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 1u1h_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASHIVGYPRX GPKRELKFAL ESFWDGKSTA EDLQKVSADL RSSIWKQXSA DATA SEQUENCE AGTKFIPSNT FAHYDQVLDT TAXLGAVPPR YGYTGGEIGL DVYFSXARGN DATA SEQUENCE ASVPAXEXTK WFDTNYHYIV PELGPEVNFS YASHKAVNEY KEAKALGVDT DATA SEQUENCE VPVLVGPVSY LLLSKAAKGV DKSFELLSLL PKILPIYKEV ITELKAAGAT DATA SEQUENCE WIQLDEPVLV XDLEGQKLQA FTGAYAELES TLSGLNVLVE TYFADIPAEA DATA SEQUENCE YKTLTSLKGV TAFGFDLVRG TKTLDLVKAG FPEGKYLFAG VVDGRNIWAN DATA SEQUENCE DFAASLSTLQ ALEGIVGKDK LVVSTSCSLL HTAVDLINET KLDDEIKSWX DATA SEQUENCE AFAAQKVVEV NALAKALAGQ KDEALFSANA AALASRRSSP RVTNEGVQKA DATA SEQUENCE AAALKGSDHR RATNVSARLD AQQKKLNLPI LPTTTIGSFP QTVELRXXXX DATA SEQUENCE XXXXXXXXXE DYVKAIKEEI KKVVDLQEEL DIDVLVHGEP ERNDXVEYFG DATA SEQUENCE EQLSGFAFTA NGWVQSYGSR CVKPPVIYGD VSRPKAXTVF WSAXAQSXTS DATA SEQUENCE RPXKGXLTGP VTILNWSFVR NDQPRHETCY QIALAIKDEV EDLEKGGIGV DATA SEQUENCE IQIDEAALRE GLPLRKSEHA FYLDWAVHSF RITNCGVQDS TQIHTHXCYS DATA SEQUENCE HFNDIIHSII DXDADVITIE NSRSDEKLLS VFREGVKYGA GIGPGVYDIH DATA SEQUENCE SPRIPSSEEI ADRVNKXLAV LEQNILWVNP DCGLKTRKYT EVKPALKNXV DATA SEQUENCE DAAKLIRSQ 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.571 177.584 -0.022 0.000 1.274 2 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 2 A CB 0.000 19.022 19.000 0.036 0.000 0.831 3 S N 1.125 116.819 115.700 -0.011 0.000 2.600 3 S HA 0.926 5.397 4.470 0.001 0.000 0.300 3 S C -0.625 174.071 174.600 0.161 0.000 1.087 3 S CA -0.537 57.678 58.200 0.026 0.000 0.965 3 S CB 1.763 64.960 63.200 -0.005 0.000 1.089 3 S HN 1.506 nan 8.310 nan 0.000 0.496 4 H N 0.197 119.291 119.070 0.041 0.000 3.012 4 H HA 0.604 5.160 4.556 0.001 0.000 0.367 4 H C -2.064 173.339 175.328 0.124 0.000 1.211 4 H CA -0.854 55.276 56.048 0.137 0.000 1.139 4 H CB 1.548 31.385 29.762 0.125 0.000 1.838 4 H HN 0.711 nan 8.280 nan 0.000 0.550 5 I N 4.624 124.775 120.570 -0.699 0.000 2.478 5 I HA 0.058 4.228 4.170 0.001 0.000 0.287 5 I C 1.345 177.062 176.117 -0.667 0.000 1.042 5 I CA -0.565 60.459 61.300 -0.461 0.000 1.067 5 I CB 2.356 40.291 38.000 -0.107 0.000 1.233 5 I HN 0.503 nan 8.210 nan 0.000 0.431 6 V N 5.219 124.935 119.914 -0.330 0.000 2.667 6 V HA 0.333 4.453 4.120 0.001 0.000 0.252 6 V C 0.667 176.773 176.094 0.021 0.000 1.065 6 V CA 1.855 64.142 62.300 -0.020 0.000 1.083 6 V CB -0.286 31.613 31.823 0.126 0.000 0.692 6 V HN 0.873 nan 8.190 nan 0.000 0.468 7 G N -2.057 106.743 108.800 -0.001 0.000 2.466 7 G HA2 0.487 4.447 3.960 0.001 0.000 0.291 7 G HA3 0.487 4.447 3.960 0.001 0.000 0.291 7 G C -2.397 172.555 174.900 0.086 0.000 1.460 7 G CA -0.340 44.781 45.100 0.035 0.000 0.791 7 G HN 0.248 nan 8.290 nan 0.000 0.505 8 Y N 0.001 120.254 120.300 -0.077 0.000 2.562 8 Y HA 0.645 5.195 4.550 0.001 0.000 0.345 8 Y C -2.383 173.442 175.900 -0.124 0.000 1.045 8 Y CA -1.792 56.258 58.100 -0.083 0.000 1.028 8 Y CB 2.819 41.249 38.460 -0.049 0.000 1.297 8 Y HN 0.476 nan 8.280 nan 0.000 0.463 9 P HA 0.209 nan 4.420 nan 0.000 0.269 9 P C -1.082 176.141 177.300 -0.128 0.000 1.215 9 P CA -0.072 62.814 63.100 -0.358 0.000 0.780 9 P CB 0.512 31.949 31.700 -0.439 0.000 0.898 13 P HA -0.014 nan 4.420 nan 0.000 0.218 13 P C 0.900 178.269 177.300 0.114 0.000 1.148 13 P CA 1.165 64.325 63.100 0.099 0.000 0.822 13 P CB 0.309 32.063 31.700 0.090 0.000 0.784 14 K N -1.166 119.287 120.400 0.089 0.000 2.896 14 K HA 0.253 4.573 4.320 0.001 0.000 0.210 14 K C -0.183 176.445 176.600 0.047 0.000 1.116 14 K CA -0.351 56.001 56.287 0.108 0.000 1.050 14 K CB 0.392 32.965 32.500 0.122 0.000 0.812 14 K HN 0.015 nan 8.250 nan 0.000 0.462 15 R N 0.570 121.030 120.500 -0.067 0.000 3.416 15 R HA -0.214 4.127 4.340 0.001 0.000 0.263 15 R C 0.365 176.505 176.300 -0.266 0.000 1.053 15 R CA 0.591 56.527 56.100 -0.274 0.000 0.705 15 R CB -1.497 28.453 30.300 -0.584 0.000 1.124 15 R HN 0.259 nan 8.270 nan 0.000 0.444 16 E N 0.475 120.640 120.200 -0.057 0.000 2.070 16 E HA -0.208 4.142 4.350 0.001 0.000 0.197 16 E C 1.762 178.329 176.600 -0.054 0.000 1.004 16 E CA 1.625 58.039 56.400 0.024 0.000 0.805 16 E CB -0.057 29.667 29.700 0.039 0.000 0.744 16 E HN 0.380 nan 8.360 nan 0.000 0.451 17 L N 1.240 122.404 121.223 -0.099 0.000 2.131 17 L HA -0.192 4.148 4.340 0.001 0.000 0.210 17 L C 2.100 178.817 176.870 -0.254 0.000 1.092 17 L CA 1.809 56.582 54.840 -0.112 0.000 0.759 17 L CB -0.322 41.691 42.059 -0.077 0.000 0.903 17 L HN 0.024 nan 8.230 nan 0.000 0.435 18 K N -1.051 119.102 120.400 -0.413 0.000 2.032 18 K HA -0.224 4.096 4.320 0.001 0.000 0.209 18 K C 2.026 178.324 176.600 -0.503 0.000 1.048 18 K CA 2.022 57.971 56.287 -0.563 0.000 0.927 18 K CB -0.353 31.638 32.500 -0.849 0.000 0.712 18 K HN 0.276 nan 8.250 nan 0.000 0.441 19 F N 0.925 120.763 119.950 -0.187 0.000 2.259 19 F HA 0.045 4.573 4.527 0.001 0.000 0.298 19 F C 2.497 178.198 175.800 -0.165 0.000 1.088 19 F CA 0.781 58.685 58.000 -0.159 0.000 1.358 19 F CB -0.882 38.046 39.000 -0.121 0.000 1.040 19 F HN 0.148 nan 8.300 nan 0.000 0.505 20 A N 0.354 123.160 122.820 -0.023 0.000 1.873 20 A HA -0.090 4.230 4.320 0.001 0.000 0.215 20 A C 2.275 179.732 177.584 -0.211 0.000 1.186 20 A CA 1.301 53.296 52.037 -0.069 0.000 0.616 20 A CB -1.070 17.897 19.000 -0.056 0.000 0.823 20 A HN 0.357 nan 8.150 nan 0.000 0.442 21 L N -1.021 119.952 121.223 -0.417 0.000 2.017 21 L HA -0.194 4.146 4.340 0.001 0.000 0.208 21 L C 2.612 178.833 176.870 -1.083 0.000 1.073 21 L CA 1.745 56.034 54.840 -0.918 0.000 0.745 21 L CB -0.472 40.874 42.059 -1.189 0.000 0.894 21 L HN 0.436 nan 8.230 nan 0.000 0.432 22 E N -0.868 118.979 120.200 -0.590 0.000 2.150 22 E HA -0.205 4.146 4.350 0.001 0.000 0.193 22 E C 2.346 178.921 176.600 -0.043 0.000 0.985 22 E CA 1.220 57.520 56.400 -0.167 0.000 0.814 22 E CB 0.052 29.753 29.700 0.001 0.000 0.752 22 E HN 0.261 nan 8.360 nan 0.000 0.466 23 S N -0.377 115.291 115.700 -0.053 0.000 2.355 23 S HA -0.164 4.306 4.470 0.001 0.000 0.222 23 S C 1.717 176.324 174.600 0.012 0.000 1.031 23 S CA 0.954 59.155 58.200 0.003 0.000 0.993 23 S CB -0.308 62.904 63.200 0.018 0.000 0.859 23 S HN 0.376 nan 8.310 nan 0.000 0.453 24 F N 1.473 121.323 119.950 -0.167 0.000 2.102 24 F HA -0.078 4.450 4.527 0.001 0.000 0.298 24 F C 1.830 177.622 175.800 -0.014 0.000 1.105 24 F CA 1.774 59.700 58.000 -0.124 0.000 1.239 24 F CB -0.602 38.266 39.000 -0.220 0.000 0.991 24 F HN 0.324 nan 8.300 nan 0.000 0.474 25 W N 1.170 122.364 121.300 -0.176 0.000 2.342 25 W HA -0.181 4.479 4.660 0.001 0.000 0.297 25 W C 1.992 178.363 176.519 -0.248 0.000 1.213 25 W CA 1.346 58.519 57.345 -0.288 0.000 1.251 25 W CB -1.349 28.007 29.460 -0.174 0.000 1.136 25 W HN 0.134 nan 8.180 nan 0.000 0.526 26 D N -1.279 119.153 120.400 0.053 0.000 2.355 26 D HA 0.097 4.738 4.640 0.001 0.000 0.218 26 D C 1.949 178.216 176.300 -0.054 0.000 1.004 26 D CA 1.443 55.447 54.000 0.007 0.000 0.880 26 D CB -0.244 40.572 40.800 0.027 0.000 0.911 26 D HN 0.209 nan 8.370 nan 0.000 0.528 27 G N 1.479 110.203 108.800 -0.127 0.000 2.147 27 G HA2 -0.337 3.623 3.960 0.001 0.000 0.244 27 G HA3 -0.337 3.623 3.960 0.001 0.000 0.244 27 G C 0.856 175.723 174.900 -0.055 0.000 1.005 27 G CA 0.205 45.227 45.100 -0.129 0.000 0.713 27 G HN 0.364 nan 8.290 nan 0.000 0.515 28 K N 0.027 120.409 120.400 -0.030 0.000 2.387 28 K HA 0.338 4.658 4.320 0.001 0.000 0.198 28 K C 0.777 177.386 176.600 0.015 0.000 1.022 28 K CA 0.810 57.094 56.287 -0.006 0.000 1.128 28 K CB 0.450 32.948 32.500 -0.004 0.000 0.853 28 K HN 0.730 nan 8.250 nan 0.000 0.523 29 S N -0.559 115.164 115.700 0.037 0.000 2.547 29 S HA 0.254 4.724 4.470 0.001 0.000 0.270 29 S C -0.209 174.488 174.600 0.161 0.000 1.150 29 S CA -1.038 57.212 58.200 0.082 0.000 0.850 29 S CB 1.545 64.797 63.200 0.087 0.000 1.118 29 S HN 0.143 nan 8.310 nan 0.000 0.461 30 T N -0.877 113.776 114.554 0.166 0.000 2.824 30 T HA 0.709 5.059 4.350 0.001 0.000 0.277 30 T C 1.636 176.524 174.700 0.313 0.000 0.975 30 T CA -0.245 61.992 62.100 0.230 0.000 0.966 30 T CB 0.557 69.505 68.868 0.132 0.000 1.054 30 T HN 1.338 nan 8.240 nan 0.000 0.533 31 A N 0.224 123.227 122.820 0.306 0.000 1.902 31 A HA -0.062 4.258 4.320 0.001 0.000 0.217 31 A C 2.298 179.869 177.584 -0.023 0.000 1.181 31 A CA 1.585 53.666 52.037 0.074 0.000 0.623 31 A CB -1.068 18.003 19.000 0.119 0.000 0.818 31 A HN 0.959 nan 8.150 nan 0.000 0.443 32 E N 0.020 120.239 120.200 0.032 0.000 2.085 32 E HA -0.203 4.147 4.350 0.001 0.000 0.194 32 E C 1.427 178.026 176.600 -0.001 0.000 0.994 32 E CA 1.249 57.653 56.400 0.008 0.000 0.801 32 E CB -0.328 29.384 29.700 0.020 0.000 0.743 32 E HN 0.579 nan 8.360 nan 0.000 0.453 33 D N 1.078 121.491 120.400 0.022 0.000 2.149 33 D HA -0.166 4.475 4.640 0.001 0.000 0.198 33 D C 2.064 178.358 176.300 -0.010 0.000 0.990 33 D CA 0.644 54.654 54.000 0.016 0.000 0.839 33 D CB -0.199 40.627 40.800 0.043 0.000 0.948 33 D HN 0.163 nan 8.370 nan 0.000 0.460 34 L N 0.754 121.949 121.223 -0.047 0.000 2.056 34 L HA -0.179 4.161 4.340 0.001 0.000 0.207 34 L C 2.345 179.177 176.870 -0.063 0.000 1.078 34 L CA 1.138 55.911 54.840 -0.112 0.000 0.749 34 L CB -0.065 41.793 42.059 -0.335 0.000 0.901 34 L HN -0.031 nan 8.230 nan 0.000 0.433 35 Q N -0.032 119.731 119.800 -0.062 0.000 2.124 35 Q HA -0.258 4.082 4.340 0.001 0.000 0.202 35 Q C 2.040 178.015 176.000 -0.042 0.000 0.977 35 Q CA 1.406 57.192 55.803 -0.028 0.000 0.850 35 Q CB -0.246 28.472 28.738 -0.034 0.000 0.901 35 Q HN 0.313 nan 8.270 nan 0.000 0.429 36 K N 0.876 121.256 120.400 -0.034 0.000 2.057 36 K HA -0.077 4.243 4.320 0.001 0.000 0.207 36 K C 1.947 178.524 176.600 -0.038 0.000 1.049 36 K CA 1.040 57.306 56.287 -0.034 0.000 0.931 36 K CB -0.456 32.032 32.500 -0.019 0.000 0.714 36 K HN -0.002 nan 8.250 nan 0.000 0.440 37 V N 0.605 120.505 119.914 -0.022 0.000 2.427 37 V HA -0.192 3.929 4.120 0.001 0.000 0.248 37 V C 2.131 178.216 176.094 -0.016 0.000 1.051 37 V CA 2.006 64.301 62.300 -0.010 0.000 1.048 37 V CB -0.397 31.431 31.823 0.008 0.000 0.666 37 V HN 0.349 nan 8.190 nan 0.000 0.456 38 S N 0.288 115.977 115.700 -0.017 0.000 2.355 38 S HA -0.119 4.351 4.470 0.001 0.000 0.222 38 S C 2.224 176.598 174.600 -0.377 0.000 1.031 38 S CA 1.358 59.485 58.200 -0.122 0.000 0.993 38 S CB -0.438 62.745 63.200 -0.028 0.000 0.859 38 S HN 0.642 nan 8.310 nan 0.000 0.453 39 A N 1.994 124.657 122.820 -0.261 0.000 1.898 39 A HA -0.143 4.178 4.320 0.001 0.000 0.216 39 A C 1.811 179.274 177.584 -0.202 0.000 1.181 39 A CA 1.603 53.492 52.037 -0.248 0.000 0.620 39 A CB -0.659 18.260 19.000 -0.134 0.000 0.819 39 A HN 0.329 nan 8.150 nan 0.000 0.442 40 D N -0.437 119.883 120.400 -0.133 0.000 2.144 40 D HA -0.118 4.523 4.640 0.001 0.000 0.199 40 D C 1.791 178.013 176.300 -0.129 0.000 0.984 40 D CA 0.881 54.822 54.000 -0.099 0.000 0.834 40 D CB -0.284 40.482 40.800 -0.056 0.000 0.955 40 D HN 0.281 nan 8.370 nan 0.000 0.465 41 L N 1.268 122.406 121.223 -0.141 0.000 2.046 41 L HA -0.103 4.237 4.340 0.001 0.000 0.208 41 L C 2.208 178.917 176.870 -0.269 0.000 1.077 41 L CA 1.585 56.351 54.840 -0.123 0.000 0.747 41 L CB -0.416 41.639 42.059 -0.006 0.000 0.896 41 L HN -0.087 nan 8.230 nan 0.000 0.432 42 R N -1.526 118.683 120.500 -0.485 0.000 2.075 42 R HA -0.124 4.217 4.340 0.001 0.000 0.232 42 R C 2.449 178.225 176.300 -0.873 0.000 1.126 42 R CA 1.375 56.903 56.100 -0.953 0.000 0.963 42 R CB -0.653 28.892 30.300 -1.257 0.000 0.858 42 R HN 0.398 nan 8.270 nan 0.000 0.435 43 S N 0.353 115.842 115.700 -0.351 0.000 2.359 43 S HA -0.197 4.273 4.470 0.001 0.000 0.224 43 S C 2.118 176.690 174.600 -0.047 0.000 1.035 43 S CA 1.931 60.121 58.200 -0.017 0.000 1.018 43 S CB -0.265 62.938 63.200 0.005 0.000 0.876 43 S HN 0.314 nan 8.310 nan 0.000 0.448 44 S N 0.596 116.226 115.700 -0.117 0.000 2.359 44 S HA -0.075 4.395 4.470 0.001 0.000 0.224 44 S C 1.868 176.390 174.600 -0.130 0.000 1.035 44 S CA 1.446 59.593 58.200 -0.090 0.000 1.018 44 S CB -0.531 62.624 63.200 -0.075 0.000 0.876 44 S HN 0.523 nan 8.310 nan 0.000 0.448 45 I N 0.673 121.095 120.570 -0.248 0.000 2.142 45 I HA -0.134 4.036 4.170 0.001 0.000 0.240 45 I C 2.275 178.240 176.117 -0.252 0.000 1.078 45 I CA 1.009 62.091 61.300 -0.364 0.000 1.343 45 I CB -1.836 35.865 38.000 -0.498 0.000 1.046 45 I HN 0.475 nan 8.210 nan 0.000 0.405 46 W N 1.826 123.026 121.300 -0.168 0.000 2.335 46 W HA -0.167 4.493 4.660 0.001 0.000 0.311 46 W C 2.638 179.077 176.519 -0.134 0.000 1.213 46 W CA 0.887 58.143 57.345 -0.148 0.000 1.274 46 W CB -1.164 28.224 29.460 -0.120 0.000 1.148 46 W HN 0.230 nan 8.180 nan 0.000 0.498 47 K N 0.028 120.503 120.400 0.124 0.000 2.097 47 K HA -0.147 4.173 4.320 0.001 0.000 0.205 47 K C 1.432 178.029 176.600 -0.005 0.000 1.050 47 K CA 0.666 56.977 56.287 0.040 0.000 0.938 47 K CB -0.322 32.193 32.500 0.025 0.000 0.718 47 K HN 0.146 nan 8.250 nan 0.000 0.442 51 A N 1.735 124.537 122.820 -0.029 0.000 2.024 51 A HA 0.274 4.595 4.320 0.001 0.000 0.220 51 A C 2.115 179.686 177.584 -0.021 0.000 1.164 51 A CA 2.172 54.195 52.037 -0.024 0.000 0.643 51 A CB -1.009 17.980 19.000 -0.017 0.000 0.806 51 A HN 1.134 nan 8.150 nan 0.000 0.451 52 A N -2.115 120.691 122.820 -0.023 0.000 2.119 52 A HA 0.366 4.687 4.320 0.001 0.000 0.217 52 A C 1.936 179.507 177.584 -0.020 0.000 1.153 52 A CA 1.436 53.464 52.037 -0.015 0.000 0.692 52 A CB -0.724 18.269 19.000 -0.013 0.000 0.799 52 A HN 1.867 nan 8.150 nan 0.000 0.458 53 G N -2.078 106.701 108.800 -0.035 0.000 2.179 53 G HA2 -0.197 3.763 3.960 0.001 0.000 0.220 53 G HA3 -0.197 3.763 3.960 0.001 0.000 0.220 53 G C 0.337 175.197 174.900 -0.067 0.000 0.990 53 G CA 0.163 45.236 45.100 -0.046 0.000 0.646 53 G HN 0.666 nan 8.290 nan 0.000 0.517 54 T N 0.814 115.330 114.554 -0.062 0.000 2.871 54 T HA 0.308 4.658 4.350 0.001 0.000 0.296 54 T C 1.348 175.965 174.700 -0.138 0.000 0.998 54 T CA 0.990 63.048 62.100 -0.070 0.000 1.162 54 T CB 1.897 70.739 68.868 -0.043 0.000 0.947 54 T HN 0.466 nan 8.240 nan 0.000 0.536 55 K N 1.874 122.143 120.400 -0.218 0.000 2.202 55 K HA 0.104 4.424 4.320 0.001 0.000 0.201 55 K C -0.222 175.980 176.600 -0.664 0.000 1.051 55 K CA 0.564 56.557 56.287 -0.490 0.000 0.977 55 K CB 0.259 32.328 32.500 -0.718 0.000 0.792 55 K HN 0.506 nan 8.250 nan 0.000 0.469 56 F N 2.026 121.920 119.950 -0.092 0.000 2.291 56 F HA 0.386 4.913 4.527 0.001 0.000 0.368 56 F C -0.435 175.392 175.800 0.045 0.000 1.085 56 F CA -0.728 57.256 58.000 -0.026 0.000 1.165 56 F CB 0.723 39.771 39.000 0.080 0.000 1.429 56 F HN -0.143 nan 8.300 nan 0.000 0.503 57 I N 5.969 126.601 120.570 0.103 0.000 2.315 57 I HA 0.284 4.455 4.170 0.001 0.000 0.291 57 I C -2.127 174.075 176.117 0.142 0.000 1.006 57 I CA -2.161 59.189 61.300 0.083 0.000 1.265 57 I CB 1.434 39.441 38.000 0.011 0.000 1.387 57 I HN 0.224 nan 8.210 nan 0.000 0.475 58 P HA 0.116 nan 4.420 nan 0.000 0.275 58 P C -0.853 176.653 177.300 0.345 0.000 1.227 58 P CA -0.228 63.012 63.100 0.233 0.000 0.781 58 P CB 1.272 33.087 31.700 0.193 0.000 0.906 59 S N 1.116 117.002 115.700 0.310 0.000 2.542 59 S HA 0.481 4.951 4.470 0.001 0.000 0.293 59 S C 0.213 175.004 174.600 0.318 0.000 1.089 59 S CA -0.525 57.925 58.200 0.416 0.000 0.961 59 S CB 1.196 64.514 63.200 0.196 0.000 1.062 59 S HN 0.536 nan 8.310 nan 0.000 0.483 60 N N -0.128 118.774 118.700 0.338 0.000 3.003 60 N HA -0.170 4.570 4.740 0.001 0.000 0.237 60 N C 0.694 176.318 175.510 0.190 0.000 0.969 60 N CA 1.584 54.772 53.050 0.231 0.000 0.941 60 N CB -1.868 36.722 38.487 0.172 0.000 1.098 60 N HN 0.815 nan 8.380 nan 0.000 0.563 61 T N -2.285 112.391 114.554 0.204 0.000 3.014 61 T HA 0.072 4.422 4.350 0.001 0.000 0.263 61 T C 0.842 175.590 174.700 0.080 0.000 1.078 61 T CA 0.390 62.563 62.100 0.122 0.000 1.135 61 T CB -0.172 68.771 68.868 0.125 0.000 0.895 61 T HN 0.351 nan 8.240 nan 0.000 0.480 62 F N 3.124 123.060 119.950 -0.023 0.000 2.553 62 F HA 0.411 4.938 4.527 0.001 0.000 0.356 62 F C 0.172 175.927 175.800 -0.075 0.000 1.142 62 F CA -0.702 57.249 58.000 -0.082 0.000 1.322 62 F CB 0.110 39.019 39.000 -0.152 0.000 1.126 62 F HN 0.264 nan 8.300 nan 0.000 0.599 63 A N 4.223 126.520 122.820 -0.871 0.000 2.566 63 A HA 0.314 4.635 4.320 0.001 0.000 0.297 63 A C -0.459 176.809 177.584 -0.528 0.000 1.059 63 A CA -0.596 51.186 52.037 -0.426 0.000 0.691 63 A CB 0.502 19.439 19.000 -0.106 0.000 1.282 63 A HN 0.974 nan 8.150 nan 0.000 0.401 64 H N -0.188 118.850 119.070 -0.055 0.000 2.512 64 H HA 0.073 4.629 4.556 0.001 0.000 0.279 64 H C 0.785 176.408 175.328 0.492 0.000 0.999 64 H CA 2.267 58.430 56.048 0.192 0.000 1.283 64 H CB 0.396 30.330 29.762 0.288 0.000 1.421 64 H HN 0.746 nan 8.280 nan 0.000 0.554 65 Y N -1.122 119.487 120.300 0.515 0.000 3.189 65 Y HA 0.125 4.675 4.550 0.001 0.000 0.213 65 Y C -1.012 175.088 175.900 0.334 0.000 1.032 65 Y CA -0.144 58.231 58.100 0.459 0.000 1.482 65 Y CB 1.428 40.193 38.460 0.507 0.000 1.460 65 Y HN 0.007 nan 8.280 nan 0.000 0.398 66 D N -0.647 120.092 120.400 0.566 0.000 2.837 66 D HA 0.146 4.786 4.640 0.001 0.000 0.220 66 D C 0.380 176.869 176.300 0.315 0.000 1.236 66 D CA -0.248 54.014 54.000 0.436 0.000 0.838 66 D CB 1.236 42.331 40.800 0.492 0.000 1.647 66 D HN 0.170 nan 8.370 nan 0.000 0.486 67 Q N 1.891 121.796 119.800 0.175 0.000 2.084 67 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 67 Q C 1.369 177.480 176.000 0.184 0.000 0.978 67 Q CA 1.660 57.529 55.803 0.111 0.000 0.844 67 Q CB -0.571 28.151 28.738 -0.026 0.000 0.898 67 Q HN 0.390 nan 8.270 nan 0.000 0.426 68 V N 2.120 122.167 119.914 0.222 0.000 2.295 68 V HA -0.235 3.886 4.120 0.001 0.000 0.246 68 V C 2.565 178.872 176.094 0.355 0.000 1.049 68 V CA 1.533 64.027 62.300 0.324 0.000 1.024 68 V CB -0.772 31.261 31.823 0.350 0.000 0.648 68 V HN 0.317 nan 8.190 nan 0.000 0.447 69 L N -0.057 121.357 121.223 0.318 0.000 2.127 69 L HA -0.220 4.120 4.340 0.001 0.000 0.211 69 L C 2.330 179.383 176.870 0.305 0.000 1.089 69 L CA 1.856 56.837 54.840 0.235 0.000 0.757 69 L CB -0.501 41.600 42.059 0.070 0.000 0.899 69 L HN 0.404 nan 8.230 nan 0.000 0.434 70 D N -0.907 119.696 120.400 0.337 0.000 2.097 70 D HA -0.209 4.432 4.640 0.001 0.000 0.195 70 D C 2.075 178.455 176.300 0.134 0.000 0.989 70 D CA 1.993 56.151 54.000 0.264 0.000 0.827 70 D CB -0.236 40.667 40.800 0.172 0.000 0.966 70 D HN 0.326 nan 8.370 nan 0.000 0.456 71 T N -1.016 113.600 114.554 0.102 0.000 2.915 71 T HA -0.099 4.251 4.350 0.001 0.000 0.269 71 T C 1.865 176.499 174.700 -0.109 0.000 1.071 71 T CA 1.750 63.807 62.100 -0.071 0.000 1.132 71 T CB -0.317 68.485 68.868 -0.110 0.000 0.878 71 T HN -0.036 nan 8.240 nan 0.000 0.479 72 T N 1.906 116.532 114.554 0.121 0.000 2.821 72 T HA 0.329 4.680 4.350 0.001 0.000 0.267 72 T C 1.187 175.949 174.700 0.104 0.000 1.046 72 T CA 0.805 63.022 62.100 0.196 0.000 1.139 72 T CB -0.555 68.484 68.868 0.284 0.000 0.871 72 T HN 0.689 nan 8.240 nan 0.000 0.454 76 G N 1.414 110.306 108.800 0.153 0.000 2.212 76 G HA2 -0.323 3.637 3.960 0.001 0.000 0.267 76 G HA3 -0.323 3.637 3.960 0.001 0.000 0.267 76 G C 0.578 175.551 174.900 0.123 0.000 1.002 76 G CA 0.590 45.771 45.100 0.135 0.000 0.729 76 G HN 0.626 nan 8.290 nan 0.000 0.517 77 A N -0.091 122.829 122.820 0.167 0.000 3.074 77 A HA 0.569 4.889 4.320 0.001 0.000 0.251 77 A C 0.825 178.447 177.584 0.064 0.000 1.695 77 A CA 0.569 52.661 52.037 0.092 0.000 1.343 77 A CB -0.048 19.153 19.000 0.335 0.000 1.078 77 A HN 1.703 nan 8.150 nan 0.000 0.644 78 V N 1.028 120.954 119.914 0.019 0.000 2.465 78 V HA 0.479 4.600 4.120 0.001 0.000 0.279 78 V C -2.484 173.693 176.094 0.138 0.000 1.045 78 V CA -2.176 60.140 62.300 0.028 0.000 0.938 78 V CB 0.993 32.736 31.823 -0.133 0.000 0.986 78 V HN 0.501 nan 8.190 nan 0.000 0.467 79 P HA 0.186 nan 4.420 nan 0.000 0.266 79 P C -2.177 175.224 177.300 0.168 0.000 1.193 79 P CA -0.786 62.427 63.100 0.189 0.000 0.770 79 P CB -0.005 31.835 31.700 0.234 0.000 0.836 80 P HA -0.216 nan 4.420 nan 0.000 0.216 80 P C 1.301 178.591 177.300 -0.016 0.000 1.157 80 P CA 1.643 64.757 63.100 0.023 0.000 0.880 80 P CB -0.202 31.487 31.700 -0.019 0.000 0.791 81 R N -1.672 118.747 120.500 -0.135 0.000 2.261 81 R HA -0.166 4.174 4.340 0.001 0.000 0.236 81 R C 1.241 177.374 176.300 -0.279 0.000 1.141 81 R CA 1.492 57.443 56.100 -0.248 0.000 1.001 81 R CB -1.432 28.638 30.300 -0.384 0.000 0.866 81 R HN 0.246 nan 8.270 nan 0.000 0.468 82 Y N 0.786 121.103 120.300 0.029 0.000 2.511 82 Y HA 0.281 4.831 4.550 0.001 0.000 0.279 82 Y C 1.648 177.594 175.900 0.077 0.000 1.157 82 Y CA 0.279 58.406 58.100 0.046 0.000 1.300 82 Y CB 0.148 38.634 38.460 0.044 0.000 1.052 82 Y HN 0.338 nan 8.280 nan 0.000 0.529 83 G N 0.473 109.378 108.800 0.176 0.000 2.341 83 G HA2 -0.382 3.578 3.960 0.001 0.000 0.292 83 G HA3 -0.382 3.578 3.960 0.001 0.000 0.292 83 G C -0.103 174.903 174.900 0.177 0.000 1.021 83 G CA 0.301 45.481 45.100 0.133 0.000 0.905 83 G HN 0.472 nan 8.290 nan 0.000 0.508 84 Y N 0.817 121.175 120.300 0.096 0.000 2.411 84 Y HA 0.457 5.007 4.550 0.001 0.000 0.333 84 Y C 1.335 177.265 175.900 0.051 0.000 1.186 84 Y CA 0.263 58.408 58.100 0.075 0.000 1.381 84 Y CB 1.258 39.766 38.460 0.079 0.000 1.273 84 Y HN 0.415 nan 8.280 nan 0.000 0.546 85 T N 2.079 116.263 114.554 -0.616 0.000 3.339 85 T HA 0.588 4.938 4.350 0.001 0.000 0.292 85 T C 0.273 174.556 174.700 -0.694 0.000 1.012 85 T CA -0.020 61.766 62.100 -0.524 0.000 0.937 85 T CB -0.846 67.893 68.868 -0.216 0.000 1.164 85 T HN 1.532 nan 8.240 nan 0.000 0.509 86 G N -0.454 107.451 108.800 -1.491 0.000 2.707 86 G HA2 0.436 4.396 3.960 0.001 0.000 0.686 86 G HA3 0.436 4.396 3.960 0.001 0.000 0.686 86 G C 0.082 174.870 174.900 -0.187 0.000 1.315 86 G CA -0.282 44.424 45.100 -0.656 0.000 0.832 86 G HN 2.093 nan 8.290 nan 0.000 0.573 87 G N -0.807 108.043 108.800 0.084 0.000 2.663 87 G HA2 0.416 4.377 3.960 0.001 0.000 0.686 87 G HA3 0.416 4.377 3.960 0.001 0.000 0.686 87 G C -0.201 174.832 174.900 0.222 0.000 1.288 87 G CA 0.792 45.966 45.100 0.123 0.000 0.836 87 G HN 2.149 nan 8.290 nan 0.000 0.584 88 E N -0.196 120.079 120.200 0.125 0.000 2.498 88 E HA 0.316 4.666 4.350 0.001 0.000 0.252 88 E C 1.136 177.811 176.600 0.125 0.000 1.025 88 E CA -0.043 56.423 56.400 0.109 0.000 0.938 88 E CB 0.040 29.755 29.700 0.023 0.000 0.947 88 E HN 0.503 nan 8.360 nan 0.000 0.478 89 I N 4.114 124.744 120.570 0.100 0.000 2.648 89 I HA 0.207 4.377 4.170 0.001 0.000 0.284 89 I C 1.104 177.232 176.117 0.018 0.000 1.153 89 I CA 0.560 61.878 61.300 0.029 0.000 1.426 89 I CB 0.761 38.708 38.000 -0.088 0.000 1.381 89 I HN 0.593 nan 8.210 nan 0.000 0.571 90 G N 4.661 113.478 108.800 0.028 0.000 3.108 90 G HA2 0.474 4.434 3.960 0.001 0.000 0.268 90 G HA3 0.474 4.434 3.960 0.001 0.000 0.268 90 G C 0.674 175.574 174.900 -0.000 0.000 1.361 90 G CA -0.720 44.386 45.100 0.010 0.000 1.047 90 G HN 0.567 nan 8.290 nan 0.000 0.540 91 L N -0.182 121.032 121.223 -0.016 0.000 2.034 91 L HA -0.205 4.135 4.340 0.001 0.000 0.217 91 L C 2.483 179.442 176.870 0.147 0.000 1.077 91 L CA 1.749 56.564 54.840 -0.041 0.000 0.769 91 L CB -0.433 41.669 42.059 0.070 0.000 0.890 91 L HN 0.493 nan 8.230 nan 0.000 0.435 92 D N -0.041 120.493 120.400 0.222 0.000 2.182 92 D HA -0.198 4.442 4.640 0.001 0.000 0.193 92 D C 2.201 178.586 176.300 0.142 0.000 0.999 92 D CA 1.862 56.000 54.000 0.230 0.000 0.850 92 D CB -0.470 40.438 40.800 0.180 0.000 0.994 92 D HN 0.138 nan 8.370 nan 0.000 0.450 93 V N 0.530 120.488 119.914 0.073 0.000 2.324 93 V HA -0.290 3.831 4.120 0.001 0.000 0.250 93 V C 2.268 178.293 176.094 -0.116 0.000 1.060 93 V CA 1.728 64.005 62.300 -0.039 0.000 1.042 93 V CB -0.758 31.021 31.823 -0.074 0.000 0.650 93 V HN 0.206 nan 8.190 nan 0.000 0.450 94 Y N 0.234 120.417 120.300 -0.194 0.000 2.070 94 Y HA -0.248 4.303 4.550 0.001 0.000 0.280 94 Y C 2.223 178.006 175.900 -0.196 0.000 1.148 94 Y CA 1.927 59.879 58.100 -0.247 0.000 1.125 94 Y CB -0.437 37.828 38.460 -0.325 0.000 0.975 94 Y HN 0.224 nan 8.280 nan 0.000 0.492 95 F N -0.292 119.727 119.950 0.116 0.000 2.293 95 F HA -0.033 4.495 4.527 0.001 0.000 0.300 95 F C 2.047 177.720 175.800 -0.212 0.000 1.086 95 F CA 0.916 58.904 58.000 -0.019 0.000 1.375 95 F CB -1.233 37.930 39.000 0.271 0.000 1.045 95 F HN -0.081 nan 8.300 nan 0.000 0.516 99 