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_B 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 0.000 175.513 175.510 0.004 0.000 1.280 1 N CA 0.000 53.051 53.050 0.001 0.000 0.885 1 N CB 0.000 38.487 38.487 0.000 0.000 1.341 2 I N 1.367 121.942 120.570 0.008 0.000 2.423 2 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 2 I C 0.939 177.069 176.117 0.022 0.000 1.151 2 I CA 1.248 62.556 61.300 0.013 0.000 1.421 2 I CB 0.084 38.093 38.000 0.015 0.000 1.079 2 I HN 0.697 nan 8.210 nan 0.000 0.431 3 c N 0.954 119.568 118.600 0.024 0.000 2.626 3 c HA 0.125 4.695 4.570 -0.000 0.000 0.266 3 c C 0.973 175.079 174.090 0.026 0.000 1.317 3 c CA -0.370 55.982 56.329 0.038 0.000 1.716 3 c CB -1.569 40.963 42.510 0.037 0.000 1.819 3 c HN 0.386 nan 8.230 nan 0.000 0.578 4 E N 0.800 121.007 120.200 0.011 0.000 2.331 4 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 4 E C -0.440 176.159 176.600 -0.002 0.000 1.036 4 E CA -0.075 56.325 56.400 0.000 0.000 0.864 4 E CB 0.865 30.561 29.700 -0.007 0.000 1.035 4 E HN 0.419 nan 8.360 nan 0.000 0.408 5 I N 2.813 123.378 120.570 -0.010 0.000 2.352 5 I HA 0.017 4.187 4.170 -0.000 0.000 0.290 5 I C 0.872 176.978 176.117 -0.020 0.000 1.036 5 I CA 0.179 61.470 61.300 -0.015 0.000 1.336 5 I CB 1.002 38.987 38.000 -0.025 0.000 1.407 5 I HN 0.610 nan 8.210 nan 0.000 0.497 6 T N 3.278 117.822 114.554 -0.017 0.000 3.056 6 T HA 0.063 4.413 4.350 -0.000 0.000 0.241 6 T C 0.780 175.469 174.700 -0.019 0.000 1.006 6 T CA 0.327 62.416 62.100 -0.017 0.000 1.115 6 T CB 0.255 69.115 68.868 -0.013 0.000 0.939 6 T HN 0.453 nan 8.240 nan 0.000 0.462 7 E N 3.062 123.251 120.200 -0.019 0.000 2.069 7 E HA 0.318 4.668 4.350 -0.000 0.000 0.254 7 E C -0.949 175.636 176.600 -0.024 0.000 1.088 7 E CA -0.035 56.353 56.400 -0.020 0.000 1.017 7 E CB 0.615 30.305 29.700 -0.017 0.000 1.226 7 E HN 0.243 nan 8.360 nan 0.000 0.458 8 V N 0.695 120.592 119.914 -0.028 0.000 2.547 8 V HA 0.208 4.328 4.120 -0.000 0.000 0.299 8 V C 0.202 176.278 176.094 -0.030 0.000 1.040 8 V CA -1.209 61.071 62.300 -0.033 0.000 0.913 8 V CB 1.839 33.637 31.823 -0.042 0.000 0.992 8 V HN 0.304 nan 8.190 nan 0.000 0.449 9 D N 2.451 122.832 120.400 -0.031 0.000 2.371 9 D HA 0.148 4.788 4.640 -0.000 0.000 0.256 9 D C 1.449 177.733 176.300 -0.027 0.000 1.193 9 D CA 0.693 54.677 54.000 -0.027 0.000 0.881 9 D CB 1.475 42.258 40.800 -0.027 0.000 1.143 9 D HN 0.753 nan 8.370 nan 0.000 0.473 10 S N 1.647 117.333 115.700 -0.023 0.000 2.419 10 S HA -0.230 4.240 4.470 -0.000 0.000 0.233 10 S C 1.891 176.479 174.600 -0.019 0.000 1.016 10 S CA 1.535 59.722 58.200 -0.022 0.000 0.974 10 S CB -0.722 62.467 63.200 -0.018 0.000 0.786 10 S HN 0.641 nan 8.310 nan 0.000 0.492 11 T N 0.310 114.854 114.554 -0.017 0.000 2.985 11 T HA 0.196 4.546 4.350 -0.000 0.000 0.266 11 T C 1.796 176.489 174.700 -0.013 0.000 1.076 11 T CA 0.738 62.830 62.100 -0.013 0.000 1.135 11 T CB -0.674 68.188 68.868 -0.011 0.000 0.890 11 T HN 0.386 nan 8.240 nan 0.000 0.480 12 L N 0.803 122.015 121.223 -0.019 0.000 2.056 12 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 12 L C 2.946 179.802 176.870 -0.023 0.000 1.078 12 L CA 0.805 55.633 54.840 -0.021 0.000 0.749 12 L CB -0.654 41.386 42.059 -0.031 0.000 0.901 12 L HN 0.144 nan 8.230 nan 0.000 0.433 13 V N -0.045 119.850 119.914 -0.031 0.000 2.295 13 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 13 V C 2.492 178.573 176.094 -0.022 0.000 1.049 13 V CA 2.114 64.393 62.300 -0.035 0.000 1.024 13 V CB -0.565 31.234 31.823 -0.039 0.000 0.648 13 V HN 0.525 nan 8.190 nan 0.000 0.447 14 E N 0.213 120.404 120.200 -0.015 0.000 2.085 14 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 14 E C 2.478 179.081 176.600 0.005 0.000 0.994 14 E CA 1.498 57.895 56.400 -0.006 0.000 0.801 14 E CB -0.092 29.605 29.700 -0.005 0.000 0.743 14 E HN 0.497 nan 8.360 nan 0.000 0.453 15 R N 0.005 120.509 120.500 0.007 0.000 2.091 15 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 15 R C 2.621 178.941 176.300 0.033 0.000 1.136 15 R CA 1.456 57.569 56.100 0.021 0.000 0.959 15 R CB -0.331 29.981 30.300 0.020 0.000 0.856 15 R HN 0.274 nan 8.270 nan 0.000 0.437 16 L N -0.779 120.458 121.223 0.023 0.000 1.989 16 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 16 L C 2.608 179.498 176.870 0.034 0.000 1.071 16 L CA 1.612 56.470 54.840 0.030 0.000 0.749 16 L CB -0.888 41.166 42.059 -0.009 0.000 0.890 16 L HN 0.378 nan 8.230 nan 0.000 0.431 17 G N -1.118 107.690 108.800 0.014 0.000 2.442 17 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 17 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 17 G C 1.510 176.432 174.900 0.037 0.000 1.141 17 G CA 0.462 45.571 45.100 0.015 0.000 0.763 17 G HN 0.405 nan 8.290 nan 0.000 0.554 18 Q N -0.356 119.468 119.800 0.040 0.000 2.226 18 Q HA -0.015 4.325 4.340 -0.000 0.000 0.204 18 Q C 2.758 178.808 176.000 0.083 0.000 0.975 18 Q CA 0.761 56.595 55.803 0.051 0.000 0.866 18 Q CB -0.052 28.709 28.738 0.039 0.000 0.915 18 Q HN 0.427 nan 8.270 nan 0.000 0.440 19 R N -0.110 120.451 120.500 0.101 0.000 2.148 19 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 19 R C 2.040 178.485 176.300 0.242 0.000 1.088 19 R CA 0.753 56.947 56.100 0.157 0.000 0.985 19 R CB -0.028 30.360 30.300 0.147 0.000 0.880 19 R HN 0.235 nan 8.270 nan 0.000 0.451 20 L N 0.103 121.430 121.223 0.174 0.000 2.240 20 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 20 L C 2.070 179.084 176.870 0.241 0.000 1.106 20 L CA 0.300 55.261 54.840 0.202 0.000 0.793 20 L CB -0.292 41.805 42.059 0.064 0.000 0.927 20 L HN 0.183 nan 8.230 nan 0.000 0.446 21 L N 1.348 122.658 121.223 0.145 0.000 1.990 21 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 21 L C -0.301 176.624 176.870 0.093 0.000 1.072 21 L CA 2.362 57.258 54.840 0.093 0.000 0.755 21 L CB -1.635 40.458 42.059 0.057 0.000 0.889 21 L HN 0.131 nan 8.230 nan 0.000 0.432 22 P HA -0.185 nan 4.420 nan 0.000 0.222 22 P C 1.228 178.467 177.300 -0.102 0.000 1.147 22 P CA 1.428 64.497 63.100 -0.051 0.000 0.790 22 P CB -0.353 31.260 31.700 -0.144 0.000 0.780 23 W N -0.681 120.652 121.300 0.055 0.000 2.425 23 W HA 0.017 4.677 4.660 0.000 0.000 0.277 23 W C 2.335 178.940 176.519 0.143 0.000 1.231 23 W CA 0.432 57.833 57.345 0.094 0.000 1.248 23 W CB -0.993 28.509 29.460 0.071 0.000 1.117 23 W HN -0.168 nan 8.180 nan 0.000 0.568 24 M N -0.124 119.604 119.600 0.214 0.000 2.446 24 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 24 M C 0.369 176.863 176.300 0.322 0.000 1.066 24 M CA 1.441 56.853 55.300 0.188 0.000 1.087 24 M CB -0.934 31.717 32.600 0.086 0.000 1.406 24 M HN -0.016 nan 8.290 nan 0.000 0.459 25 D N -0.370 120.154 120.400 0.208 0.000 2.369 25 D HA 0.110 4.750 4.640 -0.000 0.000 0.211 25 D C 0.214 176.599 176.300 0.141 0.000 1.077 25 D CA 0.164 54.259 54.000 0.158 0.000 0.842 25 D CB 0.304 41.142 40.800 0.063 0.000 0.947 25 D HN 0.256 nan 8.370 nan 0.000 0.509 26 R N 0.954 121.574 120.500 0.201 0.000 2.369 26 R HA 0.387 4.727 4.340 -0.000 0.000 0.310 26 R C 0.608 177.038 176.300 0.216 0.000 1.141 26 R CA -0.077 56.118 56.100 0.158 0.000 1.116 26 R CB 0.635 30.988 30.300 0.088 0.000 1.135 26 R HN -0.044 nan 8.270 nan 0.000 0.529 27 L N 1.031 122.323 121.223 0.115 0.000 2.959 27 L HA 0.171 4.511 4.340 -0.000 0.000 0.259 27 L C 0.601 177.468 176.870 -0.005 0.000 1.185 27 L CA -0.204 54.652 54.840 0.027 0.000 0.998 27 L CB 0.541 42.620 42.059 0.034 0.000 1.337 27 L HN 0.441 nan 8.230 nan 0.000 0.555 28 S N -1.232 114.485 115.700 0.027 0.000 2.593 28 S HA 0.022 4.491 4.470 -0.000 0.000 0.269 28 S C 1.028 175.624 174.600 -0.007 0.000 1.334 28 S CA -0.299 57.906 58.200 0.008 0.000 1.015 28 S CB 1.321 64.534 63.200 0.021 0.000 0.912 28 S HN 0.296 nan 8.310 nan 0.000 0.541 29 Q N 0.744 120.523 119.800 -0.035 0.000 2.112 29 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 29 Q C 2.093 178.069 176.000 -0.040 0.000 0.987 29 Q CA 2.177 57.940 55.803 -0.066 0.000 0.858 29 Q CB -0.201 28.482 28.738 -0.092 0.000 0.905 29 Q HN 1.014 nan 8.270 nan 0.000 0.420 30 E N -0.938 119.261 120.200 -0.002 0.000 2.435 30 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 30 E C 1.347 178.003 176.600 0.094 0.000 1.029 30 E CA 0.440 56.858 56.400 0.029 0.000 0.865 30 E CB 0.149 29.867 29.700 0.030 0.000 0.833 30 E HN 0.392 nan 8.360 nan 0.000 0.510 31 Q N 0.340 120.217 119.800 0.128 0.000 2.378 31 Q HA 0.236 4.576 4.340 -0.000 0.000 0.216 31 Q C 0.426 176.587 176.000 0.268 0.000 0.892 31 Q CA -0.197 55.758 55.803 0.253 0.000 0.931 31 Q CB 0.668 29.588 28.738 0.303 0.000 1.086 31 Q HN 0.289 nan 8.270 nan 0.000 0.528 32 L N 2.309 123.618 121.223 0.143 0.000 2.490 32 L HA 0.028 4.368 4.340 -0.000 0.000 0.274 32 L C 0.171 177.163 176.870 0.204 0.000 1.201 32 L CA 0.181 55.077 54.840 0.094 0.000 0.869 32 L CB 0.172 42.203 42.059 -0.047 0.000 1.123 32 L HN 0.079 nan 8.230 nan 0.000 0.484 33 N N 4.288 123.182 118.700 0.324 0.000 2.594 33 N HA 0.244 4.984 4.740 -0.000 0.000 0.280 33 N C -2.176 173.539 175.510 0.342 0.000 1.156 33 N CA -1.443 51.779 53.050 0.287 0.000 0.831 33 N CB 2.024 40.639 38.487 0.212 0.000 1.379 33 N HN 0.121 nan 8.380 nan 0.000 0.536 34 P HA -0.078 nan 4.420 nan 0.000 0.220 34 P C 1.306 178.711 177.300 0.175 0.000 1.148 34 P CA 0.810 64.020 63.100 0.184 0.000 0.803 34 P CB 0.516 32.225 31.700 0.014 0.000 0.782 35 S N -0.709 115.066 115.700 0.126 0.000 2.383 35 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 35 S C 1.892 176.554 174.600 0.104 0.000 1.026 35 S CA 0.710 58.968 58.200 0.097 0.000 0.981 35 S CB -0.900 62.352 63.200 0.086 0.000 0.818 35 S HN -0.016 nan 8.310 nan 0.000 0.472 36 I N 0.091 120.718 120.570 0.095 0.000 2.226 36 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 36 I C 2.220 178.348 176.117 0.018 0.000 1.100 36 I CA 1.634 62.949 61.300 0.025 0.000 1.374 36 I CB -0.469 37.519 38.000 -0.020 0.000 1.057 36 I HN 0.407 nan 8.210 nan 0.000 0.413 37 Y N 1.260 121.560 120.300 -0.001 0.000 2.145 37 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 37 Y C 2.471 178.378 175.900 0.011 0.000 1.145 37 Y CA 1.758 59.862 58.100 0.007 0.000 1.148 37 Y CB -0.358 38.197 38.460 0.160 0.000 0.981 37 Y HN -0.143 nan 8.280 nan 0.000 0.507 38 V N 0.166 120.144 119.914 0.107 0.000 2.287 38 V HA -0.316 3.803 4.120 -0.000 0.000 0.248 38 V C 2.631 178.717 176.094 -0.013 0.000 1.053 38 V CA 2.010 64.328 62.300 0.030 0.000 1.027 38 V CB -1.629 30.233 31.823 0.065 0.000 0.646 38 V HN 0.653 nan 8.190 nan 0.000 0.447 39 G N -0.510 108.305 108.800 0.023 0.000 2.446 39 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 39 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 39 G C 1.631 176.491 174.900 -0.066 0.000 1.168 39 G CA 1.128 46.234 45.100 0.009 0.000 0.771 39 G HN 0.456 nan 8.290 nan 0.000 0.551 40 L N -0.351 120.794 121.223 -0.131 0.000 2.056 40 L HA -0.001 4.338 4.340 -0.000 0.000 0.207 40 L C 3.202 179.957 176.870 -0.193 0.000 1.078 40 L CA 0.676 55.419 54.840 -0.162 0.000 0.749 40 L CB -0.211 41.729 42.059 -0.198 0.000 0.901 40 L HN 0.055 nan 8.230 nan 0.000 0.433 41 R N 0.179 120.502 120.500 -0.295 0.000 2.096 41 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 41 R C 2.008 178.228 176.300 -0.134 0.000 1.127 41 R CA 1.192 57.137 56.100 -0.258 0.000 0.968 41 R CB -0.777 29.314 30.300 -0.348 0.000 0.861 41 R HN 0.387 nan 8.270 nan 0.000 0.440 42 L N 1.309 122.476 121.223 -0.094 0.000 2.599 42 L HA 0.030 4.370 4.340 -0.000 0.000 0.230 42 L C 1.264 178.100 176.870 -0.057 0.000 1.141 42 L CA -0.053 54.755 54.840 -0.054 0.000 0.877 42 L CB -0.278 41.773 42.059 -0.014 0.000 1.009 42 L HN 0.088 nan 8.230 nan 0.000 0.447 43 S N -1.089 114.570 115.700 -0.069 0.000 2.671 43 S HA 0.143 4.612 4.470 -0.000 0.000 0.272 43 S C 1.149 175.716 174.600 -0.056 0.000 1.174 43 S CA -0.043 58.120 58.200 -0.061 0.000 1.004 43 S CB 1.348 64.510 63.200 -0.063 0.000 1.077 43 S HN 0.188 nan 8.310 nan 0.000 0.553 44 S N -0.404 115.267 115.700 -0.048 0.000 2.577 44 S HA 0.362 4.832 4.470 -0.000 0.000 0.219 44 S C 0.169 174.746 174.600 -0.037 0.000 0.962 44 S CA -0.597 57.579 58.200 -0.040 0.000 0.921 44 S CB -0.888 62.291 63.200 -0.035 0.000 0.789 44 S HN 0.564 nan 8.310 nan 0.000 0.497 45 L N 1.474 122.671 121.223 -0.043 0.000 2.319 45 L HA 0.659 4.999 4.340 -0.000 0.000 0.267 45 L C -0.698 176.144 176.870 -0.046 0.000 1.011 45 L CA -1.067 53.751 54.840 -0.038 0.000 0.818 45 L CB 1.912 43.950 42.059 -0.034 0.000 1.316 45 L HN 0.229 nan 8.230 nan 0.000 0.432 46 Q N 0.614 120.392 119.800 -0.035 0.000 2.345 46 Q HA 0.695 5.035 4.340 -0.000 0.000 0.275 46 Q C -0.960 175.028 176.000 -0.020 0.000 1.063 46 Q CA -0.816 54.965 55.803 -0.036 0.000 0.819 46 Q CB 2.145 30.867 28.738 -0.028 0.000 1.356 46 Q HN 0.601 nan 8.270 nan 0.000 0.418 47 A N 2.067 124.876 122.820 -0.018 0.000 2.640 47 A HA 0.635 4.955 4.320 -0.000 0.000 0.282 47 A C 1.091 178.688 177.584 0.023 0.000 1.357 47 A CA 0.272 52.311 52.037 0.003 0.000 0.946 47 A CB -1.121 17.878 19.000 -0.001 0.000 1.065 47 A HN 1.364 nan 8.150 nan 0.000 0.541 48 G N 0.183 108.995 108.800 0.019 0.000 2.602 48 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.306 48 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.306 48 G C 1.385 176.315 174.900 0.050 0.000 1.301 48 G CA 0.725 45.841 45.100 0.028 0.000 0.974 48 G HN 1.574 nan 8.290 nan 0.000 0.547 49 A N -0.617 122.231 122.820 0.047 0.000 2.125 49 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 49 A C 2.227 179.872 177.584 0.102 0.000 1.156 49 A CA 2.326 54.400 52.037 0.062 0.000 0.671 49 A CB -0.394 18.625 19.000 0.031 0.000 0.794 49 A HN 0.681 nan 8.150 nan 0.000 0.459 50 K N -0.102 120.361 120.400 0.104 0.000 2.147 50 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 50 K C 1.838 178.592 176.600 0.258 0.000 1.049 50 K CA 1.597 57.984 56.287 0.167 0.000 0.936 50 K CB -0.103 32.474 32.500 0.128 0.000 0.722 50 K HN 0.665 nan 8.250 nan 0.000 0.446 51 E N 0.295 120.624 120.200 0.216 0.000 2.028 51 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 51 E C 2.115 178.964 176.600 0.414 0.000 0.988 51 E CA 1.120 57.705 56.400 0.309 0.000 0.799 51 E CB -0.132 29.683 29.700 0.192 0.000 0.755 51 E HN 0.331 nan 8.360 nan 0.000 0.447 52 A N 0.996 123.992 122.820 0.294 0.000 1.933 52 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 52 A C 1.928 179.659 177.584 0.245 0.000 1.175 52 A CA 1.937 54.119 52.037 0.242 0.000 0.628 52 A CB -0.756 18.342 19.000 0.163 0.000 0.814 52 A HN 0.287 nan 8.150 nan 0.000 0.444 53 H N -2.420 116.750 119.070 0.167 0.000 2.353 53 H HA -0.178 4.378 4.556 -0.000 0.000 0.300 53 H C 1.788 177.241 175.328 0.209 