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 3kdo_1_J DATA FIRST_RESID 7 DATA SEQUENCE TIYDYYVDKG YEPSKKRDII AVFRVTPAEG YTIEQAAGAV AAESSTGTWT DATA SEQUENCE TLYPWYEQER WADLSAKAYD FHDMGDGSWI VRIAYPFHAF EEANLPGLLA DATA SEQUENCE SIAGNIFGMK RVKGLRLEDL YFPEKLIREF DGPAFGIEGV RKMLEIKDRP DATA SEQUENCE IYGVVPKPKV GYSPEEFEKL AYDLLSNGAD YMXDDENLTS PWYNRFEERA DATA SEQUENCE EIMAKIIDKV ENETGEKKTW FANITADLLE MEQRLEVLAD LGLKHAMVDV DATA SEQUENCE VITGWGALRY IRDLAADYGL AIHGHRAMHA AFTRNPYHGI SMFVLAKLYR DATA SEQUENCE LIGIDQLHVG TAGAGKLEGE RDITLGFVDL LRESHYKPDE NDVFHLEQKF DATA SEQUENCE YSIKAAFPTS SGGLHPGNIQ PVIEALGTDI VLQLGGGTLG HPDGPAAGAR DATA SEQUENCE AVRQAIDAIM QGIPLDEYAK THKELARALE KWGHVTPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.759 174.700 0.098 0.000 1.109 7 T CA 0.000 62.138 62.100 0.064 0.000 1.349 7 T CB 0.000 68.891 68.868 0.038 0.000 0.612 8 I N 1.523 122.104 120.570 0.019 0.000 2.151 8 I HA -0.001 4.169 4.170 0.001 0.000 0.243 8 I C 2.505 178.839 176.117 0.363 0.000 1.080 8 I CA 2.224 63.578 61.300 0.090 0.000 1.339 8 I CB -2.087 35.865 38.000 -0.080 0.000 1.039 8 I HN 0.467 nan 8.210 nan 0.000 0.409 9 Y N 1.576 122.046 120.300 0.283 0.000 2.224 9 Y HA -0.195 4.356 4.550 0.001 0.000 0.289 9 Y C 2.552 178.669 175.900 0.361 0.000 1.146 9 Y CA 1.182 59.471 58.100 0.315 0.000 1.182 9 Y CB -1.137 37.416 38.460 0.155 0.000 0.983 9 Y HN 0.516 nan 8.280 nan 0.000 0.524 10 D N -1.376 119.264 120.400 0.401 0.000 2.263 10 D HA -0.222 4.419 4.640 0.001 0.000 0.208 10 D C 1.916 178.358 176.300 0.235 0.000 0.971 10 D CA 0.912 55.070 54.000 0.263 0.000 0.867 10 D CB -0.711 40.193 40.800 0.172 0.000 0.929 10 D HN 0.506 nan 8.370 nan 0.000 0.492 11 Y N 0.165 120.552 120.300 0.146 0.000 2.421 11 Y HA -0.223 4.327 4.550 0.001 0.000 0.292 11 Y C 1.165 176.982 175.900 -0.139 0.000 1.136 11 Y CA 1.194 59.280 58.100 -0.024 0.000 1.255 11 Y CB -0.237 38.170 38.460 -0.087 0.000 0.991 11 Y HN -0.067 nan 8.280 nan 0.000 0.552 12 Y N -0.404 120.005 120.300 0.182 0.000 2.471 12 Y HA 0.207 4.758 4.550 0.001 0.000 0.286 12 Y C 0.073 175.958 175.900 -0.025 0.000 1.188 12 Y CA -0.306 57.823 58.100 0.049 0.000 1.286 12 Y CB 0.117 38.644 38.460 0.111 0.000 1.072 12 Y HN -0.201 nan 8.280 nan 0.000 0.517 13 V N 1.219 121.190 119.914 0.095 0.000 2.350 13 V HA 0.216 4.337 4.120 0.001 0.000 0.276 13 V C -0.631 175.479 176.094 0.026 0.000 1.028 13 V CA -0.562 61.805 62.300 0.111 0.000 0.860 13 V CB 1.398 33.295 31.823 0.124 0.000 0.990 13 V HN 0.055 nan 8.190 nan 0.000 0.453 14 D N 3.795 124.244 120.400 0.083 0.000 2.330 14 D HA 0.277 4.917 4.640 0.001 0.000 0.249 14 D C 0.685 177.106 176.300 0.202 0.000 1.306 14 D CA -0.470 53.571 54.000 0.068 0.000 0.956 14 D CB 1.328 42.118 40.800 -0.017 0.000 1.261 14 D HN 0.424 nan 8.370 nan 0.000 0.544 15 K N 0.573 121.079 120.400 0.176 0.000 2.504 15 K HA 0.090 4.411 4.320 0.001 0.000 0.195 15 K C 1.666 178.380 176.600 0.190 0.000 1.036 15 K CA 0.563 56.984 56.287 0.224 0.000 0.984 15 K CB 0.534 33.107 32.500 0.123 0.000 0.788 15 K HN 0.319 nan 8.250 nan 0.000 0.488 16 G N 0.017 108.904 108.800 0.145 0.000 2.744 16 G HA2 -0.138 3.822 3.960 0.001 0.000 0.211 16 G HA3 -0.138 3.822 3.960 0.001 0.000 0.211 16 G C 0.016 174.981 174.900 0.108 0.000 1.146 16 G CA -0.229 44.932 45.100 0.102 0.000 0.787 16 G HN 0.207 nan 8.290 nan 0.000 0.534 17 Y N 1.908 122.226 120.300 0.030 0.000 2.511 17 Y HA 0.349 4.899 4.550 0.001 0.000 0.332 17 Y C -0.057 175.784 175.900 -0.099 0.000 1.177 17 Y CA -0.327 57.749 58.100 -0.040 0.000 1.422 17 Y CB 0.608 39.032 38.460 -0.060 0.000 1.271 17 Y HN 0.093 nan 8.280 nan 0.000 0.550 18 E N 8.278 127.965 120.200 -0.856 0.000 2.145 18 E HA 0.272 4.622 4.350 0.001 0.000 0.262 18 E C -2.489 173.501 176.600 -1.018 0.000 0.883 18 E CA -2.322 53.662 56.400 -0.694 0.000 0.748 18 E CB 0.982 30.460 29.700 -0.370 0.000 1.140 18 E HN 0.473 nan 8.360 nan 0.000 0.417 19 P HA -0.055 nan 4.420 nan 0.000 0.269 19 P C -0.417 176.755 177.300 -0.213 0.000 1.209 19 P CA -0.204 62.681 63.100 -0.359 0.000 0.776 19 P CB 1.105 32.615 31.700 -0.317 0.000 0.876 20 S N 1.427 117.103 115.700 -0.041 0.000 2.475 20 S HA 0.154 4.625 4.470 0.001 0.000 0.281 20 S C 1.128 175.786 174.600 0.097 0.000 1.198 20 S CA -0.644 57.566 58.200 0.017 0.000 1.063 20 S CB 0.191 63.433 63.200 0.070 0.000 0.972 20 S HN 0.259 nan 8.310 nan 0.000 0.486 21 K N 2.859 123.303 120.400 0.074 0.000 2.280 21 K HA 0.003 4.323 4.320 0.001 0.000 0.202 21 K C 1.238 178.001 176.600 0.273 0.000 1.047 21 K CA 0.846 57.222 56.287 0.149 0.000 0.942 21 K CB 0.066 32.624 32.500 0.097 0.000 0.739 21 K HN 0.446 nan 8.250 nan 0.000 0.457 22 K N 0.145 120.661 120.400 0.193 0.000 2.352 22 K HA 0.079 4.399 4.320 0.001 0.000 0.194 22 K C 1.504 178.227 176.600 0.206 0.000 1.038 22 K CA 0.598 56.983 56.287 0.163 0.000 1.023 22 K CB 0.492 33.053 32.500 0.102 0.000 0.840 22 K HN 0.144 nan 8.250 nan 0.000 0.519 23 R N 0.087 120.764 120.500 0.295 0.000 2.369 23 R HA 0.151 4.492 4.340 0.001 0.000 0.210 23 R C -0.322 176.280 176.300 0.502 0.000 0.881 23 R CA -0.063 56.321 56.100 0.474 0.000 1.031 23 R CB 0.773 31.287 30.300 0.357 0.000 1.184 23 R HN -0.013 nan 8.270 nan 0.000 0.581 24 D N 1.054 121.696 120.400 0.403 0.000 2.217 24 D HA 0.249 4.889 4.640 0.001 0.000 0.243 24 D C -0.438 176.155 176.300 0.489 0.000 1.054 24 D CA -0.476 53.770 54.000 0.409 0.000 0.838 24 D CB 1.916 42.911 40.800 0.325 0.000 1.162 24 D HN -0.160 nan 8.370 nan 0.000 0.472 25 I N 2.162 123.026 120.570 0.490 0.000 2.575 25 I HA 0.153 4.323 4.170 0.001 0.000 0.285 25 I C 0.382 176.818 176.117 0.532 0.000 1.085 25 I CA 0.051 61.642 61.300 0.485 0.000 1.403 25 I CB 0.557 38.763 38.000 0.344 0.000 1.409 25 I HN 0.165 nan 8.210 nan 0.000 0.557 26 I N 5.770 126.640 120.570 0.499 0.000 2.418 26 I HA 0.533 4.704 4.170 0.001 0.000 0.287 26 I C -0.237 176.029 176.117 0.249 0.000 1.008 26 I CA -0.699 60.850 61.300 0.414 0.000 1.104 26 I CB 1.594 39.792 38.000 0.331 0.000 1.264 26 I HN 0.598 nan 8.210 nan 0.000 0.438 27 A N 6.725 129.694 122.820 0.249 0.000 2.276 27 A HA 0.702 5.023 4.320 0.001 0.000 0.316 27 A C -0.480 176.997 177.584 -0.179 0.000 1.229 27 A CA -0.451 51.544 52.037 -0.070 0.000 0.851 27 A CB 0.904 19.845 19.000 -0.099 0.000 1.165 27 A HN 0.463 nan 8.150 nan 0.000 0.513 28 V N 3.441 123.174 119.914 -0.302 0.000 2.350 28 V HA 0.421 4.541 4.120 0.001 0.000 0.276 28 V C -0.845 175.049 176.094 -0.334 0.000 1.028 28 V CA -0.070 62.099 62.300 -0.218 0.000 0.860 28 V CB 0.096 31.851 31.823 -0.113 0.000 0.990 28 V HN 0.686 nan 8.190 nan 0.000 0.453 29 F N 3.236 123.194 119.950 0.014 0.000 2.480 29 F HA 0.601 5.128 4.527 0.001 0.000 0.329 29 F C 0.498 176.343 175.800 0.074 0.000 1.091 29 F CA -0.847 57.176 58.000 0.038 0.000 0.972 29 F CB 1.735 40.734 39.000 -0.001 0.000 1.150 29 F HN 0.310 nan 8.300 nan 0.000 0.467 30 R N 2.511 123.207 120.500 0.326 0.000 2.204 30 R HA 0.589 4.929 4.340 0.001 0.000 0.341 30 R C -1.761 174.724 176.300 0.309 0.000 1.035 30 R CA -0.269 56.011 56.100 0.299 0.000 0.887 30 R CB 0.469 30.933 30.300 0.274 0.000 1.114 30 R HN 0.543 nan 8.270 nan 0.000 0.473 31 V N 4.327 124.415 119.914 0.290 0.000 2.370 31 V HA 0.258 4.379 4.120 0.001 0.000 0.279 31 V C -0.061 176.204 176.094 0.285 0.000 1.029 31 V CA -0.508 61.931 62.300 0.232 0.000 0.870 31 V CB 1.753 33.658 31.823 0.138 0.000 0.984 31 V HN 0.741 nan 8.190 nan 0.000 0.451 32 T N 7.941 122.642 114.554 0.245 0.000 2.853 32 T HA 0.349 4.700 4.350 0.001 0.000 0.317 32 T C -2.566 172.225 174.700 0.153 0.000 1.059 32 T CA -1.220 61.013 62.100 0.222 0.000 0.954 32 T CB 1.225 70.203 68.868 0.184 0.000 0.994 32 T HN 0.400 nan 8.240 nan 0.000 0.479 33 P HA 0.255 nan 4.420 nan 0.000 0.269 33 P C -0.339 177.036 177.300 0.125 0.000 1.209 33 P CA -0.335 62.832 63.100 0.111 0.000 0.776 33 P CB 0.433 32.209 31.700 0.127 0.000 0.876 34 A N 2.705 125.594 122.820 0.115 0.000 2.406 34 A HA 0.106 4.427 4.320 0.001 0.000 0.243 34 A C 0.428 178.169 177.584 0.261 0.000 1.082 34 A CA -0.299 51.835 52.037 0.162 0.000 0.786 34 A CB -0.244 18.831 19.000 0.125 0.000 1.029 34 A HN 0.478 nan 8.150 nan 0.000 0.495 35 E N 0.034 120.343 120.200 0.180 0.000 2.529 35 E HA 0.222 4.572 4.350 0.001 0.000 0.259 35 E C 1.193 177.853 176.600 0.100 0.000 0.966 35 E CA 1.691 58.165 56.400 0.123 0.000 0.937 35 E CB 0.275 30.019 29.700 0.073 0.000 0.923 35 E HN 1.457 nan 8.360 nan 0.000 0.468 36 G N 2.964 111.762 108.800 -0.003 0.000 2.157 36 G HA2 -0.280 3.681 3.960 0.001 0.000 0.248 36 G HA3 -0.280 3.681 3.960 0.001 0.000 0.248 36 G C -0.422 174.245 174.900 -0.389 0.000 0.979 36 G CA 0.081 45.062 45.100 -0.198 0.000 0.650 36 G HN 0.420 nan 8.290 nan 0.000 0.529 37 Y N 0.880 121.195 120.300 0.025 0.000 2.425 37 Y HA 0.607 5.157 4.550 0.001 0.000 0.344 37 Y C 0.984 176.885 175.900 0.002 0.000 0.969 37 Y CA -0.209 57.903 58.100 0.019 0.000 1.052 37 Y CB 1.801 40.276 38.460 0.026 0.000 1.215 37 Y HN 0.308 nan 8.280 nan 0.000 0.451 38 T N -1.009 113.619 114.554 0.124 0.000 2.788 38 T HA 0.154 4.504 4.350 0.001 0.000 0.287 38 T C 1.017 175.694 174.700 -0.039 0.000 1.007 38 T CA -0.468 61.637 62.100 0.008 0.000 1.005 38 T CB 0.889 69.730 68.868 -0.046 0.000 1.012 38 T HN 0.628 nan 8.240 nan 0.000 0.530 39 I N 0.813 121.250 120.570 -0.222 0.000 2.286 39 I HA -0.032 4.139 4.170 0.001 0.000 0.248 39 I C 2.170 178.223 176.117 -0.105 0.000 1.115 39 I CA 1.534 62.652 61.300 -0.304 0.000 1.392 39 I CB -0.736 36.693 38.000 -0.951 0.000 1.065 39 I HN 0.790 nan 8.210 nan 0.000 0.418 40 E N 0.212 120.303 120.200 -0.182 0.000 2.077 40 E HA -0.247 4.103 4.350 0.001 0.000 0.193 40 E C 2.213 178.832 176.600 0.033 0.000 0.989 40 E CA 1.469 57.815 56.400 -0.090 0.000 0.800 40 E CB -0.314 29.259 29.700 -0.210 0.000 0.746 40 E HN 0.609 nan 8.360 nan 0.000 0.452 41 Q N -0.166 119.657 119.800 0.039 0.000 2.079 41 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 41 Q C 2.232 178.252 176.000 0.033 0.000 0.974 41 Q CA 1.389 57.256 55.803 0.107 0.000 0.840 41 Q CB -0.194 28.668 28.738 0.207 0.000 0.898 41 Q HN 0.321 nan 8.270 nan 0.000 0.430 42 A N 1.022 123.837 122.820 -0.008 0.000 1.873 42 A HA -0.085 4.235 4.320 0.001 0.000 0.215 42 A C 2.289 179.798 177.584 -0.125 0.000 1.186 42 A CA 1.531 53.511 52.037 -0.094 0.000 0.616 42 A CB -0.804 18.163 19.000 -0.054 0.000 0.823 42 A HN 0.390 nan 8.150 nan 0.000 0.442 43 A N -0.416 122.382 122.820 -0.037 0.000 1.902 43 A HA 0.130 4.450 4.320 0.001 0.000 0.217 43 A C 2.420 179.965 177.584 -0.065 0.000 1.181 43 A CA 1.910 53.919 52.037 -0.047 0.000 0.623 43 A CB -1.433 17.619 19.000 0.088 0.000 0.818 43 A HN 0.747 nan 8.150 nan 0.000 0.443 44 G N -0.384 108.423 108.800 0.013 0.000 2.440 44 G HA2 -0.055 3.906 3.960 0.001 0.000 0.218 44 G HA3 -0.055 3.906 3.960 0.001 0.000 0.218 44 G C 1.735 176.519 174.900 -0.193 0.000 1.154 44 G CA 1.578 46.711 45.100 0.055 0.000 0.767 44 G HN 0.817 nan 8.290 nan 0.000 0.552 45 A N 0.002 122.538 122.820 -0.473 0.000 1.898 45 A HA 0.112 4.432 4.320 0.001 0.000 0.216 45 A C 2.619 179.806 177.584 -0.662 0.000 1.181 45 A CA 1.773 53.158 52.037 -1.087 0.000 0.620 45 A CB -0.593 17.811 19.000 -0.995 0.000 0.819 45 A HN 0.259 nan 8.150 nan 0.000 0.442 46 V N -0.050 119.592 119.914 -0.454 0.000 2.287 46 V HA -0.275 3.846 4.120 0.001 0.000 0.248 46 V C 3.074 178.967 176.094 -0.334 0.000 1.053 46 V CA 2.071 64.112 62.300 -0.431 0.000 1.027 46 V CB -1.289 30.225 31.823 -0.515 0.000 0.646 46 V HN 0.614 nan 8.190 nan 0.000 0.447 47 A N -0.197 122.462 122.820 -0.269 0.000 1.902 47 A HA -0.106 4.215 4.320 0.001 0.000 0.217 47 A C 2.405 179.759 177.584 -0.383 0.000 1.181 47 A CA 2.189 54.099 52.037 -0.211 0.000 0.623 47 A CB -0.777 18.167 19.000 -0.093 0.000 0.818 47 A HN 0.574 nan 8.150 nan 0.000 0.443 48 A N -0.393 122.020 122.820 -0.677 0.000 1.855 48 A HA -0.121 4.199 4.320 0.001 0.000 0.215 48 A C 1.859 179.203 177.584 -0.400 0.000 1.191 48 A CA 1.540 52.952 52.037 -1.041 0.000 0.613 48 A CB -0.472 18.074 19.000 -0.756 0.000 0.829 48 A HN 0.424 nan 8.150 nan 0.000 0.442 49 E N 0.529 120.565 120.200 -0.272 0.000 2.409 49 E HA -0.092 4.258 4.350 0.001 0.000 0.198 49 E C 1.850 178.405 176.600 -0.076 0.000 1.024 49 E CA 1.180 57.508 56.400 -0.121 0.000 0.861 49 E CB -0.234 29.384 29.700 -0.137 0.000 0.788 49 E HN 0.737 nan 8.360 nan 0.000 0.521 50 S N -1.099 114.561 115.700 -0.066 0.000 2.540 50 S HA 0.113 4.584 4.470 0.001 0.000 0.218 50 S C 1.505 176.219 174.600 0.189 0.000 0.977 50 S CA 0.367 58.614 58.200 0.078 0.000 0.918 50 S CB 0.341 63.642 63.200 0.168 0.000 0.806 50 S HN 0.160 nan 8.310 nan 0.000 0.496 51 S N 1.701 117.444 115.700 0.071 0.000 3.799 51 S HA 0.210 4.680 4.470 0.001 0.000 0.170 51 S C 1.320 175.929 174.600 0.015 0.000 0.840 51 S CA 0.588 58.829 58.200 0.068 0.000 1.025 51 S CB -0.237 62.999 63.200 0.061 0.000 1.455 51 S HN 0.532 nan 8.310 nan 0.000 0.804 52 T N -0.978 113.604 114.554 0.047 0.000 3.058 52 T HA 0.510 4.861 4.350 0.001 0.000 0.278 52 T C 0.730 175.597 174.700 0.279 0.000 0.974 52 T CA 0.281 62.471 62.100 0.149 0.000 0.893 52 T CB 0.222 69.157 68.868 0.112 0.000 1.138 52 T HN 0.704 nan 8.240 nan 0.000 0.529 53 G N 0.083 108.966 108.800 0.139 0.000 2.521 53 G HA2 0.612 4.572 3.960 0.001 0.000 0.323 53 G HA3 0.612 4.572 3.960 0.001 0.000 0.323 53 G C -0.988 174.001 174.900 0.149 0.000 1.211 53 G CA -0.389 44.827 45.100 0.195 0.000 0.979 53 G HN 0.318 nan 8.290 nan 0.000 0.490 54 T N -1.706 112.943 114.554 0.159 0.000 2.681 54 T HA 0.368 4.718 4.350 0.001 0.000 0.296 54 T C 0.167 174.890 174.700 0.038 0.000 1.157 54 T CA -0.351 61.849 62.100 0.167 0.000 1.025 54 T CB 0.749 69.662 68.868 0.074 0.000 1.441 54 T HN 0.709 nan 8.240 nan 0.000 0.504 55 W N 1.109 122.406 121.300 -0.004 0.000 2.825 55 W HA 0.304 4.965 4.660 0.001 0.000 0.243 55 W C 0.258 176.634 176.519 -0.239 0.000 1.293 55 W CA 0.582 57.828 57.345 -0.166 0.000 1.403 55 W CB -1.090 28.378 29.460 0.013 0.000 1.134 55 W HN 0.578 nan 8.180 nan 0.000 0.666 56 T N 1.134 115.191 114.554 -0.828 0.000 2.864 56 T HA 0.341 4.692 4.350 0.001 0.000 0.299 56 T C -0.005 174.413 174.700 -0.469 0.000 1.166 56 T CA -0.066 61.557 62.100 -0.795 0.000 1.007 56 T CB 1.514 69.522 68.868 -1.433 0.000 1.219 56 T HN 0.013 nan 8.240 nan 0.000 0.506 57 T N 2.065 116.426 114.554 -0.322 0.000 2.926 57 T HA 0.564 4.914 4.350 0.001 0.000 0.307 57 T C 0.058 174.649 174.700 -0.182 0.000 1.059 57 T CA -0.466 61.509 62.100 -0.208 0.000 1.122 57 T CB -0.058 68.722 68.868 -0.147 0.000 0.972 57 T HN 0.488 nan 8.240 nan 0.000 0.545 58 L N 1.303 122.455 121.223 -0.118 0.000 2.323 58 L HA 0.475 4.815 4.340 0.001 0.000 0.265 58 L C -0.419 176.494 176.870 0.072 0.000 1.012 58 L CA -1.604 53.234 54.840 -0.003 0.000 0.820 58 L CB 1.548 43.634 42.059 0.046 0.000 1.334 58 L HN 0.660 nan 8.230 nan 0.000 0.427 59 Y N 3.465 123.806 120.300 0.067 0.000 2.442 59 Y HA 0.170 4.720 4.550 0.001 0.000 0.330 59 Y C -1.843 174.146 175.900 0.147 0.000 1.129 59 Y CA -1.574 56.571 58.100 0.075 0.000 1.365 59 Y CB 0.805 39.310 38.460 0.075 0.000 1.233 59 Y HN 0.237 nan 8.280 nan 0.000 0.529 60 P HA -0.018 nan 4.420 nan 0.000 0.271 60 P C -0.319 176.797 177.300 -0.306 0.000 1.380 60 