R N -0.119 120.137 120.500 -0.407 0.000 2.541 99 R HA 0.527 4.867 4.340 0.001 0.000 0.332 99 R C 0.999 177.197 176.300 -0.170 0.000 0.951 99 R CA 0.387 56.307 56.100 -0.300 0.000 1.136 99 R CB 0.523 30.566 30.300 -0.429 0.000 1.449 99 R HN 1.650 nan 8.270 nan 0.000 0.531 100 G N 1.957 110.706 108.800 -0.084 0.000 2.796 100 G HA2 -0.316 3.644 3.960 0.001 0.000 0.226 100 G HA3 -0.316 3.644 3.960 0.001 0.000 0.226 100 G C -0.845 174.054 174.900 -0.002 0.000 1.381 100 G CA -0.107 45.011 45.100 0.029 0.000 0.867 100 G HN 0.614 nan 8.290 nan 0.000 0.552 101 N N -2.438 116.278 118.700 0.026 0.000 3.278 101 N HA 0.759 5.499 4.740 0.001 0.000 0.307 101 N C 1.234 176.741 175.510 -0.006 0.000 1.551 101 N CA 0.560 53.614 53.050 0.007 0.000 0.794 101 N CB 0.618 39.133 38.487 0.047 0.000 1.770 101 N HN 1.636 nan 8.380 nan 0.000 0.612 102 A N -0.872 121.945 122.820 -0.006 0.000 2.186 102 A HA -0.029 4.292 4.320 0.001 0.000 0.219 102 A C 1.050 178.628 177.584 -0.009 0.000 1.159 102 A CA 1.986 54.016 52.037 -0.010 0.000 0.680 102 A CB -1.076 17.921 19.000 -0.006 0.000 0.787 102 A HN 0.880 nan 8.150 nan 0.000 0.467 103 S N -3.100 112.597 115.700 -0.005 0.000 2.893 103 S HA 0.479 4.950 4.470 0.001 0.000 0.258 103 S C -0.245 174.337 174.600 -0.031 0.000 1.034 103 S CA 0.019 58.210 58.200 -0.014 0.000 1.167 103 S CB 0.244 63.440 63.200 -0.008 0.000 1.137 103 S HN 0.226 nan 8.310 nan 0.000 0.650 104 V N 3.642 123.539 119.914 -0.028 0.000 2.777 104 V HA 0.554 4.674 4.120 0.001 0.000 0.306 104 V C -2.642 173.424 176.094 -0.048 0.000 1.112 104 V CA -1.836 60.419 62.300 -0.074 0.000 0.917 104 V CB 2.609 34.355 31.823 -0.128 0.000 1.018 104 V HN 0.150 nan 8.190 nan 0.000 0.426 105 P HA 0.352 nan 4.420 nan 0.000 0.272 105 P C -0.383 176.924 177.300 0.013 0.000 1.230 105 P CA 0.005 63.078 63.100 -0.046 0.000 0.788 105 P CB 1.247 32.909 31.700 -0.064 0.000 0.949 111 K N 1.989 122.385 120.400 -0.008 0.000 2.412 111 K HA 0.190 4.511 4.320 0.001 0.000 0.281 111 K C -0.351 176.358 176.600 0.181 0.000 1.027 111 K CA -0.278 55.961 56.287 -0.080 0.000 0.989 111 K CB 0.250 32.710 32.500 -0.065 0.000 0.935 111 K HN 0.475 nan 8.250 nan 0.000 0.475 112 W N 6.868 128.247 121.300 0.132 0.000 2.416 112 W HA 0.098 4.758 4.660 0.001 0.000 0.318 112 W C -0.563 176.159 176.519 0.338 0.000 1.150 112 W CA -0.631 56.980 57.345 0.444 0.000 1.392 112 W CB -0.329 29.560 29.460 0.715 0.000 1.311 112 W HN 0.627 nan 8.180 nan 0.000 0.436 113 F N 1.441 121.298 119.950 -0.154 0.000 2.697 113 F HA -0.447 4.080 4.527 0.001 0.000 0.250 113 F C 1.657 177.337 175.800 -0.199 0.000 1.066 113 F CA 2.524 60.387 58.000 -0.229 0.000 1.366 113 F CB -1.023 37.793 39.000 -0.307 0.000 2.184 113 F HN 0.414 nan 8.300 nan 0.000 0.407 114 D N -0.210 120.136 120.400 -0.090 0.000 2.427 114 D HA 0.223 4.864 4.640 0.001 0.000 0.224 114 D C 0.413 176.602 176.300 -0.185 0.000 1.157 114 D CA 0.681 54.600 54.000 -0.135 0.000 0.828 114 D CB -0.920 39.813 40.800 -0.111 0.000 0.974 114 D HN 0.691 nan 8.370 nan 0.000 0.498 115 T N -2.647 111.776 114.554 -0.219 0.000 2.852 115 T HA 0.282 4.632 4.350 0.001 0.000 0.281 115 T C 0.604 175.316 174.700 0.021 0.000 0.993 115 T CA -0.764 61.243 62.100 -0.155 0.000 0.933 115 T CB 0.762 69.481 68.868 -0.248 0.000 1.187 115 T HN -0.023 nan 8.240 nan 0.000 0.559 116 N N -0.792 117.974 118.700 0.110 0.000 2.279 116 N HA 0.195 4.935 4.740 0.001 0.000 0.226 116 N C -1.145 174.474 175.510 0.183 0.000 1.126 116 N CA -0.330 52.802 53.050 0.137 0.000 0.846 116 N CB 0.135 38.713 38.487 0.151 0.000 1.050 116 N HN 0.533 nan 8.380 nan 0.000 0.502 117 Y N 0.575 120.936 120.300 0.102 0.000 2.419 117 Y HA 0.357 4.908 4.550 0.001 0.000 0.328 117 Y C -0.785 175.137 175.900 0.037 0.000 1.162 117 Y CA -0.749 57.479 58.100 0.214 0.000 1.174 117 Y CB 0.654 39.329 38.460 0.358 0.000 1.228 117 Y HN 0.082 nan 8.280 nan 0.000 0.473 118 H N 3.972 122.587 119.070 -0.757 0.000 2.600 118 H HA 0.348 4.904 4.556 0.001 0.000 0.357 118 H C -1.343 173.689 175.328 -0.494 0.000 1.106 118 H CA -0.680 55.135 56.048 -0.388 0.000 1.193 118 H CB 1.080 30.688 29.762 -0.257 0.000 1.594 118 H HN 0.624 nan 8.280 nan 0.000 0.526 119 Y N 0.432 120.743 120.300 0.019 0.000 2.602 119 Y HA 0.633 5.184 4.550 0.001 0.000 0.330 119 Y C -0.982 175.009 175.900 0.151 0.000 1.114 119 Y CA -1.523 56.667 58.100 0.150 0.000 1.182 119 Y CB 0.967 39.640 38.460 0.356 0.000 1.305 119 Y HN 0.328 nan 8.280 nan 0.000 0.502 120 I N 4.070 124.835 120.570 0.326 0.000 2.342 120 I HA 0.220 4.390 4.170 0.001 0.000 0.291 120 I C -0.018 176.253 176.117 0.256 0.000 1.010 120 I CA -0.906 60.479 61.300 0.142 0.000 1.308 120 I CB 0.926 38.997 38.000 0.119 0.000 1.400 120 I HN 0.666 nan 8.210 nan 0.000 0.488 121 V N 6.771 126.711 119.914 0.043 0.000 2.455 121 V HA 0.442 4.563 4.120 0.001 0.000 0.273 121 V C -2.378 173.805 176.094 0.149 0.000 1.045 121 V CA -1.567 60.829 62.300 0.160 0.000 0.976 121 V CB 0.521 32.346 31.823 0.002 0.000 0.993 121 V HN 0.526 nan 8.190 nan 0.000 0.475 122 P HA 0.243 nan 4.420 nan 0.000 0.268 122 P C -0.651 176.709 177.300 0.101 0.000 1.205 122 P CA 0.168 63.349 63.100 0.135 0.000 0.771 122 P CB 0.338 32.059 31.700 0.036 0.000 0.858 123 E N 2.560 122.825 120.200 0.109 0.000 2.103 123 E HA 0.275 4.625 4.350 0.001 0.000 0.254 123 E C -0.448 176.201 176.600 0.082 0.000 0.940 123 E CA -0.297 56.150 56.400 0.078 0.000 0.771 123 E CB 0.307 30.043 29.700 0.059 0.000 1.153 123 E HN 0.334 nan 8.360 nan 0.000 0.428 124 L N 1.400 122.690 121.223 0.111 0.000 2.352 124 L HA 0.833 5.173 4.340 0.001 0.000 0.269 124 L C 0.639 177.517 176.870 0.013 0.000 1.034 124 L CA -0.813 54.111 54.840 0.139 0.000 0.806 124 L CB 1.592 43.833 42.059 0.303 0.000 1.244 124 L HN 0.523 nan 8.230 nan 0.000 0.447 125 G N 0.331 109.073 108.800 -0.098 0.000 2.523 125 G HA2 0.353 4.314 3.960 0.001 0.000 0.291 125 G HA3 0.353 4.314 3.960 0.001 0.000 0.291 125 G C -2.790 171.910 174.900 -0.332 0.000 1.450 125 G CA -0.535 44.275 45.100 -0.483 0.000 0.790 125 G HN 0.300 nan 8.290 nan 0.000 0.496 126 P HA -0.028 nan 4.420 nan 0.000 0.219 126 P C 1.224 178.485 177.300 -0.065 0.000 1.146 126 P CA 1.159 64.192 63.100 -0.111 0.000 0.808 126 P CB 0.346 31.986 31.700 -0.101 0.000 0.779 127 E N -0.960 119.169 120.200 -0.118 0.000 2.435 127 E HA 0.008 4.358 4.350 0.001 0.000 0.195 127 E C 0.511 177.046 176.600 -0.108 0.000 1.029 127 E CA -0.103 56.244 56.400 -0.088 0.000 0.865 127 E CB 0.037 29.684 29.700 -0.087 0.000 0.833 127 E HN 0.058 nan 8.360 nan 0.000 0.510 128 V N 2.446 122.255 119.914 -0.176 0.000 2.521 128 V HA 0.037 4.158 4.120 0.001 0.000 0.286 128 V C -0.388 175.489 176.094 -0.363 0.000 1.034 128 V CA -0.248 61.864 62.300 -0.314 0.000 1.045 128 V CB 0.729 32.237 31.823 -0.525 0.000 0.974 128 V HN 0.064 nan 8.190 nan 0.000 0.480 129 N N 7.085 125.649 118.700 -0.227 0.000 2.645 129 N HA 0.314 5.054 4.740 0.001 0.000 0.233 129 N C -0.674 174.808 175.510 -0.046 0.000 1.058 129 N CA -0.340 52.661 53.050 -0.082 0.000 0.942 129 N CB -0.132 38.351 38.487 -0.007 0.000 1.210 129 N HN 0.519 nan 8.380 nan 0.000 0.512 130 F N 1.310 121.321 119.950 0.100 0.000 2.539 130 F HA 0.208 4.736 4.527 0.001 0.000 0.340 130 F C 1.381 177.242 175.800 0.101 0.000 1.185 130 F CA 0.331 58.392 58.000 0.103 0.000 1.333 130 F CB 0.540 39.594 39.000 0.089 0.000 1.152 130 F HN 0.438 nan 8.300 nan 0.000 0.602 131 S N 0.665 116.557 115.700 0.321 0.000 2.586 131 S HA 0.223 4.694 4.470 0.001 0.000 0.277 131 S C -1.604 173.144 174.600 0.247 0.000 1.131 131 S CA -1.082 57.262 58.200 0.241 0.000 0.848 131 S CB 0.474 63.803 63.200 0.214 0.000 1.091 131 S HN 0.506 nan 8.310 nan 0.000 0.453 132 Y N 2.536 122.864 120.300 0.046 0.000 2.644 132 Y HA 0.520 5.070 4.550 0.001 0.000 0.354 132 Y C 0.842 176.758 175.900 0.027 0.000 1.166 132 Y CA -0.641 57.438 58.100 -0.036 0.000 1.591 132 Y CB -0.231 38.179 38.460 -0.084 0.000 1.346 132 Y HN 0.965 nan 8.280 nan 0.000 0.497 133 A N 3.408 126.394 122.820 0.277 0.000 2.503 133 A HA 0.374 4.694 4.320 0.001 0.000 0.263 133 A C 0.383 178.059 177.584 0.153 0.000 1.258 133 A CA 0.313 52.467 52.037 0.195 0.000 0.936 133 A CB 0.110 19.225 19.000 0.192 0.000 1.070 133 A HN 0.445 nan 8.150 nan 0.000 0.522 134 S N -0.674 115.127 115.700 0.167 0.000 2.652 134 S HA 0.394 4.864 4.470 0.001 0.000 0.273 134 S C -1.000 173.690 174.600 0.151 0.000 1.172 134 S CA -0.502 57.786 58.200 0.147 0.000 1.009 134 S CB 0.193 63.437 63.200 0.074 0.000 1.094 134 S HN 0.383 nan 8.310 nan 0.000 0.471 135 H N 2.915 122.006 119.070 0.035 0.000 2.605 135 H HA 0.334 4.891 4.556 0.001 0.000 0.308 135 H C 1.552 176.918 175.328 0.062 0.000 1.080 135 H CA -0.046 56.044 56.048 0.070 0.000 1.119 135 H CB 0.412 30.136 29.762 -0.064 0.000 1.479 135 H HN 0.621 nan 8.280 nan 0.000 0.537 136 K N 0.885 121.355 120.400 0.117 0.000 2.074 136 K HA -0.194 4.126 4.320 0.001 0.000 0.209 136 K C 2.094 178.751 176.600 0.094 0.000 1.048 136 K CA 1.305 57.632 56.287 0.065 0.000 0.926 136 K CB 0.030 32.538 32.500 0.013 0.000 0.713 136 K HN 0.357 nan 8.250 nan 0.000 0.444 137 A N 0.636 123.512 122.820 0.092 0.000 1.841 137 A HA -0.121 4.199 4.320 0.001 0.000 0.214 137 A C 2.243 179.910 177.584 0.138 0.000 1.195 137 A CA 1.599 53.698 52.037 0.103 0.000 0.611 137 A CB -1.008 18.019 19.000 0.046 0.000 0.835 137 A HN 0.241 nan 8.150 nan 0.000 0.443 138 V N 0.989 120.986 119.914 0.137 0.000 2.332 138 V HA -0.278 3.843 4.120 0.001 0.000 0.248 138 V C 2.171 178.370 176.094 0.175 0.000 1.055 138 V CA 2.737 65.132 62.300 0.158 0.000 1.038 138 V CB -0.969 30.956 31.823 0.171 0.000 0.651 138 V HN 0.603 nan 8.190 nan 0.000 0.450 139 N N 0.276 119.065 118.700 0.147 0.000 2.043 139 N HA -0.192 4.548 4.740 0.001 0.000 0.193 139 N C 1.818 177.387 175.510 0.098 0.000 1.037 139 N CA 2.073 55.184 53.050 0.102 0.000 0.851 139 N CB -0.487 38.043 38.487 0.072 0.000 1.027 139 N HN 0.630 nan 8.380 nan 0.000 0.422 140 E N -0.403 119.876 120.200 0.132 0.000 2.118 140 E HA -0.212 4.139 4.350 0.001 0.000 0.195 140 E C 1.745 178.361 176.600 0.027 0.000 0.992 140 E CA 0.758 57.269 56.400 0.185 0.000 0.804 140 E CB -0.185 29.689 29.700 0.289 0.000 0.741 140 E HN 0.425 nan 8.360 nan 0.000 0.458 141 Y N 1.777 122.050 120.300 -0.044 0.000 2.145 141 Y HA -0.216 4.334 4.550 0.001 0.000 0.286 141 Y C 1.978 177.783 175.900 -0.158 0.000 1.145 141 Y CA 1.698 59.721 58.100 -0.128 0.000 1.148 141 Y CB 0.094 38.523 38.460 -0.052 0.000 0.981 141 Y HN -0.172 nan 8.280 nan 0.000 0.507 142 K N -0.007 120.382 120.400 -0.018 0.000 2.097 142 K HA -0.206 4.115 4.320 0.001 0.000 0.205 142 K C 2.158 178.661 176.600 -0.161 0.000 1.050 142 K CA 1.482 57.722 56.287 -0.078 0.000 0.938 142 K CB -0.196 32.331 32.500 0.046 0.000 0.718 142 K HN 0.476 nan 8.250 nan 0.000 0.442 143 E N 0.978 121.108 120.200 -0.117 0.000 2.051 143 E HA -0.203 4.147 4.350 0.001 0.000 0.192 143 E C 1.942 178.431 176.600 -0.184 0.000 0.991 143 E CA 1.172 57.530 56.400 -0.070 0.000 0.799 143 E CB -0.051 29.689 29.700 0.067 0.000 0.748 143 E HN 0.291 nan 8.360 nan 0.000 0.449 144 A N 0.975 123.487 122.820 -0.513 0.000 1.933 144 A HA -0.184 4.136 4.320 0.001 0.000 0.218 144 A C 2.072 179.321 177.584 -0.559 0.000 1.175 144 A CA 1.754 53.279 52.037 -0.854 0.000 0.628 144 A CB -0.407 17.500 19.000 -1.821 0.000 0.814 144 A HN 0.149 nan 8.150 nan 0.000 0.444 145 K N 0.290 120.356 120.400 -0.557 0.000 1.991 145 K HA -0.067 4.253 4.320 0.001 0.000 0.212 145 K C 2.077 178.530 176.600 -0.244 0.000 1.049 145 K CA 1.803 57.831 56.287 -0.431 0.000 0.932 145 K CB -0.650 31.603 32.500 -0.412 0.000 0.717 145 K HN 0.320 nan 8.250 nan 0.000 0.441 146 A N 0.278 122.989 122.820 -0.183 0.000 1.917 146 A HA -0.149 4.171 4.320 0.001 0.000 0.219 146 A C 1.904 179.433 177.584 -0.092 0.000 1.182 146 A CA 1.691 53.664 52.037 -0.107 0.000 0.633 146 A CB -0.725 18.231 19.000 -0.073 0.000 0.819 146 A HN 0.303 nan 8.150 nan 0.000 0.448 147 L N -1.169 119.996 121.223 -0.096 0.000 2.450 147 L HA 0.071 4.411 4.340 0.001 0.000 0.224 147 L C 1.900 178.725 176.870 -0.075 0.000 1.149 147 L CA 1.411 56.218 54.840 -0.054 0.000 0.816 147 L CB -1.112 40.949 42.059 0.003 0.000 0.932 147 L HN 0.753 nan 8.230 nan 0.000 0.449 148 G N -1.303 107.425 108.800 -0.121 0.000 2.144 148 G HA2 -0.204 3.757 3.960 0.001 0.000 0.218 148 G HA3 -0.204 3.757 3.960 0.001 0.000 0.218 148 G C 0.171 174.985 174.900 -0.143 0.000 0.988 148 G CA 0.091 45.122 45.100 -0.114 0.000 0.659 148 G HN 0.233 nan 8.290 nan 0.000 0.522 149 V N 1.126 120.914 119.914 -0.210 0.000 2.350 149 V HA 0.607 4.727 4.120 0.001 0.000 0.285 149 V C -0.410 175.466 176.094 -0.363 0.000 1.014 149 V CA -0.602 61.553 62.300 -0.241 0.000 0.831 149 V CB 1.486 33.188 31.823 -0.201 0.000 1.000 149 V HN 0.295 nan 8.190 nan 0.000 0.433 150 D N 4.941 125.176 120.400 -0.275 0.000 2.383 150 D HA 0.433 5.074 4.640 0.001 0.000 0.252 150 D C 0.351 176.509 176.300 -0.238 0.000 1.166 150 D CA 0.478 54.312 54.000 -0.275 0.000 0.879 150 D CB 1.372 42.096 40.800 -0.126 0.000 1.164 150 D HN 0.802 nan 8.370 nan 0.000 0.462 151 T N -0.408 113.996 114.554 -0.250 0.000 2.927 151 T HA 0.606 4.957 4.350 0.001 0.000 0.286 151 T C -0.390 174.421 174.700 0.186 0.000 1.040 151 T CA -0.946 61.094 62.100 -0.100 0.000 1.010 151 T CB 1.204 69.900 68.868 -0.287 0.000 1.177 151 T HN 0.054 nan 8.240 nan 0.000 0.546 152 V N 2.747 122.784 119.914 0.204 0.000 2.313 152 V HA 0.391 4.512 4.120 0.001 0.000 0.278 152 V C -2.455 173.782 176.094 0.238 0.000 1.017 152 V CA -2.030 60.435 62.300 0.275 0.000 0.823 152 V CB 0.813 32.828 31.823 0.320 0.000 1.010 152 V HN 0.773 nan 8.190 nan 0.000 0.443 153 P HA 0.147 nan 4.420 nan 0.000 0.268 153 P C -0.654 176.737 177.300 0.152 0.000 1.205 153 P CA 0.107 63.309 63.100 0.170 0.000 0.771 153 P CB 0.750 32.506 31.700 0.092 0.000 0.858 154 V N 5.239 125.247 119.914 0.156 0.000 2.409 154 V HA 0.373 4.494 4.120 0.001 0.000 0.291 154 V C 0.078 176.249 176.094 0.129 0.000 1.020 154 V CA -0.379 62.012 62.300 0.152 0.000 0.848 154 V CB 1.020 32.946 31.823 0.172 0.000 0.990 154 V HN 0.351 nan 8.190 nan 0.000 0.430 155 L N 4.751 126.053 121.223 0.131 0.000 2.354 155 L HA 0.626 4.967 4.340 0.001 0.000 0.269 155 L C -0.392 176.599 176.870 0.202 0.000 1.005 155 L CA -1.121 53.797 54.840 0.131 0.000 0.819 155 L CB 2.283 44.412 42.059 0.117 0.000 1.311 155 L HN 0.275 nan 8.230 nan 0.000 0.423 156 V N 1.717 121.766 119.914 0.224 0.000 2.470 156 V HA 0.170 4.290 4.120 0.001 0.000 0.276 156 V C 1.062 177.353 176.094 0.328 0.000 1.040 156 V CA -0.268 62.213 62.300 0.301 0.000 1.008 156 V CB 0.972 33.007 31.823 0.354 0.000 0.990 156 V HN 0.913 nan 8.190 nan 0.000 0.477 157 G N 7.163 116.127 108.800 0.272 0.000 2.391 157 G HA2 0.105 4.065 3.960 0.001 0.000 0.234 157 G HA3 0.105 4.065 3.960 0.001 0.000 0.234 157 G C -0.767 174.179 174.900 0.076 0.000 1.284 157 G CA -0.417 44.792 45.100 0.182 0.000 0.873 157 G HN 0.637 nan 8.290 nan 0.000 0.549 158 P HA -0.183 nan 4.420 nan 0.000 0.216 158 P C 1.913 179.118 177.300 -0.159 0.000 1.153 158 P CA 1.414 64.223 63.100 -0.485 0.000 0.858 158 P CB 0.124 31.134 31.700 -1.151 0.000 0.789 159 V N -0.753 119.013 119.914 -0.246 0.000 2.719 159 V HA -0.074 4.047 4.120 0.001 0.000 0.252 159 V C 2.359 178.348 176.094 -0.176 0.000 1.065 159 V CA 2.110 64.199 62.300 -0.351 0.000 1.086 159 V CB -1.136 30.156 31.823 -0.885 0.000 0.700 159 V HN 0.015 nan 8.190 nan 0.000 0.467 160 S N -0.688 115.026 115.700 0.023 0.000 2.387 160 S HA -0.133 4.337 4.470 0.001 0.000 0.226 160 S C 1.681 176.378 174.600 0.162 0.000 1.026 160 S CA 1.660 59.958 58.200 0.164 0.000 0.972 160 S CB -0.501 62.853 63.200 0.258 0.000 0.814 160 S HN 0.862 nan 8.310 nan 0.000 0.477 161 Y N 2.326 122.684 120.300 0.096 0.000 2.165 161 Y HA -0.135 4.415 4.550 0.001 0.000 0.286 161 Y C 1.797 177.757 175.900 0.100 0.000 1.155 161 Y CA 1.411 59.589 58.100 0.129 0.000 1.164 161 Y CB -0.417 38.142 38.460 0.165 0.000 0.978 161 Y HN 0.159 nan 8.280 nan 0.000 0.513 162 L N -0.578 120.648 121.223 0.005 0.000 2.056 162 L HA -0.214 4.126 4.340 0.001 0.000 0.207 162 L C 2.368 179.189 176.870 -0.082 0.000 1.078 162 L CA 1.106 55.901 54.840 -0.075 0.000 0.749 162 L CB -0.571 41.480 42.059 -0.014 0.000 0.901 162 L HN 0.264 nan 8.230 nan 0.000 0.433 163 L N -0.440 120.753 121.223 -0.049 0.000 2.362 163 L HA -0.173 4.167 4.340 0.001 0.000 0.219 163 L C 2.026 178.881 176.870 -0.024 0.000 1.134 163 L CA 0.774 55.599 54.840 -0.025 0.000 0.807 163 L CB -0.226 41.843 42.059 0.016 0.000 0.927 163 L HN 0.326 nan 8.230 nan 0.000 0.447 164 L N -1.698 119.500 121.223 -0.042 0.000 2.592 164 L HA 0.101 4.441 4.340 0.001 0.000 0.227 164 L C 1.107 178.015 176.870 0.063 0.000 1.127 164 L CA -0.204 54.635 54.840 -0.002 0.000 0.884 164 L CB 0.134 42.153 42.059 -0.068 0.000 1.065 164 L HN 0.083 nan 8.230 nan 0.000 0.457 165 S N -0.515 115.155 115.700 -0.050 0.000 2.713 165 S HA 0.504 4.974 4.470 0.001 0.000 0.277 165 S C -0.117 174.506 174.600 0.039 0.000 1.168 165 S CA -0.584 57.601 58.200 -0.026 0.000 0.994 165 S CB 1.155 64.281 63.200 -0.123 0.000 1.054 165 S HN -0.020 nan 8.310 nan 0.000 0.555 166 K N 0.349 120.784 120.400 0.059 0.000 2.502 166 K HA 0.566 4.886 4.320 0.001 0.000 0.257 166 K C -0.901 175.755 176.600 0.093 0.000 0.938 166 K CA -0.682 55.645 56.287 0.066 0.000 0.819 166 K CB 1.770 34.293 32.500 0.038 0.000 1.333 166 K HN 0.679 nan 8.250 nan 0.000 0.434 167 A N 1.437 124.329 122.820 0.119 0.000 2.511 167 A HA 0.481 4.801 4.320 0.001 0.000 0.242 167 A C 0.400 178.005 177.584 0.035 0.000 1.069 167 A CA 0.216 52.322 52.037 0.115 0.000 0.763 167 A CB -0.025 19.075 19.000 0.166 0.000 1.001 167 A HN 0.746 nan 8.150 nan 0.000 0.498 168 A N 2.857 125.672 122.820 -0.010 0.000 2.386 168 A HA 0.382 4.702 4.320 0.001 0.000 0.246 168 A C 0.701 178.264 177.584 -0.034 0.000 1.089 168 A CA -0.259 51.764 52.037 -0.023 0.000 0.790 168 A CB 0.101 19.076 19.000 -0.042 0.000 1.042 168 A HN 0.834 nan 8.150 nan 0.000 0.497 169 K N -0.333 120.049 120.400 -0.031 0.000 2.485 169 K HA 0.254 4.575 4.320 0.001 0.000 0.277 169 K C 1.158 177.733 176.600 -0.041 0.000 0.990 169 K CA 1.365 57.634 56.287 -0.030 0.000 0.994 169 K CB 0.106 32.588 32.500 -0.030 0.000 0.906 169 K HN 1.500 nan 8.250 nan 0.000 0.488 170 G N 1.038 109.818 108.800 -0.033 0.000 2.143 170 G HA2 -0.232 3.728 3.960 0.001 0.000 0.249 170 G HA3 -0.232 3.728 3.960 0.001 0.000 0.249 170 G C -0.088 174.781 174.900 -0.053 0.000 0.981 170 G CA 0.009 45.086 45.100 -0.037 0.000 0.665 170 G HN 0.413 nan 8.290 nan 0.000 0.528 171 V N 3.297 123.174 119.914 -0.062 0.000 2.348 171 V HA 0.342 4.463 4.120 0.001 0.000 0.270 171 V C 0.524 176.609 176.094 -0.015 0.000 1.037 171 V CA -0.848 61.392 62.300 -0.100 0.000 0.872 171 V CB 1.148 32.855 31.823 -0.193 0.000 1.002 171 V HN 0.482 nan 8.190 nan 0.000 0.464 172 D N 5.084 125.489 120.400 0.007 0.000 2.667 172 D HA -0.167 4.474 4.640 0.001 0.000 0.226 172 D C 1.175 177.539 176.300 0.107 0.000 1.137 172 D CA 0.027 54.060 54.000 0.055 0.000 0.855 172 D CB 1.049 41.887 40.800 0.064 0.000 1.194 172 D HN 0.750 nan 8.370 nan 0.000 0.492 173 K N 0.612 121.061 120.400 0.081 0.000 2.209 173 K HA -0.191 4.129 4.320 0.001 0.000 0.204 173 K C 1.724 178.381 176.600 0.096 0.000 1.048 173 K CA 1.389 57.727 56.287 0.084 0.000 0.940 173 K CB -0.230 32.300 32.500 0.050 0.000 0.729 173 K HN 0.424 nan 8.250 nan 0.000 0.451 174 S N 1.043 116.800 115.700 0.095 0.000 2.382 174 S HA -0.178 4.293 4.470 0.001 0.000 0.228 174 S C 0.836 175.497 174.600 0.101 0.000 1.027 174 S CA 0.015 58.263 58.200 0.080 0.000 0.991 174 S CB -0.908 62.336 63.200 0.073 0.000 0.823 174 S HN 0.400 nan 8.310 nan 0.000 0.469 175 F N 3.244 123.201 119.950 0.013 0.000 2.642 175 F HA 0.220 4.748 4.527 0.000 0.000 0.371 175 F C 0.534 176.344 175.800 0.016 0.000 1.120 175 F CA 0.058 58.068 58.000 0.017 0.000 1.331 175 F CB 0.360 39.373 39.000 0.022 0.000 1.044 175 F HN 0.141 nan 8.300 nan 0.000 0.594 176 E N 6.849 126.457 120.200 -0.986 0.000 2.216 176 E HA 0.173 4.523 4.350 0.001 0.000 0.260 176 E C 0.750 176.718 176.600 -1.054 0.000 0.880 176 E CA -0.384 55.581 56.400 -0.723 0.000 0.765 176 E CB 1.425 30.907 29.700 -0.363 0.000 1.174 176 E HN 0.880 nan 8.360 nan 0.000 0.417 177 L N 3.275 124.120 121.223 -0.630 0.000 2.021 177 L HA -0.271 4.070 4.340 0.001 0.000 0.215 177 L C 2.040 178.797 176.870 -0.189 0.000 1.074 177 L CA 0.994 55.675 54.840 -0.265 0.000 0.760 177 L CB -0.415 41.629 42.059 -0.026 0.000 0.889 177 L HN 0.506 nan 8.230 nan 0.000 0.433 178 L N 0.320 121.430 121.223 -0.188 0.000 2.556 178 L HA -0.175 4.166 4.340 0.001 0.000 0.230 178 L C 2.623 179.413 176.870 -0.134 0.000 1.163 178 L CA 1.791 56.545 54.840 -0.143 0.000 0.819 178 L CB -1.056 40.922 42.059 -0.136 0.000 0.939 178 L HN 0.421 nan 8.230 nan 0.000 0.452 179 S N -2.625 112.965 115.700 -0.183 0.000 2.561 179 S HA 0.006 4.476 4.470 0.001 0.000 0.225 179 S C 1.646 176.251 174.600 0.009 0.000 0.977 179 S CA 0.202 58.337 58.200 -0.109 0.000 0.926 179 S CB -0.290 62.807 63.200 -0.172 0.000 0.769 179 S HN 0.470 nan 8.310 nan 0.000 0.533 180 L N 0.476 121.726 121.223 0.045 0.000 2.558 180 L HA 0.270 4.610 4.340 0.001 0.000 0.225 180 L C 2.084 178.946 176.870 -0.012 0.000 1.128 180 L CA 0.068 54.979 54.840 0.118 0.000 0.868 180 L CB -0.480 41.728 42.059 0.249 0.000 1.006 180 L HN 0.289 nan 8.230 nan 0.000 0.454 181 L N 0.785 121.973 121.223 -0.060 0.000 2.051 181 L HA -0.221 4.119 4.340 0.001 0.000 0.214 181 L C -0.223 176.584 176.870 -0.105 0.000 1.076 181 L CA 1.896 56.667 54.840 -0.115 0.000 0.758 181 L CB -1.488 40.492 42.059 -0.132 0.000 0.890 181 L HN 0.261 nan 8.230 nan 0.000 0.433 182 P HA -0.162 nan 4.420 nan 0.000 0.221 182 P C 1.135 178.420 177.300 -0.024 0.000 1.145 182 P CA 1.336 64.414 63.100 -0.036 0.000 0.795 182 P CB 0.050 31.747 31.700 -0.004 0.000 0.775 183 K N -0.826 119.559 120.400 -0.025 0.000 2.284 183 K HA 0.110 4.430 4.320 0.001 0.000 0.198 183 K C 1.931 178.427 176.600 -0.173 0.000 1.048 183 K CA 0.803 57.088 56.287 -0.004 0.000 0.987 183 K CB -0.093 32.517 32.500 0.183 0.000 0.800 183 K HN 0.266 nan 8.250 nan 0.000 0.486 184 I N -2.531 117.853 120.570 -0.310 0.000 3.265 184 I HA -0.031 4.139 4.170 0.001 0.000 0.282 184 I C 1.594 177.678 176.117 -0.057 0.000 1.207 184 I CA 0.193 61.306 61.300 -0.312 0.000 1.449 184 I CB -0.081 37.695 38.000 -0.372 0.000 1.121 184 I HN -0.141 nan 8.210 nan 0.000 0.442 185 L N 2.026 123.185 121.223 -0.108 0.000 2.042 185 L HA -0.034 4.307 4.340 0.001 0.000 0.210 185 L C -0.208 176.635 176.870 -0.045 0.000 1.076 185 L CA 2.309 57.082 54.840 -0.113 0.000 0.749 185 L CB -2.149 39.806 42.059 -0.173 0.000 0.893 185 L HN 0.190 nan 8.230 nan 0.000 0.432 186 P HA -0.141 nan 4.420 nan 0.000 0.216 186 P C 2.073 179.346 177.300 -0.045 0.000 1.150 186 P CA 1.389 64.469 63.100 -0.032 0.000 0.837 186 P CB 0.066 31.760 31.700 -0.010 0.000 0.786 187 I N -2.853 117.680 120.570 -0.062 0.000 2.252 187 I HA -0.243 3.928 4.170 0.001 0.000 0.245 187 I C 2.094 178.033 176.117 -0.296 0.000 1.102 187 I CA 1.371 62.564 61.300 -0.179 0.000 1.385 187 I CB -0.712 37.172 38.000 -0.194 0.000 1.064 187 I HN -0.078 nan 8.210 nan 0.000 0.414 188 Y N 1.514 121.641 120.300 -0.290 0.000 2.274 188 Y HA -0.216 4.334 4.550 0.001 0.000 0.290 188 Y C 2.543 178.292 175.900 -0.252 0.000 1.145 188 Y CA 1.430 59.357 58.100 -0.289 0.000 1.203 188 Y CB -0.354 37.952 38.460 -0.256 0.000 0.984 188 Y HN 0.041 nan 8.280 nan 0.000 0.533 189 K N 0.128 120.498 120.400 -0.049 0.000 2.026 189 K HA -0.209 4.111 4.320 0.001 0.000 0.208 189 K C 1.891 178.437 176.600 -0.090 0.000 1.048 189 K CA 1.876 58.121 56.287 -0.070 0.000 0.929 189 K CB -0.230 32.236 32.500 -0.057 0.000 0.713 189 K HN 0.440 nan 8.250 nan 0.000 0.439 190 E N 0.467 120.599 120.200 -0.112 0.000 2.110 190 E HA -0.159 4.192 4.350 0.001 0.000 0.193 190 E C 2.046 178.577 176.600 -0.114 0.000 0.988 190 E CA 1.128 57.489 56.400 -0.063 0.000 0.804 190 E CB -0.027 29.686 29.700 0.023 0.000 0.745 190 E HN 0.038 nan 8.360 nan 0.000 0.458 191 V N 1.535 121.223 119.914 -0.376 0.000 2.358 191 V HA -0.232 3.889 4.120 0.001 0.000 0.246 191 V C 2.194 178.194 176.094 -0.158 0.000 1.047 191 V CA 1.420 63.498 62.300 -0.369 0.000 