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 3c5e_1_A DATA FIRST_RESID 34 DATA SEQUENCE QWGHQEVPAK FNFASDVLDH WADMEKAGKR PPSPALWWVN GKGKELMWNF DATA SEQUENCE RELSENSQQA ANVLSGACGL QRGDRVAVVL PRVPEWWLVI LGCIRAGLIF DATA SEQUENCE MPGTIQMKST DILYRLQMSK AKAIVAGDEV IQEVDTVASE CPSLRIKLLV DATA SEQUENCE SEKSCDGWLN FKKLLNEAST THHCVETGSQ EASAIYFTSG TSGLPKMAEH DATA SEQUENCE SYSSLGLKAK MDAGWTGLQA SDIMWTISDT GWILNILCSL MEPWALGACT DATA SEQUENCE FVHLLPKFDP LVILKTLSSY PIKSMMGAPI VYRMLLQQDL SSYKFPHLQN DATA SEQUENCE CVTVGESLLP ETLENWRAQT GLDIRESYGQ TETGLTCMVS KTMKIKPGYM DATA SEQUENCE GTAASCYDVQ IIDDKGNVLP PGTEGDIGIR VKPIRPIGIF SGYVDNPDKT DATA SEQUENCE AANIRGDFWL LGDRGIKDED GYFQFMGRAD DIINSSGYRI GPSEVENALM DATA SEQUENCE EHPAVVETAV ISSPDPVRGE VVKAFVVLAS QFLSHDPEQL TKELQQHVKS DATA SEQUENCE VTAPYKYPRK IEFVLNLPKT VTGKIQRAKL RDKEWK 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 34 Q HA 0.000 nan 4.340 nan 0.000 0.214 34 Q C 0.000 176.109 176.000 0.181 0.000 1.003 34 Q CA 0.000 55.817 55.803 0.024 0.000 1.022 34 Q CB 0.000 28.627 28.738 -0.185 0.000 1.108 35 W N -0.155 121.133 121.300 -0.020 0.000 1.021 35 W HA 0.720 5.377 4.660 -0.004 0.000 0.324 35 W C 0.012 176.488 176.519 -0.071 0.000 0.932 35 W CA -0.975 56.351 57.345 -0.033 0.000 1.145 35 W CB -0.778 28.674 29.460 -0.013 0.000 1.215 35 W HN 0.453 nan 8.180 nan 0.000 0.463 36 G N 2.229 111.070 108.800 0.069 0.000 2.819 36 G HA2 0.010 3.965 3.960 -0.009 0.000 0.682 36 G HA3 0.010 3.965 3.960 -0.009 0.000 0.682 36 G C -0.532 174.285 174.900 -0.139 0.000 1.481 36 G CA 0.260 45.282 45.100 -0.130 0.000 0.904 36 G HN 1.605 nan 8.290 nan 0.000 0.563 37 H N -0.942 118.080 119.070 -0.079 0.000 2.544 37 H HA 0.819 5.369 4.556 -0.009 0.000 0.342 37 H C 0.307 175.565 175.328 -0.117 0.000 1.185 37 H CA -0.619 55.380 56.048 -0.082 0.000 1.264 37 H CB 0.879 30.616 29.762 -0.041 0.000 1.607 37 H HN 0.742 nan 8.280 nan 0.000 0.550 38 Q N 0.270 120.107 119.800 0.063 0.000 2.257 38 Q HA 0.279 4.614 4.340 -0.009 0.000 0.262 38 Q C -0.767 175.307 176.000 0.125 0.000 0.997 38 Q CA -0.865 54.939 55.803 0.002 0.000 0.873 38 Q CB 1.968 30.666 28.738 -0.066 0.000 1.312 38 Q HN 0.700 nan 8.270 nan 0.000 0.450 39 E N 1.681 121.912 120.200 0.053 0.000 2.103 39 E HA 0.311 4.655 4.350 -0.009 0.000 0.254 39 E C -0.869 175.735 176.600 0.008 0.000 0.940 39 E CA -0.314 56.116 56.400 0.051 0.000 0.771 39 E CB 0.923 30.651 29.700 0.047 0.000 1.153 39 E HN 0.343 nan 8.360 nan 0.000 0.428 40 V N -0.231 119.689 119.914 0.010 0.000 3.114 40 V HA 0.617 4.732 4.120 -0.009 0.000 0.308 40 V C -2.499 173.607 176.094 0.021 0.000 1.168 40 V CA -2.485 59.814 62.300 -0.001 0.000 1.015 40 V CB 1.307 33.122 31.823 -0.014 0.000 1.050 40 V HN 0.313 nan 8.190 nan 0.000 0.433 41 P HA 0.236 nan 4.420 nan 0.000 0.268 41 P C 0.866 178.208 177.300 0.069 0.000 1.208 41 P CA 0.471 63.608 63.100 0.061 0.000 0.777 41 P CB 1.003 32.766 31.700 0.104 0.000 0.875 42 A N 2.618 125.471 122.820 0.055 0.000 1.940 42 A HA -0.113 4.202 4.320 -0.009 0.000 0.219 42 A C 0.938 178.566 177.584 0.073 0.000 1.176 42 A CA 1.451 53.518 52.037 0.051 0.000 0.631 42 A CB -0.352 18.667 19.000 0.031 0.000 0.814 42 A HN 0.477 nan 8.150 nan 0.000 0.446 43 K N -1.909 118.544 120.400 0.088 0.000 2.316 43 K HA 0.692 5.007 4.320 -0.009 0.000 0.251 43 K C -1.712 175.007 176.600 0.198 0.000 0.934 43 K CA -0.464 55.877 56.287 0.091 0.000 0.802 43 K CB 1.880 34.397 32.500 0.027 0.000 1.171 43 K HN 0.208 nan 8.250 nan 0.000 0.426 44 F N 1.333 121.294 119.950 0.018 0.000 2.672 44 F HA 0.335 4.857 4.527 -0.010 0.000 0.311 44 F C -1.577 174.263 175.800 0.066 0.000 1.113 44 F CA -0.616 57.422 58.000 0.065 0.000 0.996 44 F CB 1.746 40.821 39.000 0.125 0.000 1.286 44 F HN 0.484 nan 8.300 nan 0.000 0.441 45 N N 5.409 123.649 118.700 -0.767 0.000 2.542 45 N HA 0.109 4.844 4.740 -0.009 0.000 0.288 45 N C -0.272 174.987 175.510 -0.417 0.000 1.115 45 N CA -0.346 52.501 53.050 -0.338 0.000 0.924 45 N CB 1.152 39.503 38.487 -0.228 0.000 1.526 45 N HN 0.711 nan 8.380 nan 0.000 0.515 46 F N 4.060 123.956 119.950 -0.091 0.000 2.161 46 F HA -0.076 4.446 4.527 -0.008 0.000 0.300 46 F C 2.030 177.870 175.800 0.067 0.000 1.089 46 F CA 2.163 60.199 58.000 0.061 0.000 1.282 46 F CB 0.213 39.406 39.000 0.321 0.000 1.010 46 F HN 0.684 nan 8.300 nan 0.000 0.485 47 A N -0.315 122.611 122.820 0.177 0.000 1.855 47 A HA -0.169 4.146 4.320 -0.009 0.000 0.215 47 A C 2.355 179.919 177.584 -0.034 0.000 1.191 47 A CA 2.108 54.211 52.037 0.111 0.000 0.613 47 A CB -1.337 17.754 19.000 0.152 0.000 0.829 47 A HN 0.478 nan 8.150 nan 0.000 0.442 48 S N -0.433 115.221 115.700 -0.076 0.000 2.395 48 S HA -0.087 4.378 4.470 -0.009 0.000 0.225 48 S C 1.175 175.677 174.600 -0.165 0.000 1.027 48 S CA 1.201 59.342 58.200 -0.098 0.000 0.965 48 S CB -0.310 62.838 63.200 -0.088 0.000 0.812 48 S HN 0.475 nan 8.310 nan 0.000 0.482 49 D N 0.572 120.802 120.400 -0.284 0.000 2.333 49 D HA 0.227 4.862 4.640 -0.009 0.000 0.208 49 D C 1.594 177.734 176.300 -0.267 0.000 0.984 49 D CA 0.448 54.267 54.000 -0.302 0.000 0.873 49 D CB 0.673 41.164 40.800 -0.515 0.000 0.935 49 D HN 0.415 nan 8.370 nan 0.000 0.521 50 V N -0.146 119.562 119.914 -0.344 0.000 3.449 50 V HA 0.016 4.131 4.120 -0.009 0.000 0.208 50 V C 1.878 177.851 176.094 -0.202 0.000 1.269 50 V CA -0.113 61.972 62.300 -0.358 0.000 1.301 50 V CB -0.199 31.203 31.823 -0.702 0.000 1.306 50 V HN -0.005 nan 8.190 nan 0.000 0.531 51 L N 1.094 122.190 121.223 -0.212 0.000 2.012 51 L HA -0.159 4.176 4.340 -0.009 0.000 0.210 51 L C 1.946 178.878 176.870 0.103 0.000 1.073 51 L CA 2.307 57.214 54.840 0.112 0.000 0.748 51 L CB -0.759 41.391 42.059 0.152 0.000 0.891 51 L HN 0.348 nan 8.230 nan 0.000 0.431 52 D N -1.964 118.439 120.400 0.005 0.000 2.264 52 D HA -0.197 4.438 4.640 -0.009 0.000 0.208 52 D C 1.924 178.191 176.300 -0.054 0.000 0.966 52 D CA 1.131 55.129 54.000 -0.003 0.000 0.864 52 D CB -0.124 40.667 40.800 -0.016 0.000 0.933 52 D HN 0.584 nan 8.370 nan 0.000 0.499 53 H N -0.608 118.324 119.070 -0.231 0.000 2.319 53 H HA -0.173 4.378 4.556 -0.009 0.000 0.299 53 H C 1.756 176.844 175.328 -0.400 0.000 1.092 53 H CA 1.976 57.791 56.048 -0.388 0.000 1.302 53 H CB -0.469 28.910 29.762 -0.638 0.000 1.373 53 H HN 0.198 nan 8.280 nan 0.000 0.497 54 W N 0.439 121.565 121.300 -0.290 0.000 2.363 54 W HA -0.043 4.612 4.660 -0.009 0.000 0.296 54 W C 2.904 179.272 176.519 -0.252 0.000 1.212 54 W CA 0.957 58.029 57.345 -0.456 0.000 1.260 54 W CB -0.389 28.562 29.460 -0.847 0.000 1.131 54 W HN 0.342 nan 8.180 nan 0.000 0.530 55 A N 0.529 123.404 122.820 0.092 0.000 1.898 55 A HA -0.207 4.108 4.320 -0.009 0.000 0.216 55 A C 1.672 179.254 177.584 -0.004 0.000 1.181 55 A CA 2.049 54.143 52.037 0.094 0.000 0.620 55 A CB -0.855 18.197 19.000 0.086 0.000 0.819 55 A HN 0.137 nan 8.150 nan 0.000 0.442 56 D N -0.260 120.093 120.400 -0.079 0.000 2.123 56 D HA -0.158 4.477 4.640 -0.009 0.000 0.196 56 D C 2.006 178.226 176.300 -0.133 0.000 0.992 56 D CA 1.361 55.298 54.000 -0.105 0.000 0.833 56 D CB -0.380 40.346 40.800 -0.123 0.000 0.954 56 D HN 0.477 nan 8.370 nan 0.000 0.455 57 M N 0.332 119.795 119.600 -0.228 0.000 2.117 57 M HA -0.150 4.325 4.480 -0.009 0.000 0.262 57 M C 2.038 178.307 176.300 -0.052 0.000 1.065 57 M CA 1.334 56.531 55.300 -0.172 0.000 1.114 57 M CB -0.237 32.231 32.600 -0.219 0.000 1.361 57 M HN 0.035 nan 8.290 nan 0.000 0.408 58 E N 0.312 120.508 120.200 -0.008 0.000 2.047 58 E HA -0.174 4.171 4.350 -0.009 0.000 0.191 58 E C 1.989 178.596 176.600 0.011 0.000 0.987 58 E CA 1.088 57.506 56.400 0.029 0.000 0.799 58 E CB -0.066 29.678 29.700 0.074 0.000 0.752 58 E HN 0.465 nan 8.360 nan 0.000 0.449 59 K N 0.476 120.877 120.400 0.001 0.000 2.103 59 K HA -0.109 4.206 4.320 -0.009 0.000 0.207 59 K C 1.960 178.554 176.600 -0.010 0.000 1.048 59 K CA 1.177 57.462 56.287 -0.004 0.000 0.930 59 K CB -0.074 32.421 32.500 -0.008 0.000 0.716 59 K HN 0.037 nan 8.250 nan 0.000 0.444 60 A N 0.226 123.033 122.820 -0.021 0.000 2.238 60 A HA 0.170 4.485 4.320 -0.009 0.000 0.208 60 A C 1.402 178.979 177.584 -0.011 0.000 1.177 60 A CA 0.809 52.834 52.037 -0.020 0.000 0.804 60 A CB -0.341 18.639 19.000 -0.034 0.000 0.823 60 A HN 0.426 nan 8.150 nan 0.000 0.482 61 G N -0.314 108.483 108.800 -0.005 0.000 2.155 61 G HA2 -0.310 3.645 3.960 -0.009 0.000 0.257 61 G HA3 -0.310 3.645 3.960 -0.009 0.000 0.257 61 G C 0.850 175.754 174.900 0.006 0.000 0.983 61 G CA 0.845 45.947 45.100 0.003 0.000 0.676 61 G HN 0.565 nan 8.290 nan 0.000 0.528 62 K N -0.818 119.583 120.400 0.000 0.000 2.361 62 K HA 0.138 4.453 4.320 -0.009 0.000 0.196 62 K C 1.233 177.849 176.600 0.027 0.000 1.039 62 K CA 0.329 56.620 56.287 0.007 0.000 1.001 62 K CB 0.528 33.021 32.500 -0.011 0.000 0.795 62 K HN 0.386 nan 8.250 nan 0.000 0.495 63 R N 1.158 121.677 120.500 0.033 0.000 2.651 63 R HA 0.255 4.590 4.340 -0.009 0.000 0.278 63 R C -2.925 173.406 176.300 0.053 0.000 1.010 63 R CA -2.017 54.118 56.100 0.059 0.000 0.896 63 R CB 1.800 32.156 30.300 0.094 0.000 1.211 63 R HN -0.209 nan 8.270 nan 0.000 0.456 64 P HA 0.153 nan 4.420 nan 0.000 0.270 64 P C -2.599 174.740 177.300 0.064 0.000 1.223 64 P CA -1.278 61.850 63.100 0.047 0.000 0.785 64 P CB -0.009 31.717 31.700 0.043 0.000 0.923 65 P HA 0.055 nan 4.420 nan 0.000 0.262 65 P C -0.673 176.679 177.300 0.088 0.000 1.199 65 P CA 0.851 63.994 63.100 0.072 0.000 0.763 65 P CB 0.120 31.840 31.700 0.034 0.000 0.790 66 S N 5.529 121.326 115.700 0.163 0.000 2.500 66 S HA 0.540 5.005 4.470 -0.009 0.000 0.301 66 S C -2.624 172.087 174.600 0.185 0.000 1.092 66 S CA -1.713 56.599 58.200 0.188 0.000 1.030 66 S CB 1.217 64.550 63.200 0.222 0.000 1.031 66 S HN 0.245 nan 8.310 nan 0.000 0.483 67 P HA 0.256 nan 4.420 nan 0.000 0.267 67 P C -0.094 177.187 177.300 -0.031 0.000 1.205 67 P CA -0.085 63.029 63.100 0.024 0.000 0.765 67 P CB 0.686 32.418 31.700 0.054 0.000 0.828 68 A N 3.624 126.265 122.820 -0.299 0.000 1.999 68 A HA 0.268 4.583 4.320 -0.009 0.000 0.200 68 A C 0.147 177.775 177.584 0.073 0.000 1.363 68 A CA 0.725 52.396 52.037 -0.611 0.000 0.844 68 A CB -0.052 17.896 19.000 -1.754 0.000 0.954 68 A HN 0.475 nan 8.150 nan 0.000 0.481 69 L N -0.725 120.554 121.223 0.094 0.000 2.439 69 L HA 0.655 4.990 4.340 -0.009 0.000 0.270 69 L C -2.122 174.933 176.870 0.308 0.000 0.972 69 L CA -0.599 54.359 54.840 0.196 0.000 0.836 69 L CB 1.777 43.868 42.059 0.054 0.000 1.255 69 L HN 0.332 nan 8.230 nan 0.000 0.404 70 W N 6.775 128.071 121.300 -0.007 0.000 2.475 70 W HA 0.468 5.123 4.660 -0.009 0.000 0.320 70 W C -2.030 174.279 176.519 -0.349 0.000 1.022 70 W CA -1.728 55.578 57.345 -0.065 0.000 1.240 70 W CB 1.352 30.803 29.460 -0.015 0.000 1.328 70 W HN 0.674 nan 8.180 nan 0.000 0.439 71 W N 8.522 129.818 121.300 -0.006 0.000 2.632 71 W HA 0.614 5.269 4.660 -0.008 0.000 0.328 71 W C -1.186 175.153 176.519 -0.300 0.000 1.044 71 W CA -0.861 56.291 57.345 -0.320 0.000 1.225 71 W CB 1.373 30.767 29.460 -0.110 0.000 1.396 71 W HN 0.331 nan 8.180 nan 0.000 0.499 72 V N 4.332 123.402 119.914 -1.407 0.000 2.876 72 V HA 0.531 4.646 4.120 -0.009 0.000 0.312 72 V C -0.093 174.871 176.094 -1.884 0.000 1.085 72 V CA -0.694 60.779 62.300 -1.378 0.000 0.945 72 V CB 2.064 33.286 31.823 -1.002 0.000 1.017 72 V HN 0.790 nan 8.190 nan 0.000 0.428 73 N N 1.735 119.604 118.700 -1.385 0.000 2.254 73 N HA 0.249 4.984 4.740 -0.009 0.000 0.190 73 N C 1.256 176.445 175.510 -0.535 0.000 1.107 73 N CA 0.738 53.236 53.050 -0.921 0.000 0.869 73 N CB 0.755 38.961 38.487 -0.468 0.000 0.983 73 N HN 2.063 nan 8.380 nan 0.000 0.487 74 G N 0.562 109.029 108.800 -0.555 0.000 2.148 74 G HA2 -0.319 3.635 3.960 -0.009 0.000 0.254 74 G HA3 -0.319 3.635 3.960 -0.009 0.000 0.254 74 G C 0.454 175.325 174.900 -0.049 0.000 0.981 74 G CA 0.666 45.667 45.100 -0.164 0.000 0.670 74 G HN 0.512 nan 8.290 nan 0.000 0.528 75 K N -0.944 119.405 120.400 -0.085 0.000 2.501 75 K HA 0.466 4.781 4.320 -0.009 0.000 0.204 75 K C 1.536 178.124 176.600 -0.019 0.000 1.067 75 K CA 0.335 56.607 56.287 -0.025 0.000 1.060 75 K CB 1.135 33.631 32.500 -0.008 0.000 0.873 75 K HN 1.154 nan 8.250 nan 0.000 0.540 76 G N 1.951 110.729 108.800 -0.037 0.000 2.211 76 G HA2 -0.241 3.714 3.960 -0.009 0.000 0.201 76 G HA3 -0.241 3.714 3.960 -0.009 0.000 0.201 76 G C -0.174 174.727 174.900 0.001 0.000 0.997 76 G CA -0.339 44.757 45.100 -0.006 0.000 0.652 76 G HN 0.168 nan 8.290 nan 0.000 0.500 77 K N 1.220 121.606 120.400 -0.023 0.000 2.156 77 K HA 0.659 4.974 4.320 -0.009 0.000 0.271 77 K C -0.173 176.420 176.600 -0.013 0.000 0.995 77 K CA -0.377 55.937 56.287 0.045 0.000 0.890 77 K CB 0.691 33.283 32.500 0.154 0.000 1.073 77 K HN 0.311 nan 8.250 nan 0.000 0.454 78 E N 3.607 123.873 120.200 0.109 0.000 2.383 78 E HA 0.449 4.794 4.350 -0.009 0.000 0.275 78 E C -1.255 175.490 176.600 0.243 0.000 0.918 78 E CA -0.913 55.592 56.400 0.176 0.000 0.764 78 E CB 2.038 31.878 29.700 0.233 0.000 1.252 78 E HN 0.349 nan 8.360 nan 0.000 0.449 79 L N 2.105 123.534 121.223 0.343 0.000 2.445 79 L HA 0.595 4.930 4.340 -0.009 0.000 0.262 79 L C -0.973 175.970 176.870 0.122 0.000 0.974 79 L CA -0.701 54.213 54.840 0.124 0.000 0.822 79 L CB 2.313 44.451 42.059 0.132 0.000 1.339 79 L HN 0.409 nan 8.230 nan 0.000 0.409 80 M N 2.666 122.168 119.600 -0.163 0.000 2.378 80 M HA 0.425 4.900 4.480 -0.009 0.000 0.289 80 M C -2.249 173.947 176.300 -0.174 0.000 1.136 80 M CA -0.237 55.029 55.300 -0.057 0.000 0.917 80 M CB 2.784 35.212 32.600 -0.286 0.000 1.669 80 M HN 0.579 nan 8.290 nan 0.000 0.461 81 W N 4.043 125.272 121.300 -0.118 0.000 2.529 81 W HA 0.279 4.934 4.660 -0.007 0.000 0.321 81 W C 0.015 176.404 176.519 -0.216 0.000 1.047 81 W CA -0.644 56.611 57.345 -0.150 0.000 1.216 81 W CB 1.741 31.104 29.460 -0.162 0.000 1.357 81 W HN 0.704 nan 8.180 nan 0.000 0.489 82 N N 0.275 118.980 118.700 0.008 0.000 2.364 82 N HA 0.200 4.935 4.740 -0.009 0.000 0.264 82 N C 0.425 175.866 175.510 -0.115 0.000 1.263 82 N CA -0.321 52.699 53.050 -0.050 0.000 0.959 82 N CB 0.240 38.743 38.487 0.027 0.000 1.204 82 N HN 0.211 nan 8.380 nan 0.000 0.550 83 F N -1.231 118.710 119.950 -0.015 0.000 2.186 83 F HA 0.056 4.577 4.527 -0.009 0.000 0.299 83 F C 2.640 178.428 175.800 -0.019 0.000 1.090 83 F CA 1.097 59.065 58.000 -0.052 0.000 1.307 83 F CB -0.230 38.771 39.000 0.002 0.000 1.019 83 F HN 0.501 nan 8.300 nan 0.000 0.489 84 R N 0.817 121.414 120.500 0.162 0.000 2.073 84 R HA -0.187 4.148 4.340 -0.009 0.000 0.234 84 R C 2.026 178.368 176.300 0.070 0.000 1.134 84 R CA 2.043 58.200 56.100 0.094 0.000 0.952 84 R CB -0.303 30.037 30.300 0.068 0.000 0.850 84 R HN 0.305 nan 8.270 nan 0.000 0.433 85 E N 0.334 120.579 120.200 0.074 0.000 2.077 85 E HA -0.221 4.124 4.350 -0.009 0.000 0.193 85 E C 1.976 178.706 176.600 0.217 0.000 0.989 85 E CA 1.210 57.683 56.400 0.123 0.000 0.800 85 E CB -0.156 29.602 29.700 0.096 0.000 0.746 85 E HN 0.198 nan 8.360 nan 0.000 0.452 86 L N 0.818 122.116 121.223 0.124 0.000 2.017 86 L HA -0.197 4.138 4.340 -0.009 0.000 0.208 86 L C 2.384 179.218 176.870 -0.060 0.000 1.073 86 L CA 1.878 56.672 54.840 -0.076 0.000 0.745 86 L CB -0.716 41.110 42.059 -0.389 0.000 0.894 86 L HN 0.005 nan 8.230 nan 0.000 0.432 87 S N -0.814 114.877 115.700 -0.015 0.000 2.353 87 S HA -0.234 4.231 4.470 -0.009 0.000 0.222 87 S C 1.893 176.508 174.600 0.025 0.000 1.035 87 S CA 1.675 59.883 58.200 0.014 0.000 1.025 87 S CB -0.352 62.873 63.200 0.042 0.000 0.902 87 S HN 0.635 nan 8.310 nan 0.000 0.440 88 E N 0.772 120.996 120.200 0.040 0.000 2.058 88 E HA -0.137 4.208 4.350 -0.009 0.000 0.194 88 E C 2.062 178.689 176.600 0.045 0.000 0.997 88 E CA 1.338 57.761 56.400 0.038 0.000 0.801 88 E CB -0.267 29.455 29.700 0.036 0.000 0.746 88 E HN 0.522 nan 8.360 nan 0.000 0.450 89 N N 0.583 119.335 118.700 0.086 0.000 2.244 89 N HA -0.109 4.626 4.740 -0.009 0.000 0.183 89 N C 2.018 177.559 175.510 0.052 0.000 1.016 89 N CA 1.410 54.523 53.050 0.104 0.000 0.866 89 N CB -0.191 38.453 38.487 0.262 0.000 0.980 89 N HN 0.138 nan 8.380 nan 0.000 0.430 90 S N 0.549 116.261 115.700 0.019 0.000 2.428 90 S HA -0.059 4.406 4.470 -0.009 0.000 0.230 90 S C 1.815 176.401 174.600 -0.024 0.000 1.014 90 S CA 0.590 58.789 58.200 -0.001 0.000 0.957 90 S CB -0.203 62.991 63.200 -0.010 0.000 0.784 90 S HN 0.284 nan 8.310 nan 0.000 0.499 91 Q N 0.987 120.782 119.800 -0.009 0.000 2.079 91 Q HA -0.083 4.252 4.340 -0.009 0.000 0.200 91 Q C 2.550 178.537 176.000 -0.022 0.000 0.974 91 Q CA 1.481 57.278 55.803 -0.011 0.000 0.840 91 Q CB -0.274 28.487 28.738 0.038 0.000 0.898 91 Q HN 0.702 nan 8.270 nan 0.000 0.430 92 Q N 0.282 120.075 119.800 -0.011 0.000 2.061 92 Q HA -0.200 4.135 4.340 -0.009 0.000 0.204 92 Q C 2.160 178.133 176.000 -0.045 0.000 0.984 92 Q CA 1.481 57.267 55.803 -0.029 0.000 0.846 92 Q CB -0.281 28.433 28.738 -0.039 0.000 0.902 92 Q HN 0.380 nan 8.270 nan 0.000 0.421 93 A N 1.134 123.946 122.820 -0.013 0.000 1.902 93 A HA -0.154 4.160 4.320 -0.009 0.000 0.217 93 A C 2.328 179.915 177.584 0.006 0.000 1.181 93 A CA 1.660 53.739 52.037 0.070 0.000 0.623 93 A CB -0.865 18.243 19.000 0.180 0.000 0.818 93 A HN 0.419 nan 8.150 nan 0.000 0.443 94 A N 0.185 122.926 122.820 -0.133 0.000 1.940 94 A HA -0.215 4.100 4.320 -0.009 0.000 0.219 94 A C 1.947 179.413 177.584 -0.197 0.000 1.176 94 A CA 1.819 53.663 52.037 -0.321 0.000 0.631 94 A CB -0.619 17.842 19.000 -0.899 0.000 0.814 94 A HN 0.561 nan 8.150 nan 0.000 0.446 95 N N 0.101 118.756 118.700 -0.075 0.000 2.188 95 N HA -0.106 4.629 4.740 -0.009 0.000 0.184 95 N C 1.750 177.281 175.510 0.035 0.000 1.018 95 N CA 1.519 54.603 53.050 0.056 0.000 0.858 95 N CB -0.509 38.018 38.487 0.068 0.000 0.989 95 N HN 0.268 nan 8.380 nan 0.000 0.426 96 V N 1.810 121.731 119.914 0.010 0.000 2.287 96 V HA -0.196 3.919 4.120 -0.009 0.000 0.248 96 V C 2.405 178.537 176.094 0.064 0.000 1.053 96 V CA 1.327 63.644 62.300 0.029 0.000 1.027 96 V CB -0.508 31.325 31.823 0.017 0.000 0.646 96 V HN 0.208 nan 8.190 nan 0.000 0.447 97 L N 0.538 121.801 121.223 0.066 0.000 2.056 97 L HA -0.121 4.214 4.340 -0.009 0.000 0.207 97 L C 2.641 179.543 176.870 0.053 0.000 1.078 97 L CA 1.876 56.753 54.840 0.061 0.000 0.749 97 L CB -0.588 41.495 42.059 0.040 0.000 0.901 97 L HN 0.540 nan 8.230 nan 0.000 0.433 98 S N -1.032 114.703 115.700 0.059 0.000 2.425 98 S HA 0.043 4.508 4.470 -0.009 0.000 0.225 98 S C 1.751 176.395 174.600 0.073 0.000 1.024 98 S CA 0.441 58.690 58.200 0.082 0.000 0.951 98 S CB -0.307 62.979 63.200 0.143 0.000 0.796 98 S HN 0.362 nan 8.310 nan 0.000 0.498 99 G N 1.464 110.305 108.800 0.069 0.000 2.682 99 G HA2 0.404 4.359 3.960 -0.009 0.000 0.221 99 G HA3 0.404 4.359 3.960 -0.009 0.000 0.221 99 G C 1.671 176.596 174.900 0.041 0.000 1.386 99 G CA 0.324 45.457 45.100 0.055 0.000 0.909 99 G HN 0.649 