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 2bb6_1_C DATA FIRST_RESID 1 DATA SEQUENCE NIcEITEVDS TLVERLGQRL LPWMDRLSQE QLNPSIYVGL RLSSLQAGAK DATA SEQUENCE EAHYLHSLKL SYQQSLLRPA SNKDDNDSEA KPSMGQLALY LLALRANcEF DATA SEQUENCE IGGRKGDRLV SQLKRFLEDE KRAIGHNHQG HPRTSYYQYS LGILALcVHQ DATA SEQUENCE KRVHDSVVGK LLYAVEHKPH LLQDHVSVDT MAMAGMAFSc LELSNLNPKQ DATA SEQUENCE RNRINLALKR VQEKILKAQT PEGYFGNVYS TPLALQLLMG SLRPSVELGT DATA SEQUENCE AcLKAKAALQ ASLQHKTFQN PLMISQLLPV LNQKSYVDLI SPDcQAPRAL DATA SEQUENCE LEPALETPPQ AKVPKFIDVL LKVSGISPSY RHSVSVPAGS SLEDILKNAQ DATA SEQUENCE EHGRFRFRTQ ASLSGPFLTS VLGRKAGERE FWQVLRDPDT PLQQGIADYR DATA SEQUENCE PKDGETIELR LVGW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.512 175.510 0.004 0.000 1.280 1 N CA 0.000 53.050 53.050 0.000 0.000 0.885 1 N CB 0.000 38.487 38.487 -0.001 0.000 1.341 2 I N 1.417 121.991 120.570 0.007 0.000 2.423 2 I HA -0.164 4.006 4.170 0.001 0.000 0.254 2 I C 0.967 177.096 176.117 0.021 0.000 1.151 2 I CA 1.265 62.572 61.300 0.012 0.000 1.421 2 I CB 0.082 38.090 38.000 0.014 0.000 1.079 2 I HN 0.704 nan 8.210 nan 0.000 0.431 3 c N 0.988 119.602 118.600 0.024 0.000 2.576 3 c HA 0.113 4.684 4.570 0.001 0.000 0.267 3 c C 0.976 175.082 174.090 0.026 0.000 1.364 3 c CA -0.359 55.993 56.329 0.038 0.000 1.723 3 c CB -1.611 40.921 42.510 0.037 0.000 1.778 3 c HN 0.393 nan 8.230 nan 0.000 0.572 4 E N 0.829 121.035 120.200 0.010 0.000 2.331 4 E HA 0.307 4.658 4.350 0.001 0.000 0.272 4 E C -0.411 176.188 176.600 -0.002 0.000 1.036 4 E CA -0.068 56.332 56.400 -0.000 0.000 0.864 4 E CB 0.827 30.523 29.700 -0.007 0.000 1.035 4 E HN 0.423 nan 8.360 nan 0.000 0.408 5 I N 3.195 123.759 120.570 -0.010 0.000 2.379 5 I HA -0.009 4.161 4.170 0.001 0.000 0.290 5 I C 1.285 177.390 176.117 -0.020 0.000 1.063 5 I CA 0.129 61.420 61.300 -0.015 0.000 1.351 5 I CB 0.716 38.701 38.000 -0.025 0.000 1.410 5 I HN 0.689 nan 8.210 nan 0.000 0.505 6 T N 1.002 115.546 114.554 -0.017 0.000 3.056 6 T HA 0.121 4.471 4.350 0.001 0.000 0.241 6 T C 0.801 175.489 174.700 -0.020 0.000 1.006 6 T CA -0.022 62.067 62.100 -0.018 0.000 1.115 6 T CB 0.204 69.064 68.868 -0.014 0.000 0.939 6 T HN 0.433 nan 8.240 nan 0.000 0.462 7 E N 2.513 122.702 120.200 -0.019 0.000 2.026 7 E HA 0.418 4.768 4.350 0.001 0.000 0.253 7 E C -0.974 175.611 176.600 -0.025 0.000 1.056 7 E CA -0.189 56.199 56.400 -0.020 0.000 0.927 7 E CB 0.981 30.670 29.700 -0.018 0.000 1.172 7 E HN 0.346 nan 8.360 nan 0.000 0.445 8 V N 1.047 120.944 119.914 -0.028 0.000 2.547 8 V HA 0.209 4.329 4.120 0.001 0.000 0.299 8 V C 0.129 176.205 176.094 -0.030 0.000 1.040 8 V CA -1.193 61.087 62.300 -0.034 0.000 0.913 8 V CB 1.823 33.620 31.823 -0.042 0.000 0.992 8 V HN 0.374 nan 8.190 nan 0.000 0.449 9 D N 2.355 122.737 120.400 -0.031 0.000 2.383 9 D HA 0.151 4.792 4.640 0.001 0.000 0.252 9 D C 1.437 177.721 176.300 -0.027 0.000 1.166 9 D CA 0.688 54.672 54.000 -0.027 0.000 0.879 9 D CB 1.487 42.271 40.800 -0.028 0.000 1.164 9 D HN 0.757 nan 8.370 nan 0.000 0.462 10 S N 1.613 117.299 115.700 -0.023 0.000 2.419 10 S HA -0.216 4.254 4.470 0.001 0.000 0.233 10 S C 1.860 176.449 174.600 -0.019 0.000 1.016 10 S CA 1.499 59.686 58.200 -0.022 0.000 0.974 10 S CB -0.659 62.530 63.200 -0.018 0.000 0.786 10 S HN 0.637 nan 8.310 nan 0.000 0.492 11 T N 0.206 114.750 114.554 -0.017 0.000 2.985 11 T HA 0.215 4.565 4.350 0.001 0.000 0.266 11 T C 1.792 176.485 174.700 -0.012 0.000 1.076 11 T CA 0.644 62.737 62.100 -0.012 0.000 1.135 11 T CB -0.650 68.212 68.868 -0.010 0.000 0.890 11 T HN 0.375 nan 8.240 nan 0.000 0.480 12 L N 0.866 122.078 121.223 -0.019 0.000 2.027 12 L HA -0.032 4.309 4.340 0.001 0.000 0.206 12 L C 2.951 179.808 176.870 -0.022 0.000 1.074 12 L CA 0.896 55.724 54.840 -0.020 0.000 0.745 12 L CB -0.700 41.341 42.059 -0.031 0.000 0.898 12 L HN 0.138 nan 8.230 nan 0.000 0.433 13 V N -0.008 119.888 119.914 -0.030 0.000 2.332 13 V HA -0.337 3.783 4.120 0.001 0.000 0.248 13 V C 2.496 178.577 176.094 -0.021 0.000 1.055 13 V CA 2.173 64.452 62.300 -0.035 0.000 1.038 13 V CB -0.595 31.205 31.823 -0.039 0.000 0.651 13 V HN 0.536 nan 8.190 nan 0.000 0.450 14 E N 0.157 120.349 120.200 -0.014 0.000 2.085 14 E HA -0.260 4.091 4.350 0.001 0.000 0.194 14 E C 2.472 179.075 176.600 0.005 0.000 0.994 14 E CA 1.400 57.797 56.400 -0.005 0.000 0.801 14 E CB -0.081 29.616 29.700 -0.005 0.000 0.743 14 E HN 0.511 nan 8.360 nan 0.000 0.453 15 R N -0.015 120.489 120.500 0.008 0.000 2.081 15 R HA -0.124 4.216 4.340 0.001 0.000 0.235 15 R C 2.599 178.919 176.300 0.034 0.000 1.131 15 R CA 1.328 57.441 56.100 0.022 0.000 0.960 15 R CB -0.271 30.042 30.300 0.022 0.000 0.856 15 R HN 0.274 nan 8.270 nan 0.000 0.436 16 L N -0.791 120.446 121.223 0.023 0.000 2.017 16 L HA -0.106 4.234 4.340 0.001 0.000 0.208 16 L C 2.601 179.492 176.870 0.034 0.000 1.073 16 L CA 1.523 56.382 54.840 0.031 0.000 0.745 16 L CB -0.835 41.218 42.059 -0.008 0.000 0.894 16 L HN 0.357 nan 8.230 nan 0.000 0.432 17 G N -1.043 107.766 108.800 0.015 0.000 2.442 17 G HA2 -0.270 3.690 3.960 0.001 0.000 0.219 17 G HA3 -0.270 3.690 3.960 0.001 0.000 0.219 17 G C 1.511 176.434 174.900 0.038 0.000 1.141 17 G CA 0.427 45.536 45.100 0.016 0.000 0.763 17 G HN 0.397 nan 8.290 nan 0.000 0.554 18 Q N -0.347 119.477 119.800 0.041 0.000 2.226 18 Q HA -0.022 4.319 4.340 0.001 0.000 0.204 18 Q C 2.758 178.808 176.000 0.083 0.000 0.975 18 Q CA 0.783 56.617 55.803 0.051 0.000 0.866 18 Q CB -0.059 28.703 28.738 0.039 0.000 0.915 18 Q HN 0.425 nan 8.270 nan 0.000 0.440 19 R N -0.120 120.440 120.500 0.101 0.000 2.148 19 R HA -0.026 4.314 4.340 0.001 0.000 0.223 19 R C 2.024 178.467 176.300 0.239 0.000 1.088 19 R CA 0.741 56.935 56.100 0.157 0.000 0.985 19 R CB -0.005 30.383 30.300 0.147 0.000 0.880 19 R HN 0.235 nan 8.270 nan 0.000 0.451 20 L N 0.049 121.377 121.223 0.175 0.000 2.240 20 L HA -0.092 4.249 4.340 0.001 0.000 0.211 20 L C 2.040 179.053 176.870 0.237 0.000 1.106 20 L CA 0.243 55.208 54.840 0.208 0.000 0.793 20 L CB -0.282 41.820 42.059 0.071 0.000 0.927 20 L HN 0.182 nan 8.230 nan 0.000 0.446 21 L N 1.451 122.758 121.223 0.140 0.000 1.997 21 L HA -0.171 4.170 4.340 0.001 0.000 0.216 21 L C -0.312 176.610 176.870 0.087 0.000 1.074 21 L CA 2.423 57.317 54.840 0.089 0.000 0.763 21 L CB -1.623 40.469 42.059 0.055 0.000 0.890 21 L HN 0.135 nan 8.230 nan 0.000 0.434 22 P HA -0.185 nan 4.420 nan 0.000 0.225 22 P C 1.218 178.444 177.300 -0.124 0.000 1.148 22 P CA 1.461 64.524 63.100 -0.063 0.000 0.779 22 P CB -0.356 31.252 31.700 -0.152 0.000 0.780 23 W N -0.717 120.616 121.300 0.055 0.000 2.467 23 W HA 0.041 4.702 4.660 0.001 0.000 0.275 23 W C 2.314 178.910 176.519 0.128 0.000 1.239 23 W CA 0.342 57.742 57.345 0.090 0.000 1.266 23 W CB -0.958 28.542 29.460 0.067 0.000 1.112 23 W HN -0.177 nan 8.180 nan 0.000 0.576 24 M N -0.085 119.634 119.600 0.197 0.000 2.435 24 M HA -0.148 4.333 4.480 0.001 0.000 0.262 24 M C 0.325 176.815 176.300 0.316 0.000 1.065 24 M CA 1.466 56.869 55.300 0.172 0.000 1.076 24 M CB -0.901 31.748 32.600 0.082 0.000 1.403 24 M HN -0.015 nan 8.290 nan 0.000 0.454 25 D N -0.482 120.041 120.400 0.205 0.000 2.398 25 D HA 0.125 4.765 4.640 0.001 0.000 0.210 25 D C 0.191 176.572 176.300 0.134 0.000 1.094 25 D CA 0.146 54.239 54.000 0.154 0.000 0.839 25 D CB 0.367 41.202 40.800 0.058 0.000 0.963 25 D HN 0.250 nan 8.370 nan 0.000 0.506 26 R N 0.977 121.593 120.500 0.194 0.000 2.346 26 R HA 0.387 4.728 4.340 0.001 0.000 0.309 26 R C 0.676 177.107 176.300 0.219 0.000 1.119 26 R CA -0.069 56.123 56.100 0.154 0.000 1.112 26 R CB 0.634 30.984 30.300 0.083 0.000 1.132 26 R HN -0.043 nan 8.270 nan 0.000 0.538 27 L N 0.872 122.166 121.223 0.119 0.000 2.808 27 L HA 0.164 4.504 4.340 0.001 0.000 0.246 27 L C 0.701 177.571 176.870 0.001 0.000 1.153 27 L CA -0.175 54.683 54.840 0.030 0.000 0.956 27 L CB 0.505 42.585 42.059 0.035 0.000 1.270 27 L HN 0.436 nan 8.230 nan 0.000 0.528 28 S N -0.938 114.783 115.700 0.035 0.000 2.584 28 S HA -0.042 4.428 4.470 0.001 0.000 0.270 28 S C 1.060 175.665 174.600 0.008 0.000 1.346 28 S CA -0.164 58.046 58.200 0.018 0.000 1.018 28 S CB 1.290 64.508 63.200 0.030 0.000 0.899 28 S HN 0.369 nan 8.310 nan 0.000 0.542 29 Q N 0.921 120.710 119.800 -0.018 0.000 2.112 29 Q HA -0.246 4.094 4.340 0.001 0.000 0.206 29 Q C 1.992 177.981 176.000 -0.018 0.000 0.987 29 Q CA 2.198 57.974 55.803 -0.044 0.000 0.858 29 Q CB -0.287 28.409 28.738 -0.071 0.000 0.905 29 Q HN 0.988 nan 8.270 nan 0.000 0.420 30 E N -1.054 119.154 120.200 0.013 0.000 2.481 30 E HA -0.137 4.213 4.350 0.001 0.000 0.195 30 E C 1.391 178.055 176.600 0.105 0.000 1.047 30 E CA 0.423 56.848 56.400 0.041 0.000 0.867 30 E CB 0.163 29.886 29.700 0.038 0.000 0.858 30 E HN 0.519 nan 8.360 nan 0.000 0.513 31 Q N 0.380 120.262 119.800 0.138 0.000 2.392 31 Q HA 0.241 4.581 4.340 0.001 0.000 0.219 31 Q C 0.458 176.622 176.000 0.273 0.000 0.895 31 Q CA -0.159 55.799 55.803 0.259 0.000 0.929 31 Q CB 0.609 29.516 28.738 0.281 0.000 1.077 31 Q HN 0.266 nan 8.270 nan 0.000 0.532 32 L N 2.281 123.597 121.223 0.155 0.000 2.490 32 L HA 0.044 4.385 4.340 0.001 0.000 0.274 32 L C 0.094 177.095 176.870 0.218 0.000 1.201 32 L CA 0.083 54.990 54.840 0.113 0.000 0.869 32 L CB 0.218 42.265 42.059 -0.021 0.000 1.123 32 L HN 0.109 nan 8.230 nan 0.000 0.484 33 N N 4.260 123.160 118.700 0.333 0.000 2.621 33 N HA 0.246 4.987 4.740 0.001 0.000 0.271 33 N C -2.182 173.527 175.510 0.331 0.000 1.181 33 N CA -1.471 51.752 53.050 0.287 0.000 0.805 33 N CB 1.940 40.554 38.487 0.213 0.000 1.351 33 N HN 0.120 nan 8.380 nan 0.000 0.539 34 P HA -0.075 nan 4.420 nan 0.000 0.222 34 P C 1.271 178.669 177.300 0.164 0.000 1.147 34 P CA 0.809 64.007 63.100 0.163 0.000 0.790 34 P CB 0.518 32.221 31.700 0.005 0.000 0.780 35 S N -0.840 114.934 115.700 0.125 0.000 2.387 35 S HA -0.058 4.412 4.470 0.001 0.000 0.226 35 S C 1.863 176.525 174.600 0.104 0.000 1.026 35 S CA 0.576 58.834 58.200 0.097 0.000 0.972 35 S CB -0.854 62.400 63.200 0.090 0.000 0.814 35 S HN -0.017 nan 8.310 nan 0.000 0.477 36 I N 0.147 120.774 120.570 0.095 0.000 2.226 36 I HA -0.151 4.019 4.170 0.001 0.000 0.245 36 I C 2.218 178.345 176.117 0.017 0.000 1.100 36 I CA 1.529 62.844 61.300 0.025 0.000 1.374 36 I CB -0.435 37.551 38.000 -0.022 0.000 1.057 36 I HN 0.412 nan 8.210 nan 0.000 0.413 37 Y N 1.243 121.537 120.300 -0.010 0.000 2.145 37 Y HA -0.237 4.313 4.550 0.001 0.000 0.286 37 Y C 2.472 178.374 175.900 0.004 0.000 1.145 37 Y CA 1.694 59.792 58.100 -0.004 0.000 1.148 37 Y CB -0.353 38.191 38.460 0.139 0.000 0.981 37 Y HN -0.155 nan 8.280 nan 0.000 0.507 38 V N 0.288 120.272 119.914 0.117 0.000 2.287 38 V HA -0.331 3.790 4.120 0.001 0.000 0.248 38 V C 2.625 178.713 176.094 -0.010 0.000 1.053 38 V CA 2.045 64.365 62.300 0.033 0.000 1.027 38 V CB -1.629 30.231 31.823 0.061 0.000 0.646 38 V HN 0.664 nan 8.190 nan 0.000 0.447 39 G N -0.314 108.502 108.800 0.026 0.000 2.440 39 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 39 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 39 G C 1.507 176.369 174.900 -0.062 0.000 1.154 39 G CA 0.822 45.930 45.100 0.013 0.000 0.767 39 G HN 0.349 nan 8.290 nan 0.000 0.552 40 L N 0.130 121.276 121.223 -0.128 0.000 2.027 40 L HA 0.054 4.395 4.340 0.001 0.000 0.206 40 L C 3.030 179.788 176.870 -0.188 0.000 1.074 40 L CA 1.211 55.956 54.840 -0.159 0.000 0.745 40 L CB -0.853 41.084 42.059 -0.203 0.000 0.898 40 L HN 0.167 nan 8.230 nan 0.000 0.433 41 R N 0.023 120.351 120.500 -0.286 0.000 2.096 41 R HA -0.079 4.261 4.340 0.001 0.000 0.235 41 R C 2.070 178.291 176.300 -0.132 0.000 1.127 41 R CA 0.917 56.864 56.100 -0.255 0.000 0.968 41 R CB -0.705 29.390 30.300 -0.341 0.000 0.861 41 R HN 0.378 nan 8.270 nan 0.000 0.440 42 L N 1.309 122.476 121.223 -0.093 0.000 2.599 42 L HA 0.031 4.371 4.340 0.001 0.000 0.230 42 L C 1.248 178.085 176.870 -0.055 0.000 1.141 42 L CA -0.063 54.745 54.840 -0.053 0.000 0.877 42 L CB -0.248 41.804 42.059 -0.012 0.000 1.009 42 L HN 0.092 nan 8.230 nan 0.000 0.447 43 S N -1.114 114.546 115.700 -0.067 0.000 2.671 43 S HA 0.126 4.597 4.470 0.001 0.000 0.272 43 S C 1.178 175.746 174.600 -0.055 0.000 1.174 43 S CA -0.045 58.119 58.200 -0.060 0.000 1.004 43 S CB 1.342 64.505 63.200 -0.061 0.000 1.077 43 S HN 0.193 nan 8.310 nan 0.000 0.553 44 S N -0.384 115.288 115.700 -0.047 0.000 2.575 44 S HA 0.342 4.812 4.470 0.001 0.000 0.215 44 S C 0.218 174.795 174.600 -0.037 0.000 0.966 44 S CA -0.571 57.605 58.200 -0.040 0.000 0.911 44 S CB -0.899 62.280 63.200 -0.035 0.000 0.780 44 S HN 0.569 nan 8.310 nan 0.000 0.514 45 L N 1.428 122.626 121.223 -0.042 0.000 2.322 45 L HA 0.673 5.014 4.340 0.001 0.000 0.269 45 L C -0.663 176.180 176.870 -0.046 0.000 1.012 45 L CA -1.095 53.722 54.840 -0.037 0.000 0.815 45 L CB 1.770 43.809 42.059 -0.032 0.000 1.295 45 L HN 0.212 nan 8.230 nan 0.000 0.438 46 Q N 0.508 120.287 119.800 -0.035 0.000 2.315 46 Q HA 0.692 5.033 4.340 0.001 0.000 0.273 46 Q C -0.979 175.009 176.000 -0.020 0.000 1.053 46 Q CA -0.807 54.974 55.803 -0.037 0.000 0.817 46 Q CB 2.120 30.840 28.738 -0.029 0.000 1.326 46 Q HN 0.604 nan 8.270 nan 0.000 0.423 47 A N 2.074 124.884 122.820 -0.018 0.000 2.640 47 A HA 0.644 4.964 4.320 0.001 0.000 0.282 47 A C 1.086 178.683 177.584 0.022 0.000 1.357 47 A CA 0.296 52.334 52.037 0.003 0.000 0.946 47 A CB -1.109 17.892 19.000 0.001 0.000 1.065 47 A HN 1.411 nan 8.150 nan 0.000 0.541 48 G N 0.055 108.866 108.800 0.018 0.000 2.594 48 G HA2 -0.086 3.874 3.960 0.001 0.000 0.297 48 G HA3 -0.086 3.874 3.960 0.001 0.000 0.297 48 G C 1.348 176.277 174.900 0.049 0.000 1.273 48 G CA 0.601 45.717 45.100 0.027 0.000 0.974 48 G HN 1.572 nan 8.290 nan 0.000 0.552 49 A N -0.554 122.294 122.820 0.047 0.000 2.178 49 A HA 0.071 4.391 4.320 0.001 0.000 0.218 49 A C 2.215 179.861 177.584 0.103 0.000 1.157 49 A CA 2.327 54.401 52.037 0.061 0.000 0.689 49 A CB -0.386 18.633 19.000 0.031 0.000 0.787 49 A HN 0.674 nan 8.150 nan 0.000 0.465 50 K N -0.146 120.318 120.400 0.106 0.000 2.148 50 K HA -0.133 4.187 4.320 0.001 0.000 0.204 50 K C 1.820 178.575 176.600 0.257 0.000 1.050 50 K CA 1.488 57.876 56.287 0.169 0.000 0.942 50 K CB -0.092 32.485 32.500 0.127 0.000 0.724 50 K HN 0.660 nan 8.250 nan 0.000 0.446 51 E N 0.465 120.791 120.200 0.211 0.000 2.031 51 E HA -0.197 4.154 4.350 0.001 0.000 0.193 51 E C 2.121 178.969 176.600 0.413 0.000 0.994 51 E CA 1.194 57.775 56.400 0.303 0.000 