P CA 0.278 63.028 63.100 -0.582 0.000 0.992 60 P CB -0.318 31.005 31.700 -0.628 0.000 1.230 61 W N 4.163 125.303 121.300 -0.265 0.000 2.518 61 W HA 0.210 4.870 4.660 0.001 0.000 0.352 61 W C -1.193 175.340 176.519 0.023 0.000 0.952 61 W CA -0.716 56.621 57.345 -0.014 0.000 1.624 61 W CB -0.823 28.739 29.460 0.169 0.000 1.135 61 W HN 0.156 nan 8.180 nan 0.000 0.540 62 Y N -0.792 119.171 120.300 -0.561 0.000 2.581 62 Y HA 0.610 5.160 4.550 0.001 0.000 0.345 62 Y C -0.135 175.569 175.900 -0.327 0.000 1.036 62 Y CA -2.178 55.565 58.100 -0.595 0.000 1.042 62 Y CB 0.459 38.322 38.460 -0.995 0.000 1.289 62 Y HN -0.052 nan 8.280 nan 0.000 0.471 63 E N 2.231 122.384 120.200 -0.078 0.000 2.292 63 E HA -0.030 4.320 4.350 0.001 0.000 0.265 63 E C 0.399 177.021 176.600 0.036 0.000 1.093 63 E CA -0.122 56.244 56.400 -0.057 0.000 0.922 63 E CB 0.747 30.443 29.700 -0.007 0.000 1.001 63 E HN 0.739 nan 8.360 nan 0.000 0.444 64 Q N 3.225 122.983 119.800 -0.069 0.000 2.061 64 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 64 Q C 1.406 177.527 176.000 0.202 0.000 0.984 64 Q CA 1.651 57.487 55.803 0.055 0.000 0.846 64 Q CB -0.051 28.646 28.738 -0.068 0.000 0.902 64 Q HN 0.590 nan 8.270 nan 0.000 0.421 65 E N 0.443 120.699 120.200 0.093 0.000 2.097 65 E HA -0.180 4.170 4.350 0.001 0.000 0.196 65 E C 1.935 178.585 176.600 0.083 0.000 1.000 65 E CA 1.228 57.675 56.400 0.079 0.000 0.804 65 E CB -0.259 29.462 29.700 0.035 0.000 0.740 65 E HN 0.237 nan 8.360 nan 0.000 0.454 66 R N -0.815 119.738 120.500 0.089 0.000 2.075 66 R HA -0.139 4.201 4.340 0.001 0.000 0.232 66 R C 2.127 178.465 176.300 0.063 0.000 1.126 66 R CA 1.389 57.525 56.100 0.060 0.000 0.963 66 R CB -0.411 29.917 30.300 0.046 0.000 0.858 66 R HN 0.355 nan 8.270 nan 0.000 0.435 67 W N 0.940 122.212 121.300 -0.045 0.000 2.354 67 W HA -0.168 4.492 4.660 0.001 0.000 0.315 67 W C 1.955 178.428 176.519 -0.075 0.000 1.206 67 W CA 2.125 59.417 57.345 -0.089 0.000 1.290 67 W CB -0.524 28.904 29.460 -0.053 0.000 1.152 67 W HN 0.152 nan 8.180 nan 0.000 0.489 68 A N -0.047 122.684 122.820 -0.149 0.000 1.933 68 A HA -0.256 4.065 4.320 0.001 0.000 0.218 68 A C 1.676 179.073 177.584 -0.311 0.000 1.175 68 A CA 2.234 54.012 52.037 -0.432 0.000 0.628 68 A CB -1.306 17.695 19.000 0.000 0.000 0.814 68 A HN 0.469 nan 8.150 nan 0.000 0.444 69 D N -0.638 119.664 120.400 -0.163 0.000 2.264 69 D HA -0.054 4.587 4.640 0.001 0.000 0.208 69 D C 1.422 177.596 176.300 -0.209 0.000 0.966 69 D CA 0.905 54.836 54.000 -0.115 0.000 0.864 69 D CB -0.099 40.693 40.800 -0.013 0.000 0.933 69 D HN 0.444 nan 8.370 nan 0.000 0.499 70 L N -0.383 120.654 121.223 -0.310 0.000 2.693 70 L HA 0.265 4.605 4.340 0.001 0.000 0.235 70 L C 0.431 177.085 176.870 -0.360 0.000 1.127 70 L CA -0.247 54.363 54.840 -0.383 0.000 0.914 70 L CB 0.445 42.284 42.059 -0.367 0.000 1.193 70 L HN -0.159 nan 8.230 nan 0.000 0.502 71 S N 0.938 116.390 115.700 -0.414 0.000 2.565 71 S HA 0.549 5.019 4.470 0.001 0.000 0.276 71 S C 0.486 174.953 174.600 -0.221 0.000 1.326 71 S CA -0.596 57.414 58.200 -0.317 0.000 1.045 71 S CB 1.572 64.446 63.200 -0.543 0.000 0.918 71 S HN 0.266 nan 8.310 nan 0.000 0.505 72 A N 3.148 125.897 122.820 -0.119 0.000 2.272 72 A HA 0.601 4.921 4.320 0.001 0.000 0.275 72 A C -0.160 177.297 177.584 -0.211 0.000 1.096 72 A CA -0.491 51.358 52.037 -0.313 0.000 0.822 72 A CB 0.361 18.951 19.000 -0.684 0.000 1.088 72 A HN 0.776 nan 8.150 nan 0.000 0.495 73 K N 0.255 120.478 120.400 -0.296 0.000 2.541 73 K HA 0.526 4.846 4.320 0.001 0.000 0.250 73 K C -0.914 175.679 176.600 -0.011 0.000 0.950 73 K CA -0.381 55.803 56.287 -0.172 0.000 0.805 73 K CB 2.186 34.473 32.500 -0.354 0.000 1.166 73 K HN 0.763 nan 8.250 nan 0.000 0.430 74 A N 3.078 125.919 122.820 0.034 0.000 2.395 74 A HA 0.212 4.533 4.320 0.001 0.000 0.286 74 A C 0.067 177.746 177.584 0.158 0.000 1.193 74 A CA -0.023 52.019 52.037 0.009 0.000 0.852 74 A CB -0.578 18.416 19.000 -0.010 0.000 1.118 74 A HN 0.945 nan 8.150 nan 0.000 0.524 75 Y N 0.482 120.808 120.300 0.043 0.000 2.467 75 Y HA 0.456 5.007 4.550 0.001 0.000 0.259 75 Y C 0.120 176.141 175.900 0.201 0.000 1.084 75 Y CA -0.205 57.997 58.100 0.170 0.000 1.275 75 Y CB 0.247 38.835 38.460 0.213 0.000 1.208 75 Y HN 0.466 nan 8.280 nan 0.000 0.511 76 D N 0.469 120.537 120.400 -0.553 0.000 2.505 76 D HA 0.439 5.079 4.640 0.001 0.000 0.249 76 D C -1.798 174.337 176.300 -0.274 0.000 1.082 76 D CA -0.375 53.459 54.000 -0.276 0.000 0.839 76 D CB 1.184 41.711 40.800 -0.456 0.000 1.317 76 D HN 0.065 nan 8.370 nan 0.000 0.497 77 F N 2.044 122.021 119.950 0.045 0.000 2.529 77 F HA 0.365 4.893 4.527 0.001 0.000 0.320 77 F C -0.488 175.524 175.800 0.353 0.000 1.118 77 F CA -0.983 57.136 58.000 0.198 0.000 0.915 77 F CB 1.945 41.026 39.000 0.135 0.000 1.161 77 F HN 0.382 nan 8.300 nan 0.000 0.445 78 H N 1.789 121.116 119.070 0.428 0.000 2.823 78 H HA 0.246 4.802 4.556 0.001 0.000 0.332 78 H C -1.227 174.067 175.328 -0.056 0.000 0.980 78 H CA -0.867 55.288 56.048 0.177 0.000 1.286 78 H CB 1.038 30.794 29.762 -0.010 0.000 1.541 78 H HN 0.493 nan 8.280 nan 0.000 0.521 79 D N 4.980 124.784 120.400 -0.994 0.000 2.382 79 D HA -0.029 4.612 4.640 0.001 0.000 0.259 79 D C 0.808 176.436 176.300 -1.120 0.000 1.224 79 D CA -0.044 52.949 54.000 -1.678 0.000 0.894 79 D CB 0.797 40.704 40.800 -1.488 0.000 1.127 79 D HN 0.569 nan 8.370 nan 0.000 0.487 80 M N 2.544 121.682 119.600 -0.770 0.000 2.506 80 M HA 0.134 4.614 4.480 0.001 0.000 0.260 80 M C 1.737 177.877 176.300 -0.267 0.000 1.104 80 M CA 0.911 55.996 55.300 -0.359 0.000 1.112 80 M CB -0.710 31.829 32.600 -0.103 0.000 1.401 80 M HN 0.743 nan 8.290 nan 0.000 0.473 81 G N 1.297 109.891 108.800 -0.344 0.000 2.268 81 G HA2 -0.277 3.683 3.960 0.001 0.000 0.240 81 G HA3 -0.277 3.683 3.960 0.001 0.000 0.240 81 G C 0.445 175.290 174.900 -0.092 0.000 1.010 81 G CA 0.619 45.599 45.100 -0.201 0.000 0.618 81 G HN 0.544 nan 8.290 nan 0.000 0.516 82 D N 0.485 120.861 120.400 -0.040 0.000 2.340 82 D HA 0.414 5.055 4.640 0.001 0.000 0.220 82 D C 1.799 178.116 176.300 0.029 0.000 1.039 82 D CA 0.957 54.976 54.000 0.031 0.000 0.866 82 D CB -0.372 40.507 40.800 0.132 0.000 0.913 82 D HN 1.727 nan 8.370 nan 0.000 0.523 83 G N -0.277 108.532 108.800 0.015 0.000 2.201 83 G HA2 -0.212 3.749 3.960 0.001 0.000 0.212 83 G HA3 -0.212 3.749 3.960 0.001 0.000 0.212 83 G C 0.324 175.334 174.900 0.184 0.000 0.994 83 G CA 0.207 45.361 45.100 0.089 0.000 0.644 83 G HN 0.815 nan 8.290 nan 0.000 0.508 84 S N -1.100 114.693 115.700 0.156 0.000 2.718 84 S HA 0.867 5.338 4.470 0.001 0.000 0.300 84 S C -0.821 173.871 174.600 0.154 0.000 1.117 84 S CA -0.703 57.672 58.200 0.292 0.000 1.002 84 S CB 2.049 65.479 63.200 0.382 0.000 1.092 84 S HN 0.646 nan 8.310 nan 0.000 0.542 85 W N -0.197 121.189 121.300 0.142 0.000 3.032 85 W HA 0.551 5.212 4.660 0.001 0.000 0.335 85 W C -1.016 175.568 176.519 0.109 0.000 1.154 85 W CA -0.915 56.497 57.345 0.111 0.000 1.204 85 W CB 1.319 30.860 29.460 0.136 0.000 1.416 85 W HN 0.463 nan 8.180 nan 0.000 0.521 86 I N 3.947 124.696 120.570 0.298 0.000 2.312 86 I HA 0.256 4.426 4.170 0.001 0.000 0.291 86 I C -0.246 175.925 176.117 0.091 0.000 1.031 86 I CA -0.831 60.572 61.300 0.172 0.000 1.293 86 I CB 0.031 38.064 38.000 0.055 0.000 1.403 86 I HN 0.053 nan 8.210 nan 0.000 0.484 87 V N 7.825 127.740 119.914 0.002 0.000 2.448 87 V HA 0.444 4.565 4.120 0.001 0.000 0.295 87 V C 0.342 176.317 176.094 -0.199 0.000 1.025 87 V CA -0.885 61.257 62.300 -0.263 0.000 0.859 87 V CB 1.851 33.467 31.823 -0.345 0.000 0.988 87 V HN 0.616 nan 8.190 nan 0.000 0.431 88 R N 4.955 125.217 120.500 -0.397 0.000 2.265 88 R HA 0.708 5.048 4.340 0.001 0.000 0.319 88 R C -1.025 175.082 176.300 -0.322 0.000 1.006 88 R CA -0.403 55.481 56.100 -0.361 0.000 0.880 88 R CB 1.517 31.469 30.300 -0.580 0.000 1.077 88 R HN 0.608 nan 8.270 nan 0.000 0.454 89 I N 1.883 122.496 120.570 0.071 0.000 2.465 89 I HA 0.419 4.590 4.170 0.001 0.000 0.291 89 I C -0.213 176.068 176.117 0.273 0.000 1.014 89 I CA -0.904 60.485 61.300 0.148 0.000 1.093 89 I CB 2.124 40.201 38.000 0.128 0.000 1.267 89 I HN 0.598 nan 8.210 nan 0.000 0.431 90 A N 6.515 129.438 122.820 0.171 0.000 2.305 90 A HA 0.776 5.097 4.320 0.001 0.000 0.322 90 A C -1.417 176.113 177.584 -0.090 0.000 1.187 90 A CA -0.269 51.876 52.037 0.180 0.000 0.825 90 A CB 0.441 19.517 19.000 0.126 0.000 1.164 90 A HN 0.652 nan 8.150 nan 0.000 0.498 91 Y N 2.583 123.002 120.300 0.198 0.000 2.391 91 Y HA 0.465 5.015 4.550 0.001 0.000 0.341 91 Y C -2.218 173.804 175.900 0.204 0.000 0.965 91 Y CA -2.604 55.607 58.100 0.184 0.000 1.067 91 Y CB 2.229 40.917 38.460 0.380 0.000 1.199 91 Y HN 0.506 nan 8.280 nan 0.000 0.450 92 P HA -0.024 nan 4.420 nan 0.000 0.271 92 P C 0.474 177.864 177.300 0.151 0.000 1.216 92 P CA -0.191 62.972 63.100 0.105 0.000 0.771 92 P CB 0.606 32.234 31.700 -0.120 0.000 0.864 93 F N 3.462 123.598 119.950 0.310 0.000 2.202 93 F HA -0.196 4.332 4.527 0.001 0.000 0.301 93 F C 1.837 177.798 175.800 0.269 0.000 1.082 93 F CA 1.350 59.536 58.000 0.309 0.000 1.313 93 F CB -1.792 37.325 39.000 0.194 0.000 1.024 93 F HN 0.427 nan 8.300 nan 0.000 0.495 94 H N -0.202 118.482 119.070 -0.643 0.000 2.547 94 H HA 0.478 5.034 4.556 0.001 0.000 0.274 94 H C 1.572 176.776 175.328 -0.208 0.000 1.024 94 H CA 0.509 56.338 56.048 -0.366 0.000 1.155 94 H CB -0.735 28.678 29.762 -0.581 0.000 1.344 94 H HN 0.438 nan 8.280 nan 0.000 0.598 95 A N 0.479 122.991 122.820 -0.513 0.000 2.072 95 A HA 0.203 4.524 4.320 0.001 0.000 0.216 95 A C 0.206 177.429 177.584 -0.601 0.000 1.156 95 A CA -0.065 51.578 52.037 -0.657 0.000 0.701 95 A CB -0.129 18.363 19.000 -0.846 0.000 0.816 95 A HN 0.191 nan 8.150 nan 0.000 0.458 96 F N -0.284 119.642 119.950 -0.040 0.000 2.483 96 F HA 0.432 4.959 4.527 0.001 0.000 0.329 96 F C 0.524 176.323 175.800 -0.001 0.000 1.064 96 F CA -1.177 56.812 58.000 -0.019 0.000 0.986 96 F CB 0.858 39.843 39.000 -0.025 0.000 1.218 96 F HN 0.103 nan 8.300 nan 0.000 0.484 97 E N 1.486 121.792 120.200 0.176 0.000 2.384 97 E HA 0.003 4.354 4.350 0.001 0.000 0.266 97 E C -0.421 176.218 176.600 0.066 0.000 1.012 97 E CA -0.334 56.121 56.400 0.092 0.000 0.901 97 E CB 0.677 30.410 29.700 0.055 0.000 0.967 97 E HN 0.685 nan 8.360 nan 0.000 0.435 98 E N 2.704 122.926 120.200 0.038 0.000 2.414 98 E HA 0.110 4.460 4.350 0.001 0.000 0.263 98 E C -0.389 176.157 176.600 -0.090 0.000 1.000 98 E CA 0.675 57.063 56.400 -0.020 0.000 0.914 98 E CB 0.332 30.022 29.700 -0.016 0.000 0.948 98 E HN 0.703 nan 8.360 nan 0.000 0.444 99 A N 4.309 127.018 122.820 -0.185 0.000 2.560 99 A HA -0.234 4.087 4.320 0.001 0.000 0.299 99 A C -0.166 177.306 177.584 -0.187 0.000 1.484 99 A CA 1.131 53.005 52.037 -0.271 0.000 0.749 99 A CB -1.678 17.176 19.000 -0.243 0.000 1.072 99 A HN 0.542 nan 8.150 nan 0.000 0.426 100 N N -0.210 118.399 118.700 -0.151 0.000 2.727 100 N HA 0.351 5.092 4.740 0.001 0.000 0.252 100 N C 0.377 175.837 175.510 -0.084 0.000 1.283 100 N CA -0.205 52.797 53.050 -0.081 0.000 0.782 100 N CB 0.558 39.029 38.487 -0.027 0.000 1.199 100 N HN 0.402 nan 8.380 nan 0.000 0.520 101 L N 4.506 125.687 121.223 -0.070 0.000 2.017 101 L HA 0.194 4.534 4.340 0.001 0.000 0.208 101 L C -0.998 175.814 176.870 -0.097 0.000 1.073 101 L CA 2.078 56.889 54.840 -0.049 0.000 0.745 101 L CB -0.890 41.233 42.059 0.106 0.000 0.894 101 L HN 0.329 nan 8.230 nan 0.000 0.432 102 P HA -0.118 nan 4.420 nan 0.000 0.216 102 P C 1.609 178.889 177.300 -0.032 0.000 1.150 102 P CA 1.824 64.913 63.100 -0.019 0.000 0.843 102 P CB -0.400 31.344 31.700 0.074 0.000 0.787 103 G N -0.098 108.695 108.800 -0.012 0.000 2.402 103 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 103 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 103 G C 1.487 176.398 174.900 0.018 0.000 1.162 103 G CA 0.442 45.555 45.100 0.022 0.000 0.777 103 G HN 0.304 nan 8.290 nan 0.000 0.539 104 L N -0.029 121.144 121.223 -0.083 0.000 2.093 104 L HA 0.118 4.458 4.340 0.001 0.000 0.208 104 L C 2.658 179.407 176.870 -0.202 0.000 1.085 104 L CA 0.921 55.613 54.840 -0.247 0.000 0.755 104 L CB -0.150 41.616 42.059 -0.488 0.000 0.904 104 L HN 0.173 nan 8.230 nan 0.000 0.435 105 L N 0.049 121.151 121.223 -0.201 0.000 2.131 105 L HA -0.151 4.190 4.340 0.001 0.000 0.210 105 L C 2.848 179.666 176.870 -0.087 0.000 1.092 105 L CA 0.937 55.650 54.840 -0.211 0.000 0.759 105 L CB -0.814 41.015 42.059 -0.384 0.000 0.903 105 L HN 0.370 nan 8.230 nan 0.000 0.435 106 A N -0.996 121.801 122.820 -0.038 0.000 2.019 106 A HA -0.168 4.153 4.320 0.001 0.000 0.219 106 A C 2.496 180.103 177.584 0.038 0.000 1.164 106 A CA 2.038 54.086 52.037 0.019 0.000 0.644 106 A CB -0.337 18.686 19.000 0.038 0.000 0.805 106 A HN 0.361 nan 8.150 nan 0.000 0.449 107 S N -0.798 114.933 115.700 0.053 0.000 2.341 107 S HA 0.045 4.515 4.470 0.001 0.000 0.216 107 S C 1.493 176.116 174.600 0.037 0.000 1.034 107 S CA 1.060 59.317 58.200 0.094 0.000 0.964 107 S CB -0.243 63.118 63.200 0.268 0.000 0.882 107 S HN 0.411 nan 8.310 nan 0.000 0.469 108 I N 1.065 121.611 120.570 -0.040 0.000 3.578 108 I HA 0.219 4.390 4.170 0.001 0.000 0.295 108 I C 1.068 177.217 176.117 0.054 0.000 1.280 108 I CA 0.222 61.504 61.300 -0.030 0.000 1.347 108 I CB 0.043 37.913 38.000 -0.217 0.000 1.051 108 I HN 0.247 nan 8.210 nan 0.000 0.460 109 A N -0.630 122.201 122.820 0.019 0.000 2.709 109 A HA 0.727 5.047 4.320 0.001 0.000 0.241 109 A C 0.857 178.569 177.584 0.213 0.000 0.879 109 A CA 0.147 52.272 52.037 0.146 0.000 1.120 109 A CB -0.715 18.409 19.000 0.206 0.000 1.226 109 A HN 0.285 nan 8.150 nan 0.000 0.468 110 G N 0.153 108.985 108.800 0.053 0.000 3.441 110 G HA2 0.239 4.199 3.960 0.001 0.000 0.195 110 G HA3 0.239 4.199 3.960 0.001 0.000 0.195 110 G C 0.763 175.714 174.900 0.086 0.000 1.633 110 G CA 0.293 45.450 45.100 0.095 0.000 0.895 110 G HN 0.193 nan 8.290 nan 0.000 0.654 111 N N 1.264 119.985 118.700 0.037 0.000 2.192 111 N HA -0.155 4.585 4.740 0.001 0.000 0.188 111 N C 2.394 177.890 175.510 -0.023 0.000 1.013 111 N CA 1.460 54.530 53.050 0.032 0.000 0.863 111 N CB -0.522 37.978 38.487 0.022 0.000 0.990 111 N HN 0.615 nan 8.380 nan 0.000 0.430 112 I N -2.221 118.253 120.570 -0.160 0.000 2.300 112 I HA -0.266 3.905 4.170 0.001 0.000 0.252 112 I C 1.433 177.406 176.117 -0.239 0.000 1.119 112 I CA 1.513 62.637 61.300 -0.293 0.000 1.384 112 I CB -0.846 36.851 38.000 -0.505 0.000 1.062 112 I HN -0.183 nan 8.210 nan 0.000 0.426 113 F N 2.321 122.265 119.950 -0.011 0.000 2.333 113 F HA 0.033 4.561 4.527 0.001 0.000 0.300 113 F C 2.481 178.369 175.800 0.146 0.000 1.083 113 F CA 1.325 59.361 58.000 0.060 0.000 1.395 113 F CB -0.716 38.301 39.000 0.029 0.000 1.056 113 F HN 0.181 nan 8.300 nan 0.000 0.529 114 G N -1.092 107.835 108.800 0.212 0.000 3.126 114 G HA2 0.166 4.127 3.960 0.001 0.000 0.224 114 G HA3 0.166 4.127 3.960 0.001 0.000 0.224 114 G C 0.622 175.557 174.900 0.057 0.000 1.142 114 G CA -0.338 44.846 45.100 0.140 0.000 0.759 114 G HN 0.057 nan 8.290 nan 0.000 0.550 115 M N 0.936 120.545 119.600 0.016 0.000 2.246 115 M HA 0.137 4.617 4.480 0.001 0.000 0.350 115 M C 1.205 177.480 176.300 -0.042 0.000 1.406 115 M CA 