0.000 1.090 53 H CA 2.178 58.323 56.048 0.161 0.000 1.327 53 H CB -0.348 29.493 29.762 0.132 0.000 1.383 53 H HN 0.565 nan 8.280 nan 0.000 0.508 54 Y N -0.342 120.056 120.300 0.164 0.000 2.145 54 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 54 Y C 2.351 178.232 175.900 -0.032 0.000 1.145 54 Y CA 1.508 59.667 58.100 0.098 0.000 1.148 54 Y CB -0.383 38.209 38.460 0.220 0.000 0.981 54 Y HN 0.326 nan 8.280 nan 0.000 0.507 55 L N -0.461 120.786 121.223 0.039 0.000 2.046 55 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 55 L C 2.287 179.099 176.870 -0.096 0.000 1.077 55 L CA 2.280 56.972 54.840 -0.246 0.000 0.747 55 L CB -1.022 40.780 42.059 -0.428 0.000 0.896 55 L HN 0.337 nan 8.230 nan 0.000 0.432 56 H N -1.309 117.696 119.070 -0.110 0.000 2.387 56 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 56 H C 2.267 177.506 175.328 -0.149 0.000 1.090 56 H CA 1.912 57.897 56.048 -0.104 0.000 1.332 56 H CB 0.054 29.764 29.762 -0.086 0.000 1.386 56 H HN 0.387 nan 8.280 nan 0.000 0.516 57 S N -0.326 115.264 115.700 -0.183 0.000 2.383 57 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 57 S C 2.251 176.727 174.600 -0.207 0.000 1.026 57 S CA 0.999 59.055 58.200 -0.240 0.000 0.981 57 S CB -0.186 62.834 63.200 -0.300 0.000 0.818 57 S HN 0.330 nan 8.310 nan 0.000 0.472 58 L N 1.268 122.374 121.223 -0.196 0.000 2.012 58 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 58 L C 2.468 179.312 176.870 -0.045 0.000 1.073 58 L CA 1.394 56.190 54.840 -0.073 0.000 0.748 58 L CB -0.491 41.531 42.059 -0.063 0.000 0.891 58 L HN 0.250 nan 8.230 nan 0.000 0.431 59 K N -0.360 120.019 120.400 -0.034 0.000 2.032 59 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 59 K C 2.046 178.552 176.600 -0.156 0.000 1.048 59 K CA 1.340 57.606 56.287 -0.034 0.000 0.927 59 K CB -0.391 32.068 32.500 -0.069 0.000 0.712 59 K HN 0.062 nan 8.250 nan 0.000 0.441 60 L N 1.050 122.136 121.223 -0.228 0.000 2.012 60 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 60 L C 2.489 179.263 176.870 -0.159 0.000 1.073 60 L CA 1.769 56.486 54.840 -0.205 0.000 0.748 60 L CB -0.766 41.161 42.059 -0.219 0.000 0.891 60 L HN 0.118 nan 8.230 nan 0.000 0.431 61 S N -1.929 113.681 115.700 -0.149 0.000 2.338 61 S HA -0.207 4.263 4.470 -0.000 0.000 0.218 61 S C 2.083 176.537 174.600 -0.243 0.000 1.032 61 S CA 1.153 59.249 58.200 -0.172 0.000 0.999 61 S CB -0.543 62.568 63.200 -0.148 0.000 0.905 61 S HN 0.481 nan 8.310 nan 0.000 0.439 62 Y N 1.923 121.990 120.300 -0.388 0.000 2.128 62 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 62 Y C 2.855 178.535 175.900 -0.367 0.000 1.154 62 Y CA 1.960 59.765 58.100 -0.492 0.000 1.149 62 Y CB -0.649 37.199 38.460 -1.020 0.000 0.976 62 Y HN 0.407 nan 8.280 nan 0.000 0.505 63 Q N -0.451 119.239 119.800 -0.183 0.000 2.020 63 Q HA -0.255 4.084 4.340 -0.000 0.000 0.202 63 Q C 2.348 178.283 176.000 -0.109 0.000 0.982 63 Q CA 1.664 57.395 55.803 -0.121 0.000 0.838 63 Q CB -0.285 28.401 28.738 -0.086 0.000 0.899 63 Q HN 0.547 nan 8.270 nan 0.000 0.423 64 Q N -0.205 119.524 119.800 -0.119 0.000 2.096 64 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 64 Q C 2.173 178.105 176.000 -0.112 0.000 0.982 64 Q CA 1.661 57.402 55.803 -0.103 0.000 0.850 64 Q CB 0.103 28.780 28.738 -0.102 0.000 0.901 64 Q HN 0.275 nan 8.270 nan 0.000 0.422 65 S N 0.380 115.988 115.700 -0.154 0.000 2.387 65 S HA -0.027 4.443 4.470 -0.000 0.000 0.226 65 S C 1.784 176.300 174.600 -0.140 0.000 1.026 65 S CA 0.750 58.852 58.200 -0.163 0.000 0.972 65 S CB 0.035 63.092 63.200 -0.239 0.000 0.814 65 S HN 0.288 nan 8.310 nan 0.000 0.477 66 L N 0.472 121.612 121.223 -0.139 0.000 2.477 66 L HA 0.308 4.648 4.340 -0.000 0.000 0.220 66 L C -0.038 176.792 176.870 -0.067 0.000 1.106 66 L CA 0.260 55.038 54.840 -0.102 0.000 0.851 66 L CB -0.049 41.951 42.059 -0.098 0.000 0.994 66 L HN 0.138 nan 8.230 nan 0.000 0.462 67 L N -0.346 120.838 121.223 -0.065 0.000 2.317 67 L HA 0.331 4.671 4.340 -0.000 0.000 0.281 67 L C 1.129 177.975 176.870 -0.041 0.000 1.024 67 L CA -0.931 53.882 54.840 -0.045 0.000 0.810 67 L CB 1.681 43.717 42.059 -0.038 0.000 1.240 67 L HN 0.029 nan 8.230 nan 0.000 0.427 68 R N 2.220 122.702 120.500 -0.030 0.000 2.196 68 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 68 R C -1.475 174.808 176.300 -0.030 0.000 1.113 68 R CA 0.551 56.635 56.100 -0.027 0.000 0.899 68 R CB -2.761 27.528 30.300 -0.019 0.000 0.863 68 R HN 0.436 nan 8.270 nan 0.000 0.430 69 P HA -0.170 nan 4.420 nan 0.000 0.193 69 P C -0.979 176.308 177.300 -0.020 0.000 0.955 69 P CA 1.228 64.315 63.100 -0.023 0.000 0.903 69 P CB -0.519 31.165 31.700 -0.026 0.000 1.019 70 A N 4.177 126.987 122.820 -0.017 0.000 2.462 70 A HA 0.451 4.771 4.320 -0.000 0.000 0.243 70 A C 0.981 178.557 177.584 -0.013 0.000 1.076 70 A CA 0.541 52.570 52.037 -0.014 0.000 0.773 70 A CB -0.121 18.873 19.000 -0.011 0.000 1.010 70 A HN 1.263 nan 8.150 nan 0.000 0.493 71 S N 1.272 116.965 115.700 -0.013 0.000 3.766 71 S HA -0.185 4.285 4.470 -0.000 0.000 0.416 71 S C -0.225 174.367 174.600 -0.014 0.000 0.902 71 S CA 0.709 58.902 58.200 -0.012 0.000 1.283 71 S CB -2.783 60.411 63.200 -0.010 0.000 0.891 71 S HN 1.261 nan 8.310 nan 0.000 0.556 72 N N 1.390 120.080 118.700 -0.016 0.000 2.344 72 N HA 0.352 5.092 4.740 -0.000 0.000 0.236 72 N C 0.992 176.493 175.510 -0.016 0.000 1.279 72 N CA -0.028 53.011 53.050 -0.018 0.000 0.882 72 N CB 0.269 38.743 38.487 -0.022 0.000 1.110 72 N HN 0.509 nan 8.380 nan 0.000 0.436 73 K N 0.040 120.430 120.400 -0.017 0.000 2.103 73 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 73 K C 0.610 177.201 176.600 -0.015 0.000 1.052 73 K CA 1.188 57.466 56.287 -0.015 0.000 0.945 73 K CB -0.040 32.450 32.500 -0.016 0.000 0.722 73 K HN 0.665 nan 8.250 nan 0.000 0.443 74 D N 0.151 120.540 120.400 -0.018 0.000 2.378 74 D HA -0.136 4.504 4.640 -0.000 0.000 0.227 74 D C 0.224 176.515 176.300 -0.015 0.000 1.012 74 D CA 0.492 54.482 54.000 -0.017 0.000 0.905 74 D CB -0.077 40.710 40.800 -0.020 0.000 0.895 74 D HN 0.039 nan 8.370 nan 0.000 0.532 75 D N -0.992 119.400 120.400 -0.014 0.000 2.531 75 D HA -0.209 4.431 4.640 -0.000 0.000 0.176 75 D C 0.260 176.553 176.300 -0.012 0.000 1.217 75 D CA 1.629 55.622 54.000 -0.012 0.000 1.125 75 D CB -1.130 39.664 40.800 -0.010 0.000 1.148 75 D HN 0.351 nan 8.370 nan 0.000 0.430 76 N N -0.375 118.317 118.700 -0.014 0.000 2.737 76 N HA 0.351 5.091 4.740 -0.000 0.000 0.292 76 N C -0.402 175.097 175.510 -0.019 0.000 1.367 76 N CA -0.068 52.973 53.050 -0.014 0.000 0.818 76 N CB 0.377 38.856 38.487 -0.014 0.000 1.109 76 N HN -0.112 nan 8.380 nan 0.000 0.466 77 D N -0.552 119.834 120.400 -0.023 0.000 2.968 77 D HA 0.102 4.742 4.640 -0.000 0.000 0.301 77 D C -1.096 175.183 176.300 -0.035 0.000 1.226 77 D CA -0.190 53.791 54.000 -0.031 0.000 0.746 77 D CB -0.111 40.667 40.800 -0.036 0.000 1.278 77 D HN 0.395 nan 8.370 nan 0.000 0.544 78 S N 0.910 116.592 115.700 -0.030 0.000 3.355 78 S HA 0.083 4.553 4.470 -0.000 0.000 0.293 78 S C 0.890 175.467 174.600 -0.038 0.000 1.197 78 S CA -0.205 57.977 58.200 -0.030 0.000 1.117 78 S CB 0.024 63.209 63.200 -0.025 0.000 1.587 78 S HN 0.540 nan 8.310 nan 0.000 0.536 79 E N 1.367 121.538 120.200 -0.048 0.000 2.653 79 E HA 0.419 4.769 4.350 -0.000 0.000 0.218 79 E C 0.516 177.074 176.600 -0.071 0.000 0.911 79 E CA 0.004 56.369 56.400 -0.059 0.000 1.355 79 E CB -0.115 29.544 29.700 -0.068 0.000 1.314 79 E HN 1.133 nan 8.360 nan 0.000 0.686 80 A N 1.815 124.594 122.820 -0.067 0.000 2.971 80 A HA -0.186 4.133 4.320 -0.000 0.000 0.280 80 A C 0.024 177.539 177.584 -0.115 0.000 1.430 80 A CA 0.917 52.910 52.037 -0.074 0.000 0.749 80 A CB -2.266 16.697 19.000 -0.062 0.000 1.038 80 A HN 0.270 nan 8.150 nan 0.000 0.510 81 K N -0.193 120.135 120.400 -0.121 0.000 2.543 81 K HA 0.129 4.449 4.320 -0.000 0.000 0.279 81 K C -1.943 174.540 176.600 -0.194 0.000 1.001 81 K CA -0.067 56.122 56.287 -0.163 0.000 1.088 81 K CB 0.140 32.568 32.500 -0.120 0.000 0.863 81 K HN 0.408 nan 8.250 nan 0.000 0.488 82 P HA -0.047 nan 4.420 nan 0.000 0.269 82 P C -0.396 176.800 177.300 -0.174 0.000 1.209 82 P CA -0.197 62.719 63.100 -0.307 0.000 0.776 82 P CB 0.732 32.033 31.700 -0.665 0.000 0.876 83 S N 2.059 117.688 115.700 -0.118 0.000 2.634 83 S HA 0.184 4.654 4.470 -0.000 0.000 0.261 83 S C 1.328 175.831 174.600 -0.161 0.000 1.271 83 S CA -0.532 57.596 58.200 -0.121 0.000 0.985 83 S CB 0.219 63.355 63.200 -0.107 0.000 0.968 83 S HN 0.217 nan 8.310 nan 0.000 0.568 84 M N 0.998 120.414 119.600 -0.307 0.000 2.229 84 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 84 M C 2.324 178.334 176.300 -0.483 0.000 1.063 84 M CA 1.667 56.675 55.300 -0.487 0.000 1.114 84 M CB -2.173 29.869 32.600 -0.931 0.000 1.387 84 M HN 0.965 nan 8.290 nan 0.000 0.420 85 G N -0.112 108.418 108.800 -0.451 0.000 2.422 85 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 85 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 85 G C 1.506 176.364 174.900 -0.070 0.000 1.146 85 G CA 0.413 45.387 45.100 -0.210 0.000 0.769 85 G HN 0.501 nan 8.290 nan 0.000 0.547 86 Q N -0.651 119.134 119.800 -0.026 0.000 2.119 86 Q HA 0.007 4.347 4.340 -0.000 0.000 0.201 86 Q C 2.423 178.541 176.000 0.196 0.000 0.972 86 Q CA 0.884 56.752 55.803 0.108 0.000 0.847 86 Q CB -0.228 28.600 28.738 0.149 0.000 0.903 86 Q HN 0.434 nan 8.270 nan 0.000 0.433 87 L N 0.680 121.994 121.223 0.152 0.000 2.083 87 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 87 L C 2.111 179.012 176.870 0.052 0.000 1.083 87 L CA 1.995 56.928 54.840 0.153 0.000 0.752 87 L CB -0.785 41.325 42.059 0.085 0.000 0.899 87 L HN 0.121 nan 8.230 nan 0.000 0.433 88 A N -0.288 122.520 122.820 -0.021 0.000 1.883 88 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 88 A C 2.271 179.815 177.584 -0.067 0.000 1.186 88 A CA 2.153 54.163 52.037 -0.045 0.000 0.624 88 A CB -1.007 17.957 19.000 -0.060 0.000 0.822 88 A HN 0.511 nan 8.150 nan 0.000 0.444 89 L N -2.059 119.127 121.223 -0.062 0.000 2.083 89 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 89 L C 2.561 179.363 176.870 -0.113 0.000 1.083 89 L CA 1.683 56.465 54.840 -0.096 0.000 0.752 89 L CB -0.637 41.397 42.059 -0.043 0.000 0.899 89 L HN 0.614 nan 8.230 nan 0.000 0.433 90 Y N 0.473 120.590 120.300 -0.305 0.000 2.165 90 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 90 Y C 2.242 177.998 175.900 -0.239 0.000 1.155 90 Y CA 1.535 59.362 58.100 -0.455 0.000 1.164 90 Y CB -0.191 37.738 38.460 -0.885 0.000 0.978 90 Y HN -0.019 nan 8.280 nan 0.000 0.513 91 L N -0.036 121.025 121.223 -0.271 0.000 2.083 91 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 91 L C 2.426 179.270 176.870 -0.042 0.000 1.083 91 L CA 1.518 56.232 54.840 -0.210 0.000 0.752 91 L CB -0.939 41.054 42.059 -0.111 0.000 0.899 91 L HN 0.320 nan 8.230 nan 0.000 0.433 92 L N -1.338 119.814 121.223 -0.119 0.000 2.046 92 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 92 L C 2.686 179.490 176.870 -0.110 0.000 1.077 92 L CA 1.237 55.991 54.840 -0.143 0.000 0.747 92 L CB -1.019 40.888 42.059 -0.254 0.000 0.896 92 L HN 0.293 nan 8.230 nan 0.000 0.432 93 A N 0.451 123.201 122.820 -0.116 0.000 1.908 93 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 93 A C 2.283 179.816 177.584 -0.086 0.000 1.181 93 A CA 1.462 53.496 52.037 -0.005 0.000 0.627 93 A CB -0.687 18.247 19.000 -0.110 0.000 0.818 93 A HN 0.361 nan 8.150 nan 0.000 0.445 94 L N -1.281 119.779 121.223 -0.273 0.000 2.012 94 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 94 L C 2.862 179.653 176.870 -0.132 0.000 1.073 94 L CA 1.224 55.940 54.840 -0.206 0.000 0.748 94 L CB -0.552 41.383 42.059 -0.207 0.000 0.891 94 L HN 0.251 nan 8.230 nan 0.000 0.431 95 R N 0.286 120.673 120.500 -0.188 0.000 2.096 95 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 95 R C 2.276 178.469 176.300 -0.178 0.000 1.127 95 R CA 1.414 57.321 56.100 -0.322 0.000 0.968 95 R CB -1.052 29.007 30.300 -0.402 0.000 0.861 95 R HN 0.368 nan 8.270 nan 0.000 0.440 96 A N 0.881 123.662 122.820 -0.064 0.000 2.019 96 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 96 A C 1.747 179.354 177.584 0.038 0.000 1.164 96 A CA 1.575 53.611 52.037 -0.002 0.000 0.644 96 A CB -0.434 18.599 19.000 0.055 0.000 0.805 96 A HN 0.293 nan 8.150 nan 0.000 0.449 97 N N -1.272 117.480 118.700 0.087 0.000 2.313 97 N HA 0.068 4.808 4.740 -0.000 0.000 0.207 97 N C -0.044 175.460 175.510 -0.011 0.000 1.141 97 N CA 0.461 53.561 53.050 0.084 0.000 0.830 97 N CB -0.869 37.693 38.487 0.124 0.000 1.008 97 N HN 0.344 nan 8.380 nan 0.000 0.481 98 c N 0.852 119.402 118.600 -0.084 0.000 4.365 98 c HA -0.175 4.395 4.570 -0.000 0.000 0.299 98 c C -0.205 173.790 174.090 -0.158 0.000 1.409 98 c CA 0.309 56.553 56.329 -0.141 0.000 2.007 98 c CB -2.602 39.864 42.510 -0.074 0.000 1.264 98 c HN 0.478 nan 8.230 nan 0.000 0.777 99 E N -1.131 118.960 120.200 -0.182 0.000 2.207 99 E HA 0.699 5.049 4.350 -0.000 0.000 0.270 99 E C -0.432 176.033 176.600 -0.225 0.000 0.927 99 E CA -0.636 55.696 56.400 -0.114 0.000 0.799 99 E CB 1.086 30.771 29.700 -0.025 0.000 1.172 99 E HN 0.290 nan 8.360 nan 0.000 0.404 100 F N 1.305 121.295 119.950 0.067 0.000 2.399 100 F HA 0.323 4.850 4.527 -0.000 0.000 0.334 100 F C 0.575 176.471 175.800 0.160 0.000 1.097 100 F CA -0.871 57.238 58.000 0.182 0.000 1.076 100 F CB 0.802 39.870 39.000 0.114 0.000 1.162 100 F HN 0.364 nan 8.300 nan 0.000 0.495 101 I N 2.383 123.155 120.570 0.336 0.000 2.683 101 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 101 I C 0.328 176.497 176.117 0.086 0.000 1.175 101 I CA 0.973 62.283 61.300 0.017 0.000 1.429 101 I CB -0.280 37.531 38.000 -0.315 0.000 1.371 101 I HN 0.632 nan 8.210 nan 0.000 0.569 102 G N 3.851 112.686 108.800 0.058 0.000 2.682 102 G HA2 0.628 4.588 3.960 -0.000 0.000 0.290 102 G HA3 0.628 4.588 3.960 -0.000 0.000 0.290 102 G C -0.490 174.432 174.900 0.035 0.000 1.425 102 G CA -0.264 44.869 45.100 0.055 0.000 0.807 102 G HN 1.212 nan 8.290 nan 0.000 0.482 103 G N -0.539 108.278 108.800 0.028 0.000 2.750 103 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.228 103 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.228 103 G C 0.875 175.784 174.900 0.015 0.000 1.367 103 G CA 0.515 45.627 45.100 0.021 0.000 0.871 103 G HN 0.866 nan 8.290 nan 0.000 0.560 104 R N -0.031 120.476 120.500 0.012 0.000 2.073 104 R HA 0.031 4.371 4.340 -0.000 0.000 0.229 104 R C 2.743 179.048 176.300 0.008 0.000 1.120 104 R CA 1.611 57.716 56.100 0.008 0.000 0.967 104 R CB -0.203 30.100 30.300 0.006 0.000 0.862 104 R HN 0.562 nan 8.270 nan 0.000 0.436 105 K N 0.024 120.430 120.400 0.010 0.000 2.026 