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 1kmh_1_A DATA FIRST_RESID 25 DATA SEQUENCE KVVNTGTVLQ VGDGIARIHG LDEVMAGELV EFEEGTIGIA LNLESNNVGV DATA SEQUENCE VLMGDGLMIQ EGSSVKATGR IAQIPVSEAY LGRVINALAK PIDGRGEITA DATA SEQUENCE SESRLIESPA PGIMSRRSVY EPLQTGLIAI DAMIPVGRGQ RELIIGDRQT DATA SEQUENCE GKTAVATDTI LNQQGQNVIC VYVAIGQKAS SVAQVVTNFQ ERGAMEYTIV DATA SEQUENCE VAETADSPAT LQYLAPYTGA ALAEYFMYRE RHTLIIYDDL SKQAQAYRQM DATA SEQUENCE SLLLRRPPGR EAYPGDVFYL HSRLLERAAK LSSLLGEGSM TALPIVETQA DATA SEQUENCE GDVSAYIPTN VISITDGQIF LSADLFNAGI RPAINVGISV SRVGSAAQIK DATA SEQUENCE AMKKVAGKLK LELAQFAELE AFAQFASDLD KATQNQLARG QRLRELLKQP DATA SEQUENCE QSAPLTVEEQ VMTIYTGTNG YLDSLELDQV RKYLVELRTY VKTNKPEFQE DATA SEQUENCE IISSTKTFTE EAEALLKEAI QEQMERF 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 25 K HA 0.000 nan 4.320 nan 0.000 0.191 25 K C 0.000 176.575 176.600 -0.041 0.000 0.988 25 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 25 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 26 V N 1.506 121.390 119.914 -0.050 0.000 3.564 26 V HA -0.081 4.039 4.120 0.001 0.000 0.283 26 V C 1.171 177.222 176.094 -0.072 0.000 1.227 26 V CA 0.757 63.010 62.300 -0.078 0.000 1.217 26 V CB -0.697 31.072 31.823 -0.090 0.000 0.994 26 V HN 0.483 nan 8.190 nan 0.000 0.446 27 V N -0.828 119.054 119.914 -0.054 0.000 3.013 27 V HA 0.224 4.344 4.120 0.001 0.000 0.238 27 V C 1.439 177.505 176.094 -0.047 0.000 1.161 27 V CA 0.658 62.929 62.300 -0.047 0.000 1.170 27 V CB 0.035 31.836 31.823 -0.035 0.000 0.917 27 V HN 0.546 nan 8.190 nan 0.000 0.478 28 N N 0.323 118.996 118.700 -0.045 0.000 2.160 28 N HA 0.155 4.895 4.740 0.001 0.000 0.226 28 N C 0.271 175.750 175.510 -0.052 0.000 1.256 28 N CA 0.700 53.722 53.050 -0.046 0.000 0.890 28 N CB 1.717 40.182 38.487 -0.038 0.000 1.116 28 N HN 0.679 nan 8.380 nan 0.000 0.517 29 T N -3.002 111.520 114.554 -0.053 0.000 2.841 29 T HA 0.863 5.213 4.350 0.001 0.000 0.296 29 T C -0.028 174.638 174.700 -0.056 0.000 1.166 29 T CA -0.838 61.230 62.100 -0.053 0.000 1.007 29 T CB 2.671 71.517 68.868 -0.037 0.000 1.253 29 T HN 0.001 nan 8.240 nan 0.000 0.511 30 G N -0.125 108.648 108.800 -0.044 0.000 2.559 30 G HA2 0.577 4.538 3.960 0.001 0.000 0.291 30 G HA3 0.577 4.538 3.960 0.001 0.000 0.291 30 G C -1.080 173.832 174.900 0.020 0.000 1.424 30 G CA -0.698 44.384 45.100 -0.029 0.000 0.786 30 G HN 0.874 nan 8.290 nan 0.000 0.485 31 T N -0.452 114.142 114.554 0.066 0.000 2.927 31 T HA 0.596 4.946 4.350 0.001 0.000 0.281 31 T C -0.256 174.525 174.700 0.136 0.000 0.998 31 T CA -0.460 61.703 62.100 0.105 0.000 1.019 31 T CB 1.960 70.909 68.868 0.135 0.000 1.061 31 T HN 0.423 nan 8.240 nan 0.000 0.518 32 V N 2.828 122.821 119.914 0.132 0.000 2.350 32 V HA 0.246 4.366 4.120 0.001 0.000 0.276 32 V C 0.965 177.111 176.094 0.087 0.000 1.028 32 V CA -0.281 62.103 62.300 0.140 0.000 0.860 32 V CB 0.897 32.810 31.823 0.149 0.000 0.990 32 V HN 0.764 nan 8.190 nan 0.000 0.453 33 L N 3.842 125.112 121.223 0.078 0.000 2.102 33 L HA 0.144 4.485 4.340 0.001 0.000 0.202 33 L C 0.665 177.541 176.870 0.011 0.000 1.076 33 L CA 0.924 55.780 54.840 0.027 0.000 0.761 33 L CB -0.059 42.008 42.059 0.014 0.000 0.921 33 L HN 0.764 nan 8.230 nan 0.000 0.444 34 Q N -0.801 119.008 119.800 0.016 0.000 2.479 34 Q HA 0.528 4.869 4.340 0.001 0.000 0.276 34 Q C -1.379 174.611 176.000 -0.018 0.000 0.989 34 Q CA -0.696 55.104 55.803 -0.005 0.000 0.864 34 Q CB 2.370 31.103 28.738 -0.009 0.000 1.444 34 Q HN -0.135 nan 8.270 nan 0.000 0.388 35 V N -0.236 119.655 119.914 -0.038 0.000 