nan 8.290 nan 0.000 0.558 100 A N -0.385 122.456 122.820 0.036 0.000 1.940 100 A HA -0.087 4.228 4.320 -0.009 0.000 0.219 100 A C 2.355 179.959 177.584 0.034 0.000 1.176 100 A CA 2.037 54.092 52.037 0.031 0.000 0.631 100 A CB -0.891 18.127 19.000 0.028 0.000 0.814 100 A HN 0.428 nan 8.150 nan 0.000 0.446 101 C N -1.736 117.589 119.300 0.041 0.000 2.673 101 C HA 0.439 4.894 4.460 -0.009 0.000 0.264 101 C C 1.977 176.982 174.990 0.025 0.000 1.304 101 C CA 0.054 59.093 59.018 0.035 0.000 1.727 101 C CB -0.968 26.799 27.740 0.044 0.000 1.932 101 C HN 1.078 nan 8.230 nan 0.000 0.563 102 G N 1.255 110.074 108.800 0.031 0.000 2.225 102 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.267 102 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.267 102 G C -0.071 174.846 174.900 0.028 0.000 1.024 102 G CA 0.004 45.121 45.100 0.028 0.000 0.784 102 G HN 0.565 nan 8.290 nan 0.000 0.507 103 L N 0.217 121.461 121.223 0.034 0.000 2.349 103 L HA 0.419 4.754 4.340 -0.009 0.000 0.275 103 L C 0.627 177.523 176.870 0.044 0.000 1.115 103 L CA -0.577 54.283 54.840 0.034 0.000 0.820 103 L CB 0.900 42.979 42.059 0.034 0.000 1.135 103 L HN 0.130 nan 8.230 nan 0.000 0.445 104 Q N 2.471 122.295 119.800 0.039 0.000 2.248 104 Q HA 0.341 4.676 4.340 -0.009 0.000 0.263 104 Q C -0.426 175.605 176.000 0.052 0.000 1.007 104 Q CA -0.971 54.858 55.803 0.044 0.000 0.877 104 Q CB 1.489 30.246 28.738 0.031 0.000 1.315 104 Q HN 0.411 nan 8.270 nan 0.000 0.454 105 R N -0.150 120.385 120.500 0.059 0.000 2.494 105 R HA 0.058 4.393 4.340 -0.009 0.000 0.291 105 R C 0.830 177.167 176.300 0.061 0.000 0.953 105 R CA 1.732 57.873 56.100 0.069 0.000 1.098 105 R CB -0.372 29.963 30.300 0.059 0.000 0.911 105 R HN 0.932 nan 8.270 nan 0.000 0.407 106 G N 2.870 111.715 108.800 0.076 0.000 2.217 106 G HA2 -0.247 3.708 3.960 -0.009 0.000 0.246 106 G HA3 -0.247 3.708 3.960 -0.009 0.000 0.246 106 G C -0.323 174.598 174.900 0.036 0.000 0.990 106 G CA 0.196 45.331 45.100 0.058 0.000 0.627 106 G HN 0.674 nan 8.290 nan 0.000 0.522 107 D N 0.826 121.248 120.400 0.036 0.000 2.399 107 D HA 0.438 5.073 4.640 -0.009 0.000 0.241 107 D C 0.997 177.307 176.300 0.016 0.000 1.133 107 D CA 0.111 54.124 54.000 0.022 0.000 0.890 107 D CB 0.461 41.274 40.800 0.023 0.000 1.201 107 D HN 0.369 nan 8.370 nan 0.000 0.432 108 R N 0.912 121.413 120.500 0.002 0.000 2.254 108 R HA 0.457 4.792 4.340 -0.009 0.000 0.318 108 R C -0.846 175.454 176.300 0.000 0.000 1.031 108 R CA -0.667 55.429 56.100 -0.007 0.000 0.905 108 R CB 1.183 31.474 30.300 -0.015 0.000 1.050 108 R HN 0.119 nan 8.270 nan 0.000 0.456 109 V N 3.024 122.941 119.914 0.004 0.000 2.349 109 V HA 0.332 4.447 4.120 -0.009 0.000 0.284 109 V C 0.135 176.233 176.094 0.007 0.000 1.014 109 V CA -0.949 61.354 62.300 0.006 0.000 0.826 109 V CB 1.438 33.266 31.823 0.008 0.000 1.009 109 V HN 0.914 nan 8.190 nan 0.000 0.431 110 A N 4.902 127.730 122.820 0.012 0.000 2.440 110 A HA 0.667 4.981 4.320 -0.009 0.000 0.251 110 A C -0.275 177.316 177.584 0.012 0.000 1.089 110 A CA -0.123 51.930 52.037 0.026 0.000 0.779 110 A CB 0.588 19.611 19.000 0.040 0.000 1.022 110 A HN 0.755 nan 8.150 nan 0.000 0.492 111 V N 3.300 123.223 119.914 0.016 0.000 2.443 111 V HA 0.407 4.522 4.120 -0.009 0.000 0.293 111 V C -0.602 175.537 176.094 0.074 0.000 1.021 111 V CA -0.352 61.944 62.300 -0.007 0.000 0.848 111 V CB 1.626 33.371 31.823 -0.130 0.000 0.998 111 V HN 0.627 nan 8.190 nan 0.000 0.424 112 V N 7.032 126.988 119.914 0.071 0.000 2.383 112 V HA 0.484 4.599 4.120 -0.009 0.000 0.264 112 V C -0.403 175.728 176.094 0.061 0.000 1.001 112 V CA -0.098 62.246 62.300 0.073 0.000 0.828 112 V CB 0.966 32.823 31.823 0.058 0.000 1.069 112 V HN 0.651 nan 8.190 nan 0.000 0.451 113 L N 5.109 126.390 121.223 0.098 0.000 2.354 113 L HA 0.689 5.024 4.340 -0.009 0.000 0.264 113 L C -2.189 174.691 176.870 0.016 0.000 1.008 113 L CA -1.901 52.985 54.840 0.076 0.000 0.819 113 L CB 3.459 45.613 42.059 0.158 0.000 1.339 113 L HN 0.290 nan 8.230 nan 0.000 0.420 114 P HA 0.132 nan 4.420 nan 0.000 0.293 114 P C -0.844 176.484 177.300 0.047 0.000 1.298 114 P CA -0.535 62.569 63.100 0.007 0.000 0.757 114 P CB 0.449 32.179 31.700 0.050 0.000 1.262 115 R N 0.029 120.593 120.500 0.107 0.000 3.688 115 R HA 0.234 4.569 4.340 -0.009 0.000 0.194 115 R C -0.056 176.511 176.300 0.445 0.000 1.677 115 R CA -0.186 56.074 56.100 0.267 0.000 1.351 115 R CB -1.034 29.402 30.300 0.227 0.000 1.338 115 R HN 0.288 nan 8.270 nan 0.000 0.731 116 V N -1.397 118.719 119.914 0.338 0.000 2.815 116 V HA 0.445 4.560 4.120 -0.009 0.000 0.314 116 V C -2.176 173.945 176.094 0.046 0.000 1.064 116 V CA -2.477 59.848 62.300 0.041 0.000 0.952 116 V CB 2.151 33.954 31.823 -0.033 0.000 1.020 116 V HN 0.156 nan 8.190 nan 0.000 0.439 117 P HA -0.063 nan 4.420 nan 0.000 0.220 117 P C 1.165 178.498 177.300 0.055 0.000 1.148 117 P CA 1.212 64.195 63.100 -0.196 0.000 0.803 117 P CB 0.255 31.705 31.700 -0.417 0.000 0.782 118 E N -1.594 118.623 120.200 0.029 0.000 2.209 118 E HA -0.196 4.148 4.350 -0.009 0.000 0.196 118 E C 1.655 178.252 176.600 -0.005 0.000 0.993 118 E CA 0.901 57.319 56.400 0.029 0.000 0.819 118 E CB -0.972 28.712 29.700 -0.026 0.000 0.745 118 E HN 0.376 nan 8.360 nan 0.000 0.477 119 W N 0.116 121.376 121.300 -0.067 0.000 2.335 119 W HA -0.185 4.470 4.660 -0.009 0.000 0.311 119 W C 1.587 177.929 176.519 -0.294 0.000 1.213 119 W CA 1.513 58.712 57.345 -0.245 0.000 1.274 119 W CB -0.227 28.992 29.460 -0.402 0.000 1.148 119 W HN 0.099 nan 8.180 nan 0.000 0.498 120 W N 0.051 121.452 121.300 0.168 0.000 2.358 120 W HA -0.186 4.471 4.660 -0.006 0.000 0.303 120 W C 2.134 178.589 176.519 -0.107 0.000 1.208 120 W CA 1.131 58.531 57.345 0.091 0.000 1.274 120 W CB -1.190 28.389 29.460 0.197 0.000 1.138 120 W HN -0.023 nan 8.180 nan 0.000 0.515 121 L N -0.404 120.854 121.223 0.058 0.000 2.017 121 L HA -0.233 4.102 4.340 -0.009 0.000 0.208 121 L C 2.310 179.128 176.870 -0.087 0.000 1.073 121 L CA 0.967 55.799 54.840 -0.013 0.000 0.745 121 L CB -1.394 40.703 42.059 0.063 0.000 0.894 121 L HN -0.217 nan 8.230 nan 0.000 0.432 122 V N -0.145 119.630 119.914 -0.232 0.000 2.307 122 V HA -0.259 3.856 4.120 -0.009 0.000 0.245 122 V C 2.451 178.292 176.094 -0.421 0.000 1.045 122 V CA 1.308 63.411 62.300 -0.329 0.000 1.024 122 V CB -0.306 31.215 31.823 -0.503 0.000 0.651 122 V HN 0.256 nan 8.190 nan 0.000 0.449 123 I N -0.219 119.929 120.570 -0.704 0.000 2.163 123 I HA -0.240 3.924 4.170 -0.009 0.000 0.243 123 I C 2.403 178.200 176.117 -0.532 0.000 1.085 123 I CA 1.789 62.525 61.300 -0.941 0.000 1.347 123 I CB -1.180 35.910 38.000 -1.517 0.000 1.044 123 I HN 0.271 nan 8.210 nan 0.000 0.408 124 L N 0.410 121.468 121.223 -0.275 0.000 2.042 124 L HA -0.167 4.168 4.340 -0.009 0.000 0.210 124 L C 2.668 179.509 176.870 -0.049 0.000 1.076 124 L CA 1.562 56.374 54.840 -0.047 0.000 0.749 124 L CB -1.134 40.964 42.059 0.066 0.000 0.893 124 L HN 0.310 nan 8.230 nan 0.000 0.432 125 G N -0.825 107.919 108.800 -0.093 0.000 2.446 125 G HA2 -0.265 3.689 3.960 -0.009 0.000 0.217 125 G HA3 -0.265 3.689 3.960 -0.009 0.000 0.217 125 G C 1.630 176.487 174.900 -0.072 0.000 1.168 125 G CA 1.000 46.045 45.100 -0.092 0.000 0.771 125 G HN 0.410 nan 8.290 nan 0.000 0.551 126 C N 0.366 119.626 119.300 -0.067 0.000 2.413 126 C HA 0.007 4.462 4.460 -0.009 0.000 0.276 126 C C 2.861 177.945 174.990 0.157 0.000 1.236 126 C CA 0.594 59.635 59.018 0.038 0.000 1.735 126 C CB -1.025 26.754 27.740 0.066 0.000 2.031 126 C HN 0.482 nan 8.230 nan 0.000 0.474 127 I N 0.412 121.083 120.570 0.169 0.000 2.163 127 I HA -0.235 3.930 4.170 -0.009 0.000 0.243 127 I C 2.806 179.078 176.117 0.258 0.000 1.085 127 I CA 1.585 63.095 61.300 0.349 0.000 1.347 127 I CB -0.548 37.652 38.000 0.332 0.000 1.044 127 I HN 0.347 nan 8.210 nan 0.000 0.408 128 R N 0.651 121.229 120.500 0.129 0.000 2.096 128 R HA -0.096 4.238 4.340 -0.009 0.000 0.235 128 R C 2.120 178.521 176.300 0.168 0.000 1.127 128 R CA 1.518 57.680 56.100 0.104 0.000 0.968 128 R CB -0.335 29.946 30.300 -0.033 0.000 0.861 128 R HN 0.355 nan 8.270 nan 0.000 0.440 129 A N -0.142 122.730 122.820 0.087 0.000 2.275 129 A HA 0.245 4.560 4.320 -0.009 0.000 0.212 129 A C 1.223 178.900 177.584 0.155 0.000 1.201 129 A CA 0.588 52.710 52.037 0.141 0.000 0.843 129 A CB 0.115 19.142 19.000 0.046 0.000 0.873 129 A HN 0.431 nan 8.150 nan 0.000 0.492 130 G N -0.564 108.347 108.800 0.185 0.000 2.176 130 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.252 130 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.252 130 G C -0.072 174.959 174.900 0.220 0.000 1.024 130 G CA 0.485 45.715 45.100 0.217 0.000 0.755 130 G HN 0.510 nan 8.290 nan 0.000 0.507 131 L N -0.315 121.029 121.223 0.202 0.000 2.334 131 L HA 0.627 4.962 4.340 -0.009 0.000 0.275 131 L C 0.951 177.902 176.870 0.136 0.000 1.036 131 L CA -1.249 53.674 54.840 0.139 0.000 0.807 131 L CB 1.501 43.618 42.059 0.097 0.000 1.231 131 L HN -0.001 nan 8.230 nan 0.000 0.438 132 I N 2.980 123.579 120.570 0.048 0.000 2.322 132 I HA 0.141 4.305 4.170 -0.009 0.000 0.292 132 I C -0.193 175.887 176.117 -0.062 0.000 1.060 132 I CA -0.252 61.004 61.300 -0.073 0.000 1.309 132 I CB 0.154 38.094 38.000 -0.100 0.000 1.415 132 I HN 0.365 nan 8.210 nan 0.000 0.492 133 F N 5.681 125.561 119.950 -0.118 0.000 2.385 133 F HA 0.711 5.235 4.527 -0.006 0.000 0.336 133 F C -0.187 175.486 175.800 -0.211 0.000 1.100 133 F CA -1.028 56.869 58.000 -0.171 0.000 1.116 133 F CB 0.633 39.490 39.000 -0.238 0.000 1.166 133 F HN 0.225 nan 8.300 nan 0.000 0.511 134 M N 4.145 123.724 119.600 -0.035 0.000 1.949 134 M HA 0.332 4.807 4.480 -0.009 0.000 0.234 134 M C -2.899 173.377 176.300 -0.041 0.000 0.855 134 M CA -1.496 53.732 55.300 -0.119 0.000 0.800 134 M CB 1.341 33.930 32.600 -0.019 0.000 1.697 134 M HN 0.316 nan 8.290 nan 0.000 0.357 135 P HA 0.505 nan 4.420 nan 0.000 0.278 135 P C -0.065 177.308 177.300 0.122 0.000 1.238 135 P CA -0.063 63.089 63.100 0.087 0.000 0.794 135 P CB 1.297 33.156 31.700 0.265 0.000 0.955 136 G N -0.262 108.621 108.800 0.139 0.000 2.695 136 G HA2 0.501 4.456 3.960 -0.009 0.000 0.290 136 G HA3 0.501 4.456 3.960 -0.009 0.000 0.290 136 G C -1.345 173.597 174.900 0.069 0.000 1.410 136 G CA -0.482 44.690 45.100 0.119 0.000 0.844 136 G HN 0.451 nan 8.290 nan 0.000 0.478 137 T N 0.012 114.596 114.554 0.049 0.000 2.856 137 T HA 0.281 4.625 4.350 -0.009 0.000 0.292 137 T C 2.015 176.707 174.700 -0.013 0.000 0.980 137 T CA -0.155 61.937 62.100 -0.015 0.000 1.091 137 T CB 0.325 69.194 68.868 0.001 0.000 0.936 137 T HN 0.702 nan 8.240 nan 0.000 0.503 138 I N 2.102 122.649 120.570 -0.038 0.000 2.850 138 I HA -0.039 4.126 4.170 -0.009 0.000 0.266 138 I C 1.573 177.680 176.117 -0.017 0.000 1.257 138 I CA 0.797 62.084 61.300 -0.022 0.000 1.465 138 I CB -0.259 37.723 38.000 -0.030 0.000 1.091 138 I HN 0.453 nan 8.210 nan 0.000 0.467 139 Q N 1.044 120.832 119.800 -0.019 0.000 2.444 139 Q HA 0.253 4.588 4.340 -0.009 0.000 0.206 139 Q C 0.705 176.707 176.000 0.004 0.000 0.948 139 Q CA 0.293 56.093 55.803 -0.006 0.000 0.946 139 Q CB -0.134 28.602 28.738 -0.003 0.000 1.027 139 Q HN 0.614 nan 8.270 nan 0.000 0.513 140 M N 1.578 121.181 119.600 0.004 0.000 2.248 140 M HA 0.002 4.476 4.480 -0.009 0.000 0.345 140 M C 0.529 176.830 176.300 0.002 0.000 1.243 140 M CA 0.553 55.854 55.300 0.002 0.000 1.090 140 M CB 0.426 33.025 32.600 -0.002 0.000 1.683 140 M HN -0.283 nan 8.290 nan 0.000 0.450 141 K N 1.241 121.641 120.400 -0.001 0.000 2.138 141 K HA 0.151 4.466 4.320 -0.009 0.000 0.251 141 K C 1.215 177.819 176.600 0.008 0.000 1.015 141 K CA -0.003 56.285 56.287 0.003 0.000 0.917 141 K CB 0.493 32.992 32.500 -0.002 0.000 1.021 141 K HN 0.787 nan 8.250 nan 0.000 0.485 142 S N -0.125 115.584 115.700 0.014 0.000 2.400 142 S HA -0.156 4.308 4.470 -0.009 0.000 0.232 142 S C 1.729 176.343 174.600 0.023 0.000 1.025 142 S CA 1.782 59.995 58.200 0.023 0.000 0.993 142 S CB -0.476 62.740 63.200 0.027 0.000 0.808 142 S HN 0.583 nan 8.310 nan 0.000 0.478 143 T N 2.500 117.064 114.554 0.016 0.000 2.746 143 T HA -0.093 4.252 4.350 -0.009 0.000 0.267 143 T C 1.424 176.140 174.700 0.027 0.000 1.039 143 T CA 1.584 63.697 62.100 0.020 0.000 1.142 143 T CB -0.556 68.314 68.868 0.003 0.000 0.866 143 T HN 0.493 nan 8.240 nan 0.000 0.444 144 D N 1.078 121.479 120.400 0.002 0.000 2.097 144 D HA -0.005 4.630 4.640 -0.009 0.000 0.197 144 D C 2.168 178.469 176.300 0.002 0.000 0.984 144 D CA 0.841 54.834 54.000 -0.011 0.000 0.826 144 D CB -0.327 40.452 40.800 -0.035 0.000 0.973 144 D HN 0.362 nan 8.370 nan 0.000 0.460 145 I N 0.702 121.272 120.570 0.001 0.000 2.208 145 I HA -0.257 3.908 4.170 -0.009 0.000 0.245 145 I C 2.471 178.592 176.117 0.007 0.000 1.097 145 I CA 0.537 61.836 61.300 -0.001 0.000 1.363 145 I CB -0.195 37.818 38.000 0.022 0.000 1.051 145 I HN -0.002 nan 8.210 nan 0.000 0.413 146 L N 0.460 121.701 121.223 0.031 0.000 1.989 146 L HA -0.288 4.047 4.340 -0.009 0.000 0.211 146 L C 2.536 179.430 176.870 0.039 0.000 1.071 146 L CA 1.971 56.832 54.840 0.035 0.000 0.749 146 L CB -1.075 41.011 42.059 0.046 0.000 0.890 146 L HN 0.246 nan 8.230 nan 0.000 0.431 147 Y N 0.372 120.637 120.300 -0.057 0.000 2.114 147 Y HA -0.302 4.248 4.550 -0.001 0.000 0.282 147 Y C 2.695 178.542 175.900 -0.087 0.000 1.165 147 Y CA 2.222 60.286 58.100 -0.060 0.000 1.148 147 Y CB -0.172 38.240 38.460 -0.079 0.000 0.972 147 Y HN 0.171 nan 8.280 nan 0.000 0.504 148 R N -0.277 120.140 120.500 -0.138 0.000 2.073 148 R HA -0.080 4.255 4.340 -0.009 0.000 0.229 148 R C 2.336 178.586 176.300 -0.083 0.000 1.120 148 R CA 1.551 57.438 56.100 -0.354 0.000 0.967 148 R CB -0.456 29.480 30.300 -0.607 0.000 0.862 148 R HN 0.372 nan 8.270 nan 0.000 0.436 149 L N 0.743 121.935 121.223 -0.052 0.000 2.083 149 L HA -0.225 4.110 4.340 -0.009 0.000 0.209 149 L C 2.490 179.347 176.870 -0.021 0.000 1.083 149 L CA 1.481 56.315 54.840 -0.010 0.000 0.752 149 L CB -0.389 41.665 42.059 -0.008 0.000 0.899 149 L HN 0.291 nan 8.230 nan 0.000 0.433 150 Q N -1.041 118.725 119.800 -0.057 0.000 2.049 150 Q HA -0.151 4.183 4.340 -0.009 0.000 0.198 150 Q C 2.366 178.316 176.000 -0.084 0.000 0.971 150 Q CA 1.143 56.906 55.803 -0.067 0.000 0.833 150 Q CB -0.030 28.665 28.738 -0.073 0.000 0.896 150 Q HN 0.395 nan 8.270 nan 0.000 0.434 151 M N 0.418 119.927 119.600 -0.152 0.000 2.132 151 M HA -0.104 4.371 4.480 -0.009 0.000 0.263 151 M C 2.376 178.674 176.300 -0.004 0.000 1.065 151 M CA 1.558 56.778 55.300 -0.133 0.000 1.122 151 M CB -0.966 31.480 32.600 -0.256 0.000 1.365 151 M HN 0.194 nan 8.290 nan 0.000 0.411 152 S N -0.476 115.277 115.700 0.087 0.000 2.496 152 S HA -0.016 4.449 4.470 -0.009 0.000 0.224 152 S C 0.796 175.408 174.600 0.020 0.000 0.996 152 S CA 0.176 58.425 58.200 0.083 0.000 0.927 152 S CB -0.283 63.034 63.200 0.195 0.000 0.774 152 S HN 0.497 nan 8.310 nan 0.000 0.524 153 K N 0.780 121.183 120.400 0.005 0.000 3.071 153 K HA -0.149 4.166 4.320 -0.009 0.000 0.265 153 K C 0.156 176.753 176.600 -0.004 0.000 1.060 153 K CA 0.258 56.541 56.287 -0.008 0.000 0.767 153 K CB -2.592 29.899 32.500 -0.015 0.000 1.241 153 K HN 0.667 nan 8.250 nan 0.000 0.486 154 A N 1.255 124.079 122.820 0.006 0.000 2.546 154 A HA -0.021 4.294 4.320 -0.009 0.000 0.243 154 A C 1.108 178.685 177.584 -0.012 0.000 1.063 154 A CA 0.416 52.455 52.037 0.003 0.000 0.757 154 A CB 0.252 19.259 19.000 0.013 0.000 0.991 154 A HN 0.383 nan 8.150 nan 0.000 0.503 155 K N 1.012 121.405 120.400 -0.013 0.000 2.361 155 K HA 0.287 4.602 4.320 -0.009 0.000 0.196 155 K C 0.485 177.066 176.600 -0.032 0.000 1.039 155 K CA 1.048 57.323 56.287 -0.021 0.000 1.001 155 K CB 0.230 32.722 32.500 -0.013 0.000 0.795 155 K HN 0.791 nan 8.250 nan 0.000 0.495 156 A N 1.166 123.971 122.820 -0.026 0.000 2.539 156 A HA 0.658 4.973 4.320 -0.009 0.000 0.296 156 A C -1.698 175.872 177.584 -0.024 0.000 1.073 156 A CA -0.692 51.324 52.037 -0.035 0.000 0.700 156 A CB 1.450 20.439 19.000 -0.019 0.000 1.296 156 A HN 0.163 nan 8.150 nan 0.000 0.405 157 I N 1.511 122.063 120.570 -0.029 0.000 2.533 157 I HA 0.612 4.777 4.170 -0.009 0.000 0.290 157 I C -1.524 174.642 176.117 0.081 0.000 1.056 157 I CA -0.876 60.439 61.300 0.024 0.000 1.057 157 I CB 1.945 39.973 38.000 0.046 0.000 1.240 157 I HN 0.382 nan 8.210 nan 0.000 0.423 158 V N 7.467 127.421 119.914 0.066 0.000 2.357 158 V HA 0.870 4.985 4.120 -0.009 0.000 0.284 158 V C 0.112 176.250 176.094 0.073 0.000 1.018 158 V CA -0.231 62.098 62.300 0.048 0.000 0.841 158 V CB 0.749 32.508 31.823 -0.108 0.000 0.991 158 V HN 0.824 nan 8.190 nan 0.000 0.437 159 A N 3.712 126.609 122.820 0.128 0.000 2.594 159 A HA 0.982 5.297 4.320 -0.009 0.000 0.291 159 A C -0.034 177.509 177.584 -0.068 0.000 1.105 159 A CA -0.140 51.925 52.037 0.047 0.000 0.694 159 A CB 1.785 20.848 19.000 0.104 0.000 1.291 159 A HN 0.991 nan 8.150 nan 0.000 0.410 160 G N -0.913 107.833 108.800 -0.090 0.000 2.521 160 G HA2 0.470 4.425 3.960 -0.009 0.000 0.323 160 G HA3 0.470 4.425 3.960 -0.009 0.000 0.323 160 G C 0.072 174.863 174.900 -0.181 0.000 1.211 160 G CA 0.310 45.343 45.100 -0.111 0.000 0.979 160 G HN 0.813 nan 8.290 nan 0.000 0.490 161 D N -1.224 119.084 120.400 -0.153 0.000 2.348 161 D HA -0.054 4.581 4.640 -0.009 0.000 0.216 161 D C 1.449 177.666 176.300 -0.138 0.000 0.970 161 D CA 0.635 54.520 54.000 -0.191 0.000 0.889 161 D CB 0.162 40.873 40.800 -0.148 0.000 0.912 161 D HN 0.408 nan 8.370 nan 0.000 0.524 162 E N -0.542 119.605 120.200 -0.089 0.000 2.427 162 E HA -0.003 4.342 4.350 -0.009 0.000 0.196 162 E C 1.757 178.325 176.600 -0.053 0.000 1.028 162 E CA 0.545 56.912 56.400 -0.055 0.000 0.864 162 E CB 0.484 30.169 29.700 -0.025 0.000 0.813 162 E HN 0.386 nan 8.360 nan 0.000 0.514 163 V N -1.578 118.291 119.914 -0.075 0.000 3.477 163 V HA 0.148 4.263 4.120 -0.009 0.000 0.297 163 V C 1.599 177.663 176.094 -0.049 0.000 1.433 163 V CA 0.010 62.285 62.300 -0.041 0.000 1.052 163 V CB -0.393 31.425 31.823 -0.007 0.000 0.895 163 V HN 0.307 nan 8.190 nan 0.000 0.438 164 I N -0.991 119.473 120.570 -0.177 0.000 2.286 164 I HA -0.202 3.963 4.170 -0.009 0.000 0.248 164 I C 2.388 178.513 176.117 0.013 0.000 1.115 164 I CA 1.906 63.072 61.300 -0.224 0.000 1.392 164 I CB -0.689 36.813 38.000 -0.830 0.000 1.065 164 I HN 0.312 nan 8.210 nan 0.000 0.418 165 Q N 1.334 121.123 119.800 -0.019 0.000 2.084 165 Q HA -0.200 4.135 4.340 -0.009 0.000 0.202 165 Q C 2.213 178.250 176.000 0.062 0.000 0.978 165 Q CA 2.022 57.844 55.803 0.031 0.000 0.844 165 Q CB -0.193 28.548 28.738 0.006 0.000 0.898 165 Q HN 0.641 nan 8.270 nan 0.000 0.426 166 E N -0.042 120.188 120.200 0.050 0.000 2.077 166 E HA -0.175 4.170 4.350 -0.009 0.000 0.193 166 E C 2.121 178.774 176.600 0.088 0.000 0.989 166 E CA 1.387 57.821 56.400 0.057 0.000 0.800 166 E CB 0.001 