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 1ecj_1_B DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMPGQQ LRRKSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFLDT LRNDDAKAVQ RQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.909 174.990 -0.135 0.000 1.270 1 C CA 0.000 58.992 59.018 -0.043 0.000 1.963 1 C CB 0.000 27.693 27.740 -0.079 0.000 2.134 2 G N 0.690 109.299 108.800 -0.318 0.000 2.662 2 G HA2 0.826 4.787 3.960 0.000 0.000 0.302 2 G HA3 0.826 4.787 3.960 0.000 0.000 0.302 2 G C -1.232 173.505 174.900 -0.272 0.000 1.389 2 G CA -0.518 44.435 45.100 -0.245 0.000 0.998 2 G HN 1.091 nan 8.290 nan 0.000 0.502 3 I N -0.615 119.879 120.570 -0.128 0.000 2.646 3 I HA 0.882 5.052 4.170 0.000 0.000 0.299 3 I C -1.063 175.031 176.117 -0.039 0.000 1.036 3 I CA -1.439 59.833 61.300 -0.046 0.000 1.074 3 I CB 2.332 40.350 38.000 0.030 0.000 1.258 3 I HN 0.405 nan 8.210 nan 0.000 0.430 4 V N 3.058 122.956 119.914 -0.026 0.000 2.925 4 V HA 0.968 5.089 4.120 0.000 0.000 0.311 4 V C -0.466 175.611 176.094 -0.028 0.000 1.104 4 V CA -0.053 62.221 62.300 -0.044 0.000 0.954 4 V CB 2.160 33.942 31.823 -0.068 0.000 1.022 4 V HN 1.132 nan 8.190 nan 0.000 0.427 5 G N 5.521 114.297 108.800 -0.040 0.000 2.739 5 G HA2 0.680 4.640 3.960 0.000 0.000 0.292 5 G HA3 0.680 4.640 3.960 0.000 0.000 0.292 5 G C -1.704 173.177 174.900 -0.031 0.000 1.444 5 G CA -0.393 44.699 45.100 -0.013 0.000 1.144 5 G HN 0.724 nan 8.290 nan 0.000 0.550 6 I N 1.620 122.183 120.570 -0.012 0.000 2.466 6 I HA 0.567 4.737 4.170 0.000 0.000 0.289 6 I C 0.125 176.284 176.117 0.069 0.000 1.026 6 I CA -1.018 60.280 61.300 -0.004 0.000 1.078 6 I CB 2.404 40.381 38.000 -0.038 0.000 1.249 6 I HN 0.589 nan 8.210 nan 0.000 0.429 7 A N 5.146 128.037 122.820 0.119 0.000 2.316 7 A HA 0.815 5.135 4.320 0.000 0.000 0.324 7 A C 0.056 177.726 177.584 0.145 0.000 1.375 7 A CA -0.347 51.767 52.037 0.128 0.000 0.882 7 A CB 0.530 19.612 19.000 0.138 0.000 1.152 7 A HN 0.834 nan 8.150 nan 0.000 0.512 8 G N -0.372 108.496 108.800 0.113 0.000 2.932 8 G HA2 0.528 4.488 3.960 0.000 0.000 0.283 8 G HA3 0.528 4.488 3.960 0.000 0.000 0.283 8 G C 0.421 175.356 174.900 0.059 0.000 1.336 8 G CA 0.164 45.324 45.100 0.099 0.000 1.056 8 G HN 1.313 nan 8.290 nan 0.000 0.522 9 V N -2.753 117.182 119.914 0.035 0.000 3.483 9 V HA 0.496 4.616 4.120 0.000 0.000 0.301 9 V C 0.463 176.568 176.094 0.018 0.000 1.389 9 V CA 0.191 62.502 62.300 0.019 0.000 1.101 9 V CB -1.383 30.439 31.823 -0.003 0.000 0.971 9 V HN 0.684 nan 8.190 nan 0.000 0.434 10 M N -2.615 117.002 119.600 0.029 0.000 2.644 10 M HA 0.710 5.190 4.480 0.000 0.000 0.273 10 M C -3.213 173.109 176.300 0.037 0.000 1.253 10 M CA -1.811 53.505 55.300 0.026 0.000 0.852 10 M CB 1.359 33.969 32.600 0.018 0.000 1.708 10 M HN -0.276 nan 8.290 nan 0.000 0.471 11 P HA -0.074 nan 4.420 nan 0.000 0.257 11 P C 0.826 178.148 177.300 0.037 0.000 1.153 11 P CA 0.198 63.316 63.100 0.031 0.000 0.762 11 P CB 0.236 31.949 31.700 0.021 0.000 0.743 12 V N 0.999 120.937 119.914 0.039 0.000 3.647 12 V HA -0.025 4.095 4.120 0.000 0.000 0.279 12 V C 1.633 177.738 176.094 0.018 0.000 1.314 12 V CA 0.742 63.066 62.300 0.039 0.000 1.125 12 V CB -0.902 30.948 31.823 0.044 0.000 0.907 12 V HN 0.365 nan 8.190 nan 0.000 0.434 13 N N 2.204 120.909 118.700 0.009 0.000 2.025 13 N HA -0.314 4.426 4.740 0.000 0.000 0.194 13 N C 1.772 177.271 175.510 -0.018 0.000 1.044 13 N CA 2.360 55.401 53.050 -0.015 0.000 0.851 13 N CB -0.931 37.548 38.487 -0.013 0.000 1.036 13 N HN 0.552 nan 8.380 nan 0.000 0.422 14 Q N 0.513 120.301 119.800 -0.020 0.000 2.135 14 Q HA -0.018 4.322 4.340 0.000 0.000 0.204 14 Q C 1.900 177.932 176.000 0.053 0.000 0.981 14 Q CA 1.927 57.717 55.803 -0.021 0.000 0.856 14 Q CB -0.376 28.339 28.738 -0.038 0.000 0.902 14 Q HN 0.503 nan 8.270 nan 0.000 0.425 15 S N -0.230 115.497 115.700 0.044 0.000 2.356 15 S HA -0.095 4.375 4.470 0.000 0.000 0.223 15 S C 1.848 176.461 174.600 0.021 0.000 1.032 15 S CA 1.328 59.559 58.200 0.052 0.000 1.005 15 S CB -0.309 62.929 63.200 0.064 0.000 0.867 15 S HN 0.417 nan 8.310 nan 0.000 0.449 16 I N 0.184 120.751 120.570 -0.005 0.000 2.286 16 I HA -0.193 3.977 4.170 0.000 0.000 0.248 16 I C 2.292 178.375 176.117 -0.057 0.000 1.115 16 I CA 1.298 62.569 61.300 -0.048 0.000 1.392 16 I CB -0.340 37.619 38.000 -0.067 0.000 1.065 16 I HN 0.271 nan 8.210 nan 0.000 0.418 17 Y N 2.074 122.263 120.300 -0.185 0.000 2.089 17 Y HA -0.303 4.247 4.550 -0.000 0.000 0.282 17 Y C 2.269 178.115 175.900 -0.090 0.000 1.139 17 Y CA 1.850 59.826 58.100 -0.206 0.000 1.123 17 Y CB -0.317 38.029 38.460 -0.190 0.000 0.980 17 Y HN 0.170 nan 8.280 nan 0.000 0.493 18 D N 0.305 120.844 120.400 0.232 0.000 2.123 18 D HA -0.215 4.425 4.640 0.000 0.000 0.196 18 D C 2.282 178.593 176.300 0.019 0.000 0.992 18 D CA 1.566 55.650 54.000 0.139 0.000 0.833 18 D CB -0.690 40.193 40.800 0.138 0.000 0.954 18 D HN 0.505 nan 8.370 nan 0.000 0.455 19 A N 0.893 123.709 122.820 -0.005 0.000 1.902 19 A HA -0.133 4.187 4.320 0.000 0.000 0.217 19 A C 2.433 179.981 177.584 -0.060 0.000 1.181 19 A CA 0.948 52.962 52.037 -0.037 0.000 0.623 19 A CB -0.779 18.181 19.000 -0.068 0.000 0.818 19 A HN 0.205 nan 8.150 nan 0.000 0.443 20 L N -0.843 120.321 121.223 -0.098 0.000 2.141 20 L HA -0.135 4.205 4.340 0.000 0.000 0.209 20 L C 2.711 179.510 176.870 -0.118 0.000 1.094 20 L CA 1.570 56.339 54.840 -0.117 0.000 0.763 20 L CB -0.899 41.075 42.059 -0.141 0.000 0.908 20 L HN 0.340 nan 8.230 nan 0.000 0.437 21 T N -0.068 114.397 114.554 -0.148 0.000 2.759 21 T HA -0.166 4.184 4.350 0.000 0.000 0.269 21 T C 1.807 176.484 174.700 -0.037 0.000 1.042 21 T CA 1.770 63.801 62.100 -0.115 0.000 1.140 21 T CB -0.267 68.540 68.868 -0.102 0.000 0.864 21 T HN 0.383 nan 8.240 nan 0.000 0.455 22 V N -1.372 118.533 119.914 -0.016 0.000 3.306 22 V HA 0.196 4.316 4.120 0.000 0.000 0.264 22 V C 1.715 177.862 176.094 0.089 0.000 1.149 22 V CA 0.779 63.090 62.300 0.018 0.000 1.143 22 V CB -0.567 31.262 31.823 0.009 0.000 0.767 22 V HN 0.212 nan 8.190 nan 0.000 0.476 23 L N 0.198 121.438 121.223 0.029 0.000 2.585 23 L HA 0.301 4.641 4.340 0.000 0.000 0.226 23 L C 2.253 179.022 176.870 -0.168 0.000 1.113 23 L CA 1.069 55.887 54.840 -0.038 0.000 0.876 23 L CB -0.732 41.266 42.059 -0.102 0.000 1.072 23 L HN 0.423 nan 8.230 nan 0.000 0.468 24 Q N 0.490 120.255 119.800 -0.057 0.000 2.242 24 Q HA -0.262 4.078 4.340 0.000 0.000 0.211 24 Q C 2.109 178.041 176.000 -0.113 0.000 0.992 24 Q CA 2.017 57.776 55.803 -0.074 0.000 0.889 24 Q CB -0.233 28.488 28.738 -0.029 0.000 0.913 24 Q HN 0.702 nan 8.270 nan 0.000 0.422 25 H N -1.402 117.576 119.070 -0.153 0.000 2.561 25 H HA 0.041 4.597 4.556 0.000 0.000 0.278 25 H C 0.760 175.868 175.328 -0.367 0.000 1.014 25 H CA 1.056 56.979 56.048 -0.208 0.000 1.211 25 H CB -0.089 29.533 29.762 -0.234 0.000 1.365 25 H HN 0.317 nan 8.280 nan 0.000 0.594 26 R N 0.466 120.418 120.500 -0.914 0.000 2.334 26 R HA 0.275 4.615 4.340 0.000 0.000 0.216 26 R C 0.036 176.220 176.300 -0.194 0.000 0.905 26 R CA 0.472 56.079 56.100 -0.821 0.000 1.064 26 R CB 0.946 30.857 30.300 -0.650 0.000 1.046 26 R HN 0.424 nan 8.270 nan 0.000 0.508 27 G N 0.814 109.589 108.800 -0.042 0.000 1.875 27 G HA2 -0.011 3.949 3.960 0.000 0.000 0.218 27 G HA3 -0.011 3.949 3.960 0.000 0.000 0.218 27 G C -0.627 174.306 174.900 0.055 0.000 1.648 27 G CA -0.754 44.462 45.100 0.193 0.000 0.941 27 G HN 0.004 nan 8.290 nan 0.000 0.689 28 Q N 0.978 120.811 119.800 0.055 0.000 2.282 28 Q HA 0.184 4.524 4.340 0.000 0.000 0.206 28 Q C 1.613 177.606 176.000 -0.012 0.000 0.878 28 Q CA 0.479 56.286 55.803 0.007 0.000 0.944 28 Q CB 0.728 29.469 28.738 0.004 0.000 1.100 28 Q HN 0.691 nan 8.270 nan 0.000 0.509 29 D N 0.467 120.855 120.400 -0.021 0.000 2.117 29 D HA -0.037 4.603 4.640 0.000 0.000 0.197 29 D C 0.086 176.374 176.300 -0.019 0.000 0.987 29 D CA 1.200 55.178 54.000 -0.037 0.000 0.829 29 D CB 0.320 41.087 40.800 -0.055 0.000 0.961 29 D HN 0.251 nan 8.370 nan 0.000 0.460 30 A N -1.361 121.463 122.820 0.007 0.000 2.602 30 A HA 0.806 5.126 4.320 0.000 0.000 0.290 30 A C -1.647 175.960 177.584 0.039 0.000 1.114 30 A CA -0.218 51.821 52.037 0.002 0.000 0.683 30 A CB 1.580 20.581 19.000 0.002 0.000 1.281 30 A HN 0.326 nan 8.150 nan 0.000 0.416 31 A N -0.551 122.285 122.820 0.026 0.000 2.547 31 A HA 0.884 5.204 4.320 0.000 0.000 0.297 31 A C -0.296 177.386 177.584 0.163 0.000 1.056 31 A CA 0.064 52.177 52.037 0.127 0.000 0.688 31 A CB 1.522 20.637 19.000 0.193 0.000 1.282 31 A HN 2.403 nan 8.150 nan 0.000 0.400 32 G N 0.246 109.217 108.800 0.286 0.000 2.706 32 G HA2 0.654 4.614 3.960 0.000 0.000 0.297 32 G HA3 0.654 4.614 3.960 0.000 0.000 0.297 32 G C -1.465 173.603 174.900 0.280 0.000 1.403 32 G CA -0.443 44.825 45.100 0.279 0.000 0.954 32 G HN 0.734 nan 8.290 nan 0.000 0.500 33 I N 1.404 122.135 120.570 0.268 0.000 2.607 33 I HA 0.523 4.693 4.170 0.000 0.000 0.290 33 I C -1.098 175.065 176.117 0.076 0.000 1.129 33 I CA -0.791 60.559 61.300 0.083 0.000 1.042 33 I CB 2.513 40.448 38.000 -0.109 0.000 1.242 33 I HN 0.443 nan 8.210 nan 0.000 0.421 34 I N 5.345 125.926 120.570 0.018 0.000 2.619 34 I HA 0.599 4.769 4.170 0.000 0.000 0.292 34 I C -0.694 175.433 176.117 0.017 0.000 1.100 34 I CA 0.096 61.392 61.300 -0.006 0.000 1.043 34 I CB 2.208 40.138 38.000 -0.117 0.000 1.239 34 I HN 0.738 nan 8.210 nan 0.000 0.420 35 T N 4.528 119.123 114.554 0.069 0.000 2.887 35 T HA 0.628 4.978 4.350 0.000 0.000 0.292 35 T C -0.586 174.228 174.700 0.190 0.000 1.087 35 T CA -0.765 61.400 62.100 0.109 0.000 1.009 35 T CB 1.770 70.685 68.868 0.079 0.000 1.203 35 T HN 0.387 nan 8.240 nan 0.000 0.518 36 I N 2.954 123.630 120.570 0.176 0.000 2.354 36 I HA 0.292 4.462 4.170 0.000 0.000 0.286 36 I C 0.079 176.243 176.117 0.078 0.000 1.007 36 I CA -0.886 60.503 61.300 0.149 0.000 1.167 36 I CB 1.102 39.186 38.000 0.140 0.000 1.320 36 I HN 0.804 nan 8.210 nan 0.000 0.458 37 D N 5.724 126.157 120.400 0.055 0.000 2.380 37 D HA 0.075 4.715 4.640 0.000 0.000 0.254 37 D C 1.270 177.584 176.300 0.024 0.000 1.288 37 D CA -0.396 53.628 54.000 0.040 0.000 1.008 37 D CB 0.800 41.623 40.800 0.037 0.000 1.099 37 D HN 0.483 nan 8.370 nan 0.000 0.537 38 A N -0.304 122.529 122.820 0.022 0.000 2.125 38 A HA -0.172 4.148 4.320 0.000 0.000 0.219 38 A C 1.392 178.981 177.584 0.008 0.000 1.156 38 A CA 0.944 52.991 52.037 0.016 0.000 0.671 38 A CB -0.640 18.370 19.000 0.016 0.000 0.794 38 A HN 0.557 nan 8.150 nan 0.000 0.459 39 N N 0.358 119.060 118.700 0.003 0.000 2.230 39 N HA 0.012 4.752 4.740 0.000 0.000 0.202 39 N C -0.496 175.000 175.510 -0.025 0.000 1.119 39 N CA 0.086 53.132 53.050 -0.006 0.000 0.851 39 N CB -0.029 38.457 38.487 -0.002 0.000 0.990 39 N HN 0.425 nan 8.380 nan 0.000 0.497 40 N N 0.394 119.074 118.700 -0.034 0.000 2.780 40 N HA -0.144 4.596 4.740 0.000 0.000 0.247 40 N C -1.086 174.328 175.510 -0.160 0.000 1.076 40 N CA 0.556 53.559 53.050 -0.078 0.000 0.688 40 N CB -1.674 36.782 38.487 -0.052 0.000 0.957 40 N HN 0.244 nan 8.380 nan 0.000 0.551 41 C N 0.637 119.851 119.300 -0.143 0.000 2.626 41 C HA 0.581 5.041 4.460 0.000 0.000 0.310 41 C C 0.551 175.472 174.990 -0.116 0.000 1.191 41 C CA -0.940 57.972 59.018 -0.176 0.000 1.517 41 C CB 0.838 28.545 27.740 -0.055 0.000 2.102 41 C HN 0.225 nan 8.230 nan 0.000 0.479 42 F N 2.482 122.371 119.950 -0.103 0.000 2.459 42 F HA 0.443 4.970 4.527 0.000 0.000 0.346 42 F C 1.065 176.805 175.800 -0.099 0.000 1.128 42 F CA 0.160 58.062 58.000 -0.165 0.000 1.268 42 F CB 0.487 39.224 39.000 -0.437 0.000 1.161 42 F HN 0.266 nan 8.300 nan 0.000 0.583 43 R N 3.324 123.921 120.500 0.162 0.000 2.435 43 R HA 0.481 4.821 4.340 0.000 0.000 0.308 43 R C -1.404 174.948 176.300 0.087 0.000 0.975 43 R CA -0.864 55.301 56.100 0.109 0.000 0.867 43 R CB 1.590 31.950 30.300 0.100 0.000 1.171 43 R HN 0.603 nan 8.270 nan 0.000 0.470 44 L N 2.255 123.531 121.223 0.087 0.000 2.333 44 L HA 0.741 5.081 4.340 0.000 0.000 0.269 44 L C -0.897 176.027 176.870 0.090 0.000 1.010 44 L CA -0.544 54.344 54.840 0.080 0.000 0.818 44 L CB 1.573 43.689 42.059 0.094 0.000 1.306 44 L HN 0.506 nan 8.230 nan 0.000 0.430 45 R N 2.793 123.353 120.500 0.099 0.000 2.745 45 R HA 0.493 4.833 4.340 0.000 0.000 0.290 45 R C -2.056 174.265 176.300 0.035 0.000 1.260 45 R CA -0.542 55.584 56.100 0.044 0.000 1.045 45 R CB 0.670 31.043 30.300 0.123 0.000 1.257 45 R HN 0.760 nan 8.270 nan 0.000 0.400 46 K N 2.405 122.747 120.400 -0.097 0.000 2.502 46 K HA 0.974 5.294 4.320 0.000 0.000 0.257 46 K C -1.452 175.035 176.600 -0.188 0.000 0.938 46 K CA -0.887 55.324 56.287 -0.126 0.000 0.819 46 K CB 2.399 34.848 32.500 -0.085 0.000 1.333 46 K HN 0.513 nan 8.250 nan 0.000 0.434 47 A N 1.626 124.326 122.820 -0.200 0.000 2.515 47 A HA 0.451 4.771 4.320 0.000 0.000 0.292 47 A C -1.747 175.758 177.584 -0.132 0.000 1.065 47 A CA -1.074 50.864 52.037 -0.165 0.000 0.641 47 A CB 0.804 19.681 19.000 -0.204 0.000 1.306 47 A HN 0.764 nan 8.150 nan 0.000 0.441 48 N N -0.343 118.302 118.700 -0.093 0.000 2.445 48 N HA 0.629 5.369 4.740 0.000 0.000 0.264 48 N C 0.357 175.825 175.510 -0.070 0.000 1.227 48 N CA 1.278 54.288 53.050 -0.067 0.000 0.963 48 N CB 0.999 39.458 38.487 -0.047 0.000 1.188 48 N HN 1.968 nan 8.380 nan 0.000 0.491 49 G N -0.994 107.776 108.800 -0.049 0.000 2.603 49 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 49 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 49 G C -0.763 174.117 174.900 -0.033 0.000 1.286 49 G CA -0.938 44.139 45.100 -0.038 0.000 0.871 49 G HN 0.457 nan 8.290 nan 0.000 0.568 50 L N 0.173 121.388 121.223 -0.013 0.000 2.482 50 L HA 0.140 4.480 4.340 0.000 0.000 0.273 50 L C 2.385 179.258 176.870 0.005 0.000 1.228 50 L CA -0.426 54.412 54.840 -0.002 0.000 0.827 50 L CB 0.144 42.210 42.059 0.012 0.000 1.099 50 L HN 0.500 nan 8.230 nan 0.000 0.494 51 V N 0.674 120.598 119.914 0.017 0.000 2.324 51 V HA -0.307 3.813 4.120 0.000 0.000 0.250 51 V C 2.403 178.587 176.094 0.149 0.000 1.060 51 V CA 2.344 64.698 62.300 0.090 0.000 1.042 51 V CB -0.759 30.988 31.823 -0.128 0.000 0.650 51 V HN 1.058 nan 8.190 nan 0.000 0.450 52 S N -0.190 115.556 115.700 0.076 0.000 2.399 52 S HA -0.227 4.243 4.470 0.000 0.000 0.231 52 S C 1.592 176.298 174.600 0.178 0.000 1.022 52 S CA 1.560 59.878 58.200 0.196 0.000 0.983 52 S CB -0.458 62.830 63.200 0.146 0.000 0.803 52 S HN 0.614 nan 8.310 nan 0.000 0.480 53 D N 1.580 122.033 120.400 0.087 0.000 2.120 53 D HA 0.032 4.672 4.640 0.000 0.000 0.202 53 D C 2.208 178.510 176.300 0.003 0.000 0.972 53 D CA 0.937 54.965 54.000 0.047 0.000 0.837 53 D CB -0.521 40.286 40.800 0.011 0.000 0.989 53 D HN 0.337 nan 8.370 nan 0.000 0.469 54 V N 0.443 120.283 119.914 -0.124 0.000 2.427 54 V HA -0.145 3.975 4.120 0.000 0.000 0.248 54 V C 0.638 176.440 176.094 -0.487 0.000 1.051 54 V CA 1.052 63.095 62.300 -0.428 0.000 1.048 54 V CB -0.483 30.847 31.823 -0.822 0.000 0.666 54 V HN -0.001 nan 8.190 nan 0.000 0.456 55 F N 0.324 120.411 119.950 0.230 0.000 2.388 55 F HA 0.574 5.101 4.527 -0.000 0.000 0.358 55 F C 0.376 176.367 175.800 0.319 0.000 1.122 55 F CA -0.711 57.490 58.000 0.335 0.000 1.056 55 F CB 0.702 39.936 39.000 0.389 0.000 1.155 55 F HN 0.039 nan 8.300 nan 0.000 0.461 56 E N 0.770 121.232 120.200 0.437 0.000 2.316 56 E HA 0.649 4.999 4.350 0.000 0.000 0.258 56 E C 0.648 177.284 176.600 0.060 0.000 0.952 56 E CA -0.824 55.658 56.400 0.137 0.000 0.818 56 E CB 1.618 31.285 29.700 -0.055 0.000 1.260 56 E HN 0.568 nan 8.360 nan 0.000 0.416 57 A N 1.394 124.209 122.820 -0.009 0.000 1.869 57 A HA -0.297 4.023 4.320 0.000 0.000 0.218 57 A C 1.988 179.560 177.584 -0.019 0.000 1.203 57 A CA 2.412 54.439 52.037 -0.016 0.000 0.638 57 A CB -0.898 18.086 19.000 -0.028 0.000 0.831 57 A HN 0.729 nan 8.150 nan 0.000 0.450 58 R N -1.662 118.781 120.500 -0.095 0.000 2.159 58 R HA -0.204 4.136 4.340 0.000 0.000 0.237 58 R C 1.805 178.111 176.300 0.011 0.000 1.131 58 R CA 1.753 57.803 56.100 -0.083 0.000 0.982 58 R CB -0.865 29.341 30.300 -0.157 0.000 0.868 58 R HN 0.625 nan 8.270 nan 0.000 0.453 59 H N 0.559 119.682 119.070 0.090 0.000 2.372 59 H HA 0.111 4.666 4.556 -0.000 0.000 0.301 59 H C 2.211 177.625 175.328 0.144 0.000 1.065 59 H CA 1.276 57.405 56.048 0.134 0.000 1.364 59 H CB -0.079 29.797 29.762 0.191 0.000 1.406 59 H HN 0.122 nan 8.280 nan 0.000 0.521 60 M N 0.901 120.645 119.600 0.239 0.000 2.229 60 M HA -0.113 4.367 4.480 0.000 0.000 0.264 60 M C 2.062 178.413 176.300 0.085 0.000 1.063 60 M CA 1.070 56.448 55.300 0.131 0.000 1.114 60 M CB -0.790 31.837 32.600 0.046 0.000 1.387 60 M HN 0.331 nan 8.290 nan 0.000 0.420 61 Q N 0.410 120.255 119.800 0.075 0.000 2.014 61 Q HA -0.223 4.117 4.340 0.000 0.000 0.207 61 Q C 2.007 178.047 176.000 0.067 0.000 0.993 61 Q CA 2.173 58.009 55.803 0.054 0.000 0.850 61 Q CB -0.447 28.318 28.738 0.044 0.000 0.916 61 Q HN 0.617 nan 8.270 nan 0.000 0.417 62 R N 0.574 121.129 120.500 0.092 0.000 2.237 62 R HA -0.048 4.292 4.340 0.000 0.000 0.219 62 R C 0.763 177.118 176.300 0.092 0.000 1.080 62 R CA 0.619 56.775 56.100 0.092 0.000 0.995 62 R CB -0.402 29.963 30.300 0.109 0.000 0.875 62 R HN 0.162 nan 8.270 nan 