0.800 51 E CB -0.161 29.645 29.700 0.178 0.000 0.752 51 E HN 0.325 nan 8.360 nan 0.000 0.447 52 A N 1.048 124.043 122.820 0.291 0.000 1.933 52 A HA -0.248 4.073 4.320 0.001 0.000 0.218 52 A C 1.944 179.673 177.584 0.242 0.000 1.175 52 A CA 2.004 54.186 52.037 0.240 0.000 0.628 52 A CB -0.779 18.318 19.000 0.161 0.000 0.814 52 A HN 0.301 nan 8.150 nan 0.000 0.444 53 H N -2.429 116.741 119.070 0.167 0.000 2.353 53 H HA -0.178 4.379 4.556 0.001 0.000 0.300 53 H C 1.798 177.248 175.328 0.203 0.000 1.090 53 H CA 2.181 58.324 56.048 0.157 0.000 1.327 53 H CB -0.365 29.474 29.762 0.129 0.000 1.383 53 H HN 0.561 nan 8.280 nan 0.000 0.508 54 Y N -0.349 120.039 120.300 0.148 0.000 2.145 54 Y HA -0.197 4.353 4.550 0.001 0.000 0.286 54 Y C 2.360 178.232 175.900 -0.047 0.000 1.145 54 Y CA 1.508 59.659 58.100 0.085 0.000 1.148 54 Y CB -0.410 38.177 38.460 0.210 0.000 0.981 54 Y HN 0.322 nan 8.280 nan 0.000 0.507 55 L N -0.348 120.892 121.223 0.029 0.000 2.017 55 L HA -0.232 4.109 4.340 0.001 0.000 0.208 55 L C 2.322 179.125 176.870 -0.110 0.000 1.073 55 L CA 2.362 57.047 54.840 -0.258 0.000 0.745 55 L CB -1.110 40.704 42.059 -0.408 0.000 0.894 55 L HN 0.348 nan 8.230 nan 0.000 0.432 56 H N -1.203 117.797 119.070 -0.117 0.000 2.352 56 H HA -0.137 4.419 4.556 0.001 0.000 0.299 56 H C 2.285 177.519 175.328 -0.156 0.000 1.097 56 H CA 1.987 57.969 56.048 -0.109 0.000 1.311 56 H CB -0.015 29.692 29.762 -0.091 0.000 1.377 56 H HN 0.400 nan 8.280 nan 0.000 0.504 57 S N -0.263 115.324 115.700 -0.187 0.000 2.368 57 S HA -0.116 4.354 4.470 0.001 0.000 0.225 57 S C 2.291 176.761 174.600 -0.215 0.000 1.030 57 S CA 1.193 59.245 58.200 -0.247 0.000 0.999 57 S CB -0.247 62.763 63.200 -0.317 0.000 0.844 57 S HN 0.332 nan 8.310 nan 0.000 0.459 58 L N 1.176 122.269 121.223 -0.216 0.000 2.017 58 L HA -0.158 4.183 4.340 0.001 0.000 0.208 58 L C 2.472 179.289 176.870 -0.087 0.000 1.073 58 L CA 1.333 56.100 54.840 -0.122 0.000 0.745 58 L CB -0.475 41.504 42.059 -0.133 0.000 0.894 58 L HN 0.245 nan 8.230 nan 0.000 0.432 59 K N -0.329 120.038 120.400 -0.055 0.000 2.032 59 K HA -0.213 4.107 4.320 0.001 0.000 0.209 59 K C 2.027 178.532 176.600 -0.159 0.000 1.048 59 K CA 1.237 57.498 56.287 -0.044 0.000 0.927 59 K CB -0.304 32.154 32.500 -0.071 0.000 0.712 59 K HN 0.054 nan 8.250 nan 0.000 0.441 60 L N 0.942 122.027 121.223 -0.229 0.000 2.046 60 L HA -0.176 4.165 4.340 0.001 0.000 0.208 60 L C 2.600 179.383 176.870 -0.144 0.000 1.077 60 L CA 1.636 56.355 54.840 -0.201 0.000 0.747 60 L CB -1.042 40.882 42.059 -0.224 0.000 0.896 60 L HN 0.172 nan 8.230 nan 0.000 0.432 61 S N -1.735 113.890 115.700 -0.124 0.000 2.345 61 S HA -0.195 4.275 4.470 0.001 0.000 0.219 61 S C 2.166 176.662 174.600 -0.172 0.000 1.031 61 S CA 0.895 59.022 58.200 -0.121 0.000 0.984 61 S CB -0.382 62.769 63.200 -0.082 0.000 0.874 61 S HN 0.367 nan 8.310 nan 0.000 0.451 62 Y N 1.955 122.034 120.300 -0.368 0.000 2.145 62 Y HA -0.067 4.484 4.550 0.001 0.000 0.286 62 Y C 2.844 178.529 175.900 -0.358 0.000 1.145 62 Y CA 1.809 59.630 58.100 -0.465 0.000 1.148 62 Y CB -0.713 37.183 38.460 -0.940 0.000 0.981 62 Y HN 0.410 nan 8.280 nan 0.000 0.507 63 Q N -0.283 119.415 119.800 -0.171 0.000 2.050 63 Q HA -0.283 4.058 4.340 0.001 0.000 0.202 63 Q C 2.338 178.274 176.000 -0.106 0.000 0.980 63 Q CA 1.915 57.647 55.803 -0.119 0.000 0.840 63 Q CB -0.292 28.394 28.738 -0.087 0.000 0.898 63 Q HN 0.678 nan 8.270 nan 0.000 0.424 64 Q N -0.352 119.381 119.800 -0.113 0.000 2.119 64 Q HA -0.084 4.256 4.340 0.001 0.000 0.201 64 Q C 1.921 177.856 176.000 -0.108 0.000 0.972 64 Q CA 1.771 57.515 55.803 -0.097 0.000 0.847 64 Q CB -0.199 28.486 28.738 -0.089 0.000 0.903 64 Q HN 0.013 nan 8.270 nan 0.000 0.433 65 S N 0.235 115.846 115.700 -0.148 0.000 2.387 65 S HA 0.105 4.575 4.470 0.001 0.000 0.226 65 S C 1.661 176.174 174.600 -0.145 0.000 1.026 65 S CA 0.843 58.946 58.200 -0.162 0.000 0.972 65 S CB -0.007 63.051 63.200 -0.238 0.000 0.814 65 S HN 0.386 nan 8.310 nan 0.000 0.477 66 L N 0.452 121.587 121.223 -0.146 0.000 2.477 66 L HA 0.289 4.630 4.340 0.001 0.000 0.220 66 L C -0.109 176.718 176.870 -0.072 0.000 1.106 66 L CA 0.370 55.143 54.840 -0.112 0.000 0.851 66 L CB 0.013 42.005 42.059 -0.113 0.000 0.994 66 L HN 0.124 nan 8.230 nan 0.000 0.462 67 L N 1.286 122.468 121.223 -0.068 0.000 2.426 67 L HA 0.406 4.746 4.340 0.001 0.000 0.255 67 L C -0.247 176.596 176.870 -0.045 0.000 1.080 67 L CA 0.045 54.856 54.840 -0.047 0.000 0.960 67 L CB 0.429 42.464 42.059 -0.040 0.000 1.326 67 L HN 0.086 nan 8.230 nan 0.000 0.441 68 R N 2.729 123.204 120.500 -0.041 0.000 2.515 68 R HA 0.349 4.689 4.340 0.001 0.000 0.291 68 R C -1.750 174.532 176.300 -0.031 0.000 1.046 68 R CA -1.079 54.996 56.100 -0.041 0.000 0.914 68 R CB 2.423 32.692 30.300 -0.051 0.000 1.191 68 R HN 0.181 nan 8.270 nan 0.000 0.435 69 P HA 0.061 nan 4.420 nan 0.000 0.233 69 P C 0.132 177.418 177.300 -0.023 0.000 1.167 69 P CA 0.310 63.397 63.100 -0.022 0.000 0.770 69 P CB 0.394 32.082 31.700 -0.019 0.000 0.837 70 A N -0.639 122.164 122.820 -0.028 0.000 2.287 70 A HA 0.523 4.843 4.320 0.001 0.000 0.273 70 A C 0.845 178.410 177.584 -0.031 0.000 1.091 70 A CA 0.098 52.118 52.037 -0.030 0.000 0.817 70 A CB 0.736 19.715 19.000 -0.034 0.000 1.069 70 A HN 0.165 nan 8.150 nan 0.000 0.492 71 S N -1.072 114.610 115.700 -0.030 0.000 4.020 71 S HA 0.397 4.867 4.470 0.001 0.000 0.201 71 S C 0.373 174.955 174.600 -0.030 0.000 1.194 71 S CA -0.143 58.039 58.200 -0.030 0.000 1.383 71 S CB 0.076 63.261 63.200 -0.024 0.000 1.745 71 S HN 0.827 nan 8.310 nan 0.000 0.739 72 N N -0.394 118.291 118.700 -0.025 0.000 3.132 72 N HA 0.436 5.176 4.740 0.001 0.000 0.246 72 N C -0.055 175.444 175.510 -0.019 0.000 1.568 72 N CA -0.211 52.825 53.050 -0.023 0.000 0.957 72 N CB 0.207 38.681 38.487 -0.023 0.000 2.748 72 N HN 0.153 nan 8.380 nan 0.000 0.377 73 K N 0.335 120.725 120.400 -0.017 0.000 2.344 73 K HA 0.334 4.655 4.320 0.001 0.000 0.229 73 K C 0.327 176.920 176.600 -0.013 0.000 1.112 73 K CA 0.648 56.926 56.287 -0.015 0.000 0.850 73 K CB 0.617 33.108 32.500 -0.014 0.000 1.311 73 K HN 0.257 nan 8.250 nan 0.000 0.448 74 D N -0.769 119.624 120.400 -0.012 0.000 2.181 74 D HA 0.043 4.683 4.640 0.001 0.000 0.282 74 D C -0.613 175.682 176.300 -0.009 0.000 1.244 74 D CA 0.097 54.091 54.000 -0.010 0.000 1.190 74 D CB 0.397 41.191 40.800 -0.009 0.000 1.845 74 D HN -0.008 nan 8.370 nan 0.000 0.485 75 D N 1.715 122.109 120.400 -0.009 0.000 2.368 75 D HA 0.081 4.722 4.640 0.001 0.000 0.240 75 D C 1.268 177.565 176.300 -0.006 0.000 1.169 75 D CA 0.048 54.044 54.000 -0.007 0.000 0.906 75 D CB 0.595 41.389 40.800 -0.009 0.000 1.187 75 D HN -0.080 nan 8.370 nan 0.000 0.435 76 N N 0.524 119.223 118.700 -0.002 0.000 2.149 76 N HA -0.125 4.616 4.740 0.001 0.000 0.188 76 N C -0.625 174.887 175.510 0.003 0.000 1.019 76 N CA 0.831 53.883 53.050 0.003 0.000 0.857 76 N CB -0.263 38.229 38.487 0.010 0.000 0.997 76 N HN 0.532 nan 8.380 nan 0.000 0.426 77 D N 0.019 120.419 120.400 0.000 0.000 2.363 77 D HA 0.123 4.764 4.640 0.001 0.000 0.263 77 D C -0.024 176.271 176.300 -0.008 0.000 1.258 77 D CA -0.016 53.983 54.000 -0.001 0.000 0.907 77 D CB 0.329 41.126 40.800 -0.005 0.000 1.107 77 D HN 0.016 nan 8.370 nan 0.000 0.495 78 S N 1.303 116.997 115.700 -0.009 0.000 2.512 78 S HA 0.055 4.525 4.470 0.001 0.000 0.161 78 S C 0.185 174.769 174.600 -0.027 0.000 1.383 78 S CA -0.934 57.255 58.200 -0.019 0.000 1.248 78 S CB 0.311 63.499 63.200 -0.021 0.000 1.488 78 S HN 0.339 nan 8.310 nan 0.000 0.382 79 E N 1.280 121.466 120.200 -0.024 0.000 2.357 79 E HA 0.090 4.440 4.350 0.001 0.000 0.194 79 E C 1.242 177.810 176.600 -0.053 0.000 1.177 79 E CA 0.351 56.733 56.400 -0.030 0.000 0.998 79 E CB -0.002 29.689 29.700 -0.014 0.000 1.106 79 E HN 0.822 nan 8.360 nan 0.000 0.470 80 A N 0.830 123.613 122.820 -0.061 0.000 2.251 80 A HA 0.044 4.365 4.320 0.001 0.000 0.209 80 A C 0.791 178.304 177.584 -0.118 0.000 1.187 80 A CA 0.268 52.257 52.037 -0.080 0.000 0.823 80 A CB 0.283 19.243 19.000 -0.066 0.000 0.846 80 A HN -0.060 nan 8.150 nan 0.000 0.486 81 K N 0.902 121.227 120.400 -0.126 0.000 2.443 81 K HA 0.455 4.776 4.320 0.001 0.000 0.252 81 K C -3.037 173.437 176.600 -0.210 0.000 0.933 81 K CA -1.986 54.198 56.287 -0.172 0.000 0.792 81 K CB 1.918 34.341 32.500 -0.129 0.000 1.185 81 K HN -0.024 nan 8.250 nan 0.000 0.425 82 P HA -0.023 nan 4.420 nan 0.000 0.269 82 P C -0.348 176.827 177.300 -0.209 0.000 1.209 82 P CA -0.242 62.648 63.100 -0.350 0.000 0.776 82 P CB 0.681 31.922 31.700 -0.766 0.000 0.876 83 S N 1.942 117.555 115.700 -0.145 0.000 2.634 83 S HA 0.186 4.656 4.470 0.001 0.000 0.261 83 S C 1.295 175.785 174.600 -0.183 0.000 1.271 83 S CA -0.544 57.571 58.200 -0.142 0.000 0.985 83 S CB 0.260 63.389 63.200 -0.119 0.000 0.968 83 S HN 0.219 nan 8.310 nan 0.000 0.568 84 M N 1.009 120.411 119.600 -0.329 0.000 2.229 84 M HA 0.035 4.515 4.480 0.001 0.000 0.264 84 M C 2.300 178.305 176.300 -0.492 0.000 1.063 84 M CA 1.578 56.574 55.300 -0.507 0.000 1.114 84 M CB -2.141 29.867 32.600 -0.986 0.000 1.387 84 M HN 0.965 nan 8.290 nan 0.000 0.420 85 G N -0.075 108.460 108.800 -0.443 0.000 2.422 85 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 85 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 85 G C 1.516 176.381 174.900 -0.059 0.000 1.146 85 G CA 0.399 45.382 45.100 -0.196 0.000 0.769 85 G HN 0.500 nan 8.290 nan 0.000 0.547 86 Q N -0.683 119.104 119.800 -0.021 0.000 2.167 86 Q HA 0.029 4.369 4.340 0.001 0.000 0.202 86 Q C 2.433 178.570 176.000 0.228 0.000 0.970 86 Q CA 0.785 56.657 55.803 0.116 0.000 0.855 86 Q CB -0.211 28.606 28.738 0.132 0.000 0.911 86 Q HN 0.425 nan 8.270 nan 0.000 0.438 87 L N 0.807 122.131 121.223 0.169 0.000 2.046 87 L HA -0.131 4.210 4.340 0.001 0.000 0.208 87 L C 2.140 179.070 176.870 0.101 0.000 1.077 87 L CA 2.047 57.004 54.840 0.195 0.000 0.747 87 L CB -0.823 41.288 42.059 0.087 0.000 0.896 87 L HN 0.119 nan 8.230 nan 0.000 0.432 88 A N -0.366 122.461 122.820 0.011 0.000 1.883 88 A HA -0.211 4.109 4.320 0.001 0.000 0.217 88 A C 2.288 179.849 177.584 -0.037 0.000 1.186 88 A CA 2.215 54.242 52.037 -0.017 0.000 0.624 88 A CB -0.997 17.980 19.000 -0.038 0.000 0.822 88 A HN 0.520 nan 8.150 nan 0.000 0.444 89 L N -2.216 118.989 121.223 -0.029 0.000 2.093 89 L HA -0.184 4.157 4.340 0.001 0.000 0.208 89 L C 2.551 179.372 176.870 -0.082 0.000 1.085 89 L CA 1.602 56.400 54.840 -0.070 0.000 0.755 89 L CB -0.601 41.445 42.059 -0.022 0.000 0.904 89 L HN 0.602 nan 8.230 nan 0.000 0.435 90 Y N 0.470 120.621 120.300 -0.248 0.000 2.165 90 Y HA -0.298 4.253 4.550 0.001 0.000 0.286 90 Y C 2.241 178.019 175.900 -0.204 0.000 1.155 90 Y CA 1.539 59.406 58.100 -0.388 0.000 1.164 90 Y CB -0.194 37.832 38.460 -0.723 0.000 0.978 90 Y HN -0.014 nan 8.280 nan 0.000 0.513 91 L N -0.071 121.023 121.223 -0.215 0.000 2.079 91 L HA -0.253 4.087 4.340 0.001 0.000 0.210 91 L C 2.423 179.276 176.870 -0.028 0.000 1.081 91 L CA 1.518 56.257 54.840 -0.169 0.000 0.752 91 L CB -0.940 41.079 42.059 -0.068 0.000 0.896 91 L HN 0.325 nan 8.230 nan 0.000 0.433 92 L N -1.428 119.729 121.223 -0.110 0.000 2.046 92 L HA -0.204 4.137 4.340 0.001 0.000 0.208 92 L C 2.683 179.483 176.870 -0.115 0.000 1.077 92 L CA 1.172 55.926 54.840 -0.142 0.000 0.747 92 L CB -0.951 40.957 42.059 -0.251 0.000 0.896 92 L HN 0.287 nan 8.230 nan 0.000 0.432 93 A N 0.445 123.193 122.820 -0.120 0.000 1.908 93 A HA -0.198 4.123 4.320 0.001 0.000 0.218 93 A C 2.269 179.798 177.584 -0.092 0.000 1.181 93 A CA 1.562 53.587 52.037 -0.020 0.000 0.627 93 A CB -0.708 18.212 19.000 -0.134 0.000 0.818 93 A HN 0.370 nan 8.150 nan 0.000 0.445 94 L N -1.386 119.675 121.223 -0.271 0.000 2.046 94 L HA -0.179 4.161 4.340 0.001 0.000 0.208 94 L C 2.876 179.660 176.870 -0.144 0.000 1.077 94 L CA 1.070 55.783 54.840 -0.212 0.000 0.747 94 L CB -0.542 41.389 42.059 -0.214 0.000 0.896 94 L HN 0.252 nan 8.230 nan 0.000 0.432 95 R N 0.415 120.791 120.500 -0.206 0.000 2.091 95 R HA -0.124 4.216 4.340 0.001 0.000 0.238 95 R C 2.304 178.492 176.300 -0.186 0.000 1.136 95 R CA 1.537 57.436 56.100 -0.335 0.000 0.959 95 R CB -1.157 28.897 30.300 -0.409 0.000 0.856 95 R HN 0.366 nan 8.270 nan 0.000 0.437 96 A N 0.981 123.757 122.820 -0.073 0.000 2.024 96 A HA -0.188 4.132 4.320 0.001 0.000 0.220 96 A C 1.774 179.376 177.584 0.030 0.000 1.164 96 A CA 1.765 53.796 52.037 -0.009 0.000 0.643 96 A CB -0.491 18.539 19.000 0.051 0.000 0.806 96 A HN 0.329 nan 8.150 nan 0.000 0.451 97 N N -1.435 117.312 118.700 0.077 0.000 2.313 97 N HA 0.077 4.818 4.740 0.001 0.000 0.207 97 N C -0.035 175.463 175.510 -0.019 0.000 1.141 97 N CA 0.495 53.589 53.050 0.074 0.000 0.830 97 N CB -0.847 37.710 38.487 0.117 0.000 1.008 97 N HN 0.355 nan 8.380 nan 0.000 0.481 98 c N 0.740 119.285 118.600 -0.092 0.000 4.356 98 c HA -0.173 4.398 4.570 0.001 0.000 0.296 98 c C -0.229 173.761 174.090 -0.166 0.000 1.424 98 c CA 0.303 56.543 56.329 -0.148 0.000 2.000 98 c CB -2.596 39.869 42.510 -0.075 0.000 1.262 98 c HN 0.486 nan 8.230 nan 0.000 0.789 99 E N -1.128 118.959 120.200 -0.189 0.000 2.207 99 E HA 0.699 5.049 4.350 0.001 0.000 0.270 99 E C -0.459 176.008 176.600 -0.221 0.000 0.927 99 E CA -0.634 55.695 56.400 -0.119 0.000 0.799 99 E CB 1.108 30.791 29.700 -0.027 0.000 1.172 99 E HN 0.280 nan 8.360 nan 0.000 0.404 100 F N 1.311 121.305 119.950 0.074 0.000 2.399 100 F HA 0.326 4.853 4.527 0.001 0.000 0.334 100 F C 0.569 176.468 175.800 0.165 0.000 1.097 100 F CA -0.873 57.244 58.000 0.194 0.000 1.076 100 F CB 0.822 39.895 39.000 0.122 0.000 1.162 100 F HN 0.367 nan 8.300 nan 0.000 0.495 101 I N 2.356 123.121 120.570 0.325 0.000 2.683 101 I HA 0.418 4.589 4.170 0.001 0.000 0.286 101 I C 0.336 176.503 176.117 0.083 0.000 1.175 101 I CA 0.989 62.294 61.300 0.008 0.000 1.429 101 I CB -0.250 37.554 38.000 -0.327 0.000 1.371 101 I HN 0.631 nan 8.210 nan 0.000 0.569 102 G N 3.839 112.673 108.800 0.057 0.000 2.682 102 G HA2 0.619 4.580 3.960 0.001 0.000 0.290 102 G HA3 0.619 4.580 3.960 0.001 0.000 0.290 102 G C -0.475 174.447 174.900 0.035 0.000 1.425 102 G CA -0.272 44.861 45.100 0.055 0.000 0.807 102 G HN 1.215 nan 8.290 nan 0.000 0.482 103 G N -0.596 108.222 108.800 0.029 0.000 2.752 103 G HA2 -0.218 3.742 3.960 0.001 0.000 0.234 103 G HA3 -0.218 3.742 3.960 0.001 0.000 0.234 103 G C 0.908 175.818 174.900 0.015 0.000 1.367 103 G CA 0.602 45.714 45.100 0.021 0.000 0.879 