105 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 105 K C 2.209 178.819 176.600 0.016 0.000 1.048 105 K CA 1.385 57.678 56.287 0.009 0.000 0.929 105 K CB -0.309 32.197 32.500 0.010 0.000 0.713 105 K HN 0.270 nan 8.250 nan 0.000 0.439 106 G N 1.839 110.651 108.800 0.020 0.000 2.446 106 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 106 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 106 G C 1.017 175.917 174.900 0.001 0.000 1.168 106 G CA 1.220 46.328 45.100 0.014 0.000 0.771 106 G HN 0.205 nan 8.290 nan 0.000 0.551 107 D N 0.258 120.661 120.400 0.005 0.000 2.144 107 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 107 D C 2.649 178.952 176.300 0.005 0.000 0.984 107 D CA 0.490 54.492 54.000 0.004 0.000 0.834 107 D CB -0.215 40.588 40.800 0.006 0.000 0.955 107 D HN 0.264 nan 8.370 nan 0.000 0.465 108 R N 0.095 120.598 120.500 0.006 0.000 2.081 108 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 108 R C 2.514 178.818 176.300 0.008 0.000 1.131 108 R CA 0.591 56.694 56.100 0.005 0.000 0.960 108 R CB -0.310 29.991 30.300 0.002 0.000 0.856 108 R HN 0.238 nan 8.270 nan 0.000 0.436 109 L N 0.119 121.348 121.223 0.010 0.000 2.056 109 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 109 L C 2.430 179.306 176.870 0.011 0.000 1.078 109 L CA 0.888 55.739 54.840 0.018 0.000 0.749 109 L CB -0.477 41.608 42.059 0.044 0.000 0.901 109 L HN 0.015 nan 8.230 nan 0.000 0.433 110 V N -0.597 119.316 119.914 -0.003 0.000 2.287 110 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 110 V C 2.600 178.703 176.094 0.015 0.000 1.053 110 V CA 2.167 64.464 62.300 -0.005 0.000 1.027 110 V CB -0.502 31.314 31.823 -0.013 0.000 0.646 110 V HN 0.397 nan 8.190 nan 0.000 0.447 111 S N -0.727 114.983 115.700 0.016 0.000 2.368 111 S HA -0.269 4.200 4.470 -0.000 0.000 0.225 111 S C 1.967 176.587 174.600 0.033 0.000 1.030 111 S CA 1.573 59.786 58.200 0.022 0.000 0.999 111 S CB -0.331 62.879 63.200 0.017 0.000 0.844 111 S HN 0.680 nan 8.310 nan 0.000 0.459 112 Q N 0.096 119.915 119.800 0.032 0.000 2.124 112 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 112 Q C 2.204 178.251 176.000 0.078 0.000 0.977 112 Q CA 0.954 56.784 55.803 0.045 0.000 0.850 112 Q CB -0.299 28.454 28.738 0.025 0.000 0.901 112 Q HN 0.342 nan 8.270 nan 0.000 0.429 113 L N 1.273 122.533 121.223 0.062 0.000 2.056 113 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 113 L C 1.849 178.799 176.870 0.133 0.000 1.078 113 L CA 1.803 56.698 54.840 0.093 0.000 0.749 113 L CB -0.261 41.823 42.059 0.041 0.000 0.901 113 L HN -0.014 nan 8.230 nan 0.000 0.433 114 K N -0.864 119.581 120.400 0.075 0.000 2.097 114 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 114 K C 2.283 178.915 176.600 0.054 0.000 1.049 114 K CA 1.507 57.826 56.287 0.053 0.000 0.933 114 K CB -0.220 32.302 32.500 0.037 0.000 0.717 114 K HN 0.280 nan 8.250 nan 0.000 0.442 115 R N 0.465 121.007 120.500 0.070 0.000 2.075 115 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 115 R C 2.219 178.571 176.300 0.087 0.000 1.126 115 R CA 1.290 57.427 56.100 0.062 0.000 0.963 115 R CB -0.343 29.994 30.300 0.061 0.000 0.858 115 R HN 0.138 nan 8.270 nan 0.000 0.435 116 F N 1.614 121.562 119.950 -0.003 0.000 2.063 116 F HA -0.266 4.261 4.527 0.000 0.000 0.298 116 F C 1.777 177.583 175.800 0.009 0.000 1.109 116 F CA 1.804 59.806 58.000 0.004 0.000 1.212 116 F CB -0.419 38.581 39.000 0.001 0.000 0.973 116 F HN 0.006 nan 8.300 nan 0.000 0.480 117 L N -0.260 120.887 121.223 -0.126 0.000 2.056 117 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 117 L C 2.453 179.235 176.870 -0.145 0.000 1.078 117 L CA 1.687 56.357 54.840 -0.284 0.000 0.749 117 L CB -0.811 41.105 42.059 -0.239 0.000 0.901 117 L HN 0.143 nan 8.230 nan 0.000 0.433 118 E N 0.422 120.579 120.200 -0.072 0.000 2.077 118 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 118 E C 1.753 178.321 176.600 -0.053 0.000 0.989 118 E CA 1.356 57.734 56.400 -0.036 0.000 0.800 118 E CB 0.004 29.691 29.700 -0.021 0.000 0.746 118 E HN 0.349 nan 8.360 nan 0.000 0.452 119 D N 0.207 120.557 120.400 -0.083 0.000 2.117 119 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 119 D C 1.738 177.957 176.300 -0.135 0.000 0.987 119 D CA 0.863 54.808 54.000 -0.091 0.000 0.829 119 D CB -0.104 40.652 40.800 -0.073 0.000 0.961 119 D HN 0.235 nan 8.370 nan 0.000 0.460 120 E N 0.799 120.864 120.200 -0.226 0.000 2.072 120 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 120 E C 1.984 178.535 176.600 -0.081 0.000 0.985 120 E CA 0.511 56.794 56.400 -0.196 0.000 0.801 120 E CB -0.173 29.369 29.700 -0.262 0.000 0.750 120 E HN 0.338 nan 8.360 nan 0.000 0.452 121 K N 1.030 121.459 120.400 0.049 0.000 2.063 121 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 121 K C 2.117 178.688 176.600 -0.048 0.000 1.048 121 K CA 1.226 57.537 56.287 0.041 0.000 0.928 121 K CB 0.056 32.619 32.500 0.105 0.000 0.713 121 K HN -0.036 nan 8.250 nan 0.000 0.442 122 R N -0.295 120.175 120.500 -0.049 0.000 2.115 122 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 122 R C 2.372 178.633 176.300 -0.065 0.000 1.100 122 R CA 0.860 56.930 56.100 -0.050 0.000 0.980 122 R CB -0.221 30.056 30.300 -0.038 0.000 0.875 122 R HN 0.238 nan 8.270 nan 0.000 0.445 123 A N 1.421 124.188 122.820 -0.089 0.000 1.940 123 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 123 A C 2.109 179.615 177.584 -0.131 0.000 1.176 123 A CA 1.253 53.227 52.037 -0.105 0.000 0.631 123 A CB -0.400 18.526 19.000 -0.123 0.000 0.814 123 A HN 0.163 nan 8.150 nan 0.000 0.446 124 I N -1.328 119.144 120.570 -0.164 0.000 2.233 124 I HA 0.134 4.304 4.170 -0.000 0.000 0.243 124 I C 1.601 177.536 176.117 -0.303 0.000 1.093 124 I CA 0.933 62.111 61.300 -0.204 0.000 1.380 124 I CB -0.733 37.146 38.000 -0.201 0.000 1.067 124 I HN 0.571 nan 8.210 nan 0.000 0.413 125 G N 0.627 109.288 108.800 -0.231 0.000 2.725 125 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 125 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 125 G C 0.731 175.424 174.900 -0.345 0.000 1.357 125 G CA 0.123 45.103 45.100 -0.201 0.000 0.866 125 G HN 0.574 nan 8.290 nan 0.000 0.548 126 H N -0.092 118.934 119.070 -0.073 0.000 2.193 126 H HA -0.339 4.217 4.556 -0.000 0.000 0.232 126 H C 1.537 176.776 175.328 -0.149 0.000 1.191 126 H CA 2.790 58.789 56.048 -0.081 0.000 1.335 126 H CB -0.399 29.333 29.762 -0.050 0.000 1.653 126 H HN 1.367 nan 8.280 nan 0.000 0.631 127 N N -2.182 116.163 118.700 -0.592 0.000 2.459 127 N HA -0.143 4.597 4.740 -0.000 0.000 0.334 127 N C 0.863 176.060 175.510 -0.522 0.000 1.428 127 N CA 0.660 53.328 53.050 -0.638 0.000 2.732 127 N CB -0.514 37.450 38.487 -0.872 0.000 1.877 127 N HN 0.635 nan 8.380 nan 0.000 1.133 128 H N 0.764 119.578 119.070 -0.426 0.000 3.399 128 H HA 0.163 4.719 4.556 0.000 0.000 0.163 128 H C -0.051 175.264 175.328 -0.022 0.000 1.476 128 H CA 0.455 56.472 56.048 -0.052 0.000 1.604 128 H CB 0.094 29.972 29.762 0.194 0.000 1.259 128 H HN -0.018 nan 8.280 nan 0.000 0.784 129 Q N 1.543 121.202 119.800 -0.234 0.000 2.244 129 Q HA 0.200 4.540 4.340 -0.000 0.000 0.276 129 Q C -1.060 174.885 176.000 -0.092 0.000 1.122 129 Q CA 0.609 56.249 55.803 -0.271 0.000 0.920 129 Q CB -0.191 28.418 28.738 -0.215 0.000 1.186 129 Q HN 0.813 nan 8.270 nan 0.000 0.393 130 G N 4.382 113.071 108.800 -0.186 0.000 2.146 130 G HA2 0.112 4.072 3.960 -0.000 0.000 0.261 130 G HA3 0.112 4.072 3.960 -0.000 0.000 0.261 130 G C -1.666 173.187 174.900 -0.079 0.000 1.745 130 G CA -0.892 44.091 45.100 -0.195 0.000 0.905 130 G HN 0.789 nan 8.290 nan 0.000 0.746 131 H N 1.751 120.729 119.070 -0.152 0.000 2.567 131 H HA 0.601 5.157 4.556 -0.000 0.000 0.345 131 H C -2.145 173.031 175.328 -0.253 0.000 1.169 131 H CA -2.204 53.733 56.048 -0.185 0.000 1.227 131 H CB 1.948 31.605 29.762 -0.176 0.000 1.607 131 H HN 0.327 nan 8.280 nan 0.000 0.534 132 P HA -0.063 nan 4.420 nan 0.000 0.268 132 P C 0.715 177.947 177.300 -0.114 0.000 1.208 132 P CA 0.043 62.979 63.100 -0.273 0.000 0.777 132 P CB 0.972 32.415 31.700 -0.428 0.000 0.875 133 R N 1.334 121.787 120.500 -0.078 0.000 2.096 133 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 133 R C 1.313 177.650 176.300 0.061 0.000 1.127 133 R CA 2.338 58.434 56.100 -0.007 0.000 0.968 133 R CB -0.488 29.821 30.300 0.016 0.000 0.861 133 R HN 0.686 nan 8.270 nan 0.000 0.440 134 T N -2.316 112.300 114.554 0.103 0.000 3.440 134 T HA 0.175 4.525 4.350 -0.000 0.000 0.209 134 T C 0.770 175.557 174.700 0.145 0.000 0.906 134 T CA 0.240 62.444 62.100 0.172 0.000 1.757 134 T CB -0.062 68.985 68.868 0.298 0.000 1.568 134 T HN 0.320 nan 8.240 nan 0.000 0.454 135 S N -0.936 114.846 115.700 0.137 0.000 2.587 135 S HA 0.466 4.936 4.470 -0.000 0.000 0.269 135 S C -0.215 174.429 174.600 0.072 0.000 1.154 135 S CA -0.881 57.392 58.200 0.123 0.000 0.824 135 S CB 0.471 63.809 63.200 0.229 0.000 1.118 135 S HN 0.292 nan 8.310 nan 0.000 0.462 136 Y N 0.056 120.449 120.300 0.155 0.000 2.421 136 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 136 Y C 2.150 178.183 175.900 0.221 0.000 1.136 136 Y CA 1.615 59.802 58.100 0.145 0.000 1.255 136 Y CB -0.556 37.947 38.460 0.071 0.000 0.991 136 Y HN 0.874 nan 8.280 nan 0.000 0.552 137 Y N 0.946 121.390 120.300 0.239 0.000 2.097 137 Y HA -0.339 4.211 4.550 -0.000 0.000 0.282 137 Y C 2.333 178.339 175.900 0.177 0.000 1.152 137 Y CA 2.074 60.276 58.100 0.170 0.000 1.136 137 Y CB -0.368 38.160 38.460 0.112 0.000 0.975 137 Y HN 0.129 nan 8.280 nan 0.000 0.498 138 Q N -1.656 118.379 119.800 0.393 0.000 2.167 138 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 138 Q C 2.017 178.220 176.000 0.338 0.000 0.970 138 Q CA 1.554 57.549 55.803 0.320 0.000 0.855 138 Q CB -0.408 28.542 28.738 0.352 0.000 0.911 138 Q HN 0.638 nan 8.270 nan 0.000 0.438 139 Y N 1.107 121.534 120.300 0.211 0.000 2.145 139 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 139 Y C 2.487 178.449 175.900 0.104 0.000 1.145 139 Y CA 1.799 59.995 58.100 0.159 0.000 1.148 139 Y CB -0.065 38.449 38.460 0.088 0.000 0.981 139 Y HN 0.002 nan 8.280 nan 0.000 0.507 140 S N 0.142 115.974 115.700 0.220 0.000 2.356 140 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 140 S C 1.882 176.432 174.600 -0.083 0.000 1.032 140 S CA 1.377 59.586 58.200 0.014 0.000 1.005 140 S CB -0.776 62.379 63.200 -0.075 0.000 0.867 140 S HN 0.434 nan 8.310 nan 0.000 0.449 141 L N 2.230 123.384 121.223 -0.115 0.000 2.042 141 L HA -0.004 4.335 4.340 -0.000 0.000 0.210 141 L C 2.254 179.089 176.870 -0.059 0.000 1.076 141 L CA 2.056 56.819 54.840 -0.127 0.000 0.749 141 L CB -1.417 40.557 42.059 -0.142 0.000 0.893 141 L HN 0.301 nan 8.230 nan 0.000 0.432 142 G N -0.142 108.657 108.800 -0.002 0.000 2.459 142 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 142 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 142 G C 1.644 176.526 174.900 -0.030 0.000 1.183 142 G CA 1.312 46.419 45.100 0.011 0.000 0.776 142 G HN 0.487 nan 8.290 nan 0.000 0.552 143 I N 0.175 120.700 120.570 -0.074 0.000 2.179 143 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 143 I C 2.604 178.709 176.117 -0.020 0.000 1.088 143 I CA 0.730 61.996 61.300 -0.057 0.000 1.357 143 I CB -0.271 37.692 38.000 -0.062 0.000 1.051 143 I HN 0.192 nan 8.210 nan 0.000 0.409 144 L N 1.300 122.501 121.223 -0.037 0.000 2.042 144 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 144 L C 2.520 179.384 176.870 -0.011 0.000 1.076 144 L CA 2.217 57.041 54.840 -0.027 0.000 0.749 144 L CB -0.745 41.284 42.059 -0.051 0.000 0.893 144 L HN 0.182 nan 8.230 nan 0.000 0.432 145 A N -0.687 122.122 122.820 -0.018 0.000 1.930 145 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 145 A C 2.249 179.891 177.584 0.096 0.000 1.175 145 A CA 1.753 53.800 52.037 0.015 0.000 0.627 145 A CB -0.818 18.171 19.000 -0.018 0.000 0.815 145 A HN 0.509 nan 8.150 nan 0.000 0.443 146 L N -0.986 120.273 121.223 0.061 0.000 2.056 146 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 146 L C 2.817 179.755 176.870 0.114 0.000 1.078 146 L CA 1.342 56.233 54.840 0.085 0.000 0.749 146 L CB -0.680 41.407 42.059 0.045 0.000 0.901 146 L HN 0.651 nan 8.230 nan 0.000 0.433 147 c N 0.032 118.677 118.600 0.074 0.000 2.413 147 c HA -0.126 4.444 4.570 -0.000 0.000 0.276 147 c C 2.891 177.027 174.090 0.077 0.000 1.248 147 c CA 1.120 57.491 56.329 0.070 0.000 1.742 147 c CB -0.603 41.937 42.510 0.050 0.000 2.017 147 c HN 0.508 nan 8.230 nan 0.000 0.481 148 V N -1.566 118.376 119.914 0.047 0.000 2.913 148 V HA -0.077 4.043 4.120 -0.000 0.000 0.260 148 V C 2.034 178.086 176.094 -0.069 0.000 1.098 148 V CA 2.109 64.392 62.300 -0.028 0.000 1.121 148 V CB -1.332 30.428 31.823 -0.106 0.000 0.714 148 V HN 0.703 nan 8.190 nan 0.000 0.487 149 H N 0.456 119.592 119.070 0.109 0.000 2.526 149 H HA 0.227 4.783 4.556 -0.000 0.000 0.274 149 H C 0.479 175.968 175.328 0.268 0.000 0.999 149 H CA 0.494 56.701 56.048 0.265 0.000 1.157 149 H CB 0.294 30.154 29.762 0.162 0.000 1.407 149 H HN 0.516 nan 8.280 nan 0.000 0.568 150 Q N 0.431 120.375 119.800 0.240 0.000 2.475 150 Q HA -0.170 4.170 4.340 -0.000 0.000 0.280 150 Q C -0.446 175.606 176.000 0.087 0.000 1.234 150 Q CA 0.742 56.619 55.803 0.123 0.000 0.873 150 Q CB -1.254 27.518 28.738 0.056 0.000 1.256 150 Q HN 0.415 nan 8.270 nan 0.000 0.475 151 K N 0.729 121.195 120.400 0.110 0.000 2.185 151 K HA 0.456 4.776 4.320 -0.000 0.000 0.269 151 K C 0.390 177.023 176.600 0.056 0.000 0.987 151 K CA -0.575 55.756 56.287 0.072 0.000 0.865 151 K CB 1.842 34.386 32.500 0.074 0.000 1.090 151 K HN 0.118 nan 8.250 nan 0.000 0.450 152 R N 1.553 122.077 120.500 0.040 0.000 2.428 152 R HA 0.371 4.711 4.340 -0.000 0.000 0.294 152 R C -0.167 176.157 176.300 0.039 0.000 1.000 152 R CA -0.584 55.537 56.100 0.035 0.000 0.960 152 R CB 1.152 31.466 30.300 0.023 0.000 1.076 152 R HN 0.499 nan 8.270 nan 0.000 0.475 153 V N 0.358 120.296 119.914 0.041 0.000 2.881 153 V HA 0.374 4.494 4.120 -0.000 0.000 0.316 153 V C 0.202 176.342 176.094 0.077 0.000 1.070 153 V CA -0.964 61.370 62.300 0.057 0.000 0.976 153 V CB 1.537 33.382 31.823 0.037 0.000 1.038 153 V HN 0.778 nan 8.190 nan 0.000 0.446 154 H N 1.451 120.534 119.070 0.023 0.000 2.871 154 H HA 0.056 4.612 4.556 -0.000 0.000 0.355 154 H C 0.603 175.956 175.328 0.043 0.000 1.092 154 H CA 0.932 56.998 56.048 0.029 0.000 1.420 154 H CB 1.380 31.158 29.762 0.026 0.000 1.400 154 H HN 0.934 nan 8.280 nan 0.000 0.604 155 D N 2.261 122.455 120.400 -0.344 0.000 2.149 155 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 155 D C 2.157 178.541 176.300 0.139 0.000 1.001 155 D CA 2.129 56.065 54.000 -0.107 0.000 0.849 155 D CB -0.242 40.431 40.800 -0.210 0.000 0.939 155 D HN 0.647 nan 8.370 nan 0.000 0.449 156 S N -0.313 115.644 115.700 0.429 0.000 2.399 156 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 156 S C 2.197 176.932 174.600 0.224 0.000 1.022 156 S CA 0.968 59.346 58.200 0.297 0.000 0.983 156 S CB -0.591 62.750 63.200 0.234 0.000 0.803 156 S HN 0.128 nan 8.310 nan 0.000 0.480 157 V N 1.732 121.790 119.914 0.239 0.000 2.270 157 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 157 V C 2.695 178.963 176.094 0.289 0.000 1.043 157 V CA 1.668 64.104 62.300 0.227 0.000 1.014 157 V CB -0.785 31.105 31.823 0.112 0.000 0.645 157 V HN 0.477 nan 8.190 nan 0.000 0.447 158 V N 1.078 121.123 119.914 0.219 0.000 2.490 158 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 158 V C 2.657 178.916 176.094 0.275 0.000 1.061 158 V CA 1.995 64.448 62.300 0.256 0.000 1.064 158 V CB -1.531 30.403 31.823 0.184 0.000 0.670 158 V HN 0.617 nan 8.190 nan 0.000 0.461 159 G N 0.185 109.111 108.800 0.209 0.000 2.469 159 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 159 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 159 G C 1.641 176.658 174.900 0.194 0.000 1.136 159 G CA 0.700 45.904 45.100 0.173 0.000 0.759 159 G HN 0.407 nan 8.290 nan 0.000 0.562 160 K N -0.178 120.346 120.400 0.207 0.000 2.097 160 K HA 0.034 4.354 4.320 -0.000 0.000 0.205 160 K C 2.358 179.082 176.600 0.206 0.000 1.050 160 K CA 0.507 56.886 56.287 0.153 0.000 0.938 160 K CB -0.602 31.936 32.500 0.065 0.000 0.718 160 K HN 0.355 nan 8.250 nan 0.000 0.442 161 L N 1.341 122.761 121.223 0.328 0.000 2.056 161 L HA -0.060 4.279 4.340 -0.000 0.000 0.207 161 L C 2.138 179.208 176.870 0.333 0.000 1.078 161 L CA 1.268 56.314 54.840 0.343 0.000 0.749 161 L CB -0.519 41.852 42.059 0.520 0.000 0.901 161 L HN 0.035 nan 8.230 nan 0.000 0.433 162 L N -1.880 119.542 121.223 0.332 0.000 2.012 162 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 162 L C 2.513 179.473 176.870 0.150 0.000 1.073 162 L CA 1.813 56.755 54.840 0.170 0.000 0.748 162 L CB -0.866 41.228 42.059 0.059 0.000 0.891 162 L HN 0.307 nan 8.230 nan 0.000 0.431 163 Y N 0.521 120.851 120.300 0.049 0.000 2.165 163 Y HA -0.319 4.231 4.550 -0.000 0.000 0.286 163 Y C 2.483 178.392 175.900 0.015 0.000 1.155 163 Y CA 1.428 59.534 58.100 0.010 0.000 1.164 163 Y CB -0.282 38.128 38.460 -0.082 0.000 0.978 163 Y HN 0.137 nan 8.280 nan 0.000 0.513 164 A N -0.920 121.977 122.820 0.127 0.000 1.902 164 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 164 A C 2.350 179.894 177.584 -0.067 0.000 1.181 164 A CA 2.008 53.980 52.037 -0.108 0.000 0.623 164 A CB -1.290 17.302 19.000 -0.680 0.000 0.818 164 A HN 0.333 nan 8.150 nan 0.000 0.443 165 V N -0.146 119.775 119.914 0.012 0.000 2.358 165 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 165 V C 2.430 178.522 176.094 -0.004 0.000 1.047 165 V CA 2.320 64.655 62.300 0.059 0.000 1.035 165 V CB -0.750 31.184 31.823 0.185 0.000 0.658 165 V HN 0.652 nan 8.190 nan 0.000 0.452 166 E N -1.061 119.127 120.200 -0.019 0.000 2.028 166 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 166 E C 0.553 177.059 176.600 -0.157 0.000 0.988 166 E CA 0.852 57.210 56.400 -0.069 0.000 0.799 166 E CB -0.042 29.675 29.700 0.029 0.000 0.755 166 E HN 0.619 nan 8.360 nan 0.000 0.447 167 H N 0.857 119.726 119.070 -0.335 0.000 2.705 167 H HA 0.252 4.808 4.556 -0.000 0.000 0.291 167 H C -0.629 174.609 175.328 -0.150 0.000 1.085 167 H CA -0.198 55.641 56.048 -0.349 0.000 1.357 167 H CB 0.377 29.688 29.762 -0.753 0.000 1.419 167 H HN -0.011 nan 8.280 nan 0.000 0.462 168 K N 1.339 121.679 120.400 -0.099 0.000 1.004 168 K HA -0.158 4.162 4.320 -0.000 0.000 0.819 168 K C -2.572 174.031 176.600 0.004 0.000 2.144 168 K CA -0.222 56.047 56.287 -0.030 0.000 1.464 168 K CB -1.271 31.251 32.500 0.037 0.000 2.730 168 K HN 0.497 nan 8.250 nan 0.000 0.209 169 P HA -0.156 nan 4.420 nan 0.000 0.262 169 P C -0.412 176.962 177.300 0.123 0.000 1.151 169 P CA 0.797 63.933 63.100 0.060 0.000 0.757 169 P CB 0.118 31.855 31.700 0.063 0.000 0.754 170 H N 2.383 121.464 119.070 0.019 0.000 3.173 170 H HA -0.130 4.426 4.556 -0.000 0.000 0.311 170 H C 1.205 176.551 175.328 0.029 0.000 0.972 170 H CA -0.617 55.442 56.048 0.019 0.000 1.384 170 H CB 0.579 30.357 29.762 0.026 0.000 1.349 170 H HN 0.316 nan 8.280 nan 0.000 0.582 171 L N 5.148 126.485 121.223 0.191 0.000 2.056 171 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 171 L C 0.386 177.173 176.870 -0.139 0.000 1.078 171 L CA 1.286 56.140 54.840 0.023 0.000 0.749 171 L CB -0.542 41.523 42.059 0.010 0.000 0.901 171 L HN 0.500 nan 8.230 nan 0.000 0.433 172 L N 0.370 121.307 121.223 -0.477 0.000 2.367 172 L HA 0.157 4.497 4.340 -0.000 0.000 0.275 172 L C 0.739 177.431 176.870 -0.297 0.000 1.129 172 L CA 0.433 55.014 54.840 -0.430 0.000 0.839 172 L CB 0.314 42.035 42.059 -0.563 0.000 1.133 172 L HN 0.260 nan 8.230 nan 0.000 0.453 173 Q N 1.462 121.230 119.800 -0.054 0.000 2.306 173 Q HA 0.007 4.347 4.340 -0.000 0.000 0.241 173 Q C 0.567 176.599 176.000 0.053 0.000 0.948 173 Q CA -0.517 55.313 55.803 0.045 0.000 0.886 173 Q CB 1.124 29.968 28.738 0.178 0.000 1.227 173 Q HN 0.532 nan 8.270 nan 0.000 0.457 174 D N 0.764 121.213 120.400 0.082 0.000 2.149 174 D HA -0.247 4.393 4.640 -0.000 0.000 0.194 174 D C 1.637 177.986 176.300 0.082 0.000 1.001 174 D CA 1.682 55.734 54.000 0.087 0.000 0.849 174 D CB 0.146 41.007 40.800 0.101 0.000 0.939 174 D HN 0.631 nan 8.370 nan 0.000 0.449 175 H N -0.285 118.787 119.070 0.003 0.000 2.353 175 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 175 H C 1.937 177.236 175.328 -0.049 0.000 1.090 175 H CA 2.592 58.613 56.048 -0.045 0.000 1.327 175 H CB -0.056 29.623 29.762 -0.137 0.000 1.383 175 H HN 0.121 nan 8.280 nan 0.000 0.508 176 V N -2.491 117.374 119.914 -0.083 0.000 3.506 176 V HA 0.075 4.195 4.120 -0.000 0.000 0.263 176 V C 2.240 178.326 176.094 -0.013 0.000 1.203 176 V CA 0.940 63.182 62.300 -0.096 0.000 1.133 176 V CB -0.195 31.660 31.823 0.053 0.000 0.802 176 V HN 0.382 nan 8.190 nan 0.000 0.459 177 S N 1.112 116.815 115.700 0.005 0.000 2.363 177 S HA -0.187 4.283 4.470 -0.000 0.000 0.218 177 S C 1.922 176.591 174.600 0.116 0.000 1.035 177 S CA 2.383 60.620 58.200 0.062 0.000 1.043 177 S CB -0.422 62.825 63.200 0.080 0.000 0.986 177 S HN 0.494 nan 8.310 nan 0.000 0.423 178 V N 2.206 122.183 119.914 0.104 0.000 2.324 178 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 178 V C 2.033 178.192 176.094 0.109 0.000 1.060 178 V CA 2.509 64.874 62.300 0.108 0.000 1.042 178 V CB -1.174 30.726 31.823 0.128 0.000 0.650 178 V HN 0.543 nan 8.190 nan 0.000 0.450 179 D N -0.473 119.993 120.400 0.109 0.000 2.144 179 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 179 D C 2.196 178.681 176.300 0.307 0.000 0.984 179 D CA 1.692 55.807 54.000 0.192 0.000 0.834 179 D CB -0.403 40.465 40.800 0.113 0.000 0.955 179 D HN 0.383 nan 8.370 nan 0.000 0.465 180 T N 0.428 115.145 114.554 0.272 0.000 2.812 180 T HA -0.048 4.302 4.350 -0.000 0.000 0.264 180 T C 1.976 176.750 174.700 0.123 0.000 1.042 180 T CA 0.726 62.988 62.100 0.270 0.000 1.140 180 T CB -0.101 68.918 68.868 0.252 0.000 0.870 180 T HN 0.129 nan 8.240 nan 0.000 0.445 181 M N 1.229 120.897 119.600 0.114 0.000 2.108 181 M HA -0.056 4.424 4.480 -0.000 0.000 0.261 181 M C 2.837 179.145 176.300 0.013 0.000 1.066 181 M CA 1.575 56.916 55.300 0.070 0.000 1.107 181 M CB -0.876 31.774 32.600 0.083 0.000 1.356 181 M HN 0.303 nan 8.290 nan 0.000 0.406 182 A N 0.137 122.971 122.820 0.024 0.000 1.898 182 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 182 A C 2.172 179.731 177.584 -0.041 0.000 1.181 182 A CA 1.675 53.707 52.037 -0.008 0.000 0.620 182 A CB -0.550 18.463 19.000 0.021 0.000 0.819 182 A HN 0.429 nan 8.150 nan 0.000 0.442 183 M N 0.190 119.758 119.600 -0.053 0.000 2.132 183 M HA 0.032 4.512 4.480 -0.000 0.000 0.263 183 M C 2.173 178.350 176.300 -0.206 0.000 1.065 183 M CA 1.619 56.827 55.300 -0.153 0.000 1.122 183 M CB -0.661 31.701 32.600 -0.398 0.000 1.365 183 M HN 0.373 nan 8.290 nan 0.000 0.411 184 A N -0.389 122.298 122.820 -0.222 0.000 1.883 184 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 184 A C 2.368 179.527 177.584 -0.709 0.000 1.186 184 A CA 1.966 53.720 52.037 -0.472 0.000 0.624 184 A CB -1.888 16.908 19.000 -0.340 0.000 0.822 184 A HN 0.610 nan 8.150 nan 0.000 0.444 185 G N -0.827 107.798 108.800 -0.292 0.000 2.440 185 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 185 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 185 G C 1.652 176.509 174.900 -0.071 0.000 1.154 185 G CA 1.273 46.325 45.100 -0.080 0.000 0.767 185 G HN 0.475 nan 8.290 nan 0.000 0.552 186 M N 0.597 120.140 119.600 -0.095 0.000 2.175 186 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 186 M C 3.073 179.347 176.300 -0.043 0.000 1.063 186 M CA 1.166 56.444 55.300 -0.037 0.000 1.119 186 M CB -0.218 32.381 32.600 -0.002 0.000 1.377 186 M HN 0.336 nan 8.290 nan 0.000 0.415 187 A N 0.617 123.354 122.820 -0.137 0.000 1.883 187 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 187 A C 1.777 179.373 177.584 0.019 0.000 1.186 187 A CA 1.588 53.562 52.037 -0.105 0.000 0.624 187 A CB -0.931 17.956 19.000 -0.189 0.000 0.822 187 A HN 0.374 nan 8.150 nan 0.000 0.444 188 F N 0.378 120.348 119.950 0.034 0.000 2.095 188 F HA -0.142 4.385 4.527 0.000 0.000 0.298 188 F C 2.989 178.801 175.800 0.020 0.000 1.104 188 F CA 0.971 58.988 58.000 0.029 0.000 1.232 188 F CB -1.251 37.764 39.000 0.025 0.000 0.987 188 F HN 0.281 nan 8.300 nan 0.000 0.475 189 S N -0.720 115.100 115.700 0.200 0.000 2.353 189 S HA -0.265 4.205 4.470 -0.000 0.000 0.222 189 S C 2.502 177.152 174.600 0.083 0.000 1.035 189 S CA 1.669 59.937 58.200 0.112 0.000 1.025 189 S CB -1.034 62.208 63.200 0.071 0.000 0.902 189 S HN 0.547 nan 8.310 nan 0.000 0.440 190 c N 1.380 120.022 118.600 0.070 0.000 2.413 190 c HA -0.039 4.531 4.570 -0.000 0.000 0.276 190 c C 2.558 176.688 174.090 0.067 0.000 1.236 190 c CA 1.252 57.615 56.329 0.057 0.000 1.735 190 c CB -1.797 40.739 42.510 0.043 0.000 2.031 190 c HN 0.707 nan 8.230 nan 0.000 0.474 191 L N 0.546 121.824 121.223 0.091 0.000 2.042 191 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 191 L C 2.699 179.611 176.870 0.070 0.000 1.076 191 L CA 2.352 57.246 54.840 0.090 0.000 0.749 191 L CB -0.947 41.191 42.059 0.132 0.000 0.893 191 L HN 0.529 nan 8.230 nan 0.000 0.432 192 E N 0.654 120.899 120.200 0.075 0.000 2.031 192 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 192 E C 2.364 178.986 176.600 0.037 0.000 0.994 192 E CA 1.190 57.618 56.400 0.048 0.000 0.800 192 E CB -0.086 29.643 29.700 0.048 0.000 0.752 192 E HN 0.408 nan 8.360 nan 0.000 0.447 193 L N 0.350 121.597 121.223 0.040 0.000 2.131 193 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 193 L C 2.353 179.241 176.870 0.030 0.000 1.092 193 L CA 1.079 55.937 54.840 0.031 0.000 0.759 193 L CB -0.051 42.027 42.059 0.031 0.000 0.903 193 L HN 0.091 nan 8.230 nan 0.000 0.435 194 S N -1.237 114.484 115.700 0.036 0.000 2.524 194 S HA 0.006 4.476 4.470 -0.000 0.000 0.216 194 S C 0.671 175.287 174.600 0.027 0.000 0.987 194 S CA 0.031 58.252 58.200 0.034 0.000 0.909 194 S CB -0.087 63.139 63.200 0.043 0.000 0.781 194 S HN 0.495 nan 8.310 nan 0.000 0.521 195 N N 0.796 119.511 118.700 0.026 0.000 2.725 195 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 195 N C 0.327 175.846 175.510 0.016 0.000 1.031 195 N CA 0.248 53.309 53.050 0.018 0.000 0.720 195 N CB -1.752 36.742 38.487 0.011 0.000 0.930 195 N HN 0.395 nan 8.380 nan 0.000 0.543 196 L N -1.263 119.974 121.223 0.024 0.000 2.270 196 L HA 0.068 4.408 4.340 -0.000 0.000 0.210 196 L C 0.174 177.050 176.870 0.009 0.000 1.104 196 L CA 0.782 55.635 54.840 0.020 0.000 0.804 196 L CB -0.050 42.029 42.059 0.033 0.000 0.937 196 L HN 0.286 nan 8.230 nan 0.000 0.450 197 N N -0.404 118.302 118.700 0.011 0.000 2.813 197 N HA 0.129 4.869 4.740 -0.000 0.000 0.282 197 N C -1.947 173.558 175.510 -0.009 0.000 1.748 197 N CA -0.967 52.080 53.050 -0.005 0.000 0.860 197 N CB 0.734 39.225 38.487 0.006 0.000 1.204 197 N HN -0.061 nan 8.380 nan 0.000 0.490 198 P HA -0.203 nan 4.420 nan 0.000 0.219 198 P C 0.605 177.897 177.300 -0.015 0.000 1.146 198 P CA 1.168 64.261 63.100 -0.010 0.000 0.808 198 P CB 0.407 32.101 31.700 -0.010 0.000 0.779 199 K N -0.448 119.939 120.400 -0.021 0.000 2.439 199 K HA -0.043 4.277 4.320 -0.000 0.000 0.197 199 K C 1.709 178.299 176.600 -0.017 0.000 1.041 199 K CA 0.739 57.014 56.287 -0.020 0.000 0.970 199 K CB 0.025 32.508 32.500 -0.029 0.000 0.773 199 K HN 0.311 nan 8.250 nan 0.000 0.479 200 Q N -0.130 119.659 119.800 -0.018 0.000 2.194 200 Q HA 0.075 4.415 4.340 -0.000 0.000 0.214 200 Q C 1.508 177.489 176.000 -0.032 0.000 0.838 200 Q CA -0.108 55.683 55.803 -0.020 0.000 0.972 200 Q CB 0.789 29.521 28.738 -0.011 0.000 1.131 200 Q HN 0.243 nan 8.270 nan 0.000 0.498 201 R N 1.690 122.176 120.500 -0.024 0.000 2.113 201 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 201 R C 1.020 177.296 176.300 -0.040 0.000 1.142 201 R CA 2.365 58.450 56.100 -0.025 0.000 0.953 201 R CB 0.153 30.444 30.300 -0.015 0.000 0.860 201 R HN 0.236 nan 8.270 nan 0.000 0.438 202 N N -0.104 118.574 118.700 -0.037 0.000 2.171 202 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 202 N C 1.787 177.258 175.510 -0.065 0.000 1.021 202 N CA 1.153 54.177 53.050 -0.043 0.000 0.854 202 N CB -0.296 38.173 38.487 -0.030 0.000 0.994 202 N HN 0.212 nan 8.380 nan 0.000 0.426 203 R N 0.641 121.099 120.500 -0.069 0.000 2.081 203 R HA 0.032 4.372 4.340 -0.000 0.000 0.235 203 R C 1.874 178.061 176.300 -0.188 0.000 1.131 203 R CA 1.060 57.101 56.100 -0.097 0.000 0.960 203 R CB -0.272 29.988 30.300 -0.066 0.000 0.856 203 R HN 0.224 nan 8.270 nan 0.000 0.436 204 I N 0.799 121.250 120.570 -0.198 0.000 2.179 204 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 204 I C 2.291 178.260 176.117 -0.247 0.000 1.088 204 I CA 1.068 62.179 61.300 -0.315 0.000 1.357 204 I CB -0.448 37.457 38.000 -0.160 0.000 1.051 204 I HN 0.282 nan 8.210 nan 0.000 0.409 205 N N 0.754 119.377 118.700 -0.127 0.000 2.094 205 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 205 N C 1.849 177.304 175.510 -0.091 0.000 1.023 205 N CA 1.514 54.515 53.050 -0.080 0.000 0.857 205 N CB -0.087 38.370 38.487 -0.051 0.000 1.013 205 N HN 0.148 nan 8.380 nan 0.000 0.426 206 L N 1.204 122.361 121.223 -0.110 0.000 2.109 206 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 206 L C 2.387 179.185 176.870 -0.120 0.000 1.086 206 L CA 1.155 55.936 54.840 -0.098 0.000 0.760 206 L CB -1.225 40.780 