0.000 0.462 63 L N 3.129 124.411 121.223 0.099 0.000 2.437 63 L HA 0.132 4.472 4.340 0.000 0.000 0.243 63 L C -0.120 176.786 176.870 0.061 0.000 1.346 63 L CA 0.012 54.903 54.840 0.085 0.000 1.233 63 L CB -0.188 41.923 42.059 0.086 0.000 1.436 63 L HN 0.297 nan 8.230 nan 0.000 0.416 64 Q N 0.764 120.600 119.800 0.060 0.000 2.260 64 Q HA 0.716 5.056 4.340 0.000 0.000 0.238 64 Q C 0.472 176.503 176.000 0.051 0.000 0.948 64 Q CA -0.112 55.719 55.803 0.048 0.000 0.895 64 Q CB 1.894 30.658 28.738 0.043 0.000 1.218 64 Q HN 0.534 nan 8.270 nan 0.000 0.470 65 G N 0.852 109.679 108.800 0.044 0.000 2.406 65 G HA2 -0.134 3.826 3.960 0.000 0.000 0.680 65 G HA3 -0.134 3.826 3.960 0.000 0.000 0.680 65 G C -0.786 174.143 174.900 0.048 0.000 1.338 65 G CA -0.890 44.239 45.100 0.049 0.000 0.941 65 G HN 0.575 nan 8.290 nan 0.000 0.633 66 N N -0.276 118.454 118.700 0.051 0.000 2.214 66 N HA 0.289 5.029 4.740 0.000 0.000 0.214 66 N C 0.334 175.883 175.510 0.065 0.000 1.132 66 N CA 0.432 53.514 53.050 0.053 0.000 0.856 66 N CB 0.663 39.177 38.487 0.045 0.000 1.020 66 N HN 0.669 nan 8.380 nan 0.000 0.509 67 M N -0.192 119.451 119.600 0.073 0.000 2.322 67 M HA 0.554 5.035 4.480 0.000 0.000 0.285 67 M C -1.621 174.730 176.300 0.085 0.000 1.119 67 M CA -0.492 54.858 55.300 0.084 0.000 0.953 67 M CB 2.120 34.780 32.600 0.100 0.000 1.701 67 M HN 0.090 nan 8.290 nan 0.000 0.479 68 G N 3.975 112.815 108.800 0.067 0.000 2.601 68 G HA2 0.675 4.636 3.960 0.000 0.000 0.291 68 G HA3 0.675 4.636 3.960 0.000 0.000 0.291 68 G C -2.049 172.869 174.900 0.030 0.000 1.456 68 G CA -0.818 44.314 45.100 0.052 0.000 0.804 68 G HN 1.042 nan 8.290 nan 0.000 0.499 69 I N -1.547 119.033 120.570 0.017 0.000 2.785 69 I HA 0.994 5.164 4.170 0.000 0.000 0.302 69 I C 0.118 176.240 176.117 0.009 0.000 1.069 69 I CA -1.209 60.098 61.300 0.012 0.000 1.045 69 I CB 2.476 40.490 38.000 0.023 0.000 1.236 69 I HN 0.878 nan 8.210 nan 0.000 0.429 70 G N 2.098 110.908 108.800 0.016 0.000 2.680 70 G HA2 0.603 4.563 3.960 0.000 0.000 0.290 70 G HA3 0.603 4.563 3.960 0.000 0.000 0.290 70 G C -2.040 172.924 174.900 0.106 0.000 1.355 70 G CA -0.444 44.677 45.100 0.035 0.000 0.903 70 G HN 0.929 nan 8.290 nan 0.000 0.474 71 H N -0.935 118.133 119.070 -0.002 0.000 3.085 71 H HA 0.485 5.041 4.556 0.000 0.000 0.356 71 H C -1.556 173.780 175.328 0.013 0.000 1.178 71 H CA -0.400 55.646 56.048 -0.003 0.000 1.214 71 H CB 2.110 31.867 29.762 -0.008 0.000 1.881 71 H HN 0.742 nan 8.280 nan 0.000 0.538 72 V N 2.955 122.687 119.914 -0.304 0.000 2.487 72 V HA 0.627 4.747 4.120 0.000 0.000 0.298 72 V C 0.052 176.015 176.094 -0.219 0.000 1.028 72 V CA -1.026 61.196 62.300 -0.131 0.000 0.860 72 V CB 1.749 33.503 31.823 -0.115 0.000 0.991 72 V HN 0.724 nan 8.190 nan 0.000 0.427 73 R N 3.040 123.571 120.500 0.051 0.000 2.536 73 R HA 0.568 4.908 4.340 0.000 0.000 0.279 73 R C -1.842 174.558 176.300 0.165 0.000 1.001 73 R CA -0.727 55.468 56.100 0.159 0.000 1.027 73 R CB 1.600 32.042 30.300 0.238 0.000 1.096 73 R HN 0.872 nan 8.270 nan 0.000 0.502 74 Y N 3.994 124.335 120.300 0.067 0.000 2.331 74 Y HA 0.400 4.950 4.550 0.000 0.000 0.334 74 Y C -2.223 173.720 175.900 0.071 0.000 0.960 74 Y CA -2.563 55.583 58.100 0.077 0.000 1.130 74 Y CB 1.706 40.247 38.460 0.134 0.000 1.164 74 Y HN 0.587 nan 8.280 nan 0.000 0.458 75 P HA 0.111 nan 4.420 nan 0.000 0.262 75 P C -0.775 176.513 177.300 -0.020 0.000 1.182 75 P CA 0.562 63.602 63.100 -0.099 0.000 0.761 75 P CB 0.650 32.243 31.700 -0.178 0.000 0.795 76 T N -0.849 113.722 114.554 0.028 0.000 2.647 76 T HA 0.702 5.052 4.350 0.000 0.000 0.295 76 T C -0.791 173.911 174.700 0.003 0.000 1.126 76 T CA -1.051 61.076 62.100 0.045 0.000 1.040 76 T CB 0.875 69.801 68.868 0.096 0.000 1.472 76 T HN 0.204 nan 8.240 nan 0.000 0.500 77 A N -0.204 122.605 122.820 -0.018 0.000 2.376 77 A HA 0.644 4.964 4.320 0.000 0.000 0.298 77 A C 1.390 178.931 177.584 -0.071 0.000 1.271 77 A CA 0.357 52.350 52.037 -0.074 0.000 0.926 77 A CB -1.426 17.499 19.000 -0.124 0.000 1.141 77 A HN 2.278 nan 8.150 nan 0.000 0.539 78 G N 1.203 109.964 108.800 -0.066 0.000 2.255 78 G HA2 -0.115 3.845 3.960 0.000 0.000 0.196 78 G HA3 -0.115 3.845 3.960 0.000 0.000 0.196 78 G C 0.164 175.076 174.900 0.020 0.000 0.998 78 G CA 0.168 45.244 45.100 -0.039 0.000 0.656 78 G HN 1.381 nan 8.290 nan 0.000 0.490 79 S N 1.132 116.851 115.700 0.031 0.000 2.386 79 S HA 0.601 5.071 4.470 0.000 0.000 0.152 79 S C 0.229 174.845 174.600 0.028 0.000 1.511 79 S CA 0.095 58.330 58.200 0.057 0.000 1.246 79 S CB 0.932 64.195 63.200 0.106 0.000 1.338 79 S HN 1.287 nan 8.310 nan 0.000 0.409 80 S N 1.082 116.784 115.700 0.004 0.000 2.625 80 S HA 0.381 4.851 4.470 0.000 0.000 0.262 80 S C 1.407 175.998 174.600 -0.015 0.000 1.223 80 S CA -0.440 57.750 58.200 -0.016 0.000 0.993 80 S CB 0.208 63.392 63.200 -0.027 0.000 1.051 80 S HN 0.310 nan 8.310 nan 0.000 0.562 81 S N 0.717 116.399 115.700 -0.030 0.000 2.399 81 S HA -0.034 4.436 4.470 0.000 0.000 0.231 81 S C 2.086 176.674 174.600 -0.021 0.000 1.022 81 S CA 1.004 59.185 58.200 -0.031 0.000 0.983 81 S CB -0.986 62.190 63.200 -0.041 0.000 0.803 81 S HN 0.839 nan 8.310 nan 0.000 0.480 82 A N 1.585 124.396 122.820 -0.016 0.000 1.930 82 A HA 0.147 4.467 4.320 0.000 0.000 0.215 82 A C 1.439 179.024 177.584 0.002 0.000 1.176 82 A CA 0.370 52.401 52.037 -0.009 0.000 0.632 82 A CB -0.488 18.507 19.000 -0.010 0.000 0.819 82 A HN 0.437 nan 8.150 nan 0.000 0.445 83 S N 0.354 116.061 115.700 0.012 0.000 2.572 83 S HA 0.156 4.626 4.470 0.000 0.000 0.267 83 S C 0.177 174.801 174.600 0.040 0.000 1.361 83 S CA -0.486 57.736 58.200 0.036 0.000 1.009 83 S CB 0.415 63.647 63.200 0.055 0.000 0.888 83 S HN 0.561 nan 8.310 nan 0.000 0.553 84 E N 0.292 120.541 120.200 0.081 0.000 2.392 84 E HA 0.381 4.731 4.350 0.000 0.000 0.264 84 E C 0.209 176.780 176.600 -0.048 0.000 1.024 84 E CA -0.456 55.973 56.400 0.048 0.000 0.903 84 E CB 0.485 30.288 29.700 0.172 0.000 0.963 84 E HN 0.668 nan 8.360 nan 0.000 0.432 85 A N 3.887 126.601 122.820 -0.177 0.000 2.257 85 A HA 0.277 4.597 4.320 0.000 0.000 0.290 85 A C -0.240 176.980 177.584 -0.606 0.000 1.201 85 A CA -0.313 51.573 52.037 -0.250 0.000 0.863 85 A CB 0.635 19.551 19.000 -0.141 0.000 1.256 85 A HN 0.724 nan 8.150 nan 0.000 0.506 86 Q N -0.200 119.271 119.800 -0.548 0.000 2.241 86 Q HA 0.476 4.816 4.340 0.000 0.000 0.262 86 Q C -2.516 173.265 176.000 -0.365 0.000 1.014 86 Q CA -1.899 53.479 55.803 -0.709 0.000 0.885 86 Q CB 1.341 29.539 28.738 -0.899 0.000 1.311 86 Q HN 0.510 nan 8.270 nan 0.000 0.461 87 P HA 0.242 nan 4.420 nan 0.000 0.284 87 P C -1.148 175.999 177.300 -0.255 0.000 1.258 87 P CA -0.254 62.694 63.100 -0.254 0.000 0.824 87 P CB 0.605 32.248 31.700 -0.096 0.000 1.038 88 F N 1.076 121.020 119.950 -0.010 0.000 2.403 88 F HA 0.592 5.119 4.527 -0.000 0.000 0.326 88 F C 0.520 176.384 175.800 0.106 0.000 1.099 88 F CA 0.341 58.349 58.000 0.014 0.000 1.036 88 F CB 0.615 39.598 39.000 -0.029 0.000 1.336 88 F HN 0.400 nan 8.300 nan 0.000 0.497 89 Y N -1.377 119.034 120.300 0.184 0.000 2.662 89 Y HA 0.598 5.148 4.550 -0.000 0.000 0.334 89 Y C -2.010 173.969 175.900 0.132 0.000 1.185 89 Y CA -2.040 56.111 58.100 0.085 0.000 1.074 89 Y CB 0.500 38.907 38.460 -0.088 0.000 1.330 89 Y HN 0.557 nan 8.280 nan 0.000 0.458 90 V N -0.101 120.013 119.914 0.333 0.000 2.914 90 V HA 0.597 4.717 4.120 0.000 0.000 0.314 90 V C -0.713 175.616 176.094 0.393 0.000 1.084 90 V CA -0.910 61.510 62.300 0.199 0.000 0.963 90 V CB 2.142 34.035 31.823 0.118 0.000 1.025 90 V HN 0.915 nan 8.190 nan 0.000 0.432 91 N N 1.656 120.519 118.700 0.271 0.000 2.336 91 N HA 0.147 4.888 4.740 0.000 0.000 0.189 91 N C 0.354 175.944 175.510 0.134 0.000 1.113 91 N CA 0.766 53.971 53.050 0.259 0.000 0.858 91 N CB 0.375 38.975 38.487 0.189 0.000 0.970 91 N HN 1.026 nan 8.380 nan 0.000 0.471 92 S N -0.378 115.379 115.700 0.095 0.000 2.535 92 S HA 0.502 4.972 4.470 0.000 0.000 0.272 92 S C -3.273 171.322 174.600 -0.008 0.000 1.149 92 S CA -1.140 57.061 58.200 0.001 0.000 0.888 92 S CB 2.973 66.143 63.200 -0.050 0.000 1.110 92 S HN -0.155 nan 8.310 nan 0.000 0.463 93 P HA 0.289 nan 4.420 nan 0.000 0.278 93 P C -0.285 176.976 177.300 -0.065 0.000 1.238 93 P CA 0.271 63.242 63.100 -0.216 0.000 0.794 93 P CB -0.046 31.471 31.700 -0.306 0.000 0.955 94 Y N 0.490 120.794 120.300 0.007 0.000 3.300 94 Y HA -0.277 4.273 4.550 0.001 0.000 0.453 94 Y C 1.168 177.091 175.900 0.037 0.000 1.180 94 Y CA 2.020 60.132 58.100 0.020 0.000 2.522 94 Y CB -2.461 36.032 38.460 0.056 0.000 0.854 94 Y HN 0.940 nan 8.280 nan 0.000 0.511 95 G N 0.254 109.203 108.800 0.248 0.000 3.306 95 G HA2 0.266 4.226 3.960 0.000 0.000 0.672 95 G HA3 0.266 4.226 3.960 0.000 0.000 0.672 95 G C -0.927 174.274 174.900 0.502 0.000 1.212 95 G CA -0.497 44.783 45.100 0.300 0.000 1.150 95 G HN 0.514 nan 8.290 nan 0.000 0.509 96 I N 1.164 122.074 120.570 0.566 0.000 2.608 96 I HA 0.826 4.996 4.170 0.000 0.000 0.295 96 I C 0.206 176.523 176.117 0.333 0.000 1.049 96 I CA -1.012 60.568 61.300 0.466 0.000 1.063 96 I CB 2.744 40.936 38.000 0.321 0.000 1.248 96 I HN 0.506 nan 8.210 nan 0.000 0.424 97 T N 6.035 120.663 114.554 0.124 0.000 2.909 97 T HA 0.785 5.136 4.350 0.000 0.000 0.299 97 T C -1.662 173.070 174.700 0.054 0.000 1.073 97 T CA -0.504 61.553 62.100 -0.073 0.000 0.999 97 T CB 1.687 70.177 68.868 -0.631 0.000 1.098 97 T HN 0.619 nan 8.240 nan 0.000 0.477 98 L N 2.905 124.176 121.223 0.080 0.000 2.556 98 L HA 0.874 5.215 4.340 0.000 0.000 0.257 98 L C -1.692 175.223 176.870 0.075 0.000 0.955 98 L CA -0.652 54.242 54.840 0.089 0.000 0.850 98 L CB 1.762 43.899 42.059 0.129 0.000 1.398 98 L HN 0.890 nan 8.230 nan 0.000 0.412 99 A N 2.631 125.490 122.820 0.066 0.000 2.401 99 A HA 0.819 5.139 4.320 0.000 0.000 0.310 99 A C -1.629 176.069 177.584 0.190 0.000 1.075 99 A CA -0.390 51.694 52.037 0.079 0.000 0.746 99 A CB 1.279 20.347 19.000 0.113 0.000 1.277 99 A HN 0.929 nan 8.150 nan 0.000 0.425 100 H N 1.932 121.073 119.070 0.119 0.000 3.012 100 H HA 0.485 5.041 4.556 0.000 0.000 0.367 100 H C -2.057 173.401 175.328 0.217 0.000 1.211 100 H CA -0.590 55.528 56.048 0.117 0.000 1.139 100 H CB 1.699 31.496 29.762 0.058 0.000 1.838 100 H HN 0.746 nan 8.280 nan 0.000 0.550 101 N N 1.909 120.414 118.700 -0.325 0.000 2.448 101 N HA 0.507 5.247 4.740 0.000 0.000 0.279 101 N C -0.747 174.537 175.510 -0.377 0.000 1.025 101 N CA 0.293 53.142 53.050 -0.336 0.000 0.898 101 N CB 1.745 40.157 38.487 -0.126 0.000 1.303 101 N HN 1.076 nan 8.380 nan 0.000 0.495 102 G N 1.922 110.486 108.800 -0.394 0.000 2.357 102 G HA2 0.014 3.974 3.960 0.000 0.000 0.289 102 G HA3 0.014 3.974 3.960 0.000 0.000 0.289 102 G C -2.053 172.974 174.900 0.212 0.000 1.302 102 G CA -0.984 44.116 45.100 -0.000 0.000 0.936 102 G HN 0.694 nan 8.290 nan 0.000 0.513 103 N N -0.919 118.012 118.700 0.385 0.000 2.336 103 N HA 0.603 5.343 4.740 0.000 0.000 0.290 103 N C -0.692 175.048 175.510 0.384 0.000 1.058 103 N CA -0.760 52.521 53.050 0.384 0.000 0.865 103 N CB 1.622 40.273 38.487 0.272 0.000 1.581 103 N HN 0.574 nan 8.380 nan 0.000 0.480 104 L N 2.966 124.369 121.223 0.300 0.000 2.278 104 L HA 0.296 4.636 4.340 0.000 0.000 0.287 104 L C 1.325 178.294 176.870 0.165 0.000 1.072 104 L CA -0.425 54.534 54.840 0.198 0.000 0.819 104 L CB 0.937 43.049 42.059 0.089 0.000 1.176 104 L HN 0.795 nan 8.230 nan 0.000 0.435 105 T N -2.077 112.499 114.554 0.036 0.000 3.072 105 T HA -0.083 4.267 4.350 0.000 0.000 0.266 105 T C 1.046 175.447 174.700 -0.499 0.000 1.127 105 T CA 0.585 62.447 62.100 -0.395 0.000 1.107 105 T CB -0.323 68.271 68.868 -0.457 0.000 0.910 105 T HN 0.678 nan 8.240 nan 0.000 0.513 106 N N 0.656 119.263 118.700 -0.155 0.000 2.389 106 N HA 0.439 5.179 4.740 0.000 0.000 0.260 106 N C 1.299 176.799 175.510 -0.016 0.000 1.191 106 N CA 0.163 53.150 53.050 -0.105 0.000 0.885 106 N CB 0.117 38.556 38.487 -0.079 0.000 1.162 106 N HN 0.320 nan 8.380 nan 0.000 0.512 107 A N 1.022 123.889 122.820 0.078 0.000 1.873 107 A HA -0.291 4.029 4.320 0.000 0.000 0.218 107 A C 2.127 179.735 177.584 0.041 0.000 1.193 107 A CA 1.962 54.069 52.037 0.116 0.000 0.629 107 A CB -1.281 17.889 19.000 0.284 0.000 0.826 107 A HN 0.560 nan 8.150 nan 0.000 0.447 108 H N -0.484 118.467 119.070 -0.198 0.000 2.321 108 H HA -0.179 4.377 4.556 0.000 0.000 0.295 108 H C 2.030 177.242 175.328 -0.193 0.000 1.102 108 H CA 2.325 58.136 56.048 -0.395 0.000 1.266 108 H CB -0.163 29.074 29.762 -0.875 0.000 1.363 108 H HN 0.474 nan 8.280 nan 0.000 0.492 109 E N 0.193 120.311 120.200 -0.136 0.000 2.049 109 E HA -0.151 4.199 4.350 0.000 0.000 0.198 109 E C 2.517 179.044 176.600 -0.122 0.000 1.007 109 E CA 1.482 57.805 56.400 -0.127 0.000 0.809 109 E CB -0.451 29.211 29.700 -0.064 0.000 0.749 109 E HN 0.541 nan 8.360 nan 0.000 0.450 110 L N -0.273 120.898 121.223 -0.085 0.000 2.083 110 L HA -0.147 4.193 4.340 0.000 0.000 0.209 110 L C 2.650 179.480 176.870 -0.066 0.000 1.083 110 L CA 1.307 56.110 54.840 -0.062 0.000 0.752 110 L CB -0.358 41.674 42.059 -0.045 0.000 0.899 110 L HN 0.079 nan 8.230 nan 0.000 0.433 111 R N 0.732 121.176 120.500 -0.094 0.000 2.092 111 R HA -0.207 4.133 4.340 0.000 0.000 0.231 111 R C 2.367 178.630 176.300 -0.063 0.000 1.119 111 R CA 1.596 57.646 56.100 -0.083 0.000 0.970 111 R CB -0.022 30.221 30.300 -0.095 0.000 0.864 111 R HN 0.228 nan 8.270 nan 0.000 0.440 112 K N 0.366 120.688 120.400 -0.129 0.000 2.025 112 K HA -0.127 4.193 4.320 0.000 0.000 0.207 112 K C 1.788 178.391 176.600 0.005 0.000 1.049 112 K CA 1.222 57.470 56.287 -0.065 0.000 0.933 112 K CB 0.085 32.491 32.500 -0.157 0.000 0.714 112 K HN -0.059 nan 8.250 nan 0.000 0.438 113 K N 1.025 121.406 120.400 -0.033 0.000 2.020 113 K HA -0.169 4.151 4.320 0.000 0.000 0.212 113 K C 2.238 178.833 176.600 -0.008 0.000 1.050 113 K CA 1.517 57.789 56.287 -0.026 0.000 0.929 113 K CB -0.586 31.892 32.500 -0.036 0.000 0.714 113 K HN 0.253 nan 8.250 nan 0.000 0.443 114 L N -0.191 121.036 121.223 0.006 0.000 2.013 114 L HA -0.224 4.116 4.340 0.000 0.000 0.212 114 L C 2.512 179.428 176.870 0.077 0.000 1.073 114 L CA 1.275 56.130 54.840 0.024 0.000 0.753 114 L CB -0.431 41.640 42.059 0.020 0.000 0.890 114 L HN 0.049 nan 8.230 nan 0.000 0.432 115 F N 0.807 120.728 119.950 -0.047 0.000 2.084 115 F HA -0.179 4.348 4.527 -0.000 0.000 0.296 115 F C 2.441 178.221 175.800 -0.033 0.000 1.111 115 F CA 1.644 59.626 58.000 -0.031 0.000 1.224 115 F CB -0.252 38.733 39.000 -0.026 0.000 0.991 115 F HN 0.061 nan 8.300 nan 0.000 0.471 116 E N -0.102 120.011 120.200 -0.144 0.000 2.031 116 E HA -0.208 4.142 4.350 0.000 0.000 0.193 116 E C 2.118 178.598 176.600 -0.201 0.000 0.994 116 E CA 1.748 58.008 56.400 -0.233 0.000 0.800 116 E CB -0.284 29.360 29.700 -0.093 0.000 0.752 116 E HN 0.555 nan 8.360 nan 0.000 0.447 117 E N 0.301 120.429 120.200 -0.121 0.000 2.076 117 E HA -0.063 4.287 4.350 0.000 0.000 0.190 117 E C 1.732 178.270 176.600 -0.105 0.000 0.979 117 E CA 0.677 57.016 56.400 -0.102 0.000 0.807 117 E CB 0.236 29.892 29.700 -0.072 0.000 0.761 117 E HN -0.005 nan 8.360 nan 0.000 0.454 118 K N 0.086 120.433 120.400 -0.089 0.000 2.355 118 K HA 0.195 4.515 4.320 0.000 0.000 0.198 118 K C 0.141 176.699 176.600 -0.071 0.000 1.039 118 K CA -0.025 56.219 56.287 -0.071 0.000 1.075 118 K CB 0.708 33.182 32.500 -0.044 0.000 0.870 118 K HN 0.017 nan 8.250 nan 0.000 0.540 119 R N 1.149 121.575 120.500 -0.123 0.000 3.641 119 R HA -0.181 4.159 4.340 0.000 0.000 0.286 119 R C -0.502 175.851 176.300 0.088 0.000 1.153 119 R CA 0.524 56.545 56.100 -0.130 0.000 0.775 119 R CB -1.789 28.416 30.300 -0.157 0.000 1.215 119 R HN 0.161 nan 8.270 nan 0.000 0.474 120 R N 1.048 121.618 120.500 0.118 0.000 2.234 120 R HA 0.119 4.459 4.340 0.000 0.000 0.324 120 R C 0.051 176.471 176.300 0.200 0.000 1.054 120 R CA -0.635 55.537 56.100 0.120 0.000 0.912 120 R CB 0.563 30.888 30.300 0.042 0.000 1.030 120 R HN 0.112 nan 8.270 nan 0.000 0.455 121 H N 3.874 122.990 119.070 0.077 0.000 2.742 121 H HA 0.133 4.690 4.556 0.000 0.000 0.302 121 H C -0.400 174.901 175.328 -0.045 0.000 1.069 121 H CA -0.428 55.632 56.048 0.020 0.000 1.446 121 H CB 0.511 30.277 29.762 0.006 0.000 1.462 121 H HN 0.344 nan 8.280 nan 0.000 0.499 122 I N 5.604 125.873 120.570 -0.501 0.000 2.297 122 I HA 0.007 4.177 4.170 0.000 0.000 0.291 122 I C 0.984 176.626 176.117 -0.791 0.000 1.033 122 I CA -0.064 60.922 61.300 -0.523 0.000 1.253 122 I CB 0.438 38.276 38.000 -0.270 0.000 1.396 122 I HN 0.771 nan 8.210 nan 0.000 0.476 123 N N 3.736 121.989 118.700 -0.745 0.000 2.461 123 N HA -0.030 4.710 4.740 0.000 0.000 0.188 123 N C 0.449 175.851 175.510 -0.181 0.000 1.134 123 N CA 0.259 53.049 53.050 -0.435 0.000 0.878 123 N CB 0.457 38.816 38.487 -0.213 0.000 0.972 123 N HN 0.803 nan 8.380 nan 0.000 0.456 124 T N -5.541 108.886 114.554 -0.211 0.000 2.716 124 T HA 0.283 4.633 4.350 0.000 0.000 0.286 124 T C 0.634 175.285 174.700 -0.082 0.000 1.052 124 T CA -0.430 61.611 62.100 -0.098 0.000 1.024 124 T CB 1.010 69.854 68.868 -0.039 0.000 1.349 124 T HN -0.013 nan 8.240 nan 0.000 0.525 125 T N -1.326 113.216 114.554 -0.020 0.000 3.105 125 T HA 0.304 4.654 4.350 0.000 