103 G HN 0.838 nan 8.290 nan 0.000 0.563 104 R N -0.078 120.430 120.500 0.012 0.000 2.066 104 R HA -0.034 4.307 4.340 0.001 0.000 0.232 104 R C 2.851 179.155 176.300 0.008 0.000 1.131 104 R CA 1.711 57.816 56.100 0.008 0.000 0.955 104 R CB -0.275 30.029 30.300 0.006 0.000 0.851 104 R HN 0.497 nan 8.270 nan 0.000 0.432 105 K N -0.358 120.048 120.400 0.009 0.000 2.026 105 K HA -0.082 4.239 4.320 0.001 0.000 0.208 105 K C 2.147 178.757 176.600 0.016 0.000 1.048 105 K CA 1.553 57.845 56.287 0.009 0.000 0.929 105 K CB -0.684 31.822 32.500 0.009 0.000 0.713 105 K HN 0.302 nan 8.250 nan 0.000 0.439 106 G N 2.408 111.221 108.800 0.021 0.000 2.476 106 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 106 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 106 G C 1.118 176.020 174.900 0.003 0.000 1.164 106 G CA 1.144 46.253 45.100 0.016 0.000 0.768 106 G HN 0.241 nan 8.290 nan 0.000 0.560 107 D N 0.295 120.698 120.400 0.005 0.000 2.144 107 D HA -0.051 4.590 4.640 0.001 0.000 0.199 107 D C 2.661 178.964 176.300 0.005 0.000 0.984 107 D CA 0.553 54.556 54.000 0.004 0.000 0.834 107 D CB -0.231 40.572 40.800 0.006 0.000 0.955 107 D HN 0.280 nan 8.370 nan 0.000 0.465 108 R N 0.078 120.581 120.500 0.006 0.000 2.081 108 R HA -0.019 4.322 4.340 0.001 0.000 0.235 108 R C 2.539 178.843 176.300 0.008 0.000 1.131 108 R CA 0.611 56.714 56.100 0.005 0.000 0.960 108 R CB -0.324 29.977 30.300 0.001 0.000 0.856 108 R HN 0.235 nan 8.270 nan 0.000 0.436 109 L N 0.144 121.373 121.223 0.011 0.000 2.056 109 L HA -0.157 4.184 4.340 0.001 0.000 0.207 109 L C 2.430 179.308 176.870 0.014 0.000 1.078 109 L CA 0.915 55.766 54.840 0.019 0.000 0.749 109 L CB -0.496 41.590 42.059 0.046 0.000 0.901 109 L HN 0.019 nan 8.230 nan 0.000 0.433 110 V N -0.614 119.301 119.914 0.001 0.000 2.287 110 V HA -0.307 3.813 4.120 0.001 0.000 0.248 110 V C 2.606 178.711 176.094 0.018 0.000 1.053 110 V CA 2.158 64.457 62.300 -0.001 0.000 1.027 110 V CB -0.535 31.281 31.823 -0.011 0.000 0.646 110 V HN 0.394 nan 8.190 nan 0.000 0.447 111 S N -0.722 114.989 115.700 0.017 0.000 2.370 111 S HA -0.285 4.185 4.470 0.001 0.000 0.226 111 S C 1.979 176.600 174.600 0.034 0.000 1.033 111 S CA 1.658 59.872 58.200 0.023 0.000 1.011 111 S CB -0.352 62.859 63.200 0.017 0.000 0.852 111 S HN 0.676 nan 8.310 nan 0.000 0.457 112 Q N 0.057 119.877 119.800 0.032 0.000 2.084 112 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 112 Q C 2.220 178.268 176.000 0.079 0.000 0.978 112 Q CA 1.031 56.861 55.803 0.045 0.000 0.844 112 Q CB -0.301 28.451 28.738 0.023 0.000 0.898 112 Q HN 0.344 nan 8.270 nan 0.000 0.426 113 L N 1.217 122.480 121.223 0.067 0.000 2.072 113 L HA -0.136 4.204 4.340 0.001 0.000 0.205 113 L C 1.859 178.812 176.870 0.139 0.000 1.079 113 L CA 1.796 56.696 54.840 0.101 0.000 0.752 113 L CB -0.266 41.824 42.059 0.052 0.000 0.906 113 L HN -0.010 nan 8.230 nan 0.000 0.436 114 K N -0.381 120.066 120.400 0.078 0.000 2.063 114 K HA -0.214 4.106 4.320 0.001 0.000 0.208 114 K C 2.083 178.716 176.600 0.056 0.000 1.048 114 K CA 1.904 58.224 56.287 0.054 0.000 0.928 114 K CB -0.212 32.311 32.500 0.039 0.000 0.713 114 K HN 0.489 nan 8.250 nan 0.000 0.442 115 R N 0.247 120.790 120.500 0.072 0.000 2.092 115 R HA -0.114 4.226 4.340 0.001 0.000 0.231 115 R C 2.220 178.571 176.300 0.086 0.000 1.119 115 R CA 1.339 57.476 56.100 0.062 0.000 0.970 115 R CB -0.964 29.369 30.300 0.054 0.000 0.864 115 R HN 0.095 nan 8.270 nan 0.000 0.440 116 F N 2.378 122.327 119.950 -0.002 0.000 2.091 116 F HA -0.173 4.355 4.527 0.001 0.000 0.299 116 F C 1.867 177.674 175.800 0.013 0.000 1.103 116 F CA 1.577 59.580 58.000 0.006 0.000 1.228 116 F CB -0.253 38.749 39.000 0.003 0.000 0.984 116 F HN -0.051 nan 8.300 nan 0.000 0.477 117 L N -0.215 120.924 121.223 -0.141 0.000 2.056 117 L HA -0.177 4.163 4.340 0.001 0.000 0.207 117 L C 2.455 179.240 176.870 -0.142 0.000 1.078 117 L CA 1.676 56.341 54.840 -0.291 0.000 0.749 117 L CB -0.785 41.131 42.059 -0.239 0.000 0.901 117 L HN 0.154 nan 8.230 nan 0.000 0.433 118 E N 0.411 120.568 120.200 -0.071 0.000 2.077 118 E HA -0.218 4.132 4.350 0.001 0.000 0.193 118 E C 1.759 178.330 176.600 -0.049 0.000 0.989 118 E CA 1.342 57.723 56.400 -0.032 0.000 0.800 118 E CB 0.009 29.698 29.700 -0.018 0.000 0.746 118 E HN 0.339 nan 8.360 nan 0.000 0.452 119 D N 0.264 120.617 120.400 -0.079 0.000 2.117 119 D HA -0.153 4.488 4.640 0.001 0.000 0.197 119 D C 1.737 177.959 176.300 -0.130 0.000 0.987 119 D CA 0.904 54.852 54.000 -0.087 0.000 0.829 119 D CB -0.106 40.653 40.800 -0.068 0.000 0.961 119 D HN 0.239 nan 8.370 nan 0.000 0.460 120 E N 0.709 120.778 120.200 -0.218 0.000 2.106 120 E HA -0.141 4.209 4.350 0.001 0.000 0.192 120 E C 1.980 178.528 176.600 -0.087 0.000 0.984 120 E CA 0.468 56.751 56.400 -0.196 0.000 0.806 120 E CB -0.136 29.404 29.700 -0.267 0.000 0.750 120 E HN 0.343 nan 8.360 nan 0.000 0.458 121 K N 1.041 121.468 120.400 0.045 0.000 2.063 121 K HA -0.146 4.174 4.320 0.001 0.000 0.208 121 K C 2.127 178.702 176.600 -0.043 0.000 1.048 121 K CA 1.102 57.412 56.287 0.039 0.000 0.928 121 K CB 0.078 32.644 32.500 0.110 0.000 0.713 121 K HN -0.046 nan 8.250 nan 0.000 0.442 122 R N -0.162 120.312 120.500 -0.044 0.000 2.092 122 R HA -0.054 4.287 4.340 0.001 0.000 0.231 122 R C 2.383 178.644 176.300 -0.065 0.000 1.119 122 R CA 1.026 57.098 56.100 -0.046 0.000 0.970 122 R CB -0.319 29.958 30.300 -0.038 0.000 0.864 122 R HN 0.255 nan 8.270 nan 0.000 0.440 123 A N 1.349 124.115 122.820 -0.090 0.000 1.940 123 A HA -0.146 4.175 4.320 0.001 0.000 0.219 123 A C 2.143 179.646 177.584 -0.135 0.000 1.176 123 A CA 1.240 53.214 52.037 -0.105 0.000 0.631 123 A CB -0.421 18.506 19.000 -0.123 0.000 0.814 123 A HN 0.171 nan 8.150 nan 0.000 0.446 124 I N -1.349 119.119 120.570 -0.169 0.000 2.233 124 I HA 0.100 4.270 4.170 0.001 0.000 0.243 124 I C 1.760 177.678 176.117 -0.332 0.000 1.093 124 I CA 0.921 62.095 61.300 -0.209 0.000 1.380 124 I CB -0.767 37.112 38.000 -0.202 0.000 1.067 124 I HN 0.575 nan 8.210 nan 0.000 0.413 125 G N 0.075 108.725 108.800 -0.250 0.000 2.553 125 G HA2 -0.326 3.634 3.960 0.001 0.000 0.242 125 G HA3 -0.326 3.634 3.960 0.001 0.000 0.242 125 G C -0.104 174.637 174.900 -0.266 0.000 1.277 125 G CA -0.017 44.929 45.100 -0.256 0.000 0.910 125 G HN 0.378 nan 8.290 nan 0.000 0.576 126 H N 2.659 121.542 119.070 -0.312 0.000 4.313 126 H HA 0.186 4.742 4.556 0.001 0.000 0.194 126 H C 1.712 176.801 175.328 -0.399 0.000 1.339 126 H CA 0.963 56.899 56.048 -0.187 0.000 1.317 126 H CB -1.053 28.772 29.762 0.105 0.000 1.521 126 H HN 0.556 nan 8.280 nan 0.000 0.809 127 N N -0.721 117.655 118.700 -0.539 0.000 2.895 127 N HA -0.278 4.463 4.740 0.001 0.000 0.237 127 N C 0.931 176.231 175.510 -0.350 0.000 0.934 127 N CA 1.593 54.301 53.050 -0.569 0.000 0.984 127 N CB -1.053 36.735 38.487 -1.166 0.000 1.089 127 N HN 0.745 nan 8.380 nan 0.000 0.604 128 H N 0.377 119.397 119.070 -0.083 0.000 1.758 128 H HA 0.074 4.631 4.556 0.001 0.000 0.283 128 H C 0.789 176.114 175.328 -0.005 0.000 1.843 128 H CA 0.075 56.108 56.048 -0.024 0.000 1.369 128 H CB -0.403 29.349 29.762 -0.017 0.000 1.738 128 H HN -0.014 nan 8.280 nan 0.000 0.541 129 Q N 1.932 121.899 119.800 0.279 0.000 2.385 129 Q HA 0.143 4.484 4.340 0.001 0.000 0.273 129 Q C -0.747 175.300 176.000 0.079 0.000 1.281 129 Q CA 0.632 56.512 55.803 0.128 0.000 0.952 129 Q CB -0.925 27.855 28.738 0.071 0.000 1.419 129 Q HN 0.790 nan 8.270 nan 0.000 0.472 130 G N 4.068 112.838 108.800 -0.050 0.000 2.596 130 G HA2 0.314 4.274 3.960 0.001 0.000 0.300 130 G HA3 0.314 4.274 3.960 0.001 0.000 0.300 130 G C -1.633 173.255 174.900 -0.020 0.000 1.370 130 G CA -0.770 44.252 45.100 -0.131 0.000 1.170 130 G HN 0.712 nan 8.290 nan 0.000 0.594 131 H N 1.666 120.661 119.070 -0.126 0.000 2.567 131 H HA 0.553 5.109 4.556 0.001 0.000 0.345 131 H C -2.172 173.000 175.328 -0.260 0.000 1.169 131 H CA -2.231 53.709 56.048 -0.180 0.000 1.227 131 H CB 2.125 31.777 29.762 -0.183 0.000 1.607 131 H HN 0.273 nan 8.280 nan 0.000 0.534 132 P HA -0.059 nan 4.420 nan 0.000 0.267 132 P C 0.708 177.927 177.300 -0.136 0.000 1.200 132 P CA 0.034 62.960 63.100 -0.290 0.000 0.772 132 P CB 0.967 32.400 31.700 -0.445 0.000 0.855 133 R N 1.421 121.865 120.500 -0.093 0.000 2.096 133 R HA -0.121 4.219 4.340 0.001 0.000 0.235 133 R C 1.286 177.608 176.300 0.036 0.000 1.127 133 R CA 2.311 58.396 56.100 -0.025 0.000 0.968 133 R CB -0.442 29.861 30.300 0.006 0.000 0.861 133 R HN 0.684 nan 8.270 nan 0.000 0.440 134 T N -2.388 112.216 114.554 0.084 0.000 3.538 134 T HA 0.179 4.530 4.350 0.001 0.000 0.204 134 T C 0.760 175.538 174.700 0.130 0.000 0.870 134 T CA 0.246 62.440 62.100 0.158 0.000 1.727 134 T CB -0.041 69.003 68.868 0.293 0.000 1.685 134 T HN 0.308 nan 8.240 nan 0.000 0.454 135 S N -0.922 114.857 115.700 0.132 0.000 2.587 135 S HA 0.472 4.942 4.470 0.001 0.000 0.269 135 S C -0.202 174.443 174.600 0.074 0.000 1.154 135 S CA -0.879 57.394 58.200 0.121 0.000 0.824 135 S CB 0.488 63.835 63.200 0.245 0.000 1.118 135 S HN 0.289 nan 8.310 nan 0.000 0.462 136 Y N 0.026 120.417 120.300 0.152 0.000 2.403 136 Y HA -0.032 4.519 4.550 0.001 0.000 0.291 136 Y C 2.155 178.190 175.900 0.226 0.000 1.143 136 Y CA 1.663 59.848 58.100 0.141 0.000 1.257 136 Y CB -0.545 37.952 38.460 0.061 0.000 0.984 136 Y HN 0.872 nan 8.280 nan 0.000 0.550 137 Y N 0.962 121.411 120.300 0.249 0.000 2.097 137 Y HA -0.329 4.221 4.550 0.001 0.000 0.282 137 Y C 2.332 178.344 175.900 0.186 0.000 1.152 137 Y CA 2.033 60.241 58.100 0.181 0.000 1.136 137 Y CB -0.424 38.114 38.460 0.130 0.000 0.975 137 Y HN 0.123 nan 8.280 nan 0.000 0.498 138 Q N -1.567 118.488 119.800 0.424 0.000 2.170 138 Q HA -0.251 4.089 4.340 0.001 0.000 0.203 138 Q C 2.030 178.244 176.000 0.356 0.000 0.976 138 Q CA 1.729 57.739 55.803 0.345 0.000 0.858 138 Q CB -0.451 28.512 28.738 0.374 0.000 0.907 138 Q HN 0.645 nan 8.270 nan 0.000 0.433 139 Y N 1.049 121.478 120.300 0.215 0.000 2.145 139 Y HA -0.261 4.290 4.550 0.001 0.000 0.286 139 Y C 2.500 178.463 175.900 0.105 0.000 1.145 139 Y CA 1.787 59.980 58.100 0.154 0.000 1.148 139 Y CB -0.061 38.446 38.460 0.079 0.000 0.981 139 Y HN -0.004 nan 8.280 nan 0.000 0.507 140 S N 0.143 115.974 115.700 0.219 0.000 2.368 140 S HA -0.194 4.276 4.470 0.001 0.000 0.225 140 S C 1.876 176.429 174.600 -0.078 0.000 1.030 140 S CA 1.363 59.572 58.200 0.015 0.000 0.999 140 S CB -0.735 62.419 63.200 -0.076 0.000 0.844 140 S HN 0.435 nan 8.310 nan 0.000 0.459 141 L N 2.210 123.372 121.223 -0.101 0.000 2.046 141 L HA 0.020 4.360 4.340 0.001 0.000 0.208 141 L C 2.266 179.109 176.870 -0.046 0.000 1.077 141 L CA 2.066 56.838 54.840 -0.114 0.000 0.747 141 L CB -1.403 40.579 42.059 -0.129 0.000 0.896 141 L HN 0.297 nan 8.230 nan 0.000 0.432 142 G N -0.114 108.693 108.800 0.012 0.000 2.446 142 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 142 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 142 G C 1.639 176.525 174.900 -0.023 0.000 1.168 142 G CA 1.314 46.429 45.100 0.024 0.000 0.771 142 G HN 0.491 nan 8.290 nan 0.000 0.551 143 I N 0.167 120.694 120.570 -0.072 0.000 2.179 143 I HA -0.138 4.032 4.170 0.001 0.000 0.242 143 I C 2.601 178.708 176.117 -0.017 0.000 1.088 143 I CA 0.737 62.003 61.300 -0.056 0.000 1.357 143 I CB -0.287 37.675 38.000 -0.063 0.000 1.051 143 I HN 0.195 nan 8.210 nan 0.000 0.409 144 L N 1.378 122.581 121.223 -0.033 0.000 2.042 144 L HA -0.164 4.176 4.340 0.001 0.000 0.210 144 L C 2.524 179.391 176.870 -0.004 0.000 1.076 144 L CA 2.225 57.052 54.840 -0.022 0.000 0.749 144 L CB -0.777 41.255 42.059 -0.044 0.000 0.893 144 L HN 0.179 nan 8.230 nan 0.000 0.432 145 A N -0.650 122.164 122.820 -0.010 0.000 1.930 145 A HA -0.107 4.213 4.320 0.001 0.000 0.217 145 A C 2.259 179.905 177.584 0.105 0.000 1.175 145 A CA 1.760 53.811 52.037 0.024 0.000 0.627 145 A CB -0.826 18.171 19.000 -0.005 0.000 0.815 145 A HN 0.514 nan 8.150 nan 0.000 0.443 146 L N -0.965 120.299 121.223 0.068 0.000 2.017 146 L HA -0.237 4.103 4.340 0.001 0.000 0.208 146 L C 2.833 179.775 176.870 0.120 0.000 1.073 146 L CA 1.454 56.348 54.840 0.090 0.000 0.745 146 L CB -0.696 41.393 42.059 0.049 0.000 0.894 146 L HN 0.652 nan 8.230 nan 0.000 0.432 147 c N 0.008 118.656 118.600 0.079 0.000 2.413 147 c HA -0.121 4.449 4.570 0.001 0.000 0.276 147 c C 2.879 177.019 174.090 0.084 0.000 1.248 147 c CA 1.087 57.461 56.329 0.075 0.000 1.742 147 c CB -0.624 41.918 42.510 0.054 0.000 2.017 147 c HN 0.509 nan 8.230 nan 0.000 0.481 148 V N -1.686 118.261 119.914 0.055 0.000 2.913 148 V HA -0.062 4.059 4.120 0.001 0.000 0.260 148 V C 2.002 178.066 176.094 -0.049 0.000 1.098 148 V CA 2.075 64.364 62.300 -0.017 0.000 1.121 148 V CB -1.317 30.446 31.823 -0.099 0.000 0.714 148 V HN 0.704 nan 8.190 nan 0.000 0.487 149 H N 0.420 119.565 119.070 0.125 0.000 2.529 149 H HA 0.244 4.800 4.556 0.001 0.000 0.277 149 H C 0.463 175.955 175.328 0.272 0.000 1.004 149 H CA 0.457 56.677 56.048 0.286 0.000 1.167 149 H CB 0.351 30.220 29.762 0.178 0.000 1.445 149 H HN 0.512 nan 8.280 nan 0.000 0.554 150 Q N 0.413 120.361 119.800 0.247 0.000 2.475 150 Q HA -0.169 4.171 4.340 0.001 0.000 0.280 150 Q C -0.448 175.604 176.000 0.086 0.000 1.234 150 Q CA 0.725 56.602 55.803 0.123 0.000 0.873 150 Q CB -1.286 27.484 28.738 0.052 0.000 1.256 150 Q HN 0.410 nan 8.270 nan 0.000 0.475 151 K N 0.756 121.222 120.400 0.110 0.000 2.185 151 K HA 0.444 4.765 4.320 0.001 0.000 0.269 151 K C 0.405 177.038 176.600 0.056 0.000 0.987 151 K CA -0.567 55.763 56.287 0.072 0.000 0.865 151 K CB 1.793 34.337 32.500 0.073 0.000 1.090 151 K HN 0.119 nan 8.250 nan 0.000 0.450 152 R N 1.570 122.095 120.500 0.040 0.000 2.404 152 R HA 0.351 4.691 4.340 0.001 0.000 0.291 152 R C -0.127 176.196 176.300 0.038 0.000 1.025 152 R CA -0.558 55.563 56.100 0.034 0.000 0.991 152 R CB 1.097 31.410 30.300 0.022 0.000 1.053 152 R HN 0.495 nan 8.270 nan 0.000 0.479 153 V N 0.393 120.331 119.914 0.040 0.000 2.881 153 V HA 0.360 4.481 4.120 0.001 0.000 0.316 153 V C 0.216 176.355 176.094 0.075 0.000 1.070 153 V CA -0.975 61.359 62.300 0.057 0.000 0.976 153 V CB 1.534 33.380 31.823 0.037 0.000 1.038 153 V HN 0.774 nan 8.190 nan 0.000 0.446 154 H N 1.554 120.638 119.070 0.023 0.000 2.972 154 H HA 0.035 4.591 4.556 0.001 0.000 0.343 154 H C 0.646 175.999 175.328 0.042 0.000 1.054 154 H CA 1.014 57.080 56.048 0.030 0.000 1.412 154 H CB 1.296 31.076 29.762 0.029 0.000 