29.726 29.700 0.041 0.000 0.746 166 E HN 0.143 nan 8.360 nan 0.000 0.452 167 V N 1.953 121.949 119.914 0.137 0.000 2.343 167 V HA -0.231 3.884 4.120 -0.009 0.000 0.247 167 V C 1.605 177.803 176.094 0.173 0.000 1.051 167 V CA 1.925 64.336 62.300 0.185 0.000 1.036 167 V CB -0.383 31.644 31.823 0.341 0.000 0.654 167 V HN 0.178 nan 8.190 nan 0.000 0.451 168 D N 0.063 120.593 120.400 0.217 0.000 2.312 168 D HA -0.097 4.538 4.640 -0.009 0.000 0.211 168 D C 2.321 178.680 176.300 0.099 0.000 0.964 168 D CA 1.577 55.684 54.000 0.178 0.000 0.877 168 D CB -0.177 40.767 40.800 0.240 0.000 0.924 168 D HN 0.649 nan 8.370 nan 0.000 0.515 169 T N -1.846 112.757 114.554 0.082 0.000 2.995 169 T HA -0.068 4.277 4.350 -0.009 0.000 0.269 169 T C 1.808 176.535 174.700 0.044 0.000 1.091 169 T CA 1.177 63.310 62.100 0.055 0.000 1.128 169 T CB -0.152 68.743 68.868 0.046 0.000 0.891 169 T HN 0.105 nan 8.240 nan 0.000 0.492 170 V N -2.475 117.467 119.914 0.047 0.000 3.604 170 V HA 0.717 4.832 4.120 -0.009 0.000 0.277 170 V C 2.627 178.734 176.094 0.021 0.000 1.399 170 V CA 0.143 62.463 62.300 0.033 0.000 1.034 170 V CB -0.723 31.121 31.823 0.034 0.000 0.824 170 V HN 0.409 nan 8.190 nan 0.000 0.439 171 A N 2.307 125.139 122.820 0.021 0.000 1.940 171 A HA -0.160 4.155 4.320 -0.009 0.000 0.219 171 A C 2.486 180.059 177.584 -0.019 0.000 1.176 171 A CA 2.418 54.449 52.037 -0.009 0.000 0.631 171 A CB -0.912 18.066 19.000 -0.037 0.000 0.814 171 A HN 1.041 nan 8.150 nan 0.000 0.446 172 S N -0.004 115.691 115.700 -0.008 0.000 2.469 172 S HA -0.135 4.330 4.470 -0.009 0.000 0.238 172 S C 1.163 175.758 174.600 -0.008 0.000 0.998 172 S CA 1.329 59.523 58.200 -0.010 0.000 0.957 172 S CB -0.416 62.783 63.200 -0.003 0.000 0.764 172 S HN 0.690 nan 8.310 nan 0.000 0.514 173 E N -0.179 120.019 120.200 -0.003 0.000 2.465 173 E HA 0.179 4.523 4.350 -0.009 0.000 0.191 173 E C -0.625 175.971 176.600 -0.007 0.000 1.053 173 E CA -0.233 56.166 56.400 -0.001 0.000 0.869 173 E CB 0.152 29.856 29.700 0.007 0.000 0.977 173 E HN 0.460 nan 8.360 nan 0.000 0.483 174 C N 2.425 121.717 119.300 -0.014 0.000 2.357 174 C HA 0.223 4.678 4.460 -0.009 0.000 0.300 174 C C -1.155 173.820 174.990 -0.024 0.000 1.074 174 C CA -1.421 57.586 59.018 -0.019 0.000 1.566 174 C CB 0.309 28.036 27.740 -0.022 0.000 1.791 174 C HN 0.318 nan 8.230 nan 0.000 0.415 175 P HA -0.063 nan 4.420 nan 0.000 0.223 175 P C 1.240 178.525 177.300 -0.024 0.000 1.151 175 P CA 1.220 64.308 63.100 -0.021 0.000 0.787 175 P CB 0.238 31.928 31.700 -0.016 0.000 0.788 176 S N -0.449 115.237 115.700 -0.024 0.000 2.489 176 S HA 0.011 4.476 4.470 -0.009 0.000 0.228 176 S C 0.898 175.479 174.600 -0.031 0.000 0.995 176 S CA -0.164 58.022 58.200 -0.024 0.000 0.934 176 S CB -0.627 62.561 63.200 -0.019 0.000 0.771 176 S HN 0.080 nan 8.310 nan 0.000 0.522 177 L N 2.798 123.998 121.223 -0.040 0.000 2.385 177 L HA 0.274 4.609 4.340 -0.009 0.000 0.281 177 L C 1.043 177.870 176.870 -0.072 0.000 1.106 177 L CA 0.308 55.114 54.840 -0.057 0.000 0.856 177 L CB 0.371 42.390 42.059 -0.067 0.000 1.186 177 L HN -0.037 nan 8.230 nan 0.000 0.453 178 R N 4.276 124.733 120.500 -0.072 0.000 2.287 178 R HA 0.331 4.666 4.340 -0.009 0.000 0.197 178 R C -0.248 175.993 176.300 -0.099 0.000 0.900 178 R CA -0.035 56.021 56.100 -0.074 0.000 1.052 178 R CB 0.590 30.862 30.300 -0.047 0.000 1.117 178 R HN 0.492 nan 8.270 nan 0.000 0.568 179 I N 2.302 122.808 120.570 -0.107 0.000 2.465 179 I HA 0.328 4.493 4.170 -0.009 0.000 0.291 179 I C -1.004 174.995 176.117 -0.197 0.000 1.014 179 I CA -0.665 60.563 61.300 -0.120 0.000 1.093 179 I CB 1.955 39.921 38.000 -0.056 0.000 1.267 179 I HN 0.052 nan 8.210 nan 0.000 0.431 180 K N 6.070 126.280 120.400 -0.316 0.000 2.483 180 K HA 0.493 4.808 4.320 -0.009 0.000 0.256 180 K C -1.194 175.331 176.600 -0.126 0.000 0.961 180 K CA -0.789 55.151 56.287 -0.579 0.000 0.873 180 K CB 2.502 34.041 32.500 -1.602 0.000 1.107 180 K HN 0.246 nan 8.250 nan 0.000 0.432 181 L N 4.725 126.056 121.223 0.180 0.000 2.298 181 L HA 0.413 4.748 4.340 -0.009 0.000 0.284 181 L C -1.471 175.661 176.870 0.437 0.000 1.013 181 L CA -0.950 54.064 54.840 0.291 0.000 0.824 181 L CB 1.172 43.325 42.059 0.156 0.000 1.221 181 L HN 0.514 nan 8.230 nan 0.000 0.418 182 L N 6.400 127.877 121.223 0.424 0.000 2.296 182 L HA 0.604 4.939 4.340 -0.009 0.000 0.286 182 L C -0.996 175.956 176.870 0.137 0.000 1.023 182 L CA -0.225 54.734 54.840 0.200 0.000 0.812 182 L CB 1.748 43.846 42.059 0.066 0.000 1.223 182 L HN 0.374 nan 8.230 nan 0.000 0.421 183 V N 4.930 124.867 119.914 0.038 0.000 2.318 183 V HA 0.722 4.837 4.120 -0.009 0.000 0.271 183 V C 0.080 176.188 176.094 0.024 0.000 1.030 183 V CA -0.062 62.279 62.300 0.069 0.000 0.844 183 V CB 0.437 32.241 31.823 -0.032 0.000 1.015 183 V HN 0.884 nan 8.190 nan 0.000 0.460 184 S N 2.791 118.520 115.700 0.047 0.000 2.587 184 S HA 0.405 4.870 4.470 -0.009 0.000 0.269 184 S C 0.287 174.904 174.600 0.027 0.000 1.154 184 S CA -0.569 57.636 58.200 0.009 0.000 0.824 184 S CB 2.090 65.266 63.200 -0.040 0.000 1.118 184 S HN 0.600 nan 8.310 nan 0.000 0.462 185 E N 1.254 121.464 120.200 0.016 0.000 2.427 185 E HA 0.160 4.505 4.350 -0.009 0.000 0.196 185 E C -0.055 176.553 176.600 0.013 0.000 1.028 185 E CA 0.810 57.221 56.400 0.019 0.000 0.864 185 E CB 0.034 29.745 29.700 0.019 0.000 0.813 185 E HN 0.428 nan 8.360 nan 0.000 0.514 186 K N 0.239 120.641 120.400 0.004 0.000 2.295 186 K HA 0.397 4.712 4.320 -0.009 0.000 0.239 186 K C -0.020 176.582 176.600 0.004 0.000 0.991 186 K CA -0.625 55.662 56.287 0.001 0.000 0.845 186 K CB 1.805 34.299 32.500 -0.011 0.000 1.197 186 K HN -0.097 nan 8.250 nan 0.000 0.441 187 S N -0.821 114.887 115.700 0.014 0.000 2.651 187 S HA 0.542 5.007 4.470 -0.009 0.000 0.291 187 S C -0.610 174.005 174.600 0.026 0.000 1.141 187 S CA -0.824 57.396 58.200 0.034 0.000 1.027 187 S CB 1.449 64.677 63.200 0.047 0.000 1.043 187 S HN 0.669 nan 8.310 nan 0.000 0.530 188 C N 2.039 121.377 119.300 0.063 0.000 2.551 188 C HA 0.495 4.950 4.460 -0.009 0.000 0.332 188 C C -1.072 174.035 174.990 0.194 0.000 1.139 188 C CA -0.674 58.390 59.018 0.077 0.000 1.328 188 C CB 0.193 27.906 27.740 -0.046 0.000 1.903 188 C HN 0.977 nan 8.230 nan 0.000 0.459 189 D N 2.591 123.085 120.400 0.156 0.000 2.488 189 D HA 0.408 5.043 4.640 -0.009 0.000 0.238 189 D C 1.259 177.684 176.300 0.208 0.000 1.138 189 D CA 2.155 56.244 54.000 0.148 0.000 0.873 189 D CB 0.754 41.611 40.800 0.096 0.000 1.183 189 D HN 1.282 nan 8.370 nan 0.000 0.458 190 G N 1.273 110.152 108.800 0.132 0.000 2.225 190 G HA2 -0.263 3.692 3.960 -0.009 0.000 0.254 190 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.254 190 G C -0.284 174.574 174.900 -0.069 0.000 0.988 190 G CA -0.203 44.916 45.100 0.032 0.000 0.625 190 G HN 0.422 nan 8.290 nan 0.000 0.527 191 W N 1.029 122.342 121.300 0.022 0.000 2.529 191 W HA 0.753 5.409 4.660 -0.006 0.000 0.321 191 W C 0.580 177.120 176.519 0.034 0.000 1.047 191 W CA -1.027 56.334 57.345 0.027 0.000 1.216 191 W CB 0.871 30.348 29.460 0.028 0.000 1.357 191 W HN 0.066 nan 8.180 nan 0.000 0.489 192 L N 3.651 125.005 121.223 0.218 0.000 2.456 192 L HA 0.085 4.420 4.340 -0.009 0.000 0.272 192 L C 0.799 177.799 176.870 0.217 0.000 1.189 192 L CA -0.213 54.730 54.840 0.171 0.000 0.846 192 L CB 0.293 42.424 42.059 0.119 0.000 1.111 192 L HN 0.388 nan 8.230 nan 0.000 0.475 193 N N 2.247 121.041 118.700 0.158 0.000 2.555 193 N HA -0.019 4.716 4.740 -0.009 0.000 0.244 193 N C 0.566 176.165 175.510 0.148 0.000 1.114 193 N CA -0.050 53.087 53.050 0.145 0.000 0.963 193 N CB 0.281 38.819 38.487 0.086 0.000 1.276 193 N HN 0.516 nan 8.380 nan 0.000 0.510 194 F N 4.355 124.340 119.950 0.059 0.000 2.091 194 F HA -0.188 4.334 4.527 -0.008 0.000 0.299 194 F C 1.724 177.541 175.800 0.027 0.000 1.103 194 F CA 1.752 59.776 58.000 0.040 0.000 1.228 194 F CB 0.231 39.254 39.000 0.038 0.000 0.984 194 F HN 0.425 nan 8.300 nan 0.000 0.477 195 K N -0.157 120.258 120.400 0.026 0.000 2.097 195 K HA -0.170 4.145 4.320 -0.009 0.000 0.205 195 K C 2.387 178.905 176.600 -0.137 0.000 1.050 195 K CA 1.477 57.706 56.287 -0.097 0.000 0.938 195 K CB -0.300 32.230 32.500 0.050 0.000 0.718 195 K HN 0.093 nan 8.250 nan 0.000 0.442 196 K N 1.353 121.711 120.400 -0.069 0.000 2.057 196 K HA -0.029 4.286 4.320 -0.009 0.000 0.206 196 K C 2.069 178.613 176.600 -0.093 0.000 1.050 196 K CA 0.844 57.095 56.287 -0.060 0.000 0.935 196 K CB -0.550 31.939 32.500 -0.018 0.000 0.715 196 K HN 0.199 nan 8.250 nan 0.000 0.439 197 L N 0.162 121.316 121.223 -0.115 0.000 2.046 197 L HA -0.075 4.260 4.340 -0.009 0.000 0.208 197 L C 2.590 179.345 176.870 -0.192 0.000 1.077 197 L CA 1.214 55.983 54.840 -0.119 0.000 0.747 197 L CB -0.501 41.510 42.059 -0.080 0.000 0.896 197 L HN 0.238 nan 8.230 nan 0.000 0.432 198 L N 0.577 121.583 121.223 -0.361 0.000 2.042 198 L HA -0.244 4.091 4.340 -0.009 0.000 0.210 198 L C 2.196 178.947 176.870 -0.198 0.000 1.076 198 L CA 1.965 56.570 54.840 -0.392 0.000 0.749 198 L CB -0.640 41.027 42.059 -0.654 0.000 0.893 198 L HN 0.292 nan 8.230 nan 0.000 0.432 199 N N -0.520 118.087 118.700 -0.154 0.000 2.331 199 N HA -0.172 4.562 4.740 -0.009 0.000 0.180 199 N C 1.659 177.129 175.510 -0.067 0.000 1.019 199 N CA 1.279 54.275 53.050 -0.089 0.000 0.881 199 N CB -0.014 38.431 38.487 -0.070 0.000 0.972 199 N HN 0.511 nan 8.380 nan 0.000 0.435 200 E N -0.473 119.686 120.200 -0.070 0.000 2.358 200 E HA 0.105 4.450 4.350 -0.009 0.000 0.195 200 E C 0.220 176.796 176.600 -0.040 0.000 1.010 200 E CA 0.203 56.575 56.400 -0.046 0.000 0.856 200 E CB 0.106 29.782 29.700 -0.040 0.000 0.795 200 E HN 0.401 nan 8.360 nan 0.000 0.504 201 A N 1.200 123.988 122.820 -0.053 0.000 2.351 201 A HA 0.232 4.547 4.320 -0.009 0.000 0.257 201 A C 0.261 177.831 177.584 -0.023 0.000 1.087 201 A CA -0.318 51.697 52.037 -0.036 0.000 0.798 201 A CB 0.930 19.899 19.000 -0.051 0.000 1.033 201 A HN 0.075 nan 8.150 nan 0.000 0.488 202 S N -0.191 115.504 115.700 -0.007 0.000 2.560 202 S HA 0.193 4.658 4.470 -0.009 0.000 0.284 202 S C 1.471 176.067 174.600 -0.006 0.000 1.327 202 S CA 0.254 58.450 58.200 -0.006 0.000 1.055 202 S CB 0.198 63.398 63.200 0.000 0.000 0.868 202 S HN 1.127 nan 8.310 nan 0.000 0.506 203 T N 1.352 115.900 114.554 -0.010 0.000 3.148 203 T HA 0.134 4.479 4.350 -0.009 0.000 0.253 203 T C 0.510 175.201 174.700 -0.015 0.000 1.134 203 T CA 0.064 62.160 62.100 -0.006 0.000 1.051 203 T CB -0.344 68.521 68.868 -0.004 0.000 0.959 203 T HN 0.490 nan 8.240 nan 0.000 0.525 204 T N 2.862 117.392 114.554 -0.039 0.000 2.758 204 T HA 0.336 4.681 4.350 -0.009 0.000 0.285 204 T C -1.015 173.599 174.700 -0.144 0.000 0.981 204 T CA -0.579 61.457 62.100 -0.106 0.000 0.965 204 T CB 0.895 69.680 68.868 -0.139 0.000 0.927 204 T HN 0.394 nan 8.240 nan 0.000 0.448 205 H N 2.714 121.627 119.070 -0.263 0.000 2.667 205 H HA 0.278 4.829 4.556 -0.009 0.000 0.353 205 H C -0.947 174.193 175.328 -0.314 0.000 1.072 205 H CA -0.624 55.272 56.048 -0.254 0.000 1.214 205 H CB 0.977 30.685 29.762 -0.090 0.000 1.600 205 H HN 0.701 nan 8.280 nan 0.000 0.527 206 H N 3.537 122.257 119.070 -0.582 0.000 2.969 206 H HA 0.111 4.661 4.556 -0.009 0.000 0.269 206 H C 0.487 175.590 175.328 -0.375 0.000 1.223 206 H CA -0.135 55.699 56.048 -0.357 0.000 1.400 206 H CB -0.129 29.477 29.762 -0.260 0.000 1.500 206 H HN 0.430 nan 8.280 nan 0.000 0.486 207 C N 4.587 123.881 119.300 -0.009 0.000 2.538 207 C HA -0.006 4.449 4.460 -0.009 0.000 0.408 207 C C 0.892 175.910 174.990 0.047 0.000 1.421 207 C CA -0.475 58.612 59.018 0.116 0.000 1.642 207 C CB -1.077 26.711 27.740 0.080 0.000 2.553 207 C HN 0.603 nan 8.230 nan 0.000 0.604 208 V N 6.943 126.907 119.914 0.082 0.000 2.740 208 V HA 0.058 4.173 4.120 -0.009 0.000 0.303 208 V C 0.838 176.899 176.094 -0.055 0.000 1.054 208 V CA 0.422 62.730 62.300 0.013 0.000 1.106 208 V CB 0.925 32.767 31.823 0.031 0.000 0.957 208 V HN 0.878 nan 8.190 nan 0.000 0.486 209 E N 3.243 123.406 120.200 -0.061 0.000 1.979 209 E HA 0.100 4.445 4.350 -0.009 0.000 0.285 209 E C 0.234 176.765 176.600 -0.115 0.000 1.188 209 E CA -0.432 55.919 56.400 -0.081 0.000 1.214 209 E CB -0.012 29.658 29.700 -0.051 0.000 1.210 209 E HN 0.898 nan 8.360 nan 0.000 0.477 210 T N -0.257 114.162 114.554 -0.224 0.000 2.918 210 T HA 0.352 4.696 4.350 -0.009 0.000 0.302 210 T C 0.767 175.351 174.700 -0.193 0.000 1.045 210 T CA -0.637 61.251 62.100 -0.355 0.000 1.114 210 T CB 1.611 69.848 68.868 -1.051 0.000 0.965 210 T HN 0.264 nan 8.240 nan 0.000 0.540 211 G N 1.042 109.800 108.800 -0.068 0.000 2.467 211 G HA2 0.363 4.318 3.960 -0.009 0.000 0.257 211 G HA3 0.363 4.318 3.960 -0.009 0.000 0.257 211 G C 0.912 175.908 174.900 0.160 0.000 1.227 211 G CA -0.791 44.339 45.100 0.049 0.000 0.835 211 G HN 0.732 nan 8.290 nan 0.000 0.556 212 S N 0.530 116.338 115.700 0.179 0.000 2.400 212 S HA -0.116 4.348 4.470 -0.009 0.000 0.232 212 S C 2.086 176.809 174.600 0.206 0.000 1.025 212 S CA 1.169 59.512 58.200 0.238 0.000 0.993 212 S CB -0.013 63.279 63.200 0.153 0.000 0.808 212 S HN 0.624 nan 8.310 nan 0.000 0.478 213 Q N 0.463 120.351 119.800 0.147 0.000 2.282 213 Q HA 0.252 4.587 4.340 -0.009 0.000 0.206 213 Q C 0.372 176.442 176.000 0.116 0.000 0.878 213 Q CA -0.015 55.846 55.803 0.097 0.000 0.944 213 Q CB 0.042 28.809 28.738 0.049 0.000 1.100 213 Q HN 0.626 nan 8.270 nan 0.000 0.509 214 E N 1.032 121.356 120.200 0.206 0.000 2.384 214 E HA 0.293 4.638 4.350 -0.009 0.000 0.266 214 E C -0.602 176.126 176.600 0.214 0.000 1.012 214 E CA -0.233 56.306 56.400 0.233 0.000 0.901 214 E CB 0.725 30.603 29.700 0.296 0.000 0.967 214 E HN 0.171 nan 8.360 nan 0.000 0.435 215 A N 3.540 126.412 122.820 0.088 0.000 2.520 215 A HA 0.050 4.365 4.320 -0.009 0.000 0.245 215 A C 0.761 178.239 177.584 -0.176 0.000 1.072 215 A CA 0.551 52.560 52.037 -0.047 0.000 0.761 215 A CB 0.793 19.762 19.000 -0.051 0.000 1.004 215 A HN 0.650 nan 8.150 nan 0.000 0.499 216 S N 0.964 116.401 115.700 -0.438 0.000 2.665 216 S HA 0.549 5.014 4.470 -0.009 0.000 0.240 216 S C 0.523 174.700 174.600 -0.705 0.000 1.081 216 S CA 0.885 58.649 58.200 -0.727 0.000 0.887 216 S CB 0.003 62.538 63.200 -1.109 0.000 0.805 216 S HN 1.783 nan 8.310 nan 0.000 0.486 217 A N 0.645 123.086 122.820 -0.633 0.000 2.572 217 A HA 0.772 5.087 4.320 -0.009 0.000 0.295 217 A C -1.609 175.770 177.584 -0.342 0.000 1.072 217 A CA -0.612 50.935 52.037 -0.817 0.000 0.691 217 A CB 1.096 19.442 19.000 -1.090 0.000 1.291 217 A HN 0.372 nan 8.150 nan 0.000 0.404 218 I N 1.228 121.594 120.570 -0.341 0.000 2.447 218 I HA 0.363 4.528 4.170 -0.009 0.000 0.287 218 I C -1.585 174.405 176.117 -0.212 0.000 1.023 218 I CA -0.304 60.887 61.300 -0.182 0.000 1.083 218 I CB 1.641 39.524 38.000 -0.196 0.000 1.245 218 I HN 0.649 nan 8.210 nan 0.000 0.434 219 Y N 5.338 125.636 120.300 -0.004 0.000 2.335 219 Y HA 0.447 4.992 4.550 -0.008 0.000 0.338 219 Y C -0.173 175.761 175.900 0.056 0.000 0.977 219 Y CA -0.472 57.691 58.100 0.105 0.000 1.114 219 Y CB 1.460 40.006 38.460 0.144 0.000 1.182 219 Y HN 0.327 nan 8.280 nan 0.000 0.463 220 F N 1.940 122.029 119.950 0.233 0.000 2.443 220 F HA 0.183 4.703 4.527 -0.012 0.000 0.353 220 F C 1.172 177.090 175.800 0.197 0.000 1.101 220 F CA -0.500 57.622 58.000 0.202 0.000 1.226 220 F CB 0.815 39.919 39.000 0.173 0.000 1.140 220 F HN 0.452 nan 8.300 nan 0.000 0.557 221 T N -0.842 113.890 114.554 0.297 0.000 2.748 221 T HA 0.055 4.400 4.350 -0.009 0.000 0.304 221 T C 1.168 175.964 174.700 0.160 0.000 1.041 221 T CA -0.610 61.600 62.100 0.184 0.000 1.033 221 T CB 0.894 69.838 68.868 0.127 0.000 0.995 221 T HN 0.553 nan 8.240 nan 0.000 0.536 222 S N 0.358 116.097 115.700 0.065 0.000 2.453 222 S HA 0.250 4.715 4.470 -0.009 0.000 0.231 222 S C 1.835 176.447 174.600 0.018 0.000 1.005 222 S CA 0.666 58.880 58.200 0.024 0.000 0.949 222 S CB -0.765 62.396 63.200 -0.065 0.000 0.774 222 S HN 1.563 nan 8.310 nan 0.000 0.510 223 G N 0.696 109.508 108.800 0.019 0.000 2.131 223 G HA2 -0.273 3.682 3.960 -0.009 0.000 0.223 223 G HA3 -0.273 3.682 3.960 -0.009 0.000 0.223 223 G C 0.702 175.585 174.900 -0.029 0.000 0.990 223 G CA 0.589 45.685 45.100 -0.007 0.000 0.671 223 G HN 0.432 nan 8.290 nan 0.000 0.521 224 T N 0.756 115.293 114.554 -0.029 0.000 2.746 224 T HA -0.050 4.295 4.350 -0.009 0.000 0.267 224 T C 2.572 177.252 174.700 -0.033 0.000 1.039 224 T CA 2.444 64.523 62.100 -0.034 0.000 1.142 224 T CB -0.221 68.627 68.868 -0.034 0.000 0.866 224 T HN 1.251 nan 8.240 nan 0.000 0.444 225 S N -0.251 115.430 115.700 -0.031 0.000 2.540 225 S HA 0.567 5.032 4.470 -0.009 0.000 0.218 225 S C 0.782 175.355 174.600 -0.045 0.000 0.977 225 S CA 0.081 58.259 58.200 -0.037 0.000 0.918 225 S CB 0.679 63.858 63.200 -0.035 0.000 0.806 225 S HN 0.696 nan 8.310 nan 0.000 0.496 226 G N 0.515 109.289 108.800 -0.044 0.000 2.327 226 G HA2 0.321 4.276 3.960 -0.009 0.000 0.291 226 G HA3 0.321 4.276 3.960 -0.009 0.000 0.291 226 G C -1.505 173.369 174.900 -0.044 0.000 1.290 226 G CA -1.144 43.928 45.100 -0.047 0.000 0.857 226 G HN 0.262 nan 8.290 nan 0.000 0.520 227 L N 1.697 122.895 121.223 -0.042 0.000 2.514 227 L HA 0.220 4.555 4.340 -0.009 0.000 0.280 227 L C -1.626 175.268 176.870 0.039 0.000 1.223 227 L CA -1.013 53.801 54.840 -0.043 0.000 0.864 227 L CB 0.402 42.461 42.059 -0.000 0.000 1.118 227 L HN 0.266 nan 8.230 nan 0.000 0.494 228 P HA 0.046 nan 4.420 nan 0.000 0.264 228 P C -1.099 176.392 177.300 0.319 0.000 1.183 228 P CA 0.172 63.414 63.100 0.237 0.000 0.763 228 P CB 0.414 32.327 31.700 0.356 0.000 0.807 229 K N 2.452 122.961 120.400 0.181 0.000 2.123 229 K HA 0.472 4.787 4.320 -0.009 0.000 0.259 229 K C 0.070 176.686 176.600 0.027 0.000 0.960 229 K CA -0.628 55.691 56.287 0.053 0.000 0.872 229 K CB 1.111 33.498 32.500 -0.188 0.000 1.079 229 K HN 0.424 nan 8.250 nan 0.000 0.440 230 M N 2.469 122.009 119.600 -0.099 0.000 2.135 230 M HA 0.194 4.669 4.480 -0.009 0.000 0.345 230 M C -0.423 175.929 176.300 0.085 0.000 1.340 230 M CA -0.368 54.752 55.300 -0.300 0.000 1.162 230 M CB 1.023 33.357 32.600 -0.443 0.000 1.570 230 M HN 0.622 nan 8.290 nan 0.000 0.454 231 A N 3.895 126.802 122.820 0.145 0.000 2.260 231 A HA 0.325 4.639 4.320 -0.009 0.000 0.312 231 A C -0.215 177.477 177.584 0.180 0.000 1.321 231 A CA -0.564 51.665 52.037 0.321 0.000 0.928 231 A CB 0.242 19.381 19.000 0.231 0.000 1.158 231 A HN 0.796 nan 8.150 nan 0.000 0.542 232 E N 2.743 122.977 120.200 0.057 0.000 2.229 232 E HA 0.273 4.618 4.350 -0.009 0.000 0.283 232 E C -0.829 175.685 176.600 -0.143 0.000 1.030 232 E CA -0.357 56.000 56.400 -0.071 0.000 0.836 232 E CB 0.459 30.070 29.700 -0.149 0.000 1.068 232 E HN 0.786 nan 8.360 nan 0.000 0.401 233 H N 1.502 120.551 119.070 -0.036 0.000 2.621 233 H HA 0.285 4.836 4.556 -0.007 0.000 0.360 233 H C -0.206 175.043 175.328 -0.132 0.000 1.163 233 H CA -0.575 55.445 56.048 -0.045 0.000 1.194 233 H CB 2.035 31.787 29.762 -0.017 0.000 1.649 233 H HN 0.641 nan 8.280 nan 0.000 0.532 234 S N 0.729 116.454 115.700 0.042 0.000 2.745 234 S HA 0.172 4.637 4.470 -0.009 0.000 0.292 234 S C 0.855 175.441 174.600 -0.023 0.000 1.133 234 S CA -0.644 57.547 58.200 -0.015 0.000 0.998 234 S CB 0.679 63.911 63.200 0.055 0.000 1.087 234 S HN 0.549 nan 8.310 nan 0.000 0.551 235 Y N 1.139 121.544 120.300 0.176 0.000 2.207 235 Y HA -0.154 4.390 4.550 -0.009 0.000 0.287 235 Y C 3.148 179.252 175.900 0.339 0.000 1.156 235 Y CA 1.920 60.200 58.100 0.299 0.000 1.182 235 Y CB -0.569 38.090 38.460 0.331 0.000 0.979 235 Y HN 0.836 nan 8.280 nan 0.000 0.521 236 S N -1.464 114.403 115.700 0.277 0.000 2.439 236 S HA -0.119 4.346 4.470 -0.009 0.000 0.224 236 S C 2.099 176.686 174.600 -0.021 0.000 1.029 236 S CA 0.569 58.764 58.200 -0.008 0.000 0.946 236 S CB -0.833 62.315 63.200 -0.087 0.000 0.797 236 S HN 0.449 nan 8.310 nan 0.000 0.504 237 S N 1.872 117.605 115.700 0.056 0.000 2.423 237 S HA 0.114 4.579 4.470 -0.009 0.000 0.231 237 S C 1.719 176.353 174.600 0.057 0.000 1.014 237 S CA 0.736 58.989 58.200 0.089 0.000 0.965 237 S CB -0.665 62.668 63.200 0.223 0.000 0.785 237 S HN 0.529 nan 8.310 nan 0.000 0.495 238 L N 0.513 121.760 121.223 0.040 0.000 2.187 238 L HA 0.327 4.661 4.340 -0.009 0.000 0.197 238 L C 3.011 179.916 176.870 0.058 0.000 1.090 238 L CA 0.853 55.678 54.840 -0.025 0.000 0.781 238 L CB -1.124 40.924 42.059 -0.018 0.000 0.956 238 L HN 0.455 nan 8.230 nan 0.000 0.463 239 G N -0.084 108.851 108.800 0.225 0.000 2.403 239 G HA2 -0.186 3.769 3.960 -0.009 0.000 0.216 239 G HA3 -0.186 3.769 3.960 -0.009 0.000 0.216 239 G C 1.499 176.633 174.900 0.390 0.000 1.154 239 G CA 0.400 45.808 45.100 0.514 0.000 0.784 239 G HN 0.113 nan 8.290 nan 0.000 0.538 240 L N 0.560 121.679 121.223 -0.172 0.000 2.095 240 L HA 0.268 4.603 4.340 -0.009 0.000 0.204 240 L C 2.590 179.373 176.870 -0.144 0.000 1.080 240 L CA 1.828 56.385 54.840 -0.472 0.000 0.759 240 L CB -0.511 41.021 42.059 -0.878 0.000 0.914 240 L HN 0.152 nan 8.230 nan 0.000 0.439 241 K N 0.411 120.745 120.400 -0.111 0.000 2.044 241 K HA -0.154 4.161 4.320 -0.009 0.000 0.210 241 K C 1.995 178.580 176.600 -0.025 0.000 1.049 241 K CA 2.045 58.276 56.287 -0.093 0.000 0.927 241 K CB -0.789 31.648 32.500 -0.104 0.000 0.713 241 K HN 0.380 nan 8.250 nan 0.000 0.443 242 A N 0.779 123.625 122.820 0.045 0.000 1.902 242 A HA -0.197 4.117 4.320 -0.009 0.000 0.217 242 A C 2.176 179.881 177.584 0.201 0.000 1.181 242 A CA 1.999 54.105 52.037 0.115 0.000 0.623 242 A CB -0.633 18.439 19.000 0.120 0.000 0.818 242 A HN 0.458 nan 8.150 nan 0.000 0.443 243 K N -0.875 119.678 120.400 0.255 0.000 2.103 243 K HA -0.137 4.177 4.320 -0.009 0.000 0.207 243 K C 1.999 178.692 176.600 0.156 0.000 1.048 243 K CA 1.845 58.289 56.287 0.261 0.000 0.930 243 K CB -0.238 32.433 32.500 0.285 0.000 0.716 243 K HN 0.551 nan 8.250 nan 0.000 0.444 244 M N 0.376 120.023 119.600 0.078 0.000 2.254 244 M HA -0.111 4.364 4.480 -0.009 0.000 0.265 244 M C 1.177 177.508 176.300 0.051 0.000 1.066 244 M CA 1.171 56.492 55.300 0.035 0.000 1.123 244 M CB 0.064 32.644 32.600 -0.034 0.000 1.388 244 M HN 0.026 nan 8.290 nan 0.000 0.425 245 D N 0.970 121.408 120.400 0.062 0.000 2.289 245 D HA 0.115 4.750 4.640 -0.009 0.000 0.207 245 D C 0.558 177.022 176.300 0.273 0.000 0.966 245 D CA 0.337 54.402 54.000 0.108 0.000 0.868 245 D CB -0.054 40.776 40.800 0.050 0.000 0.943 245 D HN 0.207 nan 8.370 nan 0.000 0.514 246 A N -0.095 122.867 122.820 0.238 0.000 2.546 246 A HA 0.405 4.720 4.320 -0.009 0.000 0.243 246 A C 1.514 179.221 177.584 0.205 0.000 1.063 246 A CA 0.926 53.112 52.037 0.248 0.000 0.757 246 A CB -0.012 19.135 19.000 0.244 0.000 0.991 246 A HN 0.354 nan 8.150 nan 0.000 0.503 247 G N 1.309 110.197 108.800 0.147 0.000 2.195 247 G HA2 -0.254 3.700 3.960 -0.009 0.000 0.224 247 G HA3 -0.254 3.700 3.960 -0.009 0.000 0.224 247 G C 0.906 175.846 174.900 0.067 0.000 0.990 247 G CA 0.703 45.852 45.100 0.081 0.000 0.639 247 G HN 1.616 nan 8.290 nan 0.000 0.514 248 W N 1.870 123.198 121.300 0.047 0.000 2.392 248 W HA -0.065 4.590 4.660 -0.008 0.000 0.279 248 W C 1.613 178.155 176.519 0.039 0.000 1.225 248 W CA 2.202 59.568 57.345 0.034 0.000 1.233 248 W CB -1.578 27.892 29.460 0.018 0.000 1.122 248 W HN 0.696 nan 8.180 nan 0.000 0.561 249 T N -2.261 111.795 114.554 -0.830 0.000 3.085 249 T HA 0.283 4.628 4.350 -0.009 0.000 0.263 249 T C 1.823 176.349 174.700 -0.290 0.000 1.127 249 T CA 1.413 63.039 62.100 -0.791 0.000 1.103 249 T CB -0.569 67.772 68.868 -0.879 0.000 0.921 249 T HN 0.586 nan 8.240 nan 0.000 0.510 250 G N 0.631 109.337 108.800 -0.157 0.000 2.175 250 G HA2 -0.194 3.761 3.960 -0.009 0.000 0.244 250 G HA3 -0.194 3.761 3.960 -0.009 0.000 0.244 250 G C -0.111 174.764 174.900 -0.042 0.000 0.982 250 G CA -0.041 45.026 45.100 -0.056 0.000 0.641 250 G HN 0.733 nan 8.290 nan 0.000 0.527 251 L N 1.226 122.405 121.223 -0.074 0.000 2.514 251 L HA 0.526 4.861 4.340 -0.009 0.000 0.280 251 L C 0.538 177.419 176.870 0.019 0.000 1.223 251 L CA 0.820 55.647 54.840 -0.022 0.000 0.864 251 L CB 0.525 42.565 42.059 -0.031 0.000 1.118 251 L HN 0.461 nan 8.230 nan 0.000 0.494 252 Q N 2.809 122.633 119.800 0.039 0.000 2.496 252 Q HA 0.539 4.874 4.340 -0.009 0.000 0.286 252 Q C 0.797 176.825 176.000 0.047 0.000 1.103 252 Q CA -0.360 55.472 55.803 0.049 0.000 0.813 252 Q CB 1.547 30.314 28.738 0.048 0.000 1.444 252 Q HN 0.763 nan 8.270 nan 0.000 0.443 253 A N 0.302 123.140 122.820 0.029 0.000 1.986 253 A HA -0.149 4.166 4.320 -0.009 0.000 0.220 253 A C 1.489 179.073 177.584 -0.001 0.000 1.171 253 A CA 2.025 54.041 52.037 -0.035 0.000 0.640 253 A CB -0.261 18.703 19.000 -0.059 0.000 0.811 253 A HN 0.515 nan 8.150 nan 0.000 0.451 254 S N 0.073 115.801 115.700 0.047 0.000 2.597 254 S HA 0.152 4.617 4.470 -0.009 0.000 0.224 254 S C -0.428 174.243 174.600 0.118 0.000 0.955 254 S CA -0.351 57.896 58.200 0.078 0.000 0.933 254 S CB -0.135 63.112 63.200 0.077 0.000 0.788 254 S HN 0.541 nan 8.310 nan 0.000 0.488 255 D N 0.716 121.188 120.400 0.120 0.000 2.442 255 D HA 0.522 5.157 4.640 -0.009 0.000 0.254 255 D C -0.324 176.083 176.300 0.179 0.000 1.069 255 D CA -0.508 53.581 54.000 0.149 0.000 1.017 255 D CB 1.067 41.932 40.800 0.108 0.000 1.172 255 D HN 0.042 nan 8.370 nan 0.000 0.561 256 I N 0.870 121.553 120.570 0.190 0.000 2.436 256 I HA 0.325 4.490 4.170 -0.009 0.000 0.289 256 I C -0.443 175.762 176.117 0.145 0.000 1.010 256 I CA -0.580 60.836 61.300 0.194 0.000 1.098 256 I CB 1.678 39.796 38.000 0.197 0.000 1.266 256 I HN 0.057 nan 8.210 nan 0.000 0.434 257 M N 6.592 126.286 119.600 0.156 0.000 2.268 257 M HA 0.390 4.865 4.480 -0.009 0.000 0.344 257 M C -1.797 174.644 176.300 0.235 0.000 1.106 257 M CA -0.342 55.044 55.300 0.143 0.000 1.010 257 M CB 1.797 34.455 32.600 0.096 0.000 1.649 257 M HN 0.610 nan 8.290 nan 0.000 0.443 258 W N 5.420 126.712 121.300 -0.013 0.000 2.296 258 W HA 0.486 5.141 4.660 -0.009 0.000 0.316 258 W C -1.317 175.196 176.519 -0.010 0.000 1.022 258 W CA -0.650 56.700 57.345 0.009 0.000 1.324 258 W CB 1.180 30.598 29.460 -0.071 0.000 1.227 258 W HN 0.554 nan 8.180 nan 0.000 0.409 259 T N 7.681 122.351 114.554 0.192 0.000 2.744 259 T HA 0.437 4.782 4.350 -0.009 0.000 0.291 259 T C 0.118 174.745 174.700 -0.121 0.000 0.957 259 T CA -0.229 61.864 62.100 -0.011 0.000 1.002 259 T CB 0.440 69.342 68.868 0.056 0.000 0.919 259 T HN 0.177 nan 8.240 nan 0.000 0.468 260 I N 3.436 123.804 120.570 -0.336 0.000 2.291 260 I HA 0.461 4.626 4.170 -0.009 0.000 0.290 260 I C 0.398 176.407 176.117 -0.181 0.000 1.050 260 I CA -0.128 60.955 61.300 -0.362 0.000 1.245 260 I CB 0.791 38.437 38.000 -0.590 0.000 1.405 260 I HN 0.501 nan 8.210 nan 0.000 0.478 261 S N 4.783 120.355 115.700 -0.213 0.000 2.543 261 S HA 0.167 4.631 4.470 -0.009 0.000 0.274 261 S C -1.237 172.922 174.600 -0.736 0.000 1.149 261 S CA -0.837 57.142 58.200 -0.368 0.000 0.866 261 S CB 1.789 64.912 63.200 -0.127 0.000 1.111 261 S HN 0.636 nan 8.310 nan 0.000 0.457 262 D N 1.873 121.337 120.400 -1.559 0.000 2.455 262 D HA 0.068 4.703 4.640 -0.009 0.000 0.241 262 D C 1.645 177.366 176.300 -0.965 0.000 1.138 262 D CA 0.669 53.853 54.000 -1.359 0.000 0.877 262 D CB 1.531 41.151 40.800 -1.966 0.000 1.187 262 D HN 0.746 nan 8.370 nan 0.000 0.451 263 T N 0.475 114.565 114.554 -0.774 0.000 2.977 263 T HA -0.050 4.294 4.350 -0.009 0.000 0.271 263 T C 1.674 176.056 174.700 -0.529 0.000 1.105 263 T CA 0.899 62.393 62.100 -1.010 0.000 1.116 263 T CB -0.130 67.888 68.868 -1.417 0.000 0.878 263 T HN 0.408 nan 8.240 nan 0.000 0.509 264 G N -0.221 108.405 108.800 -0.291 0.000 2.712 264 G HA2 0.179 4.134 3.960 -0.009 0.000 0.212 264 G HA3 0.179 4.134 3.960 -0.009 0.000 0.212 264 G C 0.084 175.221 174.900 0.395 0.000 1.142 264 G CA -0.562 44.594 45.100 0.094 0.000 0.789 264 G HN 0.432 nan 8.290 nan 0.000 0.535 265 W N -0.286 121.059 121.300 0.075 0.000 2.313 265 W HA 0.476 5.130 4.660 -0.010 0.000 0.328 265 W C 1.155 177.665 176.519 -0.014 0.000 1.197 265 W CA -2.146 55.226 57.345 0.044 0.000 1.235 265 W CB 0.575 29.995 29.460 -0.068 0.000 1.158 265 W HN -0.137 nan 8.180 nan 0.000 0.578 266 I N 2.216 122.753 120.570 -0.055 0.000 2.423 266 I HA -0.310 3.855 4.170 -0.009 0.000 0.254 266 I C 2.213 178.233 176.117 -0.162 0.000 1.151 266 I CA 0.902 61.922 61.300 -0.467 0.000 1.421 266 I CB -0.036 37.507 38.000 -0.762 0.000 1.079 266 I HN 0.364 nan 8.210 nan 0.000 0.431 267 L N 1.181 122.396 121.223 -0.013 0.000 2.043 267 L HA -0.313 4.022 4.340 -0.009 0.000 0.212 267 L C 1.999 178.884 176.870 0.025 0.000 1.075 267 L CA 2.164 57.024 54.840 0.033 0.000 0.752 267 L CB -1.105 41.034 42.059 0.133 0.000 0.891 267 L HN 0.292 nan 8.230 nan 0.000 0.432 268 N N -0.638 118.067 118.700 0.009 0.000 2.069 268 N HA -0.230 4.505 4.740 -0.009 0.000 0.191 268 N C 1.791 177.275 175.510 -0.044 0.000 1.031 268 N CA 1.773 54.756 53.050 -0.112 0.000 0.852 268 N CB -0.342 37.888 38.487 -0.428 0.000 1.018 268 N HN 0.454 nan 8.380 nan 0.000 0.423 269 I N 0.260 120.870 120.570 0.067 0.000 2.315 269 I HA -0.121 4.043 4.170 -0.009 0.000 0.248 269 I C 1.744 177.849 176.117 -0.020 0.000 1.117 269 I CA 1.077 62.443 61.300 0.109 0.000 1.404 269 I CB -0.133 38.029 38.000 0.270 0.000 1.071 269 I HN 0.202 nan 8.210 nan 0.000 0.419 270 L N -1.196 120.005 121.223 -0.037 0.000 2.044 270 L HA -0.193 4.141 4.340 -0.009 0.000 0.205 270 L C 2.548 179.429 176.870 0.018 0.000 1.075 270 L CA 1.310 56.130 54.840 -0.033 0.000 0.747 270 L CB -0.661 41.370 42.059 -0.046 0.000 0.903 270 L HN 0.355 nan 8.230 nan 0.000 0.435 271 C N -2.199 117.123 119.300 0.037 0.000 2.609 271 C HA 0.086 4.541 4.460 -0.009 0.000 0.305 271 C C 3.126 178.135 174.990 0.031 0.000 1.319 271 C CA 0.567 59.624 59.018 0.065 0.000 1.793 271 C CB 0.293 28.089 27.740 0.093 0.000 2.260 271 C HN 0.490 nan 8.230 nan 0.000 0.535 272 S N -0.608 115.113 115.700 0.036 0.000 2.458 272 S HA 0.121 4.585 4.470 -0.009 0.000 0.223 272 S C 1.501 176.086 174.600 -0.025 0.000 1.019 272 S CA 1.022 59.274 58.200 0.086 0.000 0.937 272 S CB -0.052 63.297 63.200 0.247 0.000 0.788 272 S HN 0.661 nan 8.310 nan 0.000 0.511 273 L N -0.518 120.639 121.223 -0.110 0.000 2.590 273 L HA 0.394 4.729 4.340 -0.009 0.000 0.181 273 L C 2.147 178.791 176.870 -0.377 0.000 1.134 273 L CA 0.399 54.992 54.840 -0.412 0.000 0.850 273 L CB -0.129 41.828 42.059 -0.171 0.000 1.172 273 L HN 0.257 nan 8.230 nan 0.000 0.498 274 M N -0.495 118.979 119.600 -0.210 0.000 2.193 274 M HA -0.100 4.375 4.480 -0.009 0.000 0.265 274 M C 1.924 178.343 176.300 0.198 0.000 1.071 274 M CA 1.520 56.709 55.300 -0.185 0.000 1.140 274 M CB -0.221 32.102 32.600 -0.461 0.000 1.369 274 M HN 0.218 nan 8.290 nan 0.000 0.423 275 E N 0.352 120.626 120.200 0.123 0.000 2.047 275 E HA -0.154 4.191 4.350 -0.009 0.000 0.191 275 E C -0.797 175.930 176.600 0.212 0.000 0.987 275 E CA 1.185 57.703 56.400 0.196 0.000 0.799 275 E CB -1.013 28.791 29.700 0.173 0.000 0.752 275 E HN 0.380 nan 8.360 nan 0.000 0.449 276 P HA -0.163 nan 4.420 nan 0.000 0.216 276 P C 0.748 178.301 177.300 0.423 0.000 1.153 276 P CA 1.197 64.411 63.100 0.191 0.000 0.848 276 P CB -0.144 31.610 31.700 0.090 0.000 0.787 277 W N 0.391 121.925 121.300 0.389 0.000 2.467 277 W HA 0.185 4.840 4.660 -0.009 0.000 0.275 277 W C 2.576 179.396 176.519 0.502 0.000 1.239 277 W CA 0.385 58.036 57.345 0.510 0.000 1.266 277 W CB -1.913 27.959 29.460 0.688 0.000 1.112 277 W HN -0.011 nan 8.180 nan 0.000 0.576 278 A N 0.156 123.424 122.820 0.746 0.000 1.978 278 A HA -0.139 4.176 4.320 -0.009 0.000 0.220 278 A C 2.000 179.914 177.584 0.550 0.000 1.170 278 A CA 1.411 53.815 52.037 0.612 0.000 0.636 278 A CB -0.828 18.488 19.000 0.526 0.000 0.810 278 A HN 0.271 nan 8.150 nan 0.000 0.448 279 L N -1.716 119.709 121.223 0.336 0.000 2.567 279 L HA 0.240 4.575 4.340 -0.009 0.000 0.225 279 L C 1.654 178.326 176.870 -0.330 0.000 1.119 279 L CA 0.478 55.417 54.840 0.166 0.000 0.871 279 L CB -0.093 42.040 42.059 0.124 0.000 1.036 279 L HN 0.548 nan 8.230 nan 0.000 0.459 280 G N 0.405 108.722 108.800 -0.805 0.000 2.148 280 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.254 280 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.254 280 G C 0.361 174.992 174.900 -0.447 0.000 0.981 280 G CA 0.161 44.227 45.100 -1.723 0.000 0.670 280 G HN 0.501 nan 8.290 nan 0.000 0.528 281 A N -1.161 121.676 122.820 0.028 0.000 2.257 281 A HA 0.706 5.020 4.320 -0.009 0.000 0.289 281 A C 0.923 178.772 177.584 0.442 0.000 1.095 281 A CA 0.326 52.489 52.037 0.210 0.000 0.836 281 A CB 0.908 20.002 19.000 0.157 0.000 1.111 281 A HN 1.549 nan 8.150 nan 0.000 0.497 282 C N 0.202 119.706 119.300 0.340 0.000 2.388 282 C HA 0.669 5.124 4.460 -0.009 0.000 0.362 282 C C 0.791 175.968 174.990 0.312 0.000 1.266 282 C CA 0.006 59.235 59.018 0.352 0.000 2.028 282 C CB -0.098 27.838 27.740 0.326 0.000 2.440 282 C HN 0.834 nan 8.230 nan 0.000 0.547 283 T N 5.123 119.858 114.554 0.301 0.000 2.795 283 T HA 0.497 4.842 4.350 -0.009 0.000 0.282 283 T C -0.935 173.836 174.700 0.119 0.000 0.980 283 T CA -0.161 62.023 62.100 0.139 0.000 1.012 283 T CB 0.194 69.012 68.868 -0.083 0.000 0.936 283 T HN 0.543 nan 8.240 nan 0.000 0.457 284 F N 5.423 125.336 119.950 -0.062 0.000 2.421 284 F HA 0.679 5.201 4.527 -0.008 0.000 0.337 284 F C -0.848 174.791 175.800 -0.269 0.000 1.105 284 F CA -0.547 57.296 58.000 -0.261 0.000 1.049 284 F CB 1.122 39.830 39.000 -0.486 0.000 1.139 284 F HN 0.262 nan 8.300 nan 0.000 0.479 285 V N 5.842 125.292 119.914 -0.774 0.000 2.525 285 V HA 0.260 4.375 4.120 -0.009 0.000 0.299 285 V C -0.925 174.758 176.094 -0.684 0.000 1.034 285 V CA -0.765 61.270 62.300 -0.441 0.000 0.863 285 V CB 1.384 32.950 31.823 -0.428 0.000 0.999 285 V HN 0.687 nan 8.190 nan 0.000 0.423 286 H N 3.944 122.772 119.070 -0.402 0.000 2.459 286 H HA 0.370 4.921 4.556 -0.009 0.000 0.332 286 H C 0.540 175.779 175.328 -0.148 0.000 1.094 286 H CA -0.539 55.252 56.048 -0.429 0.000 1.224 286 H CB 2.167 31.809 29.762 -0.200 0.000 1.449 286 H HN 0.626 nan 8.280 nan 0.000 0.484 287 L N 5.699 126.852 121.223 -0.117 0.000 2.051 287 L HA -0.191 4.144 4.340 -0.009 0.000 0.214 287 L C 1.193 178.212 176.870 0.249 0.000 1.076 287 L CA 1.358 56.292 54.840 0.157 0.000 0.758 287 L CB -0.639 41.477 42.059 0.095 0.000 0.890 287 L HN 0.780 nan 8.230 nan 0.000 0.433 288 L N 0.001 121.485 121.223 0.435 0.000 3.879 288 L HA -0.193 4.142 4.340 -0.009 0.000 0.481 288 L C -1.483 175.467 176.870 0.134 0.000 1.232 288 L CA 0.571 55.524 54.840 0.187 0.000 0.736 288 L CB -1.044 41.093 42.059 0.130 0.000 1.511 288 L HN 0.305 nan 8.230 nan 0.000 0.830 289 P HA -0.179 nan 4.420 nan 0.000 0.220 289 P C 0.836 178.183 177.300 0.079 0.000 1.148 289 P CA 1.564 64.717 63.100 0.089 0.000 0.803 289 P CB 0.102 31.852 31.700 0.083 0.000 0.782 290 K N -2.207 118.244 120.400 0.085 0.000 2.358 290 K HA 0.123 4.438 4.320 -0.009 0.000 0.200 290 K C 0.043 176.734 176.600 0.152 0.000 1.030 290 K CA -0.584 55.756 56.287 0.088 0.000 1.097 290 K CB -0.060 32.469 32.500 0.050 0.000 0.862 290 K HN -0.189 nan 8.250 nan 0.000 0.534 291 F N 2.751 122.675 119.950 -0.042 0.000 3.027 291 F HA -0.258 4.265 4.527 -0.007 0.000 0.276 291 F C -0.634 175.126 175.800 -0.067 0.000 0.967 291 F CA 0.188 58.149 58.000 -0.065 0.000 0.929 291 F CB -1.364 37.603 39.000 -0.056 0.000 0.873 291 F HN 0.067 nan 8.300 nan 0.000 0.787 292 D N 2.856 123.164 120.400 -0.155 0.000 2.325 292 D HA 0.232 4.867 4.640 -0.009 0.000 0.251 292 D C -1.291 174.838 176.300 -0.285 0.000 1.196 292 D CA -1.715 52.161 54.000 -0.205 0.000 0.866 292 D CB 1.293 42.031 40.800 -0.104 0.000 1.101 292 D HN 0.136 nan 8.370 nan 0.000 0.476 293 P HA -0.127 nan 4.420 nan 0.000 0.221 293 P C 1.592 178.770 177.300 -0.203 0.000 1.150 293 P CA 0.175 63.092 63.100 -0.304 0.000 0.800 293 P CB 0.484 32.023 31.700 -0.270 0.000 0.787 294 L N -0.031 121.085 121.223 -0.178 0.000 2.093 294 L HA -0.073 4.262 4.340 -0.009 0.000 0.208 294 L C 2.330 179.083 176.870 -0.197 0.000 1.085 294 L CA 1.560 56.283 54.840 -0.196 0.000 0.755 294 L CB -1.215 40.752 42.059 -0.153 0.000 0.904 294 L HN -0.241 nan 8.230 nan 0.000 0.435 295 V N -0.199 119.627 119.914 -0.146 0.000 2.358 295 V HA -0.293 3.822 4.120 -0.009 0.000 0.246 295 V C 2.497 178.536 176.094 -0.091 0.000 1.047 295 V CA 2.032 64.263 62.300 -0.115 0.000 1.035 295 V CB -0.462 31.283 31.823 -0.131 0.000 0.658 295 V HN 0.399 nan 8.190 nan 0.000 0.452 296 I N -0.410 120.104 120.570 -0.093 0.000 2.118 296 I HA -0.294 3.871 4.170 -0.009 0.000 0.241 296 I C 2.453 178.596 176.117 0.044 0.000 1.070 296 I CA 1.630 62.948 61.300 0.030 0.000 1.327 296 I CB -0.503 37.404 38.000 -0.155 0.000 1.034 296 I HN 0.314 nan 8.210 nan 0.000 0.405 297 L N 1.119 122.303 121.223 -0.065 0.000 2.012 297 L HA -0.228 4.107 4.340 -0.009 0.000 0.210 297 L C 2.419 179.271 176.870 -0.030 0.000 1.073 297 L CA 1.945 56.760 54.840 -0.043 0.000 0.748 297 L CB -0.664 41.311 42.059 -0.141 0.000 0.891 297 L HN 0.091 nan 8.230 nan 0.000 0.431 298 K N -1.381 118.930 120.400 -0.147 0.000 2.097 298 K HA -0.138 4.177 4.320 -0.009 0.000 0.206 298 K C 1.875 178.529 176.600 0.091 0.000 1.049 298 K CA 1.829 58.099 56.287 -0.028 0.000 0.933 298 K CB -0.403 32.071 32.500 -0.043 0.000 0.717 298 K HN 0.417 nan 8.250 nan 0.000 0.442 299 T N 1.927 116.536 114.554 0.090 0.000 2.708 299 T HA -0.091 4.254 4.350 -0.009 0.000 0.266 299 T C 1.858 176.589 174.700 0.052 0.000 1.037 299 T CA 0.997 63.154 62.100 0.096 0.000 1.146 299 T CB -0.218 68.594 68.868 -0.094 0.000 0.865 299 T HN 0.101 nan 8.240 nan 0.000 0.435 300 L N 1.564 122.841 121.223 0.089 0.000 2.043 300 L HA -0.147 4.188 4.340 -0.009 0.000 0.212 300 L C 2.785 179.738 176.870 0.139 0.000 1.075 300 L CA 1.633 56.500 54.840 0.045 0.000 0.752 300 L CB -0.688 41.282 42.059 -0.148 0.000 0.891 300 L HN 0.392 nan 8.230 nan 0.000 0.432 301 S N -2.837 112.996 115.700 0.222 0.000 2.527 301 S HA 0.002 4.467 4.470 -0.009 0.000 0.222 301 S C 1.694 176.355 174.600 0.102 0.000 0.985 301 S CA 0.660 59.012 58.200 0.253 0.000 0.921 301 S CB 0.253 63.664 63.200 0.352 0.000 0.772 301 S HN 0.263 nan 8.310 nan 0.000 0.529 302 S N -0.350 115.364 115.700 0.022 0.000 2.512 302 S HA 0.410 4.875 4.470 -0.009 0.000 0.216 302 S C -0.616 173.721 174.600 -0.439 0.000 1.006 302 S CA -0.427 57.663 58.200 -0.184 0.000 0.915 302 S CB 0.092 63.150 63.200 -0.236 0.000 0.824 302 S HN 0.583 nan 8.310 nan 0.000 0.497 303 Y N 1.196 121.363 120.300 -0.220 0.000 2.536 303 Y HA 0.431 4.977 4.550 -0.008 0.000 0.347 303 Y C -2.518 173.180 175.900 -0.337 0.000 1.000 303 Y CA -2.454 55.431 58.100 -0.358 0.000 1.051 303 Y CB 1.117 39.111 38.460 -0.776 0.000 1.259 303 Y HN -0.156 nan 8.280 nan 0.000 0.468 304 P HA 0.199 nan 4.420 nan 0.000 0.218 304 P C -0.507 176.714 177.300 -0.132 0.000 1.793 304 P CA 0.356 63.227 63.100 -0.382 0.000 0.941 304 P CB -0.516 30.897 31.700 -0.479 0.000 1.919 305 I N 1.130 121.643 120.570 -0.096 0.000 2.452 305 I HA 0.072 4.237 4.170 -0.009 0.000 0.287 305 I C 1.702 177.934 176.117 0.192 0.000 1.079 305 I CA 0.149 61.423 61.300 -0.043 0.000 1.387 305 I CB 0.898 38.774 38.000 -0.206 0.000 1.404 305 I HN 0.011 nan 8.210 nan 0.000 0.522 306 K N 3.043 123.568 120.400 0.208 0.000 2.348 306 K HA 0.206 4.521 4.320 -0.009 0.000 0.194 306 K C 0.077 176.729 176.600 0.087 0.000 1.052 306 K CA 0.409 56.789 56.287 0.155 0.000 1.004 306 K CB 0.522 33.085 32.500 0.104 0.000 0.873 306 K HN 0.601 nan 8.250 nan 0.000 0.523 307 S N 0.662 116.410 115.700 0.080 0.000 2.541 307 S HA 0.512 4.977 4.470 -0.009 0.000 0.280 307 S C -0.946 173.688 174.600 0.056 0.000 1.112 307 S CA -0.955 57.270 58.200 0.043 0.000 0.925 307 S CB 1.744 64.944 63.200 -0.000 0.000 1.067 307 S HN 0.306 nan 8.310 nan 0.000 0.479 308 M N 1.540 121.157 119.600 0.028 0.000 2.501 308 M HA 0.843 5.318 4.480 -0.009 0.000 0.293 308 M C -1.434 174.843 176.300 -0.039 0.000 1.192 308 M CA -0.919 54.375 55.300 -0.011 0.000 0.886 308 M CB 2.091 34.650 32.600 -0.067 0.000 1.710 308 M HN 0.588 nan 8.290 nan 0.000 0.457 309 M N 2.487 122.031 119.600 -0.093 0.000 2.259 309 M HA 0.897 5.372 4.480 -0.009 0.000 0.304 309 M C -1.295 174.925 176.300 -0.134 0.000 1.019 309 M CA 0.103 55.373 55.300 -0.051 0.000 0.922 309 M CB 2.160 34.756 32.600 -0.007 0.000 1.600 309 M HN 0.971 nan 8.290 nan 0.000 0.433 310 G N 2.519 111.277 108.800 -0.071 0.000 2.677 310 G HA2 0.772 4.727 3.960 -0.009 0.000 0.291 310 G HA3 0.772 4.727 3.960 -0.009 0.000 0.291 310 G C -1.695 173.209 174.900 0.006 0.000 1.435 310 G CA -0.452 44.568 45.100 -0.133 0.000 0.826 310 G HN 1.050 nan 8.290 nan 0.000 0.491 311 A N 0.734 123.554 122.820 0.001 0.000 2.406 311 A HA 0.617 4.932 4.320 -0.009 0.000 0.243 311 A C -0.970 176.653 177.584 0.065 0.000 1.082 311 A CA -0.694 51.353 52.037 0.018 0.000 0.786 311 A CB 0.294 19.284 19.000 -0.017 0.000 1.029 311 A HN 0.374 nan 8.150 nan 0.000 0.495 312 P HA -0.177 nan 4.420 nan 0.000 0.217 312 P C 1.405 178.760 177.300 0.093 0.000 1.148 312 P CA 1.020 64.187 63.100 0.112 0.000 0.828 312 P CB 0.002 31.720 31.700 0.030 0.000 0.783 313 I N -0.968 119.638 120.570 0.060 0.000 2.335 313 I HA -0.236 3.929 4.170 -0.009 0.000 0.251 313 I C 1.775 177.911 176.117 0.031 0.000 1.129 313 I CA 1.281 62.623 61.300 0.069 0.000 1.402 313 I CB -0.129 37.941 38.000 0.116 0.000 1.069 313 I HN -0.190 nan 8.210 nan 0.000 0.424 314 V N 0.441 120.341 119.914 -0.024 0.000 2.295 314 V HA -0.331 3.783 4.120 -0.009 0.000 0.246 314 V C 2.149 178.041 176.094 -0.336 0.000 1.049 314 V CA 2.156 64.323 62.300 -0.221 0.000 1.024 314 V CB -1.003 30.578 31.823 -0.403 0.000 0.648 314 V HN 0.405 nan 8.190 nan 0.000 0.447 315 Y N 0.453 120.616 120.300 -0.229 0.000 2.181 315 Y HA -0.148 4.397 4.550 -0.009 0.000 0.288 315 Y C 2.691 178.544 175.900 -0.078 0.000 1.146 315 Y CA 1.371 59.275 58.100 -0.327 0.000 1.164 315 Y CB -0.516 37.623 38.460 -0.535 0.000 0.982 315 Y HN 0.105 nan 8.280 nan 0.000 0.515 316 R N -0.388 120.168 120.500 0.093 0.000 2.091 316 R HA -0.189 4.146 4.340 -0.009 0.000 0.238 316 R C 2.210 178.546 176.300 0.060 0.000 1.136 316 R CA 1.833 57.986 56.100 0.088 0.000 0.959 316 R CB -0.491 29.847 30.300 0.063 0.000 0.856 316 R HN 0.408 nan 8.270 nan 0.000 0.437 317 M N 0.450 120.049 119.600 -0.002 0.000 2.132 317 M HA -0.144 4.331 4.480 -0.009 0.000 0.263 317 M C 2.291 178.584 176.300 -0.011 0.000 1.065 317 M CA 1.539 56.811 55.300 -0.047 0.000 1.122 317 M CB -0.265 32.236 32.600 -0.165 0.000 1.365 317 M HN 0.140 nan 8.290 nan 0.000 0.411 318 L N -0.023 121.215 121.223 0.024 0.000 2.083 318 L HA -0.195 4.140 4.340 -0.009 0.000 0.209 318 L C 2.259 179.268 176.870 0.231 0.000 1.083 318 L CA 0.955 55.878 54.840 0.138 0.000 0.752 318 L CB -0.507 41.709 42.059 0.262 0.000 0.899 318 L HN 0.316 nan 8.230 nan 0.000 0.433 319 L N -0.762 120.621 121.223 0.267 0.000 2.275 319 L HA -0.199 4.136 4.340 -0.009 0.000 0.215 319 L C 2.250 179.202 176.870 0.135 0.000 1.119 319 L CA 0.969 55.953 54.840 0.240 0.000 0.790 319 L CB -0.282 41.934 42.059 0.262 0.000 0.919 319 L HN 0.360 nan 8.230 nan 0.000 0.443 320 Q N -0.973 118.885 119.800 0.096 0.000 2.444 320 Q HA 0.007 4.342 4.340 -0.009 0.000 0.206 320 Q C 0.394 176.424 176.000 0.050 0.000 0.948 320 Q CA 0.134 55.972 55.803 0.059 0.000 0.946 320 Q CB 0.361 29.121 28.738 0.036 0.000 1.027 320 Q HN 0.443 nan 8.270 nan 0.000 0.513 321 Q N 0.513 120.351 119.800 0.063 0.000 2.171 321 Q HA 0.099 4.434 4.340 -0.009 0.000 0.217 321 Q C -0.468 175.586 176.000 0.090 0.000 0.995 321 Q CA -0.190 55.648 55.803 0.059 0.000 0.979 321 Q CB 0.509 29.268 28.738 0.036 0.000 1.152 321 Q HN -0.044 nan 8.270 nan 0.000 0.525 322 D N 0.978 121.449 120.400 0.118 0.000 2.517 322 D HA 0.121 4.756 4.640 -0.009 0.000 0.220 322 D C 0.539 176.941 176.300 0.170 0.000 1.158 322 D CA 0.061 54.140 54.000 0.132 0.000 0.992 322 D CB -0.310 40.578 40.800 0.147 0.000 1.058 322 D HN 0.369 nan 8.370 nan 0.000 0.516 323 L N 1.601 122.885 121.223 0.103 0.000 2.551 323 L HA -0.060 4.274 4.340 -0.009 0.000 0.228 323 L C 2.099 178.951 176.870 -0.030 0.000 1.153 323 L CA 0.212 55.085 54.840 0.055 0.000 0.851 323 L CB -0.174 41.880 42.059 -0.007 0.000 0.959 323 L HN 0.226 nan 8.230 nan 0.000 0.451 324 S N -0.616 115.073 115.700 -0.020 0.000 2.383 324 S HA -0.125 4.340 4.470 -0.009 0.000 0.227 324 S C 2.096 176.645 174.600 -0.085 0.000 1.026 324 S CA 1.450 59.614 58.200 -0.061 0.000 0.981 324 S CB -0.018 63.154 63.200 -0.046 0.000 0.818 324 S HN 0.393 nan 8.310 nan 0.000 0.472 325 S N -0.363 115.294 115.700 -0.072 0.000 2.501 325 S HA 0.186 4.650 4.470 -0.009 0.000 0.220 325 S C -0.396 173.956 174.600 -0.413 0.000 0.997 325 S CA 0.211 58.265 58.200 -0.242 0.000 0.919 325 S CB 0.011 63.026 63.200 -0.308 0.000 0.778 325 S HN 0.484 nan 8.310 nan 0.000 0.523 326 Y N 2.072 122.351 120.300 -0.035 0.000 2.646 326 Y HA 0.397 4.943 4.550 -0.008 0.000 0.334 326 Y C -0.109 175.742 175.900 -0.083 0.000 1.004 326 Y CA -1.095 57.007 58.100 0.004 0.000 1.301 326 Y CB 0.675 39.188 38.460 0.089 0.000 1.093 326 Y HN -0.225 nan 8.280 nan 0.000 0.530 327 K N 2.910 123.280 120.400 -0.049 0.000 2.144 327 K HA 0.433 4.748 4.320 -0.009 0.000 0.270 327 K C -0.652 175.918 176.600 -0.051 0.000 1.005 327 K CA -0.592 55.556 56.287 -0.231 0.000 0.932 327 K CB 0.910 33.303 32.500 -0.178 0.000 1.021 327 K HN 0.580 nan 8.250 nan 0.000 0.462 328 F N -0.082 119.897 119.950 0.049 0.000 2.646 328 F HA 0.317 4.839 4.527 -0.008 0.000 0.336 328 F C -1.756 174.088 175.800 0.073 0.000 1.437 328 F CA -2.131 55.913 58.000 0.074 0.000 1.142 328 F CB 0.599 39.660 39.000 0.102 0.000 1.530 328 F HN 0.310 nan 8.300 nan 0.000 0.591 329 P HA -0.207 nan 4.420 nan 0.000 0.222 329 P C 1.129 178.533 177.300 0.172 0.000 1.147 329 P CA 1.594 64.764 63.100 0.118 0.000 0.790 329 P CB 0.180 31.920 31.700 0.066 0.000 0.780 330 H N -0.726 118.420 119.070 0.126 0.000 2.495 330 H HA 0.081 4.632 4.556 -0.009 0.000 0.287 330 H C 0.717 176.117 175.328 0.121 0.000 1.033 330 H CA 0.049 56.160 56.048 0.105 0.000 1.307 330 H CB -0.433 29.381 29.762 0.087 0.000 1.401 330 H HN -0.015 nan 8.280 nan 0.000 0.555 331 L N 1.105 122.481 121.223 0.254 0.000 2.410 331 L HA 0.043 4.378 4.340 -0.009 0.000 0.273 331 L C 0.369 177.332 176.870 0.154 0.000 1.144 331 L CA 0.469 55.433 54.840 0.207 0.000 0.863 331 L CB 0.955 43.168 42.059 0.256 0.000 1.140 331 L HN 0.267 nan 8.230 nan 0.000 0.463 332 Q N 2.288 122.146 119.800 0.096 0.000 2.313 332 Q HA 0.319 4.654 4.340 -0.009 0.000 0.263 332 Q C -0.599 175.455 176.000 0.089 0.000 0.820 332 Q CA 0.291 56.140 55.803 0.077 0.000 0.974 332 Q CB 0.634 29.381 28.738 0.016 0.000 1.156 332 Q HN 0.654 nan 8.270 nan 0.000 0.517 333 N N 0.367 119.113 118.700 0.076 0.000 2.399 333 N HA 0.309 5.044 4.740 -0.009 0.000 0.280 333 N C -1.146 174.401 175.510 0.062 0.000 1.008 333 N CA -0.136 52.941 53.050 0.044 0.000 0.894 333 N CB 1.879 40.351 38.487 -0.025 0.000 1.273 333 N HN -0.025 nan 8.380 nan 0.000 0.486 334 C N 1.988 121.335 119.300 0.078 0.000 2.322 334 C HA 0.670 5.125 4.460 -0.009 0.000 0.324 334 C C 0.630 175.606 174.990 -0.023 0.000 1.249 334 C CA -0.860 58.209 59.018 0.084 0.000 1.453 334 C CB 0.161 27.977 27.740 0.126 0.000 2.145 334 C HN 0.542 nan 8.230 nan 0.000 0.466 335 V N 1.113 121.033 119.914 0.009 0.000 3.113 335 V HA 0.989 5.104 4.120 -0.009 0.000 0.316 335 V C -0.407 175.745 176.094 0.097 0.000 1.125 335 V CA -0.241 62.068 62.300 0.015 0.000 1.026 335 V CB 1.825 33.616 31.823 -0.054 0.000 1.080 335 V HN 0.767 nan 8.190 nan 0.000 0.444 336 T N 0.053 114.679 114.554 0.121 0.000 2.843 336 T HA 0.758 5.103 4.350 -0.009 0.000 0.302 336 T C -1.697 173.073 174.700 0.116 0.000 1.232 336 T CA 0.075 62.249 62.100 0.124 0.000 1.009 336 T CB 1.814 70.710 68.868 0.046 0.000 1.254 336 T HN 1.766 nan 8.240 nan 0.000 0.504 337 V N 0.908 120.859 119.914 0.061 0.000 3.225 337 V HA 0.699 4.814 4.120 -0.009 0.000 0.293 337 V C 0.605 176.664 176.094 -0.059 0.000 1.405 337 V CA 0.945 63.251 62.300 0.010 0.000 1.038 337 V CB 1.535 33.364 31.823 0.011 0.000 1.123 337 V HN 1.608 nan 8.190 nan 0.000 0.447 338 G N 3.451 112.185 108.800 -0.111 0.000 2.436 338 G HA2 -0.081 3.874 3.960 -0.009 0.000 0.204 338 G HA3 -0.081 3.874 3.960 -0.009 0.000 0.204 338 G C -0.007 174.777 174.900 -0.193 0.000 1.026 338 G CA 0.888 45.880 45.100 -0.179 0.000 0.658 338 G HN 1.668 nan 8.290 nan 0.000 0.499 339 E N -0.071 120.029 120.200 -0.166 0.000 2.445 339 E HA 0.679 5.024 4.350 -0.009 0.000 0.279 339 E C -0.755 175.744 176.600 -0.168 0.000 1.018 339 E CA -0.404 55.878 56.400 -0.197 0.000 0.816 339 E CB 0.669 30.288 29.700 -0.135 0.000 1.356 339 E HN 0.119 nan 8.360 nan 0.000 0.462 340 S N 0.760 116.350 115.700 -0.184 0.000 2.537 340 S HA 0.080 4.545 4.470 -0.009 0.000 0.286 340 S C -0.118 174.454 174.600 -0.047 0.000 1.299 340 S CA -0.481 57.655 58.200 -0.106 0.000 1.067 340 S CB 0.066 63.243 63.200 -0.037 0.000 0.864 340 S HN 0.415 nan 8.310 nan 0.000 0.494 341 L N 6.124 127.328 121.223 -0.032 0.000 2.325 341 L HA 0.325 4.660 4.340 -0.009 0.000 0.284 341 L C -0.496 176.374 176.870 -0.001 0.000 1.089 341 L CA 0.173 54.998 54.840 -0.025 0.000 0.836 341 L CB -0.306 41.729 42.059 -0.040 0.000 1.184 341 L HN 0.544 nan 8.230 nan 0.000 0.444 342 L N 8.053 129.280 121.223 0.007 0.000 2.485 342 L HA 0.120 4.455 4.340 -0.009 0.000 0.275 342 L C -1.108 175.781 176.870 0.031 0.000 1.207 342 L CA -1.192 53.663 54.840 0.024 0.000 0.855 342 L CB 0.098 42.176 42.059 0.030 0.000 1.114 342 L HN 0.520 nan 8.230 nan 0.000 0.485 343 P HA -0.202 nan 4.420 nan 0.000 0.216 343 P C 1.256 178.588 177.300 0.054 0.000 1.150 343 P CA 1.100 64.230 63.100 0.051 0.000 0.843 343 P CB 0.203 31.936 31.700 0.054 0.000 0.787 344 E N -1.002 119.229 120.200 0.051 0.000 2.106 344 E HA -0.133 4.212 4.350 -0.009 0.000 0.192 344 E C 1.545 178.190 176.600 0.075 0.000 0.984 344 E CA 1.424 57.859 56.400 0.059 0.000 0.806 344 E CB -0.245 29.487 29.700 0.054 0.000 0.750 344 E HN 0.188 nan 8.360 nan 0.000 0.458 345 T N 1.819 116.414 114.554 0.068 0.000 2.674 345 T HA -0.186 4.159 4.350 -0.009 0.000 0.265 345 T C 1.846 176.607 174.700 0.102 0.000 1.039 345 T CA 1.167 63.317 62.100 0.083 0.000 1.150 345 T CB -0.364 68.530 68.868 0.044 0.000 0.864 345 T HN 0.116 nan 8.240 nan 0.000 0.427 346 L N 1.422 122.679 121.223 0.057 0.000 2.013 346 L HA -0.125 4.210 4.340 -0.009 0.000 0.212 346 L C 2.432 179.384 176.870 0.135 0.000 1.073 346 L CA 2.055 56.939 54.840 0.073 0.000 0.753 346 L CB -0.690 41.396 42.059 0.046 0.000 0.890 346 L HN 0.318 nan 8.230 nan 0.000 0.432 347 E N -1.056 119.208 120.200 0.106 0.000 2.047 347 E HA -0.270 4.075 4.350 -0.009 0.000 0.191 347 E C 2.044 178.712 176.600 0.114 0.000 0.987 347 E CA 1.175 57.633 56.400 0.097 0.000 0.799 347 E CB -0.190 29.552 29.700 0.071 0.000 0.752 347 E HN 0.557 nan 8.360 nan 0.000 0.449 348 N N 0.570 119.350 118.700 0.133 0.000 2.120 348 N HA -0.196 4.539 4.740 -0.009 0.000 0.188 348 N C 1.450 177.072 175.510 0.188 0.000 1.024 348 N CA 1.282 54.414 53.050 0.138 0.000 0.852 348 N CB -0.508 38.064 38.487 0.142 0.000 1.003 348 N HN 0.426 nan 8.380 nan 0.000 0.424 349 W N 1.663 122.993 121.300 0.050 0.000 2.358 349 W HA -0.143 4.512 4.660 -0.008 0.000 0.303 349 W C 1.833 178.389 176.519 0.062 0.000 1.208 349 W CA 1.098 58.486 57.345 0.071 0.000 1.274 349 W CB -0.187 29.301 29.460 0.047 0.000 1.138 349 W HN 0.135 nan 8.180 nan 0.000 0.515 350 R N 0.153 120.760 120.500 0.179 0.000 2.091 350 R HA -0.155 4.180 4.340 -0.009 0.000 0.238 350 R C 2.520 178.809 176.300 -0.018 0.000 1.136 350 R CA 1.892 58.031 56.100 0.065 0.000 0.959 350 R CB -0.882 29.474 30.300 0.093 0.000 0.856 350 R HN 0.126 nan 8.270 nan 0.000 0.437 351 A N 0.717 123.538 122.820 0.003 0.000 1.898 351 A HA -0.163 4.151 4.320 -0.009 0.000 0.216 351 A C 1.977 179.518 177.584 -0.072 0.000 1.181 351 A CA 1.137 53.162 52.037 -0.021 0.000 0.620 351 A CB -0.179 18.824 19.000 0.005 0.000 0.819 351 A HN 0.165 nan 8.150 nan 0.000 0.442 352 Q N -0.737 118.999 119.800 -0.107 0.000 2.187 352 Q HA -0.048 4.287 4.340 -0.009 0.000 0.199 352 Q C 2.037 177.869 176.000 -0.280 0.000 0.957 352 Q CA 1.996 57.700 55.803 -0.165 0.000 0.857 352 Q CB -0.560 28.090 28.738 -0.146 0.000 0.929 352 Q HN 0.848 nan 8.270 nan 0.000 0.453 353 T N -5.309 109.013 114.554 -0.386 0.000 2.959 353 T HA 0.367 4.712 4.350 -0.009 0.000 0.254 353 T C 1.353 175.903 174.700 -0.250 0.000 1.003 353 T CA 0.767 62.601 62.100 -0.444 0.000 0.950 353 T CB 0.679 69.086 68.868 -0.768 0.000 1.090 353 T HN 0.309 nan 8.240 nan 0.000 0.503 354 G N 1.527 110.225 108.800 -0.171 0.000 2.179 354 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.260 354 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.260 354 G C -0.115 174.777 174.900 -0.014 0.000 0.977 354 G CA 0.410 45.467 45.100 -0.072 0.000 0.641 354 G HN 0.667 nan 8.290 nan 0.000 0.533 355 L N 0.626 121.843 121.223 -0.009 0.000 2.334 355 L HA 0.567 4.901 4.340 -0.009 0.000 0.272 355 L C -0.165 176.861 176.870 0.260 0.000 1.020 355 L CA -1.287 53.640 54.840 0.144 0.000 0.812 355 L CB 1.083 43.309 42.059 0.279 0.000 1.264 355 L HN -0.063 nan 8.230 nan 0.000 0.439 356 D N 1.649 122.181 120.400 0.220 0.000 2.329 356 D HA 0.467 5.102 4.640 -0.009 0.000 0.246 356 D C -0.305 176.090 176.300 0.157 0.000 1.111 356 D CA 0.065 54.174 54.000 0.182 0.000 0.941 356 D CB 1.969 42.837 40.800 0.114 0.000 1.169 356 D HN 0.219 nan 8.370 nan 0.000 0.441 357 I N 1.332 121.912 120.570 0.015 0.000 2.378 357 I HA 0.289 4.454 4.170 -0.009 0.000 0.291 357 I C 0.259 176.331 176.117 -0.074 0.000 0.992 357 I CA -0.644 60.534 61.300 -0.205 0.000 1.154 357 I CB 1.334 38.994 38.000 -0.567 0.000 1.315 357 I HN -0.060 nan 8.210 nan 0.000 0.448 358 R N 4.984 125.472 120.500 -0.020 0.000 2.246 358 R HA 0.311 4.646 4.340 -0.009 0.000 0.332 358 R C -0.355 176.029 176.300 0.141 0.000 0.974 358 R CA -0.594 55.559 56.100 0.089 0.000 0.837 358 R CB 1.641 32.025 30.300 0.139 0.000 1.145 358 R HN 0.571 nan 8.270 nan 0.000 0.467 359 E N 1.851 122.124 120.200 0.120 0.000 2.373 359 E HA 0.179 4.524 4.350 -0.009 0.000 0.263 359 E C -0.606 176.079 176.600 0.141 0.000 1.073 359 E CA -0.204 56.261 56.400 0.108 0.000 0.894 359 E CB 0.861 30.606 29.700 0.075 0.000 1.008 359 E HN 0.629 nan 8.360 nan 0.000 0.420 360 S N 2.376 118.137 115.700 0.103 0.000 2.651 360 S HA 0.523 4.988 4.470 -0.009 0.000 0.279 360 S C -1.454 173.178 174.600 0.053 0.000 1.148 360 S CA -0.871 57.328 58.200 -0.001 0.000 0.837 360 S CB 1.309 64.410 63.200 -0.165 0.000 1.138 360 S HN 0.575 nan 8.310 nan 0.000 0.478 361 Y N -0.310 119.901 120.300 -0.148 0.000 2.504 361 Y HA 0.753 5.299 4.550 -0.008 0.000 0.344 361 Y C -0.238 175.581 175.900 -0.135 0.000 1.023 361 Y CA 0.386 58.405 58.100 -0.136 0.000 1.020 361 Y CB 1.474 39.867 38.460 -0.111 0.000 1.282 361 Y HN 1.387 nan 8.280 nan 0.000 0.454 362 G N 3.660 111.981 108.800 -0.799 0.000 2.340 362 G HA2 0.494 4.449 3.960 -0.009 0.000 0.299 362 G HA3 0.494 4.449 3.960 -0.009 0.000 0.299 362 G C -2.252 172.302 174.900 -0.575 0.000 1.291 362 G CA -0.588 44.077 45.100 -0.726 0.000 0.841 362 G HN 0.935 nan 8.290 nan 0.000 0.500 363 Q N -1.955 117.630 119.800 -0.360 0.000 2.534 363 Q HA 0.587 4.922 4.340 -0.009 0.000 0.290 363 Q C 0.342 176.232 176.000 -0.183 0.000 0.991 363 Q CA -0.113 55.545 55.803 -0.241 0.000 0.783 363 Q CB 1.089 29.725 28.738 -0.171 0.000 1.470 363 Q HN 0.348 nan 8.270 nan 0.000 0.406 364 T N 0.786 115.253 114.554 -0.144 0.000 2.653 364 T HA -0.219 4.126 4.350 -0.009 0.000 0.268 364 T C 0.994 175.635 174.700 -0.100 0.000 1.035 364 T CA 2.417 64.451 62.100 -0.110 0.000 1.154 364 T CB -0.205 68.644 68.868 -0.032 0.000 0.862 364 T HN 0.645 nan 8.240 nan 0.000 0.441 365 E N 0.573 120.587 120.200 -0.309 0.000 2.204 365 E HA -0.061 4.284 4.350 -0.009 0.000 0.195 365 E C 2.275 178.558 176.600 -0.528 0.000 0.990 365 E CA 1.486 57.388 56.400 -0.831 0.000 0.821 365 E CB -0.133 28.892 29.700 -1.125 0.000 0.750 365 E HN 0.726 nan 8.360 nan 0.000 0.477 366 T N -4.156 110.259 114.554 -0.232 0.000 3.043 366 T HA 0.452 4.797 4.350 -0.009 0.000 0.272 366 T C 1.173 175.897 174.700 0.040 0.000 0.990 366 T CA 0.032 62.068 62.100 -0.107 0.000 0.897 366 T CB 0.306 69.083 68.868 -0.151 0.000 1.111 366 T HN 0.243 nan 8.240 nan 0.000 0.529 367 G N 2.274 111.042 108.800 -0.053 0.000 2.574 367 G HA2 -0.226 3.728 3.960 -0.009 0.000 0.282 367 G HA3 -0.226 3.728 3.960 -0.009 0.000 0.282 367 G C -0.241 174.584 174.900 -0.126 0.000 1.257 367 G CA -0.088 44.943 45.100 -0.115 0.000 0.956 367 G HN 1.028 nan 8.290 nan 0.000 0.560 368 L N 1.120 122.249 121.223 -0.157 0.000 2.433 368 L HA 0.586 4.921 4.340 -0.009 0.000 0.275 368 L C 1.450 178.223 176.870 -0.161 0.000 1.128 368 L CA 1.703 56.405 54.840 -0.229 0.000 0.875 368 L CB 0.963 42.820 42.059 -0.336 0.000 1.171 368 L HN 0.662 nan 8.230 nan 0.000 0.463 369 T N 2.535 117.027 114.554 -0.103 0.000 3.056 369 T HA 0.227 4.572 4.350 -0.009 0.000 0.243 369 T C 0.040 174.783 174.700 0.071 0.000 0.995 369 T CA 0.321 62.482 62.100 0.103 0.000 1.091 369 T CB 0.160 69.034 68.868 0.010 0.000 0.990 369 T HN 0.581 nan 8.240 nan 0.000 0.464 370 C N 3.207 122.531 119.300 0.041 0.000 2.797 370 C HA 0.917 5.372 4.460 -0.009 0.000 0.306 370 C C -0.790 174.134 174.990 -0.109 0.000 1.207 370 C CA -1.121 57.897 59.018 0.000 0.000 1.507 370 C CB 1.545 29.319 27.740 0.057 0.000 2.028 370 C HN 0.589 nan 8.230 nan 0.000 0.475 371 M N 0.853 120.357 119.600 -0.160 0.000 2.603 371 M HA 0.570 5.045 4.480 -0.009 0.000 0.275 371 M C -1.850 174.403 176.300 -0.078 0.000 1.226 371 M CA -0.576 54.606 55.300 -0.197 0.000 0.870 371 M CB 0.922 33.150 32.600 -0.620 0.000 1.716 371 M HN 0.251 nan 8.290 nan 0.000 0.482 372 V N 2.935 122.880 119.914 0.051 0.000 2.339 372 V HA 0.362 4.477 4.120 -0.009 0.000 0.261 372 V C 0.928 177.174 176.094 0.253 0.000 1.058 372 V CA -0.173 62.190 62.300 0.106 0.000 0.897 372 V CB 0.151 32.066 31.823 0.153 0.000 1.052 372 V HN 0.997 nan 8.190 nan 0.000 0.480 373 S N 4.030 119.857 115.700 0.211 0.000 2.608 373 S HA 0.230 4.695 4.470 -0.009 0.000 0.261 373 S C 1.132 175.846 174.600 0.190 0.000 1.314 373 S CA -0.301 58.070 58.200 0.285 0.000 0.992 373 S CB 1.039 64.367 63.200 0.214 0.000 0.935 373 S HN 0.586 nan 8.310 nan 0.000 0.564 374 K N 0.586 121.076 120.400 0.150 0.000 2.147 374 K HA -0.068 4.246 4.320 -0.009 0.000 0.205 374 K C 2.015 178.669 176.600 0.090 0.000 1.049 374 K CA 2.099 58.442 56.287 0.093 0.000 0.936 374 K CB -1.128 31.404 32.500 0.053 0.000 0.722 374 K HN 0.880 nan 8.250 nan 0.000 0.446 375 T N -1.932 112.678 114.554 0.094 0.000 3.113 375 T HA 0.175 4.520 4.350 -0.009 0.000 0.256 375 T C 0.794 175.550 174.700 0.094 0.000 1.131 375 T CA -0.031 62.119 62.100 0.083 0.000 1.074 375 T CB -0.210 68.703 68.868 0.075 0.000 0.944 375 T HN -0.009 nan 8.240 nan 0.000 0.516 376 M N 1.953 121.621 119.600 0.113 0.000 2.250 376 M HA 0.303 4.778 4.480 -0.009 0.000 0.344 376 M C 0.300 176.696 176.300 0.161 0.000 1.150 376 M CA -0.657 54.728 55.300 0.143 0.000 1.147 376 M CB 1.087 33.768 32.600 0.135 0.000 1.498 376 M HN 0.045 nan 8.290 nan 0.000 0.461 377 K N 2.707 123.214 120.400 0.177 0.000 2.448 377 K HA 0.181 4.495 4.320 -0.009 0.000 0.278 377 K C -1.013 175.699 176.600 0.188 0.000 1.009 377 K CA 0.055 56.422 56.287 0.135 0.000 0.995 377 K CB 0.373 32.906 32.500 0.056 0.000 0.917 377 K HN 0.588 nan 8.250 nan 0.000 0.481 378 I N 4.778 125.424 120.570 0.127 0.000 2.395 378 I HA 0.093 4.258 4.170 -0.009 0.000 0.289 378 I C 0.088 176.247 176.117 0.069 0.000 1.023 378 I CA -0.126 61.260 61.300 0.143 0.000 1.350 378 I CB 1.016 39.085 38.000 0.114 0.000 1.409 378 I HN 0.496 nan 8.210 nan 0.000 0.507 379 K N 7.681 128.135 120.400 0.090 0.000 2.449 379 K HA 0.392 4.706 4.320 -0.009 0.000 0.257 379 K C -2.507 174.201 176.600 0.179 0.000 0.989 379 K CA -1.791 54.491 56.287 -0.009 0.000 0.916 379 K CB 1.345 33.632 32.500 -0.355 0.000 1.136 379 K HN 0.200 nan 8.250 nan 0.000 0.439 380 P HA -0.077 nan 4.420 nan 0.000 0.264 380 P C 0.786 178.227 177.300 0.234 0.000 1.183 380 P CA 0.929 64.124 63.100 0.158 0.000 0.763 380 P CB 0.576 32.338 31.700 0.102 0.000 0.807 381 G N 1.008 109.905 108.800 0.161 0.000 2.176 381 G HA2 -0.248 3.706 3.960 -0.009 0.000 0.253 381 G HA3 -0.248 3.706 3.960 -0.009 0.000 0.253 381 G C -0.341 174.540 174.900 -0.031 0.000 0.979 381 G CA -0.320 44.815 45.100 0.058 0.000 0.641 381 G HN 0.486 nan 8.290 nan 0.000 0.530 382 Y N -0.496 119.865 120.300 0.101 0.000 2.468 382 Y HA 0.561 5.106 4.550 -0.008 0.000 0.342 382 Y C 1.349 177.344 175.900 0.157 0.000 1.021 382 Y CA -0.659 57.532 58.100 0.153 0.000 1.079 382 Y CB 1.640 40.238 38.460 0.229 0.000 1.226 382 Y HN 0.108 nan 8.280 nan 0.000 0.460 383 M N 0.534 120.298 119.600 0.274 0.000 2.428 383 M HA 0.605 5.080 4.480 -0.009 0.000 0.239 383 M C 0.657 177.038 176.300 0.135 0.000 1.121 383 M CA 0.500 55.894 55.300 0.156 0.000 1.019 383 M CB 0.248 32.877 32.600 0.050 0.000 1.485 383 M HN 0.724 nan 8.290 nan 0.000 0.484 384 G N 1.003 109.892 108.800 0.149 0.000 2.548 384 G HA2 -0.110 3.845 3.960 -0.009 0.000 0.208 384 G HA3 -0.110 3.845 3.960 -0.009 0.000 0.208 384 G C -0.437 174.412 174.900 -0.085 0.000 1.308 384 G CA -0.403 44.613 45.100 -0.141 0.000 0.924 384 G HN 0.772 nan 8.290 nan 0.000 0.540 385 T N -1.710 112.736 114.554 -0.179 0.000 2.949 385 T HA 0.896 5.241 4.350 -0.009 0.000 0.287 385 T C 0.761 175.502 174.700 0.068 0.000 1.034 385 T CA 0.725 62.830 62.100 0.009 0.000 1.018 385 T CB 1.545 70.338 68.868 -0.126 0.000 1.135 385 T HN 2.415 nan 8.240 nan 0.000 0.532 386 A N 0.976 123.894 122.820 0.163 0.000 2.561 386 A HA 0.527 4.842 4.320 -0.009 0.000 0.234 386 A C 1.016 178.608 177.584 0.013 0.000 1.055 386 A CA -0.090 52.014 52.037 0.111 0.000 0.756 386 A CB -1.050 18.059 19.000 0.182 0.000 0.986 386 A HN 1.527 nan 8.150 nan 0.000 0.505 387 A N 2.145 124.939 122.820 -0.044 0.000 2.466 387 A HA 0.392 4.707 4.320 -0.009 0.000 0.238 387 A C 1.630 179.120 177.584 -0.155 0.000 1.074 387 A CA 0.393 52.317 52.037 -0.188 0.000 0.774 387 A CB -0.167 18.605 19.000 -0.379 0.000 1.015 387 A HN 2.021 nan 8.150 nan 0.000 0.498 388 S N 0.316 115.925 115.700 -0.153 0.000 2.419 388 S HA -0.165 4.300 4.470 -0.009 0.000 0.233 388 S C 1.445 175.990 174.600 -0.093 0.000 1.016 388 S CA 1.628 59.779 58.200 -0.082 0.000 0.974 388 S CB -0.937 62.231 63.200 -0.053 0.000 0.786 388 S HN 0.692 nan 8.310 nan 0.000 0.492 389 C N 0.472 119.642 119.300 -0.216 0.000 2.522 389 C HA 0.315 4.770 4.460 -0.009 0.000 0.271 389 C C 0.118 175.148 174.990 0.068 0.000 1.425 389 C CA -0.554 58.369 59.018 -0.159 0.000 1.751 389 C CB -1.660 25.904 27.740 -0.295 0.000 1.775 389 C HN 0.509 nan 8.230 nan 0.000 0.557 390 Y N 0.333 120.611 120.300 -0.037 0.000 2.429 390 Y HA 0.443 4.988 4.550 -0.009 0.000 0.342 390 Y C -0.294 175.616 175.900 0.018 0.000 1.004 390 Y CA -1.974 56.112 58.100 -0.024 0.000 1.075 390 Y CB 0.449 38.892 38.460 -0.029 0.000 1.214 390 Y HN -0.046 nan 8.280 nan 0.000 0.455 391 D N 2.404 122.913 120.400 0.182 0.000 2.467 391 D HA 0.379 5.013 4.640 -0.009 0.000 0.220 391 D C -1.194 175.234 176.300 0.213 0.000 1.103 391 D CA -0.107 53.994 54.000 0.167 0.000 0.886 391 D CB 0.443 41.312 40.800 0.114 0.000 1.025 391 D HN 0.184 nan 8.370 nan 0.000 0.514 392 V N 4.506 124.558 119.914 0.229 0.000 2.439 392 V HA 0.420 4.535 4.120 -0.009 0.000 0.282 392 V C 0.269 176.577 176.094 0.357 0.000 1.039 392 V CA -0.544 61.870 62.300 0.189 0.000 0.913 392 V CB 1.348 33.150 31.823 -0.035 0.000 0.983 392 V HN 0.457 nan 8.190 nan 0.000 0.460 393 Q N 3.187 123.160 119.800 0.287 0.000 2.495 393 Q HA 0.574 4.909 4.340 -0.009 0.000 0.287 393 Q C -1.266 174.816 176.000 0.136 0.000 1.078 393 Q CA -0.841 55.106 55.803 0.239 0.000 0.793 393 Q CB 3.025 31.803 28.738 0.067 0.000 1.459 393 Q HN 0.458 nan 8.270 nan 0.000 0.422 394 I N 2.774 123.409 120.570 0.109 0.000 2.331 394 I HA 0.428 4.593 4.170 -0.009 0.000 0.292 394 I C 0.458 176.495 176.117 -0.133 0.000 0.998 394 I CA -0.445 60.861 61.300 0.010 0.000 1.267 394 I CB 0.354 38.376 38.000 0.036 0.000 1.386 394 I HN 0.538 nan 8.210 nan 0.000 0.476 395 I N 2.933 123.386 120.570 -0.195 0.000 2.785 395 I HA 0.621 4.785 4.170 -0.009 0.000 0.302 395 I C -0.449 175.575 176.117 -0.154 0.000 1.069 395 I CA -0.876 60.268 61.300 -0.260 0.000 1.045 395 I CB 2.309 40.008 38.000 -0.502 0.000 1.236 395 I HN 0.454 nan 8.210 nan 0.000 0.429 396 D N 2.906 123.233 120.400 -0.122 0.000 2.440 396 D HA 0.059 4.694 4.640 -0.009 0.000 0.269 396 D C 0.591 176.847 176.300 -0.072 0.000 1.249 396 D CA -0.100 53.852 54.000 -0.081 0.000 1.055 396 D CB 0.368 41.132 40.800 -0.059 0.000 1.104 396 D HN 0.732 nan 8.370 nan 0.000 0.561 397 D N -1.644 118.723 120.400 -0.055 0.000 2.350 397 D HA -0.119 4.516 4.640 -0.009 0.000 0.216 397 D C 0.863 177.142 176.300 -0.035 0.000 0.968 397 D CA 0.633 54.604 54.000 -0.048 0.000 0.894 397 D CB -0.292 40.481 40.800 -0.045 0.000 0.909 397 D HN 0.183 nan 8.370 nan 0.000 0.520 398 K N -1.044 119.340 120.400 -0.027 0.000 2.358 398 K HA 0.474 4.789 4.320 -0.009 0.000 0.200 398 K C 1.492 178.099 176.600 0.010 0.000 1.030 398 K CA 0.271 56.553 56.287 -0.008 0.000 1.097 398 K CB 0.219 32.717 32.500 -0.004 0.000 0.862 398 K HN 0.463 nan 8.250 nan 0.000 0.534 399 G N 1.418 110.214 108.800 -0.007 0.000 2.157 399 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.239 399 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.239 399 G C -0.305 174.604 174.900 0.015 0.000 0.982 399 G CA -0.010 45.106 45.100 0.028 0.000 0.650 399 G HN 0.558 nan 8.290 nan 0.000 0.527 400 N N -0.135 118.552 118.700 -0.021 0.000 2.514 400 N HA 0.465 5.200 4.740 -0.009 0.000 0.277 400 N C 0.411 175.869 175.510 -0.088 0.000 1.126 400 N CA -0.506 52.536 53.050 -0.014 0.000 0.978 400 N CB 1.894 40.379 38.487 -0.004 0.000 1.106 400 N HN 0.085 nan 8.380 nan 0.000 0.461 401 V N 3.003 122.883 119.914 -0.057 0.000 2.599 401 V HA 0.001 4.116 4.120 -0.009 0.000 0.300 401 V C 0.457 176.523 176.094 -0.047 0.000 1.034 401 V CA 0.179 62.433 62.300 -0.076 0.000 1.115 401 V CB -0.156 31.677 31.823 0.018 0.000 0.934 401 V HN 0.477 nan 8.190 nan 0.000 0.485 402 L N 7.540 128.727 121.223 -0.060 0.000 2.344 402 L HA 0.533 4.868 4.340 -0.009 0.000 0.272 402 L C -1.809 175.045 176.870 -0.028 0.000 1.035 402 L CA -1.760 53.055 54.840 -0.042 0.000 0.807 402 L CB 1.815 43.843 42.059 -0.050 0.000 1.237 402 L HN 0.486 nan 8.230 nan 0.000 0.442 403 P HA 0.207 nan 4.420 nan 0.000 0.274 403 P C -2.682 174.600 177.300 -0.029 0.000 1.246 403 P CA -1.379 61.708 63.100 -0.021 0.000 0.795 403 P CB -0.389 31.301 31.700 -0.017 0.000 1.006 404 P HA 0.010 nan 4.420 nan 0.000 0.268 404 P C 0.830 178.113 177.300 -0.028 0.000 1.208 404 P CA 0.866 63.940 63.100 -0.042 0.000 0.777 404 P CB -0.014 31.660 31.700 -0.043 0.000 0.875 405 G N 1.002 109.788 108.800 -0.023 0.000 2.176 405 G HA2 -0.175 3.779 3.960 -0.009 0.000 0.253 405 G HA3 -0.175 3.779 3.960 -0.009 0.000 0.253 405 G C 0.045 174.937 174.900 -0.014 0.000 0.979 405 G CA 0.212 45.306 45.100 -0.010 0.000 0.641 405 G HN 0.716 nan 8.290 nan 0.000 0.530 406 T N 0.846 115.386 114.554 -0.022 0.000 2.770 406 T HA 0.512 4.856 4.350 -0.009 0.000 0.283 406 T C -0.096 174.586 174.700 -0.030 0.000 0.988 406 T CA -0.380 61.704 62.100 -0.026 0.000 0.957 406 T CB 2.220 71.071 68.868 -0.029 0.000 0.930 406 T HN 0.385 nan 8.240 nan 0.000 0.443 407 E N 2.005 122.185 120.200 -0.033 0.000 2.360 407 E HA 0.474 4.819 4.350 -0.009 0.000 0.269 407 E C 0.293 176.865 176.600 -0.047 0.000 1.022 407 E CA -0.166 56.209 56.400 -0.042 0.000 0.887 407 E CB 0.409 30.079 29.700 -0.050 0.000 0.990 407 E HN 0.858 nan 8.360 nan 0.000 0.426 408 G N 3.371 112.141 108.800 -0.050 0.000 2.753 408 G HA2 0.121 4.076 3.960 -0.009 0.000 0.303 408 G HA3 0.121 4.076 3.960 -0.009 0.000 0.303 408 G C -1.330 173.531 174.900 -0.065 0.000 1.242 408 G CA -0.657 44.406 45.100 -0.061 0.000 0.810 408 G HN 0.533 nan 8.290 nan 0.000 0.515 409 D N 0.767 121.120 120.400 -0.077 0.000 2.264 409 D HA 0.367 5.001 4.640 -0.009 0.000 0.250 409 D C 0.242 176.505 176.300 -0.062 0.000 1.113 409 D CA 0.113 54.066 54.000 -0.078 0.000 0.871 409 D CB 1.999 42.743 40.800 -0.094 0.000 1.167 409 D HN 0.212 nan 8.370 nan 0.000 0.447 410 I N 1.619 122.171 120.570 -0.030 0.000 2.471 410 I HA 0.306 4.471 4.170 -0.009 0.000 0.286 410 I C 1.124 177.239 176.117 -0.003 0.000 1.079 410 I CA 0.099 61.395 61.300 -0.007 0.000 1.398 410 I CB 0.948 38.950 38.000 0.003 0.000 1.403 410 I HN 0.230 nan 8.210 nan 0.000 0.530 411 G N 6.666 115.470 108.800 0.007 0.000 2.619 411 G HA2 0.757 4.711 3.960 -0.009 0.000 0.296 411 G HA3 0.757 4.711 3.960 -0.009 0.000 0.296 411 G C -1.118 173.954 174.900 0.287 0.000 1.334 411 G CA -0.577 44.602 45.100 0.131 0.000 0.934 411 G HN 0.457 nan 8.290 nan 0.000 0.476 412 I N 0.726 121.499 120.570 0.339 0.000 2.406 412 I HA 0.394 4.559 4.170 -0.009 0.000 0.290 412 I C 0.558 176.732 176.117 0.095 0.000 0.999 412 I CA -0.814 60.582 61.300 0.160 0.000 1.124 412 I CB 2.058 39.947 38.000 -0.185 0.000 1.289 412 I HN 0.370 nan 8.210 nan 0.000 0.441 413 R N 4.952 125.373 120.500 -0.131 0.000 2.449 413 R HA 0.175 4.509 4.340 -0.009 0.000 0.296 413 R C 0.537 176.643 176.300 -0.323 0.000 1.047 413 R CA 0.089 55.820 56.100 -0.615 0.000 1.018 413 R CB 0.674 30.653 30.300 -0.535 0.000 0.962 413 R HN 0.672 nan 8.270 nan 0.000 0.428 414 V N 0.394 120.137 119.914 -0.286 0.000 3.432 414 V HA 0.357 4.472 4.120 -0.009 0.000 0.298 414 V C -0.274 175.705 176.094 -0.190 0.000 1.464 414 V CA -0.081 62.095 62.300 -0.207 0.000 1.046 414 V CB -0.008 31.767 31.823 -0.080 0.000 0.887 414 V HN 0.564 nan 8.190 nan 0.000 0.441 415 K N 1.688 121.972 120.400 -0.193 0.000 2.422 415 K HA 0.545 4.860 4.320 -0.009 0.000 0.251 415 K C -2.330 174.173 176.600 -0.162 0.000 0.933 415 K CA -1.484 54.717 56.287 -0.143 0.000 0.798 415 K CB 2.795 35.260 32.500 -0.060 0.000 1.238 415 K HN -0.137 nan 8.250 nan 0.000 0.428 416 P HA 0.017 nan 4.420 nan 0.000 0.231 416 P C -0.126 176.970 177.300 -0.340 0.000 1.168 416 P CA 0.710 63.724 63.100 -0.144 0.000 0.779 416 P CB 0.431 32.092 31.700 -0.066 0.000 0.844 417 I N 0.282 120.639 120.570 -0.355 0.000 2.378 417 I HA 0.321 4.486 4.170 -0.009 0.000 0.291 417 I C 0.670 176.576 176.117 -0.350 0.000 0.992 417 I CA -1.093 59.915 61.300 -0.487 0.000 1.154 417 I CB 2.089 39.879 38.000 -0.349 0.000 1.315 417 I HN -0.295 nan 8.210 nan 0.000 0.448 418 R N 8.238 128.501 120.500 -0.395 0.000 2.267 418 R HA 0.360 4.695 4.340 -0.009 0.000 0.319 418 R C -2.389 173.734 176.300 -0.296 0.000 1.067 418 R CA -1.377 54.469 56.100 -0.423 0.000 0.936 418 R CB 0.757 30.656 30.300 -0.668 0.000 1.006 418 R HN 0.278 nan 8.270 nan 0.000 0.452 419 P HA -0.006 nan 4.420 nan 0.000 0.274 419 P C -0.331 176.945 177.300 -0.040 0.000 1.237 419 P CA -0.475 62.589 63.100 -0.061 0.000 0.793 419 P CB 0.678 32.450 31.700 0.120 0.000 0.977 420 I N 1.239 121.787 120.570 -0.036 0.000 2.683 420 I HA 0.249 4.414 4.170 -0.009 0.000 0.286 420 I C 1.389 177.500 176.117 -0.011 0.000 1.175 420 I CA 1.760 63.025 61.300 -0.059 0.000 1.429 420 I CB -0.708 37.232 38.000 -0.099 0.000 1.371 420 I HN 0.820 nan 8.210 nan 0.000 0.569 421 G N 6.285 115.091 108.800 0.010 0.000 2.352 421 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.204 421 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.204 421 G C 0.210 175.216 174.900 0.177 0.000 1.004 421 G CA -0.080 45.062 45.100 0.071 0.000 0.648 421 G HN 1.000 nan 8.290 nan 0.000 0.491 422 I N 1.528 122.146 120.570 0.079 0.000 2.581 422 I HA 0.686 4.851 4.170 -0.009 0.000 0.288 422 I C 1.018 177.066 176.117 -0.115 0.000 1.047 422 I CA -1.388 59.858 61.300 -0.090 0.000 1.374 422 I CB 0.385 38.177 38.000 -0.347 0.000 1.423 422 I HN 0.419 nan 8.210 nan 0.000 0.549 423 F N 2.923 122.573 119.950 -0.499 0.000 2.527 423 F HA 0.287 4.809 4.527 -0.008 0.000 0.316 423 F C 1.061 176.636 175.800 -0.375 0.000 1.258 423 F CA -0.480 57.096 58.000 -0.707 0.000 1.314 423 F CB 0.165 38.568 39.000 -0.996 0.000 1.200 423 F HN 0.574 nan 8.300 nan 0.000 0.577 424 S N 0.202 115.549 115.700 -0.589 0.000 2.524 424 S HA 0.435 4.900 4.470 -0.009 0.000 0.216 424 S C 0.427 174.656 174.600 -0.619 0.000 0.987 424 S CA 0.386 58.342 58.200 -0.408 0.000 0.909 424 S CB -0.156 62.894 63.200 -0.249 0.000 0.781 424 S HN 1.255 nan 8.310 nan 0.000 0.521 425 G N 0.455 108.282 108.800 -1.621 0.000 2.357 425 G HA2 0.077 4.032 3.960 -0.009 0.000 0.643 425 G HA3 0.077 4.032 3.960 -0.009 0.000 0.643 425 G C -1.610 172.748 174.900 -0.903 0.000 1.358 425 G CA -1.227 42.995 45.100 -1.463 0.000 0.986 425 G HN 0.082 nan 8.290 nan 0.000 0.620 426 Y N 0.054 120.237 120.300 -0.195 0.000 2.436 426 Y HA 0.393 4.936 4.550 -0.012 0.000 0.336 426 Y C 1.460 177.310 175.900 -0.085 0.000 1.049 426 Y CA -0.477 57.632 58.100 0.015 0.000 1.294 426 Y CB 0.901 39.420 38.460 0.099 0.000 1.179 426 Y HN 0.402 nan 8.280 nan 0.000 0.520 427 V N 5.071 125.022 119.914 0.063 0.000 2.557 427 V HA -0.106 4.008 4.120 -0.009 0.000 0.301 427 V C 0.380 176.474 176.094 -0.001 0.000 1.026 427 V CA 0.393 62.680 62.300 -0.021 0.000 1.137 427 V CB 0.048 31.830 31.823 -0.068 0.000 0.917 427 V HN 0.935 nan 8.190 nan 0.000 0.484 428 D N 2.811 123.200 120.400 -0.018 0.000 3.079 428 D HA -0.223 4.412 4.640 -0.009 0.000 0.214 428 D C 0.469 176.770 176.300 0.001 0.000 1.145 428 D CA 1.722 55.713 54.000 -0.014 0.000 0.958 428 D CB -1.278 39.512 40.800 -0.018 0.000 1.117 428 D HN 0.884 nan 8.370 nan 0.000 0.416 429 N N -0.242 118.473 118.700 0.026 0.000 2.672 429 N HA 0.120 4.854 4.740 -0.009 0.000 0.295 429 N C -1.892 173.652 175.510 0.058 0.000 1.924 429 N CA -1.164 51.913 53.050 0.046 0.000 0.851 429 N CB 1.081 39.606 38.487 0.063 0.000 1.281 429 N HN -0.131 nan 8.380 nan 0.000 0.494 430 P HA -0.134 nan 4.420 nan 0.000 0.218 430 P C 0.310 177.588 177.300 -0.036 0.000 1.148 430 P CA 1.199 64.264 63.100 -0.058 0.000 0.822 430 P CB 0.435 32.089 31.700 -0.078 0.000 0.784 431 D N -0.100 120.294 120.400 -0.010 0.000 2.117 431 D HA -0.108 4.527 4.640 -0.009 0.000 0.198 431 D C 2.058 178.373 176.300 0.025 0.000 0.982 431 D CA 1.078 55.074 54.000 -0.008 0.000 0.828 431 D CB -0.586 40.207 40.800 -0.011 0.000 0.967 431 D HN 0.085 nan 8.370 nan 0.000 0.464 432 K N -0.094 120.348 120.400 0.070 0.000 2.097 432 K HA -0.057 4.258 4.320 -0.009 0.000 0.206 432 K C 2.431 179.219 176.600 0.313 0.000 1.049 432 K CA 1.177 57.541 56.287 0.128 0.000 0.933 432 K CB -1.003 31.524 32.500 0.045 0.000 0.717 432 K HN 0.339 nan 8.250 nan 0.000 0.442 433 T N 0.722 115.469 114.554 0.323 0.000 2.674 433 T HA -0.120 4.225 4.350 -0.009 0.000 0.265 433 T C 2.116 176.868 174.700 0.087 0.000 1.039 433 T CA 1.441 63.672 62.100 0.218 0.000 1.150 433 T CB -0.563 68.195 68.868 -0.184 0.000 0.864 433 T HN 0.486 nan 8.240 nan 0.000 0.427 434 A N 1.472 124.266 122.820 -0.042 0.000 1.978 434 A HA 0.147 4.462 4.320 -0.009 0.000 0.220 434 A C 2.594 180.162 177.584 -0.026 0.000 1.170 434 A CA 1.746 53.741 52.037 -0.070 0.000 0.636 434 A CB -1.017 17.933 19.000 -0.083 0.000 0.810 434 A HN 0.521 nan 8.150 nan 0.000 0.448 435 A N -0.273 122.541 122.820 -0.009 0.000 2.070 435 A HA -0.120 4.195 4.320 -0.009 0.000 