0.215 55.491 55.300 -0.040 0.000 1.089 115 M CB 1.199 33.733 32.600 -0.110 0.000 1.782 115 M HN 0.017 nan 8.290 nan 0.000 0.457 116 K N 1.683 122.053 120.400 -0.051 0.000 2.209 116 K HA -0.164 4.156 4.320 0.001 0.000 0.204 116 K C 1.811 178.344 176.600 -0.112 0.000 1.048 116 K CA 1.222 57.478 56.287 -0.052 0.000 0.940 116 K CB -0.093 32.385 32.500 -0.037 0.000 0.729 116 K HN 0.543 nan 8.250 nan 0.000 0.451 117 R N 1.450 121.825 120.500 -0.209 0.000 2.237 117 R HA -0.062 4.278 4.340 0.001 0.000 0.219 117 R C 0.197 176.347 176.300 -0.250 0.000 1.080 117 R CA 0.598 56.449 56.100 -0.416 0.000 0.995 117 R CB 0.134 30.140 30.300 -0.490 0.000 0.875 117 R HN 0.059 nan 8.270 nan 0.000 0.462 118 V N -1.691 118.150 119.914 -0.121 0.000 2.513 118 V HA 0.311 4.432 4.120 0.001 0.000 0.299 118 V C 0.622 176.731 176.094 0.025 0.000 1.035 118 V CA -0.921 61.360 62.300 -0.032 0.000 0.889 118 V CB 1.962 33.775 31.823 -0.017 0.000 0.988 118 V HN 0.014 nan 8.190 nan 0.000 0.440 119 K N 3.294 123.728 120.400 0.056 0.000 2.167 119 K HA 0.344 4.664 4.320 0.001 0.000 0.203 119 K C 0.715 177.363 176.600 0.081 0.000 1.052 119 K CA 1.195 57.514 56.287 0.053 0.000 0.956 119 K CB 0.116 32.647 32.500 0.052 0.000 0.735 119 K HN 1.104 nan 8.250 nan 0.000 0.451 120 G N 0.579 109.483 108.800 0.175 0.000 2.732 120 G HA2 0.489 4.450 3.960 0.001 0.000 0.296 120 G HA3 0.489 4.450 3.960 0.001 0.000 0.296 120 G C -2.408 172.725 174.900 0.389 0.000 1.448 120 G CA -0.685 44.628 45.100 0.355 0.000 0.911 120 G HN 0.057 nan 8.290 nan 0.000 0.528 121 L N 1.171 122.708 121.223 0.523 0.000 2.439 121 L HA 0.785 5.126 4.340 0.001 0.000 0.270 121 L C -0.738 176.337 176.870 0.341 0.000 0.972 121 L CA -0.834 54.189 54.840 0.305 0.000 0.836 121 L CB 1.926 44.054 42.059 0.114 0.000 1.255 121 L HN 0.490 nan 8.230 nan 0.000 0.404 122 R N 4.502 125.227 120.500 0.375 0.000 2.409 122 R HA 0.421 4.761 4.340 0.001 0.000 0.313 122 R C -1.487 175.036 176.300 0.371 0.000 0.953 122 R CA -0.929 55.373 56.100 0.337 0.000 0.849 122 R CB 1.530 31.965 30.300 0.224 0.000 1.171 122 R HN 0.655 nan 8.270 nan 0.000 0.458 123 L N 5.147 126.595 121.223 0.375 0.000 2.485 123 L HA 0.133 4.474 4.340 0.001 0.000 0.279 123 L C 1.117 178.015 176.870 0.046 0.000 1.124 123 L CA 0.748 55.643 54.840 0.092 0.000 0.888 123 L CB 0.582 42.723 42.059 0.136 0.000 1.217 123 L HN 0.560 nan 8.230 nan 0.000 0.464 124 E N 2.249 122.435 120.200 -0.023 0.000 2.140 124 E HA 0.072 4.422 4.350 0.001 0.000 0.191 124 E C -0.135 176.491 176.600 0.043 0.000 0.973 124 E CA 0.474 56.879 56.400 0.010 0.000 0.829 124 E CB 0.414 30.115 29.700 0.001 0.000 0.781 124 E HN 0.673 nan 8.360 nan 0.000 0.466 125 D N -0.890 119.499 120.400 -0.018 0.000 2.623 125 D HA 0.341 4.982 4.640 0.001 0.000 0.241 125 D C -1.949 174.317 176.300 -0.056 0.000 1.241 125 D CA -0.676 53.370 54.000 0.076 0.000 0.788 125 D CB 1.676 42.529 40.800 0.088 0.000 1.413 125 D HN -0.127 nan 8.370 nan 0.000 0.429 126 L N 3.354 124.533 121.223 -0.073 0.000 2.446 126 L HA 0.439 4.779 4.340 0.001 0.000 0.268 126 L C -1.788 174.903 176.870 -0.299 0.000 0.975 126 L CA -0.690 54.006 54.840 -0.240 0.000 0.848 126 L CB 1.175 42.977 42.059 -0.429 0.000 1.225 126 L HN 0.435 nan 8.230 nan 0.000 0.410 127 Y N 5.199 125.379 120.300 -0.199 0.000 2.327 127 Y HA 0.637 5.188 4.550 0.001 0.000 0.336 127 Y C -1.298 174.612 175.900 0.016 0.000 1.035 127 Y CA -0.295 57.738 58.100 -0.112 0.000 1.165 127 Y CB 0.684 39.168 38.460 0.039 0.000 1.181 127 Y HN 0.432 nan 8.280 nan 0.000 0.494 128 F N 7.847 127.334 119.950 -0.771 0.000 2.458 128 F HA 0.468 4.996 4.527 0.001 0.000 0.336 128 F C -2.173 173.080 175.800 -0.912 0.000 1.114 128 F CA -3.465 54.166 58.000 -0.616 0.000 0.987 128 F CB 1.274 40.065 39.000 -0.348 0.000 1.130 128 F HN 0.430 nan 8.300 nan 0.000 0.458 129 P HA 0.073 nan 4.420 nan 0.000 0.274 129 P C 0.660 177.895 177.300 -0.108 0.000 1.246 129 P CA -0.178 62.857 63.100 -0.108 0.000 0.795 129 P CB 1.105 32.865 31.700 0.100 0.000 1.006 130 E N 1.233 121.394 120.200 -0.064 0.000 2.147 130 E HA -0.272 4.079 4.350 0.001 0.000 0.199 130 E C 1.788 178.228 176.600 -0.268 0.000 1.005 130 E CA 1.568 57.836 56.400 -0.219 0.000 0.810 130 E CB -0.073 29.374 29.700 -0.422 0.000 0.736 130 E HN 0.359 nan 8.360 nan 0.000 0.460 131 K N -0.139 120.100 120.400 -0.269 0.000 2.057 131 K HA -0.181 4.139 4.320 0.001 0.000 0.207 131 K C 2.100 178.529 176.600 -0.285 0.000 1.049 131 K CA 1.225 57.313 56.287 -0.332 0.000 0.931 131 K CB -0.008 32.167 32.500 -0.542 0.000 0.714 131 K HN 0.090 nan 8.250 nan 0.000 0.440 132 L N 0.937 122.001 121.223 -0.263 0.000 2.072 132 L HA -0.123 4.218 4.340 0.001 0.000 0.205 132 L C 2.113 178.932 176.870 -0.084 0.000 1.079 132 L CA 0.913 55.585 54.840 -0.280 0.000 0.752 132 L CB -0.369 41.388 42.059 -0.503 0.000 0.906 132 L HN 0.209 nan 8.230 nan 0.000 0.436 133 I N -0.093 120.473 120.570 -0.007 0.000 2.145 133 I HA -0.330 3.840 4.170 0.001 0.000 0.244 133 I C 2.325 178.526 176.117 0.139 0.000 1.075 133 I CA 1.595 62.978 61.300 0.138 0.000 1.332 133 I CB -1.033 37.013 38.000 0.078 0.000 1.033 133 I HN 0.341 nan 8.210 nan 0.000 0.410 134 R N 0.473 120.953 120.500 -0.033 0.000 2.323 134 R HA -0.060 4.281 4.340 0.001 0.000 0.198 134 R C 1.552 177.805 176.300 -0.079 0.000 0.988 134 R CA 0.257 56.321 56.100 -0.060 0.000 1.041 134 R CB -0.073 30.138 30.300 -0.148 0.000 0.926 134 R HN 0.523 nan 8.270 nan 0.000 0.476 135 E N -0.371 119.750 120.200 -0.131 0.000 2.478 135 E HA 0.018 4.368 4.350 0.001 0.000 0.194 135 E C -0.376 175.986 176.600 -0.396 0.000 1.045 135 E CA 0.283 56.509 56.400 -0.291 0.000 0.868 135 E CB 0.274 29.718 29.700 -0.428 0.000 0.885 135 E HN 0.094 nan 8.360 nan 0.000 0.505 136 F N 0.066 119.989 119.950 -0.046 0.000 2.450 136 F HA 0.201 4.728 4.527 0.001 0.000 0.328 136 F C 1.309 177.115 175.800 0.009 0.000 1.068 136 F CA -0.755 57.245 58.000 -0.000 0.000 1.007 136 F CB 1.089 40.113 39.000 0.039 0.000 1.251 136 F HN -0.234 nan 8.300 nan 0.000 0.492 137 D N 0.194 120.728 120.400 0.223 0.000 2.380 137 D HA 0.231 4.871 4.640 0.001 0.000 0.212 137 D C 1.110 177.483 176.300 0.121 0.000 1.021 137 D CA 1.200 55.273 54.000 0.122 0.000 0.884 137 D CB 0.434 41.277 40.800 0.071 0.000 1.001 137 D HN 0.716 nan 8.370 nan 0.000 0.506 138 G N 1.477 110.369 108.800 0.154 0.000 2.782 138 G HA2 -0.207 3.753 3.960 0.001 0.000 0.228 138 G HA3 -0.207 3.753 3.960 0.001 0.000 0.228 138 G C -2.681 172.259 174.900 0.067 0.000 1.372 138 G CA -1.003 44.157 45.100 0.099 0.000 0.862 138 G HN -0.026 nan 8.290 nan 0.000 0.547 139 P HA 0.415 nan 4.420 nan 0.000 0.268 139 P C 0.789 178.116 177.300 0.046 0.000 1.204 139 P CA 0.859 63.990 63.100 0.053 0.000 0.768 139 P CB 0.973 32.695 31.700 0.037 0.000 0.842 140 A N 2.313 125.175 122.820 0.070 0.000 1.970 140 A HA -0.057 4.263 4.320 0.001 0.000 0.216 140 A C 1.346 178.826 177.584 -0.173 0.000 1.170 140 A CA 1.376 53.388 52.037 -0.043 0.000 0.645 140 A CB -1.055 17.925 19.000 -0.033 0.000 0.816 140 A HN 0.511 nan 8.150 nan 0.000 0.447 141 F N -1.111 118.826 119.950 -0.022 0.000 2.480 141 F HA 0.408 4.936 4.527 0.001 0.000 0.280 141 F C 1.767 177.559 175.800 -0.013 0.000 1.002 141 F CA 0.642 58.633 58.000 -0.016 0.000 1.325 141 F CB -0.489 38.498 39.000 -0.023 0.000 1.134 141 F HN 0.425 nan 8.300 nan 0.000 0.646 142 G N 1.342 110.253 108.800 0.186 0.000 2.801 142 G HA2 -0.297 3.664 3.960 0.001 0.000 0.244 142 G HA3 -0.297 3.664 3.960 0.001 0.000 0.244 142 G C 0.767 175.694 174.900 0.045 0.000 1.385 142 G CA -0.013 45.124 45.100 0.062 0.000 0.894 142 G HN 0.265 nan 8.290 nan 0.000 0.562 143 I N 0.396 120.880 120.570 -0.143 0.000 2.091 143 I HA -0.153 4.018 4.170 0.001 0.000 0.239 143 I C 3.351 179.390 176.117 -0.130 0.000 1.061 143 I CA 3.044 64.107 61.300 -0.395 0.000 1.317 143 I CB -0.972 36.614 38.000 -0.690 0.000 1.031 143 I HN 0.935 nan 8.210 nan 0.000 0.401 144 E N 1.121 121.271 120.200 -0.083 0.000 2.097 144 E HA -0.198 4.153 4.350 0.001 0.000 0.196 144 E C 2.295 178.938 176.600 0.071 0.000 1.000 144 E CA 1.620 58.015 56.400 -0.009 0.000 0.804 144 E CB -1.659 28.030 29.700 -0.019 0.000 0.740 144 E HN 0.679 nan 8.360 nan 0.000 0.454 145 G N -0.142 108.725 108.800 0.112 0.000 2.408 145 G HA2 -0.060 3.900 3.960 0.001 0.000 0.217 145 G HA3 -0.060 3.900 3.960 0.001 0.000 0.217 145 G C 1.916 177.009 174.900 0.321 0.000 1.150 145 G CA 1.251 46.488 45.100 0.229 0.000 0.776 145 G HN 0.476 nan 8.290 nan 0.000 0.542 146 V N 0.287 120.371 119.914 0.284 0.000 2.446 146 V HA -0.027 4.094 4.120 0.001 0.000 0.244 146 V C 2.825 179.088 176.094 0.282 0.000 1.039 146 V CA 1.297 63.769 62.300 0.288 0.000 1.045 146 V CB -0.398 31.667 31.823 0.402 0.000 0.681 146 V HN 0.251 nan 8.190 nan 0.000 0.459 147 R N 0.387 121.061 120.500 0.291 0.000 2.091 147 R HA -0.222 4.118 4.340 0.001 0.000 0.238 147 R C 2.425 178.822 176.300 0.162 0.000 1.136 147 R CA 1.892 58.133 56.100 0.234 0.000 0.959 147 R CB -0.364 30.045 30.300 0.182 0.000 0.856 147 R HN 0.477 nan 8.270 nan 0.000 0.437 148 K N 0.986 121.473 120.400 0.144 0.000 2.026 148 K HA -0.165 4.155 4.320 0.001 0.000 0.208 148 K C 2.181 178.856 176.600 0.126 0.000 1.048 148 K CA 1.575 57.932 56.287 0.118 0.000 0.929 148 K CB -0.118 32.446 32.500 0.106 0.000 0.713 148 K HN 0.102 nan 8.250 nan 0.000 0.439 149 M N 0.603 120.297 119.600 0.157 0.000 2.159 149 M HA -0.142 4.338 4.480 0.001 0.000 0.263 149 M C 1.262 177.638 176.300 0.126 0.000 1.063 149 M CA 1.605 56.992 55.300 0.144 0.000 1.110 149 M CB 0.086 32.772 32.600 0.144 0.000 1.374 149 M HN 0.216 nan 8.290 nan 0.000 0.411 150 L N -0.141 121.165 121.223 0.139 0.000 2.607 150 L HA 0.160 4.501 4.340 0.001 0.000 0.228 150 L C 0.067 176.999 176.870 0.102 0.000 1.123 150 L CA -0.032 54.883 54.840 0.124 0.000 0.890 150 L CB -0.139 42.005 42.059 0.143 0.000 1.103 150 L HN 0.324 nan 8.230 nan 0.000 0.468 151 E N 1.043 121.303 120.200 0.101 0.000 2.269 151 E HA -0.222 4.128 4.350 0.001 0.000 0.223 151 E C -0.316 176.332 176.600 0.081 0.000 1.244 151 E CA 0.330 56.779 56.400 0.082 0.000 0.713 151 E CB -1.269 28.471 29.700 0.066 0.000 1.178 151 E HN 0.466 nan 8.360 nan 0.000 0.370 152 I N 0.654 121.284 120.570 0.101 0.000 2.405 152 I HA 0.127 4.298 4.170 0.001 0.000 0.280 152 I C 1.315 177.498 176.117 0.109 0.000 1.027 152 I CA -0.517 60.843 61.300 0.100 0.000 1.161 152 I CB 1.159 39.226 38.000 0.113 0.000 1.300 152 I HN 0.015 nan 8.210 nan 0.000 0.463 153 K N 3.055 123.504 120.400 0.081 0.000 2.062 153 K HA -0.079 4.241 4.320 0.001 0.000 0.205 153 K C 0.276 176.919 176.600 0.072 0.000 1.051 153 K CA 1.789 58.118 56.287 0.070 0.000 0.941 153 K CB 0.368 32.898 32.500 0.049 0.000 0.719 153 K HN 0.631 nan 8.250 nan 0.000 0.440 154 D N -1.648 118.793 120.400 0.068 0.000 2.267 154 D HA 0.011 4.652 4.640 0.001 0.000 0.297 154 D C -0.211 176.130 176.300 0.069 0.000 1.087 154 D CA -0.187 53.849 54.000 0.061 0.000 0.864 154 D CB 0.393 41.215 40.800 0.036 0.000 1.557 154 D HN 0.139 nan 8.370 nan 0.000 0.523 155 R N 1.275 121.814 120.500 0.065 0.000 2.582 155 R HA 0.518 4.859 4.340 0.001 0.000 0.271 155 R C -2.638 173.715 176.300 0.089 0.000 1.078 155 R CA -1.431 54.702 56.100 0.054 0.000 1.127 155 R CB -0.323 29.994 30.300 0.028 0.000 1.038 155 R HN -0.230 nan 8.270 nan 0.000 0.500 156 P HA 0.003 nan 4.420 nan 0.000 0.269 156 P C -0.379 176.960 177.300 0.065 0.000 1.209 156 P CA -0.162 62.989 63.100 0.085 0.000 0.776 156 P CB 0.374 32.105 31.700 0.052 0.000 0.876 157 I N 2.502 123.079 120.570 0.012 0.000 2.575 157 I HA 0.117 4.287 4.170 0.001 0.000 0.285 157 I C 0.066 176.257 176.117 0.123 0.000 1.085 157 I CA -0.244 61.075 61.300 0.032 0.000 1.403 157 I CB -0.578 37.366 38.000 -0.093 0.000 1.409 157 I HN 0.419 nan 8.210 nan 0.000 0.557 158 Y N 4.604 124.873 120.300 -0.053 0.000 2.361 158 Y HA 0.742 5.292 4.550 0.001 0.000 0.337 158 Y C -0.248 175.290 175.900 -0.604 0.000 0.965 158 Y CA -0.777 57.206 58.100 -0.194 0.000 1.091 158 Y CB 1.708 40.067 38.460 -0.168 0.000 1.182 158 Y HN 0.676 nan 8.280 nan 0.000 0.450 159 G N 3.124 110.977 108.800 -1.578 0.000 2.708 159 G HA2 0.636 4.596 3.960 0.001 0.000 0.289 159 G HA3 0.636 4.596 3.960 0.001 0.000 0.289 159 G C -2.312 171.788 174.900 -1.333 0.000 1.416 159 G CA -0.967 42.542 45.100 -2.652 0.000 0.829 159 G HN 0.628 nan 8.290 nan 0.000 0.480 160 V N -0.145 119.231 119.914 -0.896 0.000 2.709 160 V HA 0.559 4.679 4.120 0.001 0.000 0.308 160 V C -0.403 175.623 176.094 -0.114 0.000 1.062 160 V CA -0.768 61.310 62.300 -0.370 0.000 0.901 160 V CB 1.821 33.454 31.823 -0.316 0.000 1.003 160 V HN 0.597 nan 8.190 nan 0.000 0.425 161 V N 6.014 125.926 119.914 -0.003 0.000 2.394 161 V HA 0.380 4.501 4.120 0.001 0.000 0.282 161 V C -2.300 173.826 176.094 0.054 0.000 1.031 161 V CA -2.001 60.343 62.300 0.074 0.000 0.881 161 V CB 1.776 33.670 31.823 0.119 0.000 0.982 161 V HN 0.749 nan 8.190 nan 0.000 0.451 162 P HA 0.205 nan 4.420 nan 0.000 0.268 162 P C -0.775 176.544 177.300 0.032 0.000 1.204 162 P CA -0.098 62.988 63.100 -0.023 0.000 0.768 162 P CB 0.433 32.016 31.700 -0.194 0.000 0.842 163 K N 3.323 123.727 120.400 0.006 0.000 2.397 163 K HA 0.452 4.772 4.320 0.001 0.000 0.253 163 K C -2.272 174.355 176.600 0.044 0.000 0.932 163 K CA -1.946 54.374 56.287 0.056 0.000 0.795 163 K CB 0.991 33.525 32.500 0.056 0.000 1.159 163 K HN 0.354 nan 8.250 nan 0.000 0.424 164 P HA 0.157 nan 4.420 nan 0.000 0.270 164 P C 0.269 177.683 177.300 0.189 0.000 1.223 164 P CA -0.263 62.906 63.100 0.116 0.000 0.785 164 P CB 0.959 32.717 31.700 0.097 0.000 0.923 165 K N -0.040 120.440 120.400 0.134 0.000 2.044 165 K HA -0.071 4.250 4.320 0.001 0.000 0.210 165 K C 1.152 177.844 176.600 0.153 0.000 1.049 165 K CA 1.629 57.997 56.287 0.135 0.000 0.927 165 K CB -0.552 31.986 32.500 0.065 0.000 0.713 165 K HN 0.518 nan 8.250 nan 0.000 0.443 166 V N -6.011 113.944 119.914 0.068 0.000 3.167 166 V HA 0.781 4.902 4.120 0.001 0.000 0.310 166 V C 0.480 176.492 176.094 -0.137 0.000 1.207 166 V CA -0.371 61.883 62.300 -0.076 0.000 1.059 166 V CB 1.439 33.252 31.823 -0.016 0.000 1.079 166 V HN 0.386 nan 8.190 nan 0.000 0.446 167 G N -0.009 108.552 108.800 -0.399 0.000 2.184 167 G HA2 -0.149 3.812 3.960 0.001 0.000 0.206 167 G HA3 -0.149 3.812 3.960 0.001 0.000 0.206 167 G C -0.329 174.399 174.900 -0.287 0.000 0.995 167 G CA 0.347 45.125 45.100 -0.536 0.000 0.651 167 G HN 2.286 nan 8.290 nan 0.000 0.511 168 Y N 1.569 121.807 120.300 -0.104 0.000 2.420 168 Y HA 0.828 5.378 4.550 0.001 0.000 0.334 168 Y C 0.468 176.395 175.900 0.045 0.000 1.094 168 Y CA -1.111 56.977 58.100 -0.020 0.000 1.126 168 Y CB 1.142 39.615 38.460 0.023 0.000 1.217 168 Y HN 0.503 nan 8.280 nan 0.000 0.462 169 S N 1.245 117.070 115.700 0.209 0.000 2.681 169 S HA 0.447 4.918 4.470 0.001 0.000 0.270 169 S C -2.163 172.572 174.600 0.225 0.000 1.209 169 S CA -1.273 57.009 58.200 0.137 0.000 0.988 169 S CB 1.475 64.739 63.200 0.107 0.000 1.006 169 S HN 0.579 nan 8.310 nan 0.000 0.558 170 P HA 0.029 nan 4.420 nan 0.000 0.217 170 P C 0.916 178.319 177.300 0.172 0.000 1.151 170 P CA 1.039 64.237 63.100 0.163 0.000 0.828 170 P CB -0.010 31.720 31.700 0.049 0.000 0.788 171 E N 0.087 120.350 120.200 0.105 0.000 2.047 