0.000 0.253 125 T C 0.814 175.530 174.700 0.027 0.000 1.047 125 T CA -0.118 61.984 62.100 0.002 0.000 0.944 125 T CB -0.184 68.678 68.868 -0.010 0.000 1.016 125 T HN 0.675 nan 8.240 nan 0.000 0.544 126 S N 3.005 118.718 115.700 0.023 0.000 2.448 126 S HA 0.143 4.613 4.470 0.000 0.000 0.279 126 S C 1.237 175.854 174.600 0.028 0.000 1.195 126 S CA -0.647 57.608 58.200 0.093 0.000 1.051 126 S CB 0.298 63.661 63.200 0.271 0.000 0.948 126 S HN 0.451 nan 8.310 nan 0.000 0.493 127 D N 3.956 124.416 120.400 0.100 0.000 2.311 127 D HA -0.114 4.526 4.640 0.000 0.000 0.212 127 D C 1.622 177.886 176.300 -0.061 0.000 0.972 127 D CA 1.106 55.136 54.000 0.050 0.000 0.887 127 D CB -0.494 40.383 40.800 0.128 0.000 0.915 127 D HN 0.448 nan 8.370 nan 0.000 0.497 128 S N -0.200 115.522 115.700 0.037 0.000 2.382 128 S HA -0.220 4.250 4.470 0.000 0.000 0.228 128 S C 1.809 176.372 174.600 -0.062 0.000 1.027 128 S CA 1.309 59.531 58.200 0.036 0.000 0.991 128 S CB -0.278 63.160 63.200 0.396 0.000 0.823 128 S HN 0.432 nan 8.310 nan 0.000 0.469 129 E N 0.144 120.148 120.200 -0.326 0.000 2.107 129 E HA -0.073 4.278 4.350 0.000 0.000 0.191 129 E C 1.966 178.399 176.600 -0.277 0.000 0.982 129 E CA 1.078 57.131 56.400 -0.578 0.000 0.809 129 E CB -0.155 28.903 29.700 -1.070 0.000 0.756 129 E HN 0.605 nan 8.360 nan 0.000 0.459 130 I N 0.989 121.437 120.570 -0.204 0.000 2.142 130 I HA -0.296 3.874 4.170 0.000 0.000 0.240 130 I C 2.638 178.702 176.117 -0.089 0.000 1.078 130 I CA 0.858 62.084 61.300 -0.124 0.000 1.343 130 I CB -0.295 37.655 38.000 -0.082 0.000 1.046 130 I HN 0.239 nan 8.210 nan 0.000 0.405 131 L N 0.488 121.642 121.223 -0.115 0.000 2.013 131 L HA -0.268 4.072 4.340 0.000 0.000 0.212 131 L C 2.585 179.469 176.870 0.024 0.000 1.073 131 L CA 1.467 56.247 54.840 -0.099 0.000 0.753 131 L CB -0.271 41.642 42.059 -0.243 0.000 0.890 131 L HN 0.276 nan 8.230 nan 0.000 0.432 132 L N -0.121 121.121 121.223 0.031 0.000 2.042 132 L HA -0.260 4.080 4.340 0.000 0.000 0.210 132 L C 2.126 179.076 176.870 0.133 0.000 1.076 132 L CA 1.916 56.839 54.840 0.139 0.000 0.749 132 L CB -0.986 41.142 42.059 0.114 0.000 0.893 132 L HN 0.314 nan 8.230 nan 0.000 0.432 133 N N -0.212 118.508 118.700 0.034 0.000 2.216 133 N HA -0.112 4.628 4.740 0.000 0.000 0.183 133 N C 1.832 177.359 175.510 0.028 0.000 1.017 133 N CA 1.572 54.632 53.050 0.016 0.000 0.861 133 N CB -0.006 38.461 38.487 -0.034 0.000 0.986 133 N HN 0.358 nan 8.380 nan 0.000 0.428 134 I N 0.801 121.394 120.570 0.038 0.000 2.179 134 I HA -0.234 3.936 4.170 0.000 0.000 0.242 134 I C 2.221 178.397 176.117 0.098 0.000 1.088 134 I CA 0.865 62.189 61.300 0.040 0.000 1.357 134 I CB -1.117 36.898 38.000 0.025 0.000 1.051 134 I HN 0.007 nan 8.210 nan 0.000 0.409 135 F N 2.209 122.154 119.950 -0.008 0.000 2.095 135 F HA -0.202 4.325 4.527 0.000 0.000 0.298 135 F C 2.523 178.342 175.800 0.032 0.000 1.104 135 F CA 1.424 59.432 58.000 0.012 0.000 1.232 135 F CB -0.585 38.451 39.000 0.060 0.000 0.987 135 F HN 0.044 nan 8.300 nan 0.000 0.475 136 A N -0.058 122.726 122.820 -0.059 0.000 1.883 136 A HA -0.225 4.095 4.320 0.000 0.000 0.217 136 A C 2.402 179.909 177.584 -0.128 0.000 1.186 136 A CA 2.565 54.525 52.037 -0.129 0.000 0.624 136 A CB -1.463 17.536 19.000 -0.001 0.000 0.822 136 A HN 0.525 nan 8.150 nan 0.000 0.444 137 S N -0.431 115.222 115.700 -0.078 0.000 2.402 137 S HA -0.140 4.330 4.470 0.000 0.000 0.229 137 S C 1.610 176.144 174.600 -0.111 0.000 1.021 137 S CA 1.255 59.406 58.200 -0.081 0.000 0.974 137 S CB -0.331 62.835 63.200 -0.057 0.000 0.800 137 S HN 0.538 nan 8.310 nan 0.000 0.484 138 E N 1.760 121.894 120.200 -0.111 0.000 2.072 138 E HA 0.055 4.405 4.350 0.000 0.000 0.191 138 E C 2.032 178.556 176.600 -0.127 0.000 0.985 138 E CA 0.760 57.093 56.400 -0.112 0.000 0.801 138 E CB -0.498 29.185 29.700 -0.029 0.000 0.750 138 E HN 0.551 nan 8.360 nan 0.000 0.452 139 L N 0.783 121.924 121.223 -0.137 0.000 2.465 139 L HA -0.133 4.207 4.340 0.000 0.000 0.224 139 L C 1.727 178.650 176.870 0.090 0.000 1.145 139 L CA 0.613 55.482 54.840 0.048 0.000 0.834 139 L CB -0.115 41.837 42.059 -0.179 0.000 0.944 139 L HN -0.008 nan 8.230 nan 0.000 0.451 140 D N -0.249 120.108 120.400 -0.071 0.000 2.363 140 D HA -0.095 4.545 4.640 0.000 0.000 0.220 140 D C 1.327 177.540 176.300 -0.146 0.000 0.994 140 D CA 0.446 54.394 54.000 -0.087 0.000 0.890 140 D CB 0.170 40.908 40.800 -0.103 0.000 0.906 140 D HN 0.141 nan 8.370 nan 0.000 0.530 141 N N -0.146 118.364 118.700 -0.317 0.000 2.314 141 N HA 0.031 4.771 4.740 0.000 0.000 0.200 141 N C -0.896 174.226 175.510 -0.648 0.000 1.135 141 N CA 0.191 52.949 53.050 -0.487 0.000 0.835 141 N CB 0.139 38.264 38.487 -0.604 0.000 0.989 141 N HN 0.135 nan 8.380 nan 0.000 0.478 142 F N 0.052 120.022 119.950 0.034 0.000 2.460 142 F HA 0.426 4.953 4.527 -0.000 0.000 0.341 142 F C 1.375 177.254 175.800 0.131 0.000 1.130 142 F CA -0.938 57.116 58.000 0.090 0.000 0.962 142 F CB 1.582 40.648 39.000 0.110 0.000 1.171 142 F HN -0.313 nan 8.300 nan 0.000 0.436 143 R N 0.702 121.361 120.500 0.265 0.000 2.275 143 R HA -0.009 4.331 4.340 0.000 0.000 0.199 143 R C 0.479 176.962 176.300 0.304 0.000 0.989 143 R CA 0.409 56.635 56.100 0.210 0.000 1.016 143 R CB -0.558 29.824 30.300 0.136 0.000 0.918 143 R HN 0.652 nan 8.270 nan 0.000 0.473 144 H N -1.736 117.476 119.070 0.237 0.000 2.710 144 H HA 0.295 4.851 4.556 0.000 0.000 0.361 144 H C -1.564 173.965 175.328 0.336 0.000 1.175 144 H CA -0.954 55.237 56.048 0.238 0.000 1.206 144 H CB 1.257 31.112 29.762 0.156 0.000 1.750 144 H HN -0.097 nan 8.280 nan 0.000 0.553 145 Y N 3.227 123.196 120.300 -0.550 0.000 2.442 145 Y HA 0.450 5.000 4.550 0.001 0.000 0.344 145 Y C -2.463 173.189 175.900 -0.413 0.000 0.976 145 Y CA -1.810 56.086 58.100 -0.340 0.000 1.040 145 Y CB 1.601 40.079 38.460 0.031 0.000 1.228 145 Y HN 0.649 nan 8.280 nan 0.000 0.451 146 P HA 0.351 nan 4.420 nan 0.000 0.282 146 P C -1.077 176.044 177.300 -0.299 0.000 1.287 146 P CA -0.485 62.075 63.100 -0.899 0.000 0.792 146 P CB 1.587 32.660 31.700 -1.045 0.000 1.163 147 L N 0.152 121.363 121.223 -0.020 0.000 2.439 147 L HA 0.258 4.598 4.340 0.000 0.000 0.261 147 L C 0.971 177.817 176.870 -0.040 0.000 1.153 147 L CA -0.535 54.260 54.840 -0.074 0.000 0.808 147 L CB 0.175 42.052 42.059 -0.304 0.000 1.126 147 L HN 0.284 nan 8.230 nan 0.000 0.460 148 E N 0.548 120.692 120.200 -0.092 0.000 2.214 148 E HA 0.257 4.607 4.350 0.000 0.000 0.274 148 E C 0.636 177.171 176.600 -0.110 0.000 0.977 148 E CA -0.264 56.102 56.400 -0.057 0.000 0.827 148 E CB 1.770 31.441 29.700 -0.047 0.000 1.130 148 E HN 0.661 nan 8.360 nan 0.000 0.394 149 A N 3.268 126.086 122.820 -0.004 0.000 1.954 149 A HA -0.305 4.015 4.320 0.000 0.000 0.222 149 A C 1.388 178.916 177.584 -0.093 0.000 1.199 149 A CA 2.427 54.462 52.037 -0.003 0.000 0.657 149 A CB -0.505 18.597 19.000 0.169 0.000 0.823 149 A HN 0.560 nan 8.150 nan 0.000 0.463 150 D N -0.297 120.143 120.400 0.067 0.000 2.133 150 D HA -0.165 4.475 4.640 0.000 0.000 0.195 150 D C 1.729 177.989 176.300 -0.066 0.000 0.997 150 D CA 1.572 55.652 54.000 0.135 0.000 0.840 150 D CB -0.688 40.133 40.800 0.036 0.000 0.947 150 D HN 0.746 nan 8.370 nan 0.000 0.452 151 N N 0.189 118.688 118.700 -0.336 0.000 2.036 151 N HA -0.156 4.584 4.740 0.000 0.000 0.195 151 N C 1.938 177.115 175.510 -0.556 0.000 1.037 151 N CA 0.938 53.486 53.050 -0.837 0.000 0.855 151 N CB -0.204 37.538 38.487 -1.242 0.000 1.033 151 N HN 0.160 nan 8.380 nan 0.000 0.423 152 I N 0.089 120.360 120.570 -0.499 0.000 2.264 152 I HA -0.253 3.917 4.170 0.000 0.000 0.248 152 I C 1.424 177.398 176.117 -0.240 0.000 1.111 152 I CA 1.160 62.206 61.300 -0.423 0.000 1.382 152 I CB -0.281 37.270 38.000 -0.748 0.000 1.060 152 I HN 0.093 nan 8.210 nan 0.000 0.418 153 F N 0.842 120.751 119.950 -0.068 0.000 2.259 153 F HA -0.047 4.480 4.527 0.000 0.000 0.298 153 F C 2.538 178.343 175.800 0.008 0.000 1.088 153 F CA 0.887 58.876 58.000 -0.018 0.000 1.358 153 F CB -0.991 38.006 39.000 -0.005 0.000 1.040 153 F HN -0.023 nan 8.300 nan 0.000 0.505 154 A N 0.261 123.195 122.820 0.190 0.000 1.855 154 A HA -0.039 4.282 4.320 0.000 0.000 0.215 154 A C 2.495 180.203 177.584 0.207 0.000 1.191 154 A CA 1.831 53.991 52.037 0.204 0.000 0.613 154 A CB -1.359 17.819 19.000 0.297 0.000 0.829 154 A HN 0.272 nan 8.150 nan 0.000 0.442 155 A N 0.167 123.136 122.820 0.248 0.000 1.859 155 A HA -0.191 4.129 4.320 0.000 0.000 0.217 155 A C 2.138 179.846 177.584 0.206 0.000 1.198 155 A CA 1.809 53.985 52.037 0.232 0.000 0.629 155 A CB -0.839 18.268 19.000 0.178 0.000 0.830 155 A HN 0.520 nan 8.150 nan 0.000 0.446 156 I N -0.350 120.322 120.570 0.169 0.000 2.194 156 I HA -0.334 3.836 4.170 0.000 0.000 0.246 156 I C 2.956 179.019 176.117 -0.090 0.000 1.093 156 I CA 1.165 62.392 61.300 -0.123 0.000 1.355 156 I CB -0.411 37.414 38.000 -0.292 0.000 1.046 156 I HN 0.407 nan 8.210 nan 0.000 0.413 157 A N 0.744 123.581 122.820 0.029 0.000 1.873 157 A HA -0.135 4.185 4.320 0.000 0.000 0.215 157 A C 2.588 180.195 177.584 0.038 0.000 1.186 157 A CA 1.758 53.819 52.037 0.040 0.000 0.616 157 A CB -0.858 18.183 19.000 0.067 0.000 0.823 157 A HN 0.421 nan 8.150 nan 0.000 0.442 158 A N -0.764 122.088 122.820 0.053 0.000 1.892 158 A HA -0.156 4.164 4.320 0.000 0.000 0.218 158 A C 2.317 179.918 177.584 0.029 0.000 1.188 158 A CA 2.528 54.590 52.037 0.040 0.000 0.631 158 A CB -1.501 17.525 19.000 0.044 0.000 0.822 158 A HN 0.443 nan 8.150 nan 0.000 0.447 159 T N 0.420 114.993 114.554 0.032 0.000 2.720 159 T HA -0.189 4.161 4.350 0.000 0.000 0.268 159 T C 1.683 176.381 174.700 -0.004 0.000 1.037 159 T CA 1.892 63.999 62.100 0.012 0.000 1.144 159 T CB -0.619 68.248 68.868 -0.003 0.000 0.864 159 T HN 0.714 nan 8.240 nan 0.000 0.444 160 N N 0.271 118.982 118.700 0.019 0.000 2.289 160 N HA -0.030 4.710 4.740 0.000 0.000 0.184 160 N C 2.090 177.653 175.510 0.088 0.000 1.016 160 N CA 0.650 53.764 53.050 0.106 0.000 0.872 160 N CB -0.021 38.548 38.487 0.136 0.000 0.973 160 N HN 0.346 nan 8.380 nan 0.000 0.433 161 R N 0.304 120.834 120.500 0.049 0.000 2.093 161 R HA 0.062 4.402 4.340 0.000 0.000 0.224 161 R C 1.872 178.187 176.300 0.026 0.000 1.101 161 R CA 0.685 56.808 56.100 0.038 0.000 0.979 161 R CB -0.156 30.159 30.300 0.026 0.000 0.877 161 R HN 0.248 nan 8.270 nan 0.000 0.441 162 L N 1.220 122.452 121.223 0.014 0.000 2.068 162 L HA 0.075 4.415 4.340 0.000 0.000 0.204 162 L C 1.534 178.400 176.870 -0.006 0.000 1.076 162 L CA 0.500 55.339 54.840 -0.001 0.000 0.753 162 L CB -0.326 41.728 42.059 -0.009 0.000 0.910 162 L HN 0.174 nan 8.230 nan 0.000 0.439 163 I N -1.534 119.028 120.570 -0.015 0.000 2.834 163 I HA 0.383 4.553 4.170 0.000 0.000 0.305 163 I C -0.269 175.878 176.117 0.051 0.000 1.008 163 I CA -0.560 60.722 61.300 -0.030 0.000 1.273 163 I CB 1.092 38.997 38.000 -0.157 0.000 1.432 163 I HN 0.061 nan 8.210 nan 0.000 0.557 164 R N 2.352 122.897 120.500 0.075 0.000 2.740 164 R HA 0.727 5.067 4.340 0.000 0.000 0.273 164 R C -0.285 176.145 176.300 0.217 0.000 0.998 164 R CA -0.294 55.891 56.100 0.141 0.000 0.900 164 R CB 2.092 32.426 30.300 0.057 0.000 1.223 164 R HN 1.158 nan 8.270 nan 0.000 0.466 165 G N 0.515 109.486 108.800 0.287 0.000 2.341 165 G HA2 0.209 4.169 3.960 0.000 0.000 0.196 165 G HA3 0.209 4.169 3.960 0.000 0.000 0.196 165 G C -1.659 173.422 174.900 0.301 0.000 1.231 165 G CA -0.364 44.981 45.100 0.409 0.000 1.155 165 G HN 0.782 nan 8.290 nan 0.000 0.529 166 A N -0.492 122.560 122.820 0.386 0.000 2.355 166 A HA 1.083 5.403 4.320 0.000 0.000 0.324 166 A C -0.751 177.045 177.584 0.354 0.000 1.117 166 A CA 0.181 52.293 52.037 0.125 0.000 0.785 166 A CB 1.320 20.343 19.000 0.037 0.000 1.254 166 A HN 2.289 nan 8.150 nan 0.000 0.453 167 Y N -2.391 117.980 120.300 0.118 0.000 2.573 167 Y HA 0.686 5.237 4.550 0.000 0.000 0.328 167 Y C -0.701 175.231 175.900 0.053 0.000 1.170 167 Y CA -0.912 57.288 58.100 0.166 0.000 1.078 167 Y CB 0.878 39.495 38.460 0.261 0.000 1.341 167 Y HN 1.251 nan 8.280 nan 0.000 0.459 168 A N 1.837 124.741 122.820 0.140 0.000 2.446 168 A HA 0.800 5.120 4.320 0.000 0.000 0.282 168 A C -1.162 176.394 177.584 -0.047 0.000 1.102 168 A CA -0.559 51.470 52.037 -0.013 0.000 0.737 168 A CB 0.109 19.091 19.000 -0.031 0.000 1.212 168 A HN 1.012 nan 8.150 nan 0.000 0.434 169 C N 0.681 119.816 119.300 -0.274 0.000 2.719 169 C HA 0.936 5.396 4.460 0.000 0.000 0.327 169 C C 0.011 174.809 174.990 -0.320 0.000 1.238 169 C CA -0.775 58.040 59.018 -0.338 0.000 1.727 169 C CB 1.492 28.833 27.740 -0.665 0.000 2.256 169 C HN 1.007 nan 8.230 nan 0.000 0.489 170 V N 0.712 120.529 119.914 -0.160 0.000 2.932 170 V HA 0.930 5.050 4.120 0.000 0.000 0.307 170 V C -0.730 175.361 176.094 -0.004 0.000 1.147 170 V CA 0.255 62.523 62.300 -0.054 0.000 0.951 170 V CB 1.697 33.518 31.823 -0.004 0.000 1.031 170 V HN 1.590 nan 8.190 nan 0.000 0.426 171 A N 6.675 129.530 122.820 0.059 0.000 2.602 171 A HA 0.969 5.290 4.320 0.000 0.000 0.290 171 A C -1.311 176.374 177.584 0.167 0.000 1.114 171 A CA -0.800 51.302 52.037 0.110 0.000 0.683 171 A CB 2.172 21.258 19.000 0.143 0.000 1.281 171 A HN 0.908 nan 8.150 nan 0.000 0.416 172 M N 0.501 120.220 119.600 0.198 0.000 2.591 172 M HA 0.611 5.092 4.480 0.000 0.000 0.306 172 M C -1.374 175.138 176.300 0.353 0.000 1.190 172 M CA -0.233 55.226 55.300 0.265 0.000 0.889 172 M CB 2.235 34.995 32.600 0.266 0.000 1.728 172 M HN 0.525 nan 8.290 nan 0.000 0.458 173 I N 2.649 123.420 120.570 0.335 0.000 2.468 173 I HA 0.382 4.553 4.170 0.000 0.000 0.284 173 I C -0.359 175.935 176.117 0.295 0.000 1.038 173 I CA -0.627 60.851 61.300 0.297 0.000 1.083 173 I CB 1.663 39.740 38.000 0.128 0.000 1.223 173 I HN 0.625 nan 8.210 nan 0.000 0.443 174 I N 5.602 126.316 120.570 0.239 0.000 2.845 174 I HA -0.047 4.123 4.170 0.000 0.000 0.296 174 I C 1.577 177.849 176.117 0.258 0.000 1.216 174 I CA 1.328 62.697 61.300 0.116 0.000 1.438 174 I CB 0.289 38.213 38.000 -0.127 0.000 1.342 174 I HN 1.020 nan 8.210 nan 0.000 0.577 175 G N 4.189 113.075 108.800 0.144 0.000 2.245 175 G HA2 -0.310 3.651 3.960 0.000 0.000 0.264 175 G HA3 -0.310 3.651 3.960 0.000 0.000 0.264 175 G C 0.493 175.280 174.900 -0.189 0.000 0.985 175 G CA 0.826 45.947 45.100 0.034 0.000 0.625 175 G HN 0.800 nan 8.290 nan 0.000 0.536 176 H N -0.843 118.268 119.070 0.069 0.000 2.179 176 H HA 0.539 5.095 4.556 -0.000 0.000 0.246 176 H C 1.532 177.014 175.328 0.256 0.000 0.904 176 H CA 1.455 57.575 56.048 0.120 0.000 1.113 176 H CB 0.387 30.171 29.762 0.037 0.000 1.396 176 H HN 1.173 nan 8.280 nan 0.000 0.484 177 G N -0.360 108.699 108.800 0.431 0.000 2.367 177 G HA2 0.228 4.188 3.960 0.000 0.000 0.272 177 G HA3 0.228 4.188 3.960 0.000 0.000 0.272 177 G C -1.550 173.571 174.900 0.368 0.000 1.271 177 G CA -0.438 44.891 45.100 0.382 0.000 0.893 177 G HN 0.204 nan 8.290 nan 0.000 0.485 178 M N 1.031 120.825 119.600 0.324 0.000 2.383 178 M HA 0.698 5.178 4.480 0.000 0.000 0.325 178 M C -0.407 176.086 176.300 0.322 0.000 1.092 178 M CA -0.952 54.505 55.300 0.263 0.000 0.961 178 M CB 1.871 34.571 32.600 0.167 0.000 1.672 178 M HN 1.137 nan 8.290 nan 0.000 0.438 179 V N 1.646 121.716 119.914 0.259 0.000 2.960 179 V HA 1.089 5.209 4.120 0.000 0.000 0.315 179 V C -1.105 175.107 176.094 0.198 0.000 1.087 179 V CA -0.542 61.911 62.300 0.254 0.000 0.982 179 V CB 1.533 33.469 31.823 0.187 0.000 1.039 179 V HN 1.058 nan 8.190 nan 0.000 0.437 180 A N 2.880 125.844 122.820 0.239 0.000 2.517 180 A HA 0.973 5.293 4.320 0.000 0.000 0.297 180 A C -1.175 176.571 177.584 0.269 0.000 1.050 180 A CA -0.477 51.636 52.037 0.127 0.000 0.694 180 A CB 1.507 20.551 19.000 0.073 0.000 1.277 180 A HN 2.081 nan 8.150 nan 0.000 0.400 181 F N -0.594 119.398 119.950 0.071 0.000 2.645 181 F HA 0.881 5.408 4.527 -0.000 0.000 0.310 181 F C -0.679 175.180 175.800 0.099 0.000 1.102 181 F CA -0.933 57.122 58.000 0.093 0.000 0.952 181 F CB 1.484 40.546 39.000 0.103 0.000 1.326 181 F HN 0.697 nan 8.300 nan 0.000 0.456 182 R N 1.340 121.971 120.500 0.217 0.000 2.778 182 R HA 0.325 4.665 4.340 0.000 0.000 0.277 182 R C -0.947 175.301 176.300 -0.087 0.000 0.977 182 R CA -0.814 55.296 56.100 0.015 0.000 0.950 182 R CB 1.357 31.654 30.300 -0.005 0.000 1.165 182 R HN 0.951 nan 8.270 nan 0.000 0.474 183 D N 3.369 123.459 120.400 -0.518 0.000 2.400 183 D HA -0.000 4.640 4.640 0.000 0.000 0.238 183 D C -1.832 174.296 176.300 -0.287 0.000 1.157 183 D CA -1.281 52.226 54.000 -0.822 0.000 0.889 183 D CB 1.136 41.231 40.800 -1.175 0.000 1.199 183 D HN 0.257 nan 8.370 nan 0.000 0.436 184 P HA -0.157 nan 4.420 nan 0.000 0.218 184 P C 0.784 178.035 177.300 -0.082 0.000 1.146 184 P CA 1.155 64.221 63.100 -0.057 0.000 0.820 184 P CB 0.140 31.837 31.700 -0.005 0.000 0.778 185 N N -1.900 116.718 118.700 -0.136 0.000 2.280 185 N HA 0.053 4.794 4.740 0.000 0.000 0.192 185 N C 0.864 176.301 175.510 -0.122 0.000 1.109 185 N CA 0.725 53.698 53.050 -0.129 0.000 0.855 185 N CB 0.002 38.385 38.487 -0.173 0.000 0.974 185 N HN 0.054 nan 8.380 nan 0.000 0.482 186 G N 2.143 110.866 108.800 -0.129 0.000 2.395 186 G HA2 -0.254 3.706 3.960 0.000 0.000 0.300 186 G HA3 -0.254 3.706 3.960 0.000 0.000 0.300 186 G