1.035 191 V CB -0.349 31.121 31.823 -0.587 0.000 0.658 191 V HN 0.282 nan 8.190 nan 0.000 0.452 192 I N -0.153 120.334 120.570 -0.138 0.000 2.394 192 I HA -0.182 3.989 4.170 0.001 0.000 0.251 192 I C 2.436 178.504 176.117 -0.081 0.000 1.136 192 I CA 1.463 62.704 61.300 -0.097 0.000 1.425 192 I CB -0.618 37.334 38.000 -0.080 0.000 1.079 192 I HN 0.315 nan 8.210 nan 0.000 0.425 193 T N 0.373 114.891 114.554 -0.059 0.000 2.812 193 T HA -0.122 4.228 4.350 0.001 0.000 0.264 193 T C 1.738 176.426 174.700 -0.020 0.000 1.042 193 T CA 1.203 63.282 62.100 -0.034 0.000 1.140 193 T CB -0.140 68.720 68.868 -0.013 0.000 0.870 193 T HN 0.415 nan 8.240 nan 0.000 0.445 194 E N 0.676 120.881 120.200 0.008 0.000 2.106 194 E HA -0.058 4.293 4.350 0.001 0.000 0.192 194 E C 2.071 178.650 176.600 -0.035 0.000 0.984 194 E CA 0.637 57.056 56.400 0.031 0.000 0.806 194 E CB -0.167 29.604 29.700 0.117 0.000 0.750 194 E HN 0.226 nan 8.360 nan 0.000 0.458 195 L N 1.671 122.840 121.223 -0.090 0.000 2.042 195 L HA -0.192 4.149 4.340 0.001 0.000 0.210 195 L C 2.086 178.800 176.870 -0.261 0.000 1.076 195 L CA 1.732 56.436 54.840 -0.226 0.000 0.749 195 L CB -0.696 41.231 42.059 -0.219 0.000 0.893 195 L HN 0.024 nan 8.230 nan 0.000 0.432 196 K N -0.907 119.401 120.400 -0.152 0.000 2.057 196 K HA -0.081 4.240 4.320 0.001 0.000 0.206 196 K C 2.111 178.664 176.600 -0.079 0.000 1.050 196 K CA 1.265 57.482 56.287 -0.117 0.000 0.935 196 K CB -0.275 32.177 32.500 -0.080 0.000 0.715 196 K HN 0.286 nan 8.250 nan 0.000 0.439 197 A N 1.607 124.395 122.820 -0.052 0.000 1.940 197 A HA -0.132 4.189 4.320 0.001 0.000 0.219 197 A C 2.310 179.893 177.584 -0.002 0.000 1.176 197 A CA 1.887 53.914 52.037 -0.018 0.000 0.631 197 A CB -0.600 18.400 19.000 -0.000 0.000 0.814 197 A HN 0.344 nan 8.150 nan 0.000 0.446 198 A N -2.296 120.513 122.820 -0.017 0.000 2.168 198 A HA 0.370 4.690 4.320 0.001 0.000 0.215 198 A C 1.868 179.540 177.584 0.146 0.000 1.152 198 A CA 1.563 53.640 52.037 0.066 0.000 0.716 198 A CB -0.652 18.413 19.000 0.108 0.000 0.794 198 A HN 1.827 nan 8.150 nan 0.000 0.465 199 G N -2.553 106.262 108.800 0.025 0.000 2.255 199 G HA2 0.191 4.152 3.960 0.001 0.000 0.196 199 G HA3 0.191 4.152 3.960 0.001 0.000 0.196 199 G C 0.446 175.387 174.900 0.069 0.000 0.998 199 G CA 0.038 45.199 45.100 0.101 0.000 0.656 199 G HN 1.496 nan 8.290 nan 0.000 0.490 200 A N 0.846 123.497 122.820 -0.281 0.000 2.540 200 A HA 0.562 4.882 4.320 0.001 0.000 0.239 200 A C 1.512 179.070 177.584 -0.042 0.000 1.061 200 A CA 1.909 53.779 52.037 -0.279 0.000 0.758 200 A CB 0.222 18.802 19.000 -0.700 0.000 0.991 200 A HN 1.485 nan 8.150 nan 0.000 0.502 201 T N -1.641 112.984 114.554 0.117 0.000 2.975 201 T HA 0.260 4.611 4.350 0.001 0.000 0.257 201 T C -0.189 174.552 174.700 0.067 0.000 1.003 201 T CA -0.031 62.132 62.100 0.104 0.000 0.932 201 T CB -0.016 68.969 68.868 0.194 0.000 1.087 201 T HN 0.547 nan 8.240 nan 0.000 0.512 202 W N 0.514 121.830 121.300 0.026 0.000 2.936 202 W HA 0.794 5.455 4.660 0.001 0.000 0.338 202 W C -0.939 175.573 176.519 -0.011 0.000 1.121 202 W CA -1.371 55.983 57.345 0.016 0.000 1.209 202 W CB 1.649 31.177 29.460 0.114 0.000 1.420 202 W HN 0.072 nan 8.180 nan 0.000 0.516 203 I N 1.793 122.460 120.570 0.161 0.000 2.769 203 I HA 0.365 4.536 4.170 0.001 0.000 0.298 203 I C -1.317 174.846 176.117 0.077 0.000 1.128 203 I CA -0.935 60.418 61.300 0.089 0.000 1.031 203 I CB 2.305 40.305 38.000 0.001 0.000 1.235 203 I HN 0.444 nan 8.210 nan 0.000 0.423 204 Q N 6.562 126.414 119.800 0.088 0.000 2.325 204 Q HA 0.448 4.788 4.340 0.001 0.000 0.270 204 Q C -2.095 173.956 176.000 0.086 0.000 1.020 204 Q CA -0.816 55.025 55.803 0.063 0.000 0.785 204 Q CB 1.636 30.444 28.738 0.117 0.000 1.259 204 Q HN 0.487 nan 8.270 nan 0.000 0.452 205 L N 3.931 125.195 121.223 0.069 0.000 2.298 205 L HA 0.404 4.744 4.340 0.001 0.000 0.284 205 L C -0.786 176.157 176.870 0.122 0.000 1.013 205 L CA -0.393 54.525 54.840 0.129 0.000 0.824 205 L CB 1.302 43.469 42.059 0.180 0.000 1.221 205 L HN 0.683 nan 8.230 nan 0.000 0.418 206 D N 3.225 123.728 120.400 0.171 0.000 2.336 206 D HA 0.228 4.868 4.640 0.001 0.000 0.249 206 D C 0.362 176.738 176.300 0.128 0.000 1.213 206 D CA 0.160 54.257 54.000 0.162 0.000 0.870 206 D CB 1.137 42.120 40.800 0.305 0.000 1.076 206 D HN 0.275 nan 8.370 nan 0.000 0.483 207 E N 3.377 123.587 120.200 0.017 0.000 3.659 207 E HA 0.117 4.467 4.350 0.001 0.000 0.217 207 E C -1.738 174.798 176.600 -0.107 0.000 1.141 207 E CA -1.394 55.056 56.400 0.083 0.000 1.340 207 E CB 1.119 30.924 29.700 0.175 0.000 1.295 207 E HN 0.357 nan 8.360 nan 0.000 0.434 208 P HA -0.117 nan 4.420 nan 0.000 0.221 208 P C 1.455 178.639 177.300 -0.194 0.000 1.145 208 P CA 0.635 63.340 63.100 -0.658 0.000 0.795 208 P CB 0.342 31.250 31.700 -1.319 0.000 0.775 209 V N 0.414 120.413 119.914 0.141 0.000 2.568 209 V HA -0.207 3.914 4.120 0.001 0.000 0.253 209 V C 2.688 178.838 176.094 0.094 0.000 1.072 209 V CA 1.299 63.751 62.300 0.254 0.000 1.084 209 V CB -1.252 30.750 31.823 0.298 0.000 0.676 209 V HN 0.073 nan 8.190 nan 0.000 0.469 210 L N 0.201 121.386 121.223 -0.063 0.000 2.349 210 L HA -0.088 4.252 4.340 0.001 0.000 0.220 210 L C 1.364 178.165 176.870 -0.115 0.000 1.130 210 L CA 0.680 55.378 54.840 -0.238 0.000 0.791 210 L CB -0.683 41.160 42.059 -0.361 0.000 0.918 210 L HN 0.475 nan 8.230 nan 0.000 0.444 214 L N 2.308 123.530 121.223 -0.001 0.000 2.307 214 L HA 0.300 4.641 4.340 0.001 0.000 0.284 214 L C 0.945 177.821 176.870 0.009 0.000 1.023 214 L CA -0.639 54.211 54.840 0.017 0.000 0.810 214 L CB 1.384 43.464 42.059 0.035 0.000 1.231 214 L HN 0.284 nan 8.230 nan 0.000 0.423 215 E N 1.259 121.469 120.200 0.015 0.000 2.409 215 E HA 0.205 4.556 4.350 0.001 0.000 0.257 215 E C 0.956 177.565 176.600 0.016 0.000 1.150 215 E CA 0.087 56.492 56.400 0.009 0.000 0.942 215 E CB 0.457 30.160 29.700 0.006 0.000 0.979 215 E HN 0.693 nan 8.360 nan 0.000 0.447 216 G N 0.875 109.679 108.800 0.008 0.000 2.422 216 G HA2 -0.306 3.654 3.960 0.001 0.000 0.218 216 G HA3 -0.306 3.654 3.960 0.001 0.000 0.218 216 G C 1.321 176.235 174.900 0.023 0.000 1.146 216 G CA 0.722 45.828 45.100 0.011 0.000 0.769 216 G HN 0.457 nan 8.290 nan 0.000 0.547 217 Q N 0.335 120.146 119.800 0.018 0.000 2.124 217 Q HA 0.029 4.369 4.340 0.001 0.000 0.202 217 Q C 2.523 178.544 176.000 0.036 0.000 0.977 217 Q CA 1.355 57.168 55.803 0.017 0.000 0.850 217 Q CB -0.137 28.602 28.738 0.002 0.000 0.901 217 Q HN 0.431 nan 8.270 nan 0.000 0.429 218 K N -0.042 120.392 120.400 0.056 0.000 2.031 218 K HA -0.021 4.299 4.320 0.001 0.000 0.205 218 K C 2.016 178.754 176.600 0.230 0.000 1.049 218 K CA 0.831 57.181 56.287 0.104 0.000 0.939 218 K CB -0.169 32.400 32.500 0.114 0.000 0.717 218 K HN 0.134 nan 8.250 nan 0.000 0.438 219 L N 1.162 122.505 121.223 0.201 0.000 2.081 219 L HA -0.264 4.077 4.340 0.001 0.000 0.212 219 L C 2.699 179.717 176.870 0.247 0.000 1.080 219 L CA 1.146 56.122 54.840 0.226 0.000 0.754 219 L CB -0.391 41.689 42.059 0.034 0.000 0.893 219 L HN 0.233 nan 8.230 nan 0.000 0.433 220 Q N 0.396 120.275 119.800 0.132 0.000 2.181 220 Q HA -0.204 4.136 4.340 0.001 0.000 0.205 220 Q C 2.121 178.178 176.000 0.094 0.000 0.980 220 Q CA 2.027 57.883 55.803 0.088 0.000 0.862 220 Q CB -0.266 28.497 28.738 0.041 0.000 0.905 220 Q HN 0.449 nan 8.270 nan 0.000 0.429 221 A N -0.654 122.215 122.820 0.082 0.000 1.933 221 A HA -0.124 4.197 4.320 0.001 0.000 0.218 221 A C 1.810 179.369 177.584 -0.041 0.000 1.175 221 A CA 1.375 53.395 52.037 -0.028 0.000 0.628 221 A CB -0.860 18.066 19.000 -0.125 0.000 0.814 221 A HN 0.456 nan 8.150 nan 0.000 0.444 222 F N 0.531 120.503 119.950 0.036 0.000 2.051 222 F HA -0.151 4.376 4.527 0.001 0.000 0.296 222 F C 2.814 178.700 175.800 0.143 0.000 1.122 222 F CA 1.950 60.011 58.000 0.102 0.000 1.201 222 F CB -1.220 37.794 39.000 0.023 0.000 0.978 222 F HN 0.124 nan 8.300 nan 0.000 0.472 223 T N -0.332 114.378 114.554 0.260 0.000 2.653 223 T HA -0.249 4.101 4.350 0.001 0.000 0.268 223 T C 2.279 177.047 174.700 0.114 0.000 1.035 223 T CA 1.711 63.900 62.100 0.148 0.000 1.154 223 T CB -1.205 67.711 68.868 0.080 0.000 0.862 223 T HN 0.478 nan 8.240 nan 0.000 0.441 224 G N 0.745 109.584 108.800 0.066 0.000 2.408 224 G HA2 0.018 3.979 3.960 0.001 0.000 0.217 224 G HA3 0.018 3.979 3.960 0.001 0.000 0.217 224 G C 1.837 176.727 174.900 -0.017 0.000 1.150 224 G CA 0.923 46.031 45.100 0.013 0.000 0.776 224 G HN 0.606 nan 8.290 nan 0.000 0.542 225 A N 0.268 123.070 122.820 -0.030 0.000 1.883 225 A HA -0.017 4.304 4.320 0.001 0.000 0.217 225 A C 2.233 179.673 177.584 -0.240 0.000 1.186 225 A CA 1.557 53.495 52.037 -0.164 0.000 0.624 225 A CB -0.676 18.185 19.000 -0.231 0.000 0.822 225 A HN 0.394 nan 8.150 nan 0.000 0.444 226 Y N -0.272 119.986 120.300 -0.070 0.000 2.373 226 Y HA 0.074 4.625 4.550 0.001 0.000 0.293 226 Y C 2.779 178.645 175.900 -0.056 0.000 1.129 226 Y CA 0.508 58.572 58.100 -0.061 0.000 1.226 226 Y CB -0.391 38.053 38.460 -0.028 0.000 1.000 226 Y HN 0.337 nan 8.280 nan 0.000 0.549 227 A N -0.085 122.768 122.820 0.056 0.000 1.929 227 A HA -0.181 4.139 4.320 0.001 0.000 0.216 227 A C 2.023 179.588 177.584 -0.032 0.000 1.176 227 A CA 1.756 53.802 52.037 0.015 0.000 0.628 227 A CB -0.437 18.570 19.000 0.013 0.000 0.816 227 A HN 0.343 nan 8.150 nan 0.000 0.444 228 E N -0.831 119.330 120.200 -0.065 0.000 2.347 228 E HA -0.041 4.309 4.350 0.001 0.000 0.196 228 E C 1.317 177.849 176.600 -0.114 0.000 1.008 228 E CA 0.653 57.001 56.400 -0.087 0.000 0.852 228 E CB -0.131 29.507 29.700 -0.103 0.000 0.783 228 E HN 0.364 nan 8.360 nan 0.000 0.505 229 L N 0.296 121.428 121.223 -0.153 0.000 2.513 229 L HA 0.205 4.545 4.340 0.001 0.000 0.222 229 L C 1.946 178.751 176.870 -0.109 0.000 1.096 229 L CA 0.799 55.535 54.840 -0.174 0.000 0.857 229 L CB -0.322 41.544 42.059 -0.321 0.000 1.026 229 L HN 0.209 nan 8.230 nan 0.000 0.469 230 E N -0.069 120.090 120.200 -0.068 0.000 2.086 230 E HA -0.333 4.017 4.350 0.001 0.000 0.205 230 E C 2.200 178.770 176.600 -0.051 0.000 1.027 230 E CA 2.218 58.593 56.400 -0.043 0.000 0.830 230 E CB -0.003 29.683 29.700 -0.023 0.000 0.751 230 E HN 0.515 nan 8.360 nan 0.000 0.456 231 S N -0.834 114.837 115.700 -0.049 0.000 2.400 231 S HA -0.154 4.316 4.470 0.001 0.000 0.232 231 S C 2.054 176.623 174.600 -0.052 0.000 1.025 231 S CA 1.721 59.894 58.200 -0.045 0.000 0.993 231 S CB -0.624 62.553 63.200 -0.039 0.000 0.808 231 S HN 0.290 nan 8.310 nan 0.000 0.478 232 T N 2.129 116.646 114.554 -0.061 0.000 2.942 232 T HA 0.210 4.560 4.350 0.001 0.000 0.265 232 T C 1.250 175.907 174.700 -0.072 0.000 1.062 232 T CA 0.687 62.748 62.100 -0.064 0.000 1.139 232 T CB -0.279 68.547 68.868 -0.071 0.000 0.883 232 T HN 0.206 nan 8.240 nan 0.000 0.468 233 L N 1.595 122.772 121.223 -0.078 0.000 2.610 233 L HA 0.259 4.599 4.340 0.001 0.000 0.232 233 L C 1.299 178.115 176.870 -0.090 0.000 1.149 233 L CA 0.287 55.075 54.840 -0.086 0.000 0.872 233 L CB -1.298 40.714 42.059 -0.079 0.000 0.992 233 L HN 0.105 nan 8.230 nan 0.000 0.447 234 S N 0.215 115.870 115.700 -0.074 0.000 2.552 234 S HA 0.333 4.803 4.470 0.001 0.000 0.289 234 S C 1.240 175.795 174.600 -0.076 0.000 1.304 234 S CA 0.365 58.523 58.200 -0.070 0.000 1.063 234 S CB -0.019 63.149 63.200 -0.053 0.000 0.848 234 S HN 0.731 nan 8.310 nan 0.000 0.499 235 G N 2.676 111.427 108.800 -0.081 0.000 2.298 235 G HA2 -0.143 3.817 3.960 0.001 0.000 0.287 235 G HA3 -0.143 3.817 3.960 0.001 0.000 0.287 235 G C -0.604 174.230 174.900 -0.109 0.000 1.075 235 G CA 0.382 45.434 45.100 -0.080 0.000 0.960 235 G HN 1.157 nan 8.290 nan 0.000 0.502 236 L N -0.596 120.532 121.223 -0.160 0.000 2.611 236 L HA 0.492 4.832 4.340 0.001 0.000 0.260 236 L C -0.852 175.803 176.870 -0.359 0.000 0.924 236 L CA -1.159 53.547 54.840 -0.224 0.000 0.901 236 L CB 1.547 43.505 42.059 -0.168 0.000 1.369 236 L HN 0.141 nan 8.230 nan 0.000 0.415 237 N N 2.476 120.793 118.700 -0.638 0.000 2.514 237 N HA 0.545 5.285 4.740 0.001 0.000 0.277 237 N C -1.182 173.890 175.510 -0.730 0.000 1.126 237 N CA -0.050 52.398 53.050 -1.003 0.000 0.978 237 N CB 1.837 38.900 38.487 -2.373 0.000 1.106 237 N HN 0.389 nan 8.380 nan 0.000 0.461 238 V N 3.670 123.263 119.914 -0.535 0.000 2.483 238 V HA 0.357 4.478 4.120 0.001 0.000 0.297 238 V C 0.052 175.930 176.094 -0.360 0.000 1.027 238 V CA -0.788 61.319 62.300 -0.322 0.000 0.855 238 V CB 2.221 33.924 31.823 -0.201 0.000 0.995 238 V HN 0.453 nan 8.190 nan 0.000 0.424 239 L N 5.672 126.720 121.223 -0.291 0.000 2.287 239 L HA 0.640 4.980 4.340 0.001 0.000 0.287 239 L C -0.888 175.796 176.870 -0.310 0.000 1.022 239 L CA -0.474 54.099 54.840 -0.445 0.000 0.814 239 L CB 1.744 43.433 42.059 -0.618 0.000 1.217 239 L HN 0.463 nan 8.230 nan 0.000 0.420 240 V N 5.122 124.832 119.914 -0.340 0.000 2.370 240 V HA 0.331 4.451 4.120 0.001 0.000 0.279 240 V C 0.196 176.177 176.094 -0.188 0.000 1.029 240 V CA -0.678 61.507 62.300 -0.192 0.000 0.870 240 V CB 1.449 33.152 31.823 -0.200 0.000 0.984 240 V HN 0.671 nan 8.190 nan 0.000 0.451 241 E N 2.324 122.460 120.200 -0.105 0.000 2.283 241 E HA 0.616 4.966 4.350 0.001 0.000 0.271 241 E C -0.427 176.072 176.600 -0.169 0.000 1.031 241 E CA -0.130 56.227 56.400 -0.072 0.000 0.868 241 E CB 2.068 31.834 29.700 0.110 0.000 1.094 241 E HN 0.656 nan 8.360 nan 0.000 0.401 242 T N 2.029 116.483 114.554 -0.167 0.000 2.956 242 T HA 0.599 4.949 4.350 0.001 0.000 0.312 242 T C -1.504 173.051 174.700 -0.240 0.000 1.151 242 T CA -0.654 61.248 62.100 -0.329 0.000 1.024 242 T CB 0.714 69.522 68.868 -0.100 0.000 1.140 242 T HN 0.423 nan 8.240 nan 0.000 0.473 243 Y N 0.173 120.287 120.300 -0.311 0.000 2.702 243 Y HA 0.637 5.188 4.550 0.001 0.000 0.336 243 Y C -0.354 175.252 175.900 -0.489 0.000 1.203 243 Y CA -1.925 55.922 58.100 -0.423 0.000 1.072 243 Y CB 0.146 38.233 38.460 -0.623 0.000 1.327 243 Y HN 0.511 nan 8.280 nan 0.000 0.456 244 F N -2.182 117.873 119.950 0.176 0.000 2.277 244 F HA 0.025 4.552 4.527 0.001 0.000 0.483 244 F C 0.260 176.098 175.800 0.063 0.000 0.532 244 F CA 0.333 58.383 58.000 0.084 0.000 1.650 244 F CB -1.755 37.251 39.000 0.010 0.000 2.348 244 F HN 1.389 nan 8.300 nan 0.000 0.257 245 A N -0.484 122.460 122.820 0.208 0.000 2.515 245 A HA 0.539 4.859 4.320 0.001 0.000 0.292 245 A C -0.888 176.746 177.584 0.083 0.000 1.065 245 A CA -0.340 51.778 52.037 0.134 0.000 0.641 245 A CB 0.636 19.713 19.000 0.129 0.000 1.306 245 A HN 0.241 nan 8.150 nan 0.000 0.441 246 D N -0.068 120.360 120.400 0.047 0.000 2.360 246 D HA 0.405 5.046 4.640 0.001 0.000 0.242 246 D C -0.550 175.752 176.300 0.003 0.000 1.184 246 D CA 0.064 54.067 54.000 0.006 0.000 0.930 246 D CB 0.647 41.425 40.800 -0.036 0.000 1.161 246 D HN 0.253 nan 8.370 nan 0.000 0.447 247 I N 1.060 121.621 120.570 -0.016 0.000 2.315 247 I HA 0.221 4.391 4.170 0.001 0.000 0.291 247 I C -2.152 173.948 176.117 -0.028 0.000 1.006 247 I CA -2.198 59.107 61.300 0.009 0.000 1.265 247 I CB 1.109 39.177 38.000 0.113 0.000 1.387 247 I HN 0.153 nan 8.210 nan 0.000 0.475 248 P HA -0.002 nan 4.420 nan 0.000 0.265 248 P C 0.519 177.807 177.300 -0.020 0.000 1.187 248 P CA 0.116 63.196 63.100 -0.034 0.000 0.766 248 P CB 0.770 32.451 31.700 -0.031 0.000 0.820 249 A N 4.140 126.937 122.820 -0.039 0.000 1.881 249 A HA -0.300 4.020 4.320 0.001 0.000 0.219 249 A C 2.012 179.613 177.584 0.029 0.000 1.215 249 A CA 1.837 53.861 52.037 -0.021 0.000 0.648 249 A CB -1.105 17.872 19.000 -0.038 0.000 0.832 249 A HN 0.546 nan 8.150 nan 0.000 0.455 250 E N -0.519 119.680 120.200 -0.001 0.000 2.051 250 E HA -0.138 4.213 4.350 0.001 0.000 0.192 250 E C 2.407 178.992 176.600 -0.026 0.000 0.991 250 E CA 1.300 57.694 56.400 -0.011 0.000 0.799 250 E CB -0.774 28.913 29.700 -0.022 0.000 0.748 250 E HN 0.607 nan 8.360 nan 0.000 0.449 251 A N 0.519 123.316 122.820 -0.038 0.000 1.978 251 A HA -0.230 4.090 4.320 0.001 0.000 0.220 251 A C 2.123 179.665 177.584 -0.070 0.000 1.170 251 A CA 1.554 53.535 52.037 -0.093 0.000 0.636 251 A CB -0.811 18.129 19.000 -0.100 0.000 0.810 251 A HN 0.353 nan 8.150 nan 0.000 0.448 252 Y N 0.363 120.585 120.300 -0.130 0.000 2.293 252 Y HA -0.118 4.432 4.550 0.001 0.000 0.291 252 Y C 2.208 178.011 175.900 -0.163 0.000 1.137 252 Y CA 2.011 60.031 58.100 -0.132 0.000 1.202 252 Y CB -0.160 38.228 38.460 -0.119 0.000 0.990 252 Y HN 0.283 nan 8.280 nan 0.000 0.537 253 K N -0.931 119.411 120.400 -0.097 0.000 2.025 253 K HA -0.117 4.204 4.320 0.001 0.000 0.207 253 K C 2.012 178.484 176.600 -0.213 0.000 1.049 253 K CA 1.853 58.039 56.287 -0.168 0.000 0.933 253 K CB -0.293 32.166 32.500 -0.067 0.000 0.714 253 K HN 0.215 nan 8.250 nan 0.000 0.438 254 T N 2.456 116.909 114.554 -0.169 0.000 2.684 254 T HA -0.145 4.205 4.350 0.001 0.000 0.267 254 T C 1.605 176.174 174.700 -0.219 0.000 1.036 254 T CA 0.984 62.988 62.100 -0.159 0.000 1.148 254 T CB -0.180 68.598 68.868 -0.150 0.000 0.863 254 T HN 0.131 nan 8.240 nan 0.000 0.436 255 L N 1.856 122.902 121.223 -0.295 0.000 1.994 255 L HA -0.102 4.238 4.340 0.001 0.000 0.208 255 L C 2.510 179.143 176.870 -0.396 0.000 1.071 255 L CA 2.477 57.128 54.840 -0.316 0.000 0.745 255 L CB -1.487 40.395 42.059 -0.295 0.000 0.892 255 L HN 0.450 nan 8.230 nan 0.000 0.431 256 T N -3.364 110.745 114.554 -0.743 0.000 3.163 256 T HA -0.035 4.316 4.350 0.001 0.000 0.260 256 T C 1.232 175.701 174.700 -0.385 0.000 1.156 256 T CA 0.708 62.230 62.100 -0.963 0.000 1.072 256 T CB -0.536 67.629 68.868 -1.171 0.000 0.937 256 T HN 0.552 nan 8.240 nan 0.000 0.528 257 S N 0.014 115.575 115.700 -0.231 0.000 2.952 257 S HA 0.419 4.890 4.470 0.001 0.000 0.251 257 S C 0.090 174.653 174.600 -0.061 0.000 1.021 257 S CA -0.852 57.275 58.200 -0.122 0.000 1.067 257 S CB -0.426 62.697 63.200 -0.128 0.000 1.002 257 S HN 0.426 nan 8.310 nan 0.000 0.574 258 L N 2.397 123.592 121.223 -0.047 0.000 2.416 258 L HA 0.359 4.699 4.340 0.001 0.000 0.272 258 L C 0.409 177.285 176.870 0.010 0.000 1.161 258 L CA -0.480 54.334 54.840 -0.043 0.000 0.845 258 L CB 0.467 42.397 42.059 -0.217 0.000 1.119 258 L HN 0.088 nan 8.230 nan 0.000 0.464 259 K N 2.287 122.725 120.400 0.063 0.000 2.401 259 K HA 0.157 4.477 4.320 0.001 0.000 0.278 259 K C 1.042 177.677 176.600 0.059 0.000 1.018 259 K CA 0.736 57.051 56.287 0.046 0.000 0.981 259 K CB 0.718 33.244 32.500 0.042 0.000 0.933 259 K HN 0.906 nan 8.250 nan 0.000 0.477 260 G N 1.047 109.845 108.800 -0.002 0.000 2.234 260 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 260 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 260 G C 0.141 174.995 174.900 -0.076 0.000 0.987 260 G CA 0.197 45.278 45.100 -0.031 0.000 0.625 260 G HN 0.406 nan 8.290 nan 0.000 0.532 261 V N 1.944 121.803 119.914 -0.091 0.000 2.461 261 V HA 0.536 4.657 4.120 0.001 0.000 0.275 261 V C 1.492 177.382 176.094 -0.340 0.000 1.047 261 V CA 1.005 63.161 62.300 -0.239 0.000 0.955 261 V CB 1.332 32.983 31.823 -0.286 0.000 0.988 261 V HN 0.728 nan 8.190 nan 0.000 0.471 262 T N 0.708 115.017 114.554 -0.409 0.000 3.003 262 T HA 0.575 4.925 4.350 0.001 0.000 0.261 262 T C 0.288 174.794 174.700 -0.323 0.000 1.003 262 T CA 0.460 62.376 62.100 -0.308 0.000 0.917 262 T CB 0.530 69.279 68.868 -0.199 0.000 1.084 262 T HN 0.883 nan 8.240 nan 0.000 0.522 263 A N 0.744 123.182 122.820 -0.637 0.000 2.475 263 A HA 0.769 5.089 4.320 0.001 0.000 0.301 263 A C -1.815 175.173 177.584 -0.993 0.000 1.059 263 A CA -0.860 50.856 52.037 -0.534 0.000 0.710 263 A CB 1.249 20.050 19.000 -0.332 0.000 1.288 263 A HN 0.279 nan 8.150 nan 0.000 0.408 264 F N 0.680 120.538 119.950 -0.154 0.000 2.518 264 F HA 0.597 5.125 4.527 0.001 0.000 0.323 264 F C 0.811 176.275 175.800 -0.560 0.000 1.129 264 F CA -0.639 57.117 58.000 -0.406 0.000 0.920 264 F CB 2.512 41.283 39.000 -0.382 0.000 1.160 264 F HN 0.722 nan 8.300 nan 0.000 0.440 265 G N 2.817 111.362 108.800 -0.426 0.000 2.322 265 G HA2 0.588 4.548 3.960 0.001 0.000 0.309 265 G HA3 0.588 4.548 3.960 0.001 0.000 0.309 265 G C -1.572 173.165 174.900 -0.272 0.000 1.121 265 G CA -0.227 44.728 45.100 -0.242 0.000 0.886 265 G HN 0.316 nan 8.290 nan 0.000 0.447 266 F N 0.973 121.041 119.950 0.197 0.000 2.507 266 F HA 0.304 4.831 4.527 0.001 0.000 0.325 266 F C -0.009 175.870 175.800 0.132 0.000 1.116 266 F CA -1.719 56.369 58.000 0.146 0.000 0.930 266 F CB 2.369 41.454 39.000 0.142 0.000 1.146 266 F HN 0.320 nan 8.300 nan 0.000 0.447 267 D N 4.065 124.655 120.400 0.316 0.000 2.344 267 D HA 0.163 4.803 4.640 0.001 0.000 0.253 267 D C 0.188 176.598 176.300 0.182 0.000 1.255 267 D CA 0.240 54.374 54.000 0.223 0.000 0.894 267 D CB 0.609 41.526 40.800 0.194 0.000 1.067 267 D HN 0.577 nan 8.370 nan 0.000 0.492 268 L N 3.574 124.894 121.223 0.162 0.000 2.791 268 L HA 0.133 4.473 4.340 0.001 0.000 0.239 268 L C 1.240 178.164 176.870 0.090 0.000 1.203 268 L CA -0.276 54.629 54.840 0.107 0.000 1.002 268 L CB 0.606 42.725 42.059 0.101 0.000 1.295 268 L HN 0.270 nan 8.230 nan 0.000 0.504 269 V N -1.017 118.962 119.914 0.109 0.000 3.013 269 V HA 0.107 4.227 4.120 0.001 0.000 0.238 269 V C 2.048 178.204 176.094 0.104 0.000 1.161 269 V CA 0.597 62.959 62.300 0.104 0.000 1.170 269 V CB 0.416 32.314 31.823 0.126 0.000 0.917 269 V HN 0.375 nan 8.190 nan 0.000 0.478 270 R N -0.144 120.432 120.500 0.126 0.000 2.365 270 R HA 0.254 4.594 4.340 0.001 0.000 0.223 270 R C 1.207 177.567 176.300 0.101 0.000 0.899 270 R CA 0.686 56.861 56.100 0.126 0.000 1.059 270 R CB 0.923 31.330 30.300 0.178 0.000 1.086 270 R HN 0.456 nan 8.270 nan 0.000 0.522 271 G N 0.562 109.415 108.800 0.088 0.000 4.543 271 G HA2 -0.024 3.936 3.960 0.001 0.000 0.286 271 G HA3 -0.024 3.936 3.960 0.001 0.000 0.286 271 G C 0.885 175.787 174.900 0.003 0.000 1.112 271 G CA -0.169 44.961 45.100 0.050 0.000 0.870 271 G HN 0.160 nan 8.290 nan 0.000 0.540 272 T N -1.240 113.317 114.554 0.005 0.000 2.822 272 T HA -0.204 4.147 4.350 0.001 0.000 0.270 272 T C 2.009 176.665 174.700 -0.073 0.000 1.064 272 T CA 1.473 63.559 62.100 -0.024 0.000 1.131 272 T CB -0.091 68.771 68.868 -0.010 0.000 0.858 272 T HN 0.380 nan 8.240 nan 0.000 0.483 273 K N 0.995 121.353 120.400 -0.071 0.000 2.160 273 K HA -0.146 4.175 4.320 0.001 0.000 0.206 273 K C 2.146 178.643 176.600 -0.171 0.000 1.047 273 K CA 1.619 57.845 56.287 -0.101 0.000 0.930 273 K CB -0.591 31.861 32.500 -0.080 0.000 0.720 273 K HN 0.370 nan 8.250 nan 0.000 0.450 274 T N 1.671 116.101 114.554 -0.208 0.000 2.897 274 T HA -0.116 4.234 4.350 0.001 0.000 0.271 274 T C 1.583 176.023 174.700 -0.433 0.000 1.084 274 T CA 1.022 62.902 62.100 -0.368 0.000 1.123 274 T CB -0.100 68.508 68.868 -0.432 0.000 0.865 274 T HN 0.206 nan 8.240 nan 0.000 0.496 275 L N 0.910 121.960 121.223 -0.289 0.000 2.081 275 L HA -0.186 4.154 4.340 0.001 0.000 0.212 275 L C 2.471 179.204 176.870 -0.229 0.000 1.080 275 L CA 1.251 55.949 54.840 -0.238 0.000 0.754 275 L CB -0.606 41.369 42.059 -0.140 0.000 0.893 275 L HN 0.192 nan 8.230 nan 0.000 0.433 276 D N 0.143 120.415 120.400 -0.214 0.000 2.116 276 D HA -0.204 4.436 4.640 0.001 0.000 0.193 276 D C 2.323 178.483 176.300 -0.234 0.000 0.998 276 D CA 1.379 55.269 54.000 -0.184 0.000 0.836 276 D CB -0.300 40.405 40.800 -0.159 0.000 0.951 276 D HN 0.315 nan 8.370 nan 0.000 0.449 277 L N 0.317 121.306 121.223 -0.390 0.000 2.093 277 L HA -0.122 4.218 4.340 0.001 0.000 0.208 277 L C 2.586 179.210 176.870 -0.410 0.000 1.085 277 L CA 0.455 54.965 54.840 -0.549 0.000 0.755 277 L CB -0.446 40.921 42.059 -1.155 0.000 0.904 277 L HN -0.062 nan 8.230 nan 0.000 0.435 278 V N 0.259 119.962 119.914 -0.351 0.000 2.295 278 V HA -0.289 3.831 4.120 0.001 0.000 0.246 278 V C 2.479 178.585 176.094 0.019 0.000 1.049 278 V CA 1.856 64.135 62.300 -0.036 0.000 1.024 278 V CB -0.525 31.221 31.823 -0.129 0.000 0.648 278 V HN 0.437 nan 8.190 nan 0.000 0.447 279 K N 0.288 120.653 120.400 -0.059 0.000 2.147 279 K HA -0.076 4.244 4.320 0.001 0.000 0.205 279 K C 2.259 178.856 176.600 -0.006 0.000 1.049 279 K CA 1.341 57.611 56.287 -0.029 0.000 0.936 279 K CB -0.383 32.086 32.500 -0.052 0.000 0.722 279 K HN 0.480 nan 8.250 nan 0.000 0.446 280 A N 1.240 124.043 122.820 -0.028 0.000 1.930 280 A HA 0.042 4.362 4.320 0.001 0.000 0.217 280 A C 1.046 178.657 177.584 0.046 0.000 