171 E HA -0.173 4.177 4.350 0.001 0.000 0.191 171 E C 1.956 178.592 176.600 0.060 0.000 0.987 171 E CA 1.205 57.639 56.400 0.057 0.000 0.799 171 E CB -0.793 28.931 29.700 0.039 0.000 0.752 171 E HN 0.371 nan 8.360 nan 0.000 0.449 172 E N -0.176 120.087 120.200 0.105 0.000 2.085 172 E HA -0.193 4.158 4.350 0.001 0.000 0.194 172 E C 1.760 178.408 176.600 0.081 0.000 0.994 172 E CA 0.990 57.443 56.400 0.089 0.000 0.801 172 E CB -0.226 29.550 29.700 0.128 0.000 0.743 172 E HN 0.216 nan 8.360 nan 0.000 0.453 173 F N 2.016 121.970 119.950 0.008 0.000 2.234 173 F HA -0.134 4.394 4.527 0.001 0.000 0.299 173 F C 2.126 177.869 175.800 -0.095 0.000 1.087 173 F CA 1.527 59.487 58.000 -0.068 0.000 1.340 173 F CB -0.054 38.988 39.000 0.069 0.000 1.031 173 F HN -0.052 nan 8.300 nan 0.000 0.500 174 E N 0.580 120.663 120.200 -0.195 0.000 2.023 174 E HA -0.348 4.002 4.350 0.001 0.000 0.196 174 E C 2.283 178.723 176.600 -0.268 0.000 1.003 174 E CA 1.769 57.994 56.400 -0.291 0.000 0.809 174 E CB -0.254 29.361 29.700 -0.142 0.000 0.755 174 E HN 0.283 nan 8.360 nan 0.000 0.449 175 K N 0.615 120.920 120.400 -0.158 0.000 2.015 175 K HA -0.227 4.093 4.320 0.001 0.000 0.216 175 K C 2.163 178.688 176.600 -0.125 0.000 1.052 175 K CA 1.801 58.030 56.287 -0.097 0.000 0.937 175 K CB -0.877 31.585 32.500 -0.063 0.000 0.719 175 K HN 0.251 nan 8.250 nan 0.000 0.446 176 L N 0.390 121.495 121.223 -0.196 0.000 2.042 176 L HA -0.069 4.272 4.340 0.001 0.000 0.210 176 L C 2.202 178.890 176.870 -0.304 0.000 1.076 176 L CA 2.312 57.021 54.840 -0.217 0.000 0.749 176 L CB -1.051 40.882 42.059 -0.210 0.000 0.893 176 L HN 0.325 nan 8.230 nan 0.000 0.432 177 A N -1.455 121.047 122.820 -0.530 0.000 1.902 177 A HA -0.289 4.031 4.320 0.001 0.000 0.217 177 A C 2.304 179.712 177.584 -0.294 0.000 1.181 177 A CA 1.809 53.512 52.037 -0.557 0.000 0.623 177 A CB -1.221 17.197 19.000 -0.969 0.000 0.818 177 A HN 0.636 nan 8.150 nan 0.000 0.443 178 Y N 1.148 121.254 120.300 -0.324 0.000 2.224 178 Y HA -0.194 4.356 4.550 0.001 0.000 0.289 178 Y C 1.835 177.633 175.900 -0.170 0.000 1.146 178 Y CA 1.890 59.859 58.100 -0.218 0.000 1.182 178 Y CB -0.169 38.181 38.460 -0.183 0.000 0.983 178 Y HN 0.350 nan 8.280 nan 0.000 0.524 179 D N 0.070 120.341 120.400 -0.215 0.000 2.097 179 D HA -0.164 4.476 4.640 0.001 0.000 0.197 179 D C 2.339 178.489 176.300 -0.251 0.000 0.984 179 D CA 1.576 55.428 54.000 -0.247 0.000 0.826 179 D CB -0.388 40.339 40.800 -0.123 0.000 0.973 179 D HN 0.392 nan 8.370 nan 0.000 0.460 180 L N 0.328 121.418 121.223 -0.221 0.000 2.056 180 L HA -0.102 4.239 4.340 0.001 0.000 0.207 180 L C 2.562 179.302 176.870 -0.217 0.000 1.078 180 L CA 0.661 55.383 54.840 -0.197 0.000 0.749 180 L CB -0.335 41.600 42.059 -0.206 0.000 0.901 180 L HN 0.018 nan 8.230 nan 0.000 0.433 181 L N -1.234 119.838 121.223 -0.252 0.000 2.141 181 L HA -0.130 4.211 4.340 0.001 0.000 0.209 181 L C 2.576 179.311 176.870 -0.226 0.000 1.094 181 L CA 0.724 55.429 54.840 -0.225 0.000 0.763 181 L CB -0.431 41.509 42.059 -0.198 0.000 0.908 181 L HN 0.156 nan 8.230 nan 0.000 0.437 182 S N -0.336 115.166 115.700 -0.331 0.000 2.453 182 S HA -0.035 4.435 4.470 0.001 0.000 0.231 182 S C 1.346 175.819 174.600 -0.210 0.000 1.005 182 S CA 0.741 58.735 58.200 -0.343 0.000 0.949 182 S CB -0.133 62.705 63.200 -0.604 0.000 0.774 182 S HN 0.429 nan 8.310 nan 0.000 0.510 183 N N 0.194 118.789 118.700 -0.175 0.000 2.273 183 N HA 0.227 4.967 4.740 0.001 0.000 0.231 183 N C 0.902 176.383 175.510 -0.049 0.000 1.134 183 N CA 0.590 53.576 53.050 -0.107 0.000 0.856 183 N CB 1.205 39.629 38.487 -0.105 0.000 1.068 183 N HN 0.493 nan 8.380 nan 0.000 0.510 184 G N 0.012 108.787 108.800 -0.042 0.000 2.255 184 G HA2 -0.198 3.763 3.960 0.001 0.000 0.196 184 G HA3 -0.198 3.763 3.960 0.001 0.000 0.196 184 G C 0.229 175.181 174.900 0.085 0.000 0.998 184 G CA -0.079 45.034 45.100 0.022 0.000 0.656 184 G HN 0.483 nan 8.290 nan 0.000 0.490 185 A N 0.735 123.549 122.820 -0.010 0.000 2.488 185 A HA 0.529 4.849 4.320 0.001 0.000 0.249 185 A C 1.120 178.542 177.584 -0.271 0.000 1.083 185 A CA 0.864 52.731 52.037 -0.283 0.000 0.768 185 A CB 0.283 18.989 19.000 -0.490 0.000 1.017 185 A HN 0.176 nan 8.150 nan 0.000 0.496 186 D N -0.071 120.132 120.400 -0.328 0.000 2.249 186 D HA 0.096 4.736 4.640 0.001 0.000 0.205 186 D C -0.042 176.168 176.300 -0.149 0.000 0.962 186 D CA 1.863 55.771 54.000 -0.154 0.000 0.860 186 D CB 0.023 40.808 40.800 -0.025 0.000 0.955 186 D HN 0.716 nan 8.370 nan 0.000 0.505 187 Y N -2.049 118.016 120.300 -0.390 0.000 2.624 187 Y HA 0.508 5.058 4.550 0.001 0.000 0.334 187 Y C -0.917 174.712 175.900 -0.451 0.000 1.155 187 Y CA -1.433 56.385 58.100 -0.470 0.000 1.046 187 Y CB 0.623 38.575 38.460 -0.846 0.000 1.316 187 Y HN -0.397 nan 8.280 nan 0.000 0.457 191 D N 1.051 121.484 120.400 0.054 0.000 2.382 191 D HA -0.005 4.636 4.640 0.001 0.000 0.240 191 D C 1.485 177.713 176.300 -0.121 0.000 1.146 191 D CA 0.028 54.025 54.000 -0.005 0.000 0.897 191 D CB 1.048 41.864 40.800 0.026 0.000 1.197 191 D HN 0.383 nan 8.370 nan 0.000 0.432 192 E N 2.558 122.577 120.200 -0.302 0.000 2.209 192 E HA -0.247 4.103 4.350 0.001 0.000 0.196 192 E C 0.698 177.163 176.600 -0.226 0.000 0.993 192 E CA 1.083 57.206 56.400 -0.461 0.000 0.819 192 E CB -0.345 28.779 29.700 -0.960 0.000 0.745 192 E HN 0.534 nan 8.360 nan 0.000 0.477 193 N N 0.964 119.578 118.700 -0.143 0.000 2.280 193 N HA -0.001 4.739 4.740 0.001 0.000 0.192 193 N C 0.327 175.796 175.510 -0.068 0.000 1.109 193 N CA -0.245 52.754 53.050 -0.085 0.000 0.855 193 N CB -0.217 38.239 38.487 -0.052 0.000 0.974 193 N HN 0.117 nan 8.380 nan 0.000 0.482 194 L N 2.177 123.357 121.223 -0.073 0.000 2.283 194 L HA 0.335 4.676 4.340 0.001 0.000 0.287 194 L C 0.852 177.684 176.870 -0.064 0.000 1.073 194 L CA 0.099 54.888 54.840 -0.084 0.000 0.822 194 L CB 0.666 42.673 42.059 -0.087 0.000 1.186 194 L HN 0.290 nan 8.230 nan 0.000 0.436 195 T N -0.089 114.414 114.554 -0.085 0.000 2.312 195 T HA 0.282 4.633 4.350 0.001 0.000 0.175 195 T C 0.448 175.135 174.700 -0.022 0.000 0.727 195 T CA 0.286 62.363 62.100 -0.038 0.000 1.333 195 T CB 0.141 68.972 68.868 -0.062 0.000 2.928 195 T HN 0.345 nan 8.240 nan 0.000 0.403 196 S N 3.015 118.669 115.700 -0.077 0.000 2.399 196 S HA 0.452 4.922 4.470 0.001 0.000 0.198 196 S C -2.766 171.725 174.600 -0.181 0.000 1.294 196 S CA -1.213 56.939 58.200 -0.081 0.000 1.237 196 S CB 0.064 63.276 63.200 0.020 0.000 1.286 196 S HN 0.519 nan 8.310 nan 0.000 0.404 197 P HA 0.171 nan 4.420 nan 0.000 0.274 197 P C 1.610 178.588 177.300 -0.536 0.000 1.246 197 P CA -0.669 62.125 63.100 -0.510 0.000 0.795 197 P CB 0.277 31.380 31.700 -0.996 0.000 1.006 198 W N 2.005 123.162 121.300 -0.240 0.000 2.308 198 W HA -0.249 4.411 4.660 0.001 0.000 0.301 198 W C 1.395 177.858 176.519 -0.094 0.000 1.220 198 W CA 1.344 58.626 57.345 -0.104 0.000 1.240 198 W CB -2.091 27.373 29.460 0.006 0.000 1.142 198 W HN 0.410 nan 8.180 nan 0.000 0.521 199 Y N 0.137 119.881 120.300 -0.928 0.000 2.529 199 Y HA 0.353 4.903 4.550 0.001 0.000 0.290 199 Y C 0.551 176.192 175.900 -0.432 0.000 1.177 199 Y CA 0.449 58.036 58.100 -0.856 0.000 1.305 199 Y CB -0.933 36.623 38.460 -1.506 0.000 1.047 199 Y HN -0.121 nan 8.280 nan 0.000 0.522 200 N N 1.279 119.591 118.700 -0.647 0.000 2.946 200 N HA 0.095 4.835 4.740 0.001 0.000 0.213 200 N C -1.483 173.843 175.510 -0.306 0.000 1.440 200 N CA -0.247 52.561 53.050 -0.403 0.000 0.745 200 N CB 0.586 38.792 38.487 -0.468 0.000 1.471 200 N HN 0.061 nan 8.380 nan 0.000 0.569 201 R N 1.513 121.919 120.500 -0.157 0.000 2.489 201 R HA 0.074 4.415 4.340 0.001 0.000 0.287 201 R C 1.376 177.686 176.300 0.018 0.000 1.053 201 R CA -0.300 55.770 56.100 -0.050 0.000 1.036 201 R CB -0.028 30.275 30.300 0.004 0.000 0.966 201 R HN 0.472 nan 8.270 nan 0.000 0.432 202 F N 3.769 123.689 119.950 -0.050 0.000 2.087 202 F HA -0.316 4.211 4.527 0.001 0.000 0.299 202 F C 2.226 178.071 175.800 0.076 0.000 1.100 202 F CA 2.277 60.296 58.000 0.031 0.000 1.226 202 F CB 0.195 39.211 39.000 0.026 0.000 0.983 202 F HN 0.621 nan 8.300 nan 0.000 0.479 203 E N 0.410 120.774 120.200 0.274 0.000 2.204 203 E HA -0.223 4.127 4.350 0.001 0.000 0.194 203 E C 1.728 178.338 176.600 0.018 0.000 0.989 203 E CA 1.626 58.128 56.400 0.169 0.000 0.824 203 E CB -0.869 28.935 29.700 0.174 0.000 0.756 203 E HN 0.649 nan 8.360 nan 0.000 0.477 204 E N 1.064 121.260 120.200 -0.007 0.000 2.072 204 E HA -0.136 4.214 4.350 0.001 0.000 0.190 204 E C 2.352 178.897 176.600 -0.092 0.000 0.982 204 E CA 1.315 57.694 56.400 -0.035 0.000 0.803 204 E CB -0.181 29.508 29.700 -0.019 0.000 0.755 204 E HN 0.408 nan 8.360 nan 0.000 0.453 205 R N 0.672 121.078 120.500 -0.157 0.000 2.240 205 R HA 0.186 4.526 4.340 0.001 0.000 0.203 205 R C 2.101 178.104 176.300 -0.495 0.000 1.011 205 R CA 0.857 56.808 56.100 -0.248 0.000 1.007 205 R CB -0.092 30.039 30.300 -0.281 0.000 0.911 205 R HN 0.013 nan 8.270 nan 0.000 0.468 206 A N 2.055 124.635 122.820 -0.400 0.000 1.873 206 A HA -0.123 4.198 4.320 0.001 0.000 0.215 206 A C 1.889 179.369 177.584 -0.172 0.000 1.186 206 A CA 1.310 53.167 52.037 -0.299 0.000 0.616 206 A CB -0.303 18.663 19.000 -0.057 0.000 0.823 206 A HN 0.463 nan 8.150 nan 0.000 0.442 207 E N -0.301 119.833 120.200 -0.109 0.000 2.110 207 E HA -0.140 4.210 4.350 0.001 0.000 0.193 207 E C 1.843 178.381 176.600 -0.103 0.000 0.988 207 E CA 1.145 57.504 56.400 -0.069 0.000 0.804 207 E CB -0.265 29.412 29.700 -0.039 0.000 0.745 207 E HN 0.689 nan 8.360 nan 0.000 0.458 208 I N 0.540 121.024 120.570 -0.144 0.000 2.252 208 I HA -0.254 3.917 4.170 0.001 0.000 0.245 208 I C 2.289 178.286 176.117 -0.200 0.000 1.102 208 I CA 0.745 61.955 61.300 -0.150 0.000 1.385 208 I CB -0.095 37.832 38.000 -0.122 0.000 1.064 208 I HN 0.181 nan 8.210 nan 0.000 0.414 209 M N 0.174 119.584 119.600 -0.315 0.000 2.296 209 M HA -0.087 4.393 4.480 0.001 0.000 0.265 209 M C 2.532 178.748 176.300 -0.141 0.000 1.064 209 M CA 1.441 56.540 55.300 -0.336 0.000 1.109 209 M CB -1.323 30.843 32.600 -0.723 0.000 1.396 209 M HN 0.267 nan 8.290 nan 0.000 0.430 210 A N 1.384 124.148 122.820 -0.093 0.000 1.902 210 A HA -0.216 4.104 4.320 0.001 0.000 0.217 210 A C 2.247 179.817 177.584 -0.024 0.000 1.181 210 A CA 2.165 54.193 52.037 -0.016 0.000 0.623 210 A CB -0.545 18.455 19.000 0.001 0.000 0.818 210 A HN 0.629 nan 8.150 nan 0.000 0.443 211 K N -0.978 119.391 120.400 -0.052 0.000 2.076 211 K HA 0.027 4.348 4.320 0.001 0.000 0.204 211 K C 1.648 178.218 176.600 -0.050 0.000 1.051 211 K CA 1.161 57.419 56.287 -0.048 0.000 0.949 211 K CB -0.344 32.119 32.500 -0.063 0.000 0.726 211 K HN 0.232 nan 8.250 nan 0.000 0.443 212 I N 2.284 122.809 120.570 -0.074 0.000 2.208 212 I HA -0.244 3.926 4.170 0.001 0.000 0.245 212 I C 2.483 178.599 176.117 -0.002 0.000 1.097 212 I CA 1.328 62.600 61.300 -0.047 0.000 1.363 212 I CB -0.825 37.113 38.000 -0.104 0.000 1.051 212 I HN 0.252 nan 8.210 nan 0.000 0.413 213 I N 0.591 121.150 120.570 -0.018 0.000 2.179 213 I HA -0.307 3.863 4.170 0.001 0.000 0.242 213 I C 2.206 178.336 176.117 0.022 0.000 1.088 213 I CA 1.425 62.731 61.300 0.009 0.000 1.357 213 I CB -0.484 37.537 38.000 0.034 0.000 1.051 213 I HN 0.202 nan 8.210 nan 0.000 0.409 214 D N 0.904 121.315 120.400 0.017 0.000 2.104 214 D HA -0.228 4.413 4.640 0.001 0.000 0.194 214 D C 2.050 178.364 176.300 0.023 0.000 0.994 214 D CA 1.312 55.324 54.000 0.019 0.000 0.830 214 D CB -0.231 40.575 40.800 0.011 0.000 0.959 214 D HN 0.297 nan 8.370 nan 0.000 0.452 215 K N 0.754 121.169 120.400 0.025 0.000 2.002 215 K HA -0.112 4.208 4.320 0.001 0.000 0.209 215 K C 2.046 178.698 176.600 0.088 0.000 1.048 215 K CA 1.003 57.318 56.287 0.046 0.000 0.930 215 K CB -0.089 32.429 32.500 0.030 0.000 0.714 215 K HN -0.084 nan 8.250 nan 0.000 0.438 216 V N 1.822 121.797 119.914 0.102 0.000 2.490 216 V HA -0.203 3.917 4.120 0.001 0.000 0.250 216 V C 2.041 178.145 176.094 0.016 0.000 1.061 216 V CA 1.856 64.187 62.300 0.052 0.000 1.064 216 V CB -0.430 31.383 31.823 -0.017 0.000 0.670 216 V HN 0.392 nan 8.190 nan 0.000 0.461 217 E N 0.198 120.411 120.200 0.022 0.000 2.072 217 E HA -0.217 4.133 4.350 0.001 0.000 0.190 217 E C 2.089 178.701 176.600 0.020 0.000 0.982 217 E CA 1.283 57.694 56.400 0.019 0.000 0.803 217 E CB -0.219 29.497 29.700 0.026 0.000 0.755 217 E HN 0.571 nan 8.360 nan 0.000 0.453 218 N N 1.135 119.850 118.700 0.025 0.000 2.244 218 N HA -0.154 4.586 4.740 0.001 0.000 0.183 218 N C 1.318 176.841 175.510 0.022 0.000 1.016 218 N CA 1.124 54.187 53.050 0.022 0.000 0.866 218 N CB 0.172 38.671 38.487 0.021 0.000 0.980 218 N HN 0.176 nan 8.380 nan 0.000 0.430 219 E N -1.704 118.513 120.200 0.029 0.000 2.250 219 E HA -0.006 4.345 4.350 0.001 0.000 0.192 219 E C 1.183 177.788 176.600 0.008 0.000 0.986 219 E CA 1.312 57.728 56.400 0.027 0.000 0.849 219 E CB 0.211 29.944 29.700 0.055 0.000 0.797 219 E HN 0.561 nan 8.360 nan 0.000 0.482 220 T N -4.127 110.427 114.554 0.000 0.000 2.959 220 T HA 0.271 4.622 4.350 0.001 0.000 0.254 220 T C 1.601 176.301 174.700 -0.000 0.000 1.003 220 T CA 0.527 62.621 62.100 -0.010 0.000 0.950 220 T CB 0.877 69.727 68.868 -0.030 0.000 1.090 220 T HN 0.197 nan 8.240 nan 0.000 0.503 221 G N 1.213 110.017 108.800 0.007 0.000 2.184 221 G HA2 -0.237 3.724 3.960 0.001 0.000 0.264 221 G HA3 -0.237 3.724 3.960 0.001 0.000 0.264 221 G C -0.203 174.707 174.900 0.016 0.000 0.975 221 G CA 0.343 45.451 45.100 0.013 0.000 0.642 221 G HN 0.681 nan 8.290 nan 0.000 0.536 222 E N 0.617 120.824 120.200 0.011 0.000 2.204 222 E HA 0.430 4.780 4.350 0.001 0.000 0.276 222 E C 0.101 176.714 176.600 0.020 0.000 0.974 222 E CA -0.870 55.539 56.400 0.015 0.000 0.815 222 E CB 0.800 30.503 29.700 0.005 0.000 1.119 222 E HN 0.023 nan 8.360 nan 0.000 0.393 223 K N 3.048 123.469 120.400 0.035 0.000 2.368 223 K HA 0.231 4.551 4.320 0.001 0.000 0.282 223 K C -0.192 176.434 176.600 0.043 0.000 1.035 223 K CA -0.108 56.208 56.287 0.047 0.000 0.973 223 K CB 0.579 33.119 32.500 0.066 0.000 0.957 223 K HN 0.259 nan 8.250 nan 0.000 0.474 224 K N 0.958 121.384 120.400 0.044 0.000 2.350 224 K HA 0.533 4.854 4.320 0.001 0.000 0.241 224 K C 0.063 176.712 176.600 0.081 0.000 0.994 224 K CA -0.676 55.632 56.287 0.035 0.000 0.839 224 K CB 2.190 34.689 32.500 -0.001 0.000 1.244 224 K HN 0.625 nan 8.250 nan 0.000 0.443 225 T N -0.713 113.893 114.554 0.087 0.000 2.731 225 T HA 0.631 4.982 4.350 0.001 0.000 0.300 225 T C -2.098 172.693 174.700 0.152 0.000 1.283 225 T CA -0.586 61.609 62.100 0.157 0.000 1.005 225 T CB 0.858 69.874 68.868 0.247 0.000 1.420 225 T HN 0.551 nan 8.240 nan 0.000 0.503 226 W N 2.616 123.901 121.300 -0.025 0.000 3.132 226 W HA 0.622 5.282 4.660 0.001 0.000 0.337 226 W C -2.282 174.289 176.519 0.087 0.000 1.082 226 W CA -1.684 55.618 57.345 -0.073 0.000 1.242 226 W CB 0.778 30.244 29.460 0.010 0.000 1.354 226 W HN 0.409 nan 8.180 nan 0.000 0.461 227 F N 5.868 125.506 119.950 -0.520 0.000 2.464 227 F HA 0.513 5.040 4.527 0.001 0.000 0.353 227 F C 0.917 176.139 175.800 -0.964 0.000 1.191 227 F CA -1.343 56.255 58.000 -0.671 0.000 1.147 227 F CB -0.491 38.125 39.000 -0.640 0.000 1.294 227 F HN 0.460 nan 