1.385 154 H HN 0.939 nan 8.280 nan 0.000 0.600 155 D N 2.390 122.607 120.400 -0.305 0.000 2.170 155 D HA -0.236 4.404 4.640 0.001 0.000 0.193 155 D C 2.138 178.528 176.300 0.151 0.000 1.004 155 D CA 2.180 56.126 54.000 -0.089 0.000 0.860 155 D CB -0.232 40.451 40.800 -0.194 0.000 0.931 155 D HN 0.650 nan 8.370 nan 0.000 0.448 156 S N -0.377 115.593 115.700 0.450 0.000 2.399 156 S HA -0.111 4.360 4.470 0.001 0.000 0.231 156 S C 2.195 176.927 174.600 0.220 0.000 1.022 156 S CA 0.884 59.261 58.200 0.296 0.000 0.983 156 S CB -0.556 62.782 63.200 0.230 0.000 0.803 156 S HN 0.133 nan 8.310 nan 0.000 0.480 157 V N 1.749 121.805 119.914 0.237 0.000 2.307 157 V HA -0.113 4.007 4.120 0.001 0.000 0.245 157 V C 2.687 178.951 176.094 0.283 0.000 1.045 157 V CA 1.648 64.083 62.300 0.225 0.000 1.024 157 V CB -0.784 31.105 31.823 0.110 0.000 0.651 157 V HN 0.470 nan 8.190 nan 0.000 0.449 158 V N 1.069 121.111 119.914 0.214 0.000 2.407 158 V HA -0.175 3.945 4.120 0.001 0.000 0.248 158 V C 2.669 178.922 176.094 0.264 0.000 1.055 158 V CA 2.025 64.473 62.300 0.246 0.000 1.049 158 V CB -1.531 30.397 31.823 0.176 0.000 0.662 158 V HN 0.616 nan 8.190 nan 0.000 0.455 159 G N 0.189 109.106 108.800 0.195 0.000 2.469 159 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 159 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 159 G C 1.645 176.649 174.900 0.173 0.000 1.136 159 G CA 0.750 45.941 45.100 0.153 0.000 0.759 159 G HN 0.407 nan 8.290 nan 0.000 0.562 160 K N -0.177 120.337 120.400 0.191 0.000 2.097 160 K HA 0.031 4.351 4.320 0.001 0.000 0.205 160 K C 2.379 179.094 176.600 0.192 0.000 1.050 160 K CA 0.535 56.904 56.287 0.138 0.000 0.938 160 K CB -0.669 31.863 32.500 0.054 0.000 0.718 160 K HN 0.349 nan 8.250 nan 0.000 0.442 161 L N 1.442 122.857 121.223 0.320 0.000 2.027 161 L HA -0.085 4.256 4.340 0.001 0.000 0.206 161 L C 2.183 179.239 176.870 0.312 0.000 1.074 161 L CA 1.301 56.340 54.840 0.331 0.000 0.745 161 L CB -0.563 41.802 42.059 0.509 0.000 0.898 161 L HN 0.045 nan 8.230 nan 0.000 0.433 162 L N -1.888 119.523 121.223 0.313 0.000 1.989 162 L HA -0.303 4.038 4.340 0.001 0.000 0.211 162 L C 2.520 179.463 176.870 0.122 0.000 1.071 162 L CA 1.877 56.805 54.840 0.147 0.000 0.749 162 L CB -0.908 41.172 42.059 0.035 0.000 0.890 162 L HN 0.315 nan 8.230 nan 0.000 0.431 163 Y N 0.503 120.817 120.300 0.023 0.000 2.165 163 Y HA -0.318 4.233 4.550 0.001 0.000 0.286 163 Y C 2.474 178.363 175.900 -0.018 0.000 1.155 163 Y CA 1.412 59.508 58.100 -0.007 0.000 1.164 163 Y CB -0.283 38.125 38.460 -0.087 0.000 0.978 163 Y HN 0.136 nan 8.280 nan 0.000 0.513 164 A N -0.909 121.965 122.820 0.090 0.000 1.902 164 A HA -0.160 4.160 4.320 0.001 0.000 0.217 164 A C 2.353 179.858 177.584 -0.132 0.000 1.181 164 A CA 1.989 53.927 52.037 -0.164 0.000 0.623 164 A CB -1.292 17.259 19.000 -0.748 0.000 0.818 164 A HN 0.329 nan 8.150 nan 0.000 0.443 165 V N -0.127 119.769 119.914 -0.030 0.000 2.358 165 V HA -0.248 3.872 4.120 0.001 0.000 0.246 165 V C 2.432 178.531 176.094 0.009 0.000 1.047 165 V CA 2.339 64.667 62.300 0.046 0.000 1.035 165 V CB -0.740 31.189 31.823 0.176 0.000 0.658 165 V HN 0.650 nan 8.190 nan 0.000 0.452 166 E N -1.388 118.791 120.200 -0.035 0.000 2.047 166 E HA -0.098 4.252 4.350 0.001 0.000 0.191 166 E C 0.712 177.216 176.600 -0.161 0.000 0.987 166 E CA 0.724 57.073 56.400 -0.085 0.000 0.799 166 E CB -0.004 29.663 29.700 -0.054 0.000 0.752 166 E HN 0.632 nan 8.360 nan 0.000 0.449 167 H N 0.358 119.226 119.070 -0.336 0.000 2.488 167 H HA 0.168 4.725 4.556 0.001 0.000 0.347 167 H C 0.564 175.808 175.328 -0.141 0.000 1.174 167 H CA -0.310 55.531 56.048 -0.345 0.000 1.307 167 H CB 0.806 30.139 29.762 -0.716 0.000 1.517 167 H HN -0.160 nan 8.280 nan 0.000 0.554 168 K N 1.704 122.078 120.400 -0.043 0.000 2.774 168 K HA 0.068 4.388 4.320 0.001 0.000 0.297 168 K C -1.694 174.938 176.600 0.054 0.000 1.044 168 K CA -1.107 55.172 56.287 -0.014 0.000 1.011 168 K CB -0.669 31.802 32.500 -0.047 0.000 1.214 168 K HN 0.555 nan 8.250 nan 0.000 0.477 169 P HA -0.225 nan 4.420 nan 0.000 0.027 169 P C -0.843 176.532 177.300 0.125 0.000 0.971 169 P CA 1.150 64.296 63.100 0.078 0.000 1.030 169 P CB -1.273 30.467 31.700 0.066 0.000 1.895 170 H N -2.956 116.119 119.070 0.009 0.000 3.179 170 H HA -0.192 4.365 4.556 0.001 0.000 0.273 170 H C 0.753 176.094 175.328 0.021 0.000 0.741 170 H CA 0.306 56.359 56.048 0.008 0.000 0.842 170 H CB -0.779 28.990 29.762 0.012 0.000 1.456 170 H HN -0.067 nan 8.280 nan 0.000 0.294 171 L N 4.695 125.713 121.223 -0.342 0.000 2.005 171 L HA -0.038 4.303 4.340 0.001 0.000 0.207 171 L C 0.960 177.607 176.870 -0.371 0.000 1.072 171 L CA 1.015 55.692 54.840 -0.272 0.000 0.744 171 L CB -0.367 41.580 42.059 -0.186 0.000 0.895 171 L HN 0.530 nan 8.230 nan 0.000 0.433 172 L N 1.142 121.977 121.223 -0.646 0.000 2.513 172 L HA -0.018 4.323 4.340 0.001 0.000 0.272 172 L C 0.602 177.402 176.870 -0.116 0.000 1.187 172 L CA 0.501 55.163 54.840 -0.297 0.000 0.895 172 L CB -0.611 41.349 42.059 -0.165 0.000 1.147 172 L HN 0.275 nan 8.230 nan 0.000 0.483 173 Q N 2.065 121.902 119.800 0.061 0.000 2.421 173 Q HA -0.054 4.287 4.340 0.001 0.000 0.255 173 Q C 0.861 176.958 176.000 0.162 0.000 1.013 173 Q CA -0.192 55.698 55.803 0.145 0.000 0.895 173 Q CB 0.870 29.757 28.738 0.249 0.000 1.271 173 Q HN 0.543 nan 8.270 nan 0.000 0.460 174 D N 1.051 121.551 120.400 0.167 0.000 2.133 174 D HA -0.251 4.390 4.640 0.001 0.000 0.192 174 D C 1.646 178.025 176.300 0.131 0.000 1.001 174 D CA 1.746 55.837 54.000 0.153 0.000 0.844 174 D CB 0.134 41.019 40.800 0.141 0.000 0.944 174 D HN 0.659 nan 8.370 nan 0.000 0.447 175 H N -0.136 118.964 119.070 0.049 0.000 2.352 175 H HA -0.111 4.446 4.556 0.001 0.000 0.299 175 H C 1.936 177.261 175.328 -0.005 0.000 1.097 175 H CA 2.655 58.699 56.048 -0.007 0.000 1.311 175 H CB -0.101 29.599 29.762 -0.104 0.000 1.377 175 H HN 0.128 nan 8.280 nan 0.000 0.504 176 V N -2.453 117.437 119.914 -0.040 0.000 3.506 176 V HA 0.068 4.188 4.120 0.001 0.000 0.263 176 V C 2.235 178.355 176.094 0.043 0.000 1.203 176 V CA 0.998 63.270 62.300 -0.045 0.000 1.133 176 V CB -0.200 31.691 31.823 0.112 0.000 0.802 176 V HN 0.387 nan 8.190 nan 0.000 0.459 177 S N 0.984 116.732 115.700 0.080 0.000 2.349 177 S HA -0.163 4.308 4.470 0.001 0.000 0.216 177 S C 1.921 176.603 174.600 0.136 0.000 1.033 177 S CA 2.218 60.510 58.200 0.154 0.000 1.021 177 S CB -0.359 62.974 63.200 0.221 0.000 0.968 177 S HN 0.487 nan 8.310 nan 0.000 0.426 178 V N 2.318 122.295 119.914 0.105 0.000 2.282 178 V HA -0.223 3.898 4.120 0.001 0.000 0.249 178 V C 2.043 178.200 176.094 0.106 0.000 1.057 178 V CA 2.498 64.856 62.300 0.097 0.000 1.032 178 V CB -1.184 30.709 31.823 0.116 0.000 0.645 178 V HN 0.534 nan 8.190 nan 0.000 0.447 179 D N -0.348 120.122 120.400 0.117 0.000 2.117 179 D HA -0.149 4.492 4.640 0.001 0.000 0.197 179 D C 2.203 178.686 176.300 0.305 0.000 0.987 179 D CA 1.798 55.918 54.000 0.201 0.000 0.829 179 D CB -0.461 40.423 40.800 0.140 0.000 0.961 179 D HN 0.389 nan 8.370 nan 0.000 0.460 180 T N 0.431 115.152 114.554 0.279 0.000 2.812 180 T HA -0.056 4.295 4.350 0.001 0.000 0.264 180 T C 1.981 176.749 174.700 0.114 0.000 1.042 180 T CA 0.781 63.042 62.100 0.268 0.000 1.140 180 T CB -0.117 68.910 68.868 0.265 0.000 0.870 180 T HN 0.137 nan 8.240 nan 0.000 0.445 181 M N 1.204 120.864 119.600 0.099 0.000 2.117 181 M HA -0.038 4.442 4.480 0.001 0.000 0.262 181 M C 2.848 179.149 176.300 0.001 0.000 1.065 181 M CA 1.552 56.883 55.300 0.051 0.000 1.114 181 M CB -0.850 31.786 32.600 0.059 0.000 1.361 181 M HN 0.298 nan 8.290 nan 0.000 0.408 182 A N 0.104 122.932 122.820 0.013 0.000 1.898 182 A HA -0.166 4.154 4.320 0.001 0.000 0.216 182 A C 2.164 179.719 177.584 -0.048 0.000 1.181 182 A CA 1.627 53.654 52.037 -0.016 0.000 0.620 182 A CB -0.522 18.485 19.000 0.011 0.000 0.819 182 A HN 0.433 nan 8.150 nan 0.000 0.442 183 M N 0.113 119.677 119.600 -0.062 0.000 2.156 183 M HA 0.079 4.560 4.480 0.001 0.000 0.264 183 M C 2.167 178.341 176.300 -0.211 0.000 1.067 183 M CA 1.577 56.780 55.300 -0.161 0.000 1.131 183 M CB -0.638 31.717 32.600 -0.409 0.000 1.368 183 M HN 0.358 nan 8.290 nan 0.000 0.416 184 A N -0.393 122.288 122.820 -0.232 0.000 1.908 184 A HA -0.046 4.274 4.320 0.001 0.000 0.218 184 A C 2.337 179.490 177.584 -0.720 0.000 1.181 184 A CA 1.930 53.675 52.037 -0.487 0.000 0.627 184 A CB -1.842 16.939 19.000 -0.365 0.000 0.818 184 A HN 0.613 nan 8.150 nan 0.000 0.445 185 G N -0.900 107.720 108.800 -0.300 0.000 2.418 185 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 185 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 185 G C 1.652 176.510 174.900 -0.071 0.000 1.158 185 G CA 1.143 46.189 45.100 -0.090 0.000 0.771 185 G HN 0.461 nan 8.290 nan 0.000 0.545 186 M N 0.746 120.290 119.600 -0.094 0.000 2.117 186 M HA -0.026 4.454 4.480 0.001 0.000 0.262 186 M C 3.086 179.359 176.300 -0.045 0.000 1.065 186 M CA 1.342 56.618 55.300 -0.040 0.000 1.114 186 M CB -0.300 32.295 32.600 -0.007 0.000 1.361 186 M HN 0.333 nan 8.290 nan 0.000 0.408 187 A N 0.562 123.298 122.820 -0.139 0.000 1.883 187 A HA -0.182 4.138 4.320 0.001 0.000 0.217 187 A C 1.792 179.386 177.584 0.017 0.000 1.186 187 A CA 1.676 53.647 52.037 -0.110 0.000 0.624 187 A CB -0.972 17.907 19.000 -0.202 0.000 0.822 187 A HN 0.391 nan 8.150 nan 0.000 0.444 188 F N 0.296 120.265 119.950 0.031 0.000 2.134 188 F HA -0.120 4.407 4.527 0.001 0.000 0.299 188 F C 2.977 178.788 175.800 0.018 0.000 1.097 188 F CA 0.918 58.934 58.000 0.026 0.000 1.264 188 F CB -1.215 37.799 39.000 0.022 0.000 1.001 188 F HN 0.286 nan 8.300 nan 0.000 0.479 189 S N -0.744 115.074 115.700 0.196 0.000 2.348 189 S HA -0.251 4.219 4.470 0.001 0.000 0.221 189 S C 2.503 177.152 174.600 0.081 0.000 1.033 189 S CA 1.613 59.878 58.200 0.110 0.000 1.010 189 S CB -1.016 62.225 63.200 0.069 0.000 0.891 189 S HN 0.537 nan 8.310 nan 0.000 0.442 190 c N 1.402 120.044 118.600 0.070 0.000 2.413 190 c HA -0.036 4.535 4.570 0.001 0.000 0.276 190 c C 2.562 176.692 174.090 0.067 0.000 1.236 190 c CA 1.249 57.612 56.329 0.057 0.000 1.735 190 c CB -1.789 40.748 42.510 0.045 0.000 2.031 190 c HN 0.707 nan 8.230 nan 0.000 0.474 191 L N 0.520 121.798 121.223 0.091 0.000 2.042 191 L HA -0.175 4.166 4.340 0.001 0.000 0.210 191 L C 2.696 179.607 176.870 0.069 0.000 1.076 191 L CA 2.322 57.216 54.840 0.089 0.000 0.749 191 L CB -0.918 41.219 42.059 0.130 0.000 0.893 191 L HN 0.538 nan 8.230 nan 0.000 0.432 192 E N 0.686 120.930 120.200 0.074 0.000 2.028 192 E HA -0.214 4.137 4.350 0.001 0.000 0.191 192 E C 2.374 178.996 176.600 0.036 0.000 0.988 192 E CA 1.054 57.483 56.400 0.047 0.000 0.799 192 E CB -0.074 29.654 29.700 0.048 0.000 0.755 192 E HN 0.400 nan 8.360 nan 0.000 0.447 193 L N 0.449 121.696 121.223 0.040 0.000 2.127 193 L HA -0.151 4.189 4.340 0.001 0.000 0.211 193 L C 2.354 179.242 176.870 0.030 0.000 1.089 193 L CA 1.130 55.989 54.840 0.031 0.000 0.757 193 L CB -0.078 41.999 42.059 0.031 0.000 0.899 193 L HN 0.092 nan 8.230 nan 0.000 0.434 194 S N -1.284 114.437 115.700 0.036 0.000 2.548 194 S HA 0.012 4.482 4.470 0.001 0.000 0.215 194 S C 0.659 175.275 174.600 0.027 0.000 0.976 194 S CA -0.007 58.213 58.200 0.035 0.000 0.908 194 S CB -0.108 63.118 63.200 0.044 0.000 0.781 194 S HN 0.495 nan 8.310 nan 0.000 0.519 195 N N 0.911 119.626 118.700 0.025 0.000 2.725 195 N HA -0.161 4.580 4.740 0.001 0.000 0.251 195 N C 0.341 175.860 175.510 0.015 0.000 1.031 195 N CA 0.239 53.299 53.050 0.017 0.000 0.720 195 N CB -1.700 36.793 38.487 0.010 0.000 0.930 195 N HN 0.398 nan 8.380 nan 0.000 0.543 196 L N -1.215 120.021 121.223 0.023 0.000 2.270 196 L HA 0.058 4.398 4.340 0.001 0.000 0.210 196 L C 0.183 177.057 176.870 0.008 0.000 1.104 196 L CA 0.795 55.647 54.840 0.019 0.000 0.804 196 L CB -0.051 42.028 42.059 0.033 0.000 0.937 196 L HN 0.292 nan 8.230 nan 0.000 0.450 197 N N -0.463 118.242 118.700 0.009 0.000 2.813 197 N HA 0.129 4.869 4.740 0.001 0.000 0.282 197 N C -1.945 173.558 175.510 -0.012 0.000 1.748 197 N CA -0.960 52.086 53.050 -0.008 0.000 0.860 197 N CB 0.734 39.223 38.487 0.003 0.000 1.204 197 N HN -0.064 nan 8.380 nan 0.000 0.490 198 P HA -0.203 nan 4.420 nan 0.000 0.219 198 P C 0.602 177.892 177.300 -0.017 0.000 1.146 198 P CA 1.167 64.259 63.100 -0.013 0.000 0.808 198 P CB 0.415 32.108 31.700 -0.012 0.000 0.779 199 K N -0.451 119.935 120.400 -0.024 0.000 2.439 199 K HA -0.039 4.282 4.320 0.001 0.000 0.197 199 K C 1.713 178.300 176.600 -0.022 0.000 1.041 199 K CA 0.735 57.007 56.287 -0.024 0.000 0.970 199 K CB 0.033 32.514 32.500 -0.031 0.000 0.773 199 K HN 0.311 nan 8.250 nan 0.000 0.479 200 Q N -0.075 119.711 119.800 -0.023 0.000 2.194 200 Q HA 0.065 4.406 4.340 0.001 0.000 0.214 200 Q C 1.544 177.522 176.000 -0.038 0.000 0.838 200 Q CA -0.090 55.697 55.803 -0.026 0.000 0.972 200 Q CB 0.789 29.516 28.738 -0.018 0.000 1.131 200 Q HN 0.254 nan 8.270 nan 0.000 0.498 201 R N 1.731 122.213 120.500 -0.029 0.000 2.113 201 R HA -0.216 4.124 4.340 0.001 0.000 0.244 201 R C 1.030 177.304 176.300 -0.044 0.000 1.142 201 R CA 2.389 58.471 56.100 -0.029 0.000 0.953 201 R CB 0.108 30.397 30.300 -0.018 0.000 0.860 201 R HN 0.207 nan 8.270 nan 0.000 0.438 202 N N -0.050 118.625 118.700 -0.041 0.000 2.142 202 N HA -0.126 4.615 4.740 0.001 0.000 0.186 202 N C 1.785 177.254 175.510 -0.069 0.000 1.023 202 N CA 1.257 54.279 53.050 -0.046 0.000 0.852 202 N CB -0.284 38.183 38.487 -0.034 0.000 0.998 202 N HN 0.227 nan 8.380 nan 0.000 0.424 203 R N 0.591 121.045 120.500 -0.076 0.000 2.081 203 R HA 0.047 4.388 4.340 0.001 0.000 0.235 203 R C 1.870 178.054 176.300 -0.194 0.000 1.131 203 R CA 1.019 57.056 56.100 -0.106 0.000 0.960 203 R CB -0.245 30.008 30.300 -0.079 0.000 0.856 203 R HN 0.229 nan 8.270 nan 0.000 0.436 204 I N 0.747 121.196 120.570 -0.202 0.000 2.252 204 I HA -0.294 3.876 4.170 0.001 0.000 0.245 204 I C 2.277 178.245 176.117 -0.249 0.000 1.102 204 I CA 0.988 62.096 61.300 -0.321 0.000 1.385 204 I CB -0.423 37.478 38.000 -0.166 0.000 1.064 204 I HN 0.274 nan 8.210 nan 0.000 0.414 205 N N 0.797 119.419 118.700 -0.129 0.000 2.069 205 N HA -0.185 4.556 4.740 0.001 0.000 0.191 205 N C 1.865 177.322 175.510 -0.090 0.000 1.031 205 N CA 1.511 54.512 53.050 -0.080 0.000 0.852 205 N CB -0.096 38.360 38.487 -0.052 0.000 1.018 205 N HN 0.141 nan 8.380 nan 0.000 0.423 206 L N 1.277 122.435 121.223 -0.108 0.000 