C 0.858 175.711 174.900 -0.078 0.000 0.998 186 G CA 0.283 45.330 45.100 -0.088 0.000 1.046 186 G HN 0.373 nan 8.290 nan 0.000 0.513 187 I N -1.122 119.368 120.570 -0.134 0.000 2.339 187 I HA 0.110 4.280 4.170 0.000 0.000 0.245 187 I C 1.664 177.739 176.117 -0.070 0.000 1.096 187 I CA 0.528 61.760 61.300 -0.113 0.000 1.408 187 I CB -0.172 37.689 38.000 -0.231 0.000 1.092 187 I HN 0.097 nan 8.210 nan 0.000 0.423 188 R N 2.865 123.313 120.500 -0.086 0.000 2.297 188 R HA 0.310 4.650 4.340 0.000 0.000 0.308 188 R C -2.350 173.923 176.300 -0.045 0.000 1.029 188 R CA -2.015 54.048 56.100 -0.060 0.000 0.929 188 R CB 0.470 30.740 30.300 -0.050 0.000 1.046 188 R HN 0.012 nan 8.270 nan 0.000 0.461 189 P HA 0.081 nan 4.420 nan 0.000 0.268 189 P C -0.756 176.549 177.300 0.009 0.000 1.204 189 P CA -0.250 62.849 63.100 -0.002 0.000 0.768 189 P CB 0.885 32.581 31.700 -0.006 0.000 0.842 190 L N 4.519 125.762 121.223 0.034 0.000 2.676 190 L HA 0.349 4.689 4.340 0.000 0.000 0.262 190 L C -1.065 175.844 176.870 0.065 0.000 0.932 190 L CA -0.779 54.081 54.840 0.034 0.000 0.932 190 L CB 1.777 43.841 42.059 0.009 0.000 1.355 190 L HN 0.301 nan 8.230 nan 0.000 0.421 191 V N 2.281 122.242 119.914 0.077 0.000 2.914 191 V HA 0.824 4.944 4.120 0.000 0.000 0.314 191 V C -1.097 175.006 176.094 0.015 0.000 1.084 191 V CA -0.852 61.497 62.300 0.082 0.000 0.963 191 V CB 1.928 33.903 31.823 0.253 0.000 1.025 191 V HN 0.809 nan 8.190 nan 0.000 0.432 192 L N 2.478 123.655 121.223 -0.076 0.000 2.330 192 L HA 1.091 5.431 4.340 0.000 0.000 0.271 192 L C 0.215 177.038 176.870 -0.080 0.000 1.013 192 L CA 0.530 55.340 54.840 -0.050 0.000 0.816 192 L CB 1.577 43.611 42.059 -0.043 0.000 1.287 192 L HN 1.262 nan 8.230 nan 0.000 0.435 193 G N 2.457 111.302 108.800 0.074 0.000 2.682 193 G HA2 0.687 4.647 3.960 0.000 0.000 0.290 193 G HA3 0.687 4.647 3.960 0.000 0.000 0.290 193 G C -1.967 173.121 174.900 0.313 0.000 1.425 193 G CA -0.602 44.598 45.100 0.167 0.000 0.807 193 G HN 0.866 nan 8.290 nan 0.000 0.482 194 K N -1.207 119.343 120.400 0.250 0.000 2.522 194 K HA 0.845 5.165 4.320 0.000 0.000 0.275 194 K C -1.082 175.354 176.600 -0.273 0.000 1.006 194 K CA -1.201 55.059 56.287 -0.044 0.000 0.890 194 K CB 2.503 34.848 32.500 -0.258 0.000 1.475 194 K HN 0.588 nan 8.250 nan 0.000 0.441 195 R N 1.472 121.649 120.500 -0.537 0.000 2.585 195 R HA 0.151 4.491 4.340 0.000 0.000 0.288 195 R C -1.568 174.479 176.300 -0.423 0.000 1.194 195 R CA -0.469 55.260 56.100 -0.619 0.000 1.006 195 R CB 1.145 30.731 30.300 -1.190 0.000 1.229 195 R HN 0.843 nan 8.270 nan 0.000 0.412 196 D N 6.220 126.447 120.400 -0.288 0.000 2.348 196 D HA 0.080 4.720 4.640 0.000 0.000 0.253 196 D C 1.168 177.363 176.300 -0.175 0.000 1.161 196 D CA -0.193 53.682 54.000 -0.208 0.000 0.876 196 D CB 1.525 42.238 40.800 -0.147 0.000 1.160 196 D HN 0.366 nan 8.370 nan 0.000 0.459 197 I N 1.250 121.731 120.570 -0.147 0.000 2.628 197 I HA -0.054 4.116 4.170 0.000 0.000 0.255 197 I C 0.930 176.999 176.117 -0.080 0.000 1.119 197 I CA 1.169 62.402 61.300 -0.111 0.000 1.448 197 I CB -0.672 37.272 38.000 -0.094 0.000 1.133 197 I HN 0.511 nan 8.210 nan 0.000 0.438 198 D N -1.043 119.314 120.400 -0.072 0.000 3.182 198 D HA 0.061 4.701 4.640 0.000 0.000 0.352 198 D C -0.487 175.785 176.300 -0.047 0.000 1.421 198 D CA -0.637 53.331 54.000 -0.053 0.000 0.912 198 D CB 0.524 41.300 40.800 -0.040 0.000 1.461 198 D HN -0.225 nan 8.370 nan 0.000 0.548 199 E N -0.144 120.036 120.200 -0.034 0.000 2.383 199 E HA 0.242 4.592 4.350 0.000 0.000 0.257 199 E C -0.402 176.182 176.600 -0.025 0.000 1.079 199 E CA 0.746 57.130 56.400 -0.027 0.000 0.934 199 E CB -0.531 29.157 29.700 -0.020 0.000 0.978 199 E HN 0.592 nan 8.360 nan 0.000 0.462 200 N N 3.336 122.020 118.700 -0.026 0.000 2.783 200 N HA -0.212 4.528 4.740 0.000 0.000 0.247 200 N C -1.320 174.175 175.510 -0.025 0.000 1.089 200 N CA 0.770 53.809 53.050 -0.019 0.000 0.690 200 N CB -0.438 38.043 38.487 -0.009 0.000 0.991 200 N HN 0.499 nan 8.380 nan 0.000 0.552 201 R N 0.513 120.986 120.500 -0.045 0.000 2.921 201 R HA 0.242 4.582 4.340 0.000 0.000 0.269 201 R C -1.246 174.993 176.300 -0.102 0.000 1.696 201 R CA -0.411 55.656 56.100 -0.054 0.000 1.161 201 R CB 1.085 31.357 30.300 -0.046 0.000 1.337 201 R HN 0.086 nan 8.270 nan 0.000 0.496 202 T N 1.391 115.866 114.554 -0.132 0.000 2.888 202 T HA 0.348 4.698 4.350 0.000 0.000 0.284 202 T C -0.269 174.240 174.700 -0.319 0.000 1.017 202 T CA -0.690 61.235 62.100 -0.292 0.000 1.022 202 T CB 2.175 70.788 68.868 -0.426 0.000 1.013 202 T HN 0.300 nan 8.240 nan 0.000 0.465 203 E N 1.185 121.168 120.200 -0.363 0.000 2.183 203 E HA 0.440 4.790 4.350 0.000 0.000 0.271 203 E C -1.206 175.284 176.600 -0.184 0.000 0.919 203 E CA -0.664 55.653 56.400 -0.138 0.000 0.781 203 E CB 1.593 31.294 29.700 0.002 0.000 1.140 203 E HN 0.535 nan 8.360 nan 0.000 0.402 204 Y N 1.257 121.677 120.300 0.199 0.000 2.528 204 Y HA 0.558 5.108 4.550 0.000 0.000 0.335 204 Y C 0.175 176.174 175.900 0.165 0.000 1.093 204 Y CA -0.877 57.340 58.100 0.196 0.000 1.134 204 Y CB 1.854 40.349 38.460 0.059 0.000 1.253 204 Y HN 0.391 nan 8.280 nan 0.000 0.478 205 M N 2.614 122.348 119.600 0.225 0.000 2.465 205 M HA 0.699 5.179 4.480 0.000 0.000 0.284 205 M C -2.188 174.097 176.300 -0.025 0.000 1.212 205 M CA -0.798 54.457 55.300 -0.075 0.000 0.910 205 M CB 1.862 34.069 32.600 -0.655 0.000 1.725 205 M HN 0.473 nan 8.290 nan 0.000 0.477 206 V N 0.804 120.692 119.914 -0.044 0.000 2.962 206 V HA 1.109 5.229 4.120 0.000 0.000 0.313 206 V C -0.909 175.164 176.094 -0.035 0.000 1.099 206 V CA -0.149 62.143 62.300 -0.015 0.000 0.971 206 V CB 1.126 32.956 31.823 0.012 0.000 1.028 206 V HN 1.236 nan 8.190 nan 0.000 0.430 207 A N 1.845 124.659 122.820 -0.010 0.000 2.601 207 A HA 0.731 5.051 4.320 0.000 0.000 0.291 207 A C 0.459 178.049 177.584 0.010 0.000 1.075 207 A CA 0.144 52.173 52.037 -0.013 0.000 0.671 207 A CB 1.023 20.009 19.000 -0.023 0.000 1.277 207 A HN 1.020 nan 8.150 nan 0.000 0.417 208 S N -0.217 115.479 115.700 -0.005 0.000 2.402 208 S HA 0.041 4.511 4.470 0.000 0.000 0.229 208 S C 0.495 175.116 174.600 0.035 0.000 1.021 208 S CA 1.514 59.715 58.200 0.002 0.000 0.974 208 S CB -0.114 63.068 63.200 -0.030 0.000 0.800 208 S HN 0.625 nan 8.310 nan 0.000 0.484 209 E N -0.408 119.821 120.200 0.048 0.000 2.340 209 E HA 0.283 4.633 4.350 0.000 0.000 0.273 209 E C 0.303 176.969 176.600 0.110 0.000 0.891 209 E CA -0.180 56.268 56.400 0.080 0.000 0.757 209 E CB 1.777 31.518 29.700 0.069 0.000 1.231 209 E HN 0.151 nan 8.360 nan 0.000 0.439 210 S N 0.172 115.967 115.700 0.158 0.000 2.419 210 S HA -0.191 4.279 4.470 0.000 0.000 0.235 210 S C 2.039 176.729 174.600 0.149 0.000 1.019 210 S CA 1.351 59.680 58.200 0.215 0.000 0.982 210 S CB -0.740 62.601 63.200 0.235 0.000 0.789 210 S HN 0.482 nan 8.310 nan 0.000 0.490 211 V N -0.002 119.962 119.914 0.084 0.000 2.688 211 V HA 0.012 4.132 4.120 0.000 0.000 0.256 211 V C 2.455 178.582 176.094 0.054 0.000 1.084 211 V CA 1.354 63.684 62.300 0.051 0.000 1.103 211 V CB -1.635 30.186 31.823 -0.004 0.000 0.688 211 V HN 0.527 nan 8.190 nan 0.000 0.480 212 A N 0.138 122.989 122.820 0.051 0.000 2.016 212 A HA 0.132 4.452 4.320 0.000 0.000 0.217 212 A C 2.013 179.607 177.584 0.017 0.000 1.162 212 A CA 1.631 53.678 52.037 0.017 0.000 0.662 212 A CB -0.426 18.565 19.000 -0.014 0.000 0.812 212 A HN 0.513 nan 8.150 nan 0.000 0.450 213 L N 0.052 121.320 121.223 0.075 0.000 2.068 213 L HA -0.066 4.274 4.340 0.000 0.000 0.204 213 L C 1.941 178.933 176.870 0.204 0.000 1.076 213 L CA 1.723 56.647 54.840 0.141 0.000 0.753 213 L CB -0.753 41.447 42.059 0.235 0.000 0.910 213 L HN 0.254 nan 8.230 nan 0.000 0.439 214 D N -0.811 119.688 120.400 0.165 0.000 2.108 214 D HA -0.258 4.382 4.640 0.000 0.000 0.190 214 D C 2.139 178.511 176.300 0.120 0.000 0.995 214 D CA 2.096 56.179 54.000 0.139 0.000 0.834 214 D CB -0.683 40.181 40.800 0.107 0.000 0.967 214 D HN 0.232 nan 8.370 nan 0.000 0.446 215 T N -0.279 114.330 114.554 0.093 0.000 2.869 215 T HA -0.107 4.243 4.350 0.000 0.000 0.270 215 T C 1.702 176.467 174.700 0.108 0.000 1.082 215 T CA 0.692 62.840 62.100 0.079 0.000 1.123 215 T CB -0.171 68.729 68.868 0.053 0.000 0.856 215 T HN 0.073 nan 8.240 nan 0.000 0.499 216 L N -0.528 120.792 121.223 0.162 0.000 2.616 216 L HA 0.341 4.681 4.340 0.000 0.000 0.229 216 L C 1.635 178.696 176.870 0.317 0.000 1.110 216 L CA 0.358 55.350 54.840 0.253 0.000 0.884 216 L CB 0.101 42.323 42.059 0.271 0.000 1.115 216 L HN 0.450 nan 8.230 nan 0.000 0.481 217 G N 0.435 109.375 108.800 0.233 0.000 2.182 217 G HA2 -0.292 3.668 3.960 0.000 0.000 0.248 217 G HA3 -0.292 3.668 3.960 0.000 0.000 0.248 217 G C -0.181 174.753 174.900 0.056 0.000 1.042 217 G CA -0.347 44.823 45.100 0.115 0.000 0.775 217 G HN 0.119 nan 8.290 nan 0.000 0.501 218 F N 1.163 121.132 119.950 0.031 0.000 2.404 218 F HA 0.407 4.934 4.527 0.000 0.000 0.339 218 F C 0.677 176.510 175.800 0.054 0.000 1.105 218 F CA -1.020 56.995 58.000 0.026 0.000 1.087 218 F CB 1.102 40.122 39.000 0.032 0.000 1.143 218 F HN 0.011 nan 8.300 nan 0.000 0.491 219 D N 3.499 123.974 120.400 0.125 0.000 2.348 219 D HA 0.002 4.642 4.640 0.000 0.000 0.253 219 D C -0.362 176.055 176.300 0.195 0.000 1.161 219 D CA -0.028 54.048 54.000 0.128 0.000 0.876 219 D CB 0.808 41.630 40.800 0.037 0.000 1.160 219 D HN 0.296 nan 8.370 nan 0.000 0.459 220 F N 3.055 123.058 119.950 0.089 0.000 2.533 220 F HA 0.038 4.565 4.527 0.000 0.000 0.378 220 F C 0.634 176.477 175.800 0.071 0.000 1.070 220 F CA -0.121 57.932 58.000 0.089 0.000 1.172 220 F CB 0.370 39.408 39.000 0.063 0.000 1.085 220 F HN 0.313 nan 8.300 nan 0.000 0.552 221 L N 5.515 126.417 121.223 -0.534 0.000 2.116 221 L HA 0.226 4.567 4.340 0.000 0.000 0.200 221 L C 0.528 177.000 176.870 -0.663 0.000 1.084 221 L CA 0.483 55.099 54.840 -0.375 0.000 0.766 221 L CB -0.165 41.793 42.059 -0.169 0.000 0.930 221 L HN 0.718 nan 8.230 nan 0.000 0.453 222 R N -1.578 118.295 120.500 -1.045 0.000 2.979 222 R HA 0.231 4.571 4.340 0.000 0.000 0.286 222 R C -1.866 174.220 176.300 -0.357 0.000 0.972 222 R CA -0.911 54.802 56.100 -0.645 0.000 0.828 222 R CB 0.326 30.535 30.300 -0.150 0.000 1.368 222 R HN -0.213 nan 8.270 nan 0.000 0.511 223 D N 0.293 120.719 120.400 0.042 0.000 2.339 223 D HA 0.330 4.970 4.640 0.000 0.000 0.245 223 D C -0.424 175.900 176.300 0.040 0.000 1.115 223 D CA -0.238 53.827 54.000 0.109 0.000 0.917 223 D CB 1.365 42.273 40.800 0.180 0.000 1.192 223 D HN 0.267 nan 8.370 nan 0.000 0.428 224 V N 1.834 121.774 119.914 0.043 0.000 2.530 224 V HA 0.387 4.507 4.120 0.000 0.000 0.282 224 V C 0.542 176.663 176.094 0.045 0.000 1.048 224 V CA -0.597 61.728 62.300 0.041 0.000 0.997 224 V CB 0.868 32.722 31.823 0.051 0.000 0.987 224 V HN 0.688 nan 8.190 nan 0.000 0.477 225 A N 7.779 130.623 122.820 0.041 0.000 2.386 225 A HA 0.556 4.876 4.320 0.000 0.000 0.248 225 A C -2.349 175.250 177.584 0.026 0.000 1.082 225 A CA -1.446 50.610 52.037 0.031 0.000 0.789 225 A CB -0.159 18.855 19.000 0.024 0.000 1.025 225 A HN 0.701 nan 8.150 nan 0.000 0.490 226 P HA 0.175 nan 4.420 nan 0.000 0.260 226 P C 0.984 178.285 177.300 0.002 0.000 1.185 226 P CA 2.168 65.258 63.100 -0.016 0.000 0.763 226 P CB 0.363 32.045 31.700 -0.030 0.000 0.776 227 G N 1.933 110.743 108.800 0.016 0.000 2.179 227 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 227 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 227 G C 0.181 175.133 174.900 0.086 0.000 0.977 227 G CA -0.040 45.094 45.100 0.056 0.000 0.641 227 G HN 0.609 nan 8.290 nan 0.000 0.533 228 E N 0.495 120.750 120.200 0.092 0.000 2.313 228 E HA 0.671 5.021 4.350 0.000 0.000 0.272 228 E C 0.112 176.830 176.600 0.198 0.000 1.038 228 E CA -0.103 56.359 56.400 0.104 0.000 0.863 228 E CB 1.078 30.820 29.700 0.070 0.000 1.060 228 E HN 0.818 nan 8.360 nan 0.000 0.402 229 A N 4.973 127.928 122.820 0.225 0.000 2.356 229 A HA 0.524 4.844 4.320 0.000 0.000 0.310 229 A C -0.975 176.869 177.584 0.435 0.000 1.075 229 A CA -0.777 51.482 52.037 0.370 0.000 0.746 229 A CB 0.807 20.056 19.000 0.415 0.000 1.221 229 A HN 0.512 nan 8.150 nan 0.000 0.443 230 I N 1.714 122.514 120.570 0.384 0.000 2.525 230 I HA 0.429 4.599 4.170 0.000 0.000 0.301 230 I C -0.982 175.369 176.117 0.391 0.000 0.992 230 I CA -0.511 60.985 61.300 0.326 0.000 1.162 230 I CB 1.484 39.583 38.000 0.165 0.000 1.332 230 I HN 0.705 nan 8.210 nan 0.000 0.458 231 Y N 6.462 126.877 120.300 0.191 0.000 2.307 231 Y HA 0.491 5.041 4.550 0.000 0.000 0.323 231 Y C -1.414 174.465 175.900 -0.034 0.000 1.100 231 Y CA -1.475 56.671 58.100 0.077 0.000 1.140 231 Y CB 0.982 39.423 38.460 -0.032 0.000 1.159 231 Y HN 0.278 nan 8.280 nan 0.000 0.436 232 I N 6.117 126.521 120.570 -0.277 0.000 2.336 232 I HA 0.311 4.481 4.170 0.000 0.000 0.292 232 I C 0.763 176.562 176.117 -0.530 0.000 0.991 232 I CA -0.466 60.556 61.300 -0.465 0.000 1.227 232 I CB 1.191 39.070 38.000 -0.201 0.000 1.366 232 I HN 0.718 nan 8.210 nan 0.000 0.466 233 T N 1.579 115.750 114.554 -0.639 0.000 2.770 233 T HA 0.257 4.607 4.350 0.000 0.000 0.281 233 T C 0.921 175.546 174.700 -0.125 0.000 0.981 233 T CA -0.450 61.423 62.100 -0.378 0.000 0.955 233 T CB 1.216 69.920 68.868 -0.273 0.000 1.060 233 T HN 0.589 nan 8.240 nan 0.000 0.531 234 E N 0.033 120.216 120.200 -0.030 0.000 2.347 234 E HA -0.071 4.279 4.350 0.000 0.000 0.196 234 E C 1.324 177.916 176.600 -0.014 0.000 1.008 234 E CA 0.705 57.107 56.400 0.004 0.000 0.852 234 E CB 0.020 29.730 29.700 0.016 0.000 0.783 234 E HN 0.665 nan 8.360 nan 0.000 0.505 235 E N -0.620 119.556 120.200 -0.041 0.000 2.479 235 E HA 0.106 4.456 4.350 0.000 0.000 0.193 235 E C 0.882 177.462 176.600 -0.033 0.000 1.049 235 E CA 0.447 56.829 56.400 -0.030 0.000 0.870 235 E CB 0.761 30.446 29.700 -0.026 0.000 0.944 235 E HN 0.284 nan 8.360 nan 0.000 0.492 236 G N 0.691 109.464 108.800 -0.045 0.000 2.132 236 G HA2 -0.254 3.706 3.960 0.000 0.000 0.234 236 G HA3 -0.254 3.706 3.960 0.000 0.000 0.234 236 G C -0.153 174.718 174.900 -0.048 0.000 0.989 236 G CA -0.312 44.795 45.100 0.013 0.000 0.676 236 G HN 0.138 nan 8.290 nan 0.000 0.522 237 Q N -0.314 119.323 119.800 -0.272 0.000 2.243 237 Q HA 0.621 4.961 4.340 0.000 0.000 0.252 237 Q C -0.138 175.302 176.000 -0.933 0.000 0.909 237 Q CA -0.717 54.773 55.803 -0.523 0.000 0.922 237 Q CB 2.374 30.762 28.738 -0.583 0.000 1.215 237 Q HN 0.583 nan 8.270 nan 0.000 0.427 238 L N 2.888 123.582 121.223 -0.882 0.000 2.272 238 L HA 0.552 4.892 4.340 0.000 0.000 0.289 238 L C -1.600 174.880 176.870 -0.650 0.000 1.032 238 L CA -0.127 54.198 54.840 -0.859 0.000 0.810 238 L CB 0.359 41.881 42.059 -0.895 0.000 1.205 238 L HN 0.322 nan 8.230 nan 0.000 0.422 239 F N 2.066 121.975 119.950 -0.068 0.000 2.579 239 F HA 0.876 5.403 4.527 -0.000 0.000 0.324 239 F C 0.492 176.414 175.800 0.203 0.000 1.058 239 F CA -0.475 57.591 58.000 0.110 0.000 0.944 239 F CB 2.225 41.401 39.000 0.294 0.000 1.245 239 F HN 0.637 nan 8.300 nan 0.000 0.477 240 T N -0.644 114.084 114.554 0.290 0.000 2.864 240 T HA 0.855 5.205 4.350 0.000 0.000 0.299 240 T C -1.131 173.385 174.700 -0.306 0.000 1.166 240 T CA -0.965 61.187 62.100 0.086 0.000 1.007 240 T CB 2.795 71.689 68.868 0.043 0.000 1.219 240 T HN 0.813 nan 8.240 nan 0.000 0.506 241 R N 0.270 120.551 120.500 -0.365 0.000 2.664 241 R HA 0.388 4.728 4.340 0.000 0.000 0.260 241 R C -1.907 174.271 176.300 -0.203 0.000 1.062 241 R CA -0.649 55.160 56.100 -0.486 0.000 0.902 241 R CB 1.864 31.469 30.300 -1.159 0.000 1.258 241 R HN 0.713 nan 8.270 nan 0.000 0.465 242 Q N 2.115 121.832 119.800 -0.139 0.000 2.323 242 Q HA 0.220 4.560 4.340 0.000 0.000 0.257 242 Q C -0.655 175.325 176.000 -0.034 0.000 1.022 242 Q CA 0.156 55.928 55.803 -0.052 0.000 0.919 242 Q CB 0.909 29.622 28.738 -0.042 0.000 1.220 242 Q HN 0.693 nan 8.270 nan 0.000 0.427 243 C N 3.328 122.637 119.300 0.016 0.000 2.906 243 C HA 0.717 5.177 4.460 0.000 0.000 0.274 243 C C 0.679 175.693 174.990 0.041 0.000 1.257 243 C CA 0.183 59.223 59.018 0.037 0.000 1.695 243 C CB -0.983 26.796 27.740 0.065 0.000 1.958 243 C HN 0.831 nan 8.230 nan 0.000 0.619 244 A N 0.369 123.211 122.820 0.037 0.000 2.313 244 A HA 0.567 4.887 4.320 0.000 0.000 0.323 244 A C 0.341 177.938 177.584 0.022 0.000 1.133 244 A CA -0.185 51.875 52.037 0.039 0.000 0.847 244 A CB 0.797 19.823 19.000 0.044 0.000 1.308 244 A HN 0.236 nan 8.150 nan 0.000 0.475 245 D N -0.117 120.295 120.400 0.021 0.000 2.290 245 D HA -0.004 4.636 4.640 0.000 0.000 0.224 245 D C -0.112 176.192 176.300 0.006 0.000 0.967 245 D CA 1.333 55.340 54.000 0.012 0.000 0.893 245 D CB 0.026 40.834 40.800 0.013 0.000 1.037 245 D HN 0.604 nan 8.370 nan 0.000 0.477 246 N N 1.808 120.511 118.700 0.006 0.000 2.990 246 N HA 0.191 4.931 4.740 0.000 0.000 0.288 246 N C -2.574 172.932 175.510 -0.006 0.000 1.624 246 N CA -0.853 52.197 53.050 -0.001 0.000 0.961 246 N CB 1.603 40.089 38.487 -0.001 0.000 1.259 246 N HN 0.056 nan 8.380 nan 0.000 0.489 247 P HA 0.042 nan 4.420 nan 0.000 0.265 247 P C -0.587 176.700 177.300 -0.022 0.000 1.193 247 P CA 0.133 63.225 63.100 -0.014 0.000 0.765 247 P CB 1.347 33.043 31.700 -0.007 0.000 0.823 248 V