8.300 nan 0.000 0.583 228 A N 3.143 125.310 122.820 -1.088 0.000 2.302 228 A HA 0.291 4.612 4.320 0.001 0.000 0.295 228 A C 0.407 177.847 177.584 -0.240 0.000 1.235 228 A CA -0.610 50.700 52.037 -1.212 0.000 0.876 228 A CB -0.090 17.863 19.000 -1.745 0.000 1.133 228 A HN 0.553 nan 8.150 nan 0.000 0.533 229 N N 2.800 121.486 118.700 -0.025 0.000 2.402 229 N HA 0.103 4.843 4.740 0.001 0.000 0.259 229 N C 0.802 176.378 175.510 0.111 0.000 1.167 229 N CA -0.319 52.758 53.050 0.044 0.000 0.949 229 N CB 0.182 38.677 38.487 0.013 0.000 1.212 229 N HN 0.637 nan 8.380 nan 0.000 0.493 230 I N -0.213 120.332 120.570 -0.042 0.000 3.684 230 I HA 0.174 4.344 4.170 0.001 0.000 0.304 230 I C -0.030 175.972 176.117 -0.193 0.000 1.278 230 I CA -0.201 60.945 61.300 -0.257 0.000 1.272 230 I CB -0.430 37.416 38.000 -0.258 0.000 1.029 230 I HN 0.104 nan 8.210 nan 0.000 0.458 231 T N 3.564 118.049 114.554 -0.116 0.000 2.800 231 T HA 0.376 4.727 4.350 0.001 0.000 0.283 231 T C 0.209 174.851 174.700 -0.098 0.000 0.999 231 T CA 0.803 62.843 62.100 -0.100 0.000 1.176 231 T CB 0.178 68.993 68.868 -0.090 0.000 0.973 231 T HN 0.723 nan 8.240 nan 0.000 0.519 232 A N 3.732 126.501 122.820 -0.086 0.000 2.526 232 A HA 0.509 4.830 4.320 0.001 0.000 0.306 232 A C -1.249 176.304 177.584 -0.051 0.000 1.088 232 A CA -0.976 51.019 52.037 -0.071 0.000 0.600 232 A CB 0.428 19.374 19.000 -0.091 0.000 1.423 232 A HN 0.598 nan 8.150 nan 0.000 0.582 233 D N -0.043 120.333 120.400 -0.039 0.000 2.361 233 D HA 0.254 4.895 4.640 0.001 0.000 0.239 233 D C 1.453 177.742 176.300 -0.019 0.000 1.200 233 D CA -0.111 53.874 54.000 -0.024 0.000 0.915 233 D CB 0.908 41.697 40.800 -0.018 0.000 1.170 233 D HN 0.511 nan 8.370 nan 0.000 0.444 234 L N 1.723 122.945 121.223 -0.002 0.000 1.978 234 L HA -0.234 4.107 4.340 0.001 0.000 0.218 234 L C 2.212 179.099 176.870 0.028 0.000 1.075 234 L CA 1.754 56.607 54.840 0.022 0.000 0.767 234 L CB -0.613 41.457 42.059 0.018 0.000 0.890 234 L HN 0.465 nan 8.230 nan 0.000 0.434 235 L N -1.016 120.215 121.223 0.013 0.000 2.042 235 L HA -0.228 4.113 4.340 0.001 0.000 0.210 235 L C 2.551 179.418 176.870 -0.004 0.000 1.076 235 L CA 1.400 56.250 54.840 0.016 0.000 0.749 235 L CB -0.691 41.373 42.059 0.008 0.000 0.893 235 L HN 0.278 nan 8.230 nan 0.000 0.432 236 E N -0.085 120.098 120.200 -0.029 0.000 2.085 236 E HA -0.221 4.130 4.350 0.001 0.000 0.194 236 E C 2.256 178.790 176.600 -0.111 0.000 0.994 236 E CA 1.419 57.778 56.400 -0.068 0.000 0.801 236 E CB -0.206 29.447 29.700 -0.077 0.000 0.743 236 E HN 0.373 nan 8.360 nan 0.000 0.453 237 M N -0.023 119.524 119.600 -0.087 0.000 2.213 237 M HA -0.168 4.312 4.480 0.001 0.000 0.263 237 M C 1.909 178.169 176.300 -0.067 0.000 1.062 237 M CA 1.375 56.611 55.300 -0.107 0.000 1.105 237 M CB -0.273 32.292 32.600 -0.058 0.000 1.385 237 M HN 0.125 nan 8.290 nan 0.000 0.417 238 E N 0.130 120.332 120.200 0.003 0.000 2.072 238 E HA -0.207 4.144 4.350 0.001 0.000 0.191 238 E C 2.048 178.665 176.600 0.029 0.000 0.985 238 E CA 1.062 57.496 56.400 0.057 0.000 0.801 238 E CB -0.100 29.668 29.700 0.112 0.000 0.750 238 E HN 0.598 nan 8.360 nan 0.000 0.452 239 Q N 0.335 120.124 119.800 -0.017 0.000 2.124 239 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 239 Q C 2.162 178.114 176.000 -0.080 0.000 0.977 239 Q CA 1.080 56.865 55.803 -0.030 0.000 0.850 239 Q CB -0.067 28.651 28.738 -0.034 0.000 0.901 239 Q HN 0.143 nan 8.270 nan 0.000 0.429 240 R N 0.214 120.592 120.500 -0.203 0.000 2.115 240 R HA -0.017 4.323 4.340 0.001 0.000 0.226 240 R C 2.221 178.422 176.300 -0.164 0.000 1.100 240 R CA 0.712 56.572 56.100 -0.399 0.000 0.980 240 R CB -0.127 29.548 30.300 -1.042 0.000 0.875 240 R HN 0.195 nan 8.270 nan 0.000 0.445 241 L N 0.523 121.682 121.223 -0.106 0.000 2.083 241 L HA -0.177 4.164 4.340 0.001 0.000 0.209 241 L C 2.542 179.295 176.870 -0.194 0.000 1.083 241 L CA 1.341 56.162 54.840 -0.031 0.000 0.752 241 L CB -0.288 41.836 42.059 0.108 0.000 0.899 241 L HN 0.294 nan 8.230 nan 0.000 0.433 242 E N -0.119 119.971 120.200 -0.183 0.000 2.072 242 E HA -0.170 4.180 4.350 0.001 0.000 0.190 242 E C 2.258 178.742 176.600 -0.192 0.000 0.982 242 E CA 1.035 57.237 56.400 -0.330 0.000 0.803 242 E CB 0.186 29.828 29.700 -0.096 0.000 0.755 242 E HN 0.220 nan 8.360 nan 0.000 0.453 243 V N 1.567 121.463 119.914 -0.030 0.000 2.287 243 V HA -0.303 3.818 4.120 0.001 0.000 0.248 243 V C 2.462 178.604 176.094 0.079 0.000 1.053 243 V CA 1.669 64.015 62.300 0.077 0.000 1.027 243 V CB -0.463 31.506 31.823 0.244 0.000 0.646 243 V HN 0.356 nan 8.190 nan 0.000 0.447 244 L N -0.131 121.153 121.223 0.101 0.000 2.017 244 L HA -0.170 4.170 4.340 0.001 0.000 0.208 244 L C 2.740 179.597 176.870 -0.022 0.000 1.073 244 L CA 1.693 56.588 54.840 0.092 0.000 0.745 244 L CB -0.878 41.242 42.059 0.102 0.000 0.894 244 L HN 0.369 nan 8.230 nan 0.000 0.432 245 A N -0.241 122.462 122.820 -0.194 0.000 1.933 245 A HA -0.224 4.096 4.320 0.001 0.000 0.218 245 A C 1.898 179.408 177.584 -0.122 0.000 1.175 245 A CA 1.944 53.836 52.037 -0.243 0.000 0.628 245 A CB -0.499 18.068 19.000 -0.722 0.000 0.814 245 A HN 0.359 nan 8.150 nan 0.000 0.444 246 D N -0.274 120.057 120.400 -0.114 0.000 2.219 246 D HA -0.044 4.596 4.640 0.001 0.000 0.205 246 D C 1.540 177.839 176.300 -0.002 0.000 0.970 246 D CA 0.814 54.788 54.000 -0.043 0.000 0.851 246 D CB -0.133 40.649 40.800 -0.030 0.000 0.943 246 D HN 0.455 nan 8.370 nan 0.000 0.488 247 L N -0.743 120.489 121.223 0.015 0.000 2.592 247 L HA 0.200 4.540 4.340 0.001 0.000 0.227 247 L C 1.332 178.228 176.870 0.043 0.000 1.127 247 L CA 0.202 55.064 54.840 0.036 0.000 0.884 247 L CB 0.150 42.245 42.059 0.059 0.000 1.065 247 L HN 0.063 nan 8.230 nan 0.000 0.457 248 G N 0.701 109.524 108.800 0.037 0.000 2.160 248 G HA2 -0.279 3.681 3.960 0.001 0.000 0.251 248 G HA3 -0.279 3.681 3.960 0.001 0.000 0.251 248 G C 0.275 175.215 174.900 0.066 0.000 1.008 248 G CA 0.022 45.151 45.100 0.048 0.000 0.724 248 G HN 0.233 nan 8.290 nan 0.000 0.514 249 L N -1.346 119.927 121.223 0.082 0.000 2.476 249 L HA 0.423 4.764 4.340 0.001 0.000 0.255 249 L C 1.757 178.671 176.870 0.074 0.000 1.218 249 L CA 0.134 55.045 54.840 0.119 0.000 0.819 249 L CB 0.478 42.653 42.059 0.192 0.000 1.119 249 L HN 0.151 nan 8.230 nan 0.000 0.485 250 K N -1.316 119.131 120.400 0.078 0.000 2.399 250 K HA 0.204 4.525 4.320 0.001 0.000 0.196 250 K C -0.257 176.204 176.600 -0.232 0.000 1.117 250 K CA 0.034 56.292 56.287 -0.048 0.000 0.965 250 K CB 0.523 33.025 32.500 0.004 0.000 0.983 250 K HN 0.432 nan 8.250 nan 0.000 0.531 251 H N -0.531 118.502 119.070 -0.062 0.000 2.679 251 H HA 0.605 5.161 4.556 0.001 0.000 0.367 251 H C -1.408 173.827 175.328 -0.155 0.000 1.162 251 H CA -0.743 55.228 56.048 -0.128 0.000 1.181 251 H CB 2.106 31.854 29.762 -0.023 0.000 1.693 251 H HN 0.125 nan 8.280 nan 0.000 0.538 252 A N 3.087 125.881 122.820 -0.044 0.000 2.375 252 A HA 0.414 4.734 4.320 0.001 0.000 0.295 252 A C -0.809 176.725 177.584 -0.083 0.000 1.066 252 A CA -0.713 51.279 52.037 -0.074 0.000 0.722 252 A CB 0.794 19.766 19.000 -0.047 0.000 1.206 252 A HN 0.712 nan 8.150 nan 0.000 0.435 253 M N 3.643 123.185 119.600 -0.096 0.000 2.233 253 M HA 0.665 5.145 4.480 0.001 0.000 0.355 253 M C -1.692 174.568 176.300 -0.067 0.000 1.191 253 M CA -0.246 55.021 55.300 -0.055 0.000 1.101 253 M CB 0.990 33.583 32.600 -0.012 0.000 1.592 253 M HN 0.393 nan 8.290 nan 0.000 0.461 254 V N 3.935 123.796 119.914 -0.089 0.000 2.686 254 V HA 0.268 4.388 4.120 0.001 0.000 0.306 254 V C -1.120 174.894 176.094 -0.134 0.000 1.065 254 V CA -0.950 61.281 62.300 -0.114 0.000 0.894 254 V CB 2.076 33.820 31.823 -0.132 0.000 1.004 254 V HN 0.758 nan 8.190 nan 0.000 0.424 255 D N 3.381 123.710 120.400 -0.118 0.000 2.398 255 D HA 0.093 4.733 4.640 0.001 0.000 0.250 255 D C 1.329 177.529 176.300 -0.167 0.000 1.287 255 D CA 0.115 54.048 54.000 -0.112 0.000 0.992 255 D CB 1.398 42.141 40.800 -0.095 0.000 1.071 255 D HN 0.492 nan 8.370 nan 0.000 0.514 256 V N 0.731 120.479 119.914 -0.275 0.000 2.427 256 V HA -0.215 3.906 4.120 0.001 0.000 0.248 256 V C 1.913 177.812 176.094 -0.326 0.000 1.051 256 V CA 0.949 63.007 62.300 -0.403 0.000 1.048 256 V CB -0.669 30.661 31.823 -0.823 0.000 0.666 256 V HN 0.288 nan 8.190 nan 0.000 0.456 257 V N 0.439 120.225 119.914 -0.213 0.000 2.358 257 V HA -0.149 3.971 4.120 0.001 0.000 0.246 257 V C 2.511 178.560 176.094 -0.074 0.000 1.047 257 V CA 2.431 64.689 62.300 -0.070 0.000 1.035 257 V CB -0.482 31.387 31.823 0.077 0.000 0.658 257 V HN 0.460 nan 8.190 nan 0.000 0.452 258 I N -0.142 120.390 120.570 -0.063 0.000 2.315 258 I HA -0.202 3.969 4.170 0.001 0.000 0.248 258 I C 2.527 178.600 176.117 -0.072 0.000 1.117 258 I CA 1.597 62.869 61.300 -0.046 0.000 1.404 258 I CB -0.575 37.401 38.000 -0.040 0.000 1.071 258 I HN 0.299 nan 8.210 nan 0.000 0.419 259 T N 0.371 114.861 114.554 -0.106 0.000 2.684 259 T HA 0.011 4.361 4.350 0.001 0.000 0.267 259 T C 0.981 175.620 174.700 -0.102 0.000 1.036 259 T CA 1.270 63.312 62.100 -0.096 0.000 1.148 259 T CB -0.581 68.221 68.868 -0.109 0.000 0.863 259 T HN 0.672 nan 8.240 nan 0.000 0.436 260 G N -0.529 108.151 108.800 -0.199 0.000 2.707 260 G HA2 -0.144 3.816 3.960 0.001 0.000 0.686 260 G HA3 -0.144 3.816 3.960 0.001 0.000 0.686 260 G C 0.035 174.805 174.900 -0.215 0.000 1.315 260 G CA -0.295 44.650 45.100 -0.257 0.000 0.832 260 G HN 0.402 nan 8.290 nan 0.000 0.573 261 W N 0.613 121.967 121.300 0.091 0.000 2.800 261 W HA 0.284 4.944 4.660 0.001 0.000 0.249 261 W C 2.362 178.929 176.519 0.080 0.000 1.294 261 W CA 0.746 58.148 57.345 0.095 0.000 1.402 261 W CB 0.012 29.513 29.460 0.069 0.000 1.126 261 W HN 0.911 nan 8.180 nan 0.000 0.652 262 G N 0.502 109.440 108.800 0.229 0.000 2.408 262 G HA2 -0.028 3.932 3.960 0.001 0.000 0.217 262 G HA3 -0.028 3.932 3.960 0.001 0.000 0.217 262 G C 1.443 176.417 174.900 0.123 0.000 1.150 262 G CA 1.150 46.343 45.100 0.154 0.000 0.776 262 G HN 0.271 nan 8.290 nan 0.000 0.542 263 A N -0.922 121.968 122.820 0.116 0.000 2.508 263 A HA 0.535 4.855 4.320 0.001 0.000 0.250 263 A C 1.711 179.394 177.584 0.164 0.000 1.208 263 A CA -0.079 52.038 52.037 0.133 0.000 0.960 263 A CB 0.125 19.186 19.000 0.101 0.000 1.099 263 A HN 0.225 nan 8.150 nan 0.000 0.542 264 L N 0.269 121.575 121.223 0.139 0.000 2.056 264 L HA 0.010 4.350 4.340 0.001 0.000 0.207 264 L C 2.262 179.216 176.870 0.139 0.000 1.078 264 L CA 2.042 56.950 54.840 0.112 0.000 0.749 264 L CB -0.528 41.598 42.059 0.111 0.000 0.901 264 L HN 0.489 nan 8.230 nan 0.000 0.433 265 R N -2.067 118.545 120.500 0.187 0.000 2.092 265 R HA -0.229 4.111 4.340 0.001 0.000 0.231 265 R C 2.367 178.750 176.300 0.138 0.000 1.119 265 R CA 1.577 57.778 56.100 0.168 0.000 0.970 265 R CB -0.454 29.951 30.300 0.175 0.000 0.864 265 R HN 0.464 nan 8.270 nan 0.000 0.440 266 Y N 1.048 121.373 120.300 0.041 0.000 2.181 266 Y HA -0.204 4.347 4.550 0.001 0.000 0.288 266 Y C 1.928 177.832 175.900 0.007 0.000 1.146 266 Y CA 1.359 59.468 58.100 0.016 0.000 1.164 266 Y CB -0.123 38.344 38.460 0.012 0.000 0.982 266 Y HN -0.020 nan 8.280 nan 0.000 0.515 267 I N 0.776 121.329 120.570 -0.028 0.000 2.226 267 I HA -0.275 3.895 4.170 0.001 0.000 0.245 267 I C 2.616 178.661 176.117 -0.120 0.000 1.100 267 I CA 1.488 62.719 61.300 -0.115 0.000 1.374 267 I CB -1.297 36.696 38.000 -0.012 0.000 1.057 267 I HN 0.291 nan 8.210 nan 0.000 0.413 268 R N 1.412 121.884 120.500 -0.047 0.000 2.081 268 R HA -0.188 4.152 4.340 0.001 0.000 0.235 268 R C 1.605 177.873 176.300 -0.054 0.000 1.131 268 R CA 1.798 57.885 56.100 -0.022 0.000 0.960 268 R CB -0.500 29.822 30.300 0.038 0.000 0.856 268 R HN 0.309 nan 8.270 nan 0.000 0.436 269 D N 0.747 121.092 120.400 -0.090 0.000 2.144 269 D HA -0.147 4.494 4.640 0.001 0.000 0.200 269 D C 1.890 178.059 176.300 -0.220 0.000 0.978 269 D CA 0.737 54.664 54.000 -0.122 0.000 0.833 269 D CB -0.219 40.522 40.800 -0.099 0.000 0.961 269 D HN 0.146 nan 8.370 nan 0.000 0.470 270 L N 0.925 121.936 121.223 -0.354 0.000 2.027 270 L HA -0.041 4.299 4.340 0.001 0.000 0.206 270 L C 2.164 178.868 176.870 -0.275 0.000 1.074 270 L CA 1.610 56.191 54.840 -0.432 0.000 0.745 270 L CB -0.825 40.919 42.059 -0.523 0.000 0.898 270 L HN -0.031 nan 8.230 nan 0.000 0.433 271 A N -0.547 122.210 122.820 -0.105 0.000 1.883 271 A HA -0.189 4.132 4.320 0.001 0.000 0.217 271 A C 2.450 180.069 177.584 0.058 0.000 1.186 271 A CA 2.070 54.127 52.037 0.033 0.000 0.624 271 A CB -1.229 17.778 19.000 0.012 0.000 0.822 271 A HN 0.556 nan 8.150 nan 0.000 0.444 272 A N -0.031 122.796 122.820 0.012 0.000 1.902 272 A HA -0.199 4.121 4.320 0.001 0.000 0.217 272 A C 1.755 179.338 177.584 -0.002 0.000 1.181 272 A CA 1.952 54.014 52.037 0.043 0.000 0.623 272 A CB -0.670 18.330 19.000 0.000 0.000 0.818 272 A HN 0.462 nan 8.150 nan 0.000 0.443 273 D N -1.350 118.982 120.400 -0.112 0.000 2.182 273 D HA -0.140 4.501 4.640 0.001 0.000 0.201 273 D C 1.323 177.571 176.300 -0.087 0.000 0.986 273 D CA 1.228 55.130 54.000 -0.163 0.000 0.847 273 D CB -0.336 40.273 40.800 -0.318 0.000 0.942 273 D HN 0.580 nan 8.370 nan 0.000 0.467 274 Y N -0.131 120.176 120.300 0.012 0.000 2.544 274 Y HA 0.242 4.793 4.550 0.001 0.000 0.286 274 Y C 1.841 177.778 175.900 0.062 0.000 1.141 274 Y CA 0.362 58.478 58.100 0.026 0.000 1.299 274 Y CB -0.083 38.385 38.460 0.013 0.000 1.030 274 Y HN 0.020 nan 8.280 nan 0.000 0.543 275 G N 0.696 109.639 108.800 0.239 0.000 2.182 275 G HA2 -0.269 3.692 3.960 0.001 0.000 0.248 275 G HA3 -0.269 3.692 3.960 0.001 0.000 0.248 275 G C -0.318 174.773 174.900 0.318 0.000 1.042 275 G CA -0.015 45.271 45.100 0.309 0.000 0.775 275 G HN 0.258 nan 8.290 nan 0.000 0.501 276 L N 0.409 121.750 121.223 0.197 0.000 2.282 276 L HA 0.733 5.074 4.340 0.001 0.000 0.288 276 L C 0.956 177.677 176.870 -0.247 0.000 1.033 276 L CA -0.570 54.233 54.840 -0.060 0.000 0.807 276 L CB 1.734 43.796 42.059 0.005 0.000 1.209 276 L HN 0.330 nan 8.230 nan 0.000 0.423 277 A N 4.978 127.313 122.820 -0.808 0.000 2.425 277 A HA 0.567 4.888 4.320 0.001 0.000 0.249 277 A C -0.221 177.142 177.584 -0.369 0.000 1.084 277 A CA -0.191 51.351 52.037 -0.825 0.000 0.781 277 A CB 0.044 18.250 19.000 -1.324 0.000 1.019 277 A HN 0.662 nan 8.150 nan 0.000 0.490 278 I N 1.683 122.150 120.570 -0.171 0.000 2.336 278 I HA 0.209 4.379 4.170 0.001 0.000 0.292 278 I C -0.138 175.909 176.117 -0.117 0.000 0.991 278 I CA -0.326 60.908 61.300 -0.109 0.000 1.227 278 I CB 1.315 39.266 38.000 -0.082 0.000 1.366 278 I HN 0.799 nan 8.210 nan 0.000 0.466 279 H N 4.860 123.765 119.070 -0.276 0.000 2.597 279 H HA 0.508 5.064 4.556 0.001 0.000 0.303 279 H C 0.057 175.236 175.328 -0.249 0.000 1.057 279 H CA -0.429 55.382 56.048 -0.396 0.000 1.261 279 H CB 1.208 30.488 29.762 -0.804 0.000 1.397 279 H HN 0.694 nan 8.280 nan 0.000 0.461 280 G N 4.684 113.144 108.800 -0.567 0.000 2.350 280 G HA2 0.110 4.071 3.960 0.001 0.000 0.306 280 G HA3 0.110 4.071 3.960 0.001 0.000 0.306 280 G C -0.875 173.746 174.900 -0.464 0.000 1.094 280 G CA -0.410 44.412 45.100 -0.463 0.000 0.953 280 G HN 0.734 nan 8.290 nan 0.000 0.420 281 H N 2.530 121.346 119.070 -0.424 0.000 2.473 281 H HA 0.238 4.795 4.556 0.001 