2.056 206 L HA -0.021 4.319 4.340 0.001 0.000 0.207 206 L C 2.390 179.191 176.870 -0.115 0.000 1.078 206 L CA 1.235 56.017 54.840 -0.095 0.000 0.749 206 L CB -1.237 40.769 42.059 -0.088 0.000 0.901 206 L HN 0.088 nan 8.230 nan 0.000 0.433 207 A N -1.098 121.598 122.820 -0.208 0.000 1.933 207 A HA -0.169 4.152 4.320 0.001 0.000 0.218 207 A C 2.355 179.894 177.584 -0.076 0.000 1.175 207 A CA 1.420 53.314 52.037 -0.238 0.000 0.628 207 A CB -0.673 17.946 19.000 -0.635 0.000 0.814 207 A HN 0.380 nan 8.150 nan 0.000 0.444 208 L N -0.782 120.403 121.223 -0.064 0.000 2.046 208 L HA -0.227 4.114 4.340 0.001 0.000 0.208 208 L C 2.652 179.546 176.870 0.040 0.000 1.077 208 L CA 2.031 56.923 54.840 0.086 0.000 0.747 208 L CB -0.306 41.794 42.059 0.067 0.000 0.896 208 L HN 0.488 nan 8.230 nan 0.000 0.432 209 K N 0.167 120.564 120.400 -0.005 0.000 2.057 209 K HA -0.213 4.107 4.320 0.001 0.000 0.207 209 K C 2.275 178.866 176.600 -0.014 0.000 1.049 209 K CA 1.375 57.653 56.287 -0.014 0.000 0.931 209 K CB -0.202 32.282 32.500 -0.027 0.000 0.714 209 K HN 0.010 nan 8.250 nan 0.000 0.440 210 R N 0.168 120.659 120.500 -0.015 0.000 2.075 210 R HA -0.071 4.269 4.340 0.001 0.000 0.232 210 R C 2.050 178.353 176.300 0.005 0.000 1.126 210 R CA 1.475 57.566 56.100 -0.015 0.000 0.963 210 R CB -0.297 29.990 30.300 -0.022 0.000 0.858 210 R HN 0.149 nan 8.270 nan 0.000 0.435 211 V N 1.131 121.074 119.914 0.047 0.000 2.295 211 V HA -0.286 3.835 4.120 0.001 0.000 0.246 211 V C 2.558 178.646 176.094 -0.011 0.000 1.049 211 V CA 2.074 64.406 62.300 0.053 0.000 1.024 211 V CB -0.553 31.344 31.823 0.123 0.000 0.648 211 V HN 0.463 nan 8.190 nan 0.000 0.447 212 Q N -0.206 119.582 119.800 -0.021 0.000 2.096 212 Q HA -0.282 4.058 4.340 0.001 0.000 0.204 212 Q C 2.224 178.180 176.000 -0.073 0.000 0.982 212 Q CA 2.238 58.000 55.803 -0.067 0.000 0.850 212 Q CB -0.114 28.595 28.738 -0.049 0.000 0.901 212 Q HN 0.727 nan 8.270 nan 0.000 0.422 213 E N -0.013 120.160 120.200 -0.046 0.000 2.058 213 E HA -0.188 4.162 4.350 0.001 0.000 0.194 213 E C 2.091 178.661 176.600 -0.050 0.000 0.997 213 E CA 1.255 57.630 56.400 -0.042 0.000 0.801 213 E CB 0.108 29.785 29.700 -0.037 0.000 0.746 213 E HN 0.277 nan 8.360 nan 0.000 0.450 214 K N 0.397 120.762 120.400 -0.059 0.000 2.097 214 K HA -0.100 4.220 4.320 0.001 0.000 0.205 214 K C 2.216 178.779 176.600 -0.060 0.000 1.050 214 K CA 0.850 57.090 56.287 -0.078 0.000 0.938 214 K CB -0.183 32.262 32.500 -0.092 0.000 0.718 214 K HN 0.220 nan 8.250 nan 0.000 0.442 215 I N 1.522 122.042 120.570 -0.083 0.000 2.179 215 I HA -0.284 3.887 4.170 0.001 0.000 0.242 215 I C 2.409 178.480 176.117 -0.077 0.000 1.088 215 I CA 1.144 62.363 61.300 -0.134 0.000 1.357 215 I CB -0.365 37.455 38.000 -0.301 0.000 1.051 215 I HN 0.071 nan 8.210 nan 0.000 0.409 216 L N 0.821 121.995 121.223 -0.081 0.000 2.042 216 L HA -0.255 4.085 4.340 0.001 0.000 0.210 216 L C 2.692 179.633 176.870 0.118 0.000 1.076 216 L CA 1.492 56.381 54.840 0.082 0.000 0.749 216 L CB -0.852 41.231 42.059 0.041 0.000 0.893 216 L HN 0.338 nan 8.230 nan 0.000 0.432 217 K N 1.206 121.633 120.400 0.045 0.000 2.152 217 K HA -0.178 4.143 4.320 0.001 0.000 0.206 217 K C 1.696 178.332 176.600 0.060 0.000 1.048 217 K CA 1.573 57.880 56.287 0.032 0.000 0.933 217 K CB -0.005 32.484 32.500 -0.018 0.000 0.721 217 K HN 0.282 nan 8.250 nan 0.000 0.447 218 A N 1.323 124.198 122.820 0.091 0.000 2.259 218 A HA -0.021 4.300 4.320 0.001 0.000 0.208 218 A C 0.782 178.478 177.584 0.187 0.000 1.201 218 A CA -0.101 52.010 52.037 0.123 0.000 0.824 218 A CB -0.282 18.791 19.000 0.122 0.000 0.838 218 A HN 0.530 nan 8.150 nan 0.000 0.485 219 Q N 1.536 121.468 119.800 0.221 0.000 2.311 219 Q HA 0.258 4.599 4.340 0.001 0.000 0.272 219 Q C 0.471 176.500 176.000 0.047 0.000 1.012 219 Q CA 0.282 56.172 55.803 0.145 0.000 0.891 219 Q CB 0.516 29.317 28.738 0.105 0.000 1.201 219 Q HN 0.525 nan 8.270 nan 0.000 0.391 220 T N 1.019 115.580 114.554 0.012 0.000 2.874 220 T HA 0.312 4.663 4.350 0.001 0.000 0.281 220 T C -1.873 172.784 174.700 -0.071 0.000 0.994 220 T CA -1.649 60.453 62.100 0.003 0.000 1.015 220 T CB 0.838 69.743 68.868 0.061 0.000 1.028 220 T HN 0.469 nan 8.240 nan 0.000 0.523 221 P HA -0.042 nan 4.420 nan 0.000 0.219 221 P C 0.940 178.152 177.300 -0.147 0.000 1.146 221 P CA 0.927 63.978 63.100 -0.081 0.000 0.808 221 P CB -0.022 31.650 31.700 -0.048 0.000 0.779 222 E N -1.497 118.575 120.200 -0.215 0.000 2.274 222 E HA 0.096 4.446 4.350 0.001 0.000 0.194 222 E C 1.656 177.934 176.600 -0.537 0.000 0.996 222 E CA 1.137 57.299 56.400 -0.396 0.000 0.840 222 E CB -0.755 28.599 29.700 -0.577 0.000 0.772 222 E HN 0.252 nan 8.360 nan 0.000 0.491 223 G N -1.014 107.520 108.800 -0.445 0.000 2.201 223 G HA2 -0.249 3.711 3.960 0.001 0.000 0.212 223 G HA3 -0.249 3.711 3.960 0.001 0.000 0.212 223 G C -0.322 174.279 174.900 -0.499 0.000 0.994 223 G CA -0.275 44.565 45.100 -0.433 0.000 0.644 223 G HN 0.142 nan 8.290 nan 0.000 0.508 224 Y N 0.268 120.423 120.300 -0.242 0.000 2.480 224 Y HA 0.552 5.102 4.550 0.001 0.000 0.338 224 Y C 0.758 176.493 175.900 -0.276 0.000 1.220 224 Y CA -0.856 57.100 58.100 -0.240 0.000 1.430 224 Y CB 0.150 38.552 38.460 -0.096 0.000 1.311 224 Y HN 0.041 nan 8.280 nan 0.000 0.575 225 F N 2.078 122.138 119.950 0.183 0.000 2.405 225 F HA 0.424 4.951 4.527 0.001 0.000 0.358 225 F C 1.164 177.026 175.800 0.104 0.000 1.151 225 F CA 0.070 58.136 58.000 0.109 0.000 1.161 225 F CB 0.255 39.301 39.000 0.077 0.000 1.245 225 F HN 0.788 nan 8.300 nan 0.000 0.545 226 G N 3.139 112.091 108.800 0.254 0.000 5.426 226 G HA2 -0.344 3.616 3.960 0.001 0.000 0.297 226 G HA3 -0.344 3.616 3.960 0.001 0.000 0.297 226 G C 0.009 174.987 174.900 0.131 0.000 1.422 226 G CA 0.452 45.650 45.100 0.164 0.000 0.938 226 G HN 0.900 nan 8.290 nan 0.000 0.754 227 N N -1.524 117.225 118.700 0.082 0.000 2.972 227 N HA 0.570 5.311 4.740 0.001 0.000 0.262 227 N C 0.645 175.985 175.510 -0.284 0.000 1.478 227 N CA 0.484 53.492 53.050 -0.070 0.000 0.841 227 N CB 1.206 39.660 38.487 -0.055 0.000 1.512 227 N HN 1.034 nan 8.380 nan 0.000 0.548 228 V N -0.033 119.373 119.914 -0.848 0.000 2.392 228 V HA -0.210 3.910 4.120 0.001 0.000 0.249 228 V C 1.071 176.916 176.094 -0.414 0.000 1.059 228 V CA 1.748 63.476 62.300 -0.954 0.000 1.051 228 V CB -0.926 30.126 31.823 -1.284 0.000 0.658 228 V HN 0.624 nan 8.190 nan 0.000 0.455 229 Y N 0.796 120.985 120.300 -0.186 0.000 2.516 229 Y HA 0.007 4.557 4.550 0.001 0.000 0.291 229 Y C 2.618 178.541 175.900 0.038 0.000 1.131 229 Y CA 1.094 59.146 58.100 -0.081 0.000 1.281 229 Y CB -0.415 37.936 38.460 -0.181 0.000 1.013 229 Y HN 0.432 nan 8.280 nan 0.000 0.554 230 S N -2.294 113.493 115.700 0.145 0.000 2.524 230 S HA -0.040 4.430 4.470 0.001 0.000 0.216 230 S C 1.787 176.499 174.600 0.187 0.000 0.987 230 S CA 0.666 58.955 58.200 0.148 0.000 0.909 230 S CB -0.449 62.819 63.200 0.113 0.000 0.781 230 S HN 0.311 nan 8.310 nan 0.000 0.521 231 T N 3.700 118.374 114.554 0.200 0.000 2.746 231 T HA -0.014 4.336 4.350 0.001 0.000 0.267 231 T C -0.753 174.075 174.700 0.212 0.000 1.039 231 T CA 1.389 63.647 62.100 0.263 0.000 1.142 231 T CB -1.372 67.630 68.868 0.224 0.000 0.866 231 T HN 0.370 nan 8.240 nan 0.000 0.444 232 P HA -0.002 nan 4.420 nan 0.000 0.215 232 P C 1.624 178.949 177.300 0.042 0.000 1.157 232 P CA 0.833 63.981 63.100 0.080 0.000 0.868 232 P CB -0.180 31.558 31.700 0.064 0.000 0.788 233 L N -0.981 120.282 121.223 0.066 0.000 2.012 233 L HA -0.222 4.118 4.340 0.001 0.000 0.210 233 L C 2.490 179.366 176.870 0.010 0.000 1.073 233 L CA 1.773 56.627 54.840 0.023 0.000 0.748 233 L CB -1.221 40.894 42.059 0.094 0.000 0.891 233 L HN -0.030 nan 8.230 nan 0.000 0.431 234 A N 0.097 122.948 122.820 0.052 0.000 1.883 234 A HA -0.216 4.104 4.320 0.001 0.000 0.217 234 A C 2.215 179.779 177.584 -0.033 0.000 1.186 234 A CA 1.648 53.673 52.037 -0.021 0.000 0.624 234 A CB -0.782 18.213 19.000 -0.008 0.000 0.822 234 A HN 0.393 nan 8.150 nan 0.000 0.444 235 L N -0.930 120.333 121.223 0.067 0.000 2.141 235 L HA -0.233 4.108 4.340 0.001 0.000 0.209 235 L C 2.888 179.749 176.870 -0.014 0.000 1.094 235 L CA 1.274 56.148 54.840 0.056 0.000 0.763 235 L CB -0.577 41.539 42.059 0.095 0.000 0.908 235 L HN 0.509 nan 8.230 nan 0.000 0.437 236 Q N -0.237 119.532 119.800 -0.052 0.000 2.061 236 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 236 Q C 2.342 178.295 176.000 -0.078 0.000 0.984 236 Q CA 1.557 57.299 55.803 -0.102 0.000 0.846 236 Q CB -0.166 28.453 28.738 -0.199 0.000 0.902 236 Q HN 0.504 nan 8.270 nan 0.000 0.421 237 L N 0.524 121.706 121.223 -0.068 0.000 2.005 237 L HA -0.156 4.184 4.340 0.001 0.000 0.207 237 L C 2.136 178.977 176.870 -0.050 0.000 1.072 237 L CA 1.350 56.157 54.840 -0.056 0.000 0.744 237 L CB -0.319 41.703 42.059 -0.061 0.000 0.895 237 L HN 0.304 nan 8.230 nan 0.000 0.433 238 L N -0.132 121.052 121.223 -0.065 0.000 2.275 238 L HA -0.208 4.132 4.340 0.001 0.000 0.215 238 L C 2.760 179.615 176.870 -0.026 0.000 1.119 238 L CA 1.044 55.848 54.840 -0.060 0.000 0.790 238 L CB -0.394 41.607 42.059 -0.096 0.000 0.919 238 L HN 0.449 nan 8.230 nan 0.000 0.443 239 M N -1.280 118.308 119.600 -0.019 0.000 2.446 239 M HA 0.016 4.496 4.480 0.001 0.000 0.263 239 M C 1.718 178.010 176.300 -0.012 0.000 1.066 239 M CA 1.860 57.153 55.300 -0.012 0.000 1.087 239 M CB -0.706 31.884 32.600 -0.016 0.000 1.406 239 M HN 0.059 nan 8.290 nan 0.000 0.459 240 G N 0.393 109.185 108.800 -0.014 0.000 2.985 240 G HA2 0.036 3.996 3.960 0.001 0.000 0.209 240 G HA3 0.036 3.996 3.960 0.001 0.000 0.209 240 G C 0.372 175.270 174.900 -0.003 0.000 1.165 240 G CA -0.013 45.083 45.100 -0.007 0.000 0.776 240 G HN 0.507 nan 8.290 nan 0.000 0.541 241 S N -0.199 115.497 115.700 -0.006 0.000 2.546 241 S HA 0.161 4.632 4.470 0.001 0.000 0.290 241 S C 1.561 176.160 174.600 -0.002 0.000 1.290 241 S CA -0.463 57.734 58.200 -0.005 0.000 1.069 241 S CB 0.650 63.845 63.200 -0.009 0.000 0.846 241 S HN 0.166 nan 8.310 nan 0.000 0.495 242 L N 4.646 125.868 121.223 -0.001 0.000 2.102 242 L HA 0.245 4.586 4.340 0.001 0.000 0.202 242 L C 1.340 178.209 176.870 -0.001 0.000 1.076 242 L CA 1.055 55.895 54.840 -0.000 0.000 0.761 242 L CB -0.050 42.010 42.059 0.001 0.000 0.921 242 L HN 0.552 nan 8.230 nan 0.000 0.444 243 R N 0.632 121.131 120.500 -0.001 0.000 2.547 243 R HA 0.276 4.616 4.340 0.001 0.000 0.280 243 R C -2.376 173.924 176.300 -0.001 0.000 1.630 243 R CA -1.474 54.625 56.100 -0.001 0.000 1.470 243 R CB 0.684 30.983 30.300 -0.002 0.000 1.178 243 R HN 0.014 nan 8.270 nan 0.000 0.591 244 P HA 0.002 nan 4.420 nan 0.000 0.271 244 P C 0.168 177.470 177.300 0.003 0.000 1.220 244 P CA -0.050 63.051 63.100 0.002 0.000 0.768 244 P CB 1.138 32.841 31.700 0.006 0.000 0.848 245 S N 1.752 117.453 115.700 0.003 0.000 2.580 245 S HA 0.005 4.475 4.470 0.001 0.000 0.261 245 S C 1.435 176.040 174.600 0.009 0.000 1.366 245 S CA -0.497 57.705 58.200 0.004 0.000 0.996 245 S CB 0.009 63.210 63.200 0.002 0.000 0.902 245 S HN 0.220 nan 8.310 nan 0.000 0.566 246 V N 1.578 121.496 119.914 0.008 0.000 2.515 246 V HA -0.108 4.013 4.120 0.001 0.000 0.250 246 V C 2.702 178.806 176.094 0.016 0.000 1.058 246 V CA 1.955 64.260 62.300 0.010 0.000 1.064 246 V CB -1.114 30.712 31.823 0.006 0.000 0.675 246 V HN 0.862 nan 8.190 nan 0.000 0.461 247 E N -0.094 120.116 120.200 0.016 0.000 2.077 247 E HA -0.233 4.117 4.350 0.001 0.000 0.193 247 E C 2.173 178.798 176.600 0.042 0.000 0.989 247 E CA 1.285 57.699 56.400 0.025 0.000 0.800 247 E CB -0.234 29.478 29.700 0.020 0.000 0.746 247 E HN 0.435 nan 8.360 nan 0.000 0.452 248 L N 1.143 122.387 121.223 0.035 0.000 2.017 248 L HA -0.052 4.288 4.340 0.001 0.000 0.208 248 L C 2.267 179.176 176.870 0.063 0.000 1.073 248 L CA 2.313 57.181 54.840 0.047 0.000 0.745 248 L CB -1.040 41.031 42.059 0.019 0.000 0.894 248 L HN 0.080 nan 8.230 nan 0.000 0.432 249 G N -1.817 107.008 108.800 0.041 0.000 2.440 249 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 249 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 249 G C 1.430 176.354 174.900 0.041 0.000 1.154 249 G CA 1.307 46.429 45.100 0.037 0.000 0.767 249 G HN 0.453 nan 8.290 nan 0.000 0.552 250 T N 1.643 116.219 114.554 0.036 0.000 2.737 250 T HA 0.054 4.405 4.350 0.001 0.000 0.265 250 T C 2.837 177.559 174.700 0.036 0.000 1.038 250 T CA 1.482 63.597 62.100 0.025 0.000 1.144 250 T CB -0.421 68.457 68.868 0.016 0.000 0.866 250 T HN 0.381 nan 8.240 nan 0.000 0.434 251 A N 0.703 123.570 122.820 0.080 0.000 1.883 251 A HA -0.168 4.152 4.320 0.001 0.000 0.217 251 A C 2.714 180.386 177.584 0.148 0.000 1.186 251 A CA 1.714 53.833 52.037 0.137 0.000 0.624 251 A CB -1.385 17.793 19.000 0.297 0.000 0.822 251 A HN 0.626 nan 8.150 nan 0.000 0.444 252 c N -0.902 117.812 118.600 0.190 0.000 2.446 252 c HA 0.001 4.571 4.570 0.001 0.000 0.277 252 c C 2.654 176.781 174.090 0.061 0.000 1.275 252 c CA 0.868 57.306 56.329 0.181 0.000 1.727 252 c CB -1.464 41.133 42.510 0.145 0.000 2.010 252 c HN 0.628 nan 8.230 nan 0.000 0.486 253 L N 0.570 121.810 121.223 0.029 0.000 2.042 253 L HA -0.207 4.133 4.340 0.001 0.000 0.210 253 L C 2.661 179.507 176.870 -0.040 0.000 1.076 253 L CA 1.648 56.486 54.840 -0.004 0.000 0.749 253 L CB -0.665 41.391 42.059 -0.005 0.000 0.893 253 L HN 0.408 nan 8.230 nan 0.000 0.432 254 K N -0.095 120.265 120.400 -0.066 0.000 2.057 254 K HA -0.150 4.170 4.320 0.001 0.000 0.207 254 K C 2.231 178.718 176.600 -0.187 0.000 1.049 254 K CA 1.396 57.608 56.287 -0.125 0.000 0.931 254 K CB -0.233 32.181 32.500 -0.144 0.000 0.714 254 K HN 0.290 nan 8.250 nan 0.000 0.440 255 A N 1.963 124.643 122.820 -0.233 0.000 1.873 255 A HA -0.179 4.141 4.320 0.001 0.000 0.215 255 A C 1.913 179.440 177.584 -0.094 0.000 1.186 255 A CA 1.455 53.319 52.037 -0.289 0.000 0.616 255 A CB -0.277 18.441 19.000 -0.470 0.000 0.823 255 A HN 0.181 nan 8.150 nan 0.000 0.442 256 K N -0.225 120.153 120.400 -0.037 0.000 2.057 256 K HA -0.093 4.228 4.320 0.001 0.000 0.207 256 K C 2.310 178.897 176.600 -0.022 0.000 1.049 256 K CA 1.164 57.445 56.287 -0.009 0.000 0.931 256 K CB -0.345 32.155 32.500 0.000 0.000 0.714 256 K HN 0.442 nan 8.250 nan 0.000 0.440 257 A N 1.621 124.415 122.820 -0.044 0.000 1.902 257 A HA -0.117 4.204 4.320 0.001 0.000 0.217 257 A C 2.401 179.958 177.584 -0.045 0.000 1.181 257 A CA 1.853 53.863 52.037 -0.045 0.000 0.623 257 A CB -0.675 18.289 19.000 -0.059 0.000 0.818 257 A HN 0.336 nan 8.150 nan 0.000 0.443 258 A N -0.656 122.109 122.820 -0.091 0.000 1.902 258 A HA -0.022 4.299 4.320 0.001 0.000 0.217 258 A C 2.126 179.779 177.584 0.115 0.000 1.181 258 A CA 1.730 53.702 52.037 -0.109 0.000 0.623 258 A CB -0.604 18.149 19.000 -0.412 0.000 0.818 258 A HN 0.611 nan 8.150 nan 0.000 0.443 259 L N -0.253 121.041 121.223 0.119 0.000 2.046 259 L HA -0.177 4.163 4.340 0.001 0.000 0.208 259 L C 2.495 179.417 176.870 0.086 0.000 1.077 259 L CA 2.050 56.979 54.840 0.149 0.000 0.747 259 L CB -0.676 41.433 42.059 0.083 0.000 0.896 259 L HN 0.420 nan 8.230 nan 0.000 0.432 260 Q N -0.589 119.231 119.800 0.034 0.000 2.084 260 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 260 Q C 2.256 178.267 176.000 0.019 0.000 0.978 260 Q CA 1.671 57.478 55.803 0.006 0.000 0.844 260 Q CB -0.464 28.267 28.738 -0.012 0.000 0.898 260 Q HN 0.662 nan 8.270 nan 0.000 0.426 261 A N 1.473 124.320 122.820 0.044 0.000 1.902 261 A HA -0.208 4.113 4.320 0.001 0.000 0.217 261 A C 2.376 180.049 177.584 0.148 0.000 1.181 261 A CA 2.130 54.208 52.037 0.068 0.000 0.623 261 A CB -0.701 18.351 19.000 0.087 0.000 0.818 261 A HN 0.481 nan 8.150 nan 0.000 0.443 262 S N -0.627 115.206 115.700 0.221 0.000 2.399 262 S HA -0.103 4.368 4.470 0.001 0.000 0.231 262 S C 1.712 176.449 174.600 0.227 0.000 1.022 262 S CA 1.476 59.853 58.200 0.296 0.000 0.983 262 S CB -0.437 62.924 63.200 0.269 0.000 0.803 262 S HN 0.207 nan 8.310 nan 0.000 0.480 263 L N 1.562 122.864 121.223 0.132 0.000 2.201 263 L HA 0.107 4.447 4.340 0.001 0.000 0.212 263 L C 2.531 179.399 176.870 -0.004 0.000 1.105 263 L CA 1.344 56.230 54.840 0.078 0.000 0.775 263 L CB -1.394 40.663 42.059 -0.004 0.000 0.913 263 L HN 0.361 nan 8.230 nan 0.000 0.440 264 Q N -0.944 118.782 119.800 -0.124 0.000 2.500 264 Q HA -0.114 4.227 4.340 0.001 0.000 0.213 264 Q C 0.758 176.515 176.000 -0.405 0.000 0.974 264 Q CA 0.925 56.548 55.803 -0.300 0.000 0.918 264 Q CB -0.384 28.089 28.738 -0.441 0.000 0.980 264 Q HN 0.643 nan 8.270 nan 0.000 0.505 265 H N -0.948 118.157 119.070 0.059 0.000 2.567 265 H HA 0.248 4.805 4.556 0.001 0.000 0.267 265 H C -0.329 175.037 175.328 0.063 0.000 1.148 265 H CA -0.390 55.689 56.048 0.052 0.000 1.031 265 H CB 0.459 30.250 29.762 0.047 0.000 1.691 265 H HN 0.004 nan 8.280 nan 0.000 0.588 266 K N -0.671 119.817 120.400 0.146 0.000 3.035 266 K HA -0.235 4.086 4.320 0.001 0.000 0.262 266 K C 0.680 177.383 176.600 0.171 0.000 1.024 266 K CA 0.836 57.209 56.287 0.143 0.000 0.748 266 K CB -1.712 30.850 32.500 0.104 0.000 1.247 266 K HN 0.349 nan 8.250 nan 0.000 0.482 267 T N -0.065 114.615 114.554 0.211 0.000 2.759 267 T HA -0.122 4.228 4.350 0.001 0.000 0.269 267 T C 0.522 175.296 174.700 0.124 0.000 1.042 267 T CA 1.167 63.352 62.100 0.141 0.000 1.140 267 T CB -0.124 68.796 68.868 0.086 0.000 0.864 267 T HN 0.225 nan 8.240 nan 0.000 0.455 268 F N 2.182 122.219 119.950 0.145 0.000 2.335 268 F HA 0.360 4.888 4.527 0.001 0.000 0.365 268 F C 1.292 177.164 175.800 0.120 0.000 1.122 268 F CA -0.757 57.353 58.000 0.184 0.000 1.151 268 F CB 0.991 40.072 39.000 0.135 0.000 1.282 268 F HN -0.107 nan 8.300 nan 0.000 0.513 269 Q N 0.692 120.607 119.800 0.192 0.000 2.423 269 Q HA 0.038 4.378 4.340 0.001 0.000 0.231 269 Q C 0.575 176.635 176.000 0.100 0.000 0.894 269 Q CA 0.173 56.059 55.803 0.137 0.000 0.938 269 Q CB 0.046 28.842 28.738 0.097 0.000 1.079 269 Q HN 0.537 nan 8.270 nan 0.000 0.552 270 N N 2.652 121.378 118.700 0.042 0.000 2.468 270 N HA -0.003 4.738 4.740 0.001 0.000 0.265 270 N C -2.006 173.480 175.510 -0.040 0.000 1.199 270 N CA -1.192 51.840 53.050 -0.031 0.000 0.928 270 N CB 1.752 40.171 38.487 -0.113 0.000 1.059 270 N HN -0.178 nan 8.380 nan 0.000 0.467 271 P HA -0.138 nan 4.420 nan 0.000 0.215 271 P C 1.617 178.826 177.300 -0.151 0.000 1.153 271 P CA 0.787 63.730 63.100 -0.261 0.000 0.853 271 P CB 0.240 31.479 31.700 -0.768 0.000 0.788 272 L N -1.841 119.294 121.223 -0.147 0.000 2.046 272 L HA -0.158 4.182 4.340 0.001 0.000 0.208 272 L C 2.246 179.140 176.870 0.039 0.000 1.077 272 L CA 1.820 56.630 54.840 -0.051 0.000 0.747 272 L CB -0.698 41.328 42.059 -0.054 0.000 0.896 272 L HN -0.127 nan 8.230 nan 0.000 0.432 273 M N -0.561 119.077 119.600 0.064 0.000 2.108 273 M HA -0.232 4.249 4.480 0.001 0.000 0.261 273 M C 2.383 178.861 176.300 0.296 0.000 1.066 273 M CA 1.921 57.358 55.300 0.229 0.000 1.107 273 M CB -1.048 31.699 32.600 0.245 0.000 1.356 273 M HN 0.315 nan 8.290 nan 0.000 0.406 274 I N 0.309 121.006 120.570 0.213 0.000 2.226 274 I HA -0.299 3.872 4.170 0.001 0.000 0.245 274 I C 2.606 178.749 176.117 0.043 0.000 1.100 274 I CA 1.637 63.007 61.300 0.115 0.000 1.374 274 I CB -0.544 37.509 38.000 0.088 0.000 1.057 274 I HN 0.365 nan 8.210 nan 0.000 0.413 275 S N 0.331 116.059 115.700 0.046 0.000 2.419 275 S HA -0.217 4.254 4.470 0.001 0.000 0.233 275 S C 1.869 176.514 174.600 0.074 0.000 1.016 275 S CA 0.973 59.200 58.200 0.046 0.000 0.974 275 S CB -0.382 62.847 63.200 0.050 0.000 0.786 275 S HN 0.534 nan 8.310 nan 0.000 0.492 276 Q N -0.204 119.650 119.800 0.090 0.000 2.269 276 Q HA 0.203 4.543 4.340 0.001 0.000 0.201 276 Q C 2.044 178.029 176.000 -0.025 0.000 0.946 276 Q CA 0.795 56.631 55.803 0.056 0.000 0.877 276 Q CB -0.188 28.620 28.738 0.117 0.000 0.963 276 Q HN 0.535 nan 8.270 nan 0.000 0.472 277 L N 0.184 121.386 121.223 -0.034 0.000 2.127 277 L HA -0.021 4.320 4.340 0.001 0.000 0.203 277 L C 1.825 178.616 176.870 -0.132 0.000 1.080 277 L CA 1.265 56.019 54.840 -0.143 0.000 0.768 277 L CB -0.223 41.622 42.059 -0.356 0.000 0.924 277 L HN 0.140 nan 8.230 nan 0.000 0.444 278 L N 0.026 121.193 121.223 -0.093 0.000 2.042 278 L HA -0.152 4.189 4.340 0.001 0.000 0.210 278 L C -0.243 176.581 176.870 -0.075 0.000 1.076 278 L CA 1.314 56.105 54.840 -0.081 0.000 0.749 278 L CB -1.823 40.201 42.059 -0.057 0.000 0.893 278 L HN 0.276 nan 8.230 nan 0.000 0.432 279 P HA -0.131 nan 4.420 nan 0.000 0.215 279 P C 1.953 179.202 177.300 -0.086 0.000 1.157 279 P CA 1.136 64.189 63.100 -0.078 0.000 0.868 279 P CB 0.016 31.656 31.700 -0.100 0.000 0.788 280 V N -0.227 119.628 119.914 -0.099 0.000 2.332 280 V HA -0.233 3.887 4.120 0.001 0.000 0.248 280 V C 2.389 178.441 176.094 -0.069 0.000 1.055 280 V CA 1.682 63.933 62.300 -0.082 0.000 1.038 280 V CB -1.369 30.407 31.823 -0.079 0.000 0.651 280 V HN 0.089 nan 8.190 nan 0.000 0.450 281 L N 0.147 121.322 121.223 -0.079 0.000 2.362 281 L HA -0.049 4.292 4.340 0.001 0.000 0.219 281 L C 1.765 178.602 176.870 -0.056 0.000 1.134 281 L CA 1.151 55.949 54.840 -0.071 0.000 0.807 281 L CB -0.491 41.517 42.059 -0.085 0.000 0.927 281 L HN 0.385 nan 8.230 nan 0.000 0.447 282 N N 0.053 118.720 118.700 -0.055 0.000 2.234 282 N HA 0.036 4.777 4.740 0.001 0.000 0.227 282 N C -0.194 175.291 175.510 -0.041 0.000 1.151 282 N CA -0.130 52.893 53.050 -0.046 0.000 0.865 282 N CB 0.227 38.686 38.487 -0.047 0.000 1.066 282 N HN 0.023 nan 8.380 nan 0.000 0.515 283 Q N -0.774 119.001 119.800 -0.042 0.000 2.468 283 Q HA -0.224 4.116 4.340 0.001 0.000 0.289 283 Q C -1.018 174.959 176.000 -0.039 0.000 1.299 283 Q CA 1.091 56.873 55.803 -0.036 0.000 0.838 283 Q CB -1.600 27.122 28.738 -0.027 0.000 1.195 283 Q HN 0.424 nan 8.270 nan 0.000 0.456 284 K N -0.249 120.121 120.400 -0.050 0.000 2.395 284 K HA 0.803 5.124 4.320 0.001 0.000 0.247 284 K C -0.307 176.246 176.600 -0.079 0.000 0.973 284 K CA -0.353 55.904 56.287 -0.050 0.000 0.828 284 K CB 2.160 34.635 32.500 -0.041 0.000 1.272 284 K HN 0.179 nan 8.250 nan 0.000 0.439 285 S N -0.371 115.285 115.700 -0.073 0.000 2.697 285 S HA 0.294 4.765 4.470 0.001 0.000 0.289 285 S C 0.469 175.053 174.600 -0.027 0.000 1.149 285 S CA -0.685 57.435 58.200 -0.134 0.000 0.850 285 S CB 0.278 63.412 63.200 -0.110 0.000 1.151 285 S HN 0.559 nan 8.310 nan 0.000 0.491 286 Y N 0.582 120.865 120.300 -0.029 0.000 2.365 286 Y HA -0.055 4.496 4.550 0.001 0.000 0.287 286 Y C 2.412 178.287 175.900 -0.042 0.000 1.162 286 Y CA 0.481 58.558 58.100 -0.037 0.000 1.260 286 Y CB -1.291 37.146 38.460 -0.037 0.000 0.976 286 Y HN 0.469 nan 8.280 nan 0.000 0.548 287 V N -0.055 119.918 119.914 0.098 0.000 2.626 287 V HA -0.213 3.908 4.120 0.001 0.000 0.252 287 V C 1.727 177.835 176.094 0.024 0.000 1.067 287 V CA 1.646 63.975 62.300 0.048 0.000 1.081 287 V CB -0.422 31.417 31.823 0.027 0.000 0.686 287 V HN 0.347 nan 8.190 nan 0.000 0.468 288 D N 0.258 120.670 120.400 0.019 0.000 2.351 288 D HA -0.069 4.571 4.640 0.001 0.000 0.216 288 D C 1.866 178.155 176.300 -0.018 0.000 0.968 288 D CA 0.836 54.835 54.000 -0.001 0.000 0.899 288 D CB 0.096 40.892 40.800 -0.006 0.000 0.907 288 D HN 0.394 nan 8.370 nan 0.000 0.514 289 L N 0.392 121.606 121.223 -0.015 0.000 2.552 289 L HA -0.001 4.339 4.340 0.001 0.000 0.227 289 L C 2.291 179.091 176.870 -0.116 0.000 1.146 289 L CA -0.031 54.764 54.840 -0.075 0.000 0.858 289 L CB -0.100 41.912 42.059 -0.079 0.000 0.969 289 L HN -0.006 nan 8.230 nan 0.000 0.451 290 I N -0.316 120.219 120.570 -0.058 0.000 2.118 290 I HA -0.246 3.925 4.170 0.001 0.000 0.241 290 I C 0.726 176.817 176.117 -0.043 0.000 1.070 290 I CA 1.375 62.653 61.300 -0.035 0.000 1.327 290 I CB -0.082 37.922 38.000 0.006 0.000 1.034 290 I HN 0.307 nan 8.210 nan 0.000 0.405 291 S N 0.970 116.647 115.700 -0.038 0.000 2.389 291 S HA 0.412 4.882 4.470 0.001 0.000 0.201 291 S C -2.290 172.280 174.600 -0.049 0.000 1.422 291 S CA -1.235 56.942 58.200 -0.038 0.000 1.216 291 S CB 0.629 63.831 63.200 0.004 0.000 1.130 291 S HN 0.032 nan 8.310 nan 0.000 0.465 292 P HA 0.359 nan 4.420 nan 0.000 0.274 292 P C -1.070 176.200 177.300 -0.050 0.000 1.237 292 P CA -0.084 62.975 63.100 -0.069 0.000 0.793 292 P CB 0.663 32.305 31.700 -0.098 0.000 0.977 293 D N 1.065 121.442 120.400 -0.039 0.000 2.460 293 D HA 0.163 4.803 4.640 0.001 0.000 0.232 293 D C 0.114 176.396 176.300 -0.030 0.000 1.079 293 D CA -0.486 53.496 54.000 -0.029 0.000 0.864 293 D CB -0.200 40.587 40.800 -0.022 0.000 1.048 293 D HN 0.161 nan 8.370 nan 0.000 0.523 294 c N 2.948 121.532 118.600 -0.027 0.000 2.626 294 c HA 0.104 4.675 4.570 0.001 0.000 0.266 294 c C 1.997 176.080 174.090 -0.013 0.000 1.317 294 c CA -0.172 56.144 56.329 -0.022 0.000 1.716 294 c CB -0.573 41.927 42.510 -0.016 0.000 1.819 294 c HN 0.624 nan 8.230 nan 0.000 0.578 295 Q N 1.021 120.814 119.800 -0.012 0.000 2.376 295 Q HA 0.181 4.521 4.340 0.001 0.000 0.206 295 Q C 1.110 177.104 176.000 -0.010 0.000 0.921 295 Q CA 0.242 56.041 55.803 -0.007 0.000 0.911 295 Q CB 0.076 28.811 28.738 -0.004 0.000 1.032 295 Q HN 0.633 nan 8.270 nan 0.000 0.510 296 A N 3.962 126.773 122.820 -0.015 0.000 2.454 296 A HA 0.287 4.607 4.320 0.001 0.000 0.260 296 A C -1.948 175.626 177.584 -0.018 0.000 1.106 296 A CA -1.041 50.987 52.037 -0.016 0.000 0.780 296 A CB -0.251 18.737 19.000 -0.020 0.000 1.044 296 A HN 0.007 nan 8.150 nan 0.000 0.498 297 P HA 0.323 nan 4.420 nan 0.000 0.271 297 P C -0.518 176.770 177.300 -0.020 0.000 1.218 297 P CA 0.036 63.127 63.100 -0.015 0.000 0.780 297 P CB 0.716 32.410 31.700 -0.011 0.000 0.901 298 R N 0.664 121.151 120.500 -0.021 0.000 2.854 298 R HA 0.697 5.037 4.340 0.001 0.000 0.271 298 R C -0.453 175.835 176.300 -0.020 0.000 0.996 298 R CA -0.999 55.085 56.100 -0.025 0.000 0.961 298 R CB 2.087 32.366 30.300 -0.035 0.000 1.182 298 R HN 0.530 nan 8.270 nan 0.000 0.479 299 A N 2.062 124.870 122.820 -0.020 0.000 2.363 299 A HA 0.271 4.592 4.320 0.001 0.000 0.270 299 A C -0.478 177.098 177.584 -0.014 0.000 1.121 299 A CA -0.432 51.596 52.037 -0.015 0.000 0.800 299 A CB 0.325 19.316 19.000 -0.015 0.000 1.052 299 A HN 0.564 nan 8.150 nan 0.000 0.493 300 L N 2.714 123.932 121.223 -0.009 0.000 2.499 300 L HA 0.222 4.563 4.340 0.001 0.000 0.273 300 L C -0.203 176.664 176.870 -0.005 0.000 1.195 300 L CA 0.492 55.328 54.840 -0.006 0.000 0.882 300 L CB 0.082 42.140 42.059 -0.002 0.000 1.133 300 L HN 0.619 nan 8.230 nan 0.000 0.483 301 L N 5.551 126.771 121.223 -0.004 0.000 2.264 301 L HA 0.411 4.752 4.340 0.001 0.000 0.289 301 L C 0.003 176.876 176.870 0.005 0.000 1.044 301 L CA -0.214 54.626 54.840 -0.000 0.000 0.807 301 L CB 1.149 43.207 42.059 -0.001 0.000 1.192 301 L HN 0.704 nan 8.230 nan 0.000 0.425 302 E N 5.518 125.722 120.200 0.006 0.000 2.244 302 E HA 0.489 4.839 4.350 0.001 0.000 0.266 302 E C -2.316 174.291 176.600 0.011 0.000 0.914 302 E CA -1.992 54.413 56.400 0.008 0.000 0.794 302 E CB 2.022 31.725 29.700 0.006 0.000 1.210 302 E HN 0.318 nan 8.360 nan 0.000 0.414 303 P HA 0.095 nan 4.420 nan 0.000 0.271 303 P C -1.448 175.859 177.300 0.012 0.000 1.244 303 P CA -0.298 62.810 63.100 0.014 0.000 0.793 303 P CB 0.626 32.333 31.700 0.011 0.000 0.984 304 A N 1.668 124.496 122.820 0.014 0.000 2.293 304 A HA 0.416 4.736 4.320 0.001 0.000 0.312 304 A C 0.421 178.011 177.584 0.010 0.000 1.309 304 A CA -0.644 51.400 52.037 0.012 0.000 0.839 304 A CB -0.057 18.952 19.000 0.014 0.000 1.155 304 A HN 0.595 nan 8.150 nan 0.000 0.501 305 L N 1.495 122.722 121.223 0.007 0.000 2.415 305 L HA 0.307 4.647 4.340 0.001 0.000 0.194 305 L C 1.353 178.226 176.870 0.005 0.000 1.256 305 L CA 0.713 55.556 54.840 0.005 0.000 1.974 305 L CB -0.053 42.008 42.059 0.002 0.000 1.753 305 L HN 0.935 nan 8.230 nan 0.000 0.948 306 E N -1.122 119.080 120.200 0.004 0.000 4.028 306 E HA -0.204 4.146 4.350 0.001 0.000 0.343 306 E C -0.512 176.090 176.600 0.004 0.000 0.700 306 E CA 0.599 57.002 56.400 0.004 0.000 1.288 306 E CB -0.898 28.805 29.700 0.006 0.000 1.677 306 E HN 0.665 nan 8.360 nan 0.000 0.424 307 T N -0.258 114.297 114.554 0.002 0.000 2.923 307 T HA -0.121 4.229 4.350 0.001 0.000 0.463 307 T C -2.579 172.123 174.700 0.003 0.000 0.780 307 T CA 0.761 62.862 62.100 0.001 0.000 2.436 307 T CB -0.355 68.514 68.868 0.002 0.000 1.675 307 T HN 0.102 nan 8.240 nan 0.000 0.598 308 P HA 0.367 nan 4.420 nan 0.000 0.211 308 P C -1.976 175.328 177.300 0.006 0.000 1.856 308 P CA -0.936 62.168 63.100 0.006 0.000 0.962 308 P CB -0.048 31.657 31.700 0.008 0.000 1.785 309 P HA 0.301 nan 4.420 nan 0.000 0.240 309 P C 0.494 177.800 177.300 0.009 0.000 1.854 309 P CA -0.214 62.891 63.100 0.007 0.000 1.081 309 P CB 0.690 32.394 31.700 0.007 0.000 1.646 310 Q N 0.653 120.458 119.800 0.010 0.000 3.007 310 Q HA 0.503 4.844 4.340 0.001 0.000 0.263 310 Q C 0.600 176.608 176.000 0.013 0.000 1.155 310 Q CA 0.198 56.008 55.803 0.011 0.000 0.415 310 Q CB -0.250 28.494 28.738 0.010 