42.059 -0.089 0.000 0.910 206 L HN 0.075 nan 8.230 nan 0.000 0.437 207 A N -0.988 121.706 122.820 -0.211 0.000 1.933 207 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 207 A C 2.353 179.888 177.584 -0.082 0.000 1.175 207 A CA 1.509 53.398 52.037 -0.248 0.000 0.628 207 A CB -0.703 17.896 19.000 -0.669 0.000 0.814 207 A HN 0.380 nan 8.150 nan 0.000 0.444 208 L N -0.820 120.363 121.223 -0.066 0.000 2.046 208 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 208 L C 2.650 179.540 176.870 0.033 0.000 1.077 208 L CA 2.013 56.901 54.840 0.080 0.000 0.747 208 L CB -0.305 41.792 42.059 0.064 0.000 0.896 208 L HN 0.482 nan 8.230 nan 0.000 0.432 209 K N 0.135 120.528 120.400 -0.012 0.000 2.057 209 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 209 K C 2.270 178.855 176.600 -0.025 0.000 1.049 209 K CA 1.350 57.624 56.287 -0.021 0.000 0.931 209 K CB -0.176 32.305 32.500 -0.032 0.000 0.714 209 K HN 0.015 nan 8.250 nan 0.000 0.440 210 R N 0.117 120.599 120.500 -0.029 0.000 2.075 210 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 210 R C 2.045 178.331 176.300 -0.023 0.000 1.126 210 R CA 1.410 57.487 56.100 -0.038 0.000 0.963 210 R CB -0.275 29.994 30.300 -0.051 0.000 0.858 210 R HN 0.137 nan 8.270 nan 0.000 0.435 211 V N 1.191 121.121 119.914 0.027 0.000 2.343 211 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 211 V C 2.558 178.641 176.094 -0.020 0.000 1.051 211 V CA 2.059 64.380 62.300 0.036 0.000 1.036 211 V CB -0.558 31.334 31.823 0.114 0.000 0.654 211 V HN 0.460 nan 8.190 nan 0.000 0.451 212 Q N -0.158 119.626 119.800 -0.027 0.000 2.061 212 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 212 Q C 2.231 178.187 176.000 -0.072 0.000 0.984 212 Q CA 2.252 58.015 55.803 -0.068 0.000 0.846 212 Q CB -0.120 28.589 28.738 -0.050 0.000 0.902 212 Q HN 0.729 nan 8.270 nan 0.000 0.421 213 E N 0.007 120.177 120.200 -0.050 0.000 2.058 213 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 213 E C 2.099 178.671 176.600 -0.047 0.000 0.997 213 E CA 1.306 57.680 56.400 -0.044 0.000 0.801 213 E CB 0.097 29.770 29.700 -0.046 0.000 0.746 213 E HN 0.278 nan 8.360 nan 0.000 0.450 214 K N 0.405 120.766 120.400 -0.064 0.000 2.097 214 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 214 K C 2.228 178.813 176.600 -0.025 0.000 1.050 214 K CA 0.854 57.099 56.287 -0.069 0.000 0.938 214 K CB -0.210 32.214 32.500 -0.126 0.000 0.718 214 K HN 0.215 nan 8.250 nan 0.000 0.442 215 I N 1.575 122.109 120.570 -0.059 0.000 2.179 215 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 215 I C 2.424 178.512 176.117 -0.048 0.000 1.088 215 I CA 1.181 62.417 61.300 -0.106 0.000 1.357 215 I CB -0.380 37.449 38.000 -0.286 0.000 1.051 215 I HN 0.070 nan 8.210 nan 0.000 0.409 216 L N 0.786 121.975 121.223 -0.056 0.000 2.042 216 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 216 L C 2.695 179.652 176.870 0.146 0.000 1.076 216 L CA 1.523 56.427 54.840 0.107 0.000 0.749 216 L CB -0.873 41.221 42.059 0.058 0.000 0.893 216 L HN 0.336 nan 8.230 nan 0.000 0.432 217 K N 1.141 121.585 120.400 0.074 0.000 2.152 217 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 217 K C 1.704 178.364 176.600 0.101 0.000 1.048 217 K CA 1.643 57.970 56.287 0.067 0.000 0.933 217 K CB -0.006 32.509 32.500 0.025 0.000 0.721 217 K HN 0.297 nan 8.250 nan 0.000 0.447 218 A N 1.174 124.078 122.820 0.141 0.000 2.251 218 A HA -0.013 4.307 4.320 -0.000 0.000 0.209 218 A C 0.829 178.540 177.584 0.212 0.000 1.187 218 A CA -0.114 52.023 52.037 0.168 0.000 0.823 218 A CB -0.228 18.876 19.000 0.174 0.000 0.846 218 A HN 0.532 nan 8.150 nan 0.000 0.486 219 Q N 1.538 121.486 119.800 0.246 0.000 2.300 219 Q HA 0.247 4.587 4.340 -0.000 0.000 0.280 219 Q C 0.454 176.486 176.000 0.053 0.000 1.033 219 Q CA 0.396 56.288 55.803 0.148 0.000 0.903 219 Q CB 0.495 29.294 28.738 0.102 0.000 1.195 219 Q HN 0.521 nan 8.270 nan 0.000 0.386 220 T N 0.910 115.470 114.554 0.011 0.000 2.874 220 T HA 0.340 4.690 4.350 -0.000 0.000 0.281 220 T C -1.896 172.766 174.700 -0.064 0.000 0.994 220 T CA -1.700 60.404 62.100 0.007 0.000 1.015 220 T CB 0.907 69.814 68.868 0.064 0.000 1.028 220 T HN 0.467 nan 8.240 nan 0.000 0.523 221 P HA -0.042 nan 4.420 nan 0.000 0.219 221 P C 0.935 178.152 177.300 -0.138 0.000 1.146 221 P CA 0.921 63.977 63.100 -0.073 0.000 0.808 221 P CB -0.013 31.663 31.700 -0.040 0.000 0.779 222 E N -1.443 118.636 120.200 -0.201 0.000 2.274 222 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 222 E C 1.652 177.937 176.600 -0.525 0.000 0.996 222 E CA 1.165 57.337 56.400 -0.380 0.000 0.840 222 E CB -0.776 28.596 29.700 -0.546 0.000 0.772 222 E HN 0.245 nan 8.360 nan 0.000 0.491 223 G N -1.003 107.532 108.800 -0.443 0.000 2.184 223 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 223 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 223 G C -0.390 174.210 174.900 -0.500 0.000 0.995 223 G CA -0.295 44.548 45.100 -0.429 0.000 0.651 223 G HN 0.138 nan 8.290 nan 0.000 0.511 224 Y N 0.158 120.316 120.300 -0.237 0.000 2.397 224 Y HA 0.567 5.117 4.550 -0.000 0.000 0.335 224 Y C 0.756 176.495 175.900 -0.267 0.000 1.213 224 Y CA -0.991 56.968 58.100 -0.234 0.000 1.391 224 Y CB 0.185 38.589 38.460 -0.093 0.000 1.293 224 Y HN 0.041 nan 8.280 nan 0.000 0.557 225 F N 2.213 122.274 119.950 0.186 0.000 2.423 225 F HA 0.417 4.944 4.527 0.000 0.000 0.356 225 F C 1.175 177.041 175.800 0.111 0.000 1.170 225 F CA 0.122 58.192 58.000 0.117 0.000 1.163 225 F CB 0.163 39.214 39.000 0.085 0.000 1.318 225 F HN 0.802 nan 8.300 nan 0.000 0.569 226 G N 2.972 111.927 108.800 0.259 0.000 5.353 226 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.283 226 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.283 226 G C 0.048 175.026 174.900 0.130 0.000 1.457 226 G CA 0.428 45.630 45.100 0.170 0.000 0.951 226 G HN 0.873 nan 8.290 nan 0.000 0.731 227 N N -1.549 117.201 118.700 0.084 0.000 2.972 227 N HA 0.572 5.312 4.740 -0.000 0.000 0.262 227 N C 0.651 175.994 175.510 -0.279 0.000 1.478 227 N CA 0.502 53.513 53.050 -0.064 0.000 0.841 227 N CB 1.160 39.615 38.487 -0.054 0.000 1.512 227 N HN 1.006 nan 8.380 nan 0.000 0.548 228 V N -0.092 119.317 119.914 -0.841 0.000 2.392 228 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 228 V C 1.104 176.953 176.094 -0.408 0.000 1.059 228 V CA 1.722 63.459 62.300 -0.939 0.000 1.051 228 V CB -0.935 30.125 31.823 -1.272 0.000 0.658 228 V HN 0.616 nan 8.190 nan 0.000 0.455 229 Y N 0.823 121.012 120.300 -0.185 0.000 2.516 229 Y HA -0.003 4.547 4.550 -0.000 0.000 0.291 229 Y C 2.630 178.550 175.900 0.033 0.000 1.131 229 Y CA 1.126 59.178 58.100 -0.080 0.000 1.281 229 Y CB -0.449 37.901 38.460 -0.183 0.000 1.013 229 Y HN 0.409 nan 8.280 nan 0.000 0.554 230 S N -2.071 113.713 115.700 0.139 0.000 2.524 230 S HA -0.057 4.413 4.470 -0.000 0.000 0.216 230 S C 1.825 176.538 174.600 0.188 0.000 0.987 230 S CA 0.758 59.045 58.200 0.144 0.000 0.909 230 S CB -0.468 62.798 63.200 0.110 0.000 0.781 230 S HN 0.343 nan 8.310 nan 0.000 0.521 231 T N 3.639 118.315 114.554 0.204 0.000 2.746 231 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 231 T C -0.730 174.099 174.700 0.214 0.000 1.039 231 T CA 1.398 63.659 62.100 0.268 0.000 1.142 231 T CB -1.390 67.616 68.868 0.230 0.000 0.866 231 T HN 0.366 nan 8.240 nan 0.000 0.444 232 P HA 0.012 nan 4.420 nan 0.000 0.215 232 P C 1.660 178.985 177.300 0.041 0.000 1.157 232 P CA 0.783 63.930 63.100 0.077 0.000 0.863 232 P CB -0.181 31.558 31.700 0.064 0.000 0.787 233 L N -0.920 120.342 121.223 0.064 0.000 2.013 233 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 233 L C 2.453 179.331 176.870 0.013 0.000 1.073 233 L CA 1.879 56.734 54.840 0.026 0.000 0.753 233 L CB -1.207 40.910 42.059 0.097 0.000 0.890 233 L HN -0.020 nan 8.230 nan 0.000 0.432 234 A N -0.098 122.755 122.820 0.056 0.000 1.908 234 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 234 A C 2.208 179.771 177.584 -0.035 0.000 1.181 234 A CA 1.516 53.542 52.037 -0.019 0.000 0.627 234 A CB -0.671 18.325 19.000 -0.007 0.000 0.818 234 A HN 0.396 nan 8.150 nan 0.000 0.445 235 L N -0.969 120.294 121.223 0.065 0.000 2.156 235 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 235 L C 2.845 179.706 176.870 -0.015 0.000 1.095 235 L CA 1.106 55.979 54.840 0.054 0.000 0.770 235 L CB -0.530 41.587 42.059 0.097 0.000 0.914 235 L HN 0.488 nan 8.230 nan 0.000 0.439 236 Q N -0.212 119.557 119.800 -0.052 0.000 2.112 236 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 236 Q C 2.325 178.279 176.000 -0.076 0.000 0.987 236 Q CA 1.533 57.275 55.803 -0.102 0.000 0.858 236 Q CB -0.134 28.485 28.738 -0.200 0.000 0.905 236 Q HN 0.504 nan 8.270 nan 0.000 0.420 237 L N 0.445 121.628 121.223 -0.066 0.000 2.023 237 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 237 L C 2.099 178.940 176.870 -0.049 0.000 1.073 237 L CA 1.285 56.093 54.840 -0.053 0.000 0.745 237 L CB -0.296 41.728 42.059 -0.058 0.000 0.900 237 L HN 0.298 nan 8.230 nan 0.000 0.435 238 L N -0.090 121.094 121.223 -0.065 0.000 2.275 238 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 238 L C 2.736 179.591 176.870 -0.025 0.000 1.119 238 L CA 1.034 55.838 54.840 -0.060 0.000 0.790 238 L CB -0.388 41.613 42.059 -0.096 0.000 0.919 238 L HN 0.448 nan 8.230 nan 0.000 0.443 239 M N -0.966 118.623 119.600 -0.019 0.000 2.549 239 M HA 0.063 4.543 4.480 -0.000 0.000 0.260 239 M C 1.500 177.793 176.300 -0.012 0.000 1.076 239 M CA 1.567 56.860 55.300 -0.011 0.000 1.090 239 M CB -0.673 31.918 32.600 -0.016 0.000 1.418 239 M HN 0.064 nan 8.290 nan 0.000 0.486 240 G N 0.795 109.587 108.800 -0.014 0.000 3.340 240 G HA2 0.294 4.253 3.960 -0.000 0.000 0.240 240 G HA3 0.294 4.253 3.960 -0.000 0.000 0.240 240 G C 0.391 175.289 174.900 -0.002 0.000 1.327 240 G CA 0.295 45.391 45.100 -0.006 0.000 1.170 240 G HN 0.584 nan 8.290 nan 0.000 0.520 241 S N -0.985 114.713 115.700 -0.004 0.000 3.917 241 S HA -0.321 4.149 4.470 -0.000 0.000 0.601 241 S C 1.267 175.866 174.600 -0.002 0.000 2.206 241 S CA 1.132 59.331 58.200 -0.002 0.000 4.167 241 S CB -1.008 62.191 63.200 -0.000 0.000 0.372 241 S HN 1.126 nan 8.310 nan 0.000 0.766 242 L N -2.163 119.060 121.223 0.000 0.000 3.852 242 L HA -0.201 4.139 4.340 -0.000 0.000 0.159 242 L C -0.303 176.566 176.870 -0.002 0.000 4.150 242 L CA 1.475 56.316 54.840 0.001 0.000 1.032 242 L CB -0.649 41.412 42.059 0.004 0.000 3.397 242 L HN 0.707 nan 8.230 nan 0.000 0.978 243 R N 1.606 122.104 120.500 -0.005 0.000 2.587 243 R HA 0.354 4.694 4.340 -0.000 0.000 0.283 243 R C -2.460 173.837 176.300 -0.005 0.000 1.472 243 R CA -1.310 54.786 56.100 -0.006 0.000 1.578 243 R CB 0.949 31.243 30.300 -0.010 0.000 1.130 243 R HN 0.187 nan 8.270 nan 0.000 0.602 244 P HA 0.064 nan 4.420 nan 0.000 0.284 244 P C -0.301 177.000 177.300 0.002 0.000 1.343 244 P CA -0.031 63.070 63.100 0.001 0.000 0.826 244 P CB 1.234 32.935 31.700 0.001 0.000 0.956 245 S N 1.548 117.251 115.700 0.004 0.000 2.664 245 S HA 0.347 4.817 4.470 -0.000 0.000 0.304 245 S C 1.141 175.747 174.600 0.010 0.000 1.099 245 S CA -0.744 57.459 58.200 0.005 0.000 1.003 245 S CB 1.121 64.323 63.200 0.004 0.000 1.092 245 S HN 0.040 nan 8.310 nan 0.000 0.525 246 V N 1.401 121.320 119.914 0.009 0.000 2.427 246 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 246 V C 2.482 178.587 176.094 0.018 0.000 1.051 246 V CA 2.144 64.451 62.300 0.012 0.000 1.048 246 V CB -1.288 30.540 31.823 0.008 0.000 0.666 246 V HN 0.885 nan 8.190 nan 0.000 0.456 247 E N 0.122 120.333 120.200 0.019 0.000 2.058 247 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 247 E C 1.973 178.600 176.600 0.045 0.000 0.997 247 E CA 1.333 57.750 56.400 0.028 0.000 0.801 247 E CB -0.472 29.242 29.700 0.024 0.000 0.746 247 E HN 0.428 nan 8.360 nan 0.000 0.450 248 L N 0.408 121.655 121.223 0.039 0.000 2.017 248 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 248 L C 2.120 179.030 176.870 0.066 0.000 1.073 248 L CA 2.389 57.259 54.840 0.051 0.000 0.745 248 L CB -1.107 40.965 42.059 0.022 0.000 0.894 248 L HN 0.186 nan 8.230 nan 0.000 0.432 249 G N -1.774 107.052 108.800 0.043 0.000 2.446 249 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 249 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 249 G C 1.431 176.357 174.900 0.043 0.000 1.168 249 G CA 1.319 46.442 45.100 0.039 0.000 0.771 249 G HN 0.449 nan 8.290 nan 0.000 0.551 250 T N 1.703 116.279 114.554 0.037 0.000 2.746 250 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 250 T C 2.805 177.528 174.700 0.038 0.000 1.039 250 T CA 1.599 63.715 62.100 0.027 0.000 1.142 250 T CB -0.408 68.471 68.868 0.019 0.000 0.866 250 T HN 0.392 nan 8.240 nan 0.000 0.444 251 A N 0.589 123.460 122.820 0.084 0.000 1.902 251 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 251 A C 2.713 180.389 177.584 0.154 0.000 1.181 251 A CA 1.519 53.640 52.037 0.140 0.000 0.623 251 A CB -1.327 17.852 19.000 0.299 0.000 0.818 251 A HN 0.625 nan 8.150 nan 0.000 0.443 252 c N -0.790 117.926 118.600 0.193 0.000 2.440 252 c HA -0.016 4.553 4.570 -0.000 0.000 0.278 252 c C 2.639 176.767 174.090 0.063 0.000 1.295 252 c CA 0.877 57.312 56.329 0.178 0.000 1.738 252 c CB -1.453 41.143 42.510 0.144 0.000 1.987 252 c HN 0.624 nan 8.230 nan 0.000 0.492 253 L N 0.517 121.758 121.223 0.030 0.000 2.042 253 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 253 L C 2.650 179.497 176.870 -0.038 0.000 1.076 253 L CA 1.641 56.480 54.840 -0.002 0.000 0.749 253 L CB -0.643 41.414 42.059 -0.004 0.000 0.893 253 L HN 0.411 nan 8.230 nan 0.000 0.432 254 K N -0.181 120.180 120.400 -0.065 0.000 2.097 254 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 254 K C 2.199 178.687 176.600 -0.186 0.000 1.050 254 K CA 1.325 57.538 56.287 -0.124 0.000 0.938 254 K CB -0.170 32.245 32.500 -0.142 0.000 0.718 254 K HN 0.284 nan 8.250 nan 0.000 0.442 255 A N 1.842 124.528 122.820 -0.222 0.000 1.897 255 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 255 A C 1.873 179.403 177.584 -0.089 0.000 1.181 255 A CA 1.250 53.121 52.037 -0.277 0.000 0.620 255 A CB -0.193 18.529 19.000 -0.464 0.000 0.821 255 A HN 0.149 nan 8.150 nan 0.000 0.443 256 K N -0.072 120.307 120.400 -0.034 0.000 2.057 256 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 256 K C 2.321 178.908 176.600 -0.021 0.000 1.049 256 K CA 1.170 57.453 56.287 -0.008 0.000 0.931 256 K CB -0.366 32.135 32.500 0.001 0.000 0.714 256 K HN 0.424 nan 8.250 nan 0.000 0.440 257 A N 1.690 124.485 122.820 -0.042 0.000 1.908 257 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 257 A C 2.407 179.965 177.584 -0.044 0.000 1.181 257 A CA 2.023 54.034 52.037 -0.044 0.000 0.627 257 A CB -0.729 18.236 19.000 -0.057 0.000 0.818 257 A HN 0.355 nan 8.150 nan 0.000 0.445 258 A N -0.816 121.951 122.820 -0.089 0.000 1.898 258 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 258 A C 2.123 179.774 177.584 0.111 0.000 1.181 258 A CA 1.687 53.657 52.037 -0.112 0.000 0.620 258 A CB -0.587 18.163 19.000 -0.416 0.000 0.819 258 A HN 0.602 nan 8.150 nan 0.000 0.442 259 L N -0.206 121.087 121.223 0.118 0.000 2.046 259 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 259 L C 2.513 179.435 176.870 0.086 0.000 1.077 259 L CA 2.050 56.979 54.840 0.148 0.000 0.747 259 L CB -0.713 41.394 42.059 0.081 0.000 0.896 259 L HN 0.418 nan 8.230 nan 0.000 0.432 260 Q N -0.531 119.290 119.800 0.035 0.000 2.050 260 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 260 Q C 2.259 178.275 176.000 0.027 0.000 0.980 260 Q CA 1.784 57.593 55.803 0.010 0.000 0.840 260 Q CB -0.544 28.189 28.738 -0.009 0.000 0.898 260 Q HN 0.660 nan 8.270 nan 0.000 0.424 261 A N 1.448 124.299 122.820 0.052 0.000 1.908 261 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 261 A C 2.372 180.062 177.584 0.177 0.000 1.181 261 A CA 2.191 54.279 52.037 0.085 0.000 0.627 261 A CB -0.703 18.355 19.000 0.097 0.000 0.818 261 A HN 0.490 nan 8.150 nan 0.000 0.445 262 S N -0.721 115.116 115.700 0.228 0.000 2.402 262 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 262 S C 1.699 176.441 174.600 0.237 0.000 1.021 262 S CA 1.424 59.802 58.200 0.297 0.000 0.974 262 S CB -0.412 62.948 63.200 0.266 0.000 0.800 262 S HN 0.209 nan 8.310 nan 0.000 0.484 263 L N 1.576 122.883 121.223 0.139 0.000 2.275 263 L HA 0.125 4.465 4.340 -0.000 0.000 0.215 263 L C 2.511 179.381 176.870 -0.001 0.000 1.119 263 L CA 1.315 56.204 54.840 0.082 0.000 0.790 263 L CB -1.364 40.694 42.059 -0.001 0.000 0.919 263 L HN 0.362 nan 8.230 nan 0.000 0.443 264 Q N -0.907 118.823 119.800 -0.117 0.000 2.500 264 Q HA -0.111 4.229 4.340 -0.000 0.000 0.213 264 Q C 0.656 176.396 176.000 -0.434 0.000 0.974 264 Q CA 0.897 56.515 55.803 -0.308 0.000 0.918 264 Q CB -0.380 28.090 28.738 -0.446 0.000 0.980 264 Q HN 0.638 nan 8.270 nan 0.000 0.505 265 H N -0.097 119.007 119.070 0.057 0.000 2.510 265 H HA 0.194 4.750 4.556 -0.000 0.000 0.266 265 H C -0.257 175.108 175.328 0.061 0.000 1.146 265 H CA -0.415 55.664 56.048 0.051 0.000 0.993 265 H CB 0.418 30.208 29.762 0.045 0.000 1.727 265 H HN 0.034 nan 8.280 nan 0.000 0.590 266 K N -0.821 119.662 120.400 0.139 0.000 3.012 266 K HA -0.255 4.065 4.320 -0.000 0.000 0.259 266 K C 0.327 177.027 176.600 0.166 0.000 0.989 266 K CA 0.922 57.292 56.287 0.138 0.000 0.728 266 K CB -2.464 30.096 32.500 0.099 0.000 1.260 266 K HN 0.350 nan 8.250 nan 0.000 0.480 267 T N 0.312 114.989 114.554 0.205 0.000 2.759 267 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 267 T C 0.560 175.332 174.700 0.119 0.000 1.042 267 T CA 1.218 63.398 62.100 0.134 0.000 1.140 267 T CB -0.167 68.749 68.868 0.079 0.000 0.864 267 T HN 0.295 nan 8.240 nan 0.000 0.455 268 F N 2.225 122.259 119.950 0.140 0.000 2.334 268 F HA 0.353 4.880 4.527 -0.000 0.000 0.365 268 F C 1.306 177.178 175.800 0.120 0.000 1.124 268 F CA -0.747 57.361 58.000 0.181 0.000 1.166 268 F CB 0.932 40.011 39.000 0.132 0.000 1.355 268 F HN -0.102 nan 8.300 nan 0.000 0.532 269 Q N 0.660 120.573 119.800 0.189 0.000 2.423 269 Q HA 0.036 4.376 4.340 -0.000 0.000 0.231 269 Q C 0.586 176.646 176.000 0.100 0.000 0.894 269 Q CA 0.200 56.085 55.803 0.135 0.000 0.938 269 Q CB 0.025 28.820 28.738 0.095 0.000 1.079 269 Q HN 0.524 nan 8.270 nan 0.000 0.552 270 N N 2.642 121.366 118.700 0.041 0.000 2.475 270 N HA -0.001 4.739 4.740 -0.000 0.000 0.267 270 N C -2.005 173.481 175.510 -0.041 0.000 1.169 270 N CA -1.211 51.820 53.050 -0.031 0.000 0.947 270 N CB 1.734 40.152 38.487 -0.116 0.000 1.061 270 N HN -0.175 nan 8.380 nan 0.000 0.466 271 P HA -0.152 nan 4.420 nan 0.000 0.216 271 P C 1.608 178.815 177.300 -0.155 0.000 1.153 271 P CA 0.859 63.799 63.100 -0.267 0.000 0.858 271 P CB 0.239 31.466 31.700 -0.788 0.000 0.789 272 L N -2.025 119.107 121.223 -0.151 0.000 2.093 272 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 272 L C 2.226 179.118 176.870 0.037 0.000 1.085 272 L CA 1.720 56.527 54.840 -0.055 0.000 0.755 272 L CB -0.652 41.371 42.059 -0.059 0.000 0.904 272 L HN -0.129 nan 8.230 nan 0.000 0.435 273 M N -0.470 119.166 119.600 0.060 0.000 2.080 273 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 273 M C 2.383 178.861 176.300 0.297 0.000 1.068 273 M CA 1.921 57.356 55.300 0.224 0.000 1.109 273 M CB -1.030 31.710 32.600 0.234 0.000 1.342 273 M HN 0.306 nan 8.290 nan 0.000 0.405 274 I N 0.296 120.996 120.570 0.216 0.000 2.264 274 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 274 I C 2.599 178.740 176.117 0.041 0.000 1.111 274 I CA 1.657 63.028 61.300 0.118 0.000 1.382 274 I CB -0.548 37.504 38.000 0.087 0.000 1.060 274 I HN 0.373 nan 8.210 nan 0.000 0.418 275 S N 0.262 115.987 115.700 0.042 0.000 2.423 275 S HA -0.201 4.269 4.470 -0.000 0.000 0.231 275 S C 1.868 176.510 174.600 0.069 0.000 1.014 275 S CA 0.923 59.147 58.200 0.041 0.000 0.965 275 S CB -0.310 62.916 63.200 0.044 0.000 0.785 275 S HN 0.530 nan 8.310 nan 0.000 0.495 276 Q N -0.277 119.573 119.800 0.084 0.000 2.269 276 Q HA 0.203 4.543 4.340 -0.000 0.000 0.201 276 Q C 2.023 178.006 176.000 -0.029 0.000 0.946 276 Q CA 0.769 56.602 55.803 0.050 0.000 0.877 276 Q CB -0.161 28.646 28.738 0.116 0.000 0.963 276 Q HN 0.538 nan 8.270 nan 0.000 0.472 277 L N 0.182 121.383 121.223 -0.038 0.000 2.127 277 L HA -0.018 4.322 4.340 -0.000 0.000 0.203 277 L C 1.831 178.620 176.870 -0.136 0.000 1.080 277 L CA 1.266 56.018 54.840 -0.148 0.000 0.768 277 L CB -0.251 41.591 42.059 -0.363 0.000 0.924 277 L HN 0.135 nan 8.230 nan 0.000 0.444 278 L N 0.031 121.196 121.223 -0.097 0.000 2.042 278 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 278 L C -0.229 176.593 176.870 -0.079 0.000 1.076 278 L CA 1.400 56.189 54.840 -0.084 0.000 0.749 278 L CB -1.818 40.205 42.059 -0.060 0.000 0.893 278 L HN 0.268 nan 8.230 nan 0.000 0.432 279 P HA -0.141 nan 4.420 nan 0.000 0.215 279 P C 1.936 179.183 177.300 -0.088 0.000 1.157 279 P CA 1.188 64.239 63.100 -0.082 0.000 0.868 279 P CB 0.006 31.642 31.700 -0.106 0.000 0.788 280 V N -0.308 119.545 119.914 -0.102 0.000 2.324 280 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 280 V C 2.358 178.410 176.094 -0.071 0.000 1.060 280 V CA 1.704 63.953 62.300 -0.085 0.000 1.042 280 V CB -1.386 30.388 31.823 -0.081 0.000 0.650 280 V HN 0.095 nan 8.190 nan 0.000 0.450 281 L N 0.141 121.315 121.223 -0.082 0.000 2.465 281 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 281 L C 1.724 178.561 176.870 -0.057 0.000 1.145 281 L CA 1.043 55.840 54.840 -0.072 0.000 0.834 281 L CB -0.489 41.519 42.059 -0.086 0.000 0.944 281 L HN 0.378 nan 8.230 nan 0.000 0.451 282 N N 0.110 118.777 118.700 -0.056 0.000 2.234 282 N HA 0.041 4.781 4.740 -0.000 0.000 0.227 282 N C -0.217 175.268 175.510 -0.042 0.000 1.151 282 N CA -0.141 52.881 53.050 -0.046 0.000 0.865 282 N CB 0.225 38.684 38.487 -0.048 0.000 1.066 282 N HN 0.018 nan 8.380 nan 0.000 0.515 283 Q N -0.739 119.035 119.800 -0.043 0.000 2.468 283 Q HA -0.223 4.117 4.340 -0.000 0.000 0.289 283 Q C -1.022 174.955 176.000 -0.039 0.000 1.299 283 Q CA 1.087 56.868 55.803 -0.037 0.000 0.838 283 Q CB -1.610 27.111 28.738 -0.027 0.000 1.195 283 Q HN 0.419 nan 8.270 nan 0.000 0.456 284 K N -0.234 120.135 120.400 -0.051 0.000 2.435 284 K HA 0.803 5.123 4.320 -0.000 0.000 0.251 284 K C -0.274 176.278 176.600 -0.081 0.000 0.954 284 K CA -0.339 55.918 56.287 -0.051 0.000 0.820 284 K CB 2.179 34.654 32.500 -0.042 0.000 1.292 284 K HN 0.188 nan 8.250 nan 0.000 0.436 285 S N -0.357 115.299 115.700 -0.073 0.000 2.697 285 S HA 0.305 4.775 4.470 -0.000 0.000 0.289 285 S C 0.429 175.014 174.600 -0.024 0.000 1.149 285 S CA -0.676 57.444 58.200 -0.134 0.000 0.850 285 S CB 0.249 63.384 63.200 -0.107 0.000 1.151 285 S HN 0.552 nan 8.310 nan 0.000 0.491 286 Y N 0.465 120.748 120.300 -0.029 0.000 2.384 286 Y HA -0.012 4.538 4.550 -0.000 0.000 0.289 286 Y C 2.396 178.270 175.900 -0.043 0.000 1.152 286 Y CA 0.327 58.405 58.100 -0.038 0.000 1.258 286 Y CB -1.203 37.234 38.460 -0.038 0.000 0.979 286 Y HN 0.456 nan 8.280 nan 0.000 0.549 287 V N -0.064 119.912 119.914 0.102 0.000 2.667 287 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 287 V C 1.718 177.826 176.094 0.024 0.000 1.065 287 V CA 1.613 63.943 62.300 0.049 0.000 1.083 287 V CB -0.415 31.424 31.823 0.028 0.000 0.692 287 V HN 0.344 nan 8.190 nan 0.000 0.468 288 D N 0.326 120.738 120.400 0.019 0.000 2.351 288 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 288 D C 1.865 178.154 176.300 -0.018 0.000 0.968 288 D CA 0.878 54.877 54.000 -0.001 0.000 0.899 288 D CB 0.060 40.856 40.800 -0.006 0.000 0.907 288 D HN 0.393 nan 8.370 nan 0.000 0.514 289 L N 0.419 121.633 121.223 -0.015 0.000 2.551 289 L HA -0.007 4.333 4.340 -0.000 0.000 0.228 289 L C 2.272 179.070 176.870 -0.120 0.000 1.153 289 L CA -0.015 54.779 54.840 -0.075 0.000 0.851 289 L CB -0.121 41.891 42.059 -0.079 0.000 0.959 289 L HN -0.005 nan 8.230 nan 0.000 0.451 290 I N -0.483 120.050 120.570 -0.062 0.000 2.179 290 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 290 I C 0.668 176.755 176.117 -0.049 0.000 1.088 290 I CA 1.197 62.471 61.300 -0.042 0.000 1.357 290 I CB -0.007 37.994 38.000 0.003 0.000 1.051 290 I HN 0.292 nan 8.210 nan 0.000 0.409 291 S N 0.958 116.631 115.700 -0.043 0.000 2.383 291 S HA 0.400 4.870 4.470 -0.000 0.000 0.196 291 S C -2.304 172.265 174.600 -0.050 0.000 1.364 291 S CA -1.209 56.966 58.200 -0.041 0.000 1.212 291 S CB 0.571 63.772 63.200 0.002 0.000 1.171 291 S HN 0.010 nan 8.310 nan 0.000 0.456 292 P HA 0.358 nan 4.420 nan 0.000 0.274 292 P C -1.081 176.189 177.300 -0.049 0.000 1.237 292 P CA -0.071 62.988 63.100 -0.068 0.000 0.793 292 P CB 0.665 32.308 31.700 -0.096 0.000 0.977 293 D N 0.931 121.308 120.400 -0.038 0.000 2.472 293 D HA 0.163 4.803 4.640 -0.000 0.000 0.234 293 D C 0.163 176.446 176.300 -0.029 0.000 1.088 293 D CA -0.501 53.482 54.000 -0.028 0.000 0.882 293 D CB -0.257 40.530 40.800 -0.021 0.000 1.037 293 D HN 0.161 nan 8.370 nan 0.000 0.520 294 c N 2.834 121.418 118.600 -0.026 0.000 2.626 294 c HA 0.094 4.664 4.570 -0.000 0.000 0.266 294 c C 2.009 176.092 174.090 -0.011 0.000 1.317 294 c CA -0.150 56.167 56.329 -0.020 0.000 1.716 294 c CB -0.602 41.900 42.510 -0.014 0.000 1.819 294 c HN 0.621 nan 8.230 nan 0.000 0.578 295 Q N 0.983 120.777 119.800 -0.010 0.000 2.402 295 Q HA 0.187 4.527 4.340 -0.000 0.000 0.206 295 Q C 1.103 177.097 176.000 -0.009 0.000 0.919 295 Q CA 0.211 56.011 55.803 -0.006 0.000 0.923 295 Q CB 0.094 28.830 28.738 -0.003 0.000 1.048 295 Q HN 0.636 nan 8.270 nan 0.000 0.515 296 A N 3.904 126.715 122.820 -0.014 0.000 2.454 296 A HA 0.292 4.612 4.320 -0.000 0.000 0.260 296 A C -1.963 175.611 177.584 -0.017 0.000 1.106 296 A CA -1.046 50.982 52.037 -0.015 0.000 0.780 296 A CB -0.243 18.745 19.000 -0.019 0.000 1.044 296 A HN 0.004 nan 8.150 nan 0.000 0.498 297 P HA 0.323 nan 4.420 nan 0.000 0.271 297 P C -0.491 176.797 177.300 -0.019 0.000 1.218 297 P CA 0.034 63.126 63.100 -0.014 0.000 0.780 297 P CB 0.688 32.382 31.700 -0.011 0.000 0.901 298 R N 0.524 121.012 120.500 -0.020 0.000 2.854 298 R HA 0.698 5.038 4.340 -0.000 0.000 0.271 298 R C -0.496 175.793 176.300 -0.019 0.000 0.994 298 R CA -1.013 55.072 56.100 -0.025 0.000 0.945 298 R CB 2.077 32.356 30.300 -0.035 0.000 1.194 298 R HN 0.526 nan 8.270 nan 0.000 0.476 299 A N 2.099 124.908 122.820 -0.020 0.000 2.366 299 A HA 0.262 4.582 4.320 -0.000 0.000 0.272 299 A C -0.438 177.138 177.584 -0.014 0.000 1.135 299 A CA -0.427 51.601 52.037 -0.015 0.000 0.804 299 A CB 0.298 19.289 19.000 -0.015 0.000 1.064 299 A HN 0.565 nan 8.150 nan 0.000 0.499 300 L N 2.759 123.977 121.223 -0.009 0.000 2.499 300 L HA 0.185 4.525 4.340 -0.000 0.000 0.273 300 L C -0.168 176.699 176.870 -0.005 0.000 1.195 300 L CA 0.553 55.389 54.840 -0.006 0.000 0.882 300 L CB 0.048 42.106 42.059 -0.002 0.000 1.133 300 L HN 0.619 nan 8.230 nan 0.000 0.483 301 L N 5.556 126.777 121.223 -0.004 0.000 2.264 301 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 301 L C -0.001 176.872 176.870 0.005 0.000 1.044 301 L CA -0.225 54.615 54.840 -0.000 0.000 0.807 301 L CB 1.159 43.218 42.059 -0.001 0.000 1.192 301 L HN 0.704 nan 8.230 nan 0.000 0.425 302 E N 5.548 125.752 120.200 0.006 0.000 2.244 302 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 302 E C -2.347 174.259 176.600 0.011 0.000 0.914 302 E CA -2.057 54.348 56.400 0.008 0.000 0.794 302 E CB 2.038 31.742 29.700 0.006 0.000 1.210 302 E HN 0.305 nan 8.360 nan 0.000 0.414 303 P HA -0.020 nan 4.420 nan 0.000 0.270 303 P C -0.201 177.106 177.300 0.012 0.000 1.223 303 P CA 0.176 63.285 63.100 0.014 0.000 0.785 303 P CB 0.846 32.553 31.700 0.011 0.000 0.923 304 A N 2.484 125.312 122.820 0.014 0.000 1.972 304 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 304 A C 1.091 178.681 177.584 0.009 0.000 1.169 304 A CA 0.606 52.651 52.037 0.012 0.000 0.635 304 A CB -1.281 17.727 19.000 0.015 0.000 0.810 304 A HN 0.655 nan 8.150 nan 0.000 0.446 305 L N -0.980 120.248 121.223 0.008 0.000 3.709 305 L HA -0.246 4.094 4.340 -0.000 0.000 0.626 305 L C 0.035 176.909 176.870 0.005 0.000 1.119 305 L CA 0.548 55.391 54.840 0.005 0.000 0.996 305 L CB -1.740 40.321 42.059 0.004 0.000 1.327 305 L HN 0.672 nan 8.230 nan 0.000 0.808 306 E N -0.200 120.003 120.200 0.006 0.000 2.350 306 E HA 0.756 5.106 4.350 -0.000 0.000 0.243 306 E C -1.012 175.592 176.600 0.006 0.000 0.959 306 E CA -0.491 55.913 56.400 0.006 0.000 0.883 306 E CB 2.308 32.013 29.700 0.008 0.000 1.820 306 E HN 0.271 nan 8.360 nan 0.000 0.441 307 T N 2.010 116.568 114.554 0.007 0.000 3.767 307 T HA 0.287 4.637 4.350 -0.000 0.000 0.360 307 T C -2.785 171.920 174.700 0.008 0.000 1.181 307 T CA -0.950 61.155 62.100 0.007 0.000 1.110 307 T CB 1.574 70.446 68.868 0.006 0.000 1.201 307 T HN 0.225 nan 8.240 nan 0.000 0.474 308 P HA 0.480 nan 4.420 nan 0.000 0.227 308 P C -2.639 174.667 177.300 0.010 0.000 1.815 308 P CA -1.173 61.933 63.100 0.010 0.000 1.134 308 P CB -0.136 31.570 31.700 0.011 0.000 1.795 309 P HA 0.398 nan 4.420 nan 0.000 0.304 309 P C -0.099 177.208 177.300 0.012 0.000 1.365 309 P CA -0.627 62.480 63.100 0.011 0.000 0.935 309 P CB 2.721 34.427 31.700 0.010 0.000 1.091 310 Q N 2.733 122.541 119.800 0.013 0.000 2.317 310 Q HA 0.396 4.736 4.340 -0.000 0.000 0.220 310 Q C 0.518 176.527 176.000 0.014 0.000 0.873 310 Q CA 0.755 56.566 55.803 0.013 0.000 0.936 310 Q