0.220 435 A C 1.559 179.088 177.584 -0.092 0.000 1.159 435 A CA 1.588 53.603 52.037 -0.036 0.000 0.656 435 A CB -0.390 18.596 19.000 -0.024 0.000 0.800 435 A HN 0.490 nan 8.150 nan 0.000 0.453 436 N N -0.532 118.082 118.700 -0.144 0.000 2.270 436 N HA 0.245 4.979 4.740 -0.009 0.000 0.198 436 N C -0.391 174.897 175.510 -0.370 0.000 1.117 436 N CA 0.157 52.952 53.050 -0.425 0.000 0.845 436 N CB 0.203 38.108 38.487 -0.970 0.000 0.980 436 N HN 0.454 nan 8.380 nan 0.000 0.486 437 I N 0.743 121.260 120.570 -0.089 0.000 2.336 437 I HA 0.296 4.461 4.170 -0.009 0.000 0.292 437 I C 0.320 176.454 176.117 0.029 0.000 0.991 437 I CA -0.667 60.665 61.300 0.054 0.000 1.227 437 I CB 1.408 39.496 38.000 0.148 0.000 1.366 437 I HN -0.239 nan 8.210 nan 0.000 0.466 438 R N 4.991 125.531 120.500 0.068 0.000 2.451 438 R HA 0.524 4.859 4.340 -0.009 0.000 0.307 438 R C 0.568 176.956 176.300 0.147 0.000 0.965 438 R CA 0.226 56.366 56.100 0.068 0.000 0.865 438 R CB 1.439 31.753 30.300 0.024 0.000 1.174 438 R HN 0.883 nan 8.270 nan 0.000 0.455 439 G N 3.824 112.692 108.800 0.113 0.000 2.660 439 G HA2 -0.387 3.568 3.960 -0.009 0.000 0.321 439 G HA3 -0.387 3.568 3.960 -0.009 0.000 0.321 439 G C 0.180 175.157 174.900 0.128 0.000 1.246 439 G CA 0.736 45.914 45.100 0.130 0.000 1.000 439 G HN 0.716 nan 8.290 nan 0.000 0.550 440 D N 0.866 121.347 120.400 0.136 0.000 2.328 440 D HA 0.346 4.980 4.640 -0.009 0.000 0.221 440 D C 0.231 176.364 176.300 -0.278 0.000 1.072 440 D CA 0.407 54.358 54.000 -0.083 0.000 0.850 440 D CB 0.029 40.695 40.800 -0.223 0.000 0.922 440 D HN 0.167 nan 8.370 nan 0.000 0.516 441 F N 0.045 120.046 119.950 0.085 0.000 2.532 441 F HA 0.283 4.805 4.527 -0.009 0.000 0.321 441 F C 0.083 175.975 175.800 0.153 0.000 1.089 441 F CA -1.413 56.646 58.000 0.098 0.000 0.926 441 F CB 1.766 40.794 39.000 0.047 0.000 1.168 441 F HN -0.114 nan 8.300 nan 0.000 0.459 442 W N 6.378 127.786 121.300 0.180 0.000 2.335 442 W HA 0.502 5.155 4.660 -0.012 0.000 0.306 442 W C -1.652 174.947 176.519 0.133 0.000 1.216 442 W CA -0.790 56.649 57.345 0.156 0.000 1.237 442 W CB 0.754 30.287 29.460 0.121 0.000 1.243 442 W HN 0.397 nan 8.180 nan 0.000 0.493 443 L N 7.458 128.325 121.223 -0.592 0.000 2.290 443 L HA 0.054 4.389 4.340 -0.009 0.000 0.284 443 L C 1.190 177.705 176.870 -0.591 0.000 1.078 443 L CA -0.639 53.931 54.840 -0.449 0.000 0.815 443 L CB 1.076 42.914 42.059 -0.368 0.000 1.162 443 L HN 0.467 nan 8.230 nan 0.000 0.435 444 L N 2.926 124.044 121.223 -0.175 0.000 2.291 444 L HA 0.041 4.375 4.340 -0.009 0.000 0.214 444 L C 1.731 178.588 176.870 -0.021 0.000 1.120 444 L CA 1.489 56.326 54.840 -0.004 0.000 0.799 444 L CB -0.435 41.712 42.059 0.147 0.000 0.925 444 L HN 1.024 nan 8.230 nan 0.000 0.446 445 G N -1.548 107.211 108.800 -0.069 0.000 2.175 445 G HA2 -0.218 3.737 3.960 -0.009 0.000 0.244 445 G HA3 -0.218 3.737 3.960 -0.009 0.000 0.244 445 G C -0.071 174.831 174.900 0.003 0.000 0.982 445 G CA 0.092 45.162 45.100 -0.049 0.000 0.641 445 G HN 0.321 nan 8.290 nan 0.000 0.527 446 D N 0.379 120.810 120.400 0.052 0.000 2.185 446 D HA 0.524 5.159 4.640 -0.009 0.000 0.247 446 D C 0.552 176.815 176.300 -0.063 0.000 1.027 446 D CA -0.553 53.481 54.000 0.056 0.000 0.861 446 D CB 1.015 42.004 40.800 0.314 0.000 1.202 446 D HN 0.067 nan 8.370 nan 0.000 0.453 447 R N 0.560 120.943 120.500 -0.196 0.000 2.490 447 R HA 0.733 5.068 4.340 -0.009 0.000 0.278 447 R C 0.483 176.656 176.300 -0.211 0.000 1.069 447 R CA -0.574 55.411 56.100 -0.191 0.000 1.080 447 R CB 1.134 31.304 30.300 -0.215 0.000 1.030 447 R HN 0.607 nan 8.270 nan 0.000 0.491 448 G N 0.691 109.428 108.800 -0.104 0.000 2.608 448 G HA2 0.618 4.573 3.960 -0.009 0.000 0.291 448 G HA3 0.618 4.573 3.960 -0.009 0.000 0.291 448 G C -1.286 173.613 174.900 -0.001 0.000 1.425 448 G CA -0.656 44.417 45.100 -0.045 0.000 0.787 448 G HN 0.377 nan 8.290 nan 0.000 0.484 449 I N 0.097 120.677 120.570 0.015 0.000 2.647 449 I HA 0.473 4.638 4.170 -0.009 0.000 0.295 449 I C -0.350 175.758 176.117 -0.015 0.000 1.078 449 I CA -0.832 60.467 61.300 -0.002 0.000 1.048 449 I CB 2.712 40.700 38.000 -0.020 0.000 1.239 449 I HN 0.375 nan 8.210 nan 0.000 0.421 450 K N 4.267 124.602 120.400 -0.108 0.000 2.221 450 K HA 0.331 4.646 4.320 -0.009 0.000 0.258 450 K C -1.012 175.523 176.600 -0.109 0.000 0.944 450 K CA -0.635 55.476 56.287 -0.293 0.000 0.823 450 K CB 1.432 33.601 32.500 -0.552 0.000 1.113 450 K HN 0.656 nan 8.250 nan 0.000 0.431 451 D N 2.316 122.687 120.400 -0.050 0.000 2.478 451 D HA -0.051 4.583 4.640 -0.009 0.000 0.269 451 D C 1.059 177.313 176.300 -0.076 0.000 1.232 451 D CA -0.135 53.841 54.000 -0.041 0.000 1.059 451 D CB 0.563 41.307 40.800 -0.094 0.000 1.104 451 D HN 0.656 nan 8.370 nan 0.000 0.566 452 E N -0.065 120.089 120.200 -0.077 0.000 2.160 452 E HA -0.234 4.111 4.350 -0.009 0.000 0.195 452 E C 0.187 176.763 176.600 -0.040 0.000 0.991 452 E CA 1.233 57.598 56.400 -0.058 0.000 0.810 452 E CB -0.406 29.256 29.700 -0.062 0.000 0.742 452 E HN 0.495 nan 8.360 nan 0.000 0.466 453 D N 0.209 120.585 120.400 -0.039 0.000 2.339 453 D HA 0.143 4.778 4.640 -0.009 0.000 0.217 453 D C 1.010 177.389 176.300 0.133 0.000 1.050 453 D CA 0.841 54.871 54.000 0.048 0.000 0.856 453 D CB 0.707 41.529 40.800 0.036 0.000 0.922 453 D HN 0.451 nan 8.370 nan 0.000 0.518 454 G N 0.611 109.433 108.800 0.037 0.000 2.157 454 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.239 454 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.239 454 G C 0.046 174.887 174.900 -0.099 0.000 0.982 454 G CA -0.382 44.685 45.100 -0.054 0.000 0.650 454 G HN 0.376 nan 8.290 nan 0.000 0.527 455 Y N -0.456 119.738 120.300 -0.177 0.000 2.346 455 Y HA 0.546 5.091 4.550 -0.008 0.000 0.330 455 Y C 0.839 176.718 175.900 -0.035 0.000 1.178 455 Y CA -0.732 57.348 58.100 -0.032 0.000 1.331 455 Y CB 0.502 38.921 38.460 -0.069 0.000 1.253 455 Y HN 0.077 nan 8.280 nan 0.000 0.529 456 F N 1.930 122.060 119.950 0.301 0.000 2.404 456 F HA 0.277 4.799 4.527 -0.008 0.000 0.339 456 F C 0.157 176.044 175.800 0.144 0.000 1.105 456 F CA -0.596 57.512 58.000 0.180 0.000 1.087 456 F CB 1.191 40.188 39.000 -0.005 0.000 1.143 456 F HN 0.357 nan 8.300 nan 0.000 0.491 457 Q N 3.872 123.727 119.800 0.092 0.000 2.333 457 Q HA 0.296 4.631 4.340 -0.009 0.000 0.265 457 Q C -1.195 174.780 176.000 -0.041 0.000 0.989 457 Q CA -0.909 54.768 55.803 -0.210 0.000 0.842 457 Q CB 1.132 29.540 28.738 -0.551 0.000 1.262 457 Q HN 0.637 nan 8.270 nan 0.000 0.451 458 F N 4.768 124.609 119.950 -0.182 0.000 2.538 458 F HA 0.099 4.621 4.527 -0.009 0.000 0.371 458 F C 0.236 175.969 175.800 -0.113 0.000 1.087 458 F CA 0.426 58.330 58.000 -0.160 0.000 1.250 458 F CB 0.655 39.567 39.000 -0.147 0.000 1.110 458 F HN 0.633 nan 8.300 nan 0.000 0.570 459 M N 5.537 124.724 119.600 -0.688 0.000 2.502 459 M HA 0.310 4.785 4.480 -0.009 0.000 0.351 459 M C 0.263 176.164 176.300 -0.666 0.000 1.118 459 M CA 0.347 55.345 55.300 -0.504 0.000 0.952 459 M CB -0.377 32.062 32.600 -0.270 0.000 1.424 459 M HN 0.787 nan 8.290 nan 0.000 0.529 460 G N 1.641 109.608 108.800 -1.388 0.000 2.629 460 G HA2 -0.117 3.837 3.960 -0.009 0.000 0.686 460 G HA3 -0.117 3.837 3.960 -0.009 0.000 0.686 460 G C -0.865 173.739 174.900 -0.494 0.000 1.232 460 G CA -1.145 43.488 45.100 -0.779 0.000 0.803 460 G HN 0.392 nan 8.290 nan 0.000 0.638 461 R N 0.744 121.181 120.500 -0.105 0.000 2.522 461 R HA 0.418 4.753 4.340 -0.009 0.000 0.284 461 R C 1.860 178.114 176.300 -0.075 0.000 1.032 461 R CA 0.482 56.572 56.100 -0.018 0.000 1.049 461 R CB 0.741 31.070 30.300 0.050 0.000 0.956 461 R HN 1.072 nan 8.270 nan 0.000 0.422 462 A N 3.285 126.059 122.820 -0.077 0.000 1.908 462 A HA -0.207 4.108 4.320 -0.009 0.000 0.218 462 A C 1.273 178.814 177.584 -0.071 0.000 1.181 462 A CA 1.624 53.610 52.037 -0.085 0.000 0.627 462 A CB -0.185 18.765 19.000 -0.083 0.000 0.818 462 A HN 0.707 nan 8.150 nan 0.000 0.445 463 D N -0.094 120.268 120.400 -0.064 0.000 2.310 463 D HA -0.052 4.583 4.640 -0.009 0.000 0.212 463 D C 0.656 176.922 176.300 -0.056 0.000 0.965 463 D CA 0.892 54.850 54.000 -0.070 0.000 0.879 463 D CB -0.164 40.594 40.800 -0.070 0.000 0.921 463 D HN 0.393 nan 8.370 nan 0.000 0.510 464 D N -0.409 119.968 120.400 -0.038 0.000 2.350 464 D HA 0.022 4.657 4.640 -0.009 0.000 0.213 464 D C 0.604 176.897 176.300 -0.012 0.000 1.031 464 D CA -0.091 53.899 54.000 -0.016 0.000 0.861 464 D CB 0.647 41.446 40.800 -0.003 0.000 0.926 464 D HN 0.141 nan 8.370 nan 0.000 0.520 465 I N 1.698 122.252 120.570 -0.028 0.000 2.529 465 I HA 0.127 4.292 4.170 -0.009 0.000 0.284 465 I C 0.752 176.874 176.117 0.008 0.000 1.082 465 I CA -0.470 60.820 61.300 -0.016 0.000 1.406 465 I CB 0.332 38.312 38.000 -0.033 0.000 1.405 465 I HN -0.217 nan 8.210 nan 0.000 0.548 466 I N 6.306 126.897 120.570 0.035 0.000 2.392 466 I HA 0.266 4.431 4.170 -0.009 0.000 0.295 466 I C 0.235 176.398 176.117 0.076 0.000 0.985 466 I CA -0.420 60.917 61.300 0.062 0.000 1.221 466 I CB 0.916 38.958 38.000 0.069 0.000 1.366 466 I HN 0.424 nan 8.210 nan 0.000 0.467 467 N N 4.351 123.099 118.700 0.081 0.000 2.511 467 N HA 0.272 5.007 4.740 -0.009 0.000 0.249 467 N C -1.198 174.374 175.510 0.103 0.000 0.971 467 N CA -0.170 52.928 53.050 0.081 0.000 0.938 467 N CB 1.904 40.419 38.487 0.047 0.000 1.131 467 N HN 0.457 nan 8.380 nan 0.000 0.505 468 S N 0.692 116.471 115.700 0.133 0.000 2.707 468 S HA 0.274 4.739 4.470 -0.009 0.000 0.303 468 S C -0.097 174.617 174.600 0.189 0.000 1.132 468 S CA -0.339 57.938 58.200 0.129 0.000 1.046 468 S CB 0.273 63.532 63.200 0.099 0.000 1.004 468 S HN 0.497 nan 8.310 nan 0.000 0.483 469 S N 3.081 118.858 115.700 0.129 0.000 3.614 469 S HA -0.177 4.288 4.470 -0.009 0.000 0.360 469 S C 1.134 175.769 174.600 0.059 0.000 1.023 469 S CA 1.161 59.439 58.200 0.130 0.000 1.114 469 S CB -1.812 61.512 63.200 0.207 0.000 0.907 469 S HN 2.160 nan 8.310 nan 0.000 0.470 470 G N -1.230 107.560 108.800 -0.017 0.000 2.168 470 G HA2 -0.353 3.602 3.960 -0.009 0.000 0.263 470 G HA3 -0.353 3.602 3.960 -0.009 0.000 0.263 470 G C -0.157 174.578 174.900 -0.275 0.000 0.977 470 G CA 0.724 45.731 45.100 -0.156 0.000 0.659 470 G HN 0.733 nan 8.290 nan 0.000 0.533 471 Y N -0.209 120.034 120.300 -0.095 0.000 2.387 471 Y HA 0.684 5.229 4.550 -0.009 0.000 0.330 471 Y C 1.114 177.013 175.900 -0.002 0.000 1.133 471 Y CA -0.902 57.119 58.100 -0.131 0.000 1.152 471 Y CB 1.131 39.446 38.460 -0.241 0.000 1.215 471 Y HN 0.057 nan 8.280 nan 0.000 0.466 472 R N 2.812 123.422 120.500 0.183 0.000 2.294 472 R HA 0.586 4.921 4.340 -0.009 0.000 0.319 472 R C -1.544 174.883 176.300 0.213 0.000 0.984 472 R CA -0.599 55.586 56.100 0.142 0.000 0.861 472 R CB 0.871 31.210 30.300 0.064 0.000 1.104 472 R HN 0.535 nan 8.270 nan 0.000 0.451 473 I N 1.429 122.090 120.570 0.151 0.000 2.418 473 I HA 0.281 4.446 4.170 -0.009 0.000 0.287 473 I C 0.546 176.688 176.117 0.041 0.000 1.008 473 I CA -0.346 61.021 61.300 0.111 0.000 1.104 473 I CB 2.210 40.261 38.000 0.085 0.000 1.264 473 I HN 0.613 nan 8.210 nan 0.000 0.438 474 G N 6.764 115.573 108.800 0.015 0.000 2.349 474 G HA2 0.375 4.330 3.960 -0.009 0.000 0.281 474 G HA3 0.375 4.330 3.960 -0.009 0.000 0.281 474 G C -1.520 173.376 174.900 -0.008 0.000 1.182 474 G CA -0.972 44.122 45.100 -0.011 0.000 0.899 474 G HN 0.454 nan 8.290 nan 0.000 0.455 475 P HA -0.096 nan 4.420 nan 0.000 0.220 475 P C 1.886 179.194 177.300 0.013 0.000 1.148 475 P CA 0.774 63.880 63.100 0.011 0.000 0.803 475 P CB 0.413 32.129 31.700 0.026 0.000 0.782 476 S N 0.140 115.850 115.700 0.017 0.000 2.370 476 S HA -0.191 4.273 4.470 -0.009 0.000 0.226 476 S C 2.028 176.638 174.600 0.016 0.000 1.033 476 S CA 1.336 59.552 58.200 0.028 0.000 1.011 476 S CB -0.718 62.509 63.200 0.044 0.000 0.852 476 S HN 0.357 nan 8.310 nan 0.000 0.457 477 E N 0.429 120.628 120.200 -0.002 0.000 2.106 477 E HA -0.123 4.222 4.350 -0.009 0.000 0.192 477 E C 1.922 178.511 176.600 -0.018 0.000 0.984 477 E CA 1.162 57.553 56.400 -0.014 0.000 0.806 477 E CB 0.042 29.721 29.700 -0.035 0.000 0.750 477 E HN 0.332 nan 8.360 nan 0.000 0.458 478 V N 1.161 121.063 119.914 -0.020 0.000 2.307 478 V HA -0.221 3.894 4.120 -0.009 0.000 0.245 478 V C 2.052 178.154 176.094 0.012 0.000 1.045 478 V CA 2.010 64.299 62.300 -0.019 0.000 1.024 478 V CB -0.567 31.238 31.823 -0.029 0.000 0.651 478 V HN 0.244 nan 8.190 nan 0.000 0.449 479 E N 0.629 120.842 120.200 0.021 0.000 2.058 479 E HA -0.240 4.105 4.350 -0.009 0.000 0.194 479 E C 2.156 178.783 176.600 0.044 0.000 0.997 479 E CA 1.591 58.013 56.400 0.036 0.000 0.801 479 E CB -0.272 29.451 29.700 0.039 0.000 0.746 479 E HN 0.560 nan 8.360 nan 0.000 0.450 480 N N 0.693 119.416 118.700 0.038 0.000 2.104 480 N HA -0.158 4.577 4.740 -0.009 0.000 0.190 480 N C 1.708 177.257 175.510 0.066 0.000 1.024 480 N CA 1.395 54.472 53.050 0.045 0.000 0.853 480 N CB -0.491 38.016 38.487 0.032 0.000 1.008 480 N HN 0.165 nan 8.380 nan 0.000 0.424 481 A N 1.038 123.890 122.820 0.054 0.000 1.902 481 A HA -0.064 4.251 4.320 -0.009 0.000 0.217 481 A C 2.402 180.122 177.584 0.226 0.000 1.181 481 A CA 0.985 53.068 52.037 0.077 0.000 0.623 481 A CB -0.739 18.247 19.000 -0.024 0.000 0.818 481 A HN 0.225 nan 8.150 nan 0.000 0.443 482 L N -1.084 120.230 121.223 0.153 0.000 2.056 482 L HA -0.152 4.183 4.340 -0.009 0.000 0.207 482 L C 2.624 179.559 176.870 0.108 0.000 1.078 482 L CA 0.909 55.838 54.840 0.149 0.000 0.749 482 L CB -0.355 41.747 42.059 0.072 0.000 0.901 482 L HN 0.324 nan 8.230 nan 0.000 0.433 483 M N -0.619 119.033 119.600 0.087 0.000 2.446 483 M HA -0.167 4.308 4.480 -0.009 0.000 0.263 483 M C 1.933 178.267 176.300 0.057 0.000 1.066 483 M CA 1.366 56.701 55.300 0.059 0.000 1.087 483 M CB -0.845 31.786 32.600 0.051 0.000 1.406 483 M HN 0.318 nan 8.290 nan 0.000 0.459 484 E N -0.952 119.310 120.200 0.104 0.000 2.204 484 E HA -0.136 4.209 4.350 -0.009 0.000 0.195 484 E C 0.923 177.487 176.600 -0.059 0.000 0.990 484 E CA 0.421 56.868 56.400 0.079 0.000 0.821 484 E CB -0.108 29.733 29.700 0.234 0.000 0.750 484 E HN 0.434 nan 8.360 nan 0.000 0.477 485 H N 1.169 120.086 119.070 -0.254 0.000 2.610 485 H HA 0.036 4.587 4.556 -0.008 0.000 0.336 485 H C -1.648 173.524 175.328 -0.261 0.000 1.087 485 H CA -1.982 53.827 56.048 -0.397 0.000 1.405 485 H CB 1.381 30.829 29.762 -0.523 0.000 1.460 485 H HN -0.113 nan 8.280 nan 0.000 0.538 486 P HA -0.065 nan 4.420 nan 0.000 0.226 486 P C 0.943 178.167 177.300 -0.127 0.000 1.153 486 P CA 0.980 64.007 63.100 -0.121 0.000 0.777 486 P CB 0.095 31.752 31.700 -0.071 0.000 0.794 487 A N -0.095 122.523 122.820 -0.337 0.000 2.067 487 A HA 0.033 4.348 4.320 -0.009 0.000 0.219 487 A C 1.218 178.611 177.584 -0.318 0.000 1.158 487 A CA 0.728 52.230 52.037 -0.892 0.000 0.661 487 A CB -0.741 17.377 19.000 -1.471 0.000 0.801 487 A HN 0.106 nan 8.150 nan 0.000 0.452 488 V N 0.616 120.442 119.914 -0.148 0.000 2.364 488 V HA 0.166 4.281 4.120 -0.009 0.000 0.272 488 V C 1.169 177.255 176.094 -0.013 0.000 1.036 488 V CA -0.190 62.074 62.300 -0.061 0.000 0.880 488 V CB 1.310 33.114 31.823 -0.032 0.000 0.991 488 V HN 0.161 nan 8.190 nan 0.000 0.460 489 V N 3.567 123.486 119.914 0.007 0.000 2.599 489 V HA 0.163 4.278 4.120 -0.009 0.000 0.245 489 V C 0.728 176.841 176.094 0.032 0.000 1.046 489 V CA 1.126 63.440 62.300 0.023 0.000 1.065 489 V CB 0.099 31.940 31.823 0.030 0.000 0.703 489 V HN 0.949 nan 8.190 nan 0.000 0.464 490 E N -1.645 118.580 120.200 0.040 0.000 2.390 490 E HA 0.495 4.840 4.350 -0.009 0.000 0.280 490 E C -1.218 175.418 176.600 0.059 0.000 0.992 490 E CA -0.210 56.217 56.400 0.045 0.000 0.790 490 E CB 2.432 32.158 29.700 0.043 0.000 1.248 490 E HN 0.085 nan 8.360 nan 0.000 0.447 491 T N 0.594 115.184 114.554 0.060 0.000 2.885 491 T HA 0.768 5.113 4.350 -0.009 0.000 0.322 491 T C -2.038 172.709 174.700 0.078 0.000 1.387 491 T CA -0.005 62.142 62.100 0.079 0.000 1.041 491 T CB 1.429 70.336 68.868 0.065 0.000 1.287 491 T HN 0.588 nan 8.240 nan 0.000 0.491 492 A N 2.622 125.512 122.820 0.117 0.000 2.398 492 A HA 0.782 5.097 4.320 -0.009 0.000 0.301 492 A C -1.212 176.472 177.584 0.167 0.000 1.041 492 A CA -0.551 51.552 52.037 0.109 0.000 0.711 492 A CB 1.724 20.759 19.000 0.058 0.000 1.240 492 A HN 0.792 nan 8.150 nan 0.000 0.420 493 V N 3.648 123.628 119.914 0.111 0.000 2.459 493 V HA 0.690 4.805 4.120 -0.009 0.000 0.295 493 V C -0.108 176.051 176.094 0.107 0.000 1.029 493 V CA -0.169 62.188 62.300 0.096 0.000 0.874 493 V CB 0.976 32.822 31.823 0.039 0.000 0.985 493 V HN 0.936 nan 8.190 nan 0.000 0.438 494 I N 1.663 122.315 120.570 0.137 0.000 3.191 494 I HA 0.809 4.974 4.170 -0.009 0.000 0.313 494 I C 0.032 176.239 176.117 0.151 0.000 1.193 494 I CA -0.765 60.628 61.300 0.154 0.000 0.968 494 I CB 2.435 40.566 38.000 0.217 0.000 1.262 494 I HN 0.555 nan 8.210 nan 0.000 0.456 495 S N 1.726 117.554 115.700 0.213 0.000 2.580 495 S HA 0.620 5.084 4.470 -0.009 0.000 0.274 495 S C -0.139 174.665 174.600 0.340 0.000 1.329 495 S CA -0.366 58.006 58.200 0.287 0.000 1.036 495 S CB 1.224 64.659 63.200 0.393 0.000 0.919 495 S HN 0.852 nan 8.310 nan 0.000 0.515 496 S N 2.394 118.143 115.700 0.082 0.000 2.547 496 S HA 0.645 5.110 4.470 -0.009 0.000 0.281 496 S C -3.039 171.228 174.600 -0.555 0.000 1.118 496 S CA -1.690 56.329 58.200 -0.301 0.000 0.947 496 S CB 1.527 64.588 63.200 -0.233 0.000 1.053 496 S HN 0.707 nan 8.310 nan 0.000 0.482 497 P HA 0.291 nan 4.420 nan 0.000 0.275 497 P C -1.302 175.727 177.300 -0.450 0.000 1.227 497 P CA -0.016 62.456 63.100 -1.047 0.000 0.781 497 P CB 0.578 31.476 31.700 -1.336 0.000 0.906 498 D N 2.833 123.084 120.400 -0.249 0.000 2.696 498 D HA 0.310 4.945 4.640 -0.009 0.000 0.251 498 D C -2.442 173.806 176.300 -0.087 0.000 1.188 498 D CA -2.601 51.312 54.000 -0.146 0.000 0.876 498 D CB 0.926 41.667 40.800 -0.099 0.000 1.334 498 D HN 0.115 nan 8.370 nan 0.000 0.540 499 P HA -0.034 nan 4.420 nan 0.000 0.258 499 P C -0.105 177.175 177.300 -0.032 0.000 1.187 499 P CA -0.131 62.942 63.100 -0.046 0.000 0.767 499 P CB 0.427 32.099 31.700 -0.047 0.000 0.770 500 V N 6.158 126.062 119.914 -0.017 0.000 2.493 500 V HA -0.054 4.061 4.120 -0.009 0.000 0.292 500 V C 1.657 177.750 176.094 -0.003 0.000 1.016 500 V CA 0.868 63.164 62.300 -0.007 0.000 1.097 500 V CB -0.568 31.258 31.823 0.005 0.000 0.947 500 V HN 0.519 nan 8.190 nan 0.000 0.479 501 R N 3.228 123.726 120.500 -0.002 0.000 2.565 501 R HA 0.384 4.719 4.340 -0.009 0.000 0.347 501 R C 1.482 177.802 176.300 0.033 0.000 1.010 501 R CA 0.432 56.542 56.100 0.016 0.000 1.126 501 R CB 0.957 31.265 30.300 0.013 0.000 1.331 501 R HN 1.032 nan 8.270 nan 0.000 0.552 502 G N 1.956 110.776 108.800 0.034 0.000 5.426 502 G HA2 -0.377 3.578 3.960 -0.009 0.000 0.297 502 G HA3 -0.377 3.578 3.960 -0.009 0.000 0.297 502 G C -0.046 