0.000 5.520 310 Q HN 0.267 nan 8.270 nan 0.000 0.331 311 A N -0.374 122.454 122.820 0.014 0.000 6.226 311 A HA -0.163 4.158 4.320 0.001 0.000 0.254 311 A C -0.080 177.516 177.584 0.020 0.000 2.160 311 A CA 1.494 53.541 52.037 0.016 0.000 0.705 311 A CB -1.015 17.994 19.000 0.015 0.000 1.036 311 A HN 0.531 nan 8.150 nan 0.000 0.366 312 K N -4.305 116.110 120.400 0.024 0.000 3.417 312 K HA 0.514 4.835 4.320 0.001 0.000 0.375 312 K C 0.167 176.791 176.600 0.039 0.000 1.013 312 K CA 0.653 56.959 56.287 0.031 0.000 0.769 312 K CB 0.257 32.772 32.500 0.025 0.000 1.443 312 K HN 2.310 nan 8.250 nan 0.000 0.474 313 V N 1.132 121.070 119.914 0.041 0.000 5.117 313 V HA -0.125 3.996 4.120 0.001 0.000 0.285 313 V C -2.213 173.922 176.094 0.067 0.000 0.490 313 V CA 0.837 63.163 62.300 0.042 0.000 0.728 313 V CB -1.464 30.376 31.823 0.028 0.000 0.597 313 V HN 0.598 nan 8.190 nan 0.000 1.265 314 P HA 0.168 nan 4.420 nan 0.000 0.267 314 P C -0.175 177.262 177.300 0.227 0.000 1.205 314 P CA 0.231 63.425 63.100 0.157 0.000 0.765 314 P CB 0.633 32.467 31.700 0.223 0.000 0.828 315 K N 2.592 123.089 120.400 0.162 0.000 2.298 315 K HA 0.289 4.610 4.320 0.001 0.000 0.280 315 K C -0.546 176.210 176.600 0.261 0.000 1.032 315 K CA -0.353 56.039 56.287 0.176 0.000 0.958 315 K CB 0.242 32.790 32.500 0.081 0.000 0.978 315 K HN 0.255 nan 8.250 nan 0.000 0.472 316 F N 3.641 123.584 119.950 -0.012 0.000 2.483 316 F HA 0.462 4.990 4.527 0.001 0.000 0.329 316 F C 0.440 176.231 175.800 -0.015 0.000 1.064 316 F CA -1.071 56.920 58.000 -0.014 0.000 0.986 316 F CB 1.099 40.090 39.000 -0.015 0.000 1.218 316 F HN 0.346 nan 8.300 nan 0.000 0.484 317 I N -0.844 119.772 120.570 0.076 0.000 2.646 317 I HA 0.585 4.756 4.170 0.001 0.000 0.299 317 I C -1.408 174.739 176.117 0.050 0.000 1.036 317 I CA -0.865 60.458 61.300 0.039 0.000 1.074 317 I CB 2.264 40.251 38.000 -0.022 0.000 1.258 317 I HN 0.275 nan 8.210 nan 0.000 0.430 318 D N 5.283 125.708 120.400 0.041 0.000 2.280 318 D HA 0.447 5.087 4.640 0.001 0.000 0.236 318 D C -0.755 175.552 176.300 0.012 0.000 1.082 318 D CA -0.144 53.875 54.000 0.031 0.000 0.834 318 D CB 2.820 43.635 40.800 0.026 0.000 1.100 318 D HN 0.367 nan 8.370 nan 0.000 0.486 319 V N 2.950 122.867 119.914 0.006 0.000 2.680 319 V HA 0.461 4.581 4.120 0.001 0.000 0.309 319 V C -1.286 174.805 176.094 -0.005 0.000 1.052 319 V CA -0.819 61.481 62.300 0.001 0.000 0.908 319 V CB 2.366 34.187 31.823 -0.004 0.000 1.001 319 V HN 0.341 nan 8.190 nan 0.000 0.431 320 L N 6.211 127.427 121.223 -0.011 0.000 2.296 320 L HA 0.658 4.998 4.340 0.001 0.000 0.286 320 L C -0.838 176.017 176.870 -0.026 0.000 1.023 320 L CA -0.150 54.676 54.840 -0.023 0.000 0.812 320 L CB 1.479 43.521 42.059 -0.028 0.000 1.223 320 L HN 0.716 nan 8.230 nan 0.000 0.421 321 L N 5.543 126.747 121.223 -0.032 0.000 2.309 321 L HA 0.604 4.945 4.340 0.001 0.000 0.282 321 L C -0.720 176.141 176.870 -0.015 0.000 1.036 321 L CA -0.021 54.785 54.840 -0.056 0.000 0.806 321 L CB 1.044 43.012 42.059 -0.152 0.000 1.220 321 L HN 0.769 nan 8.230 nan 0.000 0.429 322 K N 4.041 124.450 120.400 0.015 0.000 2.468 322 K HA 0.716 5.037 4.320 0.001 0.000 0.252 322 K C -2.108 174.568 176.600 0.126 0.000 0.932 322 K CA -0.720 55.604 56.287 0.062 0.000 0.794 322 K CB 1.996 34.514 32.500 0.030 0.000 1.241 322 K HN 0.441 nan 8.250 nan 0.000 0.428 323 V N 3.335 123.375 119.914 0.210 0.000 2.448 323 V HA 0.471 4.591 4.120 0.001 0.000 0.295 323 V C -0.513 175.717 176.094 0.227 0.000 1.025 323 V CA -0.559 61.895 62.300 0.256 0.000 0.859 323 V CB 1.306 33.318 31.823 0.315 0.000 0.988 323 V HN 0.969 nan 8.190 nan 0.000 0.431 324 S N 2.432 118.262 115.700 0.217 0.000 2.671 324 S HA 0.874 5.344 4.470 0.001 0.000 0.299 324 S C 0.673 175.341 174.600 0.112 0.000 1.116 324 S CA 0.048 58.331 58.200 0.138 0.000 0.912 324 S CB 1.946 65.190 63.200 0.073 0.000 1.130 324 S HN 2.187 nan 8.310 nan 0.000 0.501 325 G N 0.115 108.938 108.800 0.038 0.000 2.176 325 G HA2 -0.191 3.769 3.960 0.001 0.000 0.253 325 G HA3 -0.191 3.769 3.960 0.001 0.000 0.253 325 G C -0.113 174.779 174.900 -0.013 0.000 0.979 325 G CA 0.365 45.440 45.100 -0.042 0.000 0.641 325 G HN 1.655 nan 8.290 nan 0.000 0.530 326 I N -2.624 117.995 120.570 0.082 0.000 2.740 326 I HA 0.836 5.007 4.170 0.001 0.000 0.303 326 I C 1.397 177.566 176.117 0.087 0.000 1.044 326 I CA -0.198 61.162 61.300 0.101 0.000 1.064 326 I CB 1.635 39.748 38.000 0.189 0.000 1.249 326 I HN 0.144 nan 8.210 nan 0.000 0.433 327 S N 2.755 118.496 115.700 0.069 0.000 2.353 327 S HA 0.059 4.529 4.470 0.001 0.000 0.222 327 S C -0.989 173.649 174.600 0.063 0.000 1.035 327 S CA 0.971 59.204 58.200 0.055 0.000 1.025 327 S CB -1.422 61.804 63.200 0.043 0.000 0.902 327 S HN 0.792 nan 8.310 nan 0.000 0.440 328 P HA 0.446 nan 4.420 nan 0.000 0.297 328 P C -0.989 176.386 177.300 0.126 0.000 1.331 328 P CA -0.549 62.605 63.100 0.090 0.000 0.803 328 P CB 1.516 33.269 31.700 0.089 0.000 0.929 329 S N 2.834 118.604 115.700 0.116 0.000 2.576 329 S HA 0.329 4.799 4.470 0.001 0.000 0.276 329 S C -0.478 174.238 174.600 0.193 0.000 1.339 329 S CA -0.471 57.816 58.200 0.145 0.000 1.039 329 S CB 0.462 63.720 63.200 0.096 0.000 0.902 329 S HN 0.517 nan 8.310 nan 0.000 0.516 330 Y N 1.468 121.824 120.300 0.094 0.000 2.429 330 Y HA 0.643 5.194 4.550 0.000 0.000 0.342 330 Y C -0.091 175.864 175.900 0.091 0.000 1.004 330 Y CA -1.007 57.157 58.100 0.108 0.000 1.075 330 Y CB 1.479 40.032 38.460 0.155 0.000 1.214 330 Y HN 0.775 nan 8.280 nan 0.000 0.455 331 R N 3.220 123.384 120.500 -0.560 0.000 2.725 331 R HA 0.362 4.703 4.340 0.001 0.000 0.277 331 R C -2.042 173.893 176.300 -0.609 0.000 0.987 331 R CA -1.178 54.679 56.100 -0.406 0.000 0.901 331 R CB 2.055 32.236 30.300 -0.200 0.000 1.207 331 R HN 0.816 nan 8.270 nan 0.000 0.463 332 H N -0.182 118.663 119.070 -0.375 0.000 2.877 332 H HA 0.243 4.800 4.556 0.001 0.000 0.347 332 H C -1.411 173.837 175.328 -0.133 0.000 1.042 332 H CA -0.159 55.746 56.048 -0.239 0.000 1.276 332 H CB 1.886 31.592 29.762 -0.094 0.000 1.681 332 H HN 0.441 nan 8.280 nan 0.000 0.521 333 S N 4.440 119.951 115.700 -0.316 0.000 2.457 333 S HA 0.549 5.020 4.470 0.001 0.000 0.289 333 S C -0.723 173.831 174.600 -0.078 0.000 1.163 333 S CA -0.204 57.906 58.200 -0.150 0.000 1.078 333 S CB 0.041 63.151 63.200 -0.150 0.000 0.987 333 S HN 0.640 nan 8.310 nan 0.000 0.482 334 V N 2.987 122.920 119.914 0.033 0.000 2.876 334 V HA 0.860 4.981 4.120 0.001 0.000 0.312 334 V C -0.738 175.384 176.094 0.045 0.000 1.085 334 V CA -0.506 61.834 62.300 0.067 0.000 0.945 334 V CB 2.113 34.009 31.823 0.122 0.000 1.017 334 V HN 0.767 nan 8.190 nan 0.000 0.428 335 S N 3.815 119.559 115.700 0.073 0.000 2.478 335 S HA 0.872 5.342 4.470 0.001 0.000 0.312 335 S C -0.371 174.314 174.600 0.141 0.000 1.094 335 S CA -0.296 57.984 58.200 0.134 0.000 1.081 335 S CB 1.296 64.617 63.200 0.200 0.000 1.007 335 S HN 1.692 nan 8.310 nan 0.000 0.475 336 V N 0.633 120.506 119.914 -0.068 0.000 3.130 336 V HA 0.749 4.869 4.120 0.001 0.000 0.310 336 V C -3.249 172.292 176.094 -0.923 0.000 1.158 336 V CA -3.240 58.805 62.300 -0.424 0.000 1.029 336 V CB 1.250 32.939 31.823 -0.224 0.000 1.057 336 V HN 0.471 nan 8.190 nan 0.000 0.436 337 P HA 0.262 nan 4.420 nan 0.000 0.265 337 P C -0.077 176.998 177.300 -0.375 0.000 1.193 337 P CA 0.629 63.227 63.100 -0.836 0.000 0.765 337 P CB 0.339 31.729 31.700 -0.516 0.000 0.823 338 A N 3.480 126.166 122.820 -0.224 0.000 2.546 338 A HA 0.393 4.714 4.320 0.001 0.000 0.243 338 A C 1.568 179.081 177.584 -0.118 0.000 1.063 338 A CA 0.992 52.953 52.037 -0.126 0.000 0.757 338 A CB -1.331 17.633 19.000 -0.061 0.000 0.991 338 A HN 0.866 nan 8.150 nan 0.000 0.503 339 G N 1.583 110.315 108.800 -0.114 0.000 2.213 339 G HA2 -0.186 3.774 3.960 0.001 0.000 0.226 339 G HA3 -0.186 3.774 3.960 0.001 0.000 0.226 339 G C 0.498 175.338 174.900 -0.099 0.000 0.992 339 G CA 0.197 45.239 45.100 -0.097 0.000 0.632 339 G HN 1.271 nan 8.290 nan 0.000 0.511 340 S N 1.406 117.034 115.700 -0.120 0.000 2.549 340 S HA 0.494 4.964 4.470 0.001 0.000 0.286 340 S C 0.975 175.521 174.600 -0.089 0.000 1.314 340 S CA 0.410 58.549 58.200 -0.102 0.000 1.062 340 S CB 1.250 64.375 63.200 -0.124 0.000 0.865 340 S HN 1.518 nan 8.310 nan 0.000 0.498 341 S N 2.671 118.337 115.700 -0.057 0.000 2.624 341 S HA 0.257 4.728 4.470 0.001 0.000 0.263 341 S C 1.075 175.657 174.600 -0.031 0.000 1.287 341 S CA -0.810 57.367 58.200 -0.039 0.000 0.990 341 S CB 0.325 63.524 63.200 -0.001 0.000 0.950 341 S HN 0.536 nan 8.310 nan 0.000 0.561 342 L N 0.838 122.067 121.223 0.011 0.000 2.083 342 L HA -0.028 4.313 4.340 0.001 0.000 0.209 342 L C 2.499 179.316 176.870 -0.089 0.000 1.083 342 L CA 2.147 56.983 54.840 -0.007 0.000 0.752 342 L CB -1.194 40.907 42.059 0.070 0.000 0.899 342 L HN 1.015 nan 8.230 nan 0.000 0.433 343 E N -0.731 119.437 120.200 -0.054 0.000 2.085 343 E HA -0.261 4.089 4.350 0.001 0.000 0.194 343 E C 1.664 178.236 176.600 -0.047 0.000 0.994 343 E CA 1.541 57.903 56.400 -0.063 0.000 0.801 343 E CB -0.038 29.684 29.700 0.037 0.000 0.743 343 E HN 0.563 nan 8.360 nan 0.000 0.453 344 D N 0.502 120.891 120.400 -0.019 0.000 2.104 344 D HA -0.182 4.458 4.640 0.001 0.000 0.194 344 D C 2.083 178.363 176.300 -0.034 0.000 0.994 344 D CA 1.065 55.061 54.000 -0.007 0.000 0.830 344 D CB -0.300 40.489 40.800 -0.017 0.000 0.959 344 D HN 0.312 nan 8.370 nan 0.000 0.452 345 I N 0.733 121.256 120.570 -0.079 0.000 2.163 345 I HA -0.259 3.912 4.170 0.001 0.000 0.243 345 I C 2.490 178.489 176.117 -0.198 0.000 1.085 345 I CA 0.753 61.986 61.300 -0.111 0.000 1.347 345 I CB -0.154 37.776 38.000 -0.116 0.000 1.044 345 I HN -0.008 nan 8.210 nan 0.000 0.408 346 L N 0.268 121.303 121.223 -0.314 0.000 2.012 346 L HA -0.249 4.091 4.340 0.001 0.000 0.210 346 L C 2.560 179.355 176.870 -0.125 0.000 1.073 346 L CA 1.646 56.184 54.840 -0.504 0.000 0.748 346 L CB -0.716 40.726 42.059 -1.028 0.000 0.891 346 L HN 0.214 nan 8.230 nan 0.000 0.431 347 K N 0.100 120.528 120.400 0.048 0.000 2.057 347 K HA -0.224 4.097 4.320 0.001 0.000 0.207 347 K C 1.861 178.543 176.600 0.138 0.000 1.049 347 K CA 1.905 58.347 56.287 0.259 0.000 0.931 347 K CB -0.302 32.322 32.500 0.207 0.000 0.714 347 K HN 0.269 nan 8.250 nan 0.000 0.440 348 N N 0.617 119.364 118.700 0.078 0.000 2.120 348 N HA -0.188 4.552 4.740 0.001 0.000 0.188 348 N C 1.695 177.288 175.510 0.138 0.000 1.024 348 N CA 1.407 54.542 53.050 0.141 0.000 0.852 348 N CB -0.053 38.514 38.487 0.134 0.000 1.003 348 N HN 0.204 nan 8.380 nan 0.000 0.424 349 A N 0.112 122.902 122.820 -0.049 0.000 1.933 349 A HA -0.195 4.126 4.320 0.001 0.000 0.218 349 A C 2.137 179.718 177.584 -0.004 0.000 1.175 349 A CA 1.457 53.305 52.037 -0.314 0.000 0.628 349 A CB -0.798 17.711 19.000 -0.819 0.000 0.814 349 A HN 0.568 nan 8.150 nan 0.000 0.444 350 Q N -1.130 118.780 119.800 0.184 0.000 2.167 350 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 350 Q C 1.951 177.995 176.000 0.074 0.000 0.970 350 Q CA 1.597 57.526 55.803 0.209 0.000 0.855 350 Q CB -0.042 28.876 28.738 0.299 0.000 0.911 350 Q HN 0.577 nan 8.270 nan 0.000 0.438 351 E N -0.124 120.082 120.200 0.011 0.000 2.046 351 E HA -0.112 4.238 4.350 0.001 0.000 0.190 351 E C 0.513 176.984 176.600 -0.214 0.000 0.982 351 E CA 1.384 57.687 56.400 -0.161 0.000 0.800 351 E CB 0.044 29.557 29.700 -0.311 0.000 0.756 351 E HN 0.497 nan 8.360 nan 0.000 0.449 352 H N -1.317 117.819 119.070 0.110 0.000 2.507 352 H HA 0.536 5.092 4.556 0.001 0.000 0.294 352 H C 0.341 175.790 175.328 0.201 0.000 1.064 352 H CA 0.155 56.285 56.048 0.137 0.000 1.138 352 H CB 0.739 30.587 29.762 0.144 0.000 1.515 352 H HN 0.163 nan 8.280 nan 0.000 0.547 353 G N -0.524 108.434 108.800 0.263 0.000 2.494 353 G HA2 0.141 4.101 3.960 0.001 0.000 0.308 353 G HA3 0.141 4.101 3.960 0.001 0.000 0.308 353 G C -0.293 174.743 174.900 0.227 0.000 1.263 353 G CA -0.953 44.336 45.100 0.314 0.000 0.840 353 G HN 0.162 nan 8.290 nan 0.000 0.479 354 R N -0.735 119.935 120.500 0.283 0.000 2.388 354 R HA 0.233 4.573 4.340 0.001 0.000 0.247 354 R C 0.136 176.479 176.300 0.073 0.000 0.931 354 R CA -0.326 55.879 56.100 0.175 0.000 1.082 354 R CB 0.099 30.516 30.300 0.194 0.000 1.135 354 R HN 0.294 nan 8.270 nan 0.000 0.525 355 F N 2.119 122.023 119.950 -0.077 0.000 2.506 355 F HA 0.128 4.656 4.527 0.001 0.000 0.351 355 F C 0.457 176.164 175.800 -0.155 0.000 1.136 355 F CA 0.061 57.886 58.000 -0.291 0.000 1.298 355 F CB 0.449 39.300 39.000 -0.248 0.000 1.145 355 F HN -0.176 nan 8.300 nan 0.000 0.593 356 R N 5.727 125.622 120.500 -1.008 0.000 2.651 356 R HA 0.577 4.917 4.340 0.001 0.000 0.278 356 R C -2.050 173.733 176.300 -0.862 0.000 1.010 356 R CA -0.623 55.069 56.100 -0.680 0.000 0.896 356 R CB 1.518 31.562 30.300 -0.426 0.000 1.211 356 R HN 0.656 nan 8.270 nan 0.000 0.456 357 F N 0.196 119.753 119.950 -0.655 0.000 2.678 357 F HA 0.639 5.166 4.527 0.000 0.000 0.308 357 F C -1.707 173.927 175.800 -0.277 0.000 1.118 357 F CA -1.006 56.688 58.000 -0.510 0.000 0.959 357 F CB 1.580 40.348 39.000 -0.386 0.000 1.305 357 F HN 0.334 nan 8.300 nan 0.000 0.443 358 R N 1.136 121.459 120.500 -0.295 0.000 2.744 358 R HA 0.731 5.071 4.340 0.001 0.000 0.279 358 R C -1.153 175.095 176.300 -0.088 0.000 0.977 358 R CA -0.760 55.167 56.100 -0.289 0.000 0.906 358 R CB 2.647 32.834 30.300 -0.189 0.000 1.197 358 R HN 1.009 nan 8.270 nan 0.000 0.463 359 T N -1.309 113.211 114.554 -0.057 0.000 2.930 359 T HA 0.481 4.832 4.350 0.001 0.000 0.290 359 T C -0.583 174.159 174.700 0.070 0.000 1.052 359 T CA -0.962 61.170 62.100 0.053 0.000 1.017 359 T CB 2.069 71.010 68.868 0.121 0.000 1.137 359 T HN 0.613 nan 8.240 nan 0.000 0.511 360 Q N 0.690 120.582 119.800 0.154 0.000 2.413 360 Q HA 0.735 5.076 4.340 0.001 0.000 0.276 360 Q C -0.686 175.412 176.000 0.164 0.000 1.099 360 Q CA -1.468 54.424 55.803 0.149 0.000 0.814 360 Q CB 1.958 30.798 28.738 0.171 0.000 1.379 360 Q HN 0.969 nan 8.270 nan 0.000 0.436 361 A N 1.652 124.536 122.820 0.107 0.000 2.498 361 A HA 0.485 4.806 4.320 0.001 0.000 0.239 361 A C 0.004 177.632 177.584 0.072 0.000 1.068 361 A CA 0.512 52.606 52.037 0.094 0.000 0.766 361 A CB 0.051 19.092 19.000 0.068 0.000 1.003 361 A HN 0.941 nan 8.150 nan 0.000 0.497 362 S N 1.041 116.778 115.700 0.061 0.000 2.671 362 S HA 0.516 4.986 4.470 0.001 0.000 0.277 362 S C 0.384 174.987 174.600 0.005 0.000 1.165 362 S CA -0.674 57.529 58.200 0.004 