N 2.276 122.170 119.914 -0.033 0.000 2.888 248 V HA 0.197 4.317 4.120 0.000 0.000 0.309 248 V C 0.040 176.103 176.094 -0.053 0.000 1.114 248 V CA -0.549 61.726 62.300 -0.042 0.000 0.940 248 V CB 2.425 34.222 31.823 -0.042 0.000 1.021 248 V HN 0.475 nan 8.190 nan 0.000 0.426 249 S N 3.190 118.853 115.700 -0.060 0.000 2.415 249 S HA 0.398 4.868 4.470 0.000 0.000 0.313 249 S C 0.028 174.570 174.600 -0.096 0.000 1.067 249 S CA -0.329 57.832 58.200 -0.064 0.000 1.099 249 S CB -0.287 62.878 63.200 -0.058 0.000 0.991 249 S HN 0.776 nan 8.310 nan 0.000 0.491 250 N N 3.921 122.581 118.700 -0.066 0.000 2.813 250 N HA 0.255 4.995 4.740 0.000 0.000 0.282 250 N C -3.044 172.492 175.510 0.044 0.000 1.748 250 N CA -1.331 51.694 53.050 -0.041 0.000 0.860 250 N CB 1.178 39.638 38.487 -0.044 0.000 1.204 250 N HN 0.295 nan 8.380 nan 0.000 0.490 251 P HA -0.105 nan 4.420 nan 0.000 0.265 251 P C 0.075 177.546 177.300 0.285 0.000 1.187 251 P CA -0.266 62.971 63.100 0.228 0.000 0.766 251 P CB 0.507 32.467 31.700 0.432 0.000 0.820 252 C N 5.408 124.788 119.300 0.133 0.000 2.663 252 C HA 0.068 4.528 4.460 0.000 0.000 0.398 252 C C 1.913 177.014 174.990 0.185 0.000 1.356 252 C CA -0.150 58.946 59.018 0.131 0.000 1.629 252 C CB -2.151 25.610 27.740 0.035 0.000 2.402 252 C HN 0.570 nan 8.230 nan 0.000 0.598 253 L N 5.683 127.097 121.223 0.318 0.000 2.265 253 L HA 0.069 4.409 4.340 0.000 0.000 0.215 253 L C 1.671 178.791 176.870 0.417 0.000 1.117 253 L CA 1.707 56.764 54.840 0.362 0.000 0.782 253 L CB -0.855 41.417 42.059 0.355 0.000 0.914 253 L HN 0.799 nan 8.230 nan 0.000 0.441 254 F N -0.092 119.939 119.950 0.135 0.000 2.206 254 F HA -0.112 4.415 4.527 0.000 0.000 0.298 254 F C 2.417 178.198 175.800 -0.032 0.000 1.090 254 F CA 0.922 58.984 58.000 0.103 0.000 1.323 254 F CB -0.264 38.753 39.000 0.029 0.000 1.028 254 F HN 0.143 nan 8.300 nan 0.000 0.492 255 E N -0.526 119.672 120.200 -0.004 0.000 2.086 255 E HA -0.271 4.079 4.350 0.000 0.000 0.200 255 E C 2.197 178.700 176.600 -0.162 0.000 1.012 255 E CA 1.817 58.132 56.400 -0.141 0.000 0.812 255 E CB -0.754 28.760 29.700 -0.309 0.000 0.743 255 E HN 0.451 nan 8.360 nan 0.000 0.453 256 Y N 0.272 120.587 120.300 0.025 0.000 2.263 256 Y HA -0.117 4.433 4.550 0.000 0.000 0.292 256 Y C 2.543 178.428 175.900 -0.025 0.000 1.130 256 Y CA 0.404 58.497 58.100 -0.011 0.000 1.179 256 Y CB -0.777 37.660 38.460 -0.038 0.000 0.998 256 Y HN -0.153 nan 8.280 nan 0.000 0.532 257 V N -0.738 119.248 119.914 0.120 0.000 2.343 257 V HA -0.264 3.856 4.120 0.000 0.000 0.247 257 V C 1.294 177.460 176.094 0.119 0.000 1.051 257 V CA 2.683 65.026 62.300 0.071 0.000 1.036 257 V CB -0.636 31.188 31.823 0.002 0.000 0.654 257 V HN 0.751 nan 8.190 nan 0.000 0.451 258 Y N -5.778 114.453 120.300 -0.115 0.000 2.749 258 Y HA 0.218 4.768 4.550 0.000 0.000 0.314 258 Y C 1.129 177.033 175.900 0.006 0.000 0.910 258 Y CA -0.593 57.465 58.100 -0.070 0.000 1.004 258 Y CB -0.658 37.732 38.460 -0.117 0.000 1.436 258 Y HN 0.010 nan 8.280 nan 0.000 0.576 259 F N 2.994 122.341 119.950 -1.006 0.000 2.259 259 F HA 0.532 5.059 4.527 -0.000 0.000 0.298 259 F C 1.338 177.007 175.800 -0.217 0.000 1.088 259 F CA 0.629 58.210 58.000 -0.698 0.000 1.358 259 F CB -0.222 38.372 39.000 -0.676 0.000 1.040 259 F HN 0.186 nan 8.300 nan 0.000 0.505 260 A N 0.581 123.349 122.820 -0.087 0.000 2.295 260 A HA 0.506 4.826 4.320 0.000 0.000 0.318 260 A C 0.044 177.562 177.584 -0.111 0.000 1.134 260 A CA -0.679 51.345 52.037 -0.021 0.000 0.827 260 A CB 0.412 19.393 19.000 -0.030 0.000 1.136 260 A HN 0.238 nan 8.150 nan 0.000 0.493 261 R N 1.990 122.356 120.500 -0.223 0.000 2.442 261 R HA 0.158 4.498 4.340 0.000 0.000 0.291 261 R C -1.476 174.706 176.300 -0.197 0.000 1.069 261 R CA -1.299 54.589 56.100 -0.353 0.000 1.022 261 R CB 0.685 30.684 30.300 -0.502 0.000 0.976 261 R HN 0.573 nan 8.270 nan 0.000 0.443 262 P HA -0.179 nan 4.420 nan 0.000 0.223 262 P C -0.056 177.143 177.300 -0.167 0.000 1.144 262 P CA 1.262 64.299 63.100 -0.104 0.000 0.783 262 P CB 0.200 31.848 31.700 -0.087 0.000 0.771 263 D N -1.459 118.806 120.400 -0.224 0.000 2.336 263 D HA 0.084 4.724 4.640 0.000 0.000 0.228 263 D C 0.104 176.191 176.300 -0.355 0.000 1.120 263 D CA -0.261 53.579 54.000 -0.267 0.000 0.839 263 D CB -0.256 40.440 40.800 -0.173 0.000 0.932 263 D HN -0.053 nan 8.370 nan 0.000 0.509 264 S N -0.284 115.206 115.700 -0.349 0.000 2.565 264 S HA 0.534 5.004 4.470 0.000 0.000 0.290 264 S C -0.824 173.515 174.600 -0.434 0.000 1.150 264 S CA -0.649 57.390 58.200 -0.267 0.000 1.058 264 S CB 0.750 63.896 63.200 -0.090 0.000 1.032 264 S HN 0.090 nan 8.310 nan 0.000 0.510 265 F N 2.477 122.421 119.950 -0.010 0.000 2.347 265 F HA 0.501 5.028 4.527 0.000 0.000 0.366 265 F C -0.083 175.754 175.800 0.062 0.000 1.107 265 F CA -0.516 57.477 58.000 -0.012 0.000 1.058 265 F CB 0.518 39.410 39.000 -0.181 0.000 1.236 265 F HN 0.292 nan 8.300 nan 0.000 0.456 266 I N 3.876 124.624 120.570 0.296 0.000 2.312 266 I HA 0.221 4.391 4.170 0.000 0.000 0.290 266 I C -0.434 175.898 176.117 0.358 0.000 1.008 266 I CA -0.563 60.903 61.300 0.276 0.000 1.226 266 I CB 0.956 39.033 38.000 0.129 0.000 1.371 266 I HN 0.503 nan 8.210 nan 0.000 0.468 267 D N 6.378 126.951 120.400 0.289 0.000 2.737 267 D HA -0.204 4.436 4.640 0.000 0.000 0.238 267 D C 0.630 177.072 176.300 0.235 0.000 1.157 267 D CA 0.798 54.951 54.000 0.254 0.000 0.694 267 D CB -0.571 40.379 40.800 0.250 0.000 1.021 267 D HN 0.766 nan 8.370 nan 0.000 0.420 268 K N -1.869 118.663 120.400 0.221 0.000 3.363 268 K HA -0.236 4.084 4.320 0.000 0.000 0.313 268 K C 0.553 177.265 176.600 0.186 0.000 1.259 268 K CA 1.156 57.537 56.287 0.157 0.000 0.942 268 K CB -0.856 31.710 32.500 0.110 0.000 1.229 268 K HN 0.529 nan 8.250 nan 0.000 0.440 269 I N 0.963 121.682 120.570 0.248 0.000 2.377 269 I HA 0.092 4.262 4.170 0.000 0.000 0.293 269 I C 0.529 176.792 176.117 0.243 0.000 0.987 269 I CA -0.665 60.744 61.300 0.181 0.000 1.185 269 I CB 1.815 39.810 38.000 -0.009 0.000 1.341 269 I HN -0.015 nan 8.210 nan 0.000 0.455 270 S N 4.720 120.522 115.700 0.170 0.000 2.474 270 S HA 0.190 4.660 4.470 0.000 0.000 0.276 270 S C 1.075 175.645 174.600 -0.051 0.000 1.227 270 S CA -0.712 57.465 58.200 -0.037 0.000 1.050 270 S CB 1.021 64.248 63.200 0.044 0.000 0.939 270 S HN 0.417 nan 8.310 nan 0.000 0.490 271 V N 6.307 126.190 119.914 -0.051 0.000 2.295 271 V HA -0.141 3.979 4.120 0.000 0.000 0.246 271 V C 1.945 178.069 176.094 0.049 0.000 1.049 271 V CA 2.080 64.424 62.300 0.074 0.000 1.024 271 V CB -1.320 30.530 31.823 0.046 0.000 0.648 271 V HN 0.986 nan 8.190 nan 0.000 0.447 272 Y N 1.865 122.081 120.300 -0.139 0.000 2.030 272 Y HA -0.291 4.259 4.550 0.000 0.000 0.274 272 Y C 2.798 178.652 175.900 -0.077 0.000 1.153 272 Y CA 1.707 59.742 58.100 -0.109 0.000 1.115 272 Y CB -0.998 37.383 38.460 -0.132 0.000 0.969 272 Y HN 0.220 nan 8.280 nan 0.000 0.488 273 S N 0.693 116.201 115.700 -0.321 0.000 2.359 273 S HA -0.276 4.194 4.470 0.000 0.000 0.223 273 S C 2.333 176.793 174.600 -0.233 0.000 1.039 273 S CA 1.596 59.572 58.200 -0.374 0.000 1.042 273 S CB -1.128 61.948 63.200 -0.206 0.000 0.915 273 S HN 0.684 nan 8.310 nan 0.000 0.439 274 A N 1.976 124.703 122.820 -0.155 0.000 1.892 274 A HA -0.222 4.098 4.320 0.000 0.000 0.218 274 A C 2.168 179.684 177.584 -0.113 0.000 1.188 274 A CA 1.778 53.723 52.037 -0.153 0.000 0.631 274 A CB -0.593 18.291 19.000 -0.193 0.000 0.822 274 A HN 0.481 nan 8.150 nan 0.000 0.447 275 R N -0.827 119.635 120.500 -0.063 0.000 2.081 275 R HA -0.077 4.263 4.340 0.000 0.000 0.235 275 R C 2.053 178.322 176.300 -0.052 0.000 1.131 275 R CA 1.427 57.514 56.100 -0.021 0.000 0.960 275 R CB -0.669 29.663 30.300 0.052 0.000 0.856 275 R HN 0.421 nan 8.270 nan 0.000 0.436 276 V N 2.201 122.044 119.914 -0.119 0.000 2.332 276 V HA -0.269 3.851 4.120 0.000 0.000 0.248 276 V C 1.684 177.711 176.094 -0.113 0.000 1.055 276 V CA 1.880 64.097 62.300 -0.138 0.000 1.038 276 V CB -0.611 31.050 31.823 -0.271 0.000 0.651 276 V HN 0.339 nan 8.190 nan 0.000 0.450 277 N N -0.003 118.621 118.700 -0.127 0.000 2.149 277 N HA -0.152 4.588 4.740 0.000 0.000 0.188 277 N C 1.755 177.213 175.510 -0.087 0.000 1.019 277 N CA 1.562 54.549 53.050 -0.105 0.000 0.857 277 N CB -0.445 37.974 38.487 -0.113 0.000 0.997 277 N HN 0.455 nan 8.380 nan 0.000 0.426 278 M N -0.000 119.551 119.600 -0.081 0.000 2.159 278 M HA -0.046 4.434 4.480 0.000 0.000 0.263 278 M C 2.200 178.468 176.300 -0.054 0.000 1.063 278 M CA 1.596 56.856 55.300 -0.067 0.000 1.110 278 M CB -0.488 32.081 32.600 -0.052 0.000 1.374 278 M HN 0.201 nan 8.290 nan 0.000 0.411 279 G N -0.378 108.394 108.800 -0.046 0.000 2.408 279 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 279 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 279 G C 1.437 176.310 174.900 -0.045 0.000 1.150 279 G CA 1.425 46.504 45.100 -0.034 0.000 0.776 279 G HN 0.389 nan 8.290 nan 0.000 0.542 280 T N 1.388 115.909 114.554 -0.056 0.000 2.652 280 T HA -0.089 4.261 4.350 0.000 0.000 0.267 280 T C 2.377 177.043 174.700 -0.056 0.000 1.039 280 T CA 1.341 63.408 62.100 -0.055 0.000 1.153 280 T CB -0.128 68.703 68.868 -0.061 0.000 0.863 280 T HN 0.136 nan 8.240 nan 0.000 0.428 281 K N 0.862 121.225 120.400 -0.062 0.000 2.009 281 K HA -0.016 4.304 4.320 0.000 0.000 0.210 281 K C 2.307 178.865 176.600 -0.071 0.000 1.049 281 K CA 0.889 57.137 56.287 -0.064 0.000 0.929 281 K CB -0.964 31.494 32.500 -0.069 0.000 0.714 281 K HN 0.204 nan 8.250 nan 0.000 0.440 282 L N 1.090 122.270 121.223 -0.072 0.000 2.017 282 L HA -0.057 4.283 4.340 0.000 0.000 0.208 282 L C 2.232 179.047 176.870 -0.092 0.000 1.073 282 L CA 2.204 56.991 54.840 -0.088 0.000 0.745 282 L CB -1.222 40.791 42.059 -0.077 0.000 0.894 282 L HN 0.262 nan 8.230 nan 0.000 0.432 283 G N -1.276 107.486 108.800 -0.063 0.000 2.442 283 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 283 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 283 G C 1.479 176.346 174.900 -0.055 0.000 1.141 283 G CA 0.899 45.969 45.100 -0.049 0.000 0.763 283 G HN 0.526 nan 8.290 nan 0.000 0.554 284 E N -0.092 120.073 120.200 -0.057 0.000 2.047 284 E HA -0.083 4.267 4.350 0.000 0.000 0.191 284 E C 2.371 178.930 176.600 -0.068 0.000 0.987 284 E CA 1.009 57.378 56.400 -0.052 0.000 0.799 284 E CB -0.104 29.567 29.700 -0.048 0.000 0.752 284 E HN 0.443 nan 8.360 nan 0.000 0.449 285 K N 1.010 121.354 120.400 -0.092 0.000 2.063 285 K HA -0.175 4.145 4.320 0.000 0.000 0.208 285 K C 2.060 178.557 176.600 -0.171 0.000 1.048 285 K CA 1.245 57.458 56.287 -0.123 0.000 0.928 285 K CB -0.110 32.306 32.500 -0.140 0.000 0.713 285 K HN 0.080 nan 8.250 nan 0.000 0.442 286 I N 0.953 121.406 120.570 -0.195 0.000 2.286 286 I HA -0.255 3.915 4.170 0.000 0.000 0.248 286 I C 2.486 178.562 176.117 -0.069 0.000 1.115 286 I CA 1.154 62.318 61.300 -0.227 0.000 1.392 286 I CB -0.365 37.535 38.000 -0.166 0.000 1.065 286 I HN 0.270 nan 8.210 nan 0.000 0.418 287 A N 0.696 123.492 122.820 -0.040 0.000 1.930 287 A HA -0.225 4.095 4.320 0.000 0.000 0.217 287 A C 2.440 180.024 177.584 0.001 0.000 1.175 287 A CA 1.623 53.658 52.037 -0.003 0.000 0.627 287 A CB -0.564 18.430 19.000 -0.010 0.000 0.815 287 A HN 0.345 nan 8.150 nan 0.000 0.443 288 R N -0.255 120.231 120.500 -0.024 0.000 2.064 288 R HA -0.130 4.210 4.340 0.000 0.000 0.228 288 R C 2.064 178.366 176.300 0.003 0.000 1.144 288 R CA 1.873 57.964 56.100 -0.016 0.000 0.932 288 R CB -0.299 29.980 30.300 -0.034 0.000 0.833 288 R HN 0.625 nan 8.270 nan 0.000 0.429 289 E N -1.142 119.041 120.200 -0.029 0.000 2.112 289 E HA -0.139 4.211 4.350 0.000 0.000 0.190 289 E C 0.467 177.187 176.600 0.199 0.000 0.979 289 E CA 0.581 56.989 56.400 0.013 0.000 0.814 289 E CB 0.133 29.772 29.700 -0.102 0.000 0.762 289 E HN 0.422 nan 8.360 nan 0.000 0.460 290 W N 1.694 122.962 121.300 -0.053 0.000 2.987 290 W HA 0.240 4.900 4.660 0.000 0.000 0.441 290 W C 1.090 177.558 176.519 -0.085 0.000 0.853 290 W CA -1.020 56.272 57.345 -0.089 0.000 2.222 290 W CB -0.387 28.985 29.460 -0.147 0.000 1.139 290 W HN 0.161 nan 8.180 nan 0.000 0.819 291 E N 0.413 120.697 120.200 0.140 0.000 2.049 291 E HA -0.230 4.120 4.350 0.000 0.000 0.198 291 E C 1.251 177.871 176.600 0.034 0.000 1.007 291 E CA 1.923 58.363 56.400 0.067 0.000 0.809 291 E CB 0.331 30.060 29.700 0.049 0.000 0.749 291 E HN -0.011 nan 8.360 nan 0.000 0.450 292 D N 0.072 120.487 120.400 0.024 0.000 2.224 292 D HA -0.036 4.604 4.640 0.000 0.000 0.205 292 D C 0.383 176.663 176.300 -0.034 0.000 0.965 292 D CA 0.335 54.333 54.000 -0.003 0.000 0.852 292 D CB -0.129 40.671 40.800 0.000 0.000 0.947 292 D HN 0.125 nan 8.370 nan 0.000 0.494 293 L N -0.057 121.115 121.223 -0.085 0.000 2.436 293 L HA 0.347 4.688 4.340 0.000 0.000 0.265 293 L C -0.006 176.803 176.870 -0.102 0.000 1.168 293 L CA -0.181 54.577 54.840 -0.138 0.000 0.815 293 L CB 0.521 42.375 42.059 -0.341 0.000 1.109 293 L HN -0.287 nan 8.230 nan 0.000 0.462 294 D N 3.410 123.781 120.400 -0.049 0.000 2.467 294 D HA 0.354 4.994 4.640 0.000 0.000 0.220 294 D C 0.003 176.315 176.300 0.020 0.000 1.103 294 D CA -0.001 53.992 54.000 -0.012 0.000 0.886 294 D CB 1.324 42.130 40.800 0.009 0.000 1.025 294 D HN 0.686 nan 8.370 nan 0.000 0.514 295 I N -1.411 119.157 120.570 -0.003 0.000 2.499 295 I HA 0.327 4.497 4.170 0.000 0.000 0.296 295 I C 0.144 176.283 176.117 0.037 0.000 0.992 295 I CA -0.426 60.904 61.300 0.048 0.000 1.297 295 I CB 1.514 39.532 38.000 0.030 0.000 1.410 295 I HN -0.100 nan 8.210 nan 0.000 0.507 296 D N 3.709 124.132 120.400 0.039 0.000 2.417 296 D HA 0.235 4.875 4.640 0.000 0.000 0.207 296 D C 0.012 176.307 176.300 -0.009 0.000 1.075 296 D CA 0.584 54.590 54.000 0.010 0.000 0.851 296 D CB 1.567 42.367 40.800 0.001 0.000 0.976 296 D HN 0.358 nan 8.370 nan 0.000 0.505 297 V N 0.295 120.204 119.914 -0.008 0.000 3.174 297 V HA 0.241 4.361 4.120 0.000 0.000 0.280 297 V C -1.821 174.258 176.094 -0.025 0.000 1.554 297 V CA -0.773 61.504 62.300 -0.038 0.000 1.016 297 V CB 2.330 34.085 31.823 -0.114 0.000 1.197 297 V HN -0.245 nan 8.190 nan 0.000 0.453 298 V N 6.320 126.223 119.914 -0.018 0.000 2.427 298 V HA 0.617 4.738 4.120 0.000 0.000 0.286 298 V C -0.199 175.828 176.094 -0.111 0.000 1.034 298 V CA -0.327 61.979 62.300 0.010 0.000 0.893 298 V CB 1.525 33.407 31.823 0.099 0.000 0.982 298 V HN 0.646 nan 8.190 nan 0.000 0.452 299 I N 7.313 127.826 120.570 -0.096 0.000 2.468 299 I HA 0.384 4.555 4.170 0.000 0.000 0.285 299 I C -2.439 173.666 176.117 -0.020 0.000 1.039 299 I CA -1.839 59.348 61.300 -0.188 0.000 1.074 299 I CB 2.879 40.719 38.000 -0.266 0.000 1.228 299 I HN 0.449 nan 8.210 nan 0.000 0.436 300 P HA 0.308 nan 4.420 nan 0.000 0.276 300 P C -0.729 176.680 177.300 0.181 0.000 1.244 300 P CA -0.216 62.938 63.100 0.091 0.000 0.801 300 P CB 1.624 33.394 31.700 0.116 0.000 1.006 301 I N 2.687 123.353 120.570 0.159 0.000 2.354 301 I HA 0.253 4.423 4.170 0.000 0.000 0.286 301 I C -2.181 173.975 176.117 0.065 0.000 1.007 301 I CA -2.851 58.529 61.300 0.133 0.000 1.167 301 I CB 1.524 39.544 38.000 0.034 0.000 1.320 301 I HN 0.094 nan 8.210 nan 0.000 0.458 302 P HA -0.066 nan 4.420 nan 0.000 0.264 302 P C 0.144 177.451 177.300 0.013 0.000 1.179 302 P CA 0.382 63.508 63.100 0.044 0.000 0.763 302 P CB 0.855 32.582 31.700 0.045 0.000 0.806 303 E N 0.990 121.201 120.200 0.019 0.000 2.134 303 E HA -0.038 4.312 4.350 0.000 0.000 0.194 303 E C 1.831 178.453 176.600 0.037 0.000 0.937 303 E CA 1.079 57.494 56.400 0.025 0.000 0.874 303 E CB -1.063 28.640 29.700 0.006 0.000 0.853 303 E HN 0.400 nan 8.360 nan 0.000 0.471 304 T N 2.167 116.746 114.554 0.041 0.000 2.701 304 T HA -0.202 4.148 4.350 0.000 0.000 0.265 304 T C 2.032 176.768 174.700 0.061 0.000 1.032 304 T CA 2.015 64.147 62.100 0.054 0.000 1.158 304 T CB -0.420 68.500 68.868 0.087 0.000 0.854 304 T HN 0.026 nan 8.240 nan 0.000 0.463 305 S N 0.542 116.278 115.700 0.061 0.000 2.440 305 S HA -0.133 4.337 4.470 0.000 0.000 0.238 305 S C 2.453 177.124 174.600 0.119 0.000 1.010 305 S CA 0.860 59.107 58.200 0.077 0.000 0.972 305 S CB -0.876 62.367 63.200 0.072 0.000 0.774 305 S HN 0.646 nan 8.310 nan 0.000 0.501 306 C N 2.373 121.751 119.300 0.131 0.000 2.367 306 C HA -0.172 4.288 4.460 0.000 0.000 0.276 306 C C 2.496 177.587 174.990 0.170 0.000 1.195 306 C CA 0.809 59.948 59.018 0.201 0.000 1.756 306 C CB -1.247 26.587 27.740 0.157 0.000 2.046 306 C HN 0.605 nan 8.230 nan 0.000 0.453 307 D N 0.351 120.810 120.400 0.099 0.000 2.178 307 D HA -0.045 4.595 4.640 0.000 0.000 0.202 307 D C 1.972 178.303 176.300 0.051 0.000 0.974 307 D CA 1.109 55.154 54.000 0.076 0.000 0.841 307 D CB -0.295 40.615 40.800 0.184 0.000 0.953 307 D HN 0.536 nan 8.370 nan 0.000 0.478 308 I N 1.582 122.193 120.570 0.068 0.000 2.163 308 I HA -0.232 3.938 4.170 0.000 0.000 0.240 308 I C 2.706 178.856 176.117 0.055 0.000 1.081 308 I CA 0.968 62.293 61.300 0.042 0.000 1.353 308 I CB -0.365 37.659 38.000 0.041 0.000 1.054 308 I HN -0.097 nan 8.210 nan 0.000 0.407 309 A N 0.938 123.828 122.820 0.117 0.000 1.908 309 A HA -0.249 4.071 4.320 0.000 0.000 0.218 309 A C 2.285 179.977 177.584 0.179 0.000 1.181 309 A CA 1.729 53.872 52.037 