1.175 280 A CA 1.419 53.451 52.037 -0.008 0.000 0.627 280 A CB -0.084 18.891 19.000 -0.041 0.000 0.815 280 A HN 0.366 nan 8.150 nan 0.000 0.443 281 G N -1.921 106.943 108.800 0.107 0.000 2.030 281 G HA2 0.415 4.375 3.960 0.001 0.000 0.309 281 G HA3 0.415 4.375 3.960 0.001 0.000 0.309 281 G C -1.327 173.734 174.900 0.268 0.000 1.668 281 G CA -0.527 44.665 45.100 0.154 0.000 0.926 281 G HN 0.289 nan 8.290 nan 0.000 0.652 282 F N 3.018 123.021 119.950 0.089 0.000 2.492 282 F HA 0.779 5.306 4.527 0.001 0.000 0.327 282 F C -1.840 173.988 175.800 0.048 0.000 1.079 282 F CA -2.151 55.906 58.000 0.095 0.000 0.967 282 F CB 1.904 40.982 39.000 0.131 0.000 1.169 282 F HN 0.348 nan 8.300 nan 0.000 0.472 283 P HA 0.036 nan 4.420 nan 0.000 0.267 283 P C 0.299 177.544 177.300 -0.090 0.000 1.201 283 P CA 0.203 63.097 63.100 -0.344 0.000 0.775 283 P CB 0.556 31.997 31.700 -0.430 0.000 0.854 284 E N 1.304 121.481 120.200 -0.038 0.000 2.059 284 E HA -0.209 4.141 4.350 0.001 0.000 0.237 284 E C 1.133 177.762 176.600 0.049 0.000 1.023 284 E CA 1.803 58.211 56.400 0.013 0.000 0.918 284 E CB -0.769 28.927 29.700 -0.008 0.000 0.824 284 E HN 0.626 nan 8.360 nan 0.000 0.534 285 G N 0.803 109.614 108.800 0.019 0.000 4.873 285 G HA2 0.157 4.117 3.960 0.001 0.000 0.314 285 G HA3 0.157 4.117 3.960 0.001 0.000 0.314 285 G C -0.403 174.486 174.900 -0.020 0.000 1.426 285 G CA -0.457 44.646 45.100 0.006 0.000 1.136 285 G HN -0.129 nan 8.290 nan 0.000 0.589 286 K N 0.432 120.885 120.400 0.088 0.000 2.123 286 K HA 0.411 4.731 4.320 0.001 0.000 0.248 286 K C -0.765 176.017 176.600 0.303 0.000 0.969 286 K CA -0.839 55.532 56.287 0.140 0.000 0.882 286 K CB 1.519 34.127 32.500 0.181 0.000 1.080 286 K HN 0.243 nan 8.250 nan 0.000 0.441 287 Y N 0.498 120.989 120.300 0.319 0.000 2.304 287 Y HA 0.298 4.848 4.550 0.001 0.000 0.327 287 Y C 0.527 176.739 175.900 0.520 0.000 1.209 287 Y CA -0.354 57.986 58.100 0.400 0.000 1.299 287 Y CB 0.819 39.571 38.460 0.487 0.000 1.249 287 Y HN 0.279 nan 8.280 nan 0.000 0.519 288 L N 3.989 125.549 121.223 0.561 0.000 2.342 288 L HA 0.470 4.811 4.340 0.001 0.000 0.276 288 L C -1.729 175.387 176.870 0.411 0.000 0.997 288 L CA -0.684 54.413 54.840 0.429 0.000 0.838 288 L CB 0.332 42.377 42.059 -0.022 0.000 1.224 288 L HN 0.469 nan 8.230 nan 0.000 0.416 289 F N 4.180 124.162 119.950 0.053 0.000 2.375 289 F HA 0.380 4.908 4.527 0.001 0.000 0.362 289 F C 0.891 176.744 175.800 0.089 0.000 1.129 289 F CA -0.688 57.310 58.000 -0.004 0.000 1.154 289 F CB 1.236 40.139 39.000 -0.162 0.000 1.205 289 F HN 0.498 nan 8.300 nan 0.000 0.513 290 A N 3.177 126.108 122.820 0.185 0.000 2.415 290 A HA 0.527 4.847 4.320 0.001 0.000 0.309 290 A C 0.903 178.587 177.584 0.168 0.000 1.356 290 A CA -0.282 51.866 52.037 0.184 0.000 0.998 290 A CB -0.438 18.627 19.000 0.108 0.000 1.145 290 A HN 0.861 nan 8.150 nan 0.000 0.545 291 G N 1.956 110.882 108.800 0.210 0.000 2.821 291 G HA2 0.370 4.331 3.960 0.001 0.000 0.289 291 G HA3 0.370 4.331 3.960 0.001 0.000 0.289 291 G C 0.433 175.416 174.900 0.138 0.000 0.771 291 G CA -0.121 45.089 45.100 0.182 0.000 1.908 291 G HN 0.573 nan 8.290 nan 0.000 0.539 292 V N 2.050 122.025 119.914 0.102 0.000 3.354 292 V HA 0.019 4.139 4.120 0.001 0.000 0.258 292 V C 1.079 177.215 176.094 0.069 0.000 1.159 292 V CA 0.442 62.788 62.300 0.077 0.000 1.125 292 V CB 0.409 32.263 31.823 0.052 0.000 0.774 292 V HN 0.347 nan 8.190 nan 0.000 0.464 293 V N 1.797 121.750 119.914 0.065 0.000 2.364 293 V HA 0.268 4.388 4.120 0.001 0.000 0.272 293 V C -0.157 175.990 176.094 0.088 0.000 1.036 293 V CA -0.685 61.652 62.300 0.062 0.000 0.880 293 V CB 1.330 33.173 31.823 0.033 0.000 0.991 293 V HN 0.355 nan 8.190 nan 0.000 0.460 294 D N 4.427 124.890 120.400 0.105 0.000 2.412 294 D HA 0.180 4.821 4.640 0.001 0.000 0.257 294 D C 1.043 177.404 176.300 0.101 0.000 1.217 294 D CA 0.535 54.607 54.000 0.121 0.000 0.897 294 D CB 1.392 42.280 40.800 0.146 0.000 1.132 294 D HN 0.637 nan 8.370 nan 0.000 0.493 295 G N 3.662 112.527 108.800 0.108 0.000 3.502 295 G HA2 -0.008 3.953 3.960 0.001 0.000 0.267 295 G HA3 -0.008 3.953 3.960 0.001 0.000 0.267 295 G C 1.171 176.150 174.900 0.131 0.000 1.090 295 G CA -0.347 44.802 45.100 0.082 0.000 0.795 295 G HN 0.481 nan 8.290 nan 0.000 0.535 296 R N -0.790 119.809 120.500 0.166 0.000 2.373 296 R HA 0.234 4.575 4.340 0.001 0.000 0.221 296 R C 0.192 176.624 176.300 0.220 0.000 0.893 296 R CA -0.114 56.119 56.100 0.222 0.000 1.049 296 R CB 0.315 30.749 30.300 0.223 0.000 1.119 296 R HN 0.200 nan 8.270 nan 0.000 0.535 297 N N -0.714 118.052 118.700 0.110 0.000 3.167 297 N HA 0.209 4.949 4.740 0.001 0.000 0.323 297 N C -0.552 174.723 175.510 -0.391 0.000 1.478 297 N CA -0.433 52.620 53.050 0.004 0.000 0.753 297 N CB 1.397 39.993 38.487 0.183 0.000 1.721 297 N HN -0.119 nan 8.380 nan 0.000 0.618 298 I N 0.089 120.213 120.570 -0.744 0.000 4.025 298 I HA 0.338 4.508 4.170 0.001 0.000 0.336 298 I C -0.708 175.036 176.117 -0.622 0.000 1.390 298 I CA -0.382 60.383 61.300 -0.893 0.000 1.099 298 I CB 0.004 37.186 38.000 -1.364 0.000 1.049 298 I HN 0.343 nan 8.210 nan 0.000 0.394 299 W N 1.053 122.354 121.300 0.002 0.000 2.375 299 W HA 0.661 5.321 4.660 0.001 0.000 0.336 299 W C 0.649 177.216 176.519 0.081 0.000 1.160 299 W CA -1.016 56.367 57.345 0.064 0.000 1.266 299 W CB 0.484 29.973 29.460 0.049 0.000 1.195 299 W HN -0.040 nan 8.180 nan 0.000 0.599 300 A N 3.171 126.204 122.820 0.355 0.000 2.425 300 A HA 0.083 4.403 4.320 0.001 0.000 0.249 300 A C 0.375 178.106 177.584 0.246 0.000 1.084 300 A CA -0.439 51.745 52.037 0.245 0.000 0.781 300 A CB 0.037 19.151 19.000 0.190 0.000 1.019 300 A HN 0.718 nan 8.150 nan 0.000 0.490 301 N N 1.034 119.898 118.700 0.273 0.000 2.453 301 N HA -0.039 4.701 4.740 0.001 0.000 0.253 301 N C -0.961 174.739 175.510 0.317 0.000 1.252 301 N CA -0.056 53.158 53.050 0.273 0.000 0.917 301 N CB 0.730 39.352 38.487 0.224 0.000 1.117 301 N HN 0.618 nan 8.380 nan 0.000 0.442 302 D N 3.611 124.145 120.400 0.223 0.000 2.494 302 D HA 0.077 4.717 4.640 0.001 0.000 0.217 302 D C 0.914 177.383 176.300 0.282 0.000 1.153 302 D CA -0.442 53.669 54.000 0.184 0.000 0.954 302 D CB -0.412 40.444 40.800 0.093 0.000 1.034 302 D HN 0.326 nan 8.370 nan 0.000 0.518 303 F N 2.480 122.399 119.950 -0.052 0.000 2.063 303 F HA -0.239 4.288 4.527 0.001 0.000 0.298 303 F C 2.515 178.374 175.800 0.099 0.000 1.109 303 F CA 1.232 59.186 58.000 -0.076 0.000 1.212 303 F CB -1.333 37.432 39.000 -0.392 0.000 0.973 303 F HN 0.468 nan 8.300 nan 0.000 0.480 304 A N 0.167 123.184 122.820 0.327 0.000 1.859 304 A HA -0.190 4.131 4.320 0.001 0.000 0.218 304 A C 2.514 180.197 177.584 0.166 0.000 1.209 304 A CA 2.816 54.999 52.037 0.243 0.000 0.639 304 A CB -1.513 17.582 19.000 0.160 0.000 0.835 304 A HN 0.361 nan 8.150 nan 0.000 0.450 305 A N -0.856 122.039 122.820 0.124 0.000 1.892 305 A HA -0.143 4.178 4.320 0.001 0.000 0.218 305 A C 2.474 180.107 177.584 0.083 0.000 1.188 305 A CA 2.439 54.526 52.037 0.084 0.000 0.631 305 A CB -1.130 17.908 19.000 0.064 0.000 0.822 305 A HN 0.515 nan 8.150 nan 0.000 0.447 306 S N -0.328 115.429 115.700 0.095 0.000 2.359 306 S HA -0.143 4.328 4.470 0.001 0.000 0.224 306 S C 1.870 176.514 174.600 0.072 0.000 1.035 306 S CA 1.451 59.692 58.200 0.068 0.000 1.018 306 S CB -0.497 62.723 63.200 0.034 0.000 0.876 306 S HN 0.491 nan 8.310 nan 0.000 0.448 307 L N 0.909 122.203 121.223 0.118 0.000 2.042 307 L HA -0.156 4.185 4.340 0.001 0.000 0.210 307 L C 2.752 179.665 176.870 0.070 0.000 1.076 307 L CA 1.416 56.324 54.840 0.114 0.000 0.749 307 L CB -0.556 41.612 42.059 0.181 0.000 0.893 307 L HN 0.359 nan 8.230 nan 0.000 0.432 308 S N -1.060 114.682 115.700 0.070 0.000 2.370 308 S HA -0.218 4.252 4.470 0.001 0.000 0.226 308 S C 1.889 176.507 174.600 0.029 0.000 1.033 308 S CA 2.177 60.403 58.200 0.044 0.000 1.011 308 S CB -0.175 63.051 63.200 0.043 0.000 0.852 308 S HN 0.485 nan 8.310 nan 0.000 0.457 309 T N 2.616 117.189 114.554 0.032 0.000 2.737 309 T HA 0.074 4.424 4.350 0.001 0.000 0.265 309 T C 1.786 176.495 174.700 0.016 0.000 1.038 309 T CA 1.362 63.474 62.100 0.020 0.000 1.144 309 T CB -0.405 68.478 68.868 0.024 0.000 0.866 309 T HN 0.313 nan 8.240 nan 0.000 0.434 310 L N 0.882 122.119 121.223 0.024 0.000 2.079 310 L HA -0.165 4.176 4.340 0.001 0.000 0.210 310 L C 2.894 179.770 176.870 0.010 0.000 1.081 310 L CA 1.393 56.244 54.840 0.018 0.000 0.752 310 L CB -0.616 41.457 42.059 0.023 0.000 0.896 310 L HN 0.349 nan 8.230 nan 0.000 0.433 311 Q N -0.402 119.406 119.800 0.013 0.000 2.119 311 Q HA -0.157 4.184 4.340 0.001 0.000 0.201 311 Q C 2.463 178.463 176.000 0.000 0.000 0.972 311 Q CA 1.398 57.205 55.803 0.007 0.000 0.847 311 Q CB -0.234 28.510 28.738 0.009 0.000 0.903 311 Q HN 0.563 nan 8.270 nan 0.000 0.433 312 A N 1.128 123.948 122.820 -0.001 0.000 1.902 312 A HA -0.149 4.172 4.320 0.001 0.000 0.217 312 A C 2.081 179.655 177.584 -0.018 0.000 1.181 312 A CA 1.066 53.097 52.037 -0.008 0.000 0.623 312 A CB -0.663 18.331 19.000 -0.010 0.000 0.818 312 A HN 0.278 nan 8.150 nan 0.000 0.443 313 L N -0.915 120.295 121.223 -0.022 0.000 2.131 313 L HA -0.188 4.152 4.340 0.001 0.000 0.210 313 L C 2.563 179.410 176.870 -0.038 0.000 1.092 313 L CA 1.587 56.401 54.840 -0.043 0.000 0.759 313 L CB -0.455 41.580 42.059 -0.040 0.000 0.903 313 L HN 0.534 nan 8.230 nan 0.000 0.435 314 E N 0.199 120.389 120.200 -0.017 0.000 2.110 314 E HA -0.195 4.156 4.350 0.001 0.000 0.193 314 E C 2.197 178.795 176.600 -0.004 0.000 0.988 314 E CA 1.070 57.466 56.400 -0.007 0.000 0.804 314 E CB -0.132 29.568 29.700 0.001 0.000 0.745 314 E HN 0.500 nan 8.360 nan 0.000 0.458 315 G N 1.278 110.074 108.800 -0.006 0.000 2.418 315 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 315 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 315 G C 1.475 176.377 174.900 0.003 0.000 1.158 315 G CA 0.673 45.773 45.100 -0.000 0.000 0.771 315 G HN 0.195 nan 8.290 nan 0.000 0.545 316 I N 0.396 120.961 120.570 -0.007 0.000 2.394 316 I HA -0.044 4.127 4.170 0.001 0.000 0.251 316 I C 2.066 178.196 176.117 0.022 0.000 1.136 316 I CA 1.038 62.340 61.300 0.002 0.000 1.425 316 I CB -0.657 37.323 38.000 -0.035 0.000 1.079 316 I HN 0.187 nan 8.210 nan 0.000 0.425 317 V N -1.305 118.610 119.914 0.002 0.000 4.763 317 V HA 0.453 4.573 4.120 0.001 0.000 0.146 317 V C 1.916 178.020 176.094 0.017 0.000 1.198 317 V CA 0.397 62.714 62.300 0.028 0.000 1.220 317 V CB -0.944 30.894 31.823 0.025 0.000 1.571 317 V HN 0.164 nan 8.190 nan 0.000 0.595 318 G N 1.158 109.963 108.800 0.009 0.000 2.445 318 G HA2 -0.422 3.538 3.960 0.001 0.000 0.257 318 G HA3 -0.422 3.538 3.960 0.001 0.000 0.257 318 G C 0.716 175.630 174.900 0.023 0.000 0.998 318 G CA 1.546 46.655 45.100 0.016 0.000 0.656 318 G HN 0.584 nan 8.290 nan 0.000 0.580 319 K N 1.243 121.655 120.400 0.020 0.000 3.256 319 K HA 0.277 4.598 4.320 0.001 0.000 0.285 319 K C 0.421 177.038 176.600 0.030 0.000 1.086 319 K CA 0.535 56.835 56.287 0.022 0.000 1.125 319 K CB -0.387 32.123 32.500 0.016 0.000 1.292 319 K HN 0.523 nan 8.250 nan 0.000 0.312 320 D N -0.162 120.268 120.400 0.051 0.000 3.051 320 D HA -0.126 4.514 4.640 0.001 0.000 0.218 320 D C 0.229 176.608 176.300 0.132 0.000 1.129 320 D CA 0.682 54.740 54.000 0.098 0.000 0.868 320 D CB -0.443 40.420 40.800 0.106 0.000 1.100 320 D HN 0.215 nan 8.370 nan 0.000 0.429 321 K N -0.193 120.247 120.400 0.067 0.000 2.413 321 K HA 0.230 4.550 4.320 0.001 0.000 0.204 321 K C 0.013 176.722 176.600 0.181 0.000 1.041 321 K CA -0.285 56.016 56.287 0.024 0.000 1.082 321 K CB 1.037 33.467 32.500 -0.118 0.000 0.871 321 K HN 0.245 nan 8.250 nan 0.000 0.535 322 L N 2.286 123.581 121.223 0.119 0.000 2.280 322 L HA 0.399 4.740 4.340 0.001 0.000 0.287 322 L C -1.039 175.825 176.870 -0.010 0.000 1.023 322 L CA -0.511 54.363 54.840 0.057 0.000 0.819 322 L CB 1.286 43.357 42.059 0.020 0.000 1.212 322 L HN -0.276 nan 8.230 nan 0.000 0.420 323 V N 5.739 125.556 119.914 -0.162 0.000 2.459 323 V HA 0.386 4.506 4.120 0.001 0.000 0.295 323 V C 0.202 176.134 176.094 -0.270 0.000 1.029 323 V CA -0.791 61.276 62.300 -0.389 0.000 0.874 323 V CB 2.126 33.200 31.823 -1.249 0.000 0.985 323 V HN 0.507 nan 8.190 nan 0.000 0.438 324 V N 4.087 123.918 119.914 -0.138 0.000 2.488 324 V HA 0.525 4.646 4.120 0.001 0.000 0.277 324 V C 0.452 176.545 176.094 -0.001 0.000 1.046 324 V CA 0.430 62.702 62.300 -0.047 0.000 0.986 324 V CB 1.153 32.959 31.823 -0.028 0.000 0.989 324 V HN 0.972 nan 8.190 nan 0.000 0.475 325 S N 2.969 118.714 115.700 0.075 0.000 2.806 325 S HA 0.755 5.226 4.470 0.001 0.000 0.306 325 S C -0.156 174.527 174.600 0.138 0.000 1.167 325 S CA -0.064 58.249 58.200 0.188 0.000 0.847 325 S CB 2.238 65.682 63.200 0.407 0.000 1.216 325 S HN 0.951 nan 8.310 nan 0.000 0.532 326 T N 0.118 114.756 114.554 0.140 0.000 2.927 326 T HA 0.427 4.777 4.350 0.001 0.000 0.281 326 T C 1.406 176.185 174.700 0.131 0.000 0.998 326 T CA 0.062 62.222 62.100 0.101 0.000 1.019 326 T CB 1.093 69.996 68.868 0.058 0.000 1.061 326 T HN 0.800 nan 8.240 nan 0.000 0.518 327 S N -0.355 115.418 115.700 0.121 0.000 2.423 327 S HA 0.030 4.500 4.470 0.001 0.000 0.231 327 S C 1.192 175.861 174.600 0.114 0.000 1.014 327 S CA 0.201 58.487 58.200 0.143 0.000 0.965 327 S CB -1.370 61.922 63.200 0.152 0.000 0.785 327 S HN 1.316 nan 8.310 nan 0.000 0.495 328 C N -1.239 118.088 119.300 0.045 0.000 3.253 328 C HA 0.750 5.211 4.460 0.001 0.000 0.362 328 C C 0.010 174.932 174.990 -0.113 0.000 1.487 328 C CA -0.647 58.274 59.018 -0.161 0.000 1.179 328 C CB 0.794 28.449 27.740 -0.142 0.000 1.660 328 C HN 0.265 nan 8.230 nan 0.000 0.438 329 S N -0.201 115.362 115.700 -0.228 0.000 2.552 329 S HA 0.247 4.718 4.470 0.001 0.000 0.289 329 S C 0.812 175.367 174.600 -0.075 0.000 1.304 329 S CA -0.396 57.723 58.200 -0.134 0.000 1.063 329 S CB -0.178 62.905 63.200 -0.195 0.000 0.848 329 S HN 0.676 nan 8.310 nan 0.000 0.499 330 L N 5.609 126.763 121.223 -0.115 0.000 2.622 330 L HA -0.017 4.323 4.340 0.001 0.000 0.233 330 L C 2.167 178.868 176.870 -0.282 0.000 1.156 330 L CA 0.025 54.764 54.840 -0.168 0.000 0.866 330 L CB -0.480 41.442 42.059 -0.227 0.000 0.980 330 L HN 0.688 nan 8.230 nan 0.000 0.448 331 L N 0.232 121.240 121.223 -0.358 0.000 2.127 331 L HA -0.228 4.112 4.340 0.001 0.000 0.211 331 L C 2.004 178.584 176.870 -0.484 0.000 1.089 331 L CA 1.916 56.451 54.840 -0.509 0.000 0.757 331 L CB -0.744 40.884 42.059 -0.719 0.000 0.899 331 L HN 0.463 nan 8.230 nan 0.000 0.434 332 H N -0.705 118.331 119.070 -0.057 0.000 2.555 332 H HA 0.163 4.719 4.556 0.001 0.000 0.283 332 H C 0.460 175.832 175.328 0.074 0.000 1.037 332 H CA 0.353 56.428 56.048 0.045 0.000 1.169 332 H CB 0.114 29.955 29.762 0.131 0.000 1.375 332 H HN 0.254 nan 8.280 nan 0.000 0.582 333 T N -0.569 113.994 114.554 0.014 0.000 2.831 333 T HA 0.655 5.006 4.350 0.001 0.000 0.287 333 T C -0.582 173.999 174.700 -0.198 0.000 1.070 333 T CA -0.370 61.677 62.100 -0.087 0.000 1.010 333 T CB 1.643 70.400 68.868 -0.185 0.000 1.264 333 T HN 0.241 nan 8.240 nan 0.000 0.532 334 A N 1.082 123.637 122.820 -0.442 0.000 2.313 334 A HA 0.545 4.865 4.320 0.001 0.000 0.261 334 A C 1.484 178.939 177.584 -0.214 0.000 1.090 334 A CA -0.286 51.486 52.037 -0.441 0.000 0.807 334 A CB -0.001 18.344 19.000 -1.092 0.000 1.055 334 A HN 0.723 nan 8.150 nan 0.000 0.492 335 V N 0.311 120.212 119.914 -0.022 0.000 2.239 335 V HA 0.004 4.124 4.120 0.001 0.000 0.242 335 V C 0.630 176.846 176.094 0.204 0.000 1.038 335 V CA 2.095 64.424 62.300 0.048 0.000 1.002 335 V CB -0.453 31.412 31.823 0.070 0.000 0.641 335 V HN 0.877 nan 8.190 nan 0.000 0.449 336 D N -1.261 119.325 120.400 0.309 0.000 2.855 336 D HA 0.247 4.887 4.640 0.001 0.000 0.241 336 D C 0.372 176.670 176.300 -0.002 0.000 1.277 336 D CA -0.380 53.734 54.000 0.190 0.000 0.918 336 D CB 2.001 42.867 40.800 0.110 0.000 1.462 336 D HN 0.015 nan 8.370 nan 0.000 0.559 337 L N 3.605 124.594 121.223 -0.390 0.000 2.131 337 L HA -0.139 4.201 4.340 0.001 0.000 0.210 337 L C 2.025 178.659 176.870 -0.394 0.000 1.092 337 L CA 0.748 55.056 54.840 -0.886 0.000 0.759 337 L CB -0.051 41.542 42.059 -0.777 0.000 0.903 337 L HN 0.514 nan 8.230 nan 0.000 0.435 338 I N 0.714 121.166 120.570 -0.197 0.000 2.315 338 I HA -0.341 3.829 4.170 0.001 0.000 0.251 338 I C 1.816 177.885 176.117 -0.080 0.000 1.125 338 I CA 1.477 62.711 61.300 -0.110 0.000 1.392 338 I CB -0.364 37.606 38.000 -0.050 0.000 1.065 338 I HN 0.313 nan 8.210 nan 0.000 0.424 339 N N 0.982 119.649 118.700 -0.055 0.000 2.370 339 N HA -0.013 4.727 4.740 0.001 0.000 0.198 339 N C -0.137 175.368 175.510 -0.008 0.000 1.156 339 N CA 0.288 53.337 53.050 -0.000 0.000 0.839 339 N CB -0.009 38.517 38.487 0.065 0.000 0.989 339 N HN 0.335 nan 8.380 nan 0.000 0.468 340 E N 0.550 120.701 120.200 -0.081 0.000 2.014 340 E HA 0.114 4.465 4.350 0.001 0.000 0.275 340 E C 0.639 177.200 176.600 -0.065 0.000 0.997 340 E CA -0.040 56.316 56.400 -0.072 0.000 0.804 340 E CB 0.711 30.314 29.700 -0.162 0.000 1.090 340 E HN 0.186 nan 8.360 nan 0.000 0.401 341 T N -0.718 113.820 114.554 -0.026 0.000 3.176 341 T HA 0.241 4.591 4.350 0.001 0.000 0.263 341 T C 0.914 175.603 174.700 -0.018 0.000 1.021 341 T CA -0.334 61.750 62.100 -0.026 0.000 0.905 341 T CB 0.382 69.244 68.868 -0.011 0.000 1.057 341 T HN -0.008 nan 8.240 nan 0.000 0.558 342 K N 0.682 121.075 120.400 -0.013 0.000 2.380 342 K HA 0.398 4.719 4.320 0.001 0.000 0.200 342 K C 0.734 177.323 176.600 -0.018 0.000 1.201 342 K CA -0.041 56.244 56.287 -0.003 0.000 0.916 342 K CB 0.038 32.552 32.500 0.023 0.000 1.187 342 K HN 0.361 nan 8.250 nan 0.000 0.498 343 L N 4.763 125.970 121.223 -0.027 0.000 2.540 343 L HA -0.044 4.296 4.340 0.001 0.000 0.276 343 L C 0.693 177.502 176.870 -0.102 0.000 1.212 343 L CA -0.011 54.795 54.840 -0.057 0.000 0.893 343 L CB 0.086 42.102 42.059 -0.071 0.000 1.138 343 L HN 0.315 nan 8.230 nan 0.000 0.491 344 D N 2.191 122.515 120.400 -0.127 0.000 2.400 344 D HA -0.092 4.549 4.640 0.001 0.000 0.238 344 D C 0.188 176.365 176.300 -0.204 0.000 1.157 344 D CA -0.528 53.381 54.000 -0.152 0.000 0.889 344 D CB 1.098 41.799 40.800 -0.165 0.000 1.199 344 D HN 0.486 nan 8.370 nan 0.000 0.436 345 D N 0.693 120.985 120.400 -0.180 0.000 2.158 345 D HA -0.223 4.418 4.640 0.001 0.000 0.197 345 D C 1.641 177.770 176.300 -0.286 0.000 0.995 345 D CA 1.331 55.215 54.000 -0.193 0.000 0.846 345 D CB -0.063 40.652 40.800 -0.141 0.000 0.941 345 D HN 0.746 nan 8.370 nan 0.000 0.456 346 E N 0.581 120.562 120.200 -0.365 0.000 2.051 346 E HA -0.143 4.207 4.350 0.001 0.000 0.192 346 E C 2.330 178.276 176.600 -1.089 0.000 0.991 346 E CA 0.510 56.556 56.400 -0.590 0.000 0.799 346 E CB -0.194 29.188 29.700 -0.531 0.000 0.748 346 E HN 0.224 nan 8.360 nan 0.000 0.449 347 I N 0.470 120.464 120.570 -0.961 0.000 2.394 347 I HA -0.254 3.916 4.170 0.001 0.000 0.251 347 I C 1.870 177.720 176.117 -0.444 0.000 1.136 347 I CA 1.221 61.957 61.300 -0.940 0.000 1.425 347 I CB 0.035 37.697 38.000 -0.562 0.000 1.079 347 I HN 0.088 nan 8.210 nan 0.000 0.425 348 K N 0.408 120.602 120.400 -0.345 0.000 2.097 348 K HA -0.137 4.183 4.320 0.001 0.000 0.205 348 K C 2.090 178.598 176.600 -0.154 0.000 1.050 348 K CA 1.635 57.793 56.287 -0.214 0.000 0.938 348 K CB -0.253 32.120 32.500 -0.210 0.000 0.718 348 K HN 0.429 nan 8.250 nan 0.000 0.442 349 S N -0.014 115.560 115.700 -0.211 0.000 2.442 349 S HA -0.109 4.361 4.470 0.001 0.000 0.236 349 S C 0.616 175.297 174.600 0.135 0.000 1.007 349 S CA 0.222 58.373 58.200 -0.082 0.000 0.965 349 S CB -0.329 62.804 63.200 -0.112 0.000 0.773 349 S HN 0.184 nan 8.310 nan 0.000 0.504 353 F N 1.061 120.954 119.950 -0.096 0.000 2.452 353 F HA 0.757 5.284 4.527 0.001 0.000 0.353 353 F C 1.917 177.674 175.800 -0.072 0.000 1.089 353 F CA -0.507 57.418 58.000 -0.125 0.000 1.080 353 F CB 0.631 39.563 39.000 -0.113 0.000 1.399 353 F HN 0.762 nan 8.300 nan 0.000 0.492 354 A N 0.740 123.617 122.820 0.094 0.000 1.884 354 A HA -0.197 4.123 4.320 0.001 0.000 0.219 354 A C 2.179 179.860 177.584 0.161 0.000 1.197 354 A CA 2.856 54.901 52.037 0.013 0.000 0.637 354 A CB -1.494 17.349 19.000 -0.261 0.000 0.827 354 A HN 0.775 nan 8.150 nan 0.000 0.450 355 A N -1.464 121.477 122.820 0.202 0.000 1.908 355 A HA -0.219 4.101 4.320 0.001 0.000 0.218 355 A C 2.073 179.733 177.584 0.127 0.000 1.181 355 A CA 2.115 54.270 52.037 0.197 0.000 0.627 355 A CB -0.543 18.548 19.000 0.152 0.000 0.818 355 A HN 0.546 nan 8.150 nan 0.000 0.445 356 Q N -0.197 119.666 119.800 0.106 0.000 2.167 356 Q HA -0.034 4.306 4.340 0.001 0.000 0.202 356 Q C 1.890 177.946 176.000 0.094 0.000 0.970 356 Q CA 1.614 57.466 55.803 0.082 0.000 0.855 356 Q CB -0.231 28.544 28.738 0.061 0.000 0.911 356 Q HN 0.720 nan 8.270 nan 0.000 0.438 357 K N -0.527 119.934 120.400 0.101 0.000 2.217 357 K HA -0.028 4.292 4.320 0.001 0.000 0.202 357 K C 1.793 178.431 176.600 0.064 0.000 1.051 357 K CA 0.865 57.200 56.287 0.081 0.000 0.952 357 K CB 0.090 32.634 32.500 0.073 0.000 0.736 357 K HN 0.019 nan 8.250 nan 0.000 0.453 358 V N 0.679 120.646 119.914 0.089 0.000 2.453 358 V HA -0.183 3.937 4.120 0.001 0.000 0.247 358 V C 2.121 178.232 176.094 0.029 0.000 1.048 358 V CA 1.289 63.629 62.300 0.065 0.000 1.049 358 V CB -0.165 31.707 31.823 0.082 0.000 0.672 358 V HN 0.064 nan 8.190 nan 0.000 0.457 359 V N 0.006 119.943 119.914 0.039 0.000 2.358 359 V HA -0.229 3.891 4.120 0.001 0.000 0.246 359 V C 2.412 178.504 176.094 -0.004 0.000 1.047 359 V CA 1.900 64.218 62.300 0.030 0.000 1.035 359 V CB -0.599 31.256 31.823 0.054 0.000 0.658 359 V HN 0.620 nan 8.190 nan 0.000 0.452 360 E N 0.021 120.211 120.200 -0.017 0.000 2.031 360 E HA -0.191 4.159 4.350 0.001 0.000 0.193 360 E C 2.293 178.748 176.600 -0.243 0.000 0.994 360 E CA 1.615 57.910 56.400 -0.176 0.000 0.800 360 E CB -0.335 29.308 29.700 -0.095 0.000 0.752 360 E HN 0.433 nan 8.360 nan 0.000 0.447 361 V N 2.425 122.271 119.914 -0.113 0.000 2.324 361 V HA -0.286 3.835 4.120 0.001 0.000 0.250 361 V C 1.994 178.045 176.094 -0.071 0.000 1.060 361 V CA 1.729 63.981 62.300 -0.080 0.000 1.042 361 V CB -0.531 31.279 31.823 -0.020 0.000 0.650 361 V HN 0.296 nan 8.190 nan 0.000 0.450 362 N N 0.041 118.711 118.700 -0.051 0.000 2.216 362 N HA -0.078 4.662 4.740 0.001 0.000 0.183 362 N C 1.922 177.423 175.510 -0.016 0.000 1.017 362 N CA 1.495 54.529 53.050 -0.027 0.000 0.861 362 N CB -0.204 38.275 38.487 -0.013 0.000 0.986 362 N HN 0.501 nan 8.380 nan 0.000 0.428 363 A N 1.510 124.303 122.820 -0.045 0.000 1.902 363 A HA -0.051 4.270 4.320 0.001 0.000 0.217 363 A C 2.385 180.017 177.584 0.080 0.000 1.181 363 A CA 0.844 52.895 52.037 0.025 0.000 0.623 363 A CB -0.656 18.300 19.000 -0.073 0.000 0.818 363 A HN 0.174 nan 8.150 nan 0.000 0.443 364 L N -0.861 120.309 121.223 -0.090 0.000 2.046 364 L HA -0.188 4.153 4.340 0.001 0.000 0.208 364 L C 3.118 180.012 176.870 0.040 0.000 1.077 364 L CA 1.069 55.908 54.840 -0.001 0.000 0.747 364 L CB -0.593 41.392 42.059 -0.124 0.000 0.896 364 L HN 0.442 nan 8.230 nan 0.000 0.432 365 A N -0.318 122.503 122.820 0.003 0.000 1.902 365 A HA -0.183 4.137 4.320 0.001 0.000 0.217 365 A C 2.338 179.933 177.584 0.017 0.000 1.181 365 A CA 1.444 53.483 52.037 0.003 0.000 0.623 365 A CB -0.273 18.720 19.000 -0.013 0.000 0.818 365 A HN 0.178 nan 8.150 nan 0.000 0.443 366 K N -0.188 120.233 120.400 0.035 0.000 2.057 366 K HA 0.020 4.341 4.320 0.001 0.000 0.206 366 K C 2.283 178.900 176.600 0.028 0.000 1.050 366 K CA 1.252 57.559 56.287 0.034 0.000 0.935 366 K CB -0.812 31.720 32.500 0.053 0.000 0.715 366 K HN 0.437 nan 8.250 nan 0.000 0.439 367 A N 1.445 124.299 122.820 0.057 0.000 1.908 367 A HA -0.132 4.189 4.320 0.001 0.000 0.218 367 A C 2.278 179.841 177.584 -0.035 0.000 1.181 367 A CA 1.278 53.295 52.037 -0.033 0.000 0.627 367 A CB -0.639 18.345 19.000 -0.027 0.000 0.818 367 A HN 0.204 nan 8.150 nan 0.000 0.445 368 L N -1.157 120.069 121.223 0.004 0.000 2.201 368 L HA -0.116 4.225 4.340 0.001 0.000 0.212 368 L C 2.698 179.565 176.870 -0.005 0.000 1.105 368 L CA 0.830 55.670 54.840 -0.001 0.000 0.775 368 L CB -0.321 41.744 42.059 0.010 0.000 0.913 368 L HN 0.444 nan 8.230 nan 0.000 0.440 369 A N -0.749 122.069 122.820 -0.003 0.000 