0.000 0.327 281 H C 0.868 175.977 175.328 -0.365 0.000 1.105 281 H CA -0.480 55.302 56.048 -0.442 0.000 1.280 281 H CB 1.384 30.951 29.762 -0.325 0.000 1.450 281 H HN 0.652 nan 8.280 nan 0.000 0.492 282 R N 2.955 123.163 120.500 -0.486 0.000 2.515 282 R HA 0.420 4.760 4.340 0.001 0.000 0.294 282 R C 0.167 176.474 176.300 0.012 0.000 1.021 282 R CA -0.444 55.514 56.100 -0.237 0.000 1.081 282 R CB 0.160 30.250 30.300 -0.349 0.000 1.263 282 R HN 0.353 nan 8.270 nan 0.000 0.557 283 A N 1.697 124.610 122.820 0.155 0.000 2.584 283 A HA 0.100 4.420 4.320 0.001 0.000 0.239 283 A C 0.913 178.525 177.584 0.047 0.000 1.043 283 A CA 1.035 53.162 52.037 0.150 0.000 0.756 283 A CB -0.160 18.931 19.000 0.152 0.000 0.963 283 A HN 0.860 nan 8.150 nan 0.000 0.511 284 M N 0.517 120.100 119.600 -0.029 0.000 3.038 284 M HA -0.285 4.195 4.480 0.001 0.000 0.218 284 M C 1.002 177.172 176.300 -0.218 0.000 0.566 284 M CA 1.910 57.167 55.300 -0.072 0.000 0.836 284 M CB -2.037 30.575 32.600 0.020 0.000 2.977 284 M HN 1.268 nan 8.290 nan 0.000 0.299 285 H N 0.005 118.906 119.070 -0.281 0.000 2.352 285 H HA 0.215 4.771 4.556 0.001 0.000 0.299 285 H C 1.721 176.565 175.328 -0.806 0.000 1.097 285 H CA 2.278 57.940 56.048 -0.644 0.000 1.311 285 H CB -0.762 28.767 29.762 -0.387 0.000 1.377 285 H HN 0.518 nan 8.280 nan 0.000 0.504 286 A N 1.203 123.217 122.820 -1.344 0.000 2.178 286 A HA 0.044 4.364 4.320 0.001 0.000 0.218 286 A C 2.590 179.909 177.584 -0.441 0.000 1.157 286 A CA 1.169 52.696 52.037 -0.850 0.000 0.689 286 A CB -1.201 17.382 19.000 -0.696 0.000 0.787 286 A HN 0.757 nan 8.150 nan 0.000 0.465 287 A N -0.590 121.994 122.820 -0.394 0.000 2.024 287 A HA 0.080 4.400 4.320 0.001 0.000 0.220 287 A C 1.533 179.111 177.584 -0.009 0.000 1.164 287 A CA 1.632 53.591 52.037 -0.130 0.000 0.643 287 A CB -0.573 18.428 19.000 0.001 0.000 0.806 287 A HN 1.244 nan 8.150 nan 0.000 0.451 288 F N -3.465 116.463 119.950 -0.038 0.000 2.925 288 F HA 0.226 4.753 4.527 0.001 0.000 0.355 288 F C 1.337 177.131 175.800 -0.011 0.000 1.073 288 F CA 0.577 58.557 58.000 -0.034 0.000 1.127 288 F CB -0.445 38.509 39.000 -0.076 0.000 1.123 288 F HN 0.022 nan 8.300 nan 0.000 0.551 289 T N -2.675 111.751 114.554 -0.213 0.000 3.040 289 T HA 0.191 4.542 4.350 0.001 0.000 0.250 289 T C 1.725 176.441 174.700 0.027 0.000 1.058 289 T CA 0.412 62.505 62.100 -0.011 0.000 0.988 289 T CB -0.100 68.762 68.868 -0.009 0.000 0.993 289 T HN 0.381 nan 8.240 nan 0.000 0.519 290 R N 1.238 121.727 120.500 -0.019 0.000 2.127 290 R HA 0.156 4.497 4.340 0.001 0.000 0.217 290 R C 0.496 176.821 176.300 0.041 0.000 1.074 290 R CA 0.220 56.324 56.100 0.008 0.000 0.991 290 R CB -0.023 30.256 30.300 -0.035 0.000 0.895 290 R HN 0.235 nan 8.270 nan 0.000 0.450 291 N N 1.239 119.982 118.700 0.071 0.000 2.411 291 N HA 0.068 4.808 4.740 0.001 0.000 0.259 291 N C -2.110 173.453 175.510 0.088 0.000 1.103 291 N CA -2.070 51.047 53.050 0.111 0.000 0.954 291 N CB 1.730 40.322 38.487 0.175 0.000 1.085 291 N HN -0.018 nan 8.380 nan 0.000 0.485 292 P HA 0.002 nan 4.420 nan 0.000 0.230 292 P C -0.069 177.095 177.300 -0.226 0.000 1.158 292 P CA 1.038 64.036 63.100 -0.170 0.000 0.769 292 P CB 0.065 31.575 31.700 -0.317 0.000 0.807 293 Y N -2.875 117.507 120.300 0.137 0.000 2.481 293 Y HA 0.309 4.859 4.550 0.001 0.000 0.247 293 Y C 0.489 176.551 175.900 0.269 0.000 1.151 293 Y CA -0.177 58.031 58.100 0.180 0.000 1.238 293 Y CB 0.287 38.840 38.460 0.154 0.000 1.179 293 Y HN -0.030 nan 8.280 nan 0.000 0.524 294 H N -0.861 118.360 119.070 0.250 0.000 3.137 294 H HA 0.552 5.108 4.556 0.001 0.000 0.336 294 H C 0.007 175.434 175.328 0.165 0.000 1.055 294 H CA -0.134 56.052 56.048 0.231 0.000 1.349 294 H CB 1.037 30.919 29.762 0.199 0.000 1.939 294 H HN 0.252 nan 8.280 nan 0.000 0.487 295 G N 2.656 111.281 108.800 -0.292 0.000 2.255 295 G HA2 -0.012 3.948 3.960 0.001 0.000 0.216 295 G HA3 -0.012 3.948 3.960 0.001 0.000 0.216 295 G C -1.501 173.348 174.900 -0.084 0.000 1.307 295 G CA -0.353 44.568 45.100 -0.298 0.000 1.162 295 G HN 0.630 nan 8.290 nan 0.000 0.494 296 I N 1.298 121.922 120.570 0.089 0.000 2.447 296 I HA 0.479 4.650 4.170 0.001 0.000 0.287 296 I C 0.648 176.921 176.117 0.260 0.000 1.023 296 I CA -0.633 60.781 61.300 0.190 0.000 1.083 296 I CB 1.914 39.986 38.000 0.120 0.000 1.245 296 I HN 0.563 nan 8.210 nan 0.000 0.434 297 S N 4.690 120.503 115.700 0.187 0.000 2.560 297 S HA 0.024 4.494 4.470 0.001 0.000 0.284 297 S C 1.133 175.819 174.600 0.144 0.000 1.327 297 S CA -0.426 57.882 58.200 0.180 0.000 1.055 297 S CB 0.561 63.886 63.200 0.209 0.000 0.868 297 S HN 0.642 nan 8.310 nan 0.000 0.506 298 M N 5.665 125.289 119.600 0.040 0.000 2.337 298 M HA -0.051 4.429 4.480 0.001 0.000 0.261 298 M C 1.137 177.202 176.300 -0.392 0.000 1.067 298 M CA 1.638 56.772 55.300 -0.277 0.000 1.074 298 M CB -0.818 31.410 32.600 -0.619 0.000 1.395 298 M HN 0.836 nan 8.290 nan 0.000 0.431 299 F N -0.845 119.009 119.950 -0.161 0.000 2.134 299 F HA -0.171 4.357 4.527 0.001 0.000 0.299 299 F C 1.829 177.568 175.800 -0.102 0.000 1.097 299 F CA 1.659 59.648 58.000 -0.018 0.000 1.264 299 F CB -0.264 38.860 39.000 0.206 0.000 1.001 299 F HN -0.025 nan 8.300 nan 0.000 0.479 300 V N 0.625 120.614 119.914 0.126 0.000 2.307 300 V HA -0.311 3.809 4.120 0.001 0.000 0.245 300 V C 2.435 178.428 176.094 -0.168 0.000 1.045 300 V CA 1.878 64.160 62.300 -0.031 0.000 1.024 300 V CB -0.739 31.078 31.823 -0.010 0.000 0.651 300 V HN 0.343 nan 8.190 nan 0.000 0.449 301 L N 0.160 121.305 121.223 -0.130 0.000 2.012 301 L HA -0.206 4.134 4.340 0.001 0.000 0.210 301 L C 2.796 179.488 176.870 -0.297 0.000 1.073 301 L CA 1.747 56.450 54.840 -0.229 0.000 0.748 301 L CB -0.942 41.090 42.059 -0.044 0.000 0.891 301 L HN 0.386 nan 8.230 nan 0.000 0.431 302 A N 0.138 122.793 122.820 -0.275 0.000 1.908 302 A HA -0.283 4.038 4.320 0.001 0.000 0.218 302 A C 2.420 179.860 177.584 -0.240 0.000 1.181 302 A CA 2.215 54.099 52.037 -0.256 0.000 0.627 302 A CB -0.487 18.270 19.000 -0.405 0.000 0.818 302 A HN 0.375 nan 8.150 nan 0.000 0.445 303 K N -0.343 119.871 120.400 -0.310 0.000 2.025 303 K HA -0.035 4.286 4.320 0.001 0.000 0.207 303 K C 1.930 178.414 176.600 -0.194 0.000 1.049 303 K CA 1.319 57.474 56.287 -0.220 0.000 0.933 303 K CB -0.316 32.025 32.500 -0.266 0.000 0.714 303 K HN 0.470 nan 8.250 nan 0.000 0.438 304 L N 0.157 121.221 121.223 -0.265 0.000 2.046 304 L HA -0.198 4.142 4.340 0.001 0.000 0.208 304 L C 2.399 179.217 176.870 -0.085 0.000 1.077 304 L CA 1.155 55.850 54.840 -0.242 0.000 0.747 304 L CB -0.568 41.335 42.059 -0.259 0.000 0.896 304 L HN 0.225 nan 8.230 nan 0.000 0.432 305 Y N -0.211 120.103 120.300 0.024 0.000 2.293 305 Y HA -0.178 4.373 4.550 0.001 0.000 0.291 305 Y C 2.784 178.648 175.900 -0.060 0.000 1.137 305 Y CA 0.928 59.024 58.100 -0.007 0.000 1.202 305 Y CB -0.625 37.794 38.460 -0.067 0.000 0.990 305 Y HN 0.109 nan 8.280 nan 0.000 0.537 306 R N 0.299 120.819 120.500 0.034 0.000 2.066 306 R HA -0.119 4.221 4.340 0.001 0.000 0.232 306 R C 2.061 178.343 176.300 -0.031 0.000 1.131 306 R CA 1.201 57.274 56.100 -0.045 0.000 0.955 306 R CB -0.473 29.727 30.300 -0.167 0.000 0.851 306 R HN 0.318 nan 8.270 nan 0.000 0.432 307 L N 0.565 121.732 121.223 -0.094 0.000 2.012 307 L HA -0.222 4.119 4.340 0.001 0.000 0.210 307 L C 2.523 179.366 176.870 -0.047 0.000 1.073 307 L CA 1.407 56.115 54.840 -0.221 0.000 0.748 307 L CB -0.413 41.151 42.059 -0.825 0.000 0.891 307 L HN 0.281 nan 8.230 nan 0.000 0.431 308 I N -0.560 120.030 120.570 0.034 0.000 2.163 308 I HA -0.212 3.958 4.170 0.001 0.000 0.243 308 I C 1.369 177.599 176.117 0.188 0.000 1.085 308 I CA 1.573 63.031 61.300 0.263 0.000 1.347 308 I CB -0.331 37.849 38.000 0.300 0.000 1.044 308 I HN 0.508 nan 8.210 nan 0.000 0.408 309 G N 0.495 109.366 108.800 0.119 0.000 2.223 309 G HA2 -0.051 3.909 3.960 0.001 0.000 0.200 309 G HA3 -0.051 3.909 3.960 0.001 0.000 0.200 309 G C -0.106 174.823 174.900 0.049 0.000 1.061 309 G CA -0.790 44.359 45.100 0.081 0.000 0.790 309 G HN 0.025 nan 8.290 nan 0.000 0.498 310 I N 1.725 122.312 120.570 0.029 0.000 2.452 310 I HA 0.190 4.361 4.170 0.001 0.000 0.287 310 I C 0.895 176.994 176.117 -0.029 0.000 1.079 310 I CA -0.245 61.034 61.300 -0.034 0.000 1.387 310 I CB 0.740 38.682 38.000 -0.096 0.000 1.404 310 I HN 0.116 nan 8.210 nan 0.000 0.522 311 D N 4.792 125.179 120.400 -0.021 0.000 2.149 311 D HA -0.063 4.578 4.640 0.001 0.000 0.201 311 D C 0.355 176.672 176.300 0.028 0.000 0.972 311 D CA 1.241 55.255 54.000 0.025 0.000 0.835 311 D CB 0.552 41.383 40.800 0.052 0.000 0.966 311 D HN 0.609 nan 8.370 nan 0.000 0.476 312 Q N 0.009 119.777 119.800 -0.054 0.000 2.347 312 Q HA 0.607 4.947 4.340 0.001 0.000 0.271 312 Q C -1.374 174.475 176.000 -0.251 0.000 1.064 312 Q CA -0.629 55.127 55.803 -0.077 0.000 0.800 312 Q CB 3.151 31.853 28.738 -0.061 0.000 1.304 312 Q HN -0.060 nan 8.270 nan 0.000 0.438 313 L N 1.337 122.438 121.223 -0.203 0.000 2.505 313 L HA 0.365 4.705 4.340 0.001 0.000 0.266 313 L C -1.200 175.563 176.870 -0.179 0.000 0.954 313 L CA -0.238 54.465 54.840 -0.228 0.000 0.852 313 L CB 1.713 43.670 42.059 -0.169 0.000 1.282 313 L HN 0.688 nan 8.230 nan 0.000 0.403 314 H N 3.929 122.804 119.070 -0.325 0.000 2.848 314 H HA 0.263 4.819 4.556 0.001 0.000 0.341 314 H C 0.548 175.739 175.328 -0.228 0.000 1.060 314 H CA 0.778 56.676 56.048 -0.249 0.000 1.444 314 H CB 1.634 31.194 29.762 -0.338 0.000 1.446 314 H HN 0.629 nan 8.280 nan 0.000 0.583 315 V N -0.251 119.638 119.914 -0.042 0.000 3.411 315 V HA 0.449 4.570 4.120 0.001 0.000 0.287 315 V C 0.782 176.937 176.094 0.101 0.000 1.543 315 V CA 0.414 62.716 62.300 0.005 0.000 1.028 315 V CB 0.477 32.367 31.823 0.111 0.000 0.840 315 V HN 1.076 nan 8.190 nan 0.000 0.435 316 G N 1.306 110.140 108.800 0.057 0.000 2.525 316 G HA2 0.084 4.044 3.960 0.001 0.000 0.685 316 G HA3 0.084 4.044 3.960 0.001 0.000 0.685 316 G C 0.109 175.041 174.900 0.054 0.000 1.290 316 G CA 0.280 45.427 45.100 0.077 0.000 0.915 316 G HN 1.307 nan 8.290 nan 0.000 0.548 317 T N -2.419 112.160 114.554 0.043 0.000 3.215 317 T HA 0.634 4.984 4.350 0.001 0.000 0.271 317 T C 1.557 176.262 174.700 0.008 0.000 1.012 317 T CA 1.536 63.645 62.100 0.015 0.000 0.899 317 T CB 0.290 69.159 68.868 0.000 0.000 1.089 317 T HN 2.646 nan 8.240 nan 0.000 0.552 318 A N 0.142 122.972 122.820 0.016 0.000 2.774 318 A HA 0.070 4.390 4.320 0.001 0.000 0.290 318 A C 1.870 179.454 177.584 -0.001 0.000 1.484 318 A CA 1.340 53.377 52.037 -0.001 0.000 0.863 318 A CB -2.069 16.925 19.000 -0.011 0.000 0.989 318 A HN 2.152 nan 8.150 nan 0.000 0.554 319 G N -3.417 105.387 108.800 0.008 0.000 2.259 319 G HA2 0.153 4.113 3.960 0.001 0.000 0.217 319 G HA3 0.153 4.113 3.960 0.001 0.000 0.217 319 G C 1.380 176.283 174.900 0.005 0.000 1.001 319 G CA 1.129 46.234 45.100 0.009 0.000 0.627 319 G HN 2.145 nan 8.290 nan 0.000 0.501 320 A N 0.662 123.477 122.820 -0.008 0.000 2.016 320 A HA 0.596 4.916 4.320 0.001 0.000 0.217 320 A C 1.841 179.407 177.584 -0.031 0.000 1.162 320 A CA 2.152 54.175 52.037 -0.023 0.000 0.662 320 A CB -0.443 18.527 19.000 -0.051 0.000 0.812 320 A HN 1.733 nan 8.150 nan 0.000 0.450 321 G N -0.661 108.127 108.800 -0.020 0.000 2.525 321 G HA2 0.381 4.342 3.960 0.001 0.000 0.287 321 G HA3 0.381 4.342 3.960 0.001 0.000 0.287 321 G C 0.670 175.575 174.900 0.008 0.000 1.350 321 G CA 0.097 45.187 45.100 -0.016 0.000 1.039 321 G HN 0.405 nan 8.290 nan 0.000 0.513 322 K N -1.367 119.042 120.400 0.014 0.000 2.418 322 K HA 0.214 4.534 4.320 0.001 0.000 0.195 322 K C 0.378 176.996 176.600 0.030 0.000 1.035 322 K CA 0.208 56.510 56.287 0.025 0.000 1.003 322 K CB -0.069 32.447 32.500 0.027 0.000 0.793 322 K HN 0.210 nan 8.250 nan 0.000 0.494 323 L N 2.080 123.325 121.223 0.035 0.000 2.334 323 L HA 0.267 4.607 4.340 0.001 0.000 0.275 323 L C 0.329 177.227 176.870 0.047 0.000 1.036 323 L CA -1.076 53.790 54.840 0.043 0.000 0.807 323 L CB 1.552 43.647 42.059 0.060 0.000 1.231 323 L HN 0.145 nan 8.230 nan 0.000 0.438 324 E N 1.816 122.043 120.200 0.045 0.000 2.452 324 E HA 0.284 4.634 4.350 0.001 0.000 0.261 324 E C -0.276 176.369 176.600 0.074 0.000 0.987 324 E CA 0.358 56.788 56.400 0.049 0.000 0.926 324 E CB 1.059 30.782 29.700 0.038 0.000 0.934 324 E HN 0.774 nan 8.360 nan 0.000 0.452 325 G N 2.079 110.918 108.800 0.064 0.000 1.787 325 G HA2 0.345 4.305 3.960 0.001 0.000 0.235 325 G HA3 0.345 4.305 3.960 0.001 0.000 0.235 325 G C -0.289 174.634 174.900 0.038 0.000 1.736 325 G CA -0.095 45.052 45.100 0.078 0.000 0.927 325 G HN 0.656 nan 8.290 nan 0.000 0.646 326 E N 1.792 122.001 120.200 0.016 0.000 2.391 326 E HA 0.548 4.898 4.350 0.001 0.000 0.255 326 E C 1.349 177.927 176.600 -0.036 0.000 1.187 326 E CA 0.309 56.703 56.400 -0.010 0.000 0.941 326 E CB 0.695 30.384 29.700 -0.019 0.000 1.010 326 E HN 0.810 nan 8.360 nan 0.000 0.458 327 R N -0.651 119.830 120.500 -0.033 0.000 2.055 327 R HA -0.126 4.215 4.340 0.001 0.000 0.228 327 R C 1.559 177.819 176.300 -0.067 0.000 1.143 327 R CA 1.748 57.824 56.100 -0.039 0.000 0.945 327 R CB -0.239 30.048 30.300 -0.021 0.000 0.841 327 R HN 0.762 nan 8.270 nan 0.000 0.429 328 D N 0.650 121.015 120.400 -0.058 0.000 2.104 328 D HA -0.168 4.472 4.640 0.001 0.000 0.194 328 D C 1.945 178.163 176.300 -0.137 0.000 0.994 328 D CA 1.356 55.319 54.000 -0.062 0.000 0.830 328 D CB -0.195 40.590 40.800 -0.025 0.000 0.959 328 D HN 0.311 nan 8.370 nan 0.000 0.452 329 I N 0.784 121.238 120.570 -0.193 0.000 2.163 329 I HA -0.273 3.898 4.170 0.001 0.000 0.243 329 I C 2.298 177.927 176.117 -0.813 0.000 1.085 329 I CA 1.216 62.268 61.300 -0.412 0.000 1.347 329 I CB -0.498 37.322 38.000 -0.300 0.000 1.044 329 I HN -0.003 nan 8.210 nan 0.000 0.408 330 T N 1.328 115.591 114.554 -0.484 0.000 2.720 330 T HA -0.203 4.148 4.350 0.001 0.000 0.268 330 T C 1.868 176.417 174.700 -0.251 0.000 1.037 330 T CA 1.352 63.247 62.100 -0.340 0.000 1.144 330 T CB -0.410 68.417 68.868 -0.069 0.000 0.864 330 T HN 0.177 nan 8.240 nan 0.000 0.444 331 L N 1.576 122.694 121.223 -0.175 0.000 2.079 331 L HA 0.060 4.400 4.340 0.001 0.000 0.210 331 L C 2.507 179.337 176.870 -0.066 0.000 1.081 331 L CA 1.934 56.725 54.840 -0.080 0.000 0.752 331 L CB -1.221 40.810 42.059 -0.046 0.000 0.896 331 L HN 0.291 nan 8.230 nan 0.000 0.433 332 G N -1.047 107.661 108.800 -0.154 0.000 2.421 332 G HA2 -0.282 3.678 3.960 0.001 0.000 0.216 332 G HA3 -0.282 3.678 3.960 0.001 0.000 0.216 332 G C 1.352 176.254 174.900 0.004 0.000 1.171 332 G CA 0.936 46.018 45.100 -0.029 0.000 0.775 332 G HN 0.396 nan 8.290 nan 0.000 0.543 333 F N 0.910 120.837 119.950 -0.038 0.000 2.102 333 F HA -0.048 4.480 4.527 0.001 0.000 0.298 333 F C 2.892 178.596 175.800 -0.160 0.000 1.105 333 F CA 0.108 58.005 58.000 -0.172 0.000 1.239 333 F CB -1.300 37.627 39.000 -0.122 0.000 0.991 333 F HN -0.022 nan 8.300 nan 0.000 0.474 334 V N 0.497 120.465 119.914 0.089 0.000 2.252 334 V HA -0.312 3.808 4.120 0.001 0.000 0.249 334 V C 2.179 178.273 176.094 0.001 0.000 1.056 334 V CA 2.283 64.602 62.300 0.031 0.000 1.022 334 V CB -0.644 31.197 31.823 0.029 0.000 0.641 334 V HN 0.207 nan 8.190 nan 0.000 0.445 335 D N -0.308 120.118 120.400 0.043 