0.000 0.822 362 S CB 0.448 63.618 63.200 -0.049 0.000 1.150 362 S HN 0.562 nan 8.310 nan 0.000 0.479 363 L N 1.006 122.220 121.223 -0.014 0.000 2.456 363 L HA 0.055 4.396 4.340 0.001 0.000 0.224 363 L C 1.827 178.660 176.870 -0.061 0.000 1.148 363 L CA 0.738 55.569 54.840 -0.015 0.000 0.825 363 L CB -0.585 41.481 42.059 0.012 0.000 0.937 363 L HN 0.710 nan 8.230 nan 0.000 0.450 364 S N -0.755 114.912 115.700 -0.055 0.000 2.556 364 S HA 0.358 4.829 4.470 0.001 0.000 0.216 364 S C 0.847 175.420 174.600 -0.045 0.000 0.970 364 S CA 0.520 58.680 58.200 -0.067 0.000 0.912 364 S CB 0.527 63.692 63.200 -0.057 0.000 0.790 364 S HN 0.672 nan 8.310 nan 0.000 0.504 365 G N 1.930 110.724 108.800 -0.009 0.000 2.447 365 G HA2 -0.099 3.862 3.960 0.001 0.000 0.220 365 G HA3 -0.099 3.862 3.960 0.001 0.000 0.220 365 G C -3.368 171.605 174.900 0.122 0.000 1.261 365 G CA -1.308 43.826 45.100 0.057 0.000 1.000 365 G HN 0.093 nan 8.290 nan 0.000 0.515 366 P HA 0.428 nan 4.420 nan 0.000 0.270 366 P C -0.732 176.697 177.300 0.215 0.000 1.242 366 P CA 0.126 63.331 63.100 0.174 0.000 0.768 366 P CB 0.247 32.044 31.700 0.162 0.000 0.820 367 F N 5.437 125.427 119.950 0.067 0.000 2.405 367 F HA 0.378 4.905 4.527 0.001 0.000 0.355 367 F C -0.378 175.483 175.800 0.101 0.000 1.121 367 F CA -1.409 56.631 58.000 0.068 0.000 1.112 367 F CB 0.628 39.660 39.000 0.053 0.000 1.126 367 F HN 0.086 nan 8.300 nan 0.000 0.481 368 L N 6.684 127.672 121.223 -0.392 0.000 2.418 368 L HA 0.239 4.580 4.340 0.001 0.000 0.274 368 L C 0.853 177.489 176.870 -0.390 0.000 1.135 368 L CA 0.798 55.470 54.840 -0.281 0.000 0.870 368 L CB 0.515 42.461 42.059 -0.190 0.000 1.154 368 L HN 0.880 nan 8.230 nan 0.000 0.462 369 T N -0.517 113.958 114.554 -0.132 0.000 2.955 369 T HA 0.273 4.623 4.350 0.001 0.000 0.251 369 T C 0.635 175.420 174.700 0.141 0.000 1.002 369 T CA 0.285 62.418 62.100 0.054 0.000 0.970 369 T CB 0.062 69.010 68.868 0.133 0.000 1.091 369 T HN 0.487 nan 8.240 nan 0.000 0.495 370 S N 0.156 115.798 115.700 -0.096 0.000 2.548 370 S HA 0.692 5.162 4.470 0.001 0.000 0.276 370 S C -1.725 172.579 174.600 -0.493 0.000 1.129 370 S CA -0.508 57.603 58.200 -0.149 0.000 0.931 370 S CB 1.915 65.073 63.200 -0.069 0.000 1.068 370 S HN 0.241 nan 8.310 nan 0.000 0.480 371 V N 5.348 124.863 119.914 -0.666 0.000 2.686 371 V HA 0.508 4.629 4.120 0.001 0.000 0.306 371 V C 0.006 175.816 176.094 -0.474 0.000 1.065 371 V CA -0.824 60.987 62.300 -0.815 0.000 0.894 371 V CB 1.411 32.333 31.823 -1.501 0.000 1.004 371 V HN 1.058 nan 8.190 nan 0.000 0.424 372 L N 4.579 125.480 121.223 -0.536 0.000 3.742 372 L HA -0.275 4.066 4.340 0.001 0.000 0.431 372 L C 1.460 178.217 176.870 -0.188 0.000 1.220 372 L CA 0.973 55.588 54.840 -0.374 0.000 0.863 372 L CB -1.407 40.473 42.059 -0.298 0.000 1.751 372 L HN 1.292 nan 8.230 nan 0.000 0.922 373 G N -1.303 107.389 108.800 -0.179 0.000 2.179 373 G HA2 -0.308 3.652 3.960 0.001 0.000 0.260 373 G HA3 -0.308 3.652 3.960 0.001 0.000 0.260 373 G C 0.374 175.271 174.900 -0.005 0.000 0.977 373 G CA 0.262 45.309 45.100 -0.089 0.000 0.641 373 G HN 0.317 nan 8.290 nan 0.000 0.533 374 R N 0.740 121.275 120.500 0.058 0.000 2.233 374 R HA 0.323 4.664 4.340 0.001 0.000 0.334 374 R C 0.392 176.883 176.300 0.319 0.000 1.037 374 R CA -0.496 55.722 56.100 0.197 0.000 0.920 374 R CB 1.027 31.517 30.300 0.315 0.000 1.137 374 R HN 0.462 nan 8.270 nan 0.000 0.492 375 K N 1.439 121.964 120.400 0.208 0.000 2.298 375 K HA 0.288 4.609 4.320 0.001 0.000 0.280 375 K C -0.287 176.461 176.600 0.247 0.000 1.032 375 K CA -0.266 56.160 56.287 0.232 0.000 0.958 375 K CB 0.963 33.540 32.500 0.128 0.000 0.978 375 K HN 0.549 nan 8.250 nan 0.000 0.472 376 A N 3.411 126.410 122.820 0.298 0.000 2.488 376 A HA 0.334 4.654 4.320 0.001 0.000 0.249 376 A C 0.569 178.240 177.584 0.146 0.000 1.083 376 A CA 0.181 52.305 52.037 0.144 0.000 0.768 376 A CB 0.325 19.425 19.000 0.168 0.000 1.017 376 A HN 0.933 nan 8.150 nan 0.000 0.496 377 G N 1.078 109.935 108.800 0.094 0.000 2.504 377 G HA2 0.380 4.341 3.960 0.001 0.000 0.257 377 G HA3 0.380 4.341 3.960 0.001 0.000 0.257 377 G C 0.485 175.462 174.900 0.129 0.000 1.451 377 G CA 0.086 45.243 45.100 0.094 0.000 1.059 377 G HN 0.666 nan 8.290 nan 0.000 0.550 378 E N -0.469 119.782 120.200 0.084 0.000 2.031 378 E HA -0.062 4.288 4.350 0.001 0.000 0.193 378 E C 2.018 178.655 176.600 0.061 0.000 0.994 378 E CA 1.021 57.461 56.400 0.067 0.000 0.800 378 E CB 0.006 29.718 29.700 0.019 0.000 0.752 378 E HN 0.370 nan 8.360 nan 0.000 0.447 379 R N 0.642 121.157 120.500 0.026 0.000 2.865 379 R HA 0.209 4.549 4.340 0.001 0.000 0.370 379 R C -0.925 175.518 176.300 0.238 0.000 1.168 379 R CA 0.044 56.084 56.100 -0.101 0.000 1.058 379 R CB 0.156 30.303 30.300 -0.255 0.000 1.419 379 R HN 0.032 nan 8.270 nan 0.000 0.580 380 E N 0.244 120.707 120.200 0.439 0.000 2.277 380 E HA 0.397 4.747 4.350 0.001 0.000 0.266 380 E C -1.127 175.790 176.600 0.529 0.000 0.901 380 E CA -1.085 55.562 56.400 0.411 0.000 0.782 380 E CB 2.025 31.778 29.700 0.088 0.000 1.228 380 E HN 0.109 nan 8.360 nan 0.000 0.424 381 F N -1.915 118.058 119.950 0.039 0.000 2.645 381 F HA 0.524 5.052 4.527 0.001 0.000 0.310 381 F C -1.798 173.850 175.800 -0.254 0.000 1.102 381 F CA -1.496 56.455 58.000 -0.082 0.000 0.952 381 F CB 0.648 39.571 39.000 -0.129 0.000 1.326 381 F HN 0.418 nan 8.300 nan 0.000 0.456 382 W N 3.264 124.485 121.300 -0.132 0.000 2.546 382 W HA 0.388 5.049 4.660 0.001 0.000 0.323 382 W C 0.243 176.599 176.519 -0.271 0.000 1.272 382 W CA 0.019 57.219 57.345 -0.242 0.000 1.404 382 W CB 0.782 30.144 29.460 -0.163 0.000 1.411 382 W HN 0.602 nan 8.180 nan 0.000 0.480 383 Q N 2.442 122.036 119.800 -0.344 0.000 2.261 383 Q HA 0.424 4.765 4.340 0.001 0.000 0.252 383 Q C -0.849 175.132 176.000 -0.032 0.000 0.915 383 Q CA -0.372 55.288 55.803 -0.237 0.000 0.915 383 Q CB 1.223 29.668 28.738 -0.488 0.000 1.204 383 Q HN 0.273 nan 8.270 nan 0.000 0.421 384 V N 5.516 125.427 119.914 -0.004 0.000 2.417 384 V HA 0.458 4.579 4.120 0.001 0.000 0.291 384 V C -0.620 175.423 176.094 -0.085 0.000 1.024 384 V CA -0.641 61.634 62.300 -0.042 0.000 0.861 384 V CB 1.236 33.020 31.823 -0.065 0.000 0.985 384 V HN 0.650 nan 8.190 nan 0.000 0.436 385 L N 4.149 125.319 121.223 -0.088 0.000 2.371 385 L HA 0.640 4.981 4.340 0.001 0.000 0.262 385 L C -0.040 176.763 176.870 -0.111 0.000 1.006 385 L CA -0.604 54.180 54.840 -0.093 0.000 0.818 385 L CB 1.904 43.932 42.059 -0.051 0.000 1.354 385 L HN 0.600 nan 8.230 nan 0.000 0.415 386 R N 1.119 121.550 120.500 -0.114 0.000 2.221 386 R HA 0.248 4.589 4.340 0.001 0.000 0.327 386 R C -0.786 175.496 176.300 -0.029 0.000 1.033 386 R CA -0.551 55.507 56.100 -0.069 0.000 0.887 386 R CB 0.780 31.047 30.300 -0.056 0.000 1.057 386 R HN 0.725 nan 8.270 nan 0.000 0.455 387 D N 5.125 125.516 120.400 -0.015 0.000 2.424 387 D HA 0.125 4.765 4.640 0.001 0.000 0.244 387 D C -1.970 174.331 176.300 0.001 0.000 1.134 387 D CA -0.918 53.078 54.000 -0.006 0.000 0.881 387 D CB 0.959 41.758 40.800 -0.002 0.000 1.191 387 D HN 0.318 nan 8.370 nan 0.000 0.445 388 P HA 0.245 nan 4.420 nan 0.000 0.296 388 P C -0.687 176.613 177.300 -0.001 0.000 1.306 388 P CA -0.363 62.738 63.100 0.001 0.000 0.818 388 P CB 1.063 32.765 31.700 0.004 0.000 0.969 389 D N 0.189 120.587 120.400 -0.004 0.000 2.882 389 D HA -0.102 4.539 4.640 0.001 0.000 0.229 389 D C -0.651 175.648 176.300 -0.001 0.000 1.167 389 D CA 1.235 55.233 54.000 -0.003 0.000 0.759 389 D CB -1.115 39.687 40.800 0.004 0.000 1.088 389 D HN 0.390 nan 8.370 nan 0.000 0.425 390 T N 1.363 115.911 114.554 -0.010 0.000 2.893 390 T HA 0.381 4.732 4.350 0.001 0.000 0.324 390 T C -2.449 172.233 174.700 -0.030 0.000 1.082 390 T CA -1.167 60.928 62.100 -0.009 0.000 0.983 390 T CB 2.058 70.923 68.868 -0.005 0.000 1.005 390 T HN -0.135 nan 8.240 nan 0.000 0.475 391 P HA 0.107 nan 4.420 nan 0.000 0.264 391 P C 0.036 177.307 177.300 -0.050 0.000 1.193 391 P CA -0.238 62.849 63.100 -0.022 0.000 0.763 391 P CB 0.438 32.155 31.700 0.028 0.000 0.810 392 L N 3.178 124.328 121.223 -0.121 0.000 2.473 392 L HA 0.077 4.417 4.340 0.001 0.000 0.268 392 L C 1.520 178.353 176.870 -0.061 0.000 1.215 392 L CA 0.232 54.960 54.840 -0.187 0.000 0.823 392 L CB 0.018 41.835 42.059 -0.403 0.000 1.099 392 L HN 0.422 nan 8.230 nan 0.000 0.483 393 Q N 0.651 120.444 119.800 -0.011 0.000 2.198 393 Q HA 0.204 4.544 4.340 0.001 0.000 0.209 393 Q C -0.568 175.397 176.000 -0.058 0.000 0.848 393 Q CA 0.005 55.842 55.803 0.056 0.000 0.974 393 Q CB 0.966 29.814 28.738 0.183 0.000 1.115 393 Q HN 0.588 nan 8.270 nan 0.000 0.494 394 Q N -0.740 119.027 119.800 -0.055 0.000 2.423 394 Q HA 0.538 4.878 4.340 0.001 0.000 0.278 394 Q C -0.358 175.620 176.000 -0.037 0.000 1.097 394 Q CA -0.742 55.010 55.803 -0.086 0.000 0.809 394 Q CB 2.036 30.804 28.738 0.050 0.000 1.391 394 Q HN 0.217 nan 8.270 nan 0.000 0.428 395 G N 0.328 109.111 108.800 -0.028 0.000 2.563 395 G HA2 0.282 4.242 3.960 0.001 0.000 0.283 395 G HA3 0.282 4.242 3.960 0.001 0.000 0.283 395 G C 0.871 175.798 174.900 0.044 0.000 1.309 395 G CA -0.362 44.745 45.100 0.013 0.000 1.022 395 G HN 0.803 nan 8.290 nan 0.000 0.501 396 I N -2.397 118.195 120.570 0.036 0.000 2.286 396 I HA -0.034 4.136 4.170 0.001 0.000 0.248 396 I C 2.425 178.575 176.117 0.055 0.000 1.115 396 I CA 1.853 63.173 61.300 0.032 0.000 1.392 396 I CB -0.190 37.798 38.000 -0.019 0.000 1.065 396 I HN 0.307 nan 8.210 nan 0.000 0.418 397 A N 0.504 123.365 122.820 0.068 0.000 2.066 397 A HA -0.090 4.230 4.320 0.001 0.000 0.218 397 A C 1.839 179.465 177.584 0.070 0.000 1.157 397 A CA 1.604 53.688 52.037 0.079 0.000 0.670 397 A CB -0.421 18.645 19.000 0.109 0.000 0.804 397 A HN 0.566 nan 8.150 nan 0.000 0.453 398 D N -2.625 117.813 120.400 0.064 0.000 2.422 398 D HA 0.080 4.720 4.640 0.001 0.000 0.218 398 D C -0.088 176.249 176.300 0.060 0.000 1.047 398 D CA 0.029 54.059 54.000 0.049 0.000 0.885 398 D CB -0.051 40.758 40.800 0.015 0.000 1.035 398 D HN 0.423 nan 8.370 nan 0.000 0.502 399 Y N 2.927 123.211 120.300 -0.027 0.000 2.442 399 Y HA 0.108 4.659 4.550 0.001 0.000 0.330 399 Y C 0.107 175.992 175.900 -0.024 0.000 1.129 399 Y CA 0.023 58.108 58.100 -0.025 0.000 1.365 399 Y CB 0.363 38.804 38.460 -0.031 0.000 1.233 399 Y HN -0.321 nan 8.280 nan 0.000 0.529 400 R N 7.686 127.757 120.500 -0.716 0.000 2.310 400 R HA 0.322 4.663 4.340 0.001 0.000 0.316 400 R C -2.744 173.126 176.300 -0.716 0.000 1.004 400 R CA -1.942 53.864 56.100 -0.490 0.000 0.900 400 R CB 0.880 31.017 30.300 -0.272 0.000 1.152 400 R HN 0.505 nan 8.270 nan 0.000 0.513 401 P HA -0.017 nan 4.420 nan 0.000 0.269 401 P C -0.418 176.790 177.300 -0.154 0.000 1.209 401 P CA 0.006 62.977 63.100 -0.215 0.000 0.776 401 P CB 0.709 32.422 31.700 0.022 0.000 0.876 402 K N 1.527 121.885 120.400 -0.069 0.000 2.106 402 K HA 0.233 4.554 4.320 0.001 0.000 0.246 402 K C -0.061 176.532 176.600 -0.012 0.000 0.987 402 K CA -0.774 55.487 56.287 -0.044 0.000 0.904 402 K CB 0.562 33.049 32.500 -0.023 0.000 1.071 402 K HN 0.434 nan 8.250 nan 0.000 0.453 403 D N 0.277 120.671 120.400 -0.011 0.000 2.583 403 D HA -0.020 4.621 4.640 0.001 0.000 0.232 403 D C 0.993 177.298 176.300 0.009 0.000 1.128 403 D CA 1.823 55.825 54.000 0.002 0.000 0.859 403 D CB 0.265 41.069 40.800 0.007 0.000 1.169 403 D HN 0.730 nan 8.370 nan 0.000 0.481 404 G N 3.131 111.937 108.800 0.011 0.000 2.155 404 G HA2 -0.309 3.651 3.960 0.001 0.000 0.257 404 G HA3 -0.309 3.651 3.960 0.001 0.000 0.257 404 G C 0.312 175.221 174.900 0.014 0.000 0.983 404 G CA 0.505 45.611 45.100 0.010 0.000 0.676 404 G HN 0.606 nan 8.290 nan 0.000 0.528 405 E N 0.520 120.733 120.200 0.023 0.000 2.354 405 E HA 0.415 4.765 4.350 0.001 0.000 0.269 405 E C -0.037 176.577 176.600 0.023 0.000 1.036 405 E CA 0.223 56.645 56.400 0.035 0.000 0.876 405 E CB 0.614 30.359 29.700 0.074 0.000 1.009 405 E HN 0.142 nan 8.360 nan 0.000 0.416 406 T N 3.690 118.254 114.554 0.016 0.000 2.758 406 T HA 0.353 4.704 4.350 0.001 0.000 0.285 406 T C -0.196 174.504 174.700 0.001 0.000 0.981 406 T CA -0.599 61.504 62.100 0.004 0.000 0.965 406 T CB 0.399 69.266 68.868 -0.002 0.000 0.927 406 T HN 0.207 nan 8.240 nan 0.000 0.448 407 I N 3.166 123.732 120.570 -0.008 0.000 2.378 407 I HA 0.382 4.552 4.170 0.001 0.000 0.291 407 I C 0.397 176.498 176.117 -0.027 0.000 0.992 407 I CA -0.765 60.519 61.300 -0.026 0.000 1.154 407 I CB 1.585 39.569 38.000 -0.027 0.000 1.315 407 I HN 0.687 nan 8.210 nan 0.000 0.448 408 E N 7.059 127.246 120.200 -0.023 0.000 2.166 408 E HA 0.513 4.864 4.350 0.001 0.000 0.275 408 E C -1.457 175.159 176.600 0.027 0.000 0.941 408 E CA -0.658 55.748 56.400 0.010 0.000 0.784 408 E CB 1.534 31.241 29.700 0.012 0.000 1.115 408 E HN 0.485 nan 8.360 nan 0.000 0.399 409 L N 5.103 126.377 121.223 0.086 0.000 2.265 409 L HA 0.517 4.858 4.340 0.001 0.000 0.289 409 L C 0.234 177.308 176.870 0.339 0.000 1.033 409 L CA -0.541 54.408 54.840 0.182 0.000 0.814 409 L CB 1.057 43.177 42.059 0.102 0.000 1.203 409 L HN 0.379 nan 8.230 nan 0.000 0.423 410 R N 3.527 124.170 120.500 0.239 0.000 2.439 410 R HA 0.433 4.774 4.340 0.001 0.000 0.310 410 R C -1.286 174.833 176.300 -0.301 0.000 0.955 410 R CA -0.957 55.163 56.100 0.034 0.000 0.853 410 R CB 1.743 32.004 30.300 -0.065 0.000 1.171 410 R HN 0.460 nan 8.270 nan 0.000 0.449 411 L N 6.637 127.459 121.223 -0.669 0.000 2.369 411 L HA 0.255 4.595 4.340 0.001 0.000 0.279 411 L C -0.604 175.918 176.870 -0.581 0.000 1.108 411 L CA 0.195 54.396 54.840 -1.064 0.000 0.852 411 L CB 1.062 42.339 42.059 -1.302 0.000 1.169 411 L HN 0.478 nan 8.230 nan 0.000 0.452 412 V N 2.337 121.899 119.914 -0.588 0.000 3.158 412 V HA 1.070 5.190 4.120 0.001 0.000 0.311 412 V C 0.096 176.089 176.094 -0.167 0.000 1.181 412 V CA -0.198 61.880 62.300 -0.370 0.000 1.054 412 V CB 1.150 32.712 31.823 -0.435 0.000 1.085 412 V HN 0.768 nan 8.190 nan 0.000 0.446 413 G N -0.812 108.018 108.800 0.050 0.000 2.932 413 G HA2 0.863 4.823 3.960 0.001 0.000 0.283 413 G HA3 0.863 4.823 3.960 0.001 0.000 0.283 413 G C -1.338 173.909 174.900 0.578 0.000 1.336 413 G CA -0.267 45.016 45.100 0.305 0.000 1.056 413 G HN 1.965 nan 8.290 nan 0.000 0.522 414 W N 0.000 121.385 121.300 0.142 0.000 2.388 414 W HA 0.000 4.660 4.660 0.001 0.000 0.303 414 W CA 0.000 57.422 57.345 0.129 0.000 1.226 414 W CB 0.000 29.569 29.460 0.181 0.000 1.126 414 W HN 0.000 nan 8.180 nan 0.000 0.535