2.251 369 A HA 0.316 4.636 4.320 0.001 0.000 0.209 369 A C 1.718 179.296 177.584 -0.010 0.000 1.187 369 A CA 0.730 52.766 52.037 -0.003 0.000 0.823 369 A CB -0.252 18.748 19.000 0.000 0.000 0.846 369 A HN 0.501 nan 8.150 nan 0.000 0.486 370 G N -1.199 107.588 108.800 -0.022 0.000 2.175 370 G HA2 -0.253 3.708 3.960 0.001 0.000 0.244 370 G HA3 -0.253 3.708 3.960 0.001 0.000 0.244 370 G C 0.201 175.082 174.900 -0.031 0.000 0.982 370 G CA 0.330 45.412 45.100 -0.030 0.000 0.641 370 G HN 0.603 nan 8.290 nan 0.000 0.527 371 Q N 0.244 120.031 119.800 -0.023 0.000 2.553 371 Q HA 0.321 4.661 4.340 0.001 0.000 0.395 371 Q C 0.398 176.392 176.000 -0.011 0.000 0.971 371 Q CA -0.339 55.456 55.803 -0.013 0.000 1.090 371 Q CB 0.720 29.459 28.738 0.000 0.000 1.328 371 Q HN 0.452 nan 8.270 nan 0.000 0.413 372 K N 1.814 122.180 120.400 -0.058 0.000 2.436 372 K HA -0.060 4.260 4.320 0.001 0.000 0.282 372 K C -0.384 176.204 176.600 -0.021 0.000 1.044 372 K CA -0.022 56.200 56.287 -0.109 0.000 1.028 372 K CB 0.487 32.808 32.500 -0.299 0.000 0.919 372 K HN 0.110 nan 8.250 nan 0.000 0.474 373 D N 4.617 125.087 120.400 0.117 0.000 2.435 373 D HA -0.009 4.631 4.640 0.001 0.000 0.230 373 D C 0.555 176.988 176.300 0.221 0.000 1.215 373 D CA 0.078 54.178 54.000 0.165 0.000 0.947 373 D CB 0.812 41.738 40.800 0.211 0.000 1.048 373 D HN 0.581 nan 8.370 nan 0.000 0.512 374 E N 2.532 122.792 120.200 0.101 0.000 2.273 374 E HA -0.167 4.183 4.350 0.001 0.000 0.198 374 E C 1.688 178.376 176.600 0.147 0.000 1.002 374 E CA 1.150 57.608 56.400 0.098 0.000 0.828 374 E CB 0.030 29.750 29.700 0.034 0.000 0.747 374 E HN 0.579 nan 8.360 nan 0.000 0.491 375 A N -0.487 122.412 122.820 0.132 0.000 2.016 375 A HA -0.027 4.293 4.320 0.001 0.000 0.217 375 A C 2.090 179.743 177.584 0.115 0.000 1.162 375 A CA 0.702 52.800 52.037 0.101 0.000 0.662 375 A CB -0.278 18.764 19.000 0.071 0.000 0.812 375 A HN 0.268 nan 8.150 nan 0.000 0.450 376 L N -2.156 119.183 121.223 0.193 0.000 2.068 376 L HA -0.051 4.290 4.340 0.001 0.000 0.204 376 L C 2.318 179.213 176.870 0.040 0.000 1.076 376 L CA 0.999 55.926 54.840 0.145 0.000 0.753 376 L CB -0.569 41.638 42.059 0.248 0.000 0.910 376 L HN 0.337 nan 8.230 nan 0.000 0.439 377 F N 0.041 120.043 119.950 0.087 0.000 2.216 377 F HA -0.192 4.335 4.527 0.001 0.000 0.300 377 F C 2.721 178.486 175.800 -0.059 0.000 1.085 377 F CA 1.251 59.278 58.000 0.044 0.000 1.326 377 F CB -0.654 38.433 39.000 0.146 0.000 1.027 377 F HN -0.023 nan 8.300 nan 0.000 0.497 378 S N -0.246 115.538 115.700 0.140 0.000 2.371 378 S HA -0.096 4.374 4.470 0.001 0.000 0.224 378 S C 2.384 176.975 174.600 -0.016 0.000 1.029 378 S CA 0.919 59.153 58.200 0.058 0.000 0.978 378 S CB -0.628 62.607 63.200 0.059 0.000 0.833 378 S HN 0.348 nan 8.310 nan 0.000 0.466 379 A N 2.254 125.048 122.820 -0.044 0.000 1.933 379 A HA -0.135 4.185 4.320 0.001 0.000 0.218 379 A C 1.974 179.469 177.584 -0.148 0.000 1.175 379 A CA 1.448 53.439 52.037 -0.077 0.000 0.628 379 A CB -0.724 18.234 19.000 -0.071 0.000 0.814 379 A HN 0.563 nan 8.150 nan 0.000 0.444 380 N N 0.278 118.799 118.700 -0.298 0.000 2.142 380 N HA -0.116 4.624 4.740 0.001 0.000 0.186 380 N C 1.974 177.337 175.510 -0.245 0.000 1.023 380 N CA 1.328 54.101 53.050 -0.461 0.000 0.852 380 N CB -0.197 37.585 38.487 -1.175 0.000 0.998 380 N HN 0.357 nan 8.380 nan 0.000 0.424 381 A N 1.065 123.793 122.820 -0.154 0.000 1.908 381 A HA -0.037 4.283 4.320 0.001 0.000 0.218 381 A C 2.395 179.960 177.584 -0.032 0.000 1.181 381 A CA 1.927 53.931 52.037 -0.055 0.000 0.627 381 A CB -0.906 18.096 19.000 0.004 0.000 0.818 381 A HN 0.473 nan 8.150 nan 0.000 0.445 382 A N -0.217 122.588 122.820 -0.026 0.000 1.902 382 A HA 0.176 4.496 4.320 0.001 0.000 0.217 382 A C 2.528 180.133 177.584 0.035 0.000 1.181 382 A CA 2.119 54.158 52.037 0.004 0.000 0.623 382 A CB -1.060 17.940 19.000 0.001 0.000 0.818 382 A HN 1.058 nan 8.150 nan 0.000 0.443 383 A N -0.153 122.686 122.820 0.031 0.000 1.877 383 A HA -0.070 4.251 4.320 0.001 0.000 0.216 383 A C 2.176 179.845 177.584 0.142 0.000 1.186 383 A CA 1.537 53.657 52.037 0.138 0.000 0.620 383 A CB -0.700 18.364 19.000 0.108 0.000 0.822 383 A HN 0.470 nan 8.150 nan 0.000 0.443 384 L N -0.839 120.392 121.223 0.014 0.000 2.079 384 L HA -0.237 4.103 4.340 0.001 0.000 0.210 384 L C 3.100 179.922 176.870 -0.079 0.000 1.081 384 L CA 1.090 55.893 54.840 -0.061 0.000 0.752 384 L CB -0.590 41.431 42.059 -0.064 0.000 0.896 384 L HN 0.482 nan 8.230 nan 0.000 0.433 385 A N 0.244 123.050 122.820 -0.023 0.000 1.855 385 A HA -0.223 4.097 4.320 0.001 0.000 0.215 385 A C 2.543 180.131 177.584 0.006 0.000 1.191 385 A CA 1.976 54.003 52.037 -0.017 0.000 0.613 385 A CB -0.848 18.154 19.000 0.004 0.000 0.829 385 A HN 0.506 nan 8.150 nan 0.000 0.442 386 S N -0.033 115.720 115.700 0.089 0.000 2.383 386 S HA -0.269 4.201 4.470 0.001 0.000 0.229 386 S C 2.085 176.795 174.600 0.184 0.000 1.030 386 S CA 1.553 59.862 58.200 0.182 0.000 1.002 386 S CB -0.531 62.841 63.200 0.287 0.000 0.829 386 S HN 0.625 nan 8.310 nan 0.000 0.467 387 R N 1.340 121.821 120.500 -0.031 0.000 2.066 387 R HA 0.057 4.398 4.340 0.001 0.000 0.232 387 R C 2.454 178.452 176.300 -0.503 0.000 1.131 387 R CA 1.241 56.843 56.100 -0.830 0.000 0.955 387 R CB -0.194 29.157 30.300 -1.580 0.000 0.851 387 R HN 0.412 nan 8.270 nan 0.000 0.432 388 R N -0.147 120.170 120.500 -0.304 0.000 2.316 388 R HA -0.019 4.321 4.340 0.001 0.000 0.202 388 R C 1.529 177.757 176.300 -0.120 0.000 1.029 388 R CA 1.214 57.188 56.100 -0.210 0.000 1.018 388 R CB 0.204 30.410 30.300 -0.156 0.000 0.888 388 R HN 0.322 nan 8.270 nan 0.000 0.471 389 S N -1.953 113.703 115.700 -0.073 0.000 2.687 389 S HA 0.098 4.569 4.470 0.001 0.000 0.247 389 S C 0.523 175.137 174.600 0.022 0.000 1.050 389 S CA -0.616 57.573 58.200 -0.018 0.000 1.063 389 S CB 0.673 63.874 63.200 0.003 0.000 1.039 389 S HN 0.037 nan 8.310 nan 0.000 0.580 390 S N 2.912 118.640 115.700 0.046 0.000 2.549 390 S HA 0.344 4.814 4.470 0.001 0.000 0.283 390 S C -1.810 172.854 174.600 0.106 0.000 1.320 390 S CA -0.987 57.294 58.200 0.136 0.000 1.058 390 S CB 0.863 64.258 63.200 0.324 0.000 0.882 390 S HN 0.156 nan 8.310 nan 0.000 0.498 391 P HA 0.080 nan 4.420 nan 0.000 0.229 391 P C 0.932 178.317 177.300 0.142 0.000 1.160 391 P CA 0.586 63.745 63.100 0.098 0.000 0.777 391 P CB 0.150 31.900 31.700 0.082 0.000 0.814 392 R N -0.678 119.952 120.500 0.216 0.000 2.120 392 R HA -0.055 4.286 4.340 0.001 0.000 0.234 392 R C 1.890 178.414 176.300 0.373 0.000 1.123 392 R CA 1.090 57.387 56.100 0.329 0.000 0.975 392 R CB -1.150 29.393 30.300 0.406 0.000 0.866 392 R HN 0.130 nan 8.270 nan 0.000 0.446 393 V N 0.232 120.307 119.914 0.268 0.000 2.273 393 V HA -0.086 4.034 4.120 0.001 0.000 0.242 393 V C 1.005 177.119 176.094 0.034 0.000 1.035 393 V CA 1.440 63.821 62.300 0.135 0.000 1.013 393 V CB -0.154 31.637 31.823 -0.054 0.000 0.652 393 V HN 0.252 nan 8.190 nan 0.000 0.452 394 T N 2.234 116.800 114.554 0.021 0.000 2.837 394 T HA 0.417 4.768 4.350 0.001 0.000 0.285 394 T C -0.279 174.436 174.700 0.025 0.000 0.984 394 T CA -0.219 61.882 62.100 0.001 0.000 1.049 394 T CB 1.138 69.996 68.868 -0.018 0.000 0.947 394 T HN 0.404 nan 8.240 nan 0.000 0.472 395 N N 0.816 119.526 118.700 0.017 0.000 2.732 395 N HA 0.105 4.845 4.740 0.001 0.000 0.259 395 N C 0.029 175.550 175.510 0.017 0.000 1.402 395 N CA -0.533 52.533 53.050 0.027 0.000 0.829 395 N CB 1.825 40.335 38.487 0.038 0.000 1.495 395 N HN 0.287 nan 8.380 nan 0.000 0.511 396 E N 0.645 120.858 120.200 0.021 0.000 2.527 396 E HA -0.018 4.333 4.350 0.001 0.000 0.204 396 E C 1.279 177.887 176.600 0.014 0.000 1.132 396 E CA 0.333 56.742 56.400 0.016 0.000 0.905 396 E CB -0.821 28.890 29.700 0.018 0.000 0.875 396 E HN 0.715 nan 8.360 nan 0.000 0.548 397 G N 0.544 109.353 108.800 0.016 0.000 2.471 397 G HA2 -0.166 3.794 3.960 0.001 0.000 0.219 397 G HA3 -0.166 3.794 3.960 0.001 0.000 0.219 397 G C 1.660 176.566 174.900 0.009 0.000 1.125 397 G CA 0.214 45.323 45.100 0.015 0.000 0.775 397 G HN 0.255 nan 8.290 nan 0.000 0.548 398 V N 0.283 120.200 119.914 0.005 0.000 2.594 398 V HA -0.194 3.926 4.120 0.001 0.000 0.253 398 V C 2.810 178.906 176.094 0.004 0.000 1.069 398 V CA 1.818 64.120 62.300 0.002 0.000 1.082 398 V CB -0.103 31.718 31.823 -0.003 0.000 0.680 398 V HN 0.357 nan 8.190 nan 0.000 0.469 399 Q N 0.650 120.453 119.800 0.005 0.000 1.967 399 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 399 Q C 2.394 178.394 176.000 0.000 0.000 0.985 399 Q CA 1.726 57.532 55.803 0.003 0.000 0.839 399 Q CB -0.309 28.432 28.738 0.006 0.000 0.906 399 Q HN 0.401 nan 8.270 nan 0.000 0.423 400 K N 0.312 120.713 120.400 0.001 0.000 2.063 400 K HA -0.121 4.199 4.320 0.001 0.000 0.208 400 K C 2.029 178.621 176.600 -0.012 0.000 1.048 400 K CA 1.158 57.442 56.287 -0.005 0.000 0.928 400 K CB -0.552 31.948 32.500 -0.001 0.000 0.713 400 K HN 0.302 nan 8.250 nan 0.000 0.442 401 A N 1.483 124.302 122.820 -0.002 0.000 1.869 401 A HA -0.139 4.181 4.320 0.001 0.000 0.218 401 A C 1.364 178.941 177.584 -0.011 0.000 1.203 401 A CA 1.854 53.892 52.037 0.002 0.000 0.638 401 A CB -0.752 18.259 19.000 0.019 0.000 0.831 401 A HN 0.333 nan 8.150 nan 0.000 0.450 402 A N -1.619 121.200 122.820 -0.002 0.000 2.475 402 A HA 0.557 4.877 4.320 0.001 0.000 0.293 402 A C 0.752 178.328 177.584 -0.012 0.000 1.252 402 A CA 0.827 52.862 52.037 -0.002 0.000 0.920 402 A CB -0.503 18.500 19.000 0.004 0.000 1.125 402 A HN 1.945 nan 8.150 nan 0.000 0.528 403 A N 1.782 124.587 122.820 -0.025 0.000 2.435 403 A HA 0.312 4.632 4.320 0.001 0.000 0.212 403 A C 1.646 179.203 177.584 -0.045 0.000 2.733 403 A CA 0.799 52.820 52.037 -0.027 0.000 1.528 403 A CB -1.333 17.652 19.000 -0.025 0.000 0.652 403 A HN 1.928 nan 8.150 nan 0.000 0.495 404 A N 0.260 123.027 122.820 -0.088 0.000 2.178 404 A HA 0.210 4.530 4.320 0.001 0.000 0.218 404 A C 1.629 179.159 177.584 -0.090 0.000 1.157 404 A CA 1.485 53.430 52.037 -0.154 0.000 0.689 404 A CB -0.509 18.279 19.000 -0.354 0.000 0.787 404 A HN 0.535 nan 8.150 nan 0.000 0.465 405 L N -0.327 120.869 121.223 -0.044 0.000 2.456 405 L HA -0.029 4.311 4.340 0.001 0.000 0.224 405 L C 1.536 178.411 176.870 0.008 0.000 1.148 405 L CA 1.108 55.946 54.840 -0.003 0.000 0.825 405 L CB -1.100 40.965 42.059 0.010 0.000 0.937 405 L HN 0.465 nan 8.230 nan 0.000 0.450 406 K N 1.516 121.915 120.400 -0.001 0.000 2.307 406 K HA 0.136 4.456 4.320 0.001 0.000 0.219 406 K C 0.877 177.486 176.600 0.014 0.000 1.220 406 K CA 0.523 56.813 56.287 0.005 0.000 1.208 406 K CB -0.638 31.862 32.500 -0.001 0.000 1.270 406 K HN 0.308 nan 8.250 nan 0.000 0.225 407 G N 1.569 110.378 108.800 0.015 0.000 2.649 407 G HA2 -0.371 3.590 3.960 0.001 0.000 0.281 407 G HA3 -0.371 3.590 3.960 0.001 0.000 0.281 407 G C 0.039 174.938 174.900 -0.002 0.000 1.325 407 G CA -0.037 45.067 45.100 0.006 0.000 0.916 407 G HN 0.764 nan 8.290 nan 0.000 0.562 408 S N -1.141 114.531 115.700 -0.048 0.000 2.680 408 S HA 0.393 4.863 4.470 0.001 0.000 0.249 408 S C 0.220 174.835 174.600 0.024 0.000 1.358 408 S CA 1.146 59.262 58.200 -0.140 0.000 0.963 408 S CB 0.776 63.963 63.200 -0.023 0.000 0.984 408 S HN 0.821 nan 8.310 nan 0.000 0.584 409 D N -0.990 119.431 120.400 0.034 0.000 2.997 409 D HA 0.322 4.963 4.640 0.001 0.000 0.362 409 D C -1.182 175.143 176.300 0.042 0.000 1.298 409 D CA -0.230 53.822 54.000 0.088 0.000 0.756 409 D CB 0.018 40.906 40.800 0.146 0.000 1.216 409 D HN 0.525 nan 8.370 nan 0.000 0.496 410 H N 0.395 119.456 119.070 -0.013 0.000 2.790 410 H HA 0.252 4.809 4.556 0.001 0.000 0.358 410 H C 0.717 176.035 175.328 -0.015 0.000 1.103 410 H CA 0.275 56.315 56.048 -0.013 0.000 1.426 410 H CB 0.744 30.495 29.762 -0.018 0.000 1.424 410 H HN -0.042 nan 8.280 nan 0.000 0.599 411 R N 2.124 122.681 120.500 0.095 0.000 2.590 411 R HA 0.056 4.396 4.340 0.001 0.000 0.274 411 R C 0.156 176.489 176.300 0.056 0.000 1.061 411 R CA -0.618 55.507 56.100 0.043 0.000 1.081 411 R CB 0.448 30.758 30.300 0.015 0.000 0.984 411 R HN 0.480 nan 8.270 nan 0.000 0.448 412 R N 2.879 123.396 120.500 0.029 0.000 4.465 412 R HA -0.240 4.101 4.340 0.001 0.000 0.211 412 R C 1.193 177.502 176.300 0.014 0.000 0.394 412 R CA 0.968 57.079 56.100 0.018 0.000 0.944 412 R CB -1.646 28.658 30.300 0.007 0.000 0.933 412 R HN 0.932 nan 8.270 nan 0.000 0.283 413 A N 2.868 125.694 122.820 0.010 0.000 1.833 413 A HA -0.391 3.929 4.320 0.001 0.000 0.360 413 A C 0.825 178.408 177.584 -0.001 0.000 5.277 413 A CA 2.578 54.608 52.037 -0.011 0.000 1.033 413 A CB -1.818 17.168 19.000 -0.024 0.000 0.922 413 A HN 0.744 nan 8.150 nan 0.000 0.549 414 T N 1.893 116.445 114.554 -0.004 0.000 2.378 414 T HA -0.143 4.207 4.350 0.001 0.000 0.349 414 T C 0.354 175.052 174.700 -0.002 0.000 1.096 414 T CA 0.763 62.861 62.100 -0.004 0.000 3.695 414 T CB -1.250 67.617 68.868 -0.001 0.000 0.700 414 T HN 0.910 nan 8.240 nan 0.000 0.241 415 N N 1.999 120.694 118.700 -0.009 0.000 2.329 415 N HA -0.062 4.679 4.740 0.001 0.000 0.237 415 N C 1.536 177.034 175.510 -0.019 0.000 1.258 415 N CA 0.235 53.278 53.050 -0.012 0.000 0.866 415 N CB 0.849 39.325 38.487 -0.018 0.000 1.102 415 N HN 0.385 nan 8.380 nan 0.000 0.440 416 V N 3.045 122.940 119.914 -0.032 0.000 2.392 416 V HA -0.264 3.856 4.120 0.001 0.000 0.249 416 V C 2.457 178.518 176.094 -0.054 0.000 1.059 416 V CA 2.875 65.144 62.300 -0.052 0.000 1.051 416 V CB -0.794 30.969 31.823 -0.099 0.000 0.658 416 V HN 0.877 nan 8.190 nan 0.000 0.455 417 S N 0.672 116.339 115.700 -0.056 0.000 2.368 417 S HA -0.119 4.351 4.470 0.001 0.000 0.225 417 S C 2.108 176.693 174.600 -0.025 0.000 1.030 417 S CA 1.551 59.725 58.200 -0.044 0.000 0.999 417 S CB -0.772 62.404 63.200 -0.041 0.000 0.844 417 S HN 0.898 nan 8.310 nan 0.000 0.459 418 A N 1.795 124.604 122.820 -0.020 0.000 1.929 418 A HA 0.152 4.472 4.320 0.001 0.000 0.216 418 A C 2.318 179.897 177.584 -0.008 0.000 1.176 418 A CA 1.111 53.141 52.037 -0.012 0.000 0.628 418 A CB -0.661 18.333 19.000 -0.010 0.000 0.816 418 A HN 0.539 nan 8.150 nan 0.000 0.444 419 R N -0.420 120.074 120.500 -0.010 0.000 2.096 419 R HA -0.037 4.304 4.340 0.001 0.000 0.235 419 R C 1.862 178.162 176.300 0.001 0.000 1.127 419 R CA 1.288 57.385 56.100 -0.005 0.000 0.968 419 R CB -0.375 29.920 30.300 -0.008 0.000 0.861 419 R HN 0.535 nan 8.270 nan 0.000 0.440 420 L N 0.380 121.601 121.223 -0.003 0.000 2.131 420 L HA -0.205 4.136 4.340 0.001 0.000 0.210 420 L C 1.797 178.677 176.870 0.016 0.000 1.092 420 L CA 1.075 55.922 54.840 0.012 0.000 0.759 420 L CB -0.389 41.674 42.059 0.007 0.000 0.903 420 L HN 0.246 nan 8.230 nan 0.000 0.435 421 D N 0.251 120.655 120.400 0.006 0.000 2.097 421 D HA -0.175 4.466 4.640 0.001 0.000 0.195 421 D C 2.217 178.523 176.300 0.009 0.000 0.989 421 D CA 1.617 55.620 54.000 0.005 0.000 0.827 421 D CB 0.057 40.856 40.800 -0.001 0.000 0.966 421 D HN 0.326 nan 8.370 nan 0.000 0.456 422 A N 0.967 123.793 122.820 0.010 0.000 1.933 422 A HA -0.225 4.095 4.320 0.001 0.000 0.218 422 A C 2.126 179.723 177.584 0.021 0.000 1.175 422 A CA 1.399 53.443 52.037 0.012 0.000 0.628 422 A CB -0.537 18.469 19.000 0.010 0.000 0.814 422 A HN 0.269 nan 8.150 nan 0.000 0.444 423 Q N -1.137 118.681 119.800 0.029 0.000 2.079 423 Q HA -0.156 4.184 4.340 0.001 0.000 0.200 423 Q C 2.182 178.213 176.000 0.051 0.000 0.974 423 Q CA 1.167 56.998 55.803 0.047 0.000 0.840 423 Q CB -0.217 28.558 28.738 0.062 0.000 0.898 423 Q HN 0.547 nan 8.270 nan 0.000 0.430 424 Q N 1.133 120.957 119.800 0.040 0.000 2.226 424 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 424 Q C 1.823 177.834 176.000 0.017 0.000 0.975 424 Q CA 1.144 56.963 55.803 0.027 0.000 0.866 424 Q CB 0.004 28.748 28.738 0.010 0.000 0.915 424 Q HN 0.295 nan 8.270 nan 0.000 0.440 425 K N 0.271 120.681 120.400 0.017 0.000 2.057 425 K HA -0.163 4.157 4.320 0.001 0.000 0.206 425 K C 1.704 178.314 176.600 0.016 0.000 1.050 425 K CA 1.198 57.492 56.287 0.012 0.000 0.935 425 K CB 0.203 32.709 32.500 0.010 0.000 0.715 425 K HN -0.146 nan 8.250 nan 0.000 0.439 426 K N 0.371 120.786 120.400 0.024 0.000 2.228 426 K HA 0.089 4.409 4.320 0.001 0.000 0.202 426 K C 0.202 176.823 176.600 0.034 0.000 1.051 426 K CA 0.676 56.980 56.287 0.028 0.000 0.960 426 K CB 0.242 32.762 32.500 0.034 0.000 0.743 426 K HN 0.138 nan 8.250 nan 0.000 0.458 427 L N 1.449 122.697 121.223 0.042 0.000 2.387 427 L HA 0.315 4.656 4.340 0.001 0.000 0.259 427 L C -0.165 176.718 176.870 0.023 0.000 1.050 427 L CA -0.707 54.162 54.840 0.048 0.000 0.922 427 L CB 0.814 42.926 42.059 0.089 0.000 1.280 427 L HN -0.103 nan 8.230 nan 0.000 0.449 428 N N 3.250 121.956 118.700 0.010 0.000 3.059 428 N HA 0.106 4.847 4.740 0.001 0.000 0.321 428 N C -0.290 175.207 175.510 -0.022 0.000 1.224 428 N CA 0.182 53.228 53.050 -0.007 0.000 1.197 428 N CB -0.157 38.327 38.487 -0.006 0.000 1.453 428 N HN 0.498 nan 8.380 nan 0.000 0.544 429 L N 1.289 122.489 121.223 -0.037 0.000 2.417 429 L HA 0.407 4.747 4.340 0.001 0.000 0.268 429 L C -1.362 175.445 176.870 -0.106 0.000 1.158 429 L CA -1.583 53.208 54.840 -0.082 0.000 0.819 429 L CB 0.390 42.367 42.059 -0.137 0.000 1.112 429 L HN 0.279 nan 8.230 nan 0.000 0.458 430 P HA 0.293 nan 4.420 nan 0.000 0.293 430 P C -0.480 176.726 177.300 -0.156 0.000 1.304 430 P CA -0.586 62.448 63.100 -0.110 0.000 0.767 430 P CB 0.914 32.562 31.700 -0.086 0.000 1.247 431 I N -0.517 119.979 120.570 -0.124 0.000 2.696 431 I HA -0.023 4.148 4.170 0.001 0.000 0.284 431 I C 0.480 176.502 176.117 -0.159 0.000 1.129 431 I CA -0.458 60.760 61.300 -0.136 0.000 1.410 431 I CB -0.382 37.567 38.000 -0.085 0.000 1.399 431 I HN 0.158 nan 8.210 nan 0.000 0.579 432 L N 4.125 125.232 121.223 -0.193 0.000 3.713 432 L HA -0.157 4.183 4.340 0.001 0.000 0.499 432 L C -2.026 174.722 176.870 -0.203 0.000 1.281 432 L CA 0.204 54.942 54.840 -0.171 0.000 0.796 432 L CB -2.268 39.744 42.059 -0.078 0.000 1.535 432 L HN 0.534 nan 8.230 nan 0.000 0.851 433 P HA 0.242 nan 4.420 nan 0.000 0.271 433 P C 0.111 177.360 177.300 -0.084 0.000 1.233 433 P CA -0.031 62.866 63.100 -0.339 0.000 0.789 433 P CB 0.733 31.987 31.700 -0.743 0.000 0.951 434 T N -2.348 112.227 114.554 0.035 0.000 2.912 434 T HA 0.709 5.060 4.350 0.001 0.000 0.288 434 T C -0.312 174.519 174.700 0.219 0.000 1.030 434 T CA -0.654 61.529 62.100 0.137 0.000 1.020 434 T CB 1.586 70.501 68.868 0.078 0.000 1.056 434 T HN 0.635 nan 8.240 nan 0.000 0.480 435 T N 0.305 114.989 114.554 0.217 0.000 2.722 435 T HA 0.601 4.952 4.350 0.001 0.000 0.314 435 T C -0.914 173.856 174.700 0.117 0.000 1.675 435 T CA -0.120 62.087 62.100 0.178 0.000 1.003 435 T CB 1.184 70.173 68.868 0.202 0.000 1.602 435 T HN 1.292 nan 8.240 nan 0.000 0.496 436 T N 0.052 114.658 114.554 0.087 0.000 2.905 436 T HA 0.631 4.981 4.350 0.001 0.000 0.283 436 T C 0.984 175.658 174.700 -0.044 0.000 1.031 436 T CA -0.880 61.244 62.100 0.040 0.000 1.002 436 T CB 0.806 69.731 68.868 0.095 0.000 1.200 436 T HN 0.374 nan 8.240 nan 0.000 0.560 437 I N 0.173 120.672 120.570 -0.120 0.000 3.226 437 I HA 0.314 4.484 4.170 0.001 0.000 0.277 437 I C 1.784 177.811 176.117 -0.150 0.000 1.243 437 I CA 1.042 62.200 61.300 -0.236 0.000 1.459 437 I CB -1.022 36.702 38.000 -0.460 0.000 1.093 437 I HN 1.089 nan 8.210 nan 0.000 0.453 438 G N 0.517 109.288 108.800 -0.050 0.000 3.400 438 G HA2 -0.137 3.823 3.960 0.001 0.000 0.111 438 G HA3 -0.137 3.823 3.960 0.001 0.000 0.111 438 G C 0.106 175.027 174.900 0.034 0.000 2.370 438 G CA 0.120 45.221 45.100 0.001 0.000 1.153 438 G HN 0.345 nan 8.290 nan 0.000 0.329 439 S N 0.536 116.220 115.700 -0.027 0.000 2.592 439 S HA 0.758 5.229 4.470 0.001 0.000 0.271 439 S C -0.724 173.885 174.600 0.015 0.000 1.326 439 S CA -0.080 58.110 58.200 -0.017 0.000 1.024 439 S CB 1.551 64.707 63.200 -0.074 0.000 0.921 439 S HN 0.476 nan 8.310 nan 0.000 0.527 440 F N 0.569 120.440 119.950 -0.132 0.000 2.577 440 F HA 0.545 5.073 4.527 0.001 0.000 0.318 440 F C -2.457 173.204 175.800 -0.232 0.000 1.065 440 F CA -2.269 55.647 58.000 -0.141 0.000 0.929 440 F CB 1.692 40.684 39.000 -0.013 0.000 1.237 440 F HN 0.386 nan 8.300 nan 0.000 0.468 441 P HA -0.064 nan 4.420 nan 0.000 0.259 441 P C -1.296 175.905 177.300 -0.165 0.000 1.163 441 P CA 0.463 63.287 63.100 -0.460 0.000 0.760 441 P CB 0.198 31.282 31.700 -1.027 0.000 0.762 442 Q N 1.834 121.597 119.800 -0.061 0.000 2.323 442 Q HA 0.164 4.504 4.340 0.001 0.000 0.257 442 Q C 1.219 177.265 176.000 0.076 0.000 1.022 442 Q CA -0.222 55.596 55.803 0.025 0.000 0.919 442 Q CB 0.441 29.173 28.738 -0.010 0.000 1.220 442 Q HN 0.521 nan 8.270 nan 0.000 0.427 443 T N -1.552 113.092 114.554 0.149 0.000 3.449 443 T HA 0.032 4.383 4.350 0.001 0.000 0.387 443 T C 1.707 176.449 174.700 0.070 0.000 1.222 443 T CA 0.097 62.282 62.100 0.141 0.000 1.008 443 T CB -0.211 68.744 68.868 0.145 0.000 1.688 443 T HN 0.442 nan 8.240 nan 0.000 0.542 444 V N -1.144 118.804 119.914 0.056 0.000 2.223 444 V HA -0.171 3.949 4.120 0.001 0.000 0.253 444 V C 0.683 176.791 176.094 0.024 0.000 1.061 444 V CA 1.929 64.249 62.300 0.034 0.000 1.035 444 V CB -1.859 29.980 31.823 0.027 0.000 0.653 444 V HN 1.046 nan 8.190 nan 0.000 0.454 445 E N -0.168 120.044 120.200 0.020 0.000 8.353 445 E HA -0.134 4.217 4.350 0.001 0.000 0.467 445 E C -0.700 175.904 176.600 0.007 0.000 0.960 445 E CA 0.961 57.366 56.400 0.009 0.000 1.669 445 E CB -0.666 29.036 29.700 0.002 0.000 0.996 445 E HN 0.540 nan 8.360 nan 0.000 0.304 446 L N 0.532 121.757 121.223 0.003 0.000 2.250 446 L HA 0.609 4.950 4.340 0.001 0.000 0.252 446 L C 0.893 177.763 176.870 -0.001 0.000 1.054 446 L CA -0.620 54.222 54.840 0.004 0.000 0.856 446 L CB 1.024 43.088 42.059 0.007 0.000 1.443 446 L HN 0.557 nan 8.230 nan 0.000 0.427 462 D N -0.270 120.171 120.400 0.067 0.000 2.183 462 D HA -0.083 4.558 4.640 0.001 0.000 0.205 462 D C 1.406 177.820 176.300 0.189 0.000 0.962 462 D CA 0.760 54.801 54.000 0.069 0.000 0.849 462 D CB 0.105 40.899 40.800 -0.010 0.000 0.978 462 D HN 0.268 nan 8.370 nan 0.000 0.488 463 Y N 1.287 121.707 120.300 0.201 0.000 2.096 463 Y HA -0.239 4.312 4.550 0.001 0.000 0.278 463 Y C 2.601 178.683 175.900 0.304 0.000 1.192 463 Y CA 1.227 59.519 58.100 0.319 0.000 1.143 463 Y CB -1.085 37.483 38.460 0.181 0.000 0.963 463 Y HN -0.077 nan 8.280 nan 0.000 0.505 464 V N 0.354 120.485 119.914 0.360 0.000 2.427 464 V HA -0.229 3.892 4.120 0.001 0.000 0.248 464 V C 2.135 178.343 176.094 0.190 0.000 1.051 464 V CA 1.858 64.299 62.300 0.235 0.000 1.048 464 V CB -0.245 31.672 31.823 0.156 0.000 0.666 464 V HN 0.304 nan 8.190 nan 0.000 0.456 465 K N 0.737 121.237 120.400 0.166 0.000 2.097 465 K HA -0.004 4.316 4.320 0.001 0.000 0.206 465 K C 2.229 178.893 176.600 0.107 0.000 1.049 465 K CA 1.558 57.910 56.287 0.109 0.000 0.933 465 K CB -0.890 31.656 32.500 0.077 0.000 0.717 465 K HN 0.597 nan 8.250 nan 0.000 0.442 466 A N 1.338 124.254 122.820 0.160 0.000 1.929 466 A HA -0.033 4.288 4.320 0.001 0.000 0.216 466 A C 2.265 179.941 177.584 0.154 0.000 1.176 466 A CA 0.715 52.807 52.037 0.092 0.000 0.628 466 A CB -0.441 18.560 19.000 0.001 0.000 0.816 466 A HN 0.162 nan 8.150 nan 0.000 0.444 467 I N -0.144 120.597 120.570 0.284 0.000 2.127 467 I HA -0.314 3.856 4.170 0.001 0.000 0.241 467 I C 2.533 178.723 176.117 0.121 0.000 1.075 467 I CA 1.986 63.430 61.300 0.241 0.000 1.334 467 I CB -0.382 37.746 38.000 0.213 0.000 1.040 467 I HN 0.373 nan 8.210 nan 0.000 0.405 468 K N 1.015 121.471 120.400 0.095 0.000 2.089 468 K HA -0.301 4.020 4.320 0.001 0.000 0.210 468 K C 2.076 178.690 176.600 0.024 0.000 1.048 468 K CA 2.191 58.507 56.287 0.049 0.000 0.926 468 K CB -0.081 32.445 32.500 0.043 0.000 0.714 468 K HN 0.132 nan 8.250 nan 0.000 0.448 469 E N 0.857 121.072 120.200 0.026 0.000 2.150 469 E HA -0.143 4.208 4.350 0.001 0.000 0.193 469 E C 1.489 178.082 176.600 -0.012 0.000 0.985 469 E CA 1.466 57.867 56.400 0.003 0.000 0.814 469 E CB 0.135 29.836 29.700 0.001 0.000 0.752 469 E HN 0.409 nan 8.360 nan 0.000 0.466 470 E N -0.356 119.851 120.200 0.011 0.000 2.051 470 E HA -0.109 4.241 4.350 0.001 0.000 0.189 470 E C 2.040 178.631 176.600 -0.014 0.000 0.979 470 E CA 0.869 57.275 56.400 0.010 0.000 0.803 470 E CB -0.176 29.576 29.700 0.087 0.000 