0.177 0.000 0.627 309 A CB -0.934 18.226 19.000 0.266 0.000 0.818 309 A HN 0.404 nan 8.150 nan 0.000 0.445 310 L N -0.089 121.170 121.223 0.060 0.000 2.043 310 L HA -0.202 4.138 4.340 0.000 0.000 0.212 310 L C 2.272 179.071 176.870 -0.118 0.000 1.075 310 L CA 2.870 57.541 54.840 -0.281 0.000 0.752 310 L CB -0.644 41.109 42.059 -0.510 0.000 0.891 310 L HN 0.500 nan 8.230 nan 0.000 0.432 311 E N -0.168 119.995 120.200 -0.062 0.000 2.077 311 E HA -0.189 4.161 4.350 0.000 0.000 0.193 311 E C 2.089 178.675 176.600 -0.023 0.000 0.989 311 E CA 1.816 58.188 56.400 -0.048 0.000 0.800 311 E CB -0.358 29.315 29.700 -0.045 0.000 0.746 311 E HN 0.640 nan 8.360 nan 0.000 0.452 312 I N 0.200 120.773 120.570 0.004 0.000 2.252 312 I HA -0.222 3.948 4.170 0.000 0.000 0.245 312 I C 2.354 178.488 176.117 0.028 0.000 1.102 312 I CA 0.934 62.242 61.300 0.014 0.000 1.385 312 I CB -0.461 37.558 38.000 0.031 0.000 1.064 312 I HN 0.167 nan 8.210 nan 0.000 0.414 313 A N 0.781 123.634 122.820 0.056 0.000 1.902 313 A HA -0.233 4.087 4.320 0.000 0.000 0.217 313 A C 2.481 180.081 177.584 0.027 0.000 1.181 313 A CA 1.524 53.602 52.037 0.069 0.000 0.623 313 A CB -0.613 18.470 19.000 0.138 0.000 0.818 313 A HN 0.299 nan 8.150 nan 0.000 0.443 314 R N -0.437 120.062 120.500 -0.003 0.000 2.070 314 R HA -0.110 4.230 4.340 0.000 0.000 0.233 314 R C 2.002 178.295 176.300 -0.011 0.000 1.137 314 R CA 1.725 57.815 56.100 -0.017 0.000 0.945 314 R CB -0.354 29.924 30.300 -0.038 0.000 0.845 314 R HN 0.477 nan 8.270 nan 0.000 0.430 315 I N 1.359 121.922 120.570 -0.013 0.000 2.163 315 I HA -0.282 3.888 4.170 0.000 0.000 0.243 315 I C 2.297 178.412 176.117 -0.004 0.000 1.085 315 I CA 1.392 62.684 61.300 -0.013 0.000 1.347 315 I CB -0.962 37.026 38.000 -0.020 0.000 1.044 315 I HN 0.288 nan 8.210 nan 0.000 0.408 316 L N 0.497 121.723 121.223 0.005 0.000 2.465 316 L HA 0.025 4.365 4.340 0.000 0.000 0.224 316 L C 1.422 178.300 176.870 0.012 0.000 1.145 316 L CA 0.666 55.514 54.840 0.013 0.000 0.834 316 L CB -0.833 41.242 42.059 0.026 0.000 0.944 316 L HN 0.516 nan 8.230 nan 0.000 0.451 317 G N 0.967 109.773 108.800 0.010 0.000 2.273 317 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 317 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 317 G C 0.074 174.982 174.900 0.014 0.000 1.047 317 G CA 0.208 45.313 45.100 0.008 0.000 0.869 317 G HN 0.222 nan 8.290 nan 0.000 0.502 318 K N -0.035 120.379 120.400 0.023 0.000 2.340 318 K HA 0.570 4.890 4.320 0.000 0.000 0.244 318 K C -2.306 174.319 176.600 0.042 0.000 0.973 318 K CA -1.962 54.342 56.287 0.027 0.000 0.828 318 K CB 2.442 34.960 32.500 0.029 0.000 1.226 318 K HN 0.097 nan 8.250 nan 0.000 0.437 319 P HA 0.053 nan 4.420 nan 0.000 0.272 319 P C -1.068 176.289 177.300 0.095 0.000 1.223 319 P CA -0.088 63.044 63.100 0.054 0.000 0.784 319 P CB 0.387 32.097 31.700 0.016 0.000 0.923 320 Y N 3.108 123.387 120.300 -0.036 0.000 2.328 320 Y HA 0.479 5.029 4.550 0.000 0.000 0.337 320 Y C -0.489 175.377 175.900 -0.058 0.000 0.966 320 Y CA -0.780 57.296 58.100 -0.040 0.000 1.136 320 Y CB 1.196 39.642 38.460 -0.023 0.000 1.170 320 Y HN 0.210 nan 8.280 nan 0.000 0.470 321 R N 4.780 125.033 120.500 -0.412 0.000 2.686 321 R HA 0.199 4.539 4.340 0.000 0.000 0.283 321 R C -1.194 174.764 176.300 -0.571 0.000 0.978 321 R CA -0.981 54.889 56.100 -0.384 0.000 0.897 321 R CB 1.992 32.124 30.300 -0.281 0.000 1.192 321 R HN 0.840 nan 8.270 nan 0.000 0.457 322 Q N 1.644 121.207 119.800 -0.395 0.000 2.452 322 Q HA 0.167 4.507 4.340 0.000 0.000 0.230 322 Q C 0.326 176.164 176.000 -0.270 0.000 1.180 322 Q CA 0.057 55.680 55.803 -0.300 0.000 0.914 322 Q CB 0.494 29.157 28.738 -0.126 0.000 1.408 322 Q HN 0.876 nan 8.270 nan 0.000 0.520 323 G N 3.480 112.047 108.800 -0.389 0.000 2.539 323 G HA2 -0.009 3.951 3.960 0.000 0.000 0.215 323 G HA3 -0.009 3.951 3.960 0.000 0.000 0.215 323 G C -0.104 174.612 174.900 -0.307 0.000 1.141 323 G CA 0.050 44.831 45.100 -0.532 0.000 0.806 323 G HN 0.487 nan 8.290 nan 0.000 0.533 324 F N 0.017 120.011 119.950 0.074 0.000 2.495 324 F HA 0.634 5.161 4.527 0.000 0.000 0.327 324 F C -0.310 175.511 175.800 0.036 0.000 1.103 324 F CA -1.469 56.587 58.000 0.093 0.000 0.949 324 F CB 2.456 41.509 39.000 0.089 0.000 1.142 324 F HN -0.263 nan 8.300 nan 0.000 0.457 325 V N 2.952 123.018 119.914 0.253 0.000 2.540 325 V HA 0.372 4.492 4.120 0.000 0.000 0.302 325 V C -0.271 175.891 176.094 0.113 0.000 1.035 325 V CA -1.277 61.104 62.300 0.135 0.000 0.873 325 V CB 1.796 33.676 31.823 0.096 0.000 0.992 325 V HN 0.652 nan 8.190 nan 0.000 0.428 326 K N 3.571 124.011 120.400 0.066 0.000 2.205 326 K HA 0.282 4.602 4.320 0.000 0.000 0.279 326 K C 0.022 176.630 176.600 0.014 0.000 1.027 326 K CA -0.467 55.836 56.287 0.027 0.000 0.932 326 K CB 0.559 33.060 32.500 0.002 0.000 1.032 326 K HN 0.635 nan 8.250 nan 0.000 0.466 327 N N 4.243 122.951 118.700 0.012 0.000 2.421 327 N HA -0.008 4.732 4.740 0.000 0.000 0.260 327 N C 0.590 176.083 175.510 -0.028 0.000 1.173 327 N CA 0.158 53.222 53.050 0.023 0.000 0.960 327 N CB 0.945 39.457 38.487 0.042 0.000 1.273 327 N HN 0.622 nan 8.380 nan 0.000 0.497 328 R N 2.177 122.613 120.500 -0.106 0.000 2.159 328 R HA -0.124 4.216 4.340 0.000 0.000 0.237 328 R C -0.413 175.638 176.300 -0.415 0.000 1.131 328 R CA 1.282 57.195 56.100 -0.312 0.000 0.982 328 R CB 0.131 30.126 30.300 -0.509 0.000 0.868 328 R HN 0.413 nan 8.270 nan 0.000 0.453 329 Y N 0.733 121.042 120.300 0.015 0.000 2.478 329 Y HA 0.251 4.801 4.550 0.000 0.000 0.329 329 Y C -0.338 175.568 175.900 0.010 0.000 0.967 329 Y CA -1.187 56.922 58.100 0.014 0.000 1.255 329 Y CB 1.635 40.106 38.460 0.019 0.000 1.103 329 Y HN -0.180 nan 8.280 nan 0.000 0.497 330 V N 0.861 120.842 119.914 0.112 0.000 2.394 330 V HA 0.963 5.083 4.120 0.000 0.000 0.282 330 V C 0.432 176.559 176.094 0.055 0.000 1.031 330 V CA -0.534 61.802 62.300 0.060 0.000 0.881 330 V CB 0.933 32.765 31.823 0.016 0.000 0.982 330 V HN 0.760 nan 8.190 nan 0.000 0.451 331 G N 3.959 112.782 108.800 0.039 0.000 2.537 331 G HA2 0.542 4.502 3.960 0.000 0.000 0.297 331 G HA3 0.542 4.502 3.960 0.000 0.000 0.297 331 G C -0.480 174.380 174.900 -0.068 0.000 1.310 331 G CA -1.101 44.009 45.100 0.018 0.000 1.027 331 G HN 1.022 nan 8.290 nan 0.000 0.505 332 R N -1.130 119.274 120.500 -0.161 0.000 2.457 332 R HA 0.461 4.801 4.340 0.000 0.000 0.284 332 R C -0.816 175.168 176.300 -0.528 0.000 1.024 332 R CA -0.308 55.552 56.100 -0.401 0.000 1.025 332 R CB 0.788 30.706 30.300 -0.636 0.000 1.063 332 R HN 0.388 nan 8.270 nan 0.000 0.493 333 T N 5.055 119.346 114.554 -0.439 0.000 2.770 333 T HA 0.322 4.672 4.350 0.000 0.000 0.297 333 T C -0.726 173.763 174.700 -0.352 0.000 0.997 333 T CA -0.286 61.648 62.100 -0.277 0.000 0.949 333 T CB 0.064 68.859 68.868 -0.121 0.000 0.941 333 T HN 0.298 nan 8.240 nan 0.000 0.457 334 F N 3.495 123.445 119.950 -0.002 0.000 2.420 334 F HA 0.383 4.910 4.527 -0.000 0.000 0.352 334 F C 1.190 176.988 175.800 -0.004 0.000 1.108 334 F CA -1.577 56.422 58.000 -0.003 0.000 1.162 334 F CB 0.272 39.271 39.000 -0.002 0.000 1.118 334 F HN 0.467 nan 8.300 nan 0.000 0.510 335 I N 2.916 123.567 120.570 0.135 0.000 2.406 335 I HA 0.240 4.410 4.170 0.000 0.000 0.293 335 I C -0.493 175.678 176.117 0.090 0.000 1.101 335 I CA 0.059 61.407 61.300 0.080 0.000 1.334 335 I CB 0.024 38.049 38.000 0.042 0.000 1.421 335 I HN 0.415 nan 8.210 nan 0.000 0.513 336 M N 7.325 126.970 119.600 0.075 0.000 2.383 336 M HA 0.416 4.897 4.480 0.000 0.000 0.325 336 M C -2.428 173.891 176.300 0.032 0.000 1.092 336 M CA -1.873 53.458 55.300 0.052 0.000 0.961 336 M CB 1.660 34.290 32.600 0.051 0.000 1.672 336 M HN 0.230 nan 8.290 nan 0.000 0.438 337 P HA 0.114 nan 4.420 nan 0.000 0.245 337 P C 0.193 177.500 177.300 0.012 0.000 1.347 337 P CA 0.951 64.060 63.100 0.014 0.000 1.314 337 P CB -0.463 31.242 31.700 0.009 0.000 1.679 338 G N 2.536 111.343 108.800 0.013 0.000 3.030 338 G HA2 -0.199 3.761 3.960 0.000 0.000 0.233 338 G HA3 -0.199 3.761 3.960 0.000 0.000 0.233 338 G C 0.080 174.988 174.900 0.013 0.000 1.091 338 G CA -0.791 44.315 45.100 0.010 0.000 1.113 338 G HN 0.442 nan 8.290 nan 0.000 0.556 339 Q N 1.015 120.824 119.800 0.016 0.000 2.600 339 Q HA 0.087 4.427 4.340 0.000 0.000 0.276 339 Q C 2.022 178.030 176.000 0.014 0.000 1.006 339 Q CA -0.029 55.786 55.803 0.020 0.000 0.942 339 Q CB 0.066 28.819 28.738 0.024 0.000 1.383 339 Q HN 0.677 nan 8.270 nan 0.000 0.414 340 Q N -0.084 119.723 119.800 0.011 0.000 2.466 340 Q HA -0.272 4.068 4.340 0.000 0.000 0.255 340 Q C 0.515 176.519 176.000 0.006 0.000 1.063 340 Q CA 1.539 57.346 55.803 0.007 0.000 0.982 340 Q CB -0.702 28.040 28.738 0.007 0.000 0.951 340 Q HN 0.379 nan 8.270 nan 0.000 0.556 341 L N 1.696 122.924 121.223 0.008 0.000 2.435 341 L HA 0.272 4.613 4.340 0.000 0.000 0.253 341 L C -0.308 176.567 176.870 0.009 0.000 1.087 341 L CA 0.038 54.881 54.840 0.006 0.000 0.950 341 L CB 0.612 42.674 42.059 0.005 0.000 1.304 341 L HN 0.180 nan 8.230 nan 0.000 0.453 342 R N 1.581 122.086 120.500 0.008 0.000 2.784 342 R HA 0.233 4.573 4.340 0.000 0.000 0.266 342 R C 0.259 176.563 176.300 0.006 0.000 1.044 342 R CA -0.254 55.852 56.100 0.009 0.000 1.151 342 R CB 0.452 30.756 30.300 0.006 0.000 1.037 342 R HN 0.450 nan 8.270 nan 0.000 0.478 343 R N 1.917 122.422 120.500 0.008 0.000 2.357 343 R HA 0.079 4.419 4.340 0.000 0.000 0.296 343 R C -0.601 175.697 176.300 -0.003 0.000 1.052 343 R CA -0.399 55.704 56.100 0.005 0.000 0.988 343 R CB 0.711 31.018 30.300 0.011 0.000 1.025 343 R HN 0.443 nan 8.270 nan 0.000 0.469 344 K N 2.265 122.661 120.400 -0.007 0.000 2.472 344 K HA -0.080 4.240 4.320 0.000 0.000 0.280 344 K C 1.088 177.677 176.600 -0.019 0.000 1.028 344 K CA 0.098 56.376 56.287 -0.015 0.000 1.045 344 K CB 0.948 33.437 32.500 -0.018 0.000 0.902 344 K HN 0.642 nan 8.250 nan 0.000 0.478 345 S N 2.661 118.348 115.700 -0.023 0.000 2.372 345 S HA -0.176 4.294 4.470 0.000 0.000 0.227 345 S C 1.833 176.412 174.600 -0.035 0.000 1.044 345 S CA 1.731 59.915 58.200 -0.028 0.000 1.050 345 S CB -0.022 63.160 63.200 -0.030 0.000 0.901 345 S HN 0.548 nan 8.310 nan 0.000 0.447 346 V N 2.622 122.510 119.914 -0.044 0.000 2.332 346 V HA -0.158 3.963 4.120 0.000 0.000 0.248 346 V C 2.447 178.507 176.094 -0.057 0.000 1.055 346 V CA 1.964 64.226 62.300 -0.063 0.000 1.038 346 V CB -0.587 31.189 31.823 -0.078 0.000 0.651 346 V HN 0.475 nan 8.190 nan 0.000 0.450 347 R N -0.474 120.005 120.500 -0.035 0.000 2.241 347 R HA -0.085 4.255 4.340 0.000 0.000 0.224 347 R C 2.321 178.617 176.300 -0.007 0.000 1.101 347 R CA 0.925 57.016 56.100 -0.015 0.000 0.995 347 R CB -0.619 29.678 30.300 -0.004 0.000 0.870 347 R HN 0.528 nan 8.270 nan 0.000 0.463 348 R N 0.656 121.148 120.500 -0.014 0.000 2.096 348 R HA -0.077 4.263 4.340 0.000 0.000 0.235 348 R C 1.799 178.094 176.300 -0.008 0.000 1.127 348 R CA 1.176 57.271 56.100 -0.007 0.000 0.968 348 R CB 0.182 30.472 30.300 -0.016 0.000 0.861 348 R HN -0.008 nan 8.270 nan 0.000 0.440 349 K N -0.132 120.252 120.400 -0.026 0.000 2.078 349 K HA 0.124 4.444 4.320 0.000 0.000 0.203 349 K C 1.001 177.582 176.600 -0.032 0.000 1.043 349 K CA 0.896 57.163 56.287 -0.034 0.000 0.960 349 K CB 0.039 32.505 32.500 -0.056 0.000 0.761 349 K HN 0.086 nan 8.250 nan 0.000 0.448 350 L N 0.124 121.318 121.223 -0.048 0.000 2.279 350 L HA 0.413 4.753 4.340 0.000 0.000 0.262 350 L C -0.561 176.334 176.870 0.042 0.000 1.019 350 L CA -1.148 53.679 54.840 -0.022 0.000 0.823 350 L CB 1.586 43.557 42.059 -0.147 0.000 1.358 350 L HN -0.060 nan 8.230 nan 0.000 0.432 351 N N 0.095 118.874 118.700 0.131 0.000 2.249 351 N HA 0.671 5.411 4.740 0.000 0.000 0.296 351 N C -1.382 174.296 175.510 0.280 0.000 1.051 351 N CA -0.313 52.829 53.050 0.153 0.000 0.815 351 N CB 2.196 40.746 38.487 0.105 0.000 1.487 351 N HN 0.745 nan 8.380 nan 0.000 0.475 352 A N 2.533 125.498 122.820 0.241 0.000 2.290 352 A HA 0.374 4.694 4.320 0.000 0.000 0.310 352 A C -0.333 177.342 177.584 0.150 0.000 1.202 352 A CA -0.665 51.509 52.037 0.229 0.000 0.837 352 A CB 0.295 19.329 19.000 0.058 0.000 1.139 352 A HN 0.722 nan 8.150 nan 0.000 0.509 353 N N 2.288 121.089 118.700 0.168 0.000 2.482 353 N HA 0.063 4.803 4.740 0.000 0.000 0.242 353 N C 1.118 176.725 175.510 0.161 0.000 1.100 353 N CA -0.075 53.036 53.050 0.101 0.000 0.946 353 N CB 0.139 38.638 38.487 0.019 0.000 1.227 353 N HN 0.708 nan 8.380 nan 0.000 0.508 354 R N 2.338 122.913 120.500 0.125 0.000 2.159 354 R HA -0.252 4.088 4.340 0.000 0.000 0.252 354 R C 1.755 178.130 176.300 0.124 0.000 1.144 354 R CA 2.326 58.503 56.100 0.128 0.000 0.961 354 R CB -0.318 30.016 30.300 0.056 0.000 0.877 354 R HN 0.639 nan 8.270 nan 0.000 0.444 355 A N 0.867 123.718 122.820 0.052 0.000 2.024 355 A HA -0.174 4.146 4.320 0.000 0.000 0.220 355 A C 1.605 179.161 177.584 -0.047 0.000 1.164 355 A CA 1.470 53.510 52.037 0.004 0.000 0.643 355 A CB -0.201 18.791 19.000 -0.014 0.000 0.806 355 A HN 0.210 nan 8.150 nan 0.000 0.451 356 E N -1.467 118.667 120.200 -0.110 0.000 2.442 356 E HA 0.061 4.411 4.350 0.000 0.000 0.195 356 E C 0.860 177.155 176.600 -0.508 0.000 1.030 356 E CA 0.494 56.683 56.400 -0.352 0.000 0.869 356 E CB -0.173 29.196 29.700 -0.551 0.000 0.857 356 E HN 0.778 nan 8.360 nan 0.000 0.505 357 F N 0.190 120.068 119.950 -0.120 0.000 2.602 357 F HA 0.227 4.754 4.527 0.000 0.000 0.284 357 F C 1.000 176.759 175.800 -0.068 0.000 1.111 357 F CA -0.466 57.471 58.000 -0.105 0.000 1.405 357 F CB 0.071 39.000 39.000 -0.119 0.000 1.121 357 F HN -0.326 nan 8.300 nan 0.000 0.603 358 R N 2.803 123.378 120.500 0.125 0.000 2.730 358 R HA -0.160 4.180 4.340 0.000 0.000 0.327 358 R C -0.232 176.086 176.300 0.031 0.000 0.825 358 R CA 0.961 57.097 56.100 0.059 0.000 1.130 358 R CB -0.630 29.690 30.300 0.033 0.000 0.883 358 R HN 0.325 nan 8.270 nan 0.000 0.407 359 D N 1.393 121.810 120.400 0.028 0.000 2.911 359 D HA -0.174 4.466 4.640 0.000 0.000 0.227 359 D C -0.668 175.639 176.300 0.012 0.000 1.164 359 D CA 1.433 55.442 54.000 0.014 0.000 0.782 359 D CB -0.266 40.538 40.800 0.006 0.000 1.094 359 D HN 0.490 nan 8.370 nan 0.000 0.425 360 K N 0.787 121.199 120.400 0.021 0.000 2.292 360 K HA 0.342 4.662 4.320 0.000 0.000 0.257 360 K C -0.025 176.593 176.600 0.030 0.000 0.940 360 K CA -0.832 55.461 56.287 0.011 0.000 0.811 360 K CB 1.191 33.675 32.500 -0.026 0.000 1.120 360 K HN -0.147 nan 8.250 nan 0.000 0.428 361 N N 2.030 120.754 118.700 0.040 0.000 2.402 361 N HA 0.073 4.813 4.740 0.000 0.000 0.252 361 N C -0.099 175.478 175.510 0.112 0.000 1.118 361 N CA -0.211 52.884 53.050 0.074 0.000 0.945 361 N CB 0.647 39.216 38.487 0.137 0.000 1.147 361 N HN 0.396 nan 8.380 nan 0.000 0.495 362 V N 0.491 120.468 119.914 0.105 0.000 2.713 362 V HA 0.642 4.762 4.120 0.000 0.000 0.307 362 V C -0.209 176.013 176.094 0.214 0.000 1.052 362 V CA -1.031 61.335 62.300 0.111 0.000 0.967 362 V CB 1.652 33.519 31.823 0.074 0.000 1.019 362 V HN 0.366 nan 8.190 nan 0.000 0.459 363 L N 4.610 125.941 121.223 0.179 0.000 2.319 363 L HA 0.645 4.985 4.340 0.000 0.000 0.281 363 L C -0.696 176.277 176.870 0.171 0.000 1.005 363 L CA -0.221 54.760 54.840 0.235 0.000 0.828 363 L CB 1.008 43.193 42.059 0.209 0.000 1.227 363 L HN 0.773 nan 8.230 nan 0.000 0.415 364 L N 5.457 126.801 121.223 0.202 0.000 2.357 364 L HA 0.679 5.019 4.340 0.000 0.000 0.273 364 L C -0.581 176.376 176.870 0.145 0.000 1.080 364 L CA -0.949 54.005 54.840 0.190 0.000 0.803 364 L CB 1.716 43.924 42.059 0.248 0.000 1.174 364 L HN 0.306 nan 8.230 nan 0.000 0.443 365 V N 1.146 121.132 119.914 0.120 0.000 2.444 365 V HA 0.433 4.553 4.120 0.000 0.000 0.294 365 V C -0.868 175.264 176.094 0.062 0.000 1.022 365 V CA -0.458 61.889 62.300 0.079 0.000 0.850 365 V CB 1.875 33.748 31.823 0.084 0.000 0.992 365 V HN 0.672 nan 8.190 nan 0.000 0.426 366 D N 2.034 122.447 120.400 0.022 0.000 2.527 366 D HA 0.294 4.934 4.640 0.000 0.000 0.233 366 D C 0.715 177.005 176.300 -0.017 0.000 1.063 366 D CA -0.445 53.555 54.000 -0.001 0.000 0.880 366 D CB 2.442 43.230 40.800 -0.020 0.000 1.457 366 D HN 0.657 nan 8.370 nan 0.000 0.475 367 D N 0.555 120.933 120.400 -0.036 0.000 2.144 367 D HA -0.099 4.541 4.640 0.000 0.000 0.199 367 D C 0.215 176.484 176.300 -0.052 0.000 0.984 367 D CA 0.587 54.559 54.000 -0.046 0.000 0.834 367 D CB 0.135 40.890 40.800 -0.075 0.000 0.955 367 D HN 0.279 nan 8.370 nan 0.000 0.465 368 S N -0.949 114.705 115.700 -0.076 0.000 2.587 368 S HA 0.593 5.063 4.470 0.000 0.000 0.269 368 S C -1.150 173.468 174.600 0.030 0.000 1.154 368 S CA -1.083 57.127 58.200 0.016 0.000 0.824 368 S CB 1.456 64.645 63.200 -0.017 0.000 1.118 368 S HN 0.134 nan 8.310 nan 0.000 0.462 369 I N 2.157 122.811 120.570 0.140 0.000 2.439 369 I HA 0.401 4.571 4.170 0.000 0.000 0.283 369 I C 0.053 176.262 176.117 0.152 0.000 1.023 369 I CA -0.607 60.772 61.300 0.131 0.000 1.100 369 I CB 1.783 39.898 38.000 0.192 0.000 1.238 369 I HN 0.596 nan 8.210 nan 0.000 0.445 370 V N 5.595 125.565 119.914 0.093 0.000 2.785 370 V HA 0.122 4.242 4.120 0.000 0.000 0.226 370 V C 2.021 178.149 176.094 0.057 0.000 1.127 370 V CA 0.634 62.984 62.300 0.083 0.000 1.193 370 V CB -0.272 31.598 31.823 0.077 0.000 0.926 