174.916 174.900 0.103 0.000 1.422 502 G CA 0.507 45.654 45.100 0.078 0.000 0.938 502 G HN 0.457 nan 8.290 nan 0.000 0.754 503 E N -0.839 119.428 120.200 0.112 0.000 2.416 503 E HA 0.747 5.092 4.350 -0.009 0.000 0.273 503 E C -1.191 175.432 176.600 0.037 0.000 0.935 503 E CA -1.033 55.427 56.400 0.099 0.000 0.784 503 E CB 2.649 32.549 29.700 0.332 0.000 1.301 503 E HN 0.639 nan 8.360 nan 0.000 0.454 504 V N 0.791 120.694 119.914 -0.019 0.000 3.074 504 V HA 0.281 4.396 4.120 -0.009 0.000 0.314 504 V C -0.302 175.758 176.094 -0.058 0.000 1.117 504 V CA -1.066 61.198 62.300 -0.059 0.000 1.014 504 V CB 2.121 33.871 31.823 -0.122 0.000 1.057 504 V HN 0.630 nan 8.190 nan 0.000 0.438 505 V N 2.828 122.680 119.914 -0.103 0.000 2.521 505 V HA 0.241 4.355 4.120 -0.009 0.000 0.286 505 V C 0.128 176.129 176.094 -0.157 0.000 1.034 505 V CA 0.120 62.355 62.300 -0.108 0.000 1.045 505 V CB 0.625 32.363 31.823 -0.142 0.000 0.974 505 V HN 0.832 nan 8.190 nan 0.000 0.480 506 K N 4.096 124.429 120.400 -0.112 0.000 2.378 506 K HA 0.777 5.092 4.320 -0.009 0.000 0.252 506 K C -0.746 175.766 176.600 -0.147 0.000 0.931 506 K CA -0.612 55.565 56.287 -0.184 0.000 0.794 506 K CB 1.898 34.268 32.500 -0.217 0.000 1.181 506 K HN 0.741 nan 8.250 nan 0.000 0.425 507 A N 4.258 126.946 122.820 -0.220 0.000 2.288 507 A HA 0.579 4.894 4.320 -0.009 0.000 0.320 507 A C -1.271 176.133 177.584 -0.300 0.000 1.217 507 A CA -0.653 51.297 52.037 -0.145 0.000 0.840 507 A CB 0.141 19.078 19.000 -0.105 0.000 1.179 507 A HN 0.633 nan 8.150 nan 0.000 0.504 508 F N 2.137 122.042 119.950 -0.076 0.000 2.411 508 F HA 0.476 4.998 4.527 -0.008 0.000 0.355 508 F C 0.200 175.982 175.800 -0.029 0.000 1.117 508 F CA -0.086 57.876 58.000 -0.063 0.000 1.139 508 F CB 1.731 40.714 39.000 -0.029 0.000 1.120 508 F HN 0.247 nan 8.300 nan 0.000 0.493 509 V N 4.719 124.705 119.914 0.120 0.000 2.531 509 V HA 0.364 4.478 4.120 -0.009 0.000 0.301 509 V C -0.537 175.697 176.094 0.233 0.000 1.034 509 V CA -0.933 61.465 62.300 0.163 0.000 0.865 509 V CB 1.951 33.886 31.823 0.186 0.000 0.995 509 V HN 0.413 nan 8.190 nan 0.000 0.424 510 V N 6.506 126.512 119.914 0.153 0.000 2.385 510 V HA 0.373 4.488 4.120 -0.009 0.000 0.269 510 V C 0.151 176.292 176.094 0.077 0.000 1.043 510 V CA -0.321 62.050 62.300 0.118 0.000 0.906 510 V CB 1.131 33.002 31.823 0.081 0.000 0.995 510 V HN 0.610 nan 8.190 nan 0.000 0.467 511 L N 4.122 125.375 121.223 0.049 0.000 2.395 511 L HA 0.578 4.913 4.340 -0.009 0.000 0.269 511 L C 1.004 177.880 176.870 0.011 0.000 1.133 511 L CA -0.278 54.545 54.840 -0.029 0.000 0.812 511 L CB 0.947 42.927 42.059 -0.131 0.000 1.125 511 L HN 0.737 nan 8.230 nan 0.000 0.452 512 A N 2.165 125.001 122.820 0.027 0.000 2.520 512 A HA 0.095 4.410 4.320 -0.009 0.000 0.235 512 A C 1.325 178.967 177.584 0.096 0.000 1.065 512 A CA 0.027 52.115 52.037 0.086 0.000 0.764 512 A CB 0.254 19.349 19.000 0.158 0.000 1.002 512 A HN 0.880 nan 8.150 nan 0.000 0.502 513 S N 0.405 116.143 115.700 0.063 0.000 2.383 513 S HA -0.224 4.240 4.470 -0.009 0.000 0.229 513 S C 2.315 176.930 174.600 0.026 0.000 1.030 513 S CA 1.729 59.951 58.200 0.037 0.000 1.002 513 S CB -0.391 62.824 63.200 0.026 0.000 0.829 513 S HN 1.061 nan 8.310 nan 0.000 0.467 514 Q N -0.160 119.651 119.800 0.019 0.000 2.364 514 Q HA 0.090 4.425 4.340 -0.009 0.000 0.207 514 Q C 1.466 177.340 176.000 -0.210 0.000 0.970 514 Q CA 0.989 56.746 55.803 -0.077 0.000 0.888 514 Q CB -1.314 27.353 28.738 -0.117 0.000 0.951 514 Q HN 0.768 nan 8.270 nan 0.000 0.469 515 F N 0.134 119.972 119.950 -0.186 0.000 2.776 515 F HA 0.427 4.949 4.527 -0.008 0.000 0.300 515 F C 1.773 177.426 175.800 -0.245 0.000 1.116 515 F CA -0.141 57.604 58.000 -0.426 0.000 1.375 515 F CB 0.154 38.864 39.000 -0.483 0.000 1.109 515 F HN 0.116 nan 8.300 nan 0.000 0.585 516 L N -0.404 120.820 121.223 0.002 0.000 2.191 516 L HA -0.215 4.120 4.340 -0.009 0.000 0.212 516 L C 2.486 179.365 176.870 0.015 0.000 1.103 516 L CA 1.510 56.336 54.840 -0.023 0.000 0.769 516 L CB -0.690 41.364 42.059 -0.008 0.000 0.908 516 L HN 0.196 nan 8.230 nan 0.000 0.438 517 S N -2.607 113.133 115.700 0.067 0.000 2.489 517 S HA -0.052 4.413 4.470 -0.009 0.000 0.228 517 S C 0.845 175.514 174.600 0.116 0.000 0.995 517 S CA -0.099 58.145 58.200 0.073 0.000 0.934 517 S CB -0.541 62.684 63.200 0.042 0.000 0.771 517 S HN 0.418 nan 8.310 nan 0.000 0.522 518 H N 1.605 120.644 119.070 -0.051 0.000 2.679 518 H HA 0.187 4.738 4.556 -0.008 0.000 0.369 518 H C -0.395 174.925 175.328 -0.013 0.000 1.178 518 H CA -0.329 55.706 56.048 -0.021 0.000 1.419 518 H CB 0.361 30.153 29.762 0.050 0.000 1.458 518 H HN 0.296 nan 8.280 nan 0.000 0.605 519 D N 2.192 122.659 120.400 0.111 0.000 2.434 519 D HA -0.019 4.616 4.640 -0.009 0.000 0.252 519 D C -1.625 174.741 176.300 0.109 0.000 1.185 519 D CA -1.220 52.829 54.000 0.082 0.000 0.886 519 D CB 1.000 41.836 40.800 0.059 0.000 1.148 519 D HN 0.238 nan 8.370 nan 0.000 0.483 520 P HA -0.052 nan 4.420 nan 0.000 0.224 520 P C 0.971 178.424 177.300 0.255 0.000 1.157 520 P CA 0.397 63.618 63.100 0.202 0.000 0.799 520 P CB 0.279 32.136 31.700 0.261 0.000 0.809 521 E N 0.056 120.347 120.200 0.151 0.000 2.072 521 E HA -0.220 4.125 4.350 -0.009 0.000 0.191 521 E C 2.226 178.889 176.600 0.106 0.000 0.985 521 E CA 1.201 57.666 56.400 0.109 0.000 0.801 521 E CB -1.184 28.557 29.700 0.067 0.000 0.750 521 E HN 0.509 nan 8.360 nan 0.000 0.452 522 Q N -0.205 119.658 119.800 0.105 0.000 2.079 522 Q HA -0.144 4.191 4.340 -0.009 0.000 0.200 522 Q C 2.353 178.428 176.000 0.126 0.000 0.974 522 Q CA 1.457 57.320 55.803 0.100 0.000 0.840 522 Q CB -0.233 28.561 28.738 0.092 0.000 0.898 522 Q HN 0.380 nan 8.270 nan 0.000 0.430 523 L N 0.903 122.221 121.223 0.158 0.000 2.093 523 L HA -0.109 4.226 4.340 -0.009 0.000 0.208 523 L C 2.127 179.093 176.870 0.159 0.000 1.085 523 L CA 2.076 57.005 54.840 0.148 0.000 0.755 523 L CB -0.859 41.255 42.059 0.091 0.000 0.904 523 L HN 0.189 nan 8.230 nan 0.000 0.435 524 T N -0.298 114.394 114.554 0.229 0.000 2.684 524 T HA -0.226 4.119 4.350 -0.009 0.000 0.267 524 T C 1.884 176.624 174.700 0.066 0.000 1.036 524 T CA 1.899 64.079 62.100 0.134 0.000 1.148 524 T CB -0.152 68.754 68.868 0.063 0.000 0.863 524 T HN 0.360 nan 8.240 nan 0.000 0.436 525 K N 0.694 121.135 120.400 0.067 0.000 2.097 525 K HA -0.107 4.208 4.320 -0.009 0.000 0.206 525 K C 2.429 179.054 176.600 0.042 0.000 1.049 525 K CA 1.210 57.525 56.287 0.045 0.000 0.933 525 K CB -0.118 32.407 32.500 0.040 0.000 0.717 525 K HN 0.453 nan 8.250 nan 0.000 0.442 526 E N 1.127 121.362 120.200 0.058 0.000 2.077 526 E HA -0.176 4.169 4.350 -0.009 0.000 0.193 526 E C 1.945 178.572 176.600 0.046 0.000 0.989 526 E CA 0.847 57.289 56.400 0.070 0.000 0.800 526 E CB 0.061 29.822 29.700 0.101 0.000 0.746 526 E HN 0.224 nan 8.360 nan 0.000 0.452 527 L N 0.379 121.584 121.223 -0.030 0.000 2.109 527 L HA -0.174 4.161 4.340 -0.009 0.000 0.207 527 L C 2.716 179.629 176.870 0.073 0.000 1.086 527 L CA 1.058 55.867 54.840 -0.051 0.000 0.760 527 L CB -0.353 41.641 42.059 -0.108 0.000 0.910 527 L HN 0.185 nan 8.230 nan 0.000 0.437 528 Q N -0.224 119.615 119.800 0.064 0.000 2.030 528 Q HA -0.293 4.042 4.340 -0.009 0.000 0.204 528 Q C 2.623 178.616 176.000 -0.012 0.000 0.986 528 Q CA 2.434 58.294 55.803 0.095 0.000 0.843 528 Q CB -0.420 28.388 28.738 0.118 0.000 0.904 528 Q HN 0.646 nan 8.270 nan 0.000 0.420 529 Q N 0.655 120.440 119.800 -0.025 0.000 2.096 529 Q HA -0.274 4.061 4.340 -0.009 0.000 0.204 529 Q C 1.642 177.647 176.000 0.007 0.000 0.982 529 Q CA 2.229 58.005 55.803 -0.044 0.000 0.850 529 Q CB -1.282 27.452 28.738 -0.006 0.000 0.901 529 Q HN 0.672 nan 8.270 nan 0.000 0.422 530 H N -0.091 118.984 119.070 0.008 0.000 2.319 530 H HA -0.083 4.468 4.556 -0.009 0.000 0.299 530 H C 1.951 177.288 175.328 0.014 0.000 1.092 530 H CA 2.222 58.294 56.048 0.040 0.000 1.302 530 H CB -0.219 29.613 29.762 0.117 0.000 1.373 530 H HN 0.290 nan 8.280 nan 0.000 0.497 531 V N 0.992 120.835 119.914 -0.119 0.000 2.295 531 V HA -0.230 3.885 4.120 -0.009 0.000 0.246 531 V C 2.352 178.350 176.094 -0.159 0.000 1.049 531 V CA 2.192 64.395 62.300 -0.162 0.000 1.024 531 V CB -0.472 31.352 31.823 0.001 0.000 0.648 531 V HN 0.428 nan 8.190 nan 0.000 0.447 532 K N 0.869 121.195 120.400 -0.123 0.000 2.160 532 K HA -0.193 4.122 4.320 -0.009 0.000 0.206 532 K C 2.346 178.862 176.600 -0.139 0.000 1.047 532 K CA 1.757 57.955 56.287 -0.148 0.000 0.930 532 K CB -0.342 32.023 32.500 -0.225 0.000 0.720 532 K HN 0.652 nan 8.250 nan 0.000 0.450 533 S N 0.297 115.907 115.700 -0.151 0.000 2.453 533 S HA -0.068 4.397 4.470 -0.009 0.000 0.231 533 S C 1.830 176.348 174.600 -0.137 0.000 1.005 533 S CA 0.999 59.124 58.200 -0.126 0.000 0.949 533 S CB -0.078 63.063 63.200 -0.098 0.000 0.774 533 S HN 0.183 nan 8.310 nan 0.000 0.510 534 V N -1.132 118.668 119.914 -0.191 0.000 3.556 534 V HA 0.424 4.539 4.120 -0.009 0.000 0.287 534 V C 0.458 176.477 176.094 -0.125 0.000 1.422 534 V CA 0.329 62.535 62.300 -0.155 0.000 1.038 534 V CB -0.463 31.239 31.823 -0.201 0.000 0.850 534 V HN 0.663 nan 8.190 nan 0.000 0.437 535 T N -2.130 112.340 114.554 -0.139 0.000 2.865 535 T HA 0.807 5.152 4.350 -0.009 0.000 0.294 535 T C 0.020 174.616 174.700 -0.172 0.000 1.119 535 T CA -0.088 61.923 62.100 -0.147 0.000 1.007 535 T CB 1.656 70.426 68.868 -0.163 0.000 1.225 535 T HN 1.156 nan 8.240 nan 0.000 0.515 536 A N 1.995 124.674 122.820 -0.235 0.000 2.561 536 A HA 0.398 4.713 4.320 -0.009 0.000 0.251 536 A C -1.458 175.919 177.584 -0.345 0.000 1.062 536 A CA -0.863 51.003 52.037 -0.284 0.000 0.761 536 A CB -0.725 18.007 19.000 -0.446 0.000 0.986 536 A HN 0.705 nan 8.150 nan 0.000 0.510 537 P HA -0.139 nan 4.420 nan 0.000 0.231 537 P C 0.711 178.007 177.300 -0.006 0.000 1.158 537 P CA 1.235 64.284 63.100 -0.084 0.000 0.763 537 P CB -0.171 31.491 31.700 -0.062 0.000 0.805 538 Y N -1.083 119.129 120.300 -0.147 0.000 2.571 538 Y HA 0.105 4.650 4.550 -0.009 0.000 0.294 538 Y C 1.365 177.145 175.900 -0.199 0.000 1.141 538 Y CA 0.563 58.488 58.100 -0.292 0.000 1.308 538 Y CB -1.042 36.879 38.460 -0.898 0.000 1.002 538 Y HN -0.135 nan 8.280 nan 0.000 0.551 539 K N 0.600 120.719 120.400 -0.468 0.000 2.393 539 K HA 0.028 4.343 4.320 -0.009 0.000 0.193 539 K C -0.172 176.337 176.600 -0.152 0.000 1.026 539 K CA -0.109 55.974 56.287 -0.340 0.000 1.064 539 K CB -0.138 32.096 32.500 -0.443 0.000 0.833 539 K HN 0.503 nan 8.250 nan 0.000 0.521 540 Y N 2.160 122.356 120.300 -0.173 0.000 2.397 540 Y HA 0.169 4.715 4.550 -0.008 0.000 0.335 540 Y C -2.491 173.354 175.900 -0.092 0.000 1.213 540 Y CA -2.973 55.054 58.100 -0.122 0.000 1.391 540 Y CB -0.097 38.300 38.460 -0.106 0.000 1.293 540 Y HN -0.127 nan 8.280 nan 0.000 0.557 541 P HA 0.118 nan 4.420 nan 0.000 0.269 541 P C -0.455 176.585 177.300 -0.434 0.000 1.263 541 P CA 0.078 63.005 63.100 -0.289 0.000 0.813 541 P CB 0.804 32.423 31.700 -0.136 0.000 0.868 542 R N 2.208 122.353 120.500 -0.590 0.000 2.189 542 R HA 0.036 4.371 4.340 -0.009 0.000 0.218 542 R C 0.587 176.758 176.300 -0.215 0.000 1.074 542 R CA 0.823 56.652 56.100 -0.452 0.000 0.991 542 R CB 0.045 30.111 30.300 -0.391 0.000 0.883 542 R HN 0.487 nan 8.270 nan 0.000 0.457 543 K N 0.965 121.222 120.400 -0.239 0.000 2.324 543 K HA 0.476 4.791 4.320 -0.009 0.000 0.253 543 K C -0.800 175.624 176.600 -0.293 0.000 0.932 543 K CA -0.430 55.713 56.287 -0.240 0.000 0.799 543 K CB 2.532 34.879 32.500 -0.256 0.000 1.154 543 K HN -0.108 nan 8.250 nan 0.000 0.425 544 I N 1.900 122.266 120.570 -0.340 0.000 2.466 544 I HA 0.228 4.393 4.170 -0.009 0.000 0.289 544 I C -0.697 175.042 176.117 -0.630 0.000 1.026 544 I CA -0.611 60.398 61.300 -0.486 0.000 1.078 544 I CB 2.108 39.814 38.000 -0.490 0.000 1.249 544 I HN 0.627 nan 8.210 nan 0.000 0.429 545 E N 6.099 125.891 120.200 -0.681 0.000 2.176 545 E HA 0.451 4.796 4.350 -0.009 0.000 0.267 545 E C -1.471 174.854 176.600 -0.458 0.000 0.893 545 E CA -0.696 55.364 56.400 -0.567 0.000 0.761 545 E CB 1.273 30.666 29.700 -0.512 0.000 1.133 545 E HN 0.265 nan 8.360 nan 0.000 0.409 546 F N 3.688 123.611 119.950 -0.044 0.000 2.427 546 F HA 0.290 4.811 4.527 -0.008 0.000 0.352 546 F C 0.448 176.278 175.800 0.049 0.000 1.100 546 F CA -0.454 57.547 58.000 0.003 0.000 1.191 546 F CB 1.089 40.088 39.000 -0.002 0.000 1.128 546 F HN 0.205 nan 8.300 nan 0.000 0.533 547 V N 1.727 121.800 119.914 0.264 0.000 3.159 547 V HA 0.492 4.607 4.120 -0.009 0.000 0.308 547 V C -0.245 175.935 176.094 0.143 0.000 1.190 547 V CA -1.000 61.415 62.300 0.191 0.000 1.037 547 V CB 2.081 34.035 31.823 0.218 0.000 1.060 547 V HN 0.736 nan 8.190 nan 0.000 0.437 548 L N 1.323 122.607 121.223 0.100 0.000 2.416 548 L HA 0.350 4.684 4.340 -0.009 0.000 0.216 548 L C 0.843 177.747 176.870 0.056 0.000 1.098 548 L CA 0.650 55.533 54.840 0.071 0.000 0.840 548 L CB -0.111 41.982 42.059 0.056 0.000 0.981 548 L HN 1.012 nan 8.230 nan 0.000 0.462 549 N N -0.705 118.026 118.700 0.052 0.000 2.708 549 N HA 0.362 5.097 4.740 -0.009 0.000 0.257 549 N C -1.520 174.000 175.510 0.017 0.000 1.373 549 N CA -0.656 52.413 53.050 0.033 0.000 0.843 549 N CB 2.069 40.567 38.487 0.019 0.000 1.503 549 N HN -0.133 nan 8.380 nan 0.000 0.504 550 L N 0.389 121.612 121.223 -0.001 0.000 2.331 550 L HA 0.559 4.894 4.340 -0.009 0.000 0.275 550 L C -2.139 174.701 176.870 -0.052 0.000 1.022 550 L CA -1.949 52.866 54.840 -0.042 0.000 0.812 550 L CB 1.829 43.871 42.059 -0.028 0.000 1.257 550 L HN 0.435 nan 8.230 nan 0.000 0.435 551 P HA 0.252 nan 4.420 nan 0.000 0.276 551 P C -1.335 175.931 177.300 -0.057 0.000 1.235 551 P CA -0.265 62.793 63.100 -0.071 0.000 0.772 551 P CB 0.962 32.605 31.700 -0.095 0.000 0.871 552 K N 0.637 121.012 120.400 -0.042 0.000 2.482 552 K HA 0.451 4.766 4.320 -0.009 0.000 0.257 552 K C 0.395 176.975 176.600 -0.034 0.000 0.969 552 K CA -0.741 55.525 56.287 -0.034 0.000 0.842 552 K CB 1.817 34.304 32.500 -0.021 0.000 1.359 552 K HN 0.442 nan 8.250 nan 0.000 0.441 553 T N -2.268 112.265 114.554 -0.034 0.000 2.726 553 T HA 0.015 4.360 4.350 -0.009 0.000 0.294 553 T C 1.286 175.978 174.700 -0.012 0.000 1.013 553 T CA -0.616 61.467 62.100 -0.029 0.000 0.996 553 T CB 0.894 69.740 68.868 -0.036 0.000 1.016 553 T HN 0.279 nan 8.240 nan 0.000 0.529 554 V N 1.453 121.369 119.914 0.002 0.000 2.568 554 V HA -0.128 3.987 4.120 -0.009 0.000 0.253 554 V C 2.629 178.751 176.094 0.047 0.000 1.072 554 V CA 2.685 65.001 62.300 0.027 0.000 1.084 554 V CB -1.398 30.451 31.823 0.044 0.000 0.676 554 V HN 1.193 nan 8.190 nan 0.000 0.469 555 T N -2.981 111.595 114.554 0.036 0.000 3.113 555 T HA 0.280 4.625 4.350 -0.009 0.000 0.256 555 T C 1.468 176.165 174.700 -0.006 0.000 1.131 555 T CA 0.854 62.972 62.100 0.030 0.000 1.074 555 T CB 0.328 69.153 68.868 -0.072 0.000 0.944 555 T HN 1.358 nan 8.240 nan 0.000 0.516 556 G N 1.099 109.894 108.800 -0.009 0.000 2.134 556 G HA2 -0.199 3.756 3.960 -0.009 0.000 0.209 556 G HA3 -0.199 3.756 3.960 -0.009 0.000 0.209 556 G C -0.142 174.745 174.900 -0.023 0.000 0.993 556 G CA -0.284 44.811 45.100 -0.007 0.000 0.669 556 G HN 0.618 nan 8.290 nan 0.000 0.519 557 K N 0.293 120.668 120.400 -0.041 0.000 2.276 557 K HA 0.502 4.817 4.320 -0.009 0.000 0.283 557 K C 0.855 177.435 176.600 -0.034 0.000 1.044 557 K CA -0.540 55.720 56.287 -0.044 0.000 0.944 557 K CB 1.089 33.550 32.500 -0.065 0.000 1.012 557 K HN 0.283 nan 8.250 nan 0.000 0.472 558 I N 3.372 123.926 120.570 -0.025 0.000 2.556 558 I HA -0.084 4.081 4.170 -0.009 0.000 0.284 558 I C 0.582 176.677 176.117 -0.037 0.000 1.114 558 I CA 0.293 61.575 61.300 -0.029 0.000 1.418 558 I CB 0.565 38.554 38.000 -0.017 0.000 1.394 558 I HN 0.407 nan 8.210 nan 0.000 0.552 559 Q N 6.743 126.512 119.800 -0.053 0.000 2.844 559 Q HA 0.179 4.514 4.340 -0.009 0.000 0.235 559 Q C 0.924 176.883 176.000 -0.068 0.000 1.336 559 Q CA -0.203 55.565 55.803 -0.057 0.000 1.026 559 Q CB 0.391 29.090 28.738 -0.065 0.000 1.513 559 Q HN 0.498 nan 8.270 nan 0.000 0.577 560 R N 0.729 121.201 120.500 -0.046 0.000 2.096 560 R HA -0.186 4.148 4.340 -0.009 0.000 0.235 560 R C 2.013 178.291 176.300 -0.037 0.000 1.127 560 R CA 1.307 57.383 56.100 -0.040 0.000 0.968 560 R CB -0.222 30.075 30.300 -0.004 0.000 0.861 560 R HN 0.505 nan 8.270 nan 0.000 0.440 561 A N 1.693 124.491 122.820 -0.037 0.000 1.908 561 A HA -0.255 4.060 4.320 -0.009 0.000 0.218 561 A C 2.100 179.660 177.584 -0.040 0.000 1.181 561 A CA 1.704 53.718 52.037 -0.039 0.000 0.627 561 A CB -0.417 18.555 19.000 -0.046 0.000 0.818 561 A HN 0.248 nan 8.150 nan 0.000 0.445 562 K N -0.427 119.938 120.400 -0.057 0.000 2.032 562 K HA -0.103 4.212 4.320 -0.009 0.000 0.209 562 K C 1.908 178.463 176.600 -0.075 0.000 1.048 562 K CA 1.560 57.808 56.287 -0.064 0.000 0.927 562 K CB -0.329 32.124 32.500 -0.080 0.000 0.712 562 K HN 0.494 nan 8.250 nan 0.000 0.441 563 L N 0.244 121.389 121.223 -0.130 0.000 2.017 563 L HA -0.158 4.176 4.340 -0.009 0.000 0.208 563 L C 2.817 179.693 176.870 0.011 0.000 1.073 563 L CA 1.377 56.093 54.840 -0.207 0.000 0.745 563 L CB -0.456 41.322 42.059 -0.468 0.000 0.894 563 L HN 0.240 nan 8.230 nan 0.000 0.432 564 R N 0.292 120.836 120.500 0.074 0.000 2.073 564 R HA -0.190 4.145 4.340 -0.009 0.000 0.234 564 R C 1.915 178.363 176.300 0.247 0.000 1.134 564 R CA 2.007 58.236 56.100 0.213 0.000 0.952 564 R CB -0.164 30.198 30.300 0.103 0.000 0.850 564 R HN 0.295 nan 8.270 nan 0.000 0.433 565 D N 0.208 120.668 120.400 0.100 0.000 2.104 565 D HA -0.195 4.440 4.640 -0.009 0.000 0.194 565 D C 1.711 178.093 176.300 0.136 0.000 0.994 565 D CA 1.448 55.501 54.000 0.088 0.000 0.830 565 D CB -0.127 40.685 40.800 0.020 0.000 0.959 565 D HN 0.262 nan 8.370 nan 0.000 0.452 566 K N 0.480 120.939 120.400 0.099 0.000 2.103 566 K HA -0.157 4.157 4.320 -0.009 0.000 0.204 566 K C 1.927 178.600 176.600 0.121 0.000 1.052 566 K CA 1.010 57.350 56.287 0.088 0.000 0.945 566 K CB 0.101 32.628 32.500 0.045 0.000 0.722 566 K HN -0.158 nan 8.250 nan 0.000 0.443 567 E N -0.123 120.180 120.200 0.171 0.000 2.118 567 E HA -0.183 4.162 4.350 -0.009 0.000 0.195 567 E C 0.711 177.325 176.600 0.023 0.000 0.992 567 E CA 1.552 58.027 56.400 0.126 0.000 0.804 567 E CB -0.186 29.634 29.700 0.199 0.000 0.741 567 E HN 0.438 nan 8.360 nan 0.000 0.458 568 W N 0.985 122.298 121.300 0.023 0.000 3.353 568 W HA 0.296 4.952 4.660 -0.008 0.000 0.304 568 W C 0.109 176.631 176.519 0.005 0.000 1.273 568 W CA -0.073 57.277 57.345 0.009 0.000 1.773 568 W CB 0.165 29.628 29.460 0.004 0.000 1.095 568 W HN -0.144 nan 8.180 nan 0.000 0.676 569 K N 0.000 120.496 120.400 0.160 0.000 2.780 569 K HA 0.000 4.315 4.320 -0.009 0.000 0.191 569 K CA 0.000 56.349 56.287 0.103 0.000 0.838 569 K CB 0.000 32.544 32.500 0.073 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543