0.761 470 E HN 0.249 nan 8.360 nan 0.000 0.451 471 I N 1.824 122.396 120.570 0.004 0.000 2.335 471 I HA -0.276 3.895 4.170 0.001 0.000 0.251 471 I C 2.009 178.098 176.117 -0.047 0.000 1.129 471 I CA 1.604 62.895 61.300 -0.014 0.000 1.402 471 I CB -0.015 37.984 38.000 -0.001 0.000 1.069 471 I HN -0.088 nan 8.210 nan 0.000 0.424 472 K N 0.028 120.394 120.400 -0.058 0.000 2.155 472 K HA -0.135 4.185 4.320 0.001 0.000 0.203 472 K C 2.027 178.542 176.600 -0.141 0.000 1.052 472 K CA 1.086 57.317 56.287 -0.093 0.000 0.948 472 K CB 0.062 32.505 32.500 -0.096 0.000 0.728 472 K HN 0.341 nan 8.250 nan 0.000 0.448 473 K N -0.187 120.116 120.400 -0.162 0.000 2.186 473 K HA -0.017 4.303 4.320 0.001 0.000 0.202 473 K C 1.907 178.339 176.600 -0.280 0.000 1.052 473 K CA 0.680 56.783 56.287 -0.307 0.000 0.965 473 K CB 0.261 32.529 32.500 -0.387 0.000 0.746 473 K HN -0.065 nan 8.250 nan 0.000 0.457 474 V N 1.031 120.850 119.914 -0.158 0.000 2.323 474 V HA -0.185 3.935 4.120 0.001 0.000 0.244 474 V C 2.209 178.255 176.094 -0.081 0.000 1.041 474 V CA 1.357 63.596 62.300 -0.102 0.000 1.025 474 V CB -0.251 31.543 31.823 -0.050 0.000 0.656 474 V HN 0.036 nan 8.190 nan 0.000 0.451 475 V N 0.560 120.430 119.914 -0.073 0.000 2.490 475 V HA -0.249 3.871 4.120 0.001 0.000 0.250 475 V C 2.357 178.415 176.094 -0.060 0.000 1.061 475 V CA 2.228 64.494 62.300 -0.056 0.000 1.064 475 V CB -0.578 31.215 31.823 -0.051 0.000 0.670 475 V HN 0.643 nan 8.190 nan 0.000 0.461 476 D N 0.170 120.517 120.400 -0.088 0.000 2.085 476 D HA -0.114 4.527 4.640 0.001 0.000 0.199 476 D C 2.153 178.432 176.300 -0.036 0.000 0.981 476 D CA 1.270 55.229 54.000 -0.068 0.000 0.834 476 D CB -0.073 40.671 40.800 -0.094 0.000 0.992 476 D HN 0.340 nan 8.370 nan 0.000 0.457 477 L N 0.677 121.855 121.223 -0.075 0.000 2.021 477 L HA -0.268 4.073 4.340 0.001 0.000 0.215 477 L C 2.852 179.725 176.870 0.005 0.000 1.074 477 L CA 1.631 56.459 54.840 -0.020 0.000 0.760 477 L CB -0.394 41.630 42.059 -0.059 0.000 0.889 477 L HN 0.142 nan 8.230 nan 0.000 0.433 478 Q N -0.494 119.299 119.800 -0.013 0.000 1.967 478 Q HA -0.265 4.075 4.340 0.001 0.000 0.202 478 Q C 2.163 178.163 176.000 -0.000 0.000 0.985 478 Q CA 2.034 57.835 55.803 -0.004 0.000 0.839 478 Q CB -0.291 28.440 28.738 -0.012 0.000 0.906 478 Q HN 0.673 nan 8.270 nan 0.000 0.423 479 E N 1.046 121.242 120.200 -0.006 0.000 2.110 479 E HA -0.183 4.167 4.350 0.001 0.000 0.193 479 E C 0.561 177.165 176.600 0.006 0.000 0.988 479 E CA 0.732 57.130 56.400 -0.003 0.000 0.804 479 E CB -0.099 29.595 29.700 -0.010 0.000 0.745 479 E HN 0.025 nan 8.360 nan 0.000 0.458 480 E N 1.743 121.953 120.200 0.016 0.000 2.059 480 E HA 0.006 4.357 4.350 0.001 0.000 0.262 480 E C 0.434 177.054 176.600 0.035 0.000 1.230 480 E CA 0.257 56.678 56.400 0.035 0.000 0.951 480 E CB -0.349 29.393 29.700 0.070 0.000 1.038 480 E HN 0.463 nan 8.360 nan 0.000 0.425 481 L N 1.876 123.112 121.223 0.021 0.000 4.245 481 L HA -0.444 3.896 4.340 0.001 0.000 0.438 481 L C 0.143 177.025 176.870 0.019 0.000 1.121 481 L CA 1.787 56.637 54.840 0.017 0.000 0.984 481 L CB -2.254 39.815 42.059 0.017 0.000 1.873 481 L HN 0.637 nan 8.230 nan 0.000 1.054 482 D N -1.255 119.157 120.400 0.020 0.000 4.018 482 D HA -0.314 4.327 4.640 0.001 0.000 0.207 482 D C 0.563 176.883 176.300 0.033 0.000 1.219 482 D CA 2.338 56.349 54.000 0.019 0.000 2.366 482 D CB -0.776 40.030 40.800 0.011 0.000 1.202 482 D HN 0.729 nan 8.370 nan 0.000 0.414 483 I N 0.896 121.491 120.570 0.041 0.000 8.555 483 I HA -0.223 3.947 4.170 0.001 0.000 0.126 483 I C 0.592 176.746 176.117 0.061 0.000 1.837 483 I CA 0.502 61.840 61.300 0.064 0.000 2.075 483 I CB -0.217 37.838 38.000 0.090 0.000 3.814 483 I HN 0.290 nan 8.210 nan 0.000 0.181 484 D N 4.833 125.269 120.400 0.060 0.000 2.144 484 D HA -0.037 4.604 4.640 0.001 0.000 0.199 484 D C 0.698 177.055 176.300 0.094 0.000 0.984 484 D CA 1.529 55.560 54.000 0.053 0.000 0.834 484 D CB 0.208 41.013 40.800 0.009 0.000 0.955 484 D HN 0.277 nan 8.370 nan 0.000 0.465 485 V N 2.002 122.003 119.914 0.144 0.000 2.483 485 V HA 0.282 4.403 4.120 0.001 0.000 0.297 485 V C 0.159 176.318 176.094 0.108 0.000 1.027 485 V CA -0.716 61.675 62.300 0.150 0.000 0.855 485 V CB 2.303 34.270 31.823 0.241 0.000 0.995 485 V HN -0.062 nan 8.190 nan 0.000 0.424 486 L N 4.433 125.704 121.223 0.080 0.000 2.387 486 L HA 0.789 5.129 4.340 0.001 0.000 0.266 486 L C -0.365 176.550 176.870 0.075 0.000 1.059 486 L CA -0.821 54.060 54.840 0.068 0.000 0.801 486 L CB 1.763 43.844 42.059 0.036 0.000 1.223 486 L HN 0.333 nan 8.230 nan 0.000 0.456 487 V N -1.075 118.890 119.914 0.086 0.000 3.126 487 V HA 0.248 4.368 4.120 0.001 0.000 0.314 487 V C 0.318 176.490 176.094 0.130 0.000 1.138 487 V CA -0.597 61.788 62.300 0.141 0.000 1.034 487 V CB 1.908 33.826 31.823 0.159 0.000 1.075 487 V HN 0.884 nan 8.190 nan 0.000 0.442 488 H N 0.409 119.478 119.070 -0.000 0.000 2.551 488 H HA 0.260 4.817 4.556 0.001 0.000 0.271 488 H C 1.245 176.541 175.328 -0.054 0.000 0.984 488 H CA 0.645 56.673 56.048 -0.033 0.000 1.164 488 H CB 0.356 30.125 29.762 0.012 0.000 1.437 488 H HN 1.083 nan 8.280 nan 0.000 0.550 489 G N 1.505 110.159 108.800 -0.243 0.000 2.205 489 G HA2 -0.376 3.584 3.960 0.001 0.000 0.261 489 G HA3 -0.376 3.584 3.960 0.001 0.000 0.261 489 G C 0.242 174.954 174.900 -0.313 0.000 0.980 489 G CA 0.235 45.254 45.100 -0.135 0.000 0.632 489 G HN 0.489 nan 8.290 nan 0.000 0.533 490 E N -1.243 118.481 120.200 -0.793 0.000 2.440 490 E HA -0.229 4.122 4.350 0.001 0.000 0.246 490 E C -0.702 175.663 176.600 -0.392 0.000 1.165 490 E CA 0.654 56.670 56.400 -0.641 0.000 0.726 490 E CB -1.053 28.407 29.700 -0.399 0.000 1.271 490 E HN 0.594 nan 8.360 nan 0.000 0.397 491 P HA -0.188 nan 4.420 nan 0.000 0.225 491 P C 0.547 177.661 177.300 -0.310 0.000 1.148 491 P CA 1.496 64.454 63.100 -0.236 0.000 0.779 491 P CB 0.180 31.782 31.700 -0.164 0.000 0.780 492 E N -0.500 119.413 120.200 -0.478 0.000 2.465 492 E HA 0.093 4.443 4.350 0.001 0.000 0.191 492 E C 0.472 176.780 176.600 -0.487 0.000 1.053 492 E CA 0.032 56.108 56.400 -0.540 0.000 0.869 492 E CB -0.305 28.809 29.700 -0.977 0.000 0.977 492 E HN 0.283 nan 8.360 nan 0.000 0.483 493 R N 0.597 120.801 120.500 -0.493 0.000 2.494 493 R HA 0.427 4.767 4.340 0.001 0.000 0.305 493 R C 0.044 176.214 176.300 -0.216 0.000 0.959 493 R CA -0.568 55.234 56.100 -0.497 0.000 0.864 493 R CB 1.028 30.904 30.300 -0.707 0.000 1.159 493 R HN -0.042 nan 8.270 nan 0.000 0.446 494 N N 0.710 119.351 118.700 -0.097 0.000 2.415 494 N HA -0.013 4.727 4.740 0.001 0.000 0.174 494 N C -0.341 175.176 175.510 0.012 0.000 1.048 494 N CA 0.815 53.845 53.050 -0.033 0.000 0.895 494 N CB 0.363 38.846 38.487 -0.006 0.000 1.036 494 N HN 0.588 nan 8.380 nan 0.000 0.449 498 E N 0.147 120.565 120.200 0.363 0.000 2.130 498 E HA -0.279 4.071 4.350 0.001 0.000 0.196 498 E C 1.907 178.570 176.600 0.104 0.000 0.998 498 E CA 2.161 58.761 56.400 0.333 0.000 0.806 498 E CB -0.145 29.692 29.700 0.229 0.000 0.738 498 E HN 0.704 nan 8.360 nan 0.000 0.459 499 Y N 0.235 120.499 120.300 -0.060 0.000 2.193 499 Y HA -0.275 4.275 4.550 0.001 0.000 0.285 499 Y C 1.646 177.337 175.900 -0.348 0.000 1.166 499 Y CA 1.646 59.581 58.100 -0.275 0.000 1.181 499 Y CB -0.256 37.933 38.460 -0.451 0.000 0.976 499 Y HN -0.023 nan 8.280 nan 0.000 0.520 500 F N -1.089 118.820 119.950 -0.069 0.000 2.387 500 F HA 0.187 4.714 4.527 0.001 0.000 0.294 500 F C 2.581 178.207 175.800 -0.291 0.000 1.093 500 F CA 0.893 58.782 58.000 -0.184 0.000 1.420 500 F CB -1.014 37.973 39.000 -0.023 0.000 1.086 500 F HN 0.011 nan 8.300 nan 0.000 0.531 501 G N 0.045 108.776 108.800 -0.115 0.000 2.422 501 G HA2 -0.201 3.759 3.960 0.001 0.000 0.218 501 G HA3 -0.201 3.759 3.960 0.001 0.000 0.218 501 G C 1.426 176.308 174.900 -0.030 0.000 1.146 501 G CA 0.616 45.396 45.100 -0.534 0.000 0.769 501 G HN 0.371 nan 8.290 nan 0.000 0.547 502 E N 0.042 120.235 120.200 -0.011 0.000 2.409 502 E HA -0.070 4.280 4.350 0.001 0.000 0.198 502 E C 1.651 178.205 176.600 -0.076 0.000 1.024 502 E CA 0.544 56.871 56.400 -0.121 0.000 0.861 502 E CB 0.023 29.498 29.700 -0.374 0.000 0.788 502 E HN 0.535 nan 8.360 nan 0.000 0.521 503 Q N 0.200 119.926 119.800 -0.123 0.000 2.157 503 Q HA 0.276 4.616 4.340 0.001 0.000 0.229 503 Q C -0.236 175.746 176.000 -0.029 0.000 0.827 503 Q CA -0.125 55.629 55.803 -0.081 0.000 1.055 503 Q CB 0.838 29.494 28.738 -0.137 0.000 1.157 503 Q HN 0.130 nan 8.270 nan 0.000 0.482 504 L N -1.141 120.058 121.223 -0.040 0.000 2.301 504 L HA 0.396 4.736 4.340 0.001 0.000 0.264 504 L C 1.067 178.026 176.870 0.148 0.000 1.016 504 L CA -0.368 54.478 54.840 0.011 0.000 0.821 504 L CB 1.727 43.700 42.059 -0.144 0.000 1.346 504 L HN 0.003 nan 8.230 nan 0.000 0.429 505 S N 1.298 117.101 115.700 0.171 0.000 2.343 505 S HA -0.071 4.399 4.470 0.001 0.000 0.212 505 S C 1.434 176.114 174.600 0.133 0.000 1.033 505 S CA 1.331 59.627 58.200 0.160 0.000 1.004 505 S CB -0.433 62.832 63.200 0.107 0.000 0.977 505 S HN 0.899 nan 8.310 nan 0.000 0.427 506 G N 0.684 109.498 108.800 0.023 0.000 3.229 506 G HA2 0.203 4.164 3.960 0.001 0.000 0.214 506 G HA3 0.203 4.164 3.960 0.001 0.000 0.214 506 G C -0.201 174.343 174.900 -0.593 0.000 1.256 506 G CA -0.117 44.718 45.100 -0.441 0.000 1.042 506 G HN 0.322 nan 8.290 nan 0.000 0.497 507 F N 0.031 119.846 119.950 -0.225 0.000 2.470 507 F HA 0.726 5.253 4.527 0.001 0.000 0.329 507 F C 0.382 176.318 175.800 0.226 0.000 1.072 507 F CA -1.054 56.914 58.000 -0.054 0.000 0.989 507 F CB 2.220 41.229 39.000 0.014 0.000 1.193 507 F HN 0.109 nan 8.300 nan 0.000 0.481 508 A N 2.010 124.981 122.820 0.252 0.000 2.520 508 A HA 0.796 5.117 4.320 0.001 0.000 0.298 508 A C -1.972 175.564 177.584 -0.080 0.000 1.051 508 A CA -0.509 51.705 52.037 0.294 0.000 0.690 508 A CB 0.804 20.024 19.000 0.367 0.000 1.281 508 A HN 0.483 nan 8.150 nan 0.000 0.402 509 F N 0.700 120.768 119.950 0.197 0.000 2.495 509 F HA 0.584 5.112 4.527 0.001 0.000 0.327 509 F C 0.957 176.806 175.800 0.080 0.000 1.103 509 F CA -0.231 57.851 58.000 0.136 0.000 0.949 509 F CB 2.515 41.580 39.000 0.109 0.000 1.142 509 F HN 0.496 nan 8.300 nan 0.000 0.457 510 T N 1.377 116.039 114.554 0.179 0.000 2.882 510 T HA 0.463 4.813 4.350 0.001 0.000 0.287 510 T C 0.867 175.610 174.700 0.071 0.000 1.014 510 T CA 0.181 62.348 62.100 0.111 0.000 1.049 510 T CB 1.512 70.433 68.868 0.089 0.000 1.001 510 T HN 0.753 nan 8.240 nan 0.000 0.525 511 A N 2.090 124.947 122.820 0.061 0.000 1.973 511 A HA 0.211 4.531 4.320 0.001 0.000 0.210 511 A C 1.426 179.042 177.584 0.053 0.000 1.200 511 A CA 0.262 52.333 52.037 0.057 0.000 0.707 511 A CB 0.200 19.243 19.000 0.072 0.000 0.862 511 A HN 0.720 nan 8.150 nan 0.000 0.461 512 N N -0.286 118.460 118.700 0.076 0.000 2.307 512 N HA 0.106 4.846 4.740 0.001 0.000 0.248 512 N C 0.354 175.945 175.510 0.135 0.000 1.322 512 N CA 0.425 53.574 53.050 0.165 0.000 0.861 512 N CB 0.940 39.584 38.487 0.261 0.000 1.303 512 N HN 0.287 nan 8.380 nan 0.000 0.498 513 G N 0.542 109.326 108.800 -0.028 0.000 3.343 513 G HA2 0.188 4.148 3.960 0.001 0.000 0.264 513 G HA3 0.188 4.148 3.960 0.001 0.000 0.264 513 G C -0.459 174.345 174.900 -0.160 0.000 0.884 513 G CA -0.366 44.703 45.100 -0.051 0.000 1.916 513 G HN 0.116 nan 8.290 nan 0.000 0.618 514 W N 0.576 121.887 121.300 0.018 0.000 2.237 514 W HA 0.521 5.181 4.660 0.001 0.000 0.335 514 W C -0.004 176.494 176.519 -0.035 0.000 1.230 514 W CA -0.603 56.738 57.345 -0.007 0.000 1.253 514 W CB 1.375 30.818 29.460 -0.029 0.000 1.129 514 W HN 0.044 nan 8.180 nan 0.000 0.590 515 V N 1.761 121.811 119.914 0.227 0.000 2.789 515 V HA 0.228 4.348 4.120 0.001 0.000 0.311 515 V C -0.256 175.896 176.094 0.097 0.000 1.073 515 V CA -1.481 60.890 62.300 0.119 0.000 0.921 515 V CB 1.524 33.421 31.823 0.124 0.000 1.009 515 V HN 0.498 nan 8.190 nan 0.000 0.426 516 Q N 1.216 121.040 119.800 0.041 0.000 2.297 516 Q HA 0.204 4.545 4.340 0.001 0.000 0.267 516 Q C 0.913 177.031 176.000 0.197 0.000 1.006 516 Q CA 0.324 56.156 55.803 0.049 0.000 0.896 516 Q CB 1.140 29.874 28.738 -0.007 0.000 1.186 516 Q HN 0.903 nan 8.270 nan 0.000 0.392 517 S N 3.694 119.456 115.700 0.105 0.000 2.460 517 S HA 0.100 4.570 4.470 0.001 0.000 0.226 517 S C -0.863 173.880 174.600 0.238 0.000 1.057 517 S CA 0.532 58.840 58.200 0.180 0.000 0.948 517 S CB 0.186 63.396 63.200 0.017 0.000 0.822 517 S HN 0.657 nan 8.310 nan 0.000 0.512 518 Y N -3.491 116.808 120.300 -0.003 0.000 2.755 518 Y HA 0.465 5.015 4.550 0.001 0.000 0.368 518 Y C 0.404 176.145 175.900 -0.266 0.000 1.177 518 Y CA -1.110 56.895 58.100 -0.159 0.000 1.290 518 Y CB 0.029 38.368 38.460 -0.202 0.000 1.415 518 Y HN 0.299 nan 8.280 nan 0.000 0.501 519 G N 2.054 110.568 108.800 -0.476 0.000 2.699 519 G HA2 -0.389 3.571 3.960 0.001 0.000 0.347 519 G HA3 -0.389 3.571 3.960 0.001 0.000 0.347 519 G C 1.191 175.797 174.900 -0.490 0.000 1.225 519 G CA 2.744 47.102 45.100 -1.238 0.000 0.973 519 G HN 2.162 nan 8.290 nan 0.000 0.551 520 S N -0.320 115.227 115.700 -0.254 0.000 2.511 520 S HA 0.396 4.866 4.470 0.001 0.000 0.214 520 S C 1.099 175.502 174.600 -0.328 0.000 0.997 520 S CA 0.960 59.046 58.200 -0.189 0.000 0.908 520 S CB 0.403 63.627 63.200 0.039 0.000 0.803 520 S HN 0.760 nan 8.310 nan 0.000 0.504 521 R N 1.464 121.658 120.500 -0.511 0.000 2.442 521 R HA 0.479 4.819 4.340 0.001 0.000 0.291 521 R C -0.934 175.139 176.300 -0.379 0.000 1.069 521 R CA -0.102 55.687 56.100 -0.518 0.000 1.022 521 R CB -0.498 29.317 30.300 -0.807 0.000 0.976 521 R HN 0.421 nan 8.270 nan 0.000 0.443 522 C N 3.582 122.743 119.300 -0.232 0.000 2.771 522 C HA 0.825 5.285 4.460 0.001 0.000 0.333 522 C C -0.591 174.495 174.990 0.160 0.000 1.267 522 C CA -0.758 58.236 59.018 -0.040 0.000 1.721 522 C CB 1.746 29.455 27.740 -0.052 0.000 2.222 522 C HN 0.679 nan 8.230 nan 0.000 0.485 523 V N -0.704 119.374 119.914 0.274 0.000 2.925 523 V HA 0.641 4.762 4.120 0.001 0.000 0.311 523 V C -0.967 175.197 176.094 0.116 0.000 1.104 523 V CA -0.624 61.799 62.300 0.204 0.000 0.954 523 V CB 1.816 33.621 31.823 -0.031 0.000 1.022 523 V HN 0.847 nan 8.190 nan 0.000 0.427 524 K N 3.352 123.645 120.400 -0.178 0.000 2.478 524 K HA 0.508 4.828 4.320 0.001 0.000 0.236 524 K C -2.759 173.720 176.600 -0.202 0.000 1.021 524 K CA -1.757 54.264 56.287 -0.445 0.000 1.010 524 K CB 1.527 33.344 32.500 -1.138 0.000 1.331 524 K HN 0.608 nan 8.250 nan 0.000 0.470 525 P HA 0.119 nan 4.420 nan 0.000 0.268 525 P C -2.573 174.703 177.300 -0.041 0.000 1.204 525 P CA -0.945 62.049 63.100 -0.177 0.000 0.768 525 P CB 0.224 31.544 31.700 -0.634 0.000 0.842 526 P HA 0.123 nan 4.420 nan 0.000 0.274 526 P C -0.794 176.441 177.300 -0.108 0.000 1.237 526 P CA -0.050 62.962 63.100 -0.146 0.000 0.793 526 P CB 0.554 32.230 31.700 -0.041 0.000 0.977 527 V N 3.410 123.206 119.914 -0.196 0.000 2.417 527 V HA 0.324 4.445 4.120 0.001 0.000 0.291 527 V C 0.224 176.211 176.094 -0.178 0.000 1.024 527 V CA -0.374 61.888 62.300 -0.064 0.000 0.861 527 V CB 1.119 32.946 31.823 0.006 0.000 0.985 527 V HN 0.380 nan 8.190 nan 0.000 0.436 528 I N 6.290 126.739 120.570 -0.201 0.000 2.307 528 I HA 0.218 4.388 4.170 0.001 0.000 0.287 528 I C 0.610 176.747 176.117 0.032 0.000 1.054 528 I CA -0.340 60.694 61.300 -0.444 0.000 1.218 528 I CB 0.587 38.231 38.000 -0.592 0.000 1.398 528 I HN 0.857 nan 8.210 nan 0.000 0.475 529 Y N 4.366 124.760 120.300 0.157 0.000 2.509 529 Y HA 0.611 5.161 4.550 0.001 0.000 0.270 529 Y C 0.876 176.784 175.900 0.014 0.000 1.103 529 Y CA -0.334 57.924 58.100 0.264 0.000 1.278 529 Y CB -0.067 38.695 38.460 0.503 0.000 1.087 529 Y HN 0.322 nan 8.280 nan 0.000 0.542 530 G N -0.239 108.260 108.800 -0.501 0.000 2.866 530 G HA2 0.357 4.317 3.960 0.001 0.000 0.289 530 G HA3 0.357 4.317 3.960 0.001 0.000 0.289 530 G C -1.886 172.881 174.900 -0.222 0.000 1.396 530 G CA -1.077 43.876 45.100 -0.246 0.000 0.848 530 G HN 0.018 nan 8.290 nan 0.000 0.515 531 D N -0.013 120.324 120.400 -0.105 0.000 2.487 531 D HA 0.315 4.956 4.640 0.001 0.000 0.243 531 D C 0.475 176.757 176.300 -0.030 0.000 1.154 531 D CA 0.508 54.474 54.000 -0.058 0.000 0.876 531 D CB 1.314 42.101 40.800 -0.021 0.000 1.161 531 D HN 0.164 nan 8.370 nan 0.000 0.478 532 V N 2.084 122.002 119.914 0.007 0.000 2.539 532 V HA 0.654 4.774 4.120 0.001 0.000 0.292 532 V C 0.293 176.435 176.094 0.080 0.000 1.045 532 V CA -0.495 61.856 62.300 0.084 0.000 0.945 532 V CB 1.387 33.315 31.823 0.174 0.000 0.993 532 V HN 0.748 nan 8.190 nan 0.000 0.464 533 S N 3.629 119.384 115.700 0.091 0.000 2.543 533 S HA 0.510 4.981 4.470 0.001 0.000 0.274 533 S C -1.031 173.611 174.600 0.070 0.000 1.149 533 S CA -1.013 57.229 58.200 0.069 0.000 0.866 533 S CB 1.782 65.015 63.200 0.055 0.000 1.111 533 S HN 0.752 nan 8.310 nan 0.000 0.457 534 R N 1.955 122.489 120.500 0.058 0.000 2.205 534 R HA 0.395 4.735 4.340 0.001 0.000 0.342 534 R C -1.943 174.386 176.300 0.049 0.000 1.058 534 R CA -1.803 54.330 56.100 0.054 0.000 0.904 534 R CB 0.166 30.499 30.300 0.054 0.000 1.089 534 R HN 0.554 nan 8.270 nan 0.000 0.471 535 P HA -0.031 nan 4.420 nan 0.000 0.216 535 P C -0.626 176.697 177.300 0.038 0.000 1.153 535 P CA 1.153 64.279 63.100 0.043 0.000 0.844 535 P CB 0.394 32.122 31.700 0.046 0.000 0.787 536 K N -1.755 118.668 120.400 0.038 0.000 2.439 536 K HA 0.677 4.997 4.320 0.001 0.000 0.260 536 K C -0.481 176.149 176.600 0.051 0.000 1.032 536 K CA -1.089 55.220 56.287 0.037 0.000 0.882 536 K CB 1.779 34.295 32.500 0.027 0.000 1.420 536 K HN -0.161 nan 8.250 nan 0.000 0.455 540 V N 1.962 121.998 119.914 0.204 0.000 2.324 540 V HA -0.191 3.929 4.120 0.001 0.000 0.250 540 V C 1.917 178.062 176.094 0.085 0.000 1.060 540 V CA 2.447 64.820 62.300 0.121 0.000 1.042 540 V CB -0.701 31.177 31.823 0.093 0.000 0.650 540 V HN 0.549 nan 8.190 nan 0.000 0.450 541 F N -0.171 119.742 119.950 -0.062 0.000 2.046 541 F HA -0.225 4.302 4.527 0.001 0.000 0.297 541 F C 2.098 177.768 175.800 -0.217 0.000 1.123 541 F CA 1.980 59.841 58.000 -0.231 0.000 1.199 541 F CB -0.512 38.226 39.000 -0.437 0.000 0.972 541 F HN 0.159 nan 8.300 nan 0.000 0.474 542 W N 0.076 121.493 121.300 0.196 0.000 2.358 542 W HA -0.150 4.510 4.660 0.001 0.000 0.303 542 W C 2.748 179.170 176.519 -0.162 0.000 1.208 542 W CA 1.167 58.537 57.345 0.041 0.000 1.274 542 W CB -0.922 28.643 29.460 0.176 0.000 1.138 542 W HN -0.104 nan 8.180 nan 0.000 0.515 543 S N 0.079 115.802 115.700 0.039 0.000 2.368 543 S HA 0.036 4.506 4.470 0.001 0.000 0.224 543 S C 1.420 175.971 174.600 -0.082 0.000 1.029 543 S CA 0.744 58.882 58.200 -0.103 0.000 0.988 543 S CB -0.890 62.277 63.200 -0.055 0.000 0.838 543 S HN 0.182 nan 8.310 nan 0.000 0.462 547 Q N 2.084 121.863 119.800 -0.035 0.000 2.837 547 Q HA 0.555 4.896 4.340 0.001 0.000 0.235 547 Q C -0.088 175.890 176.000 -0.037 0.000 1.348 547 Q CA 0.837 56.625 55.803 -0.025 0.000 0.990 547 Q CB -0.490 28.235 28.738 -0.021 0.000 1.570 547 Q HN 1.049 nan 8.270 nan 0.000 0.575 551 S N 1.717 117.417 115.700 -0.001 0.000 2.556 551 S HA 0.340 4.811 4.470 0.001 0.000 0.216 551 S C 0.669 175.275 174.600 0.010 0.000 0.970 551 S CA -0.389 57.813 58.200 0.002 0.000 0.912 551 S CB -0.113 63.087 63.200 0.000 0.000 0.790 551 S HN 0.638 nan 8.310 nan 0.000 0.504 552 R N 1.941 122.449 120.500 0.013 0.000 2.560 552 R HA 0.489 4.829 4.340 0.001 0.000 0.270 552 R C -2.531 173.789 176.300 0.033 0.000 1.074 552 R CA -1.927 54.188 56.100 0.024 0.000 1.140 552 R CB -0.020 30.295 30.300 0.025 0.000 1.073 552 R HN 0.221 nan 8.270 nan 0.000 0.527 559 T N 0.869 115.257 114.554 -0.277 0.000 2.767 559 T HA 0.468 4.818 4.350 0.001 0.000 0.284 559 T C 0.503 175.153 174.700 -0.084 0.000 0.973 559 T CA -0.167 61.895 62.100 -0.064 0.000 0.996 559 T CB 1.581 70.481 68.868 0.053 0.000 0.927 559 T HN 0.754 nan 8.240 nan 0.000 0.456 560 G N 3.863 112.683 108.800 0.033 0.000 2.720 560 G HA2 0.172 4.133 3.960 0.001 0.000 0.237 560 G HA3 0.172 4.133 3.960 0.001 0.000 0.237 560 G C -1.005 173.928 174.900 0.055 0.000 1.239 560 G CA -1.012 44.142 45.100 0.090 0.000 0.847 560 G HN 0.431 nan 8.290 nan 0.000 0.593 561 P HA -0.074 nan 4.420 nan 0.000 0.220 561 P C 1.922 179.289 177.300 0.112 0.000 1.152 561 P CA 0.558 63.718 63.100 0.099 0.000 0.812 561 P CB 0.157 31.926 31.700 0.115 0.000 0.792 562 V N 0.629 120.600 119.914 0.095 0.000 2.343 562 V HA -0.191 3.929 4.120 0.001 0.000 0.247 562 V C 2.671 178.761 176.094 -0.006 0.000 1.051 562 V CA 2.583 64.925 62.300 0.070 0.000 1.036 562 V CB -1.937 29.879 31.823 -0.011 0.000 0.654 562 V HN 0.174 nan 8.190 nan 0.000 0.451 563 T N 0.223 114.726 114.554 -0.083 0.000 2.746 563 T HA -0.089 4.261 4.350 0.001 0.000 0.267 563 T C 1.839 176.479 174.700 -0.099 0.000 1.039 563 T CA 1.635 63.579 62.100 -0.259 0.000 1.142 563 T CB -0.261 68.450 68.868 -0.263 0.000 0.866 563 T HN 0.329 nan 8.240 nan 0.000 0.444 564 I N 0.513 121.126 120.570 0.071 0.000 2.226 564 I HA -0.148 4.022 4.170 0.001 0.000 0.245 564 I C 2.303 178.552 176.117 0.219 0.000 1.100 564 I CA 0.897 62.327 61.300 0.215 0.000 1.374 564 I CB -0.329 37.822 38.000 0.253 0.000 1.057 564 I HN 0.177 nan 8.210 nan 0.000 0.413 565 L N 1.121 122.439 121.223 0.159 0.000 1.976 565 L HA -0.208 4.132 4.340 0.001 0.000 0.209 565 L C 2.222 179.176 176.870 0.141 0.000 1.071 565 L CA 1.952 56.882 54.840 0.150 0.000 0.746 565 L CB -0.811 41.354 42.059 0.176 0.000 0.890 565 L HN 0.191 nan 8.230 nan 0.000 0.432 566 N N -0.799 117.955 118.700 0.090 0.000 2.149 566 N HA -0.212 4.528 4.740 0.001 0.000 0.188 566 N C 0.824 176.463 175.510 0.216 0.000 1.019 566 N CA 1.286 54.382 53.050 0.077 0.000 0.857 566 N CB -0.416 38.019 38.487 -0.087 0.000 0.997 566 N HN 0.453 nan 8.380 nan 0.000 0.426 567 W N 1.348 122.690 121.300 0.070 0.000 3.314 567 W HA 0.412 5.072 4.660 0.001 0.000 0.419 567 W C -0.005 176.496 176.519 -0.030 0.000 1.021 567 W CA -0.720 56.637 57.345 0.021 0.000 1.935 567 W CB -0.927 28.576 29.460 0.070 0.000 1.008 567 W HN -0.241 nan 8.180 nan 0.000 0.803 568 S N -0.351 115.432 115.700 0.139 0.000 2.570 568 S HA 0.491 4.962 4.470 0.001 0.000 0.286 568 S C -1.102 173.468 174.600 -0.051 0.000 1.099 568 S CA -0.526 57.688 58.200 0.023 0.000 0.913 568 S CB 1.514 64.762 63.200 0.079 0.000 1.085 568 S HN -0.164 nan 8.310 nan 0.000 0.480 569 F N 2.450 122.400 119.950 0.001 0.000 2.464 569 F HA 0.282 4.809 4.527 0.001 0.000 0.353 569 F C 0.267 176.116 175.800 0.082 0.000 1.191 569 F CA -0.534 57.455 58.000 -0.019 0.000 1.147 569 F CB -0.036 38.852 39.000 -0.187 0.000 1.294 569 F HN 0.131 nan 8.300 nan 0.000 0.583 570 V N 4.788 124.894 119.914 0.319 0.000 2.649 570 V HA 0.246 4.367 4.120 0.001 0.000 0.292 570 V C 0.374 176.757 176.094 0.482 0.000 1.055 570 V CA -1.097 61.371 62.300 0.280 0.000 1.023 570 V CB 0.944 32.853 31.823 0.144 0.000 0.992 570 V HN 0.673 nan 8.190 nan 0.000 0.480 571 R N 3.385 124.072 120.500 0.313 0.000 2.585 571 R HA 0.046 4.386 4.340 0.001 0.000 0.275 571 R C 0.411 176.567 176.300 -0.240 0.000 1.018 571 R CA 0.253 56.266 56.100 -0.146 0.000 1.072 571 R CB -0.024 30.051 30.300 -0.376 0.000 0.953 571 R HN 0.798 nan 8.270 nan 0.000 0.419 572 N N 1.560 119.943 118.700 -0.529 0.000 2.320 572 N HA -0.059 4.681 4.740 0.001 0.000 0.237 572 N C -0.698 174.643 175.510 -0.283 0.000 1.129 572 N CA -0.201 52.695 53.050 -0.256 0.000 0.854 572 N CB 0.299 38.727 38.487 -0.099 0.000 1.083 572 N HN 0.822 nan 8.380 nan 0.000 0.504 573 D N -0.877 119.314 120.400 -0.349 0.000 2.369 573 D HA 0.004 4.645 4.640 0.001 0.000 0.211 573 D C 0.128 176.301 176.300 -0.211 0.000 1.077 573 D CA 0.134 53.967 54.000 -0.280 0.000 0.842 573 D CB 0.106 40.701 40.800 -0.342 0.000 0.947 573 D HN 0.646 nan 8.370 nan 0.000 0.509 574 Q N -1.073 118.603 119.800 -0.206 0.000 2.522 574 Q HA 0.531 4.872 4.340 0.001 0.000 0.285 574 Q C -3.249 172.614 176.000 -0.230 0.000 0.982 574 Q CA -1.888 53.797 55.803 -0.196 0.000 0.805 574 Q CB 1.017 29.637 28.738 -0.198 0.000 1.457 574 Q HN -0.301 nan 8.270 nan 0.000 0.394 575 P HA 0.022 nan 4.420 nan 0.000 0.266 575 P C 0.025 177.012 177.300 -0.522 0.000 1.193 575 P CA -0.092 62.760 63.100 -0.413 0.000 0.770 575 P CB 0.610 31.928 31.700 -0.638 0.000 0.836 576 R N 1.606 121.846 120.500 -0.432 0.000 2.083 