0.000 2.123 335 D HA -0.160 4.481 4.640 0.001 0.000 0.196 335 D C 1.921 178.259 176.300 0.064 0.000 0.992 335 D CA 1.131 55.195 54.000 0.106 0.000 0.833 335 D CB -0.394 40.555 40.800 0.248 0.000 0.954 335 D HN 0.323 nan 8.370 nan 0.000 0.455 336 L N 0.345 121.513 121.223 -0.092 0.000 2.191 336 L HA -0.072 4.269 4.340 0.001 0.000 0.212 336 L C 2.004 178.651 176.870 -0.371 0.000 1.103 336 L CA 1.204 55.837 54.840 -0.343 0.000 0.769 336 L CB -0.218 41.406 42.059 -0.724 0.000 0.908 336 L HN 0.041 nan 8.230 nan 0.000 0.438 337 L N -1.763 119.297 121.223 -0.272 0.000 2.307 337 L HA -0.006 4.335 4.340 0.001 0.000 0.211 337 L C 2.399 179.092 176.870 -0.296 0.000 1.099 337 L CA 0.541 55.204 54.840 -0.295 0.000 0.816 337 L CB -0.174 41.782 42.059 -0.172 0.000 0.952 337 L HN 0.185 nan 8.230 nan 0.000 0.455 338 R N -0.546 119.830 120.500 -0.206 0.000 2.167 338 R HA 0.122 4.463 4.340 0.001 0.000 0.201 338 R C 0.274 176.489 176.300 -0.140 0.000 1.024 338 R CA -0.101 55.897 56.100 -0.170 0.000 1.053 338 R CB 0.270 30.503 30.300 -0.113 0.000 0.987 338 R HN 0.271 nan 8.270 nan 0.000 0.493 339 E N 1.210 121.365 120.200 -0.074 0.000 2.392 339 E HA -0.033 4.317 4.350 0.001 0.000 0.264 339 E C 0.643 177.263 176.600 0.032 0.000 1.024 339 E CA 0.137 56.554 56.400 0.028 0.000 0.903 339 E CB 1.093 30.892 29.700 0.164 0.000 0.963 339 E HN 0.166 nan 8.360 nan 0.000 0.432 340 S N 1.910 117.664 115.700 0.090 0.000 2.478 340 S HA -0.104 4.367 4.470 0.001 0.000 0.222 340 S C 0.550 175.296 174.600 0.243 0.000 1.008 340 S CA 0.384 58.666 58.200 0.136 0.000 0.928 340 S CB 0.024 63.271 63.200 0.079 0.000 0.781 340 S HN 0.663 nan 8.310 nan 0.000 0.518 341 H N -0.152 118.997 119.070 0.132 0.000 3.036 341 H HA 0.396 4.953 4.556 0.001 0.000 0.295 341 H C -1.577 173.854 175.328 0.171 0.000 1.124 341 H CA -1.139 54.977 56.048 0.114 0.000 1.507 341 H CB 0.531 30.297 29.762 0.007 0.000 1.591 341 H HN 0.361 nan 8.280 nan 0.000 0.510 342 Y N 4.920 125.455 120.300 0.392 0.000 2.319 342 Y HA 0.340 4.890 4.550 0.001 0.000 0.328 342 Y C -0.983 175.105 175.900 0.312 0.000 1.133 342 Y CA -0.223 58.064 58.100 0.312 0.000 1.265 342 Y CB 0.599 39.259 38.460 0.333 0.000 1.218 342 Y HN 0.464 nan 8.280 nan 0.000 0.508 343 K N 8.443 128.448 120.400 -0.658 0.000 2.507 343 K HA 0.351 4.671 4.320 0.001 0.000 0.251 343 K C -2.794 173.352 176.600 -0.757 0.000 0.943 343 K CA -1.993 53.977 56.287 -0.528 0.000 0.794 343 K CB 1.978 34.342 32.500 -0.226 0.000 1.188 343 K HN 0.496 nan 8.250 nan 0.000 0.428 344 P HA 0.096 nan 4.420 nan 0.000 0.274 344 P C -0.755 176.491 177.300 -0.091 0.000 1.237 344 P CA -0.372 62.631 63.100 -0.161 0.000 0.793 344 P CB 0.616 32.379 31.700 0.104 0.000 0.977 345 D N 0.506 120.891 120.400 -0.024 0.000 2.400 345 D HA 0.077 4.717 4.640 0.001 0.000 0.238 345 D C 1.809 178.089 176.300 -0.032 0.000 1.157 345 D CA 0.311 54.295 54.000 -0.026 0.000 0.889 345 D CB 0.227 41.028 40.800 0.001 0.000 1.199 345 D HN 0.533 nan 8.370 nan 0.000 0.436 346 E N 1.989 122.164 120.200 -0.041 0.000 2.130 346 E HA -0.269 4.082 4.350 0.001 0.000 0.196 346 E C 1.169 177.733 176.600 -0.061 0.000 0.998 346 E CA 1.801 58.173 56.400 -0.048 0.000 0.806 346 E CB -0.891 28.784 29.700 -0.041 0.000 0.738 346 E HN 0.615 nan 8.360 nan 0.000 0.459 347 N N 0.319 118.988 118.700 -0.052 0.000 2.336 347 N HA 0.006 4.747 4.740 0.001 0.000 0.189 347 N C -0.188 175.262 175.510 -0.101 0.000 1.113 347 N CA 0.534 53.541 53.050 -0.072 0.000 0.858 347 N CB 0.178 38.639 38.487 -0.043 0.000 0.970 347 N HN 0.298 nan 8.380 nan 0.000 0.471 348 D N 1.127 121.482 120.400 -0.074 0.000 2.336 348 D HA 0.021 4.661 4.640 0.001 0.000 0.249 348 D C 1.158 177.315 176.300 -0.237 0.000 1.213 348 D CA -0.337 53.621 54.000 -0.071 0.000 0.870 348 D CB 1.381 42.230 40.800 0.083 0.000 1.076 348 D HN 0.050 nan 8.370 nan 0.000 0.483 349 V N 2.016 121.624 119.914 -0.511 0.000 3.649 349 V HA 0.168 4.289 4.120 0.001 0.000 0.275 349 V C 0.991 176.654 176.094 -0.717 0.000 1.281 349 V CA 0.350 62.241 62.300 -0.682 0.000 1.143 349 V CB -0.942 30.344 31.823 -0.896 0.000 0.892 349 V HN 0.289 nan 8.190 nan 0.000 0.441 350 F N 0.511 120.213 119.950 -0.414 0.000 2.622 350 F HA 0.431 4.959 4.527 0.001 0.000 0.288 350 F C 1.177 176.532 175.800 -0.741 0.000 1.120 350 F CA -0.235 57.376 58.000 -0.648 0.000 1.423 350 F CB -0.159 38.262 39.000 -0.964 0.000 1.127 350 F HN 0.320 nan 8.300 nan 0.000 0.588 351 H N -0.515 118.513 119.070 -0.069 0.000 2.679 351 H HA 0.678 5.234 4.556 0.001 0.000 0.367 351 H C -0.742 174.618 175.328 0.052 0.000 1.162 351 H CA -0.891 55.081 56.048 -0.127 0.000 1.181 351 H CB 1.911 31.491 29.762 -0.303 0.000 1.693 351 H HN -0.190 nan 8.280 nan 0.000 0.538 352 L N 0.729 122.122 121.223 0.283 0.000 2.333 352 L HA 0.315 4.655 4.340 0.001 0.000 0.269 352 L C 0.329 177.422 176.870 0.371 0.000 1.010 352 L CA -0.932 54.045 54.840 0.229 0.000 0.818 352 L CB 1.898 44.034 42.059 0.129 0.000 1.306 352 L HN 0.637 nan 8.230 nan 0.000 0.430 353 E N 1.757 122.099 120.200 0.237 0.000 2.452 353 E HA -0.031 4.320 4.350 0.001 0.000 0.261 353 E C -0.905 175.909 176.600 0.355 0.000 0.987 353 E CA 0.140 56.702 56.400 0.270 0.000 0.926 353 E CB 0.697 30.498 29.700 0.168 0.000 0.934 353 E HN 0.404 nan 8.360 nan 0.000 0.452 354 Q N 3.344 123.356 119.800 0.354 0.000 2.269 354 Q HA 0.249 4.589 4.340 0.001 0.000 0.263 354 Q C -1.776 174.135 176.000 -0.148 0.000 0.983 354 Q CA -0.577 55.290 55.803 0.107 0.000 0.777 354 Q CB 1.217 29.942 28.738 -0.023 0.000 1.273 354 Q HN 0.338 nan 8.270 nan 0.000 0.440 355 K N 3.417 123.601 120.400 -0.359 0.000 2.205 355 K HA 0.307 4.628 4.320 0.001 0.000 0.279 355 K C -0.361 175.965 176.600 -0.456 0.000 1.027 355 K CA -0.179 55.778 56.287 -0.551 0.000 0.932 355 K CB 0.707 32.669 32.500 -0.897 0.000 1.032 355 K HN 0.607 nan 8.250 nan 0.000 0.466 356 F N 1.570 121.409 119.950 -0.184 0.000 2.678 356 F HA 0.097 4.625 4.527 0.001 0.000 0.305 356 F C 0.206 176.071 175.800 0.108 0.000 1.090 356 F CA -0.261 57.739 58.000 0.000 0.000 1.272 356 F CB -0.181 38.813 39.000 -0.011 0.000 1.060 356 F HN 0.644 nan 8.300 nan 0.000 0.576 357 Y N -1.109 119.260 120.300 0.115 0.000 2.831 357 Y HA -0.511 4.039 4.550 0.001 0.000 0.469 357 Y C 2.080 178.033 175.900 0.088 0.000 1.152 357 Y CA 1.277 59.421 58.100 0.074 0.000 2.680 357 Y CB -1.952 36.528 38.460 0.033 0.000 1.183 357 Y HN -0.060 nan 8.280 nan 0.000 0.623 358 S N 0.659 116.524 115.700 0.275 0.000 2.710 358 S HA 0.197 4.667 4.470 0.001 0.000 0.224 358 S C 0.014 174.689 174.600 0.125 0.000 0.948 358 S CA -0.200 58.091 58.200 0.151 0.000 0.949 358 S CB -0.791 62.473 63.200 0.107 0.000 0.778 358 S HN 0.253 nan 8.310 nan 0.000 0.498 359 I N 3.519 124.191 120.570 0.170 0.000 2.363 359 I HA 0.165 4.335 4.170 0.001 0.000 0.292 359 I C 0.652 176.790 176.117 0.036 0.000 1.075 359 I CA -0.060 61.319 61.300 0.131 0.000 1.333 359 I CB 0.323 38.464 38.000 0.235 0.000 1.415 359 I HN 0.158 nan 8.210 nan 0.000 0.502 360 K N 4.045 124.448 120.400 0.005 0.000 2.440 360 K HA 0.231 4.551 4.320 0.001 0.000 0.270 360 K C 0.413 176.953 176.600 -0.101 0.000 0.980 360 K CA -0.247 56.017 56.287 -0.037 0.000 0.953 360 K CB 0.547 33.032 32.500 -0.024 0.000 0.925 360 K HN 0.739 nan 8.250 nan 0.000 0.497 361 A N 1.271 124.014 122.820 -0.128 0.000 2.351 361 A HA 0.494 4.815 4.320 0.001 0.000 0.257 361 A C -0.280 177.207 177.584 -0.162 0.000 1.087 361 A CA -0.258 51.666 52.037 -0.187 0.000 0.798 361 A CB 0.542 19.429 19.000 -0.190 0.000 1.033 361 A HN 0.719 nan 8.150 nan 0.000 0.488 362 A N 0.778 123.496 122.820 -0.170 0.000 2.320 362 A HA 0.670 4.991 4.320 0.001 0.000 0.334 362 A C -0.796 176.751 177.584 -0.062 0.000 1.147 362 A CA -0.460 51.520 52.037 -0.095 0.000 0.820 362 A CB 0.400 19.344 19.000 -0.092 0.000 1.218 362 A HN 0.736 nan 8.150 nan 0.000 0.482 363 F N 2.646 122.555 119.950 -0.068 0.000 2.434 363 F HA 0.367 4.895 4.527 0.001 0.000 0.358 363 F C -2.057 173.694 175.800 -0.082 0.000 1.136 363 F CA -2.353 55.615 58.000 -0.054 0.000 1.157 363 F CB 0.783 39.767 39.000 -0.027 0.000 1.167 363 F HN 0.244 nan 8.300 nan 0.000 0.539 364 P HA 0.075 nan 4.420 nan 0.000 0.268 364 P C -0.700 176.620 177.300 0.034 0.000 1.204 364 P CA 0.183 63.328 63.100 0.074 0.000 0.768 364 P CB 0.561 32.303 31.700 0.068 0.000 0.842 365 T N 1.905 116.395 114.554 -0.107 0.000 2.792 365 T HA 0.379 4.729 4.350 0.001 0.000 0.280 365 T C -0.287 174.277 174.700 -0.225 0.000 0.990 365 T CA -0.388 61.573 62.100 -0.232 0.000 0.960 365 T CB 0.697 69.264 68.868 -0.501 0.000 0.939 365 T HN 0.154 nan 8.240 nan 0.000 0.439 366 S N 2.613 118.240 115.700 -0.122 0.000 2.433 366 S HA 0.727 5.198 4.470 0.001 0.000 0.310 366 S C -0.540 174.042 174.600 -0.030 0.000 1.097 366 S CA -0.476 57.691 58.200 -0.055 0.000 1.103 366 S CB 0.608 63.798 63.200 -0.017 0.000 0.992 366 S HN 0.728 nan 8.310 nan 0.000 0.469 367 S N 3.227 118.940 115.700 0.022 0.000 2.570 367 S HA 0.807 5.278 4.470 0.001 0.000 0.270 367 S C -0.551 174.103 174.600 0.089 0.000 1.149 367 S CA 0.305 58.555 58.200 0.083 0.000 0.837 367 S CB 1.176 64.493 63.200 0.196 0.000 1.124 367 S HN 2.072 nan 8.310 nan 0.000 0.465 368 G N 0.961 109.804 108.800 0.070 0.000 3.224 368 G HA2 0.445 4.405 3.960 0.001 0.000 0.684 368 G HA3 0.445 4.405 3.960 0.001 0.000 0.684 368 G C 0.930 175.834 174.900 0.008 0.000 1.180 368 G CA 0.381 45.513 45.100 0.054 0.000 1.099 368 G HN 2.242 nan 8.290 nan 0.000 0.476 369 G N -0.664 108.130 108.800 -0.011 0.000 2.198 369 G HA2 0.018 3.978 3.960 0.001 0.000 0.260 369 G HA3 0.018 3.978 3.960 0.001 0.000 0.260 369 G C 0.321 175.153 174.900 -0.113 0.000 1.025 369 G CA 0.777 45.851 45.100 -0.043 0.000 0.769 369 G HN 1.518 nan 8.290 nan 0.000 0.507 370 L N 0.676 121.819 121.223 -0.133 0.000 2.357 370 L HA 0.852 5.192 4.340 0.001 0.000 0.273 370 L C 0.508 177.213 176.870 -0.275 0.000 1.080 370 L CA -0.876 53.829 54.840 -0.225 0.000 0.803 370 L CB 1.389 43.368 42.059 -0.133 0.000 1.174 370 L HN 0.602 nan 8.230 nan 0.000 0.443 371 H N -0.098 118.808 119.070 -0.272 0.000 2.990 371 H HA 0.466 5.023 4.556 0.001 0.000 0.336 371 H C -2.642 172.566 175.328 -0.200 0.000 1.306 371 H CA -2.044 53.772 56.048 -0.386 0.000 1.118 371 H CB 0.290 29.584 29.762 -0.780 0.000 1.856 371 H HN 0.210 nan 8.280 nan 0.000 0.538 372 P HA -0.017 nan 4.420 nan 0.000 0.224 372 P C 0.991 178.359 177.300 0.112 0.000 1.142 372 P CA 2.134 65.279 63.100 0.074 0.000 0.778 372 P CB -0.019 31.758 31.700 0.128 0.000 0.764 373 G N -0.665 108.384 108.800 0.413 0.000 3.393 373 G HA2 -0.006 3.954 3.960 0.001 0.000 0.255 373 G HA3 -0.006 3.954 3.960 0.001 0.000 0.255 373 G C 0.549 175.440 174.900 -0.015 0.000 1.097 373 G CA -0.108 45.073 45.100 0.136 0.000 0.780 373 G HN 0.313 nan 8.290 nan 0.000 0.540 374 N N 0.021 118.518 118.700 -0.340 0.000 2.193 374 N HA 0.007 4.747 4.740 0.001 0.000 0.236 374 N C 1.099 176.489 175.510 -0.199 0.000 1.347 374 N CA -0.231 52.634 53.050 -0.308 0.000 0.812 374 N CB -0.767 37.370 38.487 -0.584 0.000 1.297 374 N HN 0.417 nan 8.380 nan 0.000 0.499 375 I N -4.217 116.268 120.570 -0.143 0.000 3.875 375 I HA 0.317 4.487 4.170 0.001 0.000 0.329 375 I C 1.796 177.884 176.117 -0.049 0.000 1.295 375 I CA 0.118 61.360 61.300 -0.096 0.000 1.129 375 I CB -0.096 37.845 38.000 -0.100 0.000 1.008 375 I HN 0.060 nan 8.210 nan 0.000 0.413 376 Q N 2.586 122.375 119.800 -0.019 0.000 1.994 376 Q HA 0.030 4.371 4.340 0.001 0.000 0.198 376 Q C -0.024 175.973 176.000 -0.005 0.000 0.976 376 Q CA 1.789 57.593 55.803 0.001 0.000 0.828 376 Q CB -2.520 26.243 28.738 0.043 0.000 0.894 376 Q HN 0.439 nan 8.270 nan 0.000 0.432 377 P HA -0.144 nan 4.420 nan 0.000 0.215 377 P C 1.609 178.902 177.300 -0.012 0.000 1.157 377 P CA 1.721 64.818 63.100 -0.005 0.000 0.874 377 P CB -0.209 31.489 31.700 -0.003 0.000 0.790 378 V N 0.194 120.096 119.914 -0.020 0.000 2.219 378 V HA -0.268 3.853 4.120 0.001 0.000 0.248 378 V C 2.390 178.478 176.094 -0.010 0.000 1.053 378 V CA 1.970 64.259 62.300 -0.018 0.000 1.009 378 V CB -1.332 30.474 31.823 -0.028 0.000 0.636 378 V HN 0.050 nan 8.190 nan 0.000 0.445 379 I N 0.344 120.906 120.570 -0.013 0.000 2.530 379 I HA -0.216 3.954 4.170 0.001 0.000 0.257 379 I C 2.839 178.953 176.117 -0.005 0.000 1.179 379 I CA 1.548 62.844 61.300 -0.007 0.000 1.440 379 I CB -0.920 37.070 38.000 -0.016 0.000 1.087 379 I HN 0.545 nan 8.210 nan 0.000 0.440 380 E N 1.440 121.635 120.200 -0.008 0.000 2.028 380 E HA -0.062 4.288 4.350 0.001 0.000 0.190 380 E C 2.328 178.925 176.600 -0.005 0.000 0.984 380 E CA 1.339 57.735 56.400 -0.007 0.000 0.800 380 E CB -0.665 29.031 29.700 -0.007 0.000 0.758 380 E HN 0.586 nan 8.360 nan 0.000 0.448 381 A N -0.677 122.140 122.820 -0.005 0.000 2.123 381 A HA 0.388 4.708 4.320 0.001 0.000 0.214 381 A C 2.146 179.728 177.584 -0.003 0.000 1.152 381 A CA 1.032 53.065 52.037 -0.006 0.000 0.728 381 A CB 0.052 19.046 19.000 -0.011 0.000 0.814 381 A HN 0.395 nan 8.150 nan 0.000 0.464 382 L N -2.234 118.990 121.223 0.003 0.000 2.749 382 L HA 0.401 4.742 4.340 0.001 0.000 0.242 382 L C 1.208 178.090 176.870 0.019 0.000 1.103 382 L CA 0.293 55.140 54.840 0.012 0.000 0.906 382 L CB -0.073 41.996 42.059 0.017 0.000 1.228 382 L HN 0.521 nan 8.230 nan 0.000 0.517 383 G N 1.147 109.956 108.800 0.016 0.000 2.698 383 G HA2 -0.286 3.675 3.960 0.001 0.000 0.225 383 G HA3 -0.286 3.675 3.960 0.001 0.000 0.225 383 G C 0.420 175.341 174.900 0.035 0.000 1.345 383 G CA -0.000 45.111 45.100 0.020 0.000 0.871 383 G HN 0.182 nan 8.290 nan 0.000 0.540 384 T N -3.309 111.271 114.554 0.043 0.000 3.069 384 T HA 0.329 4.680 4.350 0.001 0.000 0.252 384 T C 0.607 175.384 174.700 0.129 0.000 1.053 384 T CA 1.178 63.318 62.100 0.065 0.000 0.964 384 T CB 0.399 69.294 68.868 0.045 0.000 1.005 384 T HN 0.359 nan 8.240 nan 0.000 0.532 385 D N 2.569 123.043 120.400 0.123 0.000 3.134 385 D HA 0.351 4.991 4.640 0.001 0.000 0.248 385 D C 0.161 176.690 176.300 0.382 0.000 1.273 385 D CA -0.265 53.846 54.000 0.185 0.000 0.904 385 D CB -0.187 40.594 40.800 -0.032 0.000 1.089 385 D HN 0.749 nan 8.370 nan 0.000 0.478 386 I N -3.531 117.295 120.570 0.426 0.000 3.042 386 I HA 0.580 4.751 4.170 0.001 0.000 0.310 386 I C -0.728 175.420 176.117 0.052 0.000 1.117 386 I CA -1.196 60.289 61.300 0.308 0.000 1.003 386 I CB 2.115 40.192 38.000 0.127 0.000 1.228 386 I HN -0.397 nan 8.210 nan 0.000 0.443 387 V N 4.602 124.441 119.914 -0.126 0.000 2.394 387 V HA 0.424 4.545 4.120 0.001 0.000 0.282 387 V C 0.112 176.187 176.094 -0.030 0.000 1.031 387 V CA -0.432 61.745 62.300 -0.206 0.000 0.881 387 V CB 1.287 32.930 31.823 -0.299 0.000 0.982 387 V HN 0.490 nan 8.190 nan 0.000 0.451 388 L N 4.573 125.827 121.223 0.053 0.000 2.309 388 L HA 0.591 4.931 4.340 0.001 0.000 0.282 388 L C -0.117 176.841 176.870 0.145 0.000 1.036 388 L CA -0.285 54.606 54.840 0.084 0.000 0.806 388 L CB 1.597 43.708 42.059 0.087 0.000 1.220 388 L HN 0.533 nan 8.230 nan 0.000 0.429 389 Q N 4.124 123.992 119.800 0.113 0.000 2.303 389 Q HA 0.379 4.719 4.340 0.001 0.000 0.267 389 Q C -1.804 174.241 176.000 0.075 0.000 1.011 389 Q CA -0.706 55.164 55.803 0.112 0.000 0.740 389 Q CB 1.867 30.725 28.738 0.200 0.000 1.250 389 Q HN 0.422 nan 8.270 nan 0.000 