CB -0.271 28.476 28.738 0.015 0.000 1.105 310 Q HN 0.601 nan 8.270 nan 0.000 0.520 311 A N 0.565 123.395 122.820 0.016 0.000 2.475 311 A HA -0.244 4.076 4.320 -0.000 0.000 0.295 311 A C 0.093 177.687 177.584 0.018 0.000 1.457 311 A CA 1.352 53.398 52.037 0.016 0.000 0.734 311 A CB -1.714 17.294 19.000 0.013 0.000 1.118 311 A HN 0.417 nan 8.150 nan 0.000 0.400 312 K N -1.046 119.368 120.400 0.023 0.000 1.828 312 K HA 0.816 5.136 4.320 -0.000 0.000 0.268 312 K C -0.470 176.149 176.600 0.032 0.000 0.973 312 K CA 0.179 56.480 56.287 0.025 0.000 1.093 312 K CB 1.586 34.102 32.500 0.026 0.000 2.798 312 K HN 1.032 nan 8.250 nan 0.000 1.015 313 V N 3.900 123.838 119.914 0.039 0.000 2.488 313 V HA 0.425 4.545 4.120 -0.000 0.000 0.293 313 V C -2.565 173.579 176.094 0.083 0.000 1.027 313 V CA -1.670 60.663 62.300 0.054 0.000 0.862 313 V CB 1.462 33.299 31.823 0.024 0.000 1.008 313 V HN 0.606 nan 8.190 nan 0.000 0.428 314 P HA 0.243 nan 4.420 nan 0.000 0.272 314 P C -0.741 176.698 177.300 0.233 0.000 1.230 314 P CA -0.371 62.822 63.100 0.154 0.000 0.788 314 P CB 0.795 32.585 31.700 0.150 0.000 0.949 315 K N 1.163 121.660 120.400 0.161 0.000 2.350 315 K HA 0.244 4.564 4.320 -0.000 0.000 0.279 315 K C -0.566 176.194 176.600 0.267 0.000 1.027 315 K CA -0.215 56.179 56.287 0.179 0.000 0.969 315 K CB 0.115 32.665 32.500 0.083 0.000 0.954 315 K HN 0.248 nan 8.250 nan 0.000 0.474 316 F N 3.694 123.638 119.950 -0.011 0.000 2.432 316 F HA 0.438 4.965 4.527 -0.000 0.000 0.329 316 F C 0.491 176.283 175.800 -0.014 0.000 1.076 316 F CA -1.081 56.911 58.000 -0.012 0.000 1.018 316 F CB 1.037 40.029 39.000 -0.014 0.000 1.201 316 F HN 0.345 nan 8.300 nan 0.000 0.489 317 I N -0.788 119.820 120.570 0.063 0.000 2.646 317 I HA 0.586 4.756 4.170 -0.000 0.000 0.299 317 I C -1.358 174.787 176.117 0.047 0.000 1.036 317 I CA -0.866 60.455 61.300 0.036 0.000 1.074 317 I CB 2.224 40.210 38.000 -0.024 0.000 1.258 317 I HN 0.277 nan 8.210 nan 0.000 0.430 318 D N 5.369 125.793 120.400 0.040 0.000 2.280 318 D HA 0.450 5.090 4.640 -0.000 0.000 0.236 318 D C -0.704 175.604 176.300 0.013 0.000 1.082 318 D CA -0.133 53.886 54.000 0.032 0.000 0.834 318 D CB 2.750 43.566 40.800 0.027 0.000 1.100 318 D HN 0.372 nan 8.370 nan 0.000 0.486 319 V N 2.786 122.705 119.914 0.008 0.000 2.769 319 V HA 0.498 4.618 4.120 -0.000 0.000 0.312 319 V C -1.353 174.739 176.094 -0.003 0.000 1.061 319 V CA -0.825 61.477 62.300 0.002 0.000 0.931 319 V CB 2.467 34.289 31.823 -0.002 0.000 1.010 319 V HN 0.340 nan 8.190 nan 0.000 0.433 320 L N 5.798 127.016 121.223 -0.009 0.000 2.305 320 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 320 L C -0.870 175.985 176.870 -0.024 0.000 1.013 320 L CA -0.184 54.644 54.840 -0.020 0.000 0.819 320 L CB 1.463 43.507 42.059 -0.025 0.000 1.227 320 L HN 0.713 nan 8.230 nan 0.000 0.417 321 L N 5.517 126.722 121.223 -0.030 0.000 2.307 321 L HA 0.594 4.934 4.340 -0.000 0.000 0.282 321 L C -0.649 176.212 176.870 -0.015 0.000 1.051 321 L CA 0.055 54.861 54.840 -0.057 0.000 0.804 321 L CB 0.966 42.933 42.059 -0.153 0.000 1.197 321 L HN 0.770 nan 8.230 nan 0.000 0.431 322 K N 3.931 124.338 120.400 0.012 0.000 2.468 322 K HA 0.717 5.037 4.320 -0.000 0.000 0.252 322 K C -2.105 174.570 176.600 0.124 0.000 0.932 322 K CA -0.735 55.589 56.287 0.061 0.000 0.794 322 K CB 2.017 34.535 32.500 0.030 0.000 1.241 322 K HN 0.435 nan 8.250 nan 0.000 0.428 323 V N 3.324 123.363 119.914 0.207 0.000 2.444 323 V HA 0.450 4.570 4.120 -0.000 0.000 0.294 323 V C -0.554 175.677 176.094 0.228 0.000 1.022 323 V CA -0.563 61.890 62.300 0.255 0.000 0.850 323 V CB 1.296 33.308 31.823 0.314 0.000 0.992 323 V HN 0.963 nan 8.190 nan 0.000 0.426 324 S N 2.527 118.358 115.700 0.219 0.000 2.671 324 S HA 0.875 5.345 4.470 -0.000 0.000 0.299 324 S C 0.683 175.351 174.600 0.113 0.000 1.116 324 S CA 0.063 58.347 58.200 0.140 0.000 0.912 324 S CB 1.963 65.208 63.200 0.075 0.000 1.130 324 S HN 2.195 nan 8.310 nan 0.000 0.501 325 G N 0.134 108.957 108.800 0.039 0.000 2.176 325 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.253 325 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.253 325 G C -0.114 174.777 174.900 -0.014 0.000 0.979 325 G CA 0.362 45.438 45.100 -0.041 0.000 0.641 325 G HN 1.656 nan 8.290 nan 0.000 0.530 326 I N -2.695 117.925 120.570 0.082 0.000 2.892 326 I HA 0.836 5.006 4.170 -0.000 0.000 0.306 326 I C 1.394 177.563 176.117 0.088 0.000 1.078 326 I CA -0.216 61.144 61.300 0.101 0.000 1.032 326 I CB 1.617 39.732 38.000 0.190 0.000 1.229 326 I HN 0.142 nan 8.210 nan 0.000 0.435 327 S N 2.691 118.432 115.700 0.070 0.000 2.353 327 S HA 0.059 4.529 4.470 -0.000 0.000 0.222 327 S C -0.983 173.655 174.600 0.064 0.000 1.035 327 S CA 0.984 59.217 58.200 0.055 0.000 1.025 327 S CB -1.428 61.798 63.200 0.043 0.000 0.902 327 S HN 0.792 nan 8.310 nan 0.000 0.440 328 P HA 0.445 nan 4.420 nan 0.000 0.297 328 P C -0.972 176.404 177.300 0.127 0.000 1.331 328 P CA -0.542 62.612 63.100 0.090 0.000 0.803 328 P CB 1.505 33.259 31.700 0.090 0.000 0.929 329 S N 2.852 118.622 115.700 0.117 0.000 2.576 329 S HA 0.325 4.795 4.470 -0.000 0.000 0.276 329 S C -0.483 174.232 174.600 0.192 0.000 1.339 329 S CA -0.462 57.825 58.200 0.145 0.000 1.039 329 S CB 0.465 63.723 63.200 0.096 0.000 0.902 329 S HN 0.523 nan 8.310 nan 0.000 0.516 330 Y N 1.389 121.745 120.300 0.093 0.000 2.429 330 Y HA 0.641 5.191 4.550 -0.000 0.000 0.342 330 Y C -0.118 175.835 175.900 0.088 0.000 1.004 330 Y CA -0.992 57.172 58.100 0.106 0.000 1.075 330 Y CB 1.489 40.042 38.460 0.155 0.000 1.214 330 Y HN 0.778 nan 8.280 nan 0.000 0.455 331 R N 3.300 123.467 120.500 -0.555 0.000 2.725 331 R HA 0.367 4.707 4.340 -0.000 0.000 0.277 331 R C -2.041 173.898 176.300 -0.602 0.000 0.987 331 R CA -1.171 54.687 56.100 -0.402 0.000 0.901 331 R CB 2.039 32.221 30.300 -0.198 0.000 1.207 331 R HN 0.818 nan 8.270 nan 0.000 0.463 332 H N -0.216 118.632 119.070 -0.369 0.000 2.877 332 H HA 0.256 4.812 4.556 -0.000 0.000 0.347 332 H C -1.442 173.809 175.328 -0.128 0.000 1.042 332 H CA -0.152 55.756 56.048 -0.233 0.000 1.276 332 H CB 1.926 31.638 29.762 -0.082 0.000 1.681 332 H HN 0.431 nan 8.280 nan 0.000 0.521 333 S N 4.383 119.905 115.700 -0.297 0.000 2.457 333 S HA 0.568 5.038 4.470 -0.000 0.000 0.289 333 S C -0.829 173.732 174.600 -0.064 0.000 1.163 333 S CA -0.245 57.873 58.200 -0.137 0.000 1.078 333 S CB 0.072 63.187 63.200 -0.142 0.000 0.987 333 S HN 0.638 nan 8.310 nan 0.000 0.482 334 V N 2.952 122.890 119.914 0.040 0.000 2.789 334 V HA 0.848 4.968 4.120 -0.000 0.000 0.311 334 V C -0.728 175.396 176.094 0.050 0.000 1.073 334 V CA -0.513 61.831 62.300 0.073 0.000 0.921 334 V CB 2.083 33.983 31.823 0.128 0.000 1.009 334 V HN 0.752 nan 8.190 nan 0.000 0.426 335 S N 3.863 119.609 115.700 0.078 0.000 2.449 335 S HA 0.870 5.340 4.470 -0.000 0.000 0.310 335 S C -0.338 174.346 174.600 0.140 0.000 1.096 335 S CA -0.279 58.004 58.200 0.137 0.000 1.095 335 S CB 1.259 64.582 63.200 0.205 0.000 1.007 335 S HN 1.708 nan 8.310 nan 0.000 0.474 336 V N 0.708 120.575 119.914 -0.077 0.000 3.159 336 V HA 0.744 4.864 4.120 -0.000 0.000 0.308 336 V C -3.259 172.265 176.094 -0.949 0.000 1.190 336 V CA -3.234 58.800 62.300 -0.443 0.000 1.037 336 V CB 1.298 32.984 31.823 -0.229 0.000 1.060 336 V HN 0.467 nan 8.190 nan 0.000 0.437 337 P HA 0.264 nan 4.420 nan 0.000 0.265 337 P C -0.016 177.054 177.300 -0.383 0.000 1.193 337 P CA 0.652 63.234 63.100 -0.863 0.000 0.765 337 P CB 0.345 31.730 31.700 -0.525 0.000 0.823 338 A N 3.620 126.303 122.820 -0.229 0.000 2.567 338 A HA 0.364 4.684 4.320 -0.000 0.000 0.240 338 A C 1.597 179.109 177.584 -0.119 0.000 1.053 338 A CA 1.046 53.007 52.037 -0.128 0.000 0.755 338 A CB -1.372 17.591 19.000 -0.062 0.000 0.978 338 A HN 0.877 nan 8.150 nan 0.000 0.507 339 G N 1.606 110.338 108.800 -0.114 0.000 2.213 339 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.226 339 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.226 339 G C 0.505 175.345 174.900 -0.099 0.000 0.992 339 G CA 0.224 45.266 45.100 -0.097 0.000 0.632 339 G HN 1.295 nan 8.290 nan 0.000 0.511 340 S N 1.381 117.009 115.700 -0.120 0.000 2.549 340 S HA 0.497 4.967 4.470 -0.000 0.000 0.286 340 S C 0.974 175.520 174.600 -0.090 0.000 1.314 340 S CA 0.410 58.549 58.200 -0.103 0.000 1.062 340 S CB 1.247 64.372 63.200 -0.126 0.000 0.865 340 S HN 1.520 nan 8.310 nan 0.000 0.498 341 S N 2.693 118.358 115.700 -0.058 0.000 2.624 341 S HA 0.255 4.725 4.470 -0.000 0.000 0.263 341 S C 1.065 175.646 174.600 -0.032 0.000 1.287 341 S CA -0.795 57.381 58.200 -0.041 0.000 0.990 341 S CB 0.333 63.531 63.200 -0.004 0.000 0.950 341 S HN 0.543 nan 8.310 nan 0.000 0.561 342 L N 0.812 122.041 121.223 0.010 0.000 2.131 342 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 342 L C 2.488 179.302 176.870 -0.093 0.000 1.092 342 L CA 2.107 56.942 54.840 -0.008 0.000 0.759 342 L CB -1.210 40.890 42.059 0.068 0.000 0.903 342 L HN 1.015 nan 8.230 nan 0.000 0.435 343 E N -0.657 119.507 120.200 -0.061 0.000 2.085 343 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 343 E C 1.633 178.200 176.600 -0.054 0.000 0.994 343 E CA 1.579 57.934 56.400 -0.075 0.000 0.801 343 E CB -0.038 29.676 29.700 0.024 0.000 0.743 343 E HN 0.567 nan 8.360 nan 0.000 0.453 344 D N 0.463 120.848 120.400 -0.024 0.000 2.104 344 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 344 D C 2.071 178.350 176.300 -0.034 0.000 0.994 344 D CA 1.041 55.035 54.000 -0.010 0.000 0.830 344 D CB -0.275 40.514 40.800 -0.018 0.000 0.959 344 D HN 0.320 nan 8.370 nan 0.000 0.452 345 I N 0.630 121.154 120.570 -0.078 0.000 2.226 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 345 I C 2.445 178.449 176.117 -0.187 0.000 1.100 345 I CA 0.661 61.897 61.300 -0.106 0.000 1.374 345 I CB -0.106 37.828 38.000 -0.110 0.000 1.057 345 I HN -0.019 nan 8.210 nan 0.000 0.413 346 L N 0.288 121.337 121.223 -0.289 0.000 2.017 346 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 346 L C 2.551 179.377 176.870 -0.074 0.000 1.073 346 L CA 1.582 56.157 54.840 -0.443 0.000 0.745 346 L CB -0.690 40.806 42.059 -0.938 0.000 0.894 346 L HN 0.189 nan 8.230 nan 0.000 0.432 347 K N 0.370 120.805 120.400 0.058 0.000 2.063 347 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 347 K C 1.822 178.496 176.600 0.124 0.000 1.048 347 K CA 1.985 58.413 56.287 0.235 0.000 0.928 347 K CB -0.403 32.208 32.500 0.185 0.000 0.713 347 K HN 0.359 nan 8.250 nan 0.000 0.442 348 N N 0.956 119.700 118.700 0.073 0.000 2.104 348 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 348 N C 1.728 177.315 175.510 0.128 0.000 1.024 348 N CA 1.624 54.752 53.050 0.131 0.000 0.853 348 N CB -0.143 38.426 38.487 0.137 0.000 1.008 348 N HN 0.151 nan 8.380 nan 0.000 0.424 349 A N -0.095 122.699 122.820 -0.044 0.000 1.930 349 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 349 A C 2.221 179.800 177.584 -0.009 0.000 1.175 349 A CA 1.410 53.262 52.037 -0.308 0.000 0.627 349 A CB -0.866 17.646 19.000 -0.813 0.000 0.815 349 A HN 0.605 nan 8.150 nan 0.000 0.443 350 Q N -0.995 118.908 119.800 0.172 0.000 2.119 350 Q HA -0.204 4.136 4.340 -0.000 0.000 0.201 350 Q C 1.957 177.993 176.000 0.061 0.000 0.972 350 Q CA 1.658 57.574 55.803 0.188 0.000 0.847 350 Q CB -0.048 28.849 28.738 0.265 0.000 0.903 350 Q HN 0.610 nan 8.270 nan 0.000 0.433 351 E N -0.212 119.985 120.200 -0.006 0.000 2.046 351 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 351 E C 0.405 176.873 176.600 -0.220 0.000 0.982 351 E CA 1.375 57.669 56.400 -0.176 0.000 0.800 351 E CB 0.082 29.583 29.700 -0.332 0.000 0.756 351 E HN 0.488 nan 8.360 nan 0.000 0.449 352 H N -1.269 117.868 119.070 0.111 0.000 2.524 352 H HA 0.539 5.095 4.556 -0.000 0.000 0.299 352 H C 0.222 175.674 175.328 0.206 0.000 1.074 352 H CA 0.056 56.187 56.048 0.139 0.000 1.115 352 H CB 0.739 30.589 29.762 0.146 0.000 1.522 352 H HN 0.179 nan 8.280 nan 0.000 0.543 353 G N -0.533 108.424 108.800 0.262 0.000 2.428 353 G HA2 0.115 4.075 3.960 -0.000 0.000 0.305 353 G HA3 0.115 4.075 3.960 -0.000 0.000 0.305 353 G C -0.333 174.705 174.900 0.230 0.000 1.260 353 G CA -0.959 44.332 45.100 0.320 0.000 0.853 353 G HN 0.177 nan 8.290 nan 0.000 0.480 354 R N -0.756 119.917 120.500 0.288 0.000 2.388 354 R HA 0.233 4.573 4.340 -0.000 0.000 0.247 354 R C 0.153 176.497 176.300 0.074 0.000 0.931 354 R CA -0.332 55.875 56.100 0.178 0.000 1.082 354 R CB 0.150 30.572 30.300 0.203 0.000 1.135 354 R HN 0.300 nan 8.270 nan 0.000 0.525 355 F N 3.151 123.056 119.950 -0.076 0.000 2.518 355 F HA 0.065 4.592 4.527 -0.000 0.000 0.359 355 F C 0.661 176.362 175.800 -0.166 0.000 1.118 355 F CA -0.226 57.592 58.000 -0.304 0.000 1.287 355 F CB 0.463 39.304 39.000 -0.265 0.000 1.132 355 F HN -0.046 nan 8.300 nan 0.000 0.587 356 R N 5.744 125.646 120.500 -0.997 0.000 2.698 356 R HA 0.689 5.029 4.340 -0.000 0.000 0.275 356 R C -2.215 173.550 176.300 -0.892 0.000 1.001 356 R CA -0.703 54.969 56.100 -0.713 0.000 0.896 356 R CB 1.979 32.039 30.300 -0.400 0.000 1.218 356 R HN 0.703 nan 8.270 nan 0.000 0.462 357 F N -0.855 118.689 119.950 -0.677 0.000 2.693 357 F HA 0.670 5.197 4.527 -0.000 0.000 0.309 357 F C -1.694 173.933 175.800 -0.288 0.000 1.129 357 F CA -1.133 56.551 58.000 -0.526 0.000 0.948 357 F CB 1.752 40.504 39.000 -0.413 0.000 1.315 357 F HN 0.554 nan 8.300 nan 0.000 0.447 358 R N 0.885 121.177 120.500 -0.347 0.000 2.725 358 R HA 0.747 5.087 4.340 -0.000 0.000 0.277 358 R C -1.280 174.960 176.300 -0.100 0.000 0.987 358 R CA -0.803 55.096 56.100 -0.334 0.000 0.901 358 R CB 2.642 32.814 30.300 -0.214 0.000 1.207 358 R HN 1.003 nan 8.270 nan 0.000 0.463 359 T N -1.359 113.153 114.554 -0.070 0.000 2.916 359 T HA 0.471 4.821 4.350 -0.000 0.000 0.292 359 T C -0.696 174.042 174.700 0.064 0.000 1.064 359 T CA -0.998 61.133 62.100 0.050 0.000 1.011 359 T CB 2.087 71.032 68.868 0.129 0.000 1.152 359 T HN 0.614 nan 8.240 nan 0.000 0.510 360 Q N 0.842 120.730 119.800 0.146 0.000 2.377 360 Q HA 0.737 5.077 4.340 -0.000 0.000 0.271 360 Q C -0.630 175.467 176.000 0.162 0.000 1.077 360 Q CA -1.452 54.438 55.803 0.145 0.000 0.820 360 Q CB 1.969 30.807 28.738 0.167 0.000 1.347 360 Q HN 0.972 nan 8.270 nan 0.000 0.444 361 A N 1.734 124.617 122.820 0.105 0.000 2.498 361 A HA 0.475 4.795 4.320 -0.000 0.000 0.239 361 A C 0.001 177.628 177.584 0.072 0.000 1.068 361 A CA 0.519 52.612 52.037 0.093 0.000 0.766 361 A CB 0.021 19.060 19.000 0.066 0.000 1.003 361 A HN 0.943 nan 8.150 nan 0.000 0.497 362 S N 1.061 116.796 115.700 0.060 0.000 2.671 362 S HA 0.515 4.985 4.470 -0.000 0.000 0.277 362 S C 0.413 175.014 174.600 0.002 0.000 1.165 362 S CA -0.671 57.531 