576 R HA -0.189 4.151 4.340 0.001 0.000 0.237 576 R C 2.320 178.124 176.300 -0.827 0.000 1.137 576 R CA 1.774 57.620 56.100 -0.424 0.000 0.951 576 R CB -0.907 29.298 30.300 -0.159 0.000 0.851 576 R HN 0.756 nan 8.270 nan 0.000 0.434 577 H N 0.128 118.433 119.070 -1.275 0.000 2.387 577 H HA -0.111 4.446 4.556 0.001 0.000 0.299 577 H C 1.703 176.429 175.328 -1.004 0.000 1.099 577 H CA 1.427 56.432 56.048 -1.738 0.000 1.315 577 H CB -0.329 28.243 29.762 -1.983 0.000 1.380 577 H HN 0.351 nan 8.280 nan 0.000 0.513 578 E N 0.888 120.551 120.200 -0.894 0.000 2.058 578 E HA -0.146 4.204 4.350 0.001 0.000 0.194 578 E C 1.984 178.431 176.600 -0.256 0.000 0.997 578 E CA 1.975 58.162 56.400 -0.355 0.000 0.801 578 E CB 0.112 29.606 29.700 -0.344 0.000 0.746 578 E HN 0.493 nan 8.360 nan 0.000 0.450 579 T N -0.033 114.330 114.554 -0.319 0.000 2.777 579 T HA -0.179 4.171 4.350 0.001 0.000 0.266 579 T C 1.920 176.538 174.700 -0.136 0.000 1.040 579 T CA 1.092 63.079 62.100 -0.189 0.000 1.141 579 T CB -0.531 68.232 68.868 -0.175 0.000 0.868 579 T HN 0.353 nan 8.240 nan 0.000 0.444 580 C N 0.770 119.930 119.300 -0.234 0.000 2.413 580 C HA -0.120 4.341 4.460 0.001 0.000 0.277 580 C C 2.343 177.325 174.990 -0.013 0.000 1.265 580 C CA 0.425 59.383 59.018 -0.100 0.000 1.752 580 C CB -1.501 26.197 27.740 -0.070 0.000 1.998 580 C HN 0.565 nan 8.230 nan 0.000 0.489 581 Y N 1.026 121.306 120.300 -0.033 0.000 2.242 581 Y HA -0.103 4.447 4.550 0.001 0.000 0.291 581 Y C 2.618 178.498 175.900 -0.034 0.000 1.137 581 Y CA 1.313 59.384 58.100 -0.049 0.000 1.181 581 Y CB -1.160 37.254 38.460 -0.077 0.000 0.989 581 Y HN 0.493 nan 8.280 nan 0.000 0.527 582 Q N -0.273 119.599 119.800 0.121 0.000 2.124 582 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 582 Q C 2.222 178.272 176.000 0.083 0.000 0.977 582 Q CA 1.711 57.558 55.803 0.074 0.000 0.850 582 Q CB -0.319 28.440 28.738 0.036 0.000 0.901 582 Q HN 0.504 nan 8.270 nan 0.000 0.429 583 I N 0.607 121.234 120.570 0.096 0.000 2.252 583 I HA -0.231 3.939 4.170 0.001 0.000 0.245 583 I C 2.479 178.646 176.117 0.083 0.000 1.102 583 I CA 0.873 62.242 61.300 0.115 0.000 1.385 583 I CB -0.444 37.639 38.000 0.139 0.000 1.064 583 I HN 0.121 nan 8.210 nan 0.000 0.414 584 A N 0.807 123.683 122.820 0.093 0.000 1.908 584 A HA -0.208 4.113 4.320 0.001 0.000 0.218 584 A C 2.227 179.825 177.584 0.024 0.000 1.181 584 A CA 1.532 53.607 52.037 0.064 0.000 0.627 584 A CB -0.788 18.275 19.000 0.105 0.000 0.818 584 A HN 0.309 nan 8.150 nan 0.000 0.445 585 L N -0.408 120.835 121.223 0.033 0.000 2.042 585 L HA -0.134 4.206 4.340 0.001 0.000 0.210 585 L C 2.904 179.783 176.870 0.014 0.000 1.076 585 L CA 2.023 56.870 54.840 0.010 0.000 0.749 585 L CB -1.099 40.969 42.059 0.015 0.000 0.893 585 L HN 0.408 nan 8.230 nan 0.000 0.432 586 A N -0.810 122.029 122.820 0.032 0.000 1.930 586 A HA -0.147 4.173 4.320 0.001 0.000 0.217 586 A C 2.084 179.680 177.584 0.019 0.000 1.175 586 A CA 1.508 53.565 52.037 0.034 0.000 0.627 586 A CB -0.554 18.480 19.000 0.056 0.000 0.815 586 A HN 0.350 nan 8.150 nan 0.000 0.443 587 I N -0.104 120.467 120.570 0.001 0.000 2.394 587 I HA -0.166 4.005 4.170 0.001 0.000 0.251 587 I C 2.232 178.334 176.117 -0.026 0.000 1.136 587 I CA 1.498 62.780 61.300 -0.030 0.000 1.425 587 I CB -1.213 36.750 38.000 -0.062 0.000 1.079 587 I HN 0.418 nan 8.210 nan 0.000 0.425 588 K N 1.098 121.482 120.400 -0.026 0.000 2.113 588 K HA -0.235 4.086 4.320 0.001 0.000 0.208 588 K C 1.620 178.210 176.600 -0.016 0.000 1.047 588 K CA 1.809 58.075 56.287 -0.035 0.000 0.928 588 K CB 0.096 32.575 32.500 -0.035 0.000 0.716 588 K HN 0.271 nan 8.250 nan 0.000 0.446 589 D N 0.557 120.958 120.400 0.001 0.000 2.077 589 D HA -0.151 4.489 4.640 0.001 0.000 0.196 589 D C 1.899 178.214 176.300 0.024 0.000 0.986 589 D CA 0.894 54.902 54.000 0.014 0.000 0.829 589 D CB -0.248 40.566 40.800 0.023 0.000 0.983 589 D HN 0.194 nan 8.370 nan 0.000 0.453 590 E N 0.651 120.872 120.200 0.036 0.000 2.114 590 E HA -0.140 4.211 4.350 0.001 0.000 0.199 590 E C 2.373 179.003 176.600 0.050 0.000 1.008 590 E CA 0.442 56.879 56.400 0.061 0.000 0.810 590 E CB -0.267 29.483 29.700 0.085 0.000 0.739 590 E HN 0.134 nan 8.360 nan 0.000 0.456 591 V N 1.321 121.248 119.914 0.022 0.000 2.261 591 V HA -0.244 3.876 4.120 0.001 0.000 0.246 591 V C 2.078 178.183 176.094 0.017 0.000 1.047 591 V CA 2.044 64.354 62.300 0.015 0.000 1.015 591 V CB -0.505 31.306 31.823 -0.019 0.000 0.642 591 V HN 0.277 nan 8.190 nan 0.000 0.446 592 E N -0.226 119.979 120.200 0.009 0.000 2.338 592 E HA -0.210 4.140 4.350 0.001 0.000 0.197 592 E C 1.679 178.291 176.600 0.019 0.000 1.007 592 E CA 1.196 57.602 56.400 0.009 0.000 0.849 592 E CB -0.138 29.564 29.700 0.003 0.000 0.774 592 E HN 0.618 nan 8.360 nan 0.000 0.506 593 D N 0.344 120.762 120.400 0.029 0.000 2.183 593 D HA -0.007 4.633 4.640 0.001 0.000 0.205 593 D C 1.767 178.090 176.300 0.039 0.000 0.962 593 D CA 0.499 54.520 54.000 0.036 0.000 0.849 593 D CB 0.140 40.969 40.800 0.048 0.000 0.978 593 D HN 0.063 nan 8.370 nan 0.000 0.488 594 L N 0.477 121.727 121.223 0.046 0.000 2.141 594 L HA -0.079 4.261 4.340 0.001 0.000 0.209 594 L C 2.307 179.197 176.870 0.033 0.000 1.094 594 L CA 0.971 55.839 54.840 0.047 0.000 0.763 594 L CB -0.199 41.896 42.059 0.061 0.000 0.908 594 L HN 0.069 nan 8.230 nan 0.000 0.437 595 E N 0.660 120.876 120.200 0.028 0.000 2.072 595 E HA -0.223 4.127 4.350 0.001 0.000 0.191 595 E C 2.051 178.661 176.600 0.017 0.000 0.985 595 E CA 1.113 57.526 56.400 0.022 0.000 0.801 595 E CB 0.172 29.882 29.700 0.017 0.000 0.750 595 E HN 0.369 nan 8.360 nan 0.000 0.452 596 K N -0.451 119.958 120.400 0.015 0.000 2.288 596 K HA -0.030 4.290 4.320 0.001 0.000 0.201 596 K C 1.974 178.580 176.600 0.009 0.000 1.048 596 K CA 0.823 57.117 56.287 0.011 0.000 0.956 596 K CB 0.008 32.515 32.500 0.012 0.000 0.746 596 K HN 0.182 nan 8.250 nan 0.000 0.461 597 G N 0.000 108.807 108.800 0.011 0.000 2.534 597 G HA2 0.004 3.964 3.960 0.001 0.000 0.217 597 G HA3 0.004 3.964 3.960 0.001 0.000 0.217 597 G C 0.968 175.867 174.900 -0.003 0.000 1.128 597 G CA 0.751 45.852 45.100 0.003 0.000 0.784 597 G HN 0.432 nan 8.290 nan 0.000 0.542 598 G N -0.657 108.146 108.800 0.005 0.000 2.284 598 G HA2 -0.214 3.746 3.960 0.001 0.000 0.201 598 G HA3 -0.214 3.746 3.960 0.001 0.000 0.201 598 G C 0.213 175.121 174.900 0.013 0.000 0.998 598 G CA -0.155 44.948 45.100 0.005 0.000 0.651 598 G HN 0.278 nan 8.290 nan 0.000 0.489 599 I N 3.000 123.580 120.570 0.017 0.000 2.671 599 I HA 0.404 4.574 4.170 0.001 0.000 0.285 599 I C 1.743 177.884 176.117 0.040 0.000 1.148 599 I CA 1.100 62.417 61.300 0.028 0.000 1.386 599 I CB 1.129 39.148 38.000 0.032 0.000 1.406 599 I HN 0.187 nan 8.210 nan 0.000 0.540 600 G N 5.740 114.569 108.800 0.048 0.000 2.939 600 G HA2 0.241 4.202 3.960 0.001 0.000 0.210 600 G HA3 0.241 4.202 3.960 0.001 0.000 0.210 600 G C 0.208 175.158 174.900 0.083 0.000 1.160 600 G CA 0.121 45.255 45.100 0.057 0.000 0.770 600 G HN 0.385 nan 8.290 nan 0.000 0.543 601 V N 1.405 121.377 119.914 0.097 0.000 2.525 601 V HA 0.509 4.630 4.120 0.001 0.000 0.299 601 V C -0.788 175.381 176.094 0.125 0.000 1.034 601 V CA -0.745 61.641 62.300 0.144 0.000 0.863 601 V CB 1.783 33.704 31.823 0.165 0.000 0.999 601 V HN 0.097 nan 8.190 nan 0.000 0.423 602 I N 4.047 124.705 120.570 0.146 0.000 2.418 602 I HA 0.461 4.632 4.170 0.001 0.000 0.287 602 I C -0.265 175.947 176.117 0.160 0.000 1.008 602 I CA -0.392 60.982 61.300 0.123 0.000 1.104 602 I CB 2.033 40.085 38.000 0.087 0.000 1.264 602 I HN 0.638 nan 8.210 nan 0.000 0.438 603 Q N 6.768 126.650 119.800 0.138 0.000 2.257 603 Q HA 0.617 4.957 4.340 0.001 0.000 0.255 603 Q C -1.304 174.795 176.000 0.165 0.000 0.920 603 Q CA -0.530 55.365 55.803 0.154 0.000 0.927 603 Q CB 1.555 30.334 28.738 0.070 0.000 1.229 603 Q HN 0.606 nan 8.270 nan 0.000 0.433 604 I N 4.318 125.015 120.570 0.211 0.000 2.420 604 I HA 0.224 4.394 4.170 0.001 0.000 0.282 604 I C -1.146 175.102 176.117 0.218 0.000 1.019 604 I CA -1.027 60.407 61.300 0.224 0.000 1.130 604 I CB 1.418 39.620 38.000 0.336 0.000 1.262 604 I HN 0.628 nan 8.210 nan 0.000 0.454 605 D N 5.576 126.079 120.400 0.173 0.000 2.232 605 D HA 0.248 4.888 4.640 0.001 0.000 0.242 605 D C -0.249 176.093 176.300 0.069 0.000 1.093 605 D CA -0.551 53.542 54.000 0.155 0.000 0.845 605 D CB 1.380 42.332 40.800 0.253 0.000 1.124 605 D HN 0.227 nan 8.370 nan 0.000 0.467 606 E N 1.482 121.671 120.200 -0.019 0.000 2.731 606 E HA 0.265 4.615 4.350 0.001 0.000 0.220 606 E C 0.640 177.176 176.600 -0.107 0.000 1.087 606 E CA -0.525 55.832 56.400 -0.072 0.000 1.020 606 E CB 1.003 30.631 29.700 -0.120 0.000 1.339 606 E HN 0.641 nan 8.360 nan 0.000 0.444 607 A N 1.302 124.040 122.820 -0.137 0.000 2.024 607 A HA -0.110 4.211 4.320 0.001 0.000 0.220 607 A C 1.591 179.005 177.584 -0.284 0.000 1.164 607 A CA 1.843 53.763 52.037 -0.194 0.000 0.643 607 A CB 0.187 19.166 19.000 -0.035 0.000 0.806 607 A HN 0.340 nan 8.150 nan 0.000 0.451 608 A N -1.314 121.276 122.820 -0.384 0.000 2.749 608 A HA 0.529 4.849 4.320 0.001 0.000 0.299 608 A C 1.102 178.636 177.584 -0.084 0.000 1.105 608 A CA -0.094 51.750 52.037 -0.322 0.000 0.987 608 A CB -0.337 18.038 19.000 -1.041 0.000 1.180 608 A HN 0.419 nan 8.150 nan 0.000 0.528 609 L N 0.145 121.402 121.223 0.056 0.000 2.042 609 L HA -0.081 4.259 4.340 0.001 0.000 0.210 609 L C 2.194 179.064 176.870 -0.000 0.000 1.076 609 L CA 2.357 57.190 54.840 -0.011 0.000 0.749 609 L CB -0.254 41.783 42.059 -0.035 0.000 0.893 609 L HN 0.571 nan 8.230 nan 0.000 0.432 610 R N -1.069 119.396 120.500 -0.059 0.000 2.275 610 R HA -0.046 4.294 4.340 0.001 0.000 0.199 610 R C 1.557 177.809 176.300 -0.080 0.000 0.989 610 R CA 0.291 56.289 56.100 -0.169 0.000 1.016 610 R CB 0.005 29.953 30.300 -0.586 0.000 0.918 610 R HN 0.345 nan 8.270 nan 0.000 0.473 611 E N 0.047 120.261 120.200 0.025 0.000 2.265 611 E HA -0.097 4.253 4.350 0.001 0.000 0.196 611 E C 1.398 177.942 176.600 -0.094 0.000 0.996 611 E CA 1.271 57.682 56.400 0.020 0.000 0.832 611 E CB -0.111 29.649 29.700 0.100 0.000 0.756 611 E HN 0.523 nan 8.360 nan 0.000 0.491 612 G N 0.308 108.992 108.800 -0.193 0.000 3.284 612 G HA2 0.110 4.070 3.960 0.001 0.000 0.236 612 G HA3 0.110 4.070 3.960 0.001 0.000 0.236 612 G C 0.527 174.735 174.900 -1.153 0.000 1.158 612 G CA -0.441 44.379 45.100 -0.467 0.000 0.774 612 G HN 0.102 nan 8.290 nan 0.000 0.545 613 L N 1.545 122.216 121.223 -0.919 0.000 2.559 613 L HA 0.127 4.468 4.340 0.001 0.000 0.274 613 L C -1.800 174.803 176.870 -0.445 0.000 1.205 613 L CA -1.115 53.238 54.840 -0.811 0.000 0.907 613 L CB 1.025 42.757 42.059 -0.545 0.000 1.153 613 L HN 0.021 nan 8.230 nan 0.000 0.490 614 P HA 0.035 nan 4.420 nan 0.000 0.270 614 P C 0.728 178.100 177.300 0.120 0.000 1.223 614 P CA -0.259 62.842 63.100 0.002 0.000 0.785 614 P CB 0.723 32.505 31.700 0.137 0.000 0.923 615 L N -0.100 121.194 121.223 0.118 0.000 2.095 615 L HA 0.005 4.345 4.340 0.001 0.000 0.204 615 L C 1.392 178.339 176.870 0.127 0.000 1.080 615 L CA 0.731 55.658 54.840 0.144 0.000 0.759 615 L CB -0.362 41.795 42.059 0.164 0.000 0.914 615 L HN 0.340 nan 8.230 nan 0.000 0.439 616 R N 1.357 121.912 120.500 0.092 0.000 2.458 616 R HA -0.069 4.271 4.340 0.001 0.000 0.303 616 R C 1.164 177.411 176.300 -0.088 0.000 1.013 616 R CA 0.394 56.505 56.100 0.017 0.000 1.026 616 R CB 0.429 30.745 30.300 0.026 0.000 0.948 616 R HN -0.002 nan 8.270 nan 0.000 0.417 617 K N 1.773 122.025 120.400 -0.248 0.000 2.057 617 K HA -0.146 4.175 4.320 0.001 0.000 0.207 617 K C 1.289 177.619 176.600 -0.451 0.000 1.049 617 K CA 1.876 57.777 56.287 -0.642 0.000 0.931 617 K CB 0.058 32.329 32.500 -0.381 0.000 0.714 617 K HN 0.769 nan 8.250 nan 0.000 0.440 618 S N 0.040 115.636 115.700 -0.174 0.000 2.547 618 S HA -0.070 4.400 4.470 0.001 0.000 0.235 618 S C 1.131 175.745 174.600 0.024 0.000 0.980 618 S CA 0.789 58.951 58.200 -0.062 0.000 0.941 618 S CB -0.053 63.124 63.200 -0.038 0.000 0.763 618 S HN 0.335 nan 8.310 nan 0.000 0.532 619 E N -0.117 120.119 120.200 0.059 0.000 2.474 619 E HA 0.130 4.480 4.350 0.001 0.000 0.195 619 E C 1.251 178.052 176.600 0.335 0.000 1.039 619 E CA -0.128 56.378 56.400 0.177 0.000 0.881 619 E CB 0.017 29.808 29.700 0.153 0.000 0.970 619 E HN 0.732 nan 8.360 nan 0.000 0.486 620 H N 0.625 119.772 119.070 0.128 0.000 2.256 620 H HA -0.110 4.446 4.556 0.001 0.000 0.299 620 H C 2.348 177.776 175.328 0.166 0.000 1.071 620 H CA 0.895 57.022 56.048 0.132 0.000 1.280 620 H CB 0.084 29.886 29.762 0.067 0.000 1.370 620 H HN 0.192 nan 8.280 nan 0.000 0.490 621 A N 1.356 124.344 122.820 0.279 0.000 1.915 621 A HA -0.285 4.035 4.320 0.001 0.000 0.220 621 A C 2.241 179.935 177.584 0.183 0.000 1.198 621 A CA 2.059 54.208 52.037 0.186 0.000 0.647 621 A CB -1.234 17.860 19.000 0.157 0.000 0.825 621 A HN 0.499 nan 8.150 nan 0.000 0.456 622 F N -0.959 119.069 119.950 0.131 0.000 2.095 622 F HA -0.227 4.301 4.527 0.001 0.000 0.298 622 F C 2.161 178.038 175.800 0.128 0.000 1.104 622 F CA 2.194 60.294 58.000 0.167 0.000 1.232 622 F CB -0.548 38.585 39.000 0.221 0.000 0.987 622 F HN 0.413 nan 8.300 nan 0.000 0.475 623 Y N 0.829 121.177 120.300 0.079 0.000 2.114 623 Y HA -0.213 4.337 4.550 0.001 0.000 0.284 623 Y C 2.058 177.471 175.900 -0.812 0.000 1.143 623 Y CA 2.061 59.890 58.100 -0.451 0.000 1.135 623 Y CB -0.844 37.506 38.460 -0.184 0.000 0.980 623 Y HN 0.097 nan 8.280 nan 0.000 0.499 624 L N 0.284 121.179 121.223 -0.546 0.000 2.187 624 L HA -0.220 4.120 4.340 0.001 0.000 0.213 624 L C 2.134 178.723 176.870 -0.468 0.000 1.100 624 L CA 1.683 56.195 54.840 -0.546 0.000 0.765 624 L CB -0.664 41.282 42.059 -0.188 0.000 0.904 624 L HN 0.319 nan 8.230 nan 0.000 0.437 625 D N 0.105 120.288 120.400 -0.363 0.000 2.075 625 D HA -0.229 4.412 4.640 0.001 0.000 0.196 625 D C 2.146 178.362 176.300 -0.140 0.000 0.985 625 D CA 1.579 55.455 54.000 -0.205 0.000 0.834 625 D CB -0.217 40.497 40.800 -0.144 0.000 0.987 625 D HN 0.422 nan 8.370 nan 0.000 0.452 626 W N 0.681 121.808 121.300 -0.288 0.000 2.425 626 W HA 0.113 4.774 4.660 0.001 0.000 0.277 626 W C 1.757 178.182 176.519 -0.157 0.000 1.231 626 W CA 0.667 57.911 57.345 -0.167 0.000 1.248 626 W CB -0.842 28.387 29.460 -0.385 0.000 1.117 626 W HN 0.025 nan 8.180 nan 0.000 0.568 627 A N 1.951 124.374 122.820 -0.661 0.000 1.858 627 A HA -0.121 4.200 4.320 0.001 0.000 0.216 627 A C 2.308 179.788 177.584 -0.173 0.000 1.190 627 A CA 2.693 54.349 52.037 -0.635 0.000 0.617 627 A CB -1.116 17.162 19.000 -1.204 0.000 0.827 627 A HN 0.115 nan 8.150 nan 0.000 0.443 628 V N -0.408 119.405 119.914 -0.169 0.000 2.358 628 V HA -0.289 3.832 4.120 0.001 0.000 0.246 628 V C 2.408 178.610 176.094 0.179 0.000 1.047 628 V CA 2.285 64.585 62.300 0.001 0.000 1.035 628 V CB -1.065 30.718 31.823 -0.067 0.000 0.658 628 V HN 0.818 nan 8.190 nan 0.000 0.452 629 H N 0.075 119.182 119.070 0.062 0.000 2.289 629 H HA -0.201 4.355 4.556 0.001 0.000 0.296 629 H C 2.559 177.997 175.328 0.182 0.000 1.091 629 H CA 1.627 57.741 56.048 0.111 0.000 1.274 629 H CB 0.164 30.038 29.762 0.188 0.000 1.364 629 H HN 0.418 nan 8.280 nan 0.000 0.490 630 S N 0.271 116.193 115.700 0.370 0.000 2.380 630 S HA -0.232 4.238 4.470 0.001 0.000 0.229 630 S C 1.792 176.499 174.600 0.177 0.000 1.043 630 S CA 1.584 59.956 58.200 0.287 0.000 1.038 630 S CB -0.605 62.768 63.200 0.289 0.000 0.872 630 S HN 0.442 nan 8.310 nan 0.000 0.456 631 F N 2.469 122.456 119.950 0.061 0.000 2.102 631 F HA -0.059 4.469 4.527 0.001 0.000 0.298 631 F C 2.310 178.121 175.800 0.018 0.000 1.105 631 F CA 1.300 59.312 58.000 0.020 0.000 1.239 631 F CB -0.289 38.704 39.000 -0.010 0.000 0.991 631 F HN -0.004 nan 8.300 nan 0.000 0.474 632 R N 0.524 120.977 120.500 -0.079 0.000 2.080 632 R HA -0.168 4.172 4.340 0.001 0.000 0.236 632 R C 2.324 178.520 176.300 -0.173 0.000 1.137 632 R CA 2.131 58.126 56.100 -0.176 0.000 0.943 632 R CB -0.904 29.381 30.300 -0.025 0.000 0.846 632 R HN 0.369 nan 8.270 nan 0.000 0.431 633 I N 0.605 121.135 120.570 -0.067 0.000 2.290 633 I HA -0.346 3.824 4.170 0.001 0.000 0.253 633 I C 2.152 178.195 176.117 -0.123 0.000 1.112 633 I CA 1.442 62.686 61.300 -0.093 0.000 1.377 633 I CB -0.573 37.347 38.000 -0.133 0.000 1.060 633 I HN 0.238 nan 8.210 nan 0.000 0.428 634 T N 1.142 115.586 114.554 -0.184 0.000 2.759 634 T HA -0.164 4.186 4.350 0.001 0.000 0.269 634 T C 1.051 175.636 174.700 -0.192 0.000 1.042 634 T CA 2.003 63.984 62.100 -0.197 0.000 1.140 634 T CB -0.354 68.340 68.868 -0.289 0.000 0.864 634 T HN 0.625 nan 8.240 nan 0.000 0.455 635 N N -0.478 118.077 118.700 -0.242 0.000 2.307 635 N HA 0.107 4.847 4.740 0.001 0.000 0.248 635 N C 1.326 176.765 175.510 -0.118 0.000 1.322 635 N CA 0.081 53.032 53.050 -0.166 0.000 0.861 635 N CB -0.964 37.410 38.487 -0.189 0.000 1.303 635 N HN 0.445 nan 8.380 nan 0.000 0.498 636 C N -1.323 117.915 119.300 -0.102 0.000 2.419 636 C HA 0.227 4.687 4.460 0.001 0.000 0.283 636 C C 1.713 176.684 174.990 -0.031 0.000 1.373 636 C CA 0.551 59.536 59.018 -0.055 0.000 1.781 636 C CB -1.338 26.383 27.740 -0.031 0.000 1.886 636 C HN 0.511 nan 8.230 nan 0.000 0.520 637 G N 0.295 109.074 108.800 -0.036 0.000 3.820 637 G HA2 0.428 4.388 3.960 0.001 0.000 0.293 637 G HA3 0.428 4.388 3.960 0.001 0.000 0.293 637 G C -0.012 174.877 174.900 -0.018 0.000 1.152 637 G CA 0.259 45.347 45.100 -0.021 0.000 0.921 637 G HN 0.464 nan 8.290 nan 0.000 0.544 638 V N -0.137 119.764 119.914 -0.022 0.000 2.716 638 V HA 0.396 4.517 4.120 0.001 0.000 0.304 638 V C -0.041 176.049 176.094 -0.006 0.000 1.053 638 V CA -0.885 61.407 62.300 -0.014 0.000 0.984 638 V CB 1.846 33.658 31.823 -0.019 0.000 1.021 638 V HN 0.253 nan 8.190 nan 0.000 0.467 639 Q N 2.343 122.144 119.800 0.001 0.000 2.492 639 Q HA 0.090 4.430 4.340 0.001 0.000 0.238 639 Q C 0.425 176.428 176.000 0.005 0.000 1.045 639 Q CA 0.305 56.111 55.803 0.004 0.000 0.934 639 Q CB 0.604 29.347 28.738 0.007 0.000 1.276 639 Q HN 0.829 nan 8.270 nan 0.000 0.521 640 D N -0.485 119.918 120.400 0.005 0.000 2.312 640 D HA -0.099 4.542 4.640 0.001 0.000 0.211 640 D C 1.471 177.777 176.300 0.011 0.000 0.964 640 D CA 1.069 55.072 54.000 0.006 0.000 0.877 640 D CB 0.219 41.022 40.800 0.004 0.000 0.924 640 D HN 0.479 nan 8.370 nan 0.000 0.515 641 S N -1.005 114.703 115.700 0.014 0.000 2.496 641 S HA -0.008 4.463 4.470 0.001 0.000 0.224 641 S C 1.073 175.692 174.600 0.031 0.000 0.996 641 S CA -0.043 58.170 58.200 0.022 0.000 0.927 641 S CB -0.195 63.017 63.200 0.020 0.000 0.774 641 S HN -0.046 nan 8.310 nan 0.000 0.524 642 T N 3.239 117.809 114.554 0.027 0.000 2.727 642 T HA 0.235 4.586 4.350 0.001 0.000 0.295 642 T C -0.346 174.376 174.700 0.036 0.000 0.915 642 T CA -0.113 62.008 62.100 0.036 0.000 1.066 642 T CB 0.755 69.638 68.868 0.026 0.000 0.891 642 T HN 0.421 nan 8.240 nan 0.000 0.516 643 Q N 3.595 123.431 119.800 0.059 0.000 2.286 643 Q HA 0.431 4.771 4.340 0.001 0.000 0.257 643 Q C -0.834 175.192 176.000 0.044 0.000 0.941 643 Q CA -0.238 55.589 55.803 0.039 0.000 0.912 643 Q CB 0.485 29.278 28.738 0.091 0.000 1.192 643 Q HN 0.637 nan 8.270 nan 0.000 0.410 644 I N 4.365 124.916 120.570 -0.033 0.000 2.389 644 I HA 0.296 4.467 4.170 0.001 0.000 0.288 644 I C -0.460 175.622 176.117 -0.059 0.000 0.999 644 I CA -0.677 60.634 61.300 0.018 0.000 1.129 644 I CB 1.212 39.224 38.000 0.021 0.000 1.288 644 I HN 0.612 nan 8.210 nan 0.000 0.444 645 H N 3.552 122.640 119.070 0.030 0.000 2.472 645 H HA 0.372 4.928 4.556 0.001 0.000 0.338 645 H C -0.543 174.837 175.328 0.086 0.000 1.133 645 H CA -0.422 55.622 56.048 -0.008 0.000 1.216 645 H CB 2.505 32.206 29.762 -0.101 0.000 1.497 645 H HN 0.359 nan 8.280 nan 0.000 0.500 646 T N 1.812 116.460 114.554 0.157 0.000 2.841 646 T HA 0.228 4.578 4.350 0.001 0.000 0.285 646 T C -0.820 173.923 174.700 0.071 0.000 0.991 646 T CA -0.631 61.525 62.100 0.093 0.000 0.966 646 T CB 0.765 69.533 68.868 -0.166 0.000 0.962 646 T HN 0.642 nan 8.240 nan 0.000 0.438 650 Y N -0.148 120.134 120.300 -0.031 0.000 2.609 650 Y HA 0.642 5.193 4.550 0.001 0.000 0.336 650 Y C 0.667 176.520 175.900 -0.078 0.000 1.129 650 Y CA -0.490 57.504 58.100 -0.176 0.000 1.040 650 Y CB 1.518 39.644 38.460 -0.556 0.000 1.310 650 Y HN 0.216 nan 8.280 nan 0.000 0.460 651 S N -1.379 114.309 115.700 -0.020 0.000 2.847 651 S HA 0.312 4.782 4.470 0.001 0.000 0.254 651 S C -0.807 173.624 174.600 -0.281 0.000 1.039 651 S CA -0.233 57.965 58.200 -0.003 0.000 1.113 651 S CB -0.070 63.067 63.200 -0.106 0.000 1.092 651 S HN 0.667 nan 8.310 nan 0.000 0.620 652 H N 0.519 119.431 119.070 -0.264 0.000 2.970 652 H HA 0.422 4.979 4.556 0.001 0.000 0.315 652 H C -1.259 173.772 175.328 -0.494 0.000 0.992 652 H CA -0.591 55.332 56.048 -0.209 0.000 1.363 652 H CB 0.873 30.535 29.762 -0.167 0.000 1.532 652 H HN 0.302 nan 8.280 nan 0.000 0.514 653 F N 0.601 120.523 119.950 -0.046 0.000 2.781 653 F HA 0.117 4.644 4.527 0.001 0.000 0.322 653 F C 1.541 177.247 175.800 -0.158 0.000 1.108 653 F CA -0.401 57.518 58.000 -0.134 0.000 1.179 653 F CB 0.105 38.989 39.000 -0.194 0.000 1.072 653 F HN 0.282 nan 8.300 nan 0.000 0.545 654 N N 0.889 119.615 118.700 0.043 0.000 2.247 654 N HA -0.183 4.557 4.740 0.001 0.000 0.189 654 N C 0.822 176.324 175.510 -0.014 0.000 1.009 654 N CA 1.735 54.778 53.050 -0.011 0.000 0.872 654 N CB -0.277 38.215 38.487 0.009 0.000 0.980 654 N HN 0.392 nan 8.380 nan 0.000 0.436 655 D N -0.404 119.986 120.400 -0.016 0.000 2.755 655 D HA 0.103 4.743 4.640 0.001 0.000 0.257 655 D C 0.580 176.873 176.300 -0.013 0.000 1.291 655 D CA -0.164 53.830 54.000 -0.010 0.000 0.836 655 D CB -0.228 40.563 40.800 -0.014 0.000 1.059 655 D HN 0.379 nan 8.370 nan 0.000 0.486 656 I N -0.969 119.599 120.570 -0.003 0.000 3.911 656 I HA -0.038 4.132 4.170 0.001 0.000 0.388 656 I C 0.160 176.294 176.117 0.028 0.000 1.051 656 I CA -0.173 61.125 61.300 -0.004 0.000 1.133 656 I CB 0.195 38.153 38.000 -0.071 0.000 2.780 656 I HN -0.194 nan 8.210 nan 0.000 0.838 657 I N 1.907 122.486 120.570 0.015 0.000 2.163 657 I HA -0.295 3.876 4.170 0.001 0.000 0.243 657 I C 2.145 178.267 176.117 0.007 0.000 1.085 657 I CA 2.304 63.576 61.300 -0.047 0.000 1.347 657 I CB -0.945 36.961 38.000 -0.156 0.000 1.044 657 I HN 0.518 nan 8.210 nan 0.000 0.408 658 H N 0.326 119.388 119.070 -0.015 0.000 2.457 658 H HA -0.091 4.465 4.556 0.001 0.000 0.297 658 H C 2.298 177.636 175.328 0.016 0.000 1.092 658 H CA 1.942 57.999 56.048 0.015 0.000 1.309 658 H CB 0.130 29.901 29.762 0.015 0.000 1.382 658 H HN 0.235 nan 8.280 nan 0.000 0.535 659 S N -0.653 115.000 115.700 -0.079 0.000 2.406 659 S HA -0.055 4.415 4.470 0.001 0.000 0.228 659 S C 1.984 176.504 174.600 -0.132 0.000 1.020 659 S CA 0.929 59.050 58.200 -0.131 0.000 0.965 659 S CB -0.074 63.071 63.200 -0.091 0.000 0.798 659 S HN 0.271 nan 8.310 nan 0.000 0.488 660 I N 1.948 122.469 120.570 -0.081 0.000 2.226 660 I HA -0.116 4.054 4.170 0.001 0.000 0.245 660 I C 1.974 178.075 176.117 -0.026 0.000 1.100 660 I CA 0.934 62.192 61.300 -0.069 0.000 1.374 660 I CB -0.567 37.395 38.000 -0.063 0.000 1.057 660 I HN 0.259 nan 8.210 nan 0.000 0.413 661 I N -0.248 120.315 120.570 -0.012 0.000 2.179 661 I HA -0.241 3.929 4.170 0.001 0.000 0.242 661 I C 0.965 177.068 176.117 -0.025 0.000 1.088 661 I CA 0.867 62.217 61.300 0.083 0.000 1.357 661 I CB -0.447 37.585 38.000 0.052 0.000 1.051 661 I HN 0.184 nan 8.210 nan 0.000 0.409 665 A N 0.299 123.208 122.820 0.148 0.000 2.293 665 A HA 0.486 4.806 4.320 0.001 0.000 0.302 665 A C 1.050 178.638 177.584 0.006 0.000 1.119 665 A CA -0.398 51.718 52.037 0.132 0.000 0.823 665 A CB 0.776 19.861 19.000 0.142 0.000 1.097 665 A HN 0.248 nan 8.150 nan 0.000 0.491 666 D N -0.230 120.134 120.400 -0.060 0.000 2.149 666 D HA 0.053 4.694 4.640 0.001 0.000 0.201 666 D C 0.156 176.358 176.300 -0.164 0.000 0.972 666 D CA 1.588 55.520 54.000 -0.114 0.000 0.835 666 D CB 0.070 40.794 40.800 -0.128 0.000 0.966 666 D HN 0.222 nan 8.370 nan 0.000 0.476 667 V N 1.384 121.128 119.914 -0.284 0.000 2.851 667 V HA 0.373 4.493 4.120 0.001 0.000 0.307 667 V C -0.339 175.633 176.094 -0.203 0.000 1.129 667 V CA -1.072 61.028 62.300 -0.333 0.000 0.932 667 V CB 2.735 34.070 31.823 -0.813 