0.458 390 L N 4.139 125.403 121.223 0.069 0.000 2.337 390 L HA 0.491 4.831 4.340 0.001 0.000 0.269 390 L C 1.004 177.884 176.870 0.016 0.000 1.018 390 L CA -0.103 54.764 54.840 0.045 0.000 0.876 390 L CB 1.508 43.616 42.059 0.081 0.000 1.236 390 L HN 0.761 nan 8.230 nan 0.000 0.436 391 G N 1.689 110.493 108.800 0.007 0.000 2.586 391 G HA2 0.061 4.021 3.960 0.001 0.000 0.199 391 G HA3 0.061 4.021 3.960 0.001 0.000 0.199 391 G C 1.302 176.202 174.900 0.001 0.000 1.614 391 G CA 0.500 45.608 45.100 0.013 0.000 0.921 391 G HN 0.681 nan 8.290 nan 0.000 0.428 392 G N 0.509 109.309 108.800 0.001 0.000 2.507 392 G HA2 -0.025 3.935 3.960 0.001 0.000 0.221 392 G HA3 -0.025 3.935 3.960 0.001 0.000 0.221 392 G C 1.640 176.499 174.900 -0.067 0.000 1.119 392 G CA 1.467 46.575 45.100 0.013 0.000 0.751 392 G HN 0.839 nan 8.290 nan 0.000 0.574 393 G N -1.090 107.569 108.800 -0.235 0.000 2.776 393 G HA2 0.171 4.132 3.960 0.001 0.000 0.209 393 G HA3 0.171 4.132 3.960 0.001 0.000 0.209 393 G C 1.394 176.138 174.900 -0.260 0.000 1.145 393 G CA 1.488 46.245 45.100 -0.572 0.000 0.791 393 G HN 0.420 nan 8.290 nan 0.000 0.530 394 T N 0.007 114.560 114.554 -0.001 0.000 3.138 394 T HA 0.143 4.494 4.350 0.001 0.000 0.245 394 T C 2.290 177.106 174.700 0.195 0.000 0.982 394 T CA -0.160 62.020 62.100 0.133 0.000 1.134 394 T CB -0.027 68.911 68.868 0.116 0.000 1.032 394 T HN 0.101 nan 8.240 nan 0.000 0.442 395 L N 1.020 122.324 121.223 0.134 0.000 2.156 395 L HA 0.174 4.514 4.340 0.001 0.000 0.208 395 L C 2.589 179.577 176.870 0.198 0.000 1.095 395 L CA 1.141 56.054 54.840 0.122 0.000 0.770 395 L CB -0.648 41.447 42.059 0.060 0.000 0.914 395 L HN 0.326 nan 8.230 nan 0.000 0.439 396 G N -1.896 107.084 108.800 0.299 0.000 2.956 396 G HA2 -0.127 3.834 3.960 0.001 0.000 0.207 396 G HA3 -0.127 3.834 3.960 0.001 0.000 0.207 396 G C 0.626 175.766 174.900 0.400 0.000 1.162 396 G CA -0.251 45.075 45.100 0.377 0.000 0.796 396 G HN 0.270 nan 8.290 nan 0.000 0.527 397 H N 1.714 120.994 119.070 0.350 0.000 2.948 397 H HA 0.032 4.589 4.556 0.001 0.000 0.351 397 H C -1.056 174.235 175.328 -0.061 0.000 1.079 397 H CA -0.980 55.140 56.048 0.120 0.000 1.407 397 H CB 1.838 31.704 29.762 0.173 0.000 1.373 397 H HN 0.028 nan 8.280 nan 0.000 0.605 398 P HA -0.079 nan 4.420 nan 0.000 0.223 398 P C 0.085 177.453 177.300 0.113 0.000 1.151 398 P CA 0.970 63.994 63.100 -0.128 0.000 0.787 398 P CB 0.480 31.991 31.700 -0.316 0.000 0.788 399 D N -0.501 120.166 120.400 0.445 0.000 2.388 399 D HA 0.338 4.978 4.640 0.001 0.000 0.221 399 D C 1.116 177.453 176.300 0.062 0.000 1.133 399 D CA 0.434 54.537 54.000 0.171 0.000 0.831 399 D CB 0.158 41.015 40.800 0.096 0.000 0.962 399 D HN 0.146 nan 8.370 nan 0.000 0.502 400 G N 1.195 110.061 108.800 0.110 0.000 2.746 400 G HA2 -0.209 3.751 3.960 0.001 0.000 0.685 400 G HA3 -0.209 3.751 3.960 0.001 0.000 0.685 400 G C -2.067 172.842 174.900 0.014 0.000 1.350 400 G CA -0.865 44.262 45.100 0.046 0.000 0.837 400 G HN -0.076 nan 8.290 nan 0.000 0.564 401 P HA -0.090 nan 4.420 nan 0.000 0.212 401 P C 2.451 179.720 177.300 -0.053 0.000 1.178 401 P CA 3.191 66.289 63.100 -0.003 0.000 0.915 401 P CB -0.201 31.482 31.700 -0.028 0.000 0.788 402 A N -0.140 122.634 122.820 -0.075 0.000 1.940 402 A HA -0.292 4.028 4.320 0.001 0.000 0.221 402 A C 2.363 179.875 177.584 -0.120 0.000 1.190 402 A CA 2.961 54.940 52.037 -0.096 0.000 0.647 402 A CB -1.781 17.163 19.000 -0.093 0.000 0.821 402 A HN 0.246 nan 8.150 nan 0.000 0.457 403 A N -0.862 121.853 122.820 -0.175 0.000 1.902 403 A HA 0.156 4.476 4.320 0.001 0.000 0.217 403 A C 2.489 179.836 177.584 -0.395 0.000 1.181 403 A CA 1.966 53.822 52.037 -0.302 0.000 0.623 403 A CB -1.479 17.271 19.000 -0.418 0.000 0.818 403 A HN 0.860 nan 8.150 nan 0.000 0.443 404 G N -0.281 108.310 108.800 -0.347 0.000 2.476 404 G HA2 -0.077 3.884 3.960 0.001 0.000 0.218 404 G HA3 -0.077 3.884 3.960 0.001 0.000 0.218 404 G C 1.787 176.687 174.900 -0.001 0.000 1.164 404 G CA 1.743 46.796 45.100 -0.079 0.000 0.768 404 G HN 0.836 nan 8.290 nan 0.000 0.560 405 A N 0.730 123.556 122.820 0.011 0.000 1.883 405 A HA -0.074 4.247 4.320 0.001 0.000 0.217 405 A C 2.452 180.025 177.584 -0.019 0.000 1.186 405 A CA 1.810 53.896 52.037 0.081 0.000 0.624 405 A CB -0.457 18.588 19.000 0.075 0.000 0.822 405 A HN 0.373 nan 8.150 nan 0.000 0.444 406 R N -0.661 119.809 120.500 -0.050 0.000 2.096 406 R HA -0.101 4.240 4.340 0.001 0.000 0.235 406 R C 2.507 178.780 176.300 -0.046 0.000 1.127 406 R CA 1.155 57.226 56.100 -0.048 0.000 0.968 406 R CB -0.491 29.780 30.300 -0.048 0.000 0.861 406 R HN 0.546 nan 8.270 nan 0.000 0.440 407 A N 0.824 123.618 122.820 -0.043 0.000 1.845 407 A HA -0.143 4.177 4.320 0.001 0.000 0.215 407 A C 2.372 179.923 177.584 -0.054 0.000 1.195 407 A CA 1.620 53.664 52.037 0.012 0.000 0.616 407 A CB -0.833 18.235 19.000 0.112 0.000 0.832 407 A HN 0.103 nan 8.150 nan 0.000 0.443 408 V N 0.612 120.441 119.914 -0.143 0.000 2.250 408 V HA -0.351 3.770 4.120 0.001 0.000 0.250 408 V C 2.750 178.622 176.094 -0.370 0.000 1.060 408 V CA 2.406 64.500 62.300 -0.342 0.000 1.030 408 V CB -0.936 30.430 31.823 -0.761 0.000 0.643 408 V HN 0.488 nan 8.190 nan 0.000 0.445 409 R N -0.155 120.133 120.500 -0.352 0.000 2.139 409 R HA -0.192 4.148 4.340 0.001 0.000 0.243 409 R C 2.253 178.463 176.300 -0.150 0.000 1.145 409 R CA 1.620 57.585 56.100 -0.225 0.000 0.976 409 R CB -0.723 29.506 30.300 -0.119 0.000 0.866 409 R HN 0.690 nan 8.270 nan 0.000 0.449 410 Q N -0.131 119.608 119.800 -0.101 0.000 2.016 410 Q HA -0.042 4.298 4.340 0.001 0.000 0.200 410 Q C 2.221 178.129 176.000 -0.154 0.000 0.978 410 Q CA 1.617 57.391 55.803 -0.048 0.000 0.833 410 Q CB -0.280 28.486 28.738 0.047 0.000 0.895 410 Q HN 0.358 nan 8.270 nan 0.000 0.427 411 A N 0.942 123.693 122.820 -0.115 0.000 1.948 411 A HA -0.213 4.107 4.320 0.001 0.000 0.220 411 A C 2.027 179.494 177.584 -0.194 0.000 1.177 411 A CA 1.392 53.352 52.037 -0.129 0.000 0.636 411 A CB -0.732 18.217 19.000 -0.084 0.000 0.815 411 A HN 0.339 nan 8.150 nan 0.000 0.449 412 I N -0.571 119.876 120.570 -0.204 0.000 2.286 412 I HA -0.176 3.995 4.170 0.001 0.000 0.245 412 I C 1.854 177.845 176.117 -0.211 0.000 1.104 412 I CA 1.201 62.392 61.300 -0.183 0.000 1.397 412 I CB -0.515 37.386 38.000 -0.165 0.000 1.072 412 I HN 0.228 nan 8.210 nan 0.000 0.417 413 D N 1.450 121.696 120.400 -0.257 0.000 2.116 413 D HA -0.194 4.447 4.640 0.001 0.000 0.193 413 D C 2.244 178.248 176.300 -0.494 0.000 0.998 413 D CA 1.772 55.589 54.000 -0.305 0.000 0.836 413 D CB -0.174 40.469 40.800 -0.261 0.000 0.951 413 D HN 0.353 nan 8.370 nan 0.000 0.449 414 A N 0.708 123.048 122.820 -0.800 0.000 1.898 414 A HA -0.115 4.206 4.320 0.001 0.000 0.216 414 A C 2.405 179.783 177.584 -0.345 0.000 1.181 414 A CA 0.842 52.389 52.037 -0.816 0.000 0.620 414 A CB -0.625 17.875 19.000 -0.833 0.000 0.819 414 A HN 0.202 nan 8.150 nan 0.000 0.442 415 I N -0.717 119.705 120.570 -0.247 0.000 2.315 415 I HA -0.223 3.948 4.170 0.001 0.000 0.248 415 I C 2.389 178.439 176.117 -0.112 0.000 1.117 415 I CA 0.941 62.160 61.300 -0.136 0.000 1.404 415 I CB -0.324 37.615 38.000 -0.102 0.000 1.071 415 I HN 0.272 nan 8.210 nan 0.000 0.419 416 M N 0.291 119.814 119.600 -0.128 0.000 2.319 416 M HA -0.167 4.314 4.480 0.001 0.000 0.265 416 M C 2.565 178.817 176.300 -0.080 0.000 1.068 416 M CA 1.707 56.955 55.300 -0.086 0.000 1.118 416 M CB -1.182 31.371 32.600 -0.079 0.000 1.395 416 M HN 0.436 nan 8.290 nan 0.000 0.435 417 Q N -0.403 119.326 119.800 -0.117 0.000 2.402 417 Q HA 0.369 4.710 4.340 0.001 0.000 0.206 417 Q C 1.601 177.566 176.000 -0.057 0.000 0.919 417 Q CA 1.255 57.009 55.803 -0.082 0.000 0.923 417 Q CB -0.497 28.180 28.738 -0.102 0.000 1.048 417 Q HN 0.712 nan 8.270 nan 0.000 0.515 418 G N -0.191 108.567 108.800 -0.071 0.000 2.132 418 G HA2 -0.174 3.786 3.960 0.001 0.000 0.234 418 G HA3 -0.174 3.786 3.960 0.001 0.000 0.234 418 G C 0.205 175.089 174.900 -0.027 0.000 0.989 418 G CA 0.148 45.224 45.100 -0.040 0.000 0.676 418 G HN 0.642 nan 8.290 nan 0.000 0.522 419 I N 1.830 122.372 120.570 -0.046 0.000 2.297 419 I HA 0.271 4.441 4.170 0.001 0.000 0.291 419 I C -1.766 174.361 176.117 0.016 0.000 1.033 419 I CA -2.296 59.010 61.300 0.009 0.000 1.253 419 I CB 1.191 39.235 38.000 0.073 0.000 1.396 419 I HN -0.159 nan 8.210 nan 0.000 0.476 420 P HA -0.139 nan 4.420 nan 0.000 0.264 420 P C 1.138 178.503 177.300 0.108 0.000 1.173 420 P CA 0.274 63.410 63.100 0.060 0.000 0.761 420 P CB 0.544 32.278 31.700 0.057 0.000 0.794 421 L N 3.049 124.348 121.223 0.127 0.000 2.046 421 L HA -0.200 4.140 4.340 0.001 0.000 0.208 421 L C 1.921 178.907 176.870 0.194 0.000 1.077 421 L CA 2.473 57.414 54.840 0.167 0.000 0.747 421 L CB -1.867 40.309 42.059 0.194 0.000 0.896 421 L HN 0.328 nan 8.230 nan 0.000 0.432 422 D N -0.432 120.076 120.400 0.179 0.000 2.219 422 D HA 0.030 4.671 4.640 0.001 0.000 0.205 422 D C 2.342 178.714 176.300 0.121 0.000 0.970 422 D CA 1.465 55.553 54.000 0.147 0.000 0.851 422 D CB -0.044 40.832 40.800 0.127 0.000 0.943 422 D HN 0.763 nan 8.370 nan 0.000 0.488 423 E N 0.228 120.505 120.200 0.129 0.000 2.051 423 E HA -0.148 4.202 4.350 0.001 0.000 0.189 423 E C 1.892 178.591 176.600 0.165 0.000 0.979 423 E CA 0.501 56.973 56.400 0.121 0.000 0.803 423 E CB -1.156 28.611 29.700 0.111 0.000 0.761 423 E HN 0.397 nan 8.360 nan 0.000 0.451 424 Y N 0.779 121.122 120.300 0.072 0.000 2.352 424 Y HA 0.159 4.710 4.550 0.001 0.000 0.292 424 Y C 2.647 178.650 175.900 0.173 0.000 1.136 424 Y CA 1.153 59.315 58.100 0.102 0.000 1.227 424 Y CB -0.258 38.206 38.460 0.005 0.000 0.991 424 Y HN 0.293 nan 8.280 nan 0.000 0.545 425 A N 0.114 123.055 122.820 0.201 0.000 2.121 425 A HA -0.074 4.246 4.320 0.001 0.000 0.218 425 A C 2.241 179.867 177.584 0.070 0.000 1.154 425 A CA 1.618 53.739 52.037 0.140 0.000 0.679 425 A CB -0.993 18.085 19.000 0.131 0.000 0.795 425 A HN 0.426 nan 8.150 nan 0.000 0.458 426 K N -0.267 120.160 120.400 0.046 0.000 2.148 426 K HA -0.068 4.253 4.320 0.001 0.000 0.204 426 K C 1.602 178.167 176.600 -0.058 0.000 1.050 426 K CA 1.941 58.229 56.287 0.001 0.000 0.942 426 K CB -1.295 31.209 32.500 0.007 0.000 0.724 426 K HN 0.835 nan 8.250 nan 0.000 0.446 427 T N -2.281 112.204 114.554 -0.115 0.000 3.248 427 T HA 0.399 4.750 4.350 0.001 0.000 0.271 427 T C -0.533 173.790 174.700 -0.628 0.000 1.005 427 T CA -0.457 61.461 62.100 -0.304 0.000 0.902 427 T CB -0.536 68.129 68.868 -0.339 0.000 1.102 427 T HN 0.500 nan 8.240 nan 0.000 0.548 428 H N -0.327 118.634 119.070 -0.182 0.000 3.275 428 H HA 0.539 5.095 4.556 0.001 0.000 0.326 428 H C 1.077 176.376 175.328 -0.049 0.000 1.096 428 H CA -0.338 55.626 56.048 -0.140 0.000 1.579 428 H CB 1.282 30.925 29.762 -0.198 0.000 1.834 428 H HN 0.109 nan 8.280 nan 0.000 0.510 429 K N 2.016 122.434 120.400 0.030 0.000 1.991 429 K HA -0.194 4.127 4.320 0.001 0.000 0.212 429 K C 1.715 178.365 176.600 0.083 0.000 1.049 429 K CA 2.186 58.494 56.287 0.034 0.000 0.932 429 K CB -0.530 31.972 32.500 0.004 0.000 0.717 429 K HN 0.631 nan 8.250 nan 0.000 0.441 430 E N 0.331 120.581 120.200 0.083 0.000 2.147 430 E HA -0.177 4.173 4.350 0.001 0.000 0.199 430 E C 1.957 178.694 176.600 0.229 0.000 1.005 430 E CA 1.358 57.824 56.400 0.109 0.000 0.810 430 E CB -0.355 29.346 29.700 0.000 0.000 0.736 430 E HN 0.432 nan 8.360 nan 0.000 0.460 431 L N 0.384 121.709 121.223 0.170 0.000 2.027 431 L HA -0.013 4.328 4.340 0.001 0.000 0.206 431 L C 2.085 179.033 176.870 0.130 0.000 1.074 431 L CA 2.120 57.059 54.840 0.166 0.000 0.745 431 L CB -1.053 41.107 42.059 0.168 0.000 0.898 431 L HN 0.109 nan 8.230 nan 0.000 0.433 432 A N -0.356 122.525 122.820 0.102 0.000 1.908 432 A HA -0.215 4.106 4.320 0.001 0.000 0.218 432 A C 2.349 179.935 177.584 0.002 0.000 1.181 432 A CA 1.663 53.732 52.037 0.053 0.000 0.627 432 A CB -0.549 18.474 19.000 0.038 0.000 0.818 432 A HN 0.453 nan 8.150 nan 0.000 0.445 433 R N -0.517 119.991 120.500 0.013 0.000 2.096 433 R HA -0.063 4.277 4.340 0.001 0.000 0.235 433 R C 2.444 178.545 176.300 -0.332 0.000 1.127 433 R CA 1.377 57.413 56.100 -0.106 0.000 0.968 433 R CB -1.086 29.221 30.300 0.011 0.000 0.861 433 R HN 0.547 nan 8.270 nan 0.000 0.440 434 A N 1.308 123.985 122.820 -0.238 0.000 1.902 434 A HA -0.100 4.220 4.320 0.001 0.000 0.217 434 A C 2.389 179.868 177.584 -0.174 0.000 1.181 434 A CA 1.062 52.928 52.037 -0.286 0.000 0.623 434 A CB -0.568 18.576 19.000 0.240 0.000 0.818 434 A HN 0.180 nan 8.150 nan 0.000 0.443 435 L N -0.734 120.450 121.223 -0.066 0.000 2.046 435 L HA -0.183 4.157 4.340 0.001 0.000 0.208 435 L C 3.156 179.951 176.870 -0.126 0.000 1.077 435 L CA 1.606 56.404 54.840 -0.070 0.000 0.747 435 L CB -1.002 41.048 42.059 -0.016 0.000 0.896 435 L HN 0.618 nan 8.230 nan 0.000 0.432 436 E N 0.949 121.053 120.200 -0.160 0.000 2.130 436 E HA -0.319 4.032 4.350 0.001 0.000 0.196 436 E C 2.170 178.618 176.600 -0.254 0.000 0.998 436 E CA 1.974 58.273 56.400 -0.169 0.000 0.806 436 E CB -0.476 29.125 29.700 -0.165 0.000 0.738 436 E HN 0.551 nan 8.360 nan 0.000 0.459 437 K N -1.899 118.228 120.400 -0.455 0.000 2.098 437 K HA -0.034 4.287 4.320 0.001 0.000 0.203 437 K C 1.908 178.179 176.600 -0.549 0.000 1.051 437 K CA 1.043 56.947 56.287 -0.639 0.000 0.957 437 K CB -0.024 31.797 32.500 -1.133 0.000 0.738 437 K HN 0.565 nan 8.250 nan 0.000 0.447 438 W N 0.163 121.287 121.300 -0.292 0.000 2.792 438 W HA 0.266 4.927 4.660 0.001 0.000 0.262 438 W C 1.365 177.697 176.519 -0.311 0.000 1.212 438 W CA 0.669 57.764 57.345 -0.417 0.000 1.433 438 W CB -0.482 28.414 29.460 -0.941 0.000 1.004 438 W HN 0.457 nan 8.180 nan 0.000 0.608 439 G N 1.449 110.216 108.800 -0.054 0.000 2.601 439 G HA2 -0.325 3.636 3.960 0.001 0.000 0.306 439 G HA3 -0.325 3.636 3.960 0.001 0.000 0.306 439 G C 0.397 175.242 174.900 -0.092 0.000 1.172 439 G CA 1.085 46.185 45.100 0.001 0.000 0.966 439 G HN 0.489 nan 8.290 nan 0.000 0.542 440 H N -0.141 119.046 119.070 0.195 0.000 2.904 440 H HA 0.509 5.065 4.556 0.001 0.000 0.242 440 H C 0.926 176.377 175.328 0.204 0.000 1.193 440 H CA 0.407 56.597 56.048 0.236 0.000 0.946 440 H CB -0.211 29.628 29.762 0.130 0.000 2.135 440 H HN 0.858 nan 8.280 nan 0.000 0.652 441 V N 1.296 121.398 119.914 0.314 0.000 2.834 441 V HA 0.309 4.429 4.120 0.001 0.000 0.301 441 V C 0.682 176.907 176.094 0.218 0.000 1.066 441 V CA -0.041 62.395 62.300 0.226 0.000 1.052 441 V CB 1.315 33.244 31.823 0.177 0.000 1.021 441 V HN 0.227 nan 8.190 nan 0.000 0.480 442 T N 5.543 120.173 114.554 0.127 0.000 2.753 442 T HA 0.599 4.949 4.350 0.001 0.000 0.297 442 T C -2.307 172.440 174.700 0.077 0.000 0.981 442 T CA -1.363 60.784 62.100 0.078 0.000 0.956 442 T CB 0.412 69.308 68.868 0.046 0.000 0.936 442 T HN 0.746 nan 8.240 nan 0.000 0.463 443 P HA 0.404 nan 4.420 nan 0.000 0.267 443 P C -0.879 176.452 177.300 0.052 0.000 1.200 443 P CA -0.304 62.838 63.100 0.070 0.000 0.772 443 P CB 0.655 32.389 31.700 0.056 0.000 0.855 444 V N 0.000 119.945 119.914 0.051 0.000 2.409 444 V HA 0.000 4.120 4.120 0.001 0.000 0.244 444 V CA 0.000 62.325 62.300 0.042 0.000 1.235 444 V CB 0.000 31.847 31.823 0.039 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556