370 V HN 0.677 nan 8.190 nan 0.000 0.507 371 R N -0.043 120.481 120.500 0.039 0.000 2.062 371 R HA 0.205 4.545 4.340 0.000 0.000 0.226 371 R C 1.822 178.140 176.300 0.030 0.000 1.125 371 R CA 1.217 57.332 56.100 0.025 0.000 0.966 371 R CB -0.238 30.069 30.300 0.012 0.000 0.861 371 R HN 0.699 nan 8.270 nan 0.000 0.433 372 G N -0.647 108.172 108.800 0.031 0.000 2.254 372 G HA2 -0.291 3.669 3.960 0.000 0.000 0.225 372 G HA3 -0.291 3.669 3.960 0.000 0.000 0.225 372 G C 1.065 175.974 174.900 0.014 0.000 1.003 372 G CA 0.528 45.649 45.100 0.034 0.000 0.622 372 G HN 0.339 nan 8.290 nan 0.000 0.507 373 T N 1.644 116.200 114.554 0.004 0.000 2.708 373 T HA -0.090 4.260 4.350 0.000 0.000 0.266 373 T C 2.559 177.248 174.700 -0.018 0.000 1.037 373 T CA 2.605 64.701 62.100 -0.007 0.000 1.146 373 T CB -0.741 68.121 68.868 -0.010 0.000 0.865 373 T HN 0.584 nan 8.240 nan 0.000 0.435 374 T N 2.321 116.862 114.554 -0.022 0.000 2.652 374 T HA -0.139 4.211 4.350 0.000 0.000 0.267 374 T C 2.425 177.096 174.700 -0.049 0.000 1.039 374 T CA 1.592 63.667 62.100 -0.041 0.000 1.153 374 T CB -0.716 68.127 68.868 -0.040 0.000 0.863 374 T HN 0.327 nan 8.240 nan 0.000 0.428 375 S N 1.124 116.807 115.700 -0.029 0.000 2.365 375 S HA -0.198 4.272 4.470 0.000 0.000 0.225 375 S C 2.058 176.645 174.600 -0.022 0.000 1.039 375 S CA 1.444 59.629 58.200 -0.024 0.000 1.033 375 S CB -0.471 62.731 63.200 0.003 0.000 0.887 375 S HN 0.605 nan 8.310 nan 0.000 0.447 376 E N 0.938 121.130 120.200 -0.013 0.000 2.097 376 E HA -0.257 4.093 4.350 0.000 0.000 0.196 376 E C 2.160 178.743 176.600 -0.028 0.000 1.000 376 E CA 1.351 57.743 56.400 -0.013 0.000 0.804 376 E CB -0.113 29.582 29.700 -0.008 0.000 0.740 376 E HN 0.605 nan 8.360 nan 0.000 0.454 377 Q N -0.069 119.707 119.800 -0.041 0.000 2.123 377 Q HA -0.086 4.254 4.340 0.000 0.000 0.199 377 Q C 2.349 178.305 176.000 -0.075 0.000 0.966 377 Q CA 1.145 56.916 55.803 -0.054 0.000 0.845 377 Q CB -0.000 28.703 28.738 -0.058 0.000 0.907 377 Q HN 0.398 nan 8.270 nan 0.000 0.439 378 I N 0.525 121.036 120.570 -0.099 0.000 2.286 378 I HA -0.280 3.890 4.170 0.000 0.000 0.248 378 I C 2.095 178.190 176.117 -0.036 0.000 1.115 378 I CA 1.126 62.334 61.300 -0.152 0.000 1.392 378 I CB -0.263 37.605 38.000 -0.220 0.000 1.065 378 I HN 0.215 nan 8.210 nan 0.000 0.418 379 I N 0.600 121.162 120.570 -0.014 0.000 2.179 379 I HA -0.295 3.875 4.170 0.000 0.000 0.242 379 I C 2.646 178.750 176.117 -0.023 0.000 1.088 379 I CA 1.482 62.788 61.300 0.009 0.000 1.357 379 I CB -0.437 37.561 38.000 -0.002 0.000 1.051 379 I HN 0.275 nan 8.210 nan 0.000 0.409 380 E N 1.113 121.291 120.200 -0.038 0.000 2.085 380 E HA -0.307 4.043 4.350 0.000 0.000 0.194 380 E C 2.341 178.900 176.600 -0.068 0.000 0.994 380 E CA 1.588 57.958 56.400 -0.049 0.000 0.801 380 E CB -0.103 29.571 29.700 -0.044 0.000 0.743 380 E HN 0.377 nan 8.360 nan 0.000 0.453 381 M N 0.035 119.596 119.600 -0.066 0.000 2.149 381 M HA -0.176 4.304 4.480 0.000 0.000 0.261 381 M C 2.166 178.354 176.300 -0.188 0.000 1.064 381 M CA 1.777 57.029 55.300 -0.080 0.000 1.102 381 M CB -0.057 32.523 32.600 -0.033 0.000 1.369 381 M HN 0.245 nan 8.290 nan 0.000 0.408 382 A N 0.758 123.464 122.820 -0.190 0.000 1.898 382 A HA -0.169 4.151 4.320 0.000 0.000 0.216 382 A C 2.032 179.433 177.584 -0.306 0.000 1.181 382 A CA 1.618 53.375 52.037 -0.467 0.000 0.620 382 A CB -0.603 18.320 19.000 -0.128 0.000 0.819 382 A HN 0.606 nan 8.150 nan 0.000 0.442 383 R N -0.193 120.218 120.500 -0.149 0.000 2.092 383 R HA -0.100 4.241 4.340 0.000 0.000 0.231 383 R C 1.962 178.201 176.300 -0.102 0.000 1.119 383 R CA 1.371 57.412 56.100 -0.098 0.000 0.970 383 R CB -0.412 29.845 30.300 -0.072 0.000 0.864 383 R HN 0.644 nan 8.270 nan 0.000 0.440 384 E N 1.113 121.243 120.200 -0.116 0.000 2.110 384 E HA -0.149 4.201 4.350 0.000 0.000 0.193 384 E C 1.897 178.433 176.600 -0.107 0.000 0.988 384 E CA 1.182 57.525 56.400 -0.094 0.000 0.804 384 E CB -0.076 29.573 29.700 -0.086 0.000 0.745 384 E HN 0.377 nan 8.360 nan 0.000 0.458 385 A N -0.011 122.693 122.820 -0.194 0.000 2.209 385 A HA 0.122 4.442 4.320 0.000 0.000 0.212 385 A C 1.676 179.234 177.584 -0.042 0.000 1.158 385 A CA 1.088 53.018 52.037 -0.179 0.000 0.742 385 A CB -0.218 18.486 19.000 -0.493 0.000 0.790 385 A HN 0.375 nan 8.150 nan 0.000 0.472 386 G N -2.639 106.137 108.800 -0.041 0.000 2.154 386 G HA2 0.187 4.147 3.960 0.000 0.000 0.186 386 G HA3 0.187 4.147 3.960 0.000 0.000 0.186 386 G C 0.254 175.179 174.900 0.041 0.000 1.000 386 G CA 0.041 45.148 45.100 0.011 0.000 0.664 386 G HN 1.487 nan 8.290 nan 0.000 0.513 387 A N 0.348 123.197 122.820 0.049 0.000 2.409 387 A HA 0.692 5.012 4.320 0.000 0.000 0.262 387 A C 1.310 178.895 177.584 0.002 0.000 1.113 387 A CA 0.849 52.932 52.037 0.077 0.000 0.790 387 A CB 0.456 19.542 19.000 0.144 0.000 1.046 387 A HN 0.340 nan 8.150 nan 0.000 0.496 388 K N 1.474 121.870 120.400 -0.007 0.000 1.974 388 K HA -0.002 4.318 4.320 0.000 0.000 0.211 388 K C 0.135 176.678 176.600 -0.095 0.000 1.039 388 K CA 0.870 57.134 56.287 -0.040 0.000 0.947 388 K CB -0.172 32.313 32.500 -0.026 0.000 0.735 388 K HN 0.516 nan 8.250 nan 0.000 0.441 389 K N 1.741 122.062 120.400 -0.132 0.000 2.156 389 K HA 0.315 4.635 4.320 0.000 0.000 0.271 389 K C -0.740 175.639 176.600 -0.368 0.000 0.995 389 K CA -0.382 55.703 56.287 -0.337 0.000 0.890 389 K CB 2.062 34.309 32.500 -0.422 0.000 1.073 389 K HN -0.107 nan 8.250 nan 0.000 0.454 390 V N 4.644 124.280 119.914 -0.464 0.000 2.409 390 V HA 0.308 4.428 4.120 0.000 0.000 0.290 390 V C -1.181 174.703 176.094 -0.349 0.000 1.017 390 V CA -0.920 61.230 62.300 -0.250 0.000 0.841 390 V CB 0.521 32.289 31.823 -0.091 0.000 1.003 390 V HN 0.547 nan 8.190 nan 0.000 0.426 391 Y N 4.632 124.938 120.300 0.010 0.000 2.446 391 Y HA 0.763 5.313 4.550 0.000 0.000 0.338 391 Y C -0.174 175.799 175.900 0.122 0.000 1.055 391 Y CA -1.012 57.093 58.100 0.009 0.000 1.101 391 Y CB 1.920 40.328 38.460 -0.088 0.000 1.221 391 Y HN 0.543 nan 8.280 nan 0.000 0.460 392 L N 2.458 123.875 121.223 0.323 0.000 2.365 392 L HA 0.951 5.291 4.340 0.000 0.000 0.273 392 L C -1.053 175.924 176.870 0.178 0.000 1.000 392 L CA -0.726 54.236 54.840 0.202 0.000 0.819 392 L CB 1.599 43.710 42.059 0.086 0.000 1.284 392 L HN 0.686 nan 8.230 nan 0.000 0.418 393 A N 2.862 125.721 122.820 0.064 0.000 2.359 393 A HA 0.722 5.042 4.320 0.000 0.000 0.303 393 A C -0.963 176.548 177.584 -0.122 0.000 1.066 393 A CA -0.429 51.566 52.037 -0.070 0.000 0.730 393 A CB 1.471 20.451 19.000 -0.033 0.000 1.211 393 A HN 0.703 nan 8.150 nan 0.000 0.439 394 S N 1.708 117.264 115.700 -0.240 0.000 2.462 394 S HA 0.531 5.001 4.470 0.000 0.000 0.294 394 S C 1.106 175.676 174.600 -0.050 0.000 1.144 394 S CA 0.090 58.195 58.200 -0.158 0.000 1.088 394 S CB 1.216 64.262 63.200 -0.256 0.000 1.009 394 S HN 1.565 nan 8.310 nan 0.000 0.484 395 A N 4.089 126.904 122.820 -0.009 0.000 2.066 395 A HA 0.489 4.809 4.320 0.000 0.000 0.218 395 A C 1.111 178.714 177.584 0.031 0.000 1.157 395 A CA 0.951 52.990 52.037 0.002 0.000 0.670 395 A CB -0.525 18.479 19.000 0.006 0.000 0.804 395 A HN 1.112 nan 8.150 nan 0.000 0.453 396 A N -0.374 122.508 122.820 0.104 0.000 2.320 396 A HA 0.707 5.027 4.320 0.000 0.000 0.334 396 A C -2.770 174.974 177.584 0.266 0.000 1.147 396 A CA -1.922 50.221 52.037 0.177 0.000 0.820 396 A CB 0.629 19.844 19.000 0.359 0.000 1.218 396 A HN 0.129 nan 8.150 nan 0.000 0.482 397 P HA 0.253 nan 4.420 nan 0.000 0.277 397 P C -0.718 176.809 177.300 0.379 0.000 1.276 397 P CA -0.331 62.853 63.100 0.141 0.000 0.788 397 P CB 0.305 31.863 31.700 -0.238 0.000 1.114 398 E N 0.005 120.196 120.200 -0.015 0.000 2.417 398 E HA 0.056 4.406 4.350 0.000 0.000 0.261 398 E C -0.311 176.390 176.600 0.168 0.000 1.000 398 E CA 0.568 56.841 56.400 -0.212 0.000 0.919 398 E CB -0.518 28.866 29.700 -0.528 0.000 0.955 398 E HN 0.239 nan 8.360 nan 0.000 0.455 399 I N 4.632 125.288 120.570 0.143 0.000 2.291 399 I HA 0.131 4.301 4.170 0.000 0.000 0.292 399 I C 1.280 177.357 176.117 -0.068 0.000 1.064 399 I CA -0.053 61.261 61.300 0.023 0.000 1.269 399 I CB 0.501 38.536 38.000 0.058 0.000 1.418 399 I HN 0.461 nan 8.210 nan 0.000 0.485 400 R N 4.291 124.704 120.500 -0.146 0.000 2.250 400 R HA 0.277 4.617 4.340 0.000 0.000 0.194 400 R C -0.416 175.536 176.300 -0.580 0.000 0.927 400 R CA 0.425 56.293 56.100 -0.386 0.000 1.052 400 R CB 0.502 30.442 30.300 -0.601 0.000 1.055 400 R HN 0.327 nan 8.270 nan 0.000 0.537 401 F N 1.769 121.712 119.950 -0.012 0.000 2.563 401 F HA 0.439 4.966 4.527 0.000 0.000 0.316 401 F C -2.139 173.626 175.800 -0.060 0.000 1.076 401 F CA -3.078 54.940 58.000 0.029 0.000 0.921 401 F CB 1.488 40.520 39.000 0.053 0.000 1.209 401 F HN -0.225 nan 8.300 nan 0.000 0.462 402 P HA 0.015 nan 4.420 nan 0.000 0.274 402 P C -1.034 176.293 177.300 0.045 0.000 1.231 402 P CA -0.324 62.799 63.100 0.039 0.000 0.790 402 P CB 0.973 32.685 31.700 0.021 0.000 0.951 403 N N 1.286 119.945 118.700 -0.069 0.000 2.479 403 N HA 0.182 4.922 4.740 0.000 0.000 0.285 403 N C 0.308 175.774 175.510 -0.073 0.000 1.075 403 N CA -0.330 52.658 53.050 -0.103 0.000 0.967 403 N CB 1.030 39.398 38.487 -0.198 0.000 1.137 403 N HN 0.198 nan 8.380 nan 0.000 0.472 404 V N 1.599 121.414 119.914 -0.166 0.000 3.078 404 V HA 0.339 4.459 4.120 0.000 0.000 0.344 404 V C -0.322 175.660 176.094 -0.187 0.000 1.409 404 V CA -0.190 62.022 62.300 -0.147 0.000 1.146 404 V CB -0.930 30.848 31.823 -0.076 0.000 1.126 404 V HN 0.510 nan 8.190 nan 0.000 0.513 405 Y N 1.379 121.746 120.300 0.112 0.000 2.430 405 Y HA 0.749 5.299 4.550 -0.000 0.000 0.248 405 Y C 1.934 177.858 175.900 0.040 0.000 1.108 405 Y CA -0.040 58.115 58.100 0.093 0.000 1.264 405 Y CB 1.236 39.735 38.460 0.066 0.000 1.172 405 Y HN 0.408 nan 8.280 nan 0.000 0.520 406 G N -1.080 107.776 108.800 0.094 0.000 3.942 406 G HA2 0.001 3.961 3.960 0.000 0.000 0.219 406 G HA3 0.001 3.961 3.960 0.000 0.000 0.219 406 G C -0.312 174.504 174.900 -0.139 0.000 0.869 406 G CA -0.460 44.633 45.100 -0.012 0.000 0.851 406 G HN -0.049 nan 8.290 nan 0.000 0.560 407 I N 2.724 123.190 120.570 -0.172 0.000 2.315 407 I HA 0.325 4.495 4.170 0.000 0.000 0.291 407 I C -0.407 175.662 176.117 -0.080 0.000 1.006 407 I CA -1.042 60.099 61.300 -0.264 0.000 1.265 407 I CB 0.971 38.807 38.000 -0.274 0.000 1.387 407 I HN 0.144 nan 8.210 nan 0.000 0.475 408 D N 7.919 128.343 120.400 0.040 0.000 2.371 408 D HA 0.307 4.947 4.640 0.000 0.000 0.256 408 D C -0.518 175.868 176.300 0.143 0.000 1.193 408 D CA 0.224 54.320 54.000 0.161 0.000 0.881 408 D CB 0.641 41.659 40.800 0.362 0.000 1.143 408 D HN 0.243 nan 8.370 nan 0.000 0.473 409 M N 3.977 123.614 119.600 0.061 0.000 2.593 409 M HA 0.400 4.880 4.480 0.000 0.000 0.290 409 M C -2.357 173.948 176.300 0.008 0.000 1.244 409 M CA -1.830 53.492 55.300 0.037 0.000 0.857 409 M CB 1.860 34.443 32.600 -0.030 0.000 1.738 409 M HN 0.305 nan 8.290 nan 0.000 0.461 410 P HA 0.224 nan 4.420 nan 0.000 0.277 410 P C -0.412 176.855 177.300 -0.055 0.000 1.271 410 P CA -0.265 62.820 63.100 -0.026 0.000 0.795 410 P CB 0.286 31.974 31.700 -0.021 0.000 1.101 411 S N -0.715 114.939 115.700 -0.076 0.000 2.584 411 S HA 0.213 4.683 4.470 0.000 0.000 0.270 411 S C 1.572 176.083 174.600 -0.148 0.000 1.346 411 S CA -0.030 58.108 58.200 -0.103 0.000 1.018 411 S CB 0.112 63.246 63.200 -0.109 0.000 0.899 411 S HN 0.597 nan 8.310 nan 0.000 0.542 412 A N 1.940 124.643 122.820 -0.195 0.000 1.958 412 A HA -0.148 4.172 4.320 0.000 0.000 0.221 412 A C 2.342 179.547 177.584 -0.632 0.000 1.178 412 A CA 2.354 54.149 52.037 -0.403 0.000 0.642 412 A CB -2.050 16.684 19.000 -0.443 0.000 0.816 412 A HN 1.198 nan 8.150 nan 0.000 0.453 413 T N -2.195 112.108 114.554 -0.419 0.000 3.035 413 T HA -0.024 4.326 4.350 0.000 0.000 0.268 413 T C 1.383 175.991 174.700 -0.153 0.000 1.109 413 T CA 1.313 63.240 62.100 -0.288 0.000 1.119 413 T CB -0.194 68.572 68.868 -0.172 0.000 0.900 413 T HN 0.699 nan 8.240 nan 0.000 0.503 414 E N 0.866 120.988 120.200 -0.131 0.000 2.250 414 E HA 0.202 4.552 4.350 0.000 0.000 0.192 414 E C 0.177 176.749 176.600 -0.046 0.000 0.986 414 E CA -0.088 56.270 56.400 -0.070 0.000 0.849 414 E CB -0.039 29.627 29.700 -0.058 0.000 0.797 414 E HN 0.500 nan 8.360 nan 0.000 0.482 415 L N 2.440 123.626 121.223 -0.063 0.000 2.500 415 L HA 0.052 4.392 4.340 0.000 0.000 0.272 415 L C 1.488 178.365 176.870 0.011 0.000 1.149 415 L CA -0.050 54.777 54.840 -0.022 0.000 0.897 415 L CB 0.500 42.534 42.059 -0.041 0.000 1.178 415 L HN 0.147 nan 8.230 nan 0.000 0.473 416 I N 2.809 123.398 120.570 0.031 0.000 2.423 416 I HA -0.289 3.881 4.170 0.000 0.000 0.254 416 I C 2.369 178.513 176.117 0.044 0.000 1.151 416 I CA 1.458 62.784 61.300 0.044 0.000 1.421 416 I CB 0.299 38.336 38.000 0.062 0.000 1.079 416 I HN 0.865 nan 8.210 nan 0.000 0.431 417 A N -0.729 122.109 122.820 0.030 0.000 2.119 417 A HA -0.187 4.133 4.320 0.000 0.000 0.217 417 A C 1.367 178.900 177.584 -0.084 0.000 1.153 417 A CA 0.342 52.358 52.037 -0.036 0.000 0.692 417 A CB -0.731 18.220 19.000 -0.082 0.000 0.799 417 A HN 0.569 nan 8.150 nan 0.000 0.458 418 H N 0.431 119.403 119.070 -0.164 0.000 3.145 418 H HA 0.259 4.815 4.556 0.000 0.000 0.263 418 H C 1.238 176.477 175.328 -0.148 0.000 1.057 418 H CA 1.026 56.937 56.048 -0.229 0.000 1.477 418 H CB -0.348 29.274 29.762 -0.233 0.000 1.529 418 H HN 0.543 nan 8.280 nan 0.000 0.508 419 G N 5.036 113.590 108.800 -0.409 0.000 2.147 419 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 419 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 419 G C 0.067 174.909 174.900 -0.097 0.000 1.005 419 G CA 0.149 45.106 45.100 -0.238 0.000 0.713 419 G HN 0.674 nan 8.290 nan 0.000 0.515 420 R N -0.499 119.948 120.500 -0.088 0.000 2.771 420 R HA 0.525 4.865 4.340 0.000 0.000 0.274 420 R C -0.705 175.570 176.300 -0.043 0.000 0.987 420 R CA -1.029 55.048 56.100 -0.038 0.000 0.908 420 R CB 1.447 31.745 30.300 -0.003 0.000 1.213 420 R HN 0.155 nan 8.270 nan 0.000 0.468 421 E N 1.103 121.298 120.200 -0.009 0.000 2.283 421 E HA 0.095 4.445 4.350 0.000 0.000 0.267 421 E C 1.200 177.828 176.600 0.047 0.000 1.045 421 E CA -0.347 56.055 56.400 0.003 0.000 0.884 421 E CB 1.638 31.349 29.700 0.019 0.000 1.106 421 E HN 0.279 nan 8.360 nan 0.000 0.408 422 V N 1.448 121.404 119.914 0.071 0.000 2.277 422 V HA -0.335 3.785 4.120 0.000 0.000 0.253 422 V C 1.897 178.108 176.094 0.196 0.000 1.067 422 V CA 2.523 64.941 62.300 0.196 0.000 1.047 422 V CB -0.537 31.433 31.823 0.245 0.000 0.649 422 V HN 0.720 nan 8.190 nan 0.000 0.447 423 D N -0.583 119.901 120.400 0.140 0.000 2.178 423 D HA -0.156 4.484 4.640 0.000 0.000 0.202 423 D C 2.140 178.499 176.300 0.098 0.000 0.974 423 D CA 1.346 55.419 54.000 0.122 0.000 0.841 423 D CB -0.012 40.845 40.800 0.096 0.000 0.953 423 D HN 0.613 nan 8.370 nan 0.000 0.478 424 E N -0.207 120.042 120.200 0.082 0.000 2.028 424 E HA -0.111 4.239 4.350 0.000 0.000 0.191 424 E C 2.356 179.003 176.600 0.078 0.000 0.988 424 E CA 0.787 57.226 56.400 0.064 0.000 0.799 424 E CB -0.068 29.660 29.700 0.047 0.000 0.755 424 E HN 0.389 nan 8.360 nan 0.000 0.447 425 I N 1.135 121.767 120.570 0.104 0.000 2.194 425 I HA -0.325 3.845 4.170 0.000 0.000 0.246 425 I C 2.758 178.950 176.117 0.126 0.000 1.093 425 I CA 1.184 62.561 61.300 0.128 0.000 1.355 425 I CB -0.381 37.741 38.000 0.203 0.000 1.046 425 I HN 0.070 nan 8.210 nan 0.000 0.413 426 R N 1.098 121.682 120.500 0.140 0.000 2.091 426 R HA -0.222 4.119 4.340 0.000 0.000 0.238 426 R C 2.257 178.601 176.300 0.073 0.000 1.136 426 R CA 1.769 57.940 56.100 0.118 0.000 0.959 426 R CB -0.146 30.238 30.300 0.139 0.000 0.856 426 R HN 0.475 nan 8.270 nan 0.000 0.437 427 Q N -0.013 119.825 119.800 0.064 0.000 2.119 427 Q HA -0.094 4.246 4.340 0.000 0.000 0.201 427 Q C 2.212 178.231 176.000 0.032 0.000 0.972 427 Q CA 1.454 57.281 55.803 0.040 0.000 0.847 427 Q CB -0.009 28.751 28.738 0.037 0.000 0.903 427 Q HN 0.430 nan 8.270 nan 0.000 0.433 428 I N 1.062 121.656 120.570 0.041 0.000 2.315 428 I HA -0.227 3.943 4.170 0.000 0.000 0.248 428 I C 2.227 178.360 176.117 0.027 0.000 1.117 428 I CA 1.086 62.405 61.300 0.032 0.000 1.404 428 I CB -0.242 37.782 38.000 0.039 0.000 1.071 428 I HN 0.282 nan 8.210 nan 0.000 0.419 429 I N -1.881 118.710 120.570 0.036 0.000 3.793 429 I HA 0.355 4.525 4.170 0.000 0.000 0.315 429 I C 1.455 177.578 176.117 0.011 0.000 1.275 429 I CA 0.586 61.901 61.300 0.025 0.000 1.214 429 I CB -0.285 37.736 38.000 0.036 0.000 1.018 429 I HN 0.268 nan 8.210 nan 0.000 0.439 430 G N 1.782 110.588 108.800 0.010 0.000 2.153 430 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 430 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 430 G C 0.403 175.290 174.900 -0.022 0.000 0.994 430 G CA 0.140 45.235 45.100 -0.008 0.000 0.698 430 G HN 0.946 nan 8.290 nan 0.000 0.521 431 A N -0.381 122.437 122.820 -0.003 0.000 2.440 431 A HA 0.579 4.899 4.320 0.000 0.000 0.251 431 A C 0.986 178.538 177.584 -0.053 0.000 1.089 431 A CA 0.778 52.804 52.037 -0.017 0.000 0.779 431 A CB 0.315 19.341 19.000 0.043 0.000 1.022 431 A HN 0.300 nan 8.150 nan 0.000 0.492 432 D N 0.951 121.246 120.400 -0.174 0.000 