58.200 0.003 0.000 0.822 362 S CB 0.463 63.631 63.200 -0.054 0.000 1.150 362 S HN 0.559 nan 8.310 nan 0.000 0.479 363 L N 0.979 122.192 121.223 -0.017 0.000 2.362 363 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 363 L C 1.874 178.706 176.870 -0.064 0.000 1.134 363 L CA 0.836 55.664 54.840 -0.019 0.000 0.807 363 L CB -0.604 41.459 42.059 0.007 0.000 0.927 363 L HN 0.718 nan 8.230 nan 0.000 0.447 364 S N -0.797 114.867 115.700 -0.059 0.000 2.556 364 S HA 0.349 4.819 4.470 -0.000 0.000 0.216 364 S C 0.846 175.418 174.600 -0.047 0.000 0.970 364 S CA 0.520 58.677 58.200 -0.072 0.000 0.912 364 S CB 0.510 63.670 63.200 -0.067 0.000 0.790 364 S HN 0.673 nan 8.310 nan 0.000 0.504 365 G N 1.923 110.717 108.800 -0.009 0.000 2.466 365 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.316 365 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.316 365 G C -3.366 171.607 174.900 0.121 0.000 1.270 365 G CA -1.320 43.816 45.100 0.060 0.000 0.982 365 G HN 0.086 nan 8.290 nan 0.000 0.506 366 P HA 0.416 nan 4.420 nan 0.000 0.265 366 P C -0.708 176.721 177.300 0.214 0.000 1.222 366 P CA 0.171 63.375 63.100 0.173 0.000 0.767 366 P CB 0.211 32.009 31.700 0.163 0.000 0.801 367 F N 5.467 125.456 119.950 0.065 0.000 2.405 367 F HA 0.380 4.907 4.527 -0.000 0.000 0.355 367 F C -0.394 175.467 175.800 0.100 0.000 1.121 367 F CA -1.426 56.613 58.000 0.064 0.000 1.112 367 F CB 0.638 39.665 39.000 0.046 0.000 1.126 367 F HN 0.084 nan 8.300 nan 0.000 0.481 368 L N 6.773 127.744 121.223 -0.419 0.000 2.433 368 L HA 0.238 4.578 4.340 -0.000 0.000 0.275 368 L C 0.859 177.488 176.870 -0.403 0.000 1.128 368 L CA 0.805 55.469 54.840 -0.293 0.000 0.875 368 L CB 0.492 42.439 42.059 -0.188 0.000 1.171 368 L HN 0.884 nan 8.230 nan 0.000 0.463 369 T N -0.496 113.972 114.554 -0.144 0.000 2.964 369 T HA 0.266 4.616 4.350 -0.000 0.000 0.249 369 T C 0.653 175.436 174.700 0.140 0.000 1.000 369 T CA 0.311 62.436 62.100 0.042 0.000 0.992 369 T CB 0.067 69.005 68.868 0.117 0.000 1.087 369 T HN 0.489 nan 8.240 nan 0.000 0.489 370 S N 0.128 115.772 115.700 -0.093 0.000 2.540 370 S HA 0.697 5.167 4.470 -0.000 0.000 0.275 370 S C -1.727 172.577 174.600 -0.494 0.000 1.123 370 S CA -0.517 57.595 58.200 -0.147 0.000 0.907 370 S CB 1.937 65.092 63.200 -0.075 0.000 1.081 370 S HN 0.243 nan 8.310 nan 0.000 0.476 371 V N 5.331 124.851 119.914 -0.657 0.000 2.686 371 V HA 0.502 4.622 4.120 -0.000 0.000 0.306 371 V C -0.024 175.790 176.094 -0.467 0.000 1.065 371 V CA -0.815 60.997 62.300 -0.814 0.000 0.894 371 V CB 1.373 32.292 31.823 -1.507 0.000 1.004 371 V HN 1.061 nan 8.190 nan 0.000 0.424 372 L N 4.607 125.509 121.223 -0.534 0.000 3.742 372 L HA -0.273 4.067 4.340 -0.000 0.000 0.431 372 L C 1.469 178.229 176.870 -0.184 0.000 1.220 372 L CA 0.948 55.568 54.840 -0.367 0.000 0.863 372 L CB -1.432 40.457 42.059 -0.285 0.000 1.751 372 L HN 1.287 nan 8.230 nan 0.000 0.922 373 G N -1.308 107.385 108.800 -0.179 0.000 2.184 373 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 373 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 373 G C 0.383 175.281 174.900 -0.004 0.000 0.975 373 G CA 0.294 45.341 45.100 -0.089 0.000 0.642 373 G HN 0.317 nan 8.290 nan 0.000 0.536 374 R N 0.795 121.332 120.500 0.062 0.000 2.230 374 R HA 0.322 4.662 4.340 -0.000 0.000 0.337 374 R C 0.331 176.822 176.300 0.319 0.000 1.063 374 R CA -0.458 55.761 56.100 0.199 0.000 0.935 374 R CB 0.971 31.463 30.300 0.320 0.000 1.121 374 R HN 0.388 nan 8.270 nan 0.000 0.486 375 K N 1.435 121.960 120.400 0.208 0.000 2.249 375 K HA 0.293 4.612 4.320 -0.000 0.000 0.280 375 K C -0.293 176.454 176.600 0.244 0.000 1.033 375 K CA -0.267 56.158 56.287 0.231 0.000 0.946 375 K CB 1.053 33.627 32.500 0.124 0.000 1.005 375 K HN 0.567 nan 8.250 nan 0.000 0.469 376 A N 3.101 126.097 122.820 0.294 0.000 2.488 376 A HA 0.314 4.634 4.320 -0.000 0.000 0.249 376 A C 0.543 178.211 177.584 0.140 0.000 1.083 376 A CA 0.163 52.285 52.037 0.141 0.000 0.768 376 A CB 0.397 19.498 19.000 0.168 0.000 1.017 376 A HN 0.905 nan 8.150 nan 0.000 0.496 377 G N 1.118 109.970 108.800 0.086 0.000 2.494 377 G HA2 0.381 4.341 3.960 -0.000 0.000 0.270 377 G HA3 0.381 4.341 3.960 -0.000 0.000 0.270 377 G C 0.486 175.456 174.900 0.116 0.000 1.423 377 G CA 0.076 45.227 45.100 0.084 0.000 1.055 377 G HN 0.670 nan 8.290 nan 0.000 0.536 378 E N -0.449 119.794 120.200 0.072 0.000 2.031 378 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 378 E C 2.026 178.656 176.600 0.051 0.000 0.994 378 E CA 1.034 57.469 56.400 0.059 0.000 0.800 378 E CB -0.002 29.705 29.700 0.012 0.000 0.752 378 E HN 0.373 nan 8.360 nan 0.000 0.447 379 R N 0.666 121.160 120.500 -0.010 0.000 2.865 379 R HA 0.209 4.549 4.340 -0.000 0.000 0.370 379 R C -0.902 175.442 176.300 0.074 0.000 1.168 379 R CA 0.051 56.043 56.100 -0.180 0.000 1.058 379 R CB 0.139 30.240 30.300 -0.331 0.000 1.419 379 R HN 0.036 nan 8.270 nan 0.000 0.580 380 E N 0.232 120.649 120.200 0.361 0.000 2.277 380 E HA 0.396 4.746 4.350 -0.000 0.000 0.266 380 E C -1.135 175.811 176.600 0.577 0.000 0.901 380 E CA -1.071 55.564 56.400 0.392 0.000 0.782 380 E CB 2.013 31.761 29.700 0.080 0.000 1.228 380 E HN 0.108 nan 8.360 nan 0.000 0.424 381 F N -1.896 118.118 119.950 0.106 0.000 2.645 381 F HA 0.524 5.051 4.527 -0.000 0.000 0.310 381 F C -1.827 173.840 175.800 -0.221 0.000 1.102 381 F CA -1.499 56.479 58.000 -0.038 0.000 0.952 381 F CB 0.640 39.592 39.000 -0.080 0.000 1.326 381 F HN 0.416 nan 8.300 nan 0.000 0.456 382 W N 3.205 124.436 121.300 -0.115 0.000 2.481 382 W HA 0.399 5.059 4.660 0.000 0.000 0.320 382 W C 0.190 176.551 176.519 -0.263 0.000 1.209 382 W CA -0.018 57.188 57.345 -0.232 0.000 1.400 382 W CB 0.829 30.197 29.460 -0.152 0.000 1.361 382 W HN 0.604 nan 8.180 nan 0.000 0.456 383 Q N 2.577 122.180 119.800 -0.328 0.000 2.243 383 Q HA 0.431 4.771 4.340 -0.000 0.000 0.252 383 Q C -0.882 175.099 176.000 -0.032 0.000 0.909 383 Q CA -0.402 55.257 55.803 -0.240 0.000 0.922 383 Q CB 1.251 29.689 28.738 -0.499 0.000 1.215 383 Q HN 0.276 nan 8.270 nan 0.000 0.427 384 V N 5.620 125.532 119.914 -0.004 0.000 2.398 384 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 384 V C -0.582 175.459 176.094 -0.088 0.000 1.026 384 V CA -0.623 61.650 62.300 -0.044 0.000 0.868 384 V CB 1.157 32.939 31.823 -0.070 0.000 0.982 384 V HN 0.654 nan 8.190 nan 0.000 0.443 385 L N 4.206 125.375 121.223 -0.090 0.000 2.354 385 L HA 0.651 4.991 4.340 -0.000 0.000 0.264 385 L C -0.030 176.772 176.870 -0.113 0.000 1.008 385 L CA -0.616 54.167 54.840 -0.095 0.000 0.819 385 L CB 1.848 43.876 42.059 -0.052 0.000 1.339 385 L HN 0.602 nan 8.230 nan 0.000 0.420 386 R N 1.008 121.440 120.500 -0.112 0.000 2.221 386 R HA 0.276 4.615 4.340 -0.000 0.000 0.327 386 R C -0.864 175.419 176.300 -0.028 0.000 1.033 386 R CA -0.564 55.495 56.100 -0.069 0.000 0.887 386 R CB 0.908 31.176 30.300 -0.053 0.000 1.057 386 R HN 0.727 nan 8.270 nan 0.000 0.455 387 D N 5.012 125.404 120.400 -0.014 0.000 2.389 387 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 387 D C -1.994 174.307 176.300 0.002 0.000 1.128 387 D CA -0.989 53.008 54.000 -0.005 0.000 0.884 387 D CB 0.991 41.790 40.800 -0.002 0.000 1.194 387 D HN 0.316 nan 8.370 nan 0.000 0.441 388 P HA 0.250 nan 4.420 nan 0.000 0.294 388 P C -0.667 176.634 177.300 0.000 0.000 1.294 388 P CA -0.374 62.727 63.100 0.001 0.000 0.827 388 P CB 1.072 32.774 31.700 0.005 0.000 0.992 389 D N 0.087 120.485 120.400 -0.004 0.000 2.882 389 D HA -0.105 4.535 4.640 -0.000 0.000 0.229 389 D C -0.621 175.679 176.300 -0.001 0.000 1.167 389 D CA 1.251 55.250 54.000 -0.002 0.000 0.759 389 D CB -1.047 39.756 40.800 0.004 0.000 1.088 389 D HN 0.388 nan 8.370 nan 0.000 0.425 390 T N 1.430 115.979 114.554 -0.009 0.000 2.821 390 T HA 0.383 4.733 4.350 -0.000 0.000 0.307 390 T C -2.417 172.266 174.700 -0.029 0.000 1.034 390 T CA -1.168 60.927 62.100 -0.008 0.000 0.953 390 T CB 2.005 70.871 68.868 -0.003 0.000 0.968 390 T HN -0.123 nan 8.240 nan 0.000 0.462 391 P HA 0.121 nan 4.420 nan 0.000 0.267 391 P C 0.023 177.294 177.300 -0.048 0.000 1.205 391 P CA -0.281 62.807 63.100 -0.021 0.000 0.765 391 P CB 0.441 32.158 31.700 0.028 0.000 0.828 392 L N 3.240 124.391 121.223 -0.120 0.000 2.473 392 L HA 0.065 4.405 4.340 -0.000 0.000 0.268 392 L C 1.518 178.351 176.870 -0.062 0.000 1.215 392 L CA 0.288 55.015 54.840 -0.188 0.000 0.823 392 L CB 0.059 41.875 42.059 -0.405 0.000 1.099 392 L HN 0.432 nan 8.230 nan 0.000 0.483 393 Q N 0.788 120.582 119.800 -0.011 0.000 2.219 393 Q HA 0.191 4.531 4.340 -0.000 0.000 0.209 393 Q C -0.539 175.419 176.000 -0.071 0.000 0.854 393 Q CA 0.018 55.852 55.803 0.051 0.000 0.960 393 Q CB 0.945 29.791 28.738 0.180 0.000 1.116 393 Q HN 0.591 nan 8.270 nan 0.000 0.500 394 Q N -0.836 118.929 119.800 -0.059 0.000 2.451 394 Q HA 0.539 4.879 4.340 -0.000 0.000 0.281 394 Q C -0.364 175.612 176.000 -0.040 0.000 1.099 394 Q CA -0.752 54.995 55.803 -0.095 0.000 0.806 394 Q CB 2.001 30.762 28.738 0.038 0.000 1.419 394 Q HN 0.210 nan 8.270 nan 0.000 0.427 395 G N 0.299 109.080 108.800 -0.032 0.000 2.563 395 G HA2 0.275 4.235 3.960 -0.000 0.000 0.283 395 G HA3 0.275 4.235 3.960 -0.000 0.000 0.283 395 G C 0.891 175.815 174.900 0.040 0.000 1.309 395 G CA -0.349 44.757 45.100 0.009 0.000 1.022 395 G HN 0.816 nan 8.290 nan 0.000 0.501 396 I N -2.278 118.309 120.570 0.029 0.000 2.264 396 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 396 I C 2.398 178.544 176.117 0.048 0.000 1.111 396 I CA 1.998 63.312 61.300 0.023 0.000 1.382 396 I CB -0.195 37.784 38.000 -0.035 0.000 1.060 396 I HN 0.306 nan 8.210 nan 0.000 0.418 397 A N 0.342 123.200 122.820 0.063 0.000 2.119 397 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 397 A C 1.804 179.428 177.584 0.067 0.000 1.152 397 A CA 1.548 53.630 52.037 0.074 0.000 0.708 397 A CB -0.411 18.653 19.000 0.107 0.000 0.805 397 A HN 0.583 nan 8.150 nan 0.000 0.460 398 D N -2.690 117.747 120.400 0.061 0.000 2.422 398 D HA 0.085 4.725 4.640 -0.000 0.000 0.218 398 D C -0.171 176.162 176.300 0.055 0.000 1.047 398 D CA 0.004 54.032 54.000 0.046 0.000 0.885 398 D CB -0.002 40.805 40.800 0.012 0.000 1.035 398 D HN 0.433 nan 8.370 nan 0.000 0.502 399 Y N 2.943 123.225 120.300 -0.030 0.000 2.465 399 Y HA 0.135 4.685 4.550 -0.000 0.000 0.331 399 Y C 0.086 175.969 175.900 -0.027 0.000 1.102 399 Y CA -0.037 58.046 58.100 -0.028 0.000 1.358 399 Y CB 0.364 38.803 38.460 -0.034 0.000 1.213 399 Y HN -0.337 nan 8.280 nan 0.000 0.525 400 R N 7.812 127.878 120.500 -0.724 0.000 2.312 400 R HA 0.315 4.655 4.340 -0.000 0.000 0.310 400 R C -2.733 173.145 176.300 -0.702 0.000 1.064 400 R CA -1.922 53.888 56.100 -0.485 0.000 0.983 400 R CB 0.802 30.937 30.300 -0.275 0.000 1.139 400 R HN 0.515 nan 8.270 nan 0.000 0.536 401 P HA -0.023 nan 4.420 nan 0.000 0.268 401 P C -0.384 176.825 177.300 -0.153 0.000 1.208 401 P CA 0.034 63.007 63.100 -0.211 0.000 0.777 401 P CB 0.714 32.431 31.700 0.027 0.000 0.875 402 K N 1.424 121.784 120.400 -0.067 0.000 2.139 402 K HA 0.246 4.566 4.320 -0.000 0.000 0.243 402 K C -0.126 176.467 176.600 -0.012 0.000 0.983 402 K CA -0.806 55.455 56.287 -0.043 0.000 0.890 402 K CB 0.619 33.105 32.500 -0.022 0.000 1.090 402 K HN 0.429 nan 8.250 nan 0.000 0.445 403 D N 0.236 120.630 120.400 -0.010 0.000 2.583 403 D HA -0.008 4.632 4.640 -0.000 0.000 0.232 403 D C 0.979 177.285 176.300 0.010 0.000 1.128 403 D CA 1.835 55.836 54.000 0.003 0.000 0.859 403 D CB 0.278 41.083 40.800 0.008 0.000 1.169 403 D HN 0.728 nan 8.370 nan 0.000 0.481 404 G N 3.098 111.905 108.800 0.011 0.000 2.155 404 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.257 404 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.257 404 G C 0.310 175.219 174.900 0.015 0.000 0.983 404 G CA 0.489 45.596 45.100 0.011 0.000 0.676 404 G HN 0.600 nan 8.290 nan 0.000 0.528 405 E N 0.414 120.628 120.200 0.023 0.000 2.366 405 E HA 0.437 4.787 4.350 -0.000 0.000 0.266 405 E C -0.107 176.507 176.600 0.024 0.000 1.051 405 E CA 0.130 56.551 56.400 0.036 0.000 0.884 405 E CB 0.672 30.417 29.700 0.074 0.000 1.006 405 E HN 0.125 nan 8.360 nan 0.000 0.417 406 T N 3.616 118.180 114.554 0.017 0.000 2.758 406 T HA 0.337 4.687 4.350 -0.000 0.000 0.285 406 T C -0.222 174.478 174.700 0.000 0.000 0.981 406 T CA -0.614 61.488 62.100 0.004 0.000 0.965 406 T CB 0.331 69.198 68.868 -0.002 0.000 0.927 406 T HN 0.202 nan 8.240 nan 0.000 0.448 407 I N 3.220 123.784 120.570 -0.009 0.000 2.354 407 I HA 0.383 4.553 4.170 -0.000 0.000 0.292 407 I C 0.466 176.564 176.117 -0.031 0.000 0.989 407 I CA -0.785 60.498 61.300 -0.030 0.000 1.188 407 I CB 1.470 39.451 38.000 -0.033 0.000 1.342 407 I HN 0.677 nan 8.210 nan 0.000 0.457 408 E N 6.956 127.139 120.200 -0.027 0.000 2.166 408 E HA 0.518 4.868 4.350 -0.000 0.000 0.275 408 E C -1.476 175.137 176.600 0.022 0.000 0.941 408 E CA -0.663 55.740 56.400 0.005 0.000 0.784 408 E CB 1.549 31.255 29.700 0.009 0.000 1.115 408 E HN 0.478 nan 8.360 nan 0.000 0.399 409 L N 5.032 126.304 121.223 0.081 0.000 2.265 409 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 409 L C 0.195 177.269 176.870 0.340 0.000 1.033 409 L CA -0.554 54.392 54.840 0.178 0.000 0.814 409 L CB 1.128 43.245 42.059 0.097 0.000 1.203 409 L HN 0.369 nan 8.230 nan 0.000 0.423 410 R N 3.546 124.195 120.500 0.248 0.000 2.476 410 R HA 0.414 4.754 4.340 -0.000 0.000 0.305 410 R C -1.296 174.825 176.300 -0.299 0.000 0.965 410 R CA -0.961 55.161 56.100 0.036 0.000 0.867 410 R CB 1.708 31.971 30.300 -0.063 0.000 1.176 410 R HN 0.459 nan 8.270 nan 0.000 0.447 411 L N 6.647 127.468 121.223 -0.671 0.000 2.385 411 L HA 0.224 4.564 4.340 -0.000 0.000 0.281 411 L C -0.651 175.876 176.870 -0.571 0.000 1.106 411 L CA 0.153 54.358 54.840 -1.059 0.000 0.856 411 L CB 1.014 42.297 42.059 -1.293 0.000 1.186 411 L HN 0.438 nan 8.230 nan 0.000 0.453 412 V N 1.948 121.519 119.914 -0.571 0.000 3.046 412 V HA 1.004 5.124 4.120 -0.000 0.000 0.316 412 V C 0.102 176.112 176.094 -0.141 0.000 1.104 412 V CA -0.356 61.734 62.300 -0.350 0.000 1.006 412 V CB 1.588 33.165 31.823 -0.409 0.000 1.058 412 V HN 0.784 nan 8.190 nan 0.000 0.440 413 G N 2.043 110.859 108.800 0.026 0.000 2.660 413 G HA2 0.588 4.548 3.960 -0.000 0.000 0.305 413 G HA3 0.588 4.548 3.960 -0.000 0.000 0.305 413 G C -1.001 174.065 174.900 0.277 0.000 1.329 413 G CA -0.592 44.608 45.100 0.166 0.000 1.000 413 G HN 1.266 nan 8.290 nan 0.000 0.514 414 W N 0.000 121.380 121.300 0.133 0.000 2.388 414 W HA 0.000 4.660 4.660 0.000 0.000 0.303 414 W CA 0.000 57.425 57.345 0.133 0.000 1.226 414 W CB 0.000 29.595 29.460 0.225 0.000 1.126 414 W HN 0.000 nan 8.180 nan 0.000 0.535