0.000 1.024 667 V HN 0.026 nan 8.190 nan 0.000 0.426 668 I N 0.298 120.792 120.570 -0.127 0.000 2.545 668 I HA 0.854 5.024 4.170 0.001 0.000 0.292 668 I C -0.613 175.431 176.117 -0.123 0.000 1.040 668 I CA -0.380 60.855 61.300 -0.108 0.000 1.068 668 I CB 2.444 40.349 38.000 -0.157 0.000 1.251 668 I HN 0.597 nan 8.210 nan 0.000 0.424 669 T N 6.950 121.487 114.554 -0.028 0.000 2.812 669 T HA 0.704 5.054 4.350 0.001 0.000 0.282 669 T C -0.406 174.357 174.700 0.105 0.000 0.990 669 T CA -0.540 61.584 62.100 0.039 0.000 0.960 669 T CB 0.803 69.728 68.868 0.094 0.000 0.948 669 T HN 0.664 nan 8.240 nan 0.000 0.438 670 I N 0.947 121.556 120.570 0.066 0.000 3.436 670 I HA 0.725 4.895 4.170 0.001 0.000 0.300 670 I C -0.282 175.940 176.117 0.175 0.000 1.131 670 I CA -1.314 60.069 61.300 0.138 0.000 1.001 670 I CB 1.680 39.761 38.000 0.134 0.000 1.305 670 I HN 0.414 nan 8.210 nan 0.000 0.494 671 E N 1.927 122.253 120.200 0.209 0.000 2.283 671 E HA 0.377 4.728 4.350 0.001 0.000 0.278 671 E C -1.012 175.662 176.600 0.124 0.000 1.027 671 E CA -0.346 56.139 56.400 0.141 0.000 0.843 671 E CB 0.862 30.622 29.700 0.101 0.000 1.062 671 E HN 0.459 nan 8.360 nan 0.000 0.401 672 N N 0.717 119.467 118.700 0.083 0.000 3.134 672 N HA 0.017 4.757 4.740 0.001 0.000 0.235 672 N C -1.024 174.518 175.510 0.053 0.000 1.092 672 N CA 0.507 53.596 53.050 0.064 0.000 1.038 672 N CB 1.494 40.029 38.487 0.079 0.000 1.684 672 N HN 0.531 nan 8.380 nan 0.000 0.551 673 S N 1.755 117.481 115.700 0.043 0.000 4.575 673 S HA 0.014 4.485 4.470 0.001 0.000 0.051 673 S C 0.182 174.803 174.600 0.035 0.000 0.854 673 S CA -0.395 57.832 58.200 0.044 0.000 1.004 673 S CB -0.356 62.871 63.200 0.047 0.000 0.457 673 S HN 0.653 nan 8.310 nan 0.000 0.794 674 R N 0.931 121.448 120.500 0.027 0.000 2.531 674 R HA 0.441 4.782 4.340 0.001 0.000 0.316 674 R C -0.447 175.864 176.300 0.019 0.000 0.955 674 R CA 0.226 56.339 56.100 0.023 0.000 1.120 674 R CB 1.247 31.560 30.300 0.022 0.000 1.361 674 R HN 0.363 nan 8.270 nan 0.000 0.534 675 S N 1.573 117.281 115.700 0.013 0.000 2.593 675 S HA 0.228 4.698 4.470 0.001 0.000 0.297 675 S C -0.746 173.865 174.600 0.018 0.000 1.112 675 S CA -0.866 57.335 58.200 0.001 0.000 1.043 675 S CB 1.715 64.892 63.200 -0.038 0.000 1.054 675 S HN 0.068 nan 8.310 nan 0.000 0.516 676 D N 2.488 122.901 120.400 0.022 0.000 2.342 676 D HA 0.073 4.713 4.640 0.001 0.000 0.260 676 D C 1.419 177.739 176.300 0.034 0.000 1.278 676 D CA -0.352 53.665 54.000 0.029 0.000 0.910 676 D CB 0.267 41.087 40.800 0.032 0.000 1.079 676 D HN 0.541 nan 8.370 nan 0.000 0.496 677 E N 3.129 123.351 120.200 0.038 0.000 2.197 677 E HA -0.349 4.001 4.350 0.001 0.000 0.205 677 E C 0.878 177.509 176.600 0.051 0.000 1.029 677 E CA 1.230 57.658 56.400 0.047 0.000 0.828 677 E CB -0.406 29.321 29.700 0.044 0.000 0.737 677 E HN 0.507 nan 8.360 nan 0.000 0.464 678 K N 0.624 121.050 120.400 0.043 0.000 2.286 678 K HA -0.056 4.265 4.320 0.001 0.000 0.203 678 K C 2.236 178.864 176.600 0.046 0.000 1.045 678 K CA 0.990 57.303 56.287 0.043 0.000 0.935 678 K CB -0.249 32.272 32.500 0.035 0.000 0.737 678 K HN 0.213 nan 8.250 nan 0.000 0.460 679 L N 0.692 121.942 121.223 0.045 0.000 2.465 679 L HA -0.079 4.261 4.340 0.001 0.000 0.224 679 L C 1.720 178.619 176.870 0.049 0.000 1.145 679 L CA 0.439 55.303 54.840 0.041 0.000 0.834 679 L CB -0.303 41.776 42.059 0.035 0.000 0.944 679 L HN 0.195 nan 8.230 nan 0.000 0.451 680 L N -0.202 121.073 121.223 0.087 0.000 2.622 680 L HA -0.098 4.243 4.340 0.001 0.000 0.233 680 L C 2.502 179.474 176.870 0.170 0.000 1.156 680 L CA 0.646 55.587 54.840 0.167 0.000 0.866 680 L CB -0.386 41.775 42.059 0.170 0.000 0.980 680 L HN 0.345 nan 8.230 nan 0.000 0.448 681 S N -0.849 114.904 115.700 0.089 0.000 2.555 681 S HA -0.092 4.378 4.470 0.001 0.000 0.230 681 S C 1.855 176.477 174.600 0.036 0.000 0.978 681 S CA 0.670 58.916 58.200 0.077 0.000 0.934 681 S CB -0.671 62.559 63.200 0.051 0.000 0.766 681 S HN 0.366 nan 8.310 nan 0.000 0.533 682 V N -2.323 117.563 119.914 -0.047 0.000 2.867 682 V HA 0.026 4.146 4.120 0.001 0.000 0.260 682 V C 1.804 177.751 176.094 -0.246 0.000 1.099 682 V CA 1.130 63.323 62.300 -0.177 0.000 1.122 682 V CB -1.356 30.282 31.823 -0.309 0.000 0.708 682 V HN 0.381 nan 8.190 nan 0.000 0.490 683 F N 0.442 120.375 119.950 -0.029 0.000 2.220 683 F HA 0.349 4.876 4.527 0.001 0.000 0.290 683 F C 2.208 178.035 175.800 0.045 0.000 1.080 683 F CA 0.708 58.685 58.000 -0.037 0.000 1.318 683 F CB -0.138 38.796 39.000 -0.109 0.000 1.063 683 F HN -0.059 nan 8.300 nan 0.000 0.498 684 R N 1.225 121.867 120.500 0.237 0.000 4.394 684 R HA 0.133 4.473 4.340 0.001 0.000 0.257 684 R C -0.648 175.715 176.300 0.104 0.000 1.727 684 R CA 0.245 56.443 56.100 0.163 0.000 1.497 684 R CB -0.265 30.117 30.300 0.137 0.000 1.406 684 R HN 0.007 nan 8.270 nan 0.000 0.745 685 E N -0.387 119.865 120.200 0.088 0.000 2.539 685 E HA 0.105 4.456 4.350 0.001 0.000 0.332 685 E C -0.080 176.547 176.600 0.046 0.000 0.910 685 E CA 0.105 56.538 56.400 0.056 0.000 0.785 685 E CB 1.227 30.951 29.700 0.039 0.000 1.406 685 E HN 0.495 nan 8.360 nan 0.000 0.391 686 G N 2.065 110.893 108.800 0.047 0.000 2.166 686 G HA2 -0.302 3.658 3.960 0.001 0.000 0.260 686 G HA3 -0.302 3.658 3.960 0.001 0.000 0.260 686 G C 0.607 175.541 174.900 0.057 0.000 0.986 686 G CA 0.817 45.941 45.100 0.039 0.000 0.683 686 G HN 0.457 nan 8.290 nan 0.000 0.527 687 V N -0.782 119.182 119.914 0.084 0.000 3.165 687 V HA 0.365 4.486 4.120 0.001 0.000 0.231 687 V C 1.188 177.377 176.094 0.159 0.000 1.365 687 V CA 1.179 63.555 62.300 0.128 0.000 1.286 687 V CB 0.421 32.322 31.823 0.129 0.000 1.081 687 V HN 0.652 nan 8.190 nan 0.000 0.477 688 K N 0.305 120.797 120.400 0.153 0.000 4.405 688 K HA -0.293 4.028 4.320 0.001 0.000 0.287 688 K C 0.630 177.343 176.600 0.189 0.000 0.905 688 K CA 0.373 56.748 56.287 0.147 0.000 0.867 688 K CB -0.965 31.590 32.500 0.092 0.000 1.652 688 K HN 0.531 nan 8.250 nan 0.000 0.435 689 Y N 1.060 121.423 120.300 0.105 0.000 2.070 689 Y HA -0.137 4.413 4.550 0.001 0.000 0.280 689 Y C 1.825 177.747 175.900 0.037 0.000 1.148 689 Y CA 2.933 61.086 58.100 0.088 0.000 1.125 689 Y CB -0.411 38.104 38.460 0.092 0.000 0.975 689 Y HN 0.773 nan 8.280 nan 0.000 0.492 690 G N 0.130 108.881 108.800 -0.082 0.000 2.338 690 G HA2 0.053 4.014 3.960 0.001 0.000 0.296 690 G HA3 0.053 4.014 3.960 0.001 0.000 0.296 690 G C -0.070 174.611 174.900 -0.365 0.000 1.040 690 G CA 0.552 45.548 45.100 -0.173 0.000 1.004 690 G HN 1.026 nan 8.290 nan 0.000 0.509 691 A N -1.420 121.076 122.820 -0.539 0.000 2.588 691 A HA 0.989 5.309 4.320 0.001 0.000 0.290 691 A C 0.529 178.048 177.584 -0.108 0.000 1.136 691 A CA 0.264 52.017 52.037 -0.473 0.000 0.681 691 A CB 0.458 18.922 19.000 -0.893 0.000 1.282 691 A HN 1.897 nan 8.150 nan 0.000 0.421 692 G N -0.584 108.229 108.800 0.022 0.000 2.398 692 G HA2 0.496 4.457 3.960 0.001 0.000 0.246 692 G HA3 0.496 4.457 3.960 0.001 0.000 0.246 692 G C -0.677 174.311 174.900 0.146 0.000 1.289 692 G CA 0.322 45.532 45.100 0.182 0.000 0.869 692 G HN 1.217 nan 8.290 nan 0.000 0.543 693 I N 1.298 121.958 120.570 0.150 0.000 2.571 693 I HA 0.672 4.842 4.170 0.001 0.000 0.289 693 I C 0.062 176.211 176.117 0.054 0.000 1.115 693 I CA -0.918 60.355 61.300 -0.046 0.000 1.045 693 I CB 2.175 40.019 38.000 -0.259 0.000 1.238 693 I HN 0.539 nan 8.210 nan 0.000 0.424 694 G N 7.534 116.324 108.800 -0.016 0.000 3.764 694 G HA2 0.548 4.509 3.960 0.001 0.000 0.333 694 G HA3 0.548 4.509 3.960 0.001 0.000 0.333 694 G C -3.064 171.865 174.900 0.048 0.000 1.551 694 G CA -1.221 43.930 45.100 0.086 0.000 0.995 694 G HN 0.400 nan 8.290 nan 0.000 0.485 695 P HA 0.196 nan 4.420 nan 0.000 0.276 695 P C 1.060 178.406 177.300 0.077 0.000 1.243 695 P CA 0.063 63.194 63.100 0.053 0.000 0.768 695 P CB 1.252 32.981 31.700 0.049 0.000 0.856 696 G N 2.321 111.171 108.800 0.084 0.000 2.583 696 G HA2 0.194 4.155 3.960 0.001 0.000 0.230 696 G HA3 0.194 4.155 3.960 0.001 0.000 0.230 696 G C 0.705 175.656 174.900 0.084 0.000 1.249 696 G CA -0.005 45.145 45.100 0.082 0.000 0.857 696 G HN 0.480 nan 8.290 nan 0.000 0.569 697 V N -1.254 118.722 119.914 0.104 0.000 3.372 697 V HA 0.437 4.557 4.120 0.001 0.000 0.304 697 V C -0.477 175.718 176.094 0.169 0.000 1.530 697 V CA -0.385 61.980 62.300 0.108 0.000 1.080 697 V CB -0.385 31.492 31.823 0.090 0.000 0.929 697 V HN 0.893 nan 8.190 nan 0.000 0.455 698 Y N 1.362 121.658 120.300 -0.007 0.000 2.307 698 Y HA 0.668 5.218 4.550 0.001 0.000 0.323 698 Y C -0.995 174.879 175.900 -0.044 0.000 1.100 698 Y CA -1.842 56.242 58.100 -0.027 0.000 1.140 698 Y CB 1.510 39.946 38.460 -0.040 0.000 1.159 698 Y HN 0.327 nan 8.280 nan 0.000 0.436 699 D N 6.016 126.314 120.400 -0.169 0.000 2.342 699 D HA 0.087 4.727 4.640 0.001 0.000 0.260 699 D C 1.200 177.134 176.300 -0.610 0.000 1.278 699 D CA 0.110 53.940 54.000 -0.283 0.000 0.910 699 D CB 0.433 41.179 40.800 -0.090 0.000 1.079 699 D HN 0.643 nan 8.370 nan 0.000 0.496 700 I N 0.572 120.711 120.570 -0.719 0.000 3.444 700 I HA 0.053 4.223 4.170 0.001 0.000 0.287 700 I C 0.696 176.500 176.117 -0.521 0.000 1.302 700 I CA 0.517 61.358 61.300 -0.765 0.000 1.368 700 I CB -0.283 37.309 38.000 -0.681 0.000 1.048 700 I HN 0.331 nan 8.210 nan 0.000 0.487 701 H N -0.095 118.842 119.070 -0.223 0.000 2.553 701 H HA 0.284 4.841 4.556 0.001 0.000 0.265 701 H C 0.870 176.129 175.328 -0.116 0.000 0.964 701 H CA 0.112 56.074 56.048 -0.145 0.000 1.156 701 H CB 0.413 30.105 29.762 -0.116 0.000 1.411 701 H HN 0.339 nan 8.280 nan 0.000 0.558 702 S N 1.104 116.781 115.700 -0.039 0.000 2.475 702 S HA 0.167 4.637 4.470 0.001 0.000 0.298 702 S C -1.788 172.799 174.600 -0.023 0.000 1.119 702 S CA -1.856 56.332 58.200 -0.020 0.000 1.085 702 S CB 1.194 64.388 63.200 -0.009 0.000 1.028 702 S HN 0.073 nan 8.310 nan 0.000 0.489 703 P HA 0.034 nan 4.420 nan 0.000 0.245 703 P C -0.169 177.154 177.300 0.038 0.000 1.212 703 P CA 0.047 63.153 63.100 0.011 0.000 0.774 703 P CB -0.070 31.632 31.700 0.003 0.000 0.999 704 R N 0.667 121.195 120.500 0.046 0.000 2.410 704 R HA 0.368 4.709 4.340 0.001 0.000 0.288 704 R C -0.007 176.356 176.300 0.104 0.000 1.051 704 R CA -0.895 55.239 56.100 0.057 0.000 1.021 704 R CB 0.669 30.993 30.300 0.040 0.000 1.032 704 R HN -0.153 nan 8.270 nan 0.000 0.481 705 I N 4.092 124.704 120.570 0.070 0.000 2.322 705 I HA 0.185 4.356 4.170 0.001 0.000 0.292 705 I C -1.533 174.601 176.117 0.029 0.000 1.060 705 I CA -2.578 58.751 61.300 0.047 0.000 1.309 705 I CB 0.158 38.160 38.000 0.004 0.000 1.415 705 I HN 0.530 nan 8.210 nan 0.000 0.492 706 P HA 0.176 nan 4.420 nan 0.000 0.272 706 P C -0.320 176.966 177.300 -0.023 0.000 1.240 706 P CA -0.229 62.886 63.100 0.026 0.000 0.791 706 P CB 0.958 32.698 31.700 0.066 0.000 0.978 707 S N -0.593 115.101 115.700 -0.010 0.000 2.593 707 S HA 0.261 4.732 4.470 0.001 0.000 0.297 707 S C 1.237 175.826 174.600 -0.019 0.000 1.112 707 S CA -0.530 57.658 58.200 -0.019 0.000 1.043 707 S CB 1.046 64.241 63.200 -0.007 0.000 1.054 707 S HN 0.351 nan 8.310 nan 0.000 0.516 708 S N 1.224 116.909 115.700 -0.024 0.000 2.402 708 S HA -0.208 4.263 4.470 0.001 0.000 0.233 708 S C 1.881 176.476 174.600 -0.008 0.000 1.030 708 S CA 1.763 59.952 58.200 -0.019 0.000 1.003 708 S CB -0.646 62.543 63.200 -0.018 0.000 0.813 708 S HN 0.943 nan 8.310 nan 0.000 0.477 709 E N 1.813 122.010 120.200 -0.005 0.000 2.047 709 E HA -0.206 4.145 4.350 0.001 0.000 0.191 709 E C 1.744 178.347 176.600 0.005 0.000 0.987 709 E CA 1.289 57.690 56.400 0.000 0.000 0.799 709 E CB -0.433 29.267 29.700 0.001 0.000 0.752 709 E HN 0.585 nan 8.360 nan 0.000 0.449 710 E N 1.030 121.235 120.200 0.007 0.000 2.028 710 E HA -0.130 4.221 4.350 0.001 0.000 0.191 710 E C 2.369 178.980 176.600 0.018 0.000 0.988 710 E CA 1.325 57.733 56.400 0.014 0.000 0.799 710 E CB -0.214 29.497 29.700 0.019 0.000 0.755 710 E HN 0.320 nan 8.360 nan 0.000 0.447 711 I N 1.535 122.114 120.570 0.015 0.000 2.127 711 I HA -0.317 3.854 4.170 0.001 0.000 0.241 711 I C 2.651 178.778 176.117 0.018 0.000 1.075 711 I CA 1.186 62.498 61.300 0.019 0.000 1.334 711 I CB -0.429 37.573 38.000 0.003 0.000 1.040 711 I HN 0.097 nan 8.210 nan 0.000 0.405 712 A N 0.217 123.043 122.820 0.010 0.000 1.940 712 A HA -0.317 4.003 4.320 0.001 0.000 0.219 712 A C 1.971 179.563 177.584 0.014 0.000 1.176 712 A CA 2.405 54.448 52.037 0.009 0.000 0.631 712 A CB -0.760 18.242 19.000 0.004 0.000 0.814 712 A HN 0.474 nan 8.150 nan 0.000 0.446 713 D N -0.693 119.716 120.400 0.014 0.000 2.117 713 D HA -0.143 4.498 4.640 0.001 0.000 0.197 713 D C 2.226 178.539 176.300 0.022 0.000 0.987 713 D CA 1.372 55.382 54.000 0.016 0.000 0.829 713 D CB -0.121 40.688 40.800 0.015 0.000 0.961 713 D HN 0.444 nan 8.370 nan 0.000 0.460 714 R N -0.228 120.288 120.500 0.027 0.000 2.096 714 R HA -0.059 4.281 4.340 0.001 0.000 0.235 714 R C 2.365 178.686 176.300 0.035 0.000 1.127 714 R CA 0.934 57.054 56.100 0.033 0.000 0.968 714 R CB -0.391 29.934 30.300 0.041 0.000 0.861 714 R HN 0.188 nan 8.270 nan 0.000 0.440 715 V N 1.897 121.831 119.914 0.032 0.000 2.515 715 V HA -0.198 3.922 4.120 0.001 0.000 0.250 715 V C 1.827 177.938 176.094 0.027 0.000 1.058 715 V CA 1.513 63.833 62.300 0.032 0.000 1.064 715 V CB -0.482 31.357 31.823 0.027 0.000 0.675 715 V HN 0.332 nan 8.190 nan 0.000 0.461 716 N N 0.075 118.788 118.700 0.022 0.000 2.135 716 N HA -0.045 4.695 4.740 0.001 0.000 0.186 716 N C 1.087 176.611 175.510 0.023 0.000 1.027 716 N CA 0.750 53.812 53.050 0.019 0.000 0.849 716 N CB -0.096 38.400 38.487 0.015 0.000 1.002 716 N HN 0.509 nan 8.380 nan 0.000 0.425 720 A N 0.556 123.395 122.820 0.031 0.000 2.076 720 A HA -0.080 4.240 4.320 0.001 0.000 0.220 720 A C 1.904 179.510 177.584 0.036 0.000 1.160 720 A CA 2.408 54.463 52.037 0.030 0.000 0.653 720 A CB -0.341 18.676 19.000 0.029 0.000 0.801 720 A HN 0.357 nan 8.150 nan 0.000 0.455 721 V N -3.963 115.977 119.914 0.044 0.000 3.013 721 V HA 0.381 4.501 4.120 0.001 0.000 0.238 721 V C 0.869 177.000 176.094 0.062 0.000 1.161 721 V CA -0.137 62.196 62.300 0.055 0.000 1.170 721 V CB -0.695 31.168 31.823 0.067 0.000 0.917 721 V HN 0.225 nan 8.190 nan 0.000 0.478 722 L N 1.645 122.903 121.223 0.059 0.000 2.357 722 L HA 0.568 4.908 4.340 0.001 0.000 0.273 722 L C 0.068 176.965 176.870 0.045 0.000 1.080 722 L CA -0.416 54.459 54.840 0.059 0.000 0.803 722 L CB 1.267 43.358 42.059 0.052 0.000 1.174 722 L HN 0.182 nan 8.230 nan 0.000 0.443 723 E N 2.679 122.907 120.200 0.046 0.000 2.299 723 E HA -0.047 4.303 4.350 0.001 0.000 0.272 723 E C -0.241 176.372 176.600 0.021 0.000 1.043 723 E CA -0.118 56.301 56.400 0.032 0.000 0.895 723 E CB 0.580 30.299 29.700 0.031 0.000 1.011 723 E HN 0.337 nan 8.360 nan 0.000 0.432 724 Q N 5.331 125.136 119.800 0.009 0.000 2.381 724 Q HA 0.034 4.375 4.340 0.001 0.000 0.243 724 Q C -0.698 175.290 176.000 -0.020 0.000 1.154 724 Q CA 0.350 56.148 55.803 -0.007 0.000 0.899 724 Q CB -0.125 28.606 28.738 -0.011 0.000 1.396 724 Q HN 0.746 nan 8.270 nan 0.000 0.485 725 N N 3.334 122.018 118.700 -0.027 0.000 2.463 725 N HA -0.080 4.661 4.740 0.001 0.000 0.243 725 N C -0.163 175.334 175.510 -0.022 0.000 1.465 725 N CA 0.736 53.763 53.050 -0.038 0.000 2.304 725 N CB -0.991 37.483 38.487 -0.021 0.000 1.407 725 N HN 0.537 nan 8.380 nan 0.000 0.935 726 I N -2.661 117.915 120.570 0.009 0.000 4.665 726 I HA 0.478 4.648 4.170 0.001 0.000 0.360 726 I C -0.579 175.642 176.117 0.173 0.000 1.259 726 I CA -0.546 60.808 61.300 0.089 0.000 1.301 726 I CB 0.223 38.273 38.000 0.082 0.000 1.746 726 I HN -0.025 nan 8.210 nan 0.000 0.598 727 L N 2.047 123.319 121.223 0.083 0.000 2.264 727 L HA 0.630 4.970 4.340 0.001 0.000 0.289 727 L C -1.105 175.835 176.870 0.116 0.000 1.044 727 L CA 0.146 55.064 54.840 0.130 0.000 0.807 727 L CB 0.497 42.594 42.059 0.063 0.000 1.192 727 L HN 0.174 nan 8.230 nan 0.000 0.425 728 W N 4.087 125.398 121.300 0.019 0.000 2.497 728 W HA 0.662 5.322 4.660 0.001 0.000 0.359 728 W C -0.718 175.818 176.519 0.029 0.000 1.131 728 W CA -0.587 56.779 57.345 0.035 0.000 1.280 728 W CB 1.480 30.977 29.460 0.062 0.000 1.319 728 W HN 0.136 nan 8.180 nan 0.000 0.626 729 V N 3.960 124.041 119.914 0.277 0.000 2.376 729 V HA 0.432 4.552 4.120 0.001 0.000 0.287 729 V C -0.266 175.935 176.094 0.177 0.000 1.015 729 V CA -0.838 61.563 62.300 0.169 0.000 0.834 729 V CB 0.368 32.247 31.823 0.092 0.000 1.001 729 V HN 0.666 nan 8.190 nan 0.000 0.428 730 N N 4.302 123.090 118.700 0.147 0.000 2.934 730 N HA 0.568 5.308 4.740 0.001 0.000 0.253 730 N C -3.424 172.149 175.510 0.105 0.000 1.466 730 N CA -1.514 51.606 53.050 0.117 0.000 0.858 730 N CB 2.486 41.033 38.487 0.100 0.000 1.459 730 N HN 0.172 nan 8.380 nan 0.000 0.532 731 P HA 0.251 nan 4.420 nan 0.000 0.289 731 P C 0.172 177.484 177.300 0.020 0.000 1.299 731 P CA -0.159 63.007 63.100 0.110 0.000 0.766 731 P CB 0.678 32.451 31.700 0.121 0.000 1.226 732 D N -1.440 118.929 120.400 -0.051 0.000 2.183 732 D HA -0.003 4.637 4.640 0.001 0.000 0.203 732 D C 0.695 176.987 176.300 -0.014 0.000 0.969 732 D CA 1.005 54.982 54.000 -0.038 0.000 0.842 732 D CB 0.081 40.812 40.800 -0.115 0.000 0.957 732 D HN 0.217 nan 8.370 nan 0.000 0.484 733 C N -2.505 116.713 119.300 -0.137 0.000 3.255 733 C HA 0.591 5.051 4.460 0.001 0.000 0.370 733 C C 0.410 175.259 174.990 -0.235 0.000 1.823 733 C CA -0.269 58.658 59.018 -0.152 0.000 1.131 733 C CB 0.790 28.490 27.740 -0.067 0.000 2.141 733 C HN 0.292 nan 8.230 nan 0.000 0.419 734 G N 0.446 109.122 108.800 -0.206 0.000 2.712 734 G HA2 0.401 4.361 3.960 0.001 0.000 0.258 734 G HA3 0.401 4.361 3.960 0.001 0.000 0.258 734 G C 0.133 174.878 174.900 -0.258 0.000 1.241 734 G CA -0.105 44.872 45.100 -0.205 0.000 0.923 734 G HN 0.863 nan 8.290 nan 0.000 0.548 735 L N -0.539 120.510 121.223 -0.291 0.000 2.906 735 L HA 0.244 4.584 4.340 0.001 0.000 0.255 735 L C 2.382 179.086 176.870 -0.277 0.000 1.166 735 L CA -0.152 54.482 54.840 -0.343 0.000 0.977 735 L CB 0.172 41.901 42.059 -0.549 0.000 1.313 735 L HN 0.689 nan 8.230 nan 0.000 0.549 736 K N 1.187 121.470 120.400 -0.196 0.000 2.077 736 K HA -0.259 4.062 4.320 0.001 0.000 0.213 736 K C 1.997 178.517 176.600 -0.132 0.000 1.051 736 K CA 2.436 58.639 56.287 -0.140 0.000 0.929 736 K CB -0.045 32.402 32.500 -0.089 0.000 0.715 736 K HN 0.405 nan 8.250 nan 0.000 0.451 737 T N -1.557 112.924 114.554 -0.121 0.000 3.085 737 T HA 0.027 4.377 4.350 0.001 0.000 0.263 737 T C 1.015 175.651 174.700 -0.107 0.000 1.127 737 T CA 0.039 62.085 62.100 -0.090 0.000 1.103 737 T CB 0.028 68.863 68.868 -0.054 0.000 0.921 737 T HN 0.005 nan 8.240 nan 0.000 0.510 738 R N 1.092 121.498 120.500 -0.157 0.000 2.541 738 R HA 0.586 4.927 4.340 0.001 0.000 0.263 738 R C -0.093 176.111 176.300 -0.161 0.000 1.112 738 R CA -0.602 55.410 56.100 -0.146 0.000 1.170 738 R CB 0.382 30.583 30.300 -0.165 0.000 1.167 738 R HN 0.015 nan 8.270 nan 0.000 0.582 739 K N 1.040 121.371 120.400 -0.114 0.000 2.259 739 K HA 0.152 4.472 4.320 0.001 0.000 0.252 739 K C 0.371 176.927 176.600 -0.074 0.000 0.936 739 K CA -0.486 55.745 56.287 -0.095 0.000 0.810 739 K CB 1.012 33.504 32.500 -0.013 0.000 1.143 739 K HN 0.443 nan 8.250 nan 0.000 0.427 740 Y N 0.628 120.947 120.300 0.032 0.000 2.283 740 Y HA -0.281 4.269 4.550 0.001 0.000 0.285 740 Y C 2.235 178.155 175.900 0.034 0.000 1.176 740 Y CA 2.347 60.475 58.100 0.047 0.000 1.229 740 Y CB -0.547 37.949 38.460 0.061 0.000 0.975 740 Y HN 0.679 nan 8.280 nan 0.000 0.537 741 T N -3.183 111.466 114.554 0.159 0.000 3.007 741 T HA -0.111 4.239 4.350 0.001 0.000 0.270 741 T C 1.344 176.084 174.700 0.066 0.000 1.107 741 T CA 1.530 63.688 62.100 0.098 0.000 1.118 741 T CB -0.120 68.790 68.868 0.069 0.000 0.889 741 T HN 0.480 nan 8.240 nan 0.000 0.506 742 E N 0.716 120.950 120.200 0.057 0.000 2.290 742 E HA 0.104 4.454 4.350 0.001 0.000 0.197 742 E C 2.436 179.069 176.600 0.055 0.000 0.948 742 E CA 0.637 57.069 56.400 0.053 0.000 0.895 742 E CB 0.263 29.996 29.700 0.054 0.000 0.865 742 E HN 0.503 nan 8.360 nan 0.000 0.486 743 V N -0.092 119.850 119.914 0.046 0.000 2.407 743 V HA -0.078 4.043 4.120 0.001 0.000 0.245 743 V C 1.990 178.093 176.094 0.015 0.000 1.041 743 V CA 1.090 63.401 62.300 0.017 0.000 1.040 743 V CB -0.443 31.344 31.823 -0.060 0.000 0.671 743 V HN 0.006 nan 8.190 nan 0.000 0.455 744 K N 1.503 121.963 120.400 0.101 0.000 1.987 744 K HA -0.096 4.224 4.320 0.001 0.000 0.216 744 K C 0.337 176.945 176.600 0.014 0.000 1.051 744 K CA 2.348 58.692 56.287 0.095 0.000 0.942 744 K CB -1.642 30.927 32.500 0.115 0.000 0.722 744 K HN 0.493 nan 8.250 nan 0.000 0.444 745 P HA -0.140 nan 4.420 nan 0.000 0.218 745 P C 1.116 178.357 177.300 -0.099 0.000 1.149 745 P CA 1.622 64.701 63.100 -0.035 0.000 0.817 745 P CB 0.042 31.730 31.700 -0.019 0.000 0.785 746 A N 0.733 123.452 122.820 -0.168 0.000 1.865 746 A HA -0.161 4.159 4.320 0.001 0.000 0.217 746 A C 2.494 179.845 177.584 -0.388 0.000 1.191 746 A CA 1.630 53.436 52.037 -0.384 0.000 0.623 746 A CB -1.661 16.910 19.000 -0.716 0.000 0.826 746 A HN 0.116 nan 8.150 nan 0.000 0.444 747 L N -0.701 120.351 121.223 -0.285 0.000 2.042 747 L HA -0.223 4.118 4.340 0.001 0.000 0.210 747 L C 2.669 179.486 176.870 -0.089 0.000 1.076 747 L CA 1.998 56.739 54.840 -0.164 0.000 0.749 747 L CB -0.471 41.564 42.059 -0.040 0.000 0.893 747 L HN 0.475 nan 8.230 nan 0.000 0.432 748 K N 0.083 120.446 120.400 -0.061 0.000 2.152 748 K HA -0.134 4.187 4.320 0.001 0.000 0.206 748 K C 0.806 177.378 176.600 -0.047 0.000 1.048 748 K CA 0.760 57.026 56.287 -0.035 0.000 0.933 748 K CB 0.093 32.579 32.500 -0.022 0.000 0.721 748 K HN 0.328 nan 8.250 nan 0.000 0.447 752 D N 1.634 122.025 120.400 -0.014 0.000 2.123 752 D HA -0.064 4.576 4.640 0.001 0.000 0.196 752 D C 2.070 178.364 176.300 -0.011 0.000 0.992 752 D CA 1.985 55.977 54.000 -0.013 0.000 0.833 752 D CB -0.273 40.518 40.800 -0.015 0.000 0.954 752 D HN 0.644 nan 8.370 nan 0.000 0.455 753 A N 1.132 123.945 122.820 -0.011 0.000 1.883 753 A HA -0.124 4.197 4.320 0.001 0.000 0.217 753 A C 2.313 179.895 177.584 -0.004 0.000 1.186 753 A CA 2.674 54.707 52.037 -0.006 0.000 0.624 753 A CB -0.906 18.092 19.000 -0.004 0.000 0.822 753 A HN 0.257 nan 8.150 nan 0.000 0.444 754 A N -0.265 122.552 122.820 -0.004 0.000 1.835 754 A HA -0.175 4.145 4.320 0.001 0.000 0.215 754 A C 2.086 179.662 177.584 -0.014 0.000 1.199 754 A CA 1.880 53.913 52.037 -0.007 0.000 0.615 754 A CB -0.655 18.341 19.000 -0.006 0.000 0.838 754 A HN 0.518 nan 8.150 nan 0.000 0.444 755 K N -0.904 119.488 120.400 -0.014 0.000 2.077 755 K HA -0.247 4.074 4.320 0.001 0.000 0.213 755 K C 1.936 178.527 176.600 -0.014 0.000 1.051 755 K CA 1.738 58.015 56.287 -0.016 0.000 0.929 755 K CB -0.602 31.890 32.500 -0.013 0.000 0.715 755 K HN 0.403 nan 8.250 nan 0.000 0.451 756 L N 1.554 122.770 121.223 -0.011 0.000 1.955 756 L HA -0.207 4.134 4.340 0.001 0.000 0.213 756 L C 2.044 178.909 176.870 -0.009 0.000 1.072 756 L CA 1.657 56.492 54.840 -0.009 0.000 0.755 756 L CB -0.519 41.536 42.059 -0.007 0.000 0.888 756 L HN 0.120 nan 8.230 nan 0.000 0.432 757 I N -0.119 120.446 120.570 -0.008 0.000 2.300 757 I HA -0.335 3.835 4.170 0.001 0.000 0.252 757 I C 2.702 178.812 176.117 -0.013 0.000 1.119 757 I CA 1.476 62.772 61.300 -0.008 0.000 1.384 757 I CB -1.411 36.586 38.000 -0.005 0.000 1.062 757 I HN 0.418 nan 8.210 nan 0.000 0.426 758 R N 0.813 121.302 120.500 -0.018 0.000 2.081 758 R HA -0.146 4.194 4.340 0.001 0.000 0.235 758 R C 2.573 178.862 176.300 -0.019 0.000 1.131 758 R CA 1.922 58.008 56.100 -0.024 0.000 0.960 758 R CB -0.400 29.882 30.300 -0.029 0.000 0.856 758 R HN 0.545 nan 8.270 nan 0.000 0.436 759 S N 0.618 116.309 115.700 -0.015 0.000 2.368 759 S HA -0.148 4.323 4.470 0.001 0.000 0.225 759 S C 1.070 175.663 174.600 -0.011 0.000 1.030 759 S CA 0.439 58.631 58.200 -0.013 0.000 0.999 759 S CB -0.162 63.032 63.200 -0.011 0.000 0.844 759 S HN 0.164 nan 8.310 nan 0.000 0.459 760 Q N 0.000 119.795 119.800 -0.009 0.000 2.315 760 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 760 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 760 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 760 Q HN 0.000 nan 8.270 nan 0.000 0.481