2.264 432 D HA 0.262 4.902 4.640 0.000 0.000 0.208 432 D C 0.821 177.071 176.300 -0.085 0.000 0.966 432 D CA 1.904 55.769 54.000 -0.226 0.000 0.864 432 D CB 0.231 40.719 40.800 -0.520 0.000 0.933 432 D HN 0.743 nan 8.370 nan 0.000 0.499 433 G N -0.192 108.630 108.800 0.036 0.000 2.768 433 G HA2 0.493 4.453 3.960 0.000 0.000 0.297 433 G HA3 0.493 4.453 3.960 0.000 0.000 0.297 433 G C -2.101 173.010 174.900 0.352 0.000 1.430 433 G CA -0.633 44.559 45.100 0.153 0.000 1.030 433 G HN 0.031 nan 8.290 nan 0.000 0.553 434 L N 1.893 123.412 121.223 0.495 0.000 2.370 434 L HA 0.958 5.298 4.340 0.000 0.000 0.266 434 L C -1.051 176.060 176.870 0.402 0.000 1.002 434 L CA -1.226 53.852 54.840 0.396 0.000 0.818 434 L CB 2.002 44.181 42.059 0.200 0.000 1.325 434 L HN 0.644 nan 8.230 nan 0.000 0.418 435 I N 2.817 123.379 120.570 -0.012 0.000 2.710 435 I HA 0.459 4.630 4.170 0.000 0.000 0.290 435 I C -1.664 174.265 176.117 -0.313 0.000 1.318 435 I CA -0.234 60.939 61.300 -0.213 0.000 1.045 435 I CB 1.444 38.955 38.000 -0.815 0.000 1.307 435 I HN 0.524 nan 8.210 nan 0.000 0.424 436 F N 4.256 124.155 119.950 -0.086 0.000 2.483 436 F HA 0.526 5.053 4.527 0.000 0.000 0.329 436 F C 0.258 176.002 175.800 -0.092 0.000 1.064 436 F CA -0.567 57.401 58.000 -0.054 0.000 0.986 436 F CB 1.120 40.119 39.000 -0.001 0.000 1.218 436 F HN 0.385 nan 8.300 nan 0.000 0.484 437 Q N 1.737 121.614 119.800 0.129 0.000 2.313 437 Q HA 0.103 4.443 4.340 0.000 0.000 0.266 437 Q C -0.954 175.044 176.000 -0.003 0.000 0.989 437 Q CA -0.001 55.807 55.803 0.008 0.000 0.890 437 Q CB 0.334 29.058 28.738 -0.024 0.000 1.200 437 Q HN 0.377 nan 8.270 nan 0.000 0.396 438 D N 3.468 123.845 120.400 -0.038 0.000 2.382 438 D HA -0.050 4.590 4.640 0.000 0.000 0.245 438 D C 0.908 177.149 176.300 -0.098 0.000 1.120 438 D CA -0.095 53.875 54.000 -0.050 0.000 0.890 438 D CB 1.102 41.876 40.800 -0.044 0.000 1.201 438 D HN 0.614 nan 8.370 nan 0.000 0.433 439 L N 4.144 125.299 121.223 -0.114 0.000 2.012 439 L HA -0.237 4.103 4.340 0.000 0.000 0.210 439 L C 1.978 178.779 176.870 -0.115 0.000 1.073 439 L CA 1.705 56.441 54.840 -0.174 0.000 0.748 439 L CB -0.617 41.367 42.059 -0.124 0.000 0.891 439 L HN 0.478 nan 8.230 nan 0.000 0.431 440 N N -1.342 117.323 118.700 -0.058 0.000 2.166 440 N HA -0.228 4.512 4.740 0.000 0.000 0.186 440 N C 1.378 176.860 175.510 -0.047 0.000 1.019 440 N CA 1.663 54.694 53.050 -0.031 0.000 0.856 440 N CB -0.855 37.624 38.487 -0.012 0.000 0.993 440 N HN 0.363 nan 8.380 nan 0.000 0.426 441 D N 1.148 121.510 120.400 -0.064 0.000 2.092 441 D HA -0.120 4.520 4.640 0.000 0.000 0.193 441 D C 2.094 178.338 176.300 -0.095 0.000 0.994 441 D CA 0.661 54.619 54.000 -0.070 0.000 0.828 441 D CB -0.502 40.254 40.800 -0.073 0.000 0.963 441 D HN 0.210 nan 8.370 nan 0.000 0.450 442 L N 0.830 121.976 121.223 -0.129 0.000 2.043 442 L HA -0.168 4.172 4.340 0.000 0.000 0.212 442 L C 2.112 178.863 176.870 -0.199 0.000 1.075 442 L CA 1.522 56.261 54.840 -0.170 0.000 0.752 442 L CB -0.526 41.394 42.059 -0.232 0.000 0.891 442 L HN 0.086 nan 8.230 nan 0.000 0.432 443 I N -0.533 119.941 120.570 -0.159 0.000 2.179 443 I HA -0.279 3.891 4.170 0.000 0.000 0.242 443 I C 2.140 178.234 176.117 -0.038 0.000 1.088 443 I CA 1.440 62.669 61.300 -0.118 0.000 1.357 443 I CB -0.707 37.331 38.000 0.064 0.000 1.051 443 I HN 0.295 nan 8.210 nan 0.000 0.409 444 D N 1.343 121.729 120.400 -0.023 0.000 2.104 444 D HA -0.185 4.455 4.640 0.000 0.000 0.194 444 D C 2.263 178.535 176.300 -0.046 0.000 0.994 444 D CA 1.725 55.719 54.000 -0.010 0.000 0.830 444 D CB -0.314 40.473 40.800 -0.022 0.000 0.959 444 D HN 0.347 nan 8.370 nan 0.000 0.452 445 A N 0.581 123.348 122.820 -0.089 0.000 1.917 445 A HA -0.188 4.132 4.320 0.000 0.000 0.219 445 A C 2.538 180.032 177.584 -0.151 0.000 1.182 445 A CA 1.843 53.813 52.037 -0.113 0.000 0.633 445 A CB -0.700 18.227 19.000 -0.121 0.000 0.819 445 A HN 0.192 nan 8.150 nan 0.000 0.448 446 V N -0.742 119.035 119.914 -0.227 0.000 2.446 446 V HA -0.114 4.006 4.120 0.000 0.000 0.244 446 V C 2.514 178.534 176.094 -0.123 0.000 1.039 446 V CA 1.768 63.865 62.300 -0.339 0.000 1.045 446 V CB -0.782 30.608 31.823 -0.721 0.000 0.681 446 V HN 0.592 nan 8.190 nan 0.000 0.459 447 R N 0.413 120.950 120.500 0.061 0.000 2.152 447 R HA -0.143 4.197 4.340 0.000 0.000 0.232 447 R C 2.280 178.619 176.300 0.066 0.000 1.117 447 R CA 1.341 57.568 56.100 0.211 0.000 0.981 447 R CB -0.388 30.066 30.300 0.256 0.000 0.870 447 R HN 0.515 nan 8.270 nan 0.000 0.451 448 A N 1.048 123.872 122.820 0.007 0.000 1.940 448 A HA -0.170 4.150 4.320 0.000 0.000 0.219 448 A C 1.695 179.271 177.584 -0.014 0.000 1.176 448 A CA 1.490 53.520 52.037 -0.013 0.000 0.631 448 A CB -0.268 18.709 19.000 -0.038 0.000 0.814 448 A HN 0.310 nan 8.150 nan 0.000 0.446 449 E N -0.740 119.446 120.200 -0.024 0.000 2.347 449 E HA -0.049 4.301 4.350 0.000 0.000 0.196 449 E C -0.075 176.535 176.600 0.017 0.000 1.008 449 E CA 0.508 56.900 56.400 -0.014 0.000 0.852 449 E CB -0.074 29.603 29.700 -0.037 0.000 0.783 449 E HN 0.571 nan 8.360 nan 0.000 0.505 450 N N -0.633 118.085 118.700 0.030 0.000 3.151 450 N HA 0.090 4.830 4.740 0.000 0.000 0.219 450 N C -2.640 172.890 175.510 0.033 0.000 1.434 450 N CA -1.045 52.028 53.050 0.038 0.000 0.767 450 N CB 1.018 39.542 38.487 0.061 0.000 1.564 450 N HN -0.293 nan 8.380 nan 0.000 0.612 451 P HA 0.009 nan 4.420 nan 0.000 0.228 451 P C 0.425 177.714 177.300 -0.017 0.000 1.151 451 P CA 0.729 63.832 63.100 0.006 0.000 0.770 451 P CB 0.426 32.128 31.700 0.003 0.000 0.786 452 D N -0.557 119.834 120.400 -0.016 0.000 2.144 452 D HA -0.085 4.555 4.640 0.000 0.000 0.199 452 D C 0.857 177.115 176.300 -0.070 0.000 0.984 452 D CA 0.872 54.854 54.000 -0.029 0.000 0.834 452 D CB -0.382 40.412 40.800 -0.010 0.000 0.955 452 D HN 0.134 nan 8.370 nan 0.000 0.465 453 I N 2.151 122.659 120.570 -0.104 0.000 2.494 453 I HA -0.021 4.149 4.170 0.000 0.000 0.289 453 I C 1.464 177.395 176.117 -0.310 0.000 1.106 453 I CA 0.487 61.636 61.300 -0.250 0.000 1.369 453 I CB 0.686 38.459 38.000 -0.379 0.000 1.410 453 I HN 0.011 nan 8.210 nan 0.000 0.523 454 Q N 4.370 124.015 119.800 -0.258 0.000 2.373 454 Q HA 0.115 4.455 4.340 0.000 0.000 0.210 454 Q C 0.462 176.336 176.000 -0.211 0.000 0.913 454 Q CA 0.394 56.086 55.803 -0.185 0.000 0.911 454 Q CB 0.978 29.656 28.738 -0.100 0.000 1.040 454 Q HN 0.626 nan 8.270 nan 0.000 0.521 455 Q N -0.164 119.456 119.800 -0.300 0.000 2.289 455 Q HA 0.397 4.737 4.340 0.000 0.000 0.270 455 Q C -1.669 174.162 176.000 -0.282 0.000 1.038 455 Q CA -0.375 55.311 55.803 -0.194 0.000 0.812 455 Q CB 1.536 30.231 28.738 -0.071 0.000 1.300 455 Q HN -0.055 nan 8.270 nan 0.000 0.427 456 F N 0.777 120.760 119.950 0.055 0.000 2.440 456 F HA 0.324 4.851 4.527 0.000 0.000 0.328 456 F C 0.614 176.462 175.800 0.080 0.000 1.070 456 F CA -0.739 57.314 58.000 0.088 0.000 1.011 456 F CB 1.150 40.227 39.000 0.129 0.000 1.226 456 F HN 0.361 nan 8.300 nan 0.000 0.491 457 E N 1.615 121.989 120.200 0.290 0.000 2.070 457 E HA 0.205 4.555 4.350 0.000 0.000 0.282 457 E C -0.690 176.046 176.600 0.227 0.000 1.104 457 E CA -0.066 56.440 56.400 0.176 0.000 0.876 457 E CB 0.525 30.283 29.700 0.096 0.000 1.055 457 E HN 0.744 nan 8.360 nan 0.000 0.401 458 C N 2.202 121.620 119.300 0.197 0.000 3.025 458 C HA 0.296 4.756 4.460 0.000 0.000 0.240 458 C C 1.708 176.753 174.990 0.091 0.000 2.061 458 C CA -0.180 59.002 59.018 0.273 0.000 1.571 458 C CB -1.421 26.585 27.740 0.444 0.000 3.075 458 C HN 0.537 nan 8.230 nan 0.000 0.479 459 S N 1.544 117.155 115.700 -0.150 0.000 2.400 459 S HA -0.216 4.254 4.470 0.000 0.000 0.232 459 S C 1.689 176.053 174.600 -0.392 0.000 1.025 459 S CA 1.742 59.644 58.200 -0.497 0.000 0.993 459 S CB -1.013 61.509 63.200 -1.130 0.000 0.808 459 S HN 1.448 nan 8.310 nan 0.000 0.478 460 V N -1.880 117.802 119.914 -0.387 0.000 2.867 460 V HA 0.004 4.124 4.120 0.000 0.000 0.260 460 V C 1.705 177.593 176.094 -0.344 0.000 1.099 460 V CA 1.274 63.325 62.300 -0.415 0.000 1.122 460 V CB -1.337 29.992 31.823 -0.822 0.000 0.708 460 V HN 0.406 nan 8.190 nan 0.000 0.490 461 F N 2.074 122.087 119.950 0.106 0.000 2.453 461 F HA 0.264 4.791 4.527 0.000 0.000 0.284 461 F C 2.127 178.042 175.800 0.191 0.000 1.065 461 F CA 0.813 58.893 58.000 0.134 0.000 1.411 461 F CB -0.545 38.507 39.000 0.087 0.000 1.131 461 F HN 0.427 nan 8.300 nan 0.000 0.582 462 N N -0.644 118.211 118.700 0.259 0.000 2.227 462 N HA 0.210 4.950 4.740 0.000 0.000 0.196 462 N C 1.480 176.852 175.510 -0.231 0.000 1.142 462 N CA 0.780 53.895 53.050 0.109 0.000 0.887 462 N CB 0.158 38.678 38.487 0.056 0.000 1.022 462 N HN 0.243 nan 8.380 nan 0.000 0.500 463 G N -0.252 108.125 108.800 -0.706 0.000 2.155 463 G HA2 -0.245 3.715 3.960 0.000 0.000 0.257 463 G HA3 -0.245 3.715 3.960 0.000 0.000 0.257 463 G C -0.505 174.002 174.900 -0.654 0.000 0.983 463 G CA 0.470 44.664 45.100 -1.509 0.000 0.676 463 G HN 0.316 nan 8.290 nan 0.000 0.528 464 V N 1.209 120.860 119.914 -0.439 0.000 2.318 464 V HA 0.475 4.595 4.120 0.000 0.000 0.271 464 V C -0.111 175.861 176.094 -0.203 0.000 1.030 464 V CA -0.929 61.258 62.300 -0.188 0.000 0.844 464 V CB 0.390 32.163 31.823 -0.082 0.000 1.015 464 V HN 0.241 nan 8.190 nan 0.000 0.460 465 Y N 3.739 124.038 120.300 -0.002 0.000 2.383 465 Y HA 0.255 4.805 4.550 0.000 0.000 0.344 465 Y C 1.338 177.316 175.900 0.130 0.000 0.986 465 Y CA -0.467 57.705 58.100 0.120 0.000 1.175 465 Y CB 1.496 40.014 38.460 0.097 0.000 1.152 465 Y HN 0.535 nan 8.280 nan 0.000 0.511 466 V N 0.105 120.159 119.914 0.233 0.000 2.453 466 V HA -0.272 3.848 4.120 0.000 0.000 0.252 466 V C 1.585 177.744 176.094 0.107 0.000 1.068 466 V CA 2.521 64.882 62.300 0.102 0.000 1.070 466 V CB -1.190 30.629 31.823 -0.006 0.000 0.664 466 V HN 0.894 nan 8.190 nan 0.000 0.461 467 T N -4.309 110.362 114.554 0.196 0.000 3.088 467 T HA 0.068 4.418 4.350 0.000 0.000 0.259 467 T C 1.355 176.128 174.700 0.122 0.000 1.122 467 T CA 0.668 62.859 62.100 0.151 0.000 1.095 467 T CB -0.142 68.858 68.868 0.219 0.000 0.930 467 T HN 0.499 nan 8.240 nan 0.000 0.508 468 K N 0.735 121.224 120.400 0.147 0.000 3.553 468 K HA -0.188 4.132 4.320 0.000 0.000 0.280 468 K C 0.536 177.149 176.600 0.021 0.000 1.061 468 K CA 1.890 58.228 56.287 0.084 0.000 1.101 468 K CB -2.069 30.464 32.500 0.055 0.000 1.421 468 K HN 0.778 nan 8.250 nan 0.000 0.440 469 D N 1.048 121.444 120.400 -0.006 0.000 2.344 469 D HA 0.099 4.739 4.640 0.000 0.000 0.242 469 D C 0.153 176.347 176.300 -0.176 0.000 1.159 469 D CA -0.128 53.824 54.000 -0.080 0.000 0.859 469 D CB -0.250 40.497 40.800 -0.088 0.000 0.925 469 D HN 0.019 nan 8.370 nan 0.000 0.510 470 V N 1.966 121.761 119.914 -0.197 0.000 2.383 470 V HA 0.367 4.487 4.120 0.000 0.000 0.275 470 V C 0.093 176.098 176.094 -0.148 0.000 1.036 470 V CA -0.668 61.473 62.300 -0.265 0.000 0.889 470 V CB 1.234 32.666 31.823 -0.650 0.000 0.985 470 V HN 0.294 nan 8.190 nan 0.000 0.459 471 D N 3.401 123.796 120.400 -0.007 0.000 2.592 471 D HA 0.259 4.899 4.640 0.000 0.000 0.263 471 D C 0.344 176.676 176.300 0.053 0.000 1.132 471 D CA -0.835 53.173 54.000 0.013 0.000 0.996 471 D CB 1.991 42.800 40.800 0.015 0.000 1.442 471 D HN 0.100 nan 8.370 nan 0.000 0.486 472 Q N 0.139 119.958 119.800 0.032 0.000 2.224 472 Q HA 0.121 4.461 4.340 0.000 0.000 0.203 472 Q C 2.002 178.015 176.000 0.022 0.000 0.970 472 Q CA 1.955 57.771 55.803 0.021 0.000 0.865 472 Q CB -0.682 28.068 28.738 0.020 0.000 0.922 472 Q HN 0.743 nan 8.270 nan 0.000 0.445 473 G N -0.804 108.019 108.800 0.038 0.000 2.418 473 G HA2 -0.307 3.654 3.960 0.000 0.000 0.217 473 G HA3 -0.307 3.654 3.960 0.000 0.000 0.217 473 G C 1.265 176.207 174.900 0.070 0.000 1.158 473 G CA 0.871 45.991 45.100 0.033 0.000 0.771 473 G HN 0.445 nan 8.290 nan 0.000 0.545 474 Y N 1.032 121.321 120.300 -0.019 0.000 2.220 474 Y HA 0.134 4.684 4.550 -0.000 0.000 0.291 474 Y C 2.536 178.475 175.900 0.065 0.000 1.129 474 Y CA 0.878 58.992 58.100 0.025 0.000 1.161 474 Y CB -0.304 38.143 38.460 -0.021 0.000 0.997 474 Y HN 0.081 nan 8.280 nan 0.000 0.522 475 L N 0.001 121.124 121.223 -0.167 0.000 2.079 475 L HA -0.233 4.107 4.340 0.000 0.000 0.210 475 L C 1.757 178.506 176.870 -0.201 0.000 1.081 475 L CA 1.698 56.391 54.840 -0.246 0.000 0.752 475 L CB -0.549 41.448 42.059 -0.103 0.000 0.896 475 L HN 0.201 nan 8.230 nan 0.000 0.433 476 D N -0.604 119.732 120.400 -0.106 0.000 2.224 476 D HA -0.177 4.464 4.640 0.000 0.000 0.205 476 D C 1.796 178.046 176.300 -0.082 0.000 0.965 476 D CA 0.805 54.756 54.000 -0.082 0.000 0.852 476 D CB -0.138 40.639 40.800 -0.038 0.000 0.947 476 D HN 0.228 nan 8.370 nan 0.000 0.494 477 F N 1.189 121.005 119.950 -0.222 0.000 2.186 477 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 477 F C 1.788 177.455 175.800 -0.222 0.000 1.090 477 F CA 0.946 58.815 58.000 -0.219 0.000 1.307 477 F CB -0.225 38.641 39.000 -0.224 0.000 1.019 477 F HN -0.119 nan 8.300 nan 0.000 0.489 478 L N 0.025 120.962 121.223 -0.477 0.000 2.093 478 L HA -0.197 4.143 4.340 0.000 0.000 0.208 478 L C 1.882 178.529 176.870 -0.371 0.000 1.085 478 L CA 1.472 56.008 54.840 -0.507 0.000 0.755 478 L CB -0.782 41.020 42.059 -0.429 0.000 0.904 478 L HN 0.047 nan 8.230 nan 0.000 0.435 479 D N -0.917 119.317 120.400 -0.277 0.000 2.178 479 D HA -0.130 4.510 4.640 0.000 0.000 0.202 479 D C 2.155 178.340 176.300 -0.193 0.000 0.974 479 D CA 1.168 55.051 54.000 -0.194 0.000 0.841 479 D CB -0.061 40.655 40.800 -0.141 0.000 0.953 479 D HN 0.178 nan 8.370 nan 0.000 0.478 480 T N 0.481 114.894 114.554 -0.235 0.000 2.777 480 T HA -0.034 4.316 4.350 0.000 0.000 0.266 480 T C 2.103 176.664 174.700 -0.232 0.000 1.040 480 T CA 0.522 62.504 62.100 -0.196 0.000 1.141 480 T CB -0.190 68.580 68.868 -0.163 0.000 0.868 480 T HN 0.123 nan 8.240 nan 0.000 0.444 481 L N 0.438 121.440 121.223 -0.368 0.000 2.017 481 L HA -0.074 4.266 4.340 0.000 0.000 0.208 481 L C 2.868 179.627 176.870 -0.184 0.000 1.073 481 L CA 1.394 56.052 54.840 -0.304 0.000 0.745 481 L CB -0.483 41.336 42.059 -0.400 0.000 0.894 481 L HN 0.137 nan 8.230 nan 0.000 0.432 482 R N 0.377 120.769 120.500 -0.179 0.000 2.081 482 R HA -0.204 4.136 4.340 0.000 0.000 0.235 482 R C 2.236 178.479 176.300 -0.096 0.000 1.131 482 R CA 1.812 57.839 56.100 -0.121 0.000 0.960 482 R CB -0.301 29.928 30.300 -0.119 0.000 0.856 482 R HN 0.444 nan 8.270 nan 0.000 0.436 483 N N 0.147 118.786 118.700 -0.101 0.000 2.142 483 N HA -0.169 4.571 4.740 0.000 0.000 0.186 483 N C 0.691 176.163 175.510 -0.064 0.000 1.023 483 N CA 1.748 54.752 53.050 -0.076 0.000 0.852 483 N CB -0.077 38.365 38.487 -0.074 0.000 0.998 483 N HN 0.175 nan 8.380 nan 0.000 0.424 484 D N 0.581 120.938 120.400 -0.071 0.000 2.219 484 D HA -0.091 4.549 4.640 0.000 0.000 0.205 484 D C 1.209 177.481 176.300 -0.047 0.000 0.970 484 D CA 0.829 54.797 54.000 -0.054 0.000 0.851 484 D CB -0.213 40.553 40.800 -0.057 0.000 0.943 484 D HN 0.295 nan 8.370 nan 0.000 0.488 485 D N -0.208 120.158 120.400 -0.056 0.000 2.149 485 D HA -0.019 4.621 4.640 0.000 0.000 0.201 485 D C 1.993 178.269 176.300 -0.041 0.000 0.972 485 D CA 1.034 55.007 54.000 -0.045 0.000 0.835 485 D CB -0.224 40.545 40.800 -0.052 0.000 0.966 485 D HN 0.151 nan 8.370 nan 0.000 0.476 486 A N 0.585 123.378 122.820 -0.045 0.000 1.929 486 A HA -0.129 4.191 4.320 0.000 0.000 0.216 486 A C 2.041 179.605 177.584 -0.033 0.000 1.176 486 A CA 1.133 53.146 52.037 -0.041 0.000 0.628 486 A CB -0.220 18.754 19.000 -0.044 0.000 0.816 486 A HN 0.079 nan 8.150 nan 0.000 0.444 487 K N -0.548 119.833 120.400 -0.032 0.000 2.228 487 K HA 0.111 4.432 4.320 0.000 0.000 0.202 487 K C 2.183 178.770 176.600 -0.021 0.000 1.051 487 K CA 0.735 57.007 56.287 -0.025 0.000 0.960 487 K CB -0.137 32.349 32.500 -0.025 0.000 0.743 487 K HN 0.437 nan 8.250 nan 0.000 0.458 488 A N 0.703 123.510 122.820 -0.022 0.000 1.872 488 A HA -0.080 4.240 4.320 0.000 0.000 0.214 488 A C 2.221 179.794 177.584 -0.017 0.000 1.187 488 A CA 1.075 53.102 52.037 -0.017 0.000 0.614 488 A CB -0.446 18.545 19.000 -0.016 0.000 0.826 488 A HN 0.046 nan 8.150 nan 0.000 0.442 489 V N 0.040 119.941 119.914 -0.022 0.000 2.427 489 V HA -0.242 3.878 4.120 0.000 0.000 0.248 489 V C 2.718 178.799 176.094 -0.021 0.000 1.051 489 V CA 2.251 64.537 62.300 -0.024 0.000 1.048 489 V CB -0.711 31.093 31.823 -0.031 0.000 0.666 489 V HN 0.695 nan 8.190 nan 0.000 0.456 490 Q N 0.877 120.665 119.800 -0.022 0.000 2.119 490 Q HA -0.218 4.122 4.340 0.000 0.000 0.201 490 Q C 2.189 178.181 176.000 -0.013 0.000 0.972 490 Q CA 2.029 57.821 55.803 -0.019 0.000 0.847 490 Q CB -0.399 28.327 28.738 -0.020 0.000 0.903 490 Q HN 0.572 nan 8.270 nan 0.000 0.433 491 R N 0.484 120.977 120.500 -0.013 0.000 2.083 491 R HA -0.106 4.235 4.340 0.000 0.000 0.237 491 R C 1.126 177.423 176.300 -0.006 0.000 1.137 491 R CA 1.396 57.491 56.100 -0.009 0.000 0.951 491 R CB -0.522 29.773 30.300 -0.008 0.000 0.851 491 R HN 0.465 nan 8.270 nan 0.000 0.434 492 Q N 0.000 119.796 119.800 -0.007 0.000 2.315 492 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 492 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 492 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481