2.380 35 V HA 0.750 4.871 4.120 0.001 0.000 0.272 35 V C -0.093 175.970 176.094 -0.051 0.000 1.011 35 V CA -0.332 61.929 62.300 -0.066 0.000 0.826 35 V CB 1.129 32.884 31.823 -0.114 0.000 1.040 35 V HN 0.888 nan 8.190 nan 0.000 0.441 36 G N 1.771 110.548 108.800 -0.038 0.000 2.866 36 G HA2 0.625 4.586 3.960 0.001 0.000 0.318 36 G HA3 0.625 4.586 3.960 0.001 0.000 0.318 36 G C -0.347 174.536 174.900 -0.028 0.000 1.336 36 G CA -0.337 44.744 45.100 -0.031 0.000 1.067 36 G HN 0.664 nan 8.290 nan 0.000 0.515 37 D N 1.504 121.886 120.400 -0.030 0.000 2.832 37 D HA -0.174 4.467 4.640 0.001 0.000 0.235 37 D C 1.423 177.709 176.300 -0.024 0.000 1.081 37 D CA 1.414 55.400 54.000 -0.023 0.000 0.744 37 D CB -1.306 39.483 40.800 -0.017 0.000 1.086 37 D HN 1.691 nan 8.370 nan 0.000 0.438 38 G N -0.744 108.034 108.800 -0.036 0.000 2.189 38 G HA2 -0.325 3.636 3.960 0.001 0.000 0.267 38 G HA3 -0.325 3.636 3.960 0.001 0.000 0.267 38 G C 0.246 175.127 174.900 -0.033 0.000 0.975 38 G CA 0.769 45.847 45.100 -0.036 0.000 0.644 38 G HN 0.531 nan 8.290 nan 0.000 0.537 39 I N 0.339 120.891 120.570 -0.030 0.000 2.603 39 I HA 0.825 4.995 4.170 0.001 0.000 0.300 39 I C 0.284 176.390 176.117 -0.019 0.000 1.017 39 I CA -0.578 60.714 61.300 -0.013 0.000 1.098 39 I CB 2.253 40.250 38.000 -0.006 0.000 1.279 39 I HN 0.406 nan 8.210 nan 0.000 0.437 40 A N 4.046 126.876 122.820 0.016 0.000 2.414 40 A HA 0.813 5.134 4.320 0.001 0.000 0.306 40 A C -0.706 176.923 177.584 0.073 0.000 1.054 40 A CA -0.786 51.269 52.037 0.030 0.000 0.724 40 A CB 1.506 20.522 19.000 0.026 0.000 1.267 40 A HN 0.557 nan 8.150 nan 0.000 0.418 41 R N 1.853 122.390 120.500 0.062 0.000 2.215 41 R HA 0.400 4.741 4.340 0.001 0.000 0.337 41 R C -1.112 175.250 176.300 0.103 0.000 1.010 41 R CA -0.367 55.774 56.100 0.068 0.000 0.871 41 R CB 0.475 30.799 30.300 0.041 0.000 1.134 41 R HN 0.654 nan 8.270 nan 0.000 0.477 42 I N 2.108 122.750 120.570 0.120 0.000 2.532 42 I HA 0.120 4.290 4.170 0.001 0.000 0.292 42 I C 0.469 176.673 176.117 0.146 0.000 1.014 42 I CA -0.313 61.066 61.300 0.132 0.000 1.340 42 I CB 0.723 38.775 38.000 0.087 0.000 1.422 42 I HN 0.395 nan 8.210 nan 0.000 0.528 43 H N 3.788 122.875 119.070 0.027 0.000 2.569 43 H HA 0.740 5.296 4.556 0.001 0.000 0.357 43 H C 0.250 175.581 175.328 0.006 0.000 1.153 43 H CA 0.078 56.135 56.048 0.015 0.000 1.193 43 H CB 1.215 30.987 29.762 0.016 0.000 1.602 43 H HN 0.763 nan 8.280 nan 0.000 0.523 44 G N 2.570 111.069 108.800 -0.501 0.000 2.525 44 G HA2 -0.217 3.743 3.960 0.001 0.000 0.248 44 G HA3 -0.217 3.743 3.960 0.001 0.000 0.248 44 G C -0.187 174.617 174.900 -0.160 0.000 1.238 44 G CA -0.244 44.640 45.100 -0.361 0.000 0.926 44 G HN 1.396 nan 8.290 nan 0.000 0.574 45 L N -0.901 120.251 121.223 -0.118 0.000 3.608 45 L HA -0.209 4.132 4.340 0.001 0.000 0.422 45 L C 1.346 178.176 176.870 -0.067 0.000 1.260 45 L CA 0.950 55.741 54.840 -0.081 0.000 0.889 45 L CB -1.461 40.555 42.059 -0.072 0.000 1.821 45 L HN 0.766 nan 8.230 nan 0.000 0.884 46 D N 0.322 120.680 120.400 -0.069 0.000 2.158 46 D HA -0.193 4.448 4.640 0.001 0.000 0.197 46 D C 1.786 178.062 176.300 -0.039 0.000 0.995 46 D CA 1.880 55.849 54.000 -0.052 0.000 0.846 46 D CB 0.099 40.870 40.800 -0.049 0.000 0.941 46 D HN 0.591 nan 8.370 nan 0.000 0.456 47 E N 0.438 120.614 120.200 -0.040 0.000 2.268 47 E HA -0.051 4.299 4.350 0.001 0.000 0.195 47 E C 0.720 177.300 176.600 -0.032 0.000 0.995 47 E CA 0.069 56.449 56.400 -0.033 0.000 0.836 47 E CB 0.027 29.708 29.700 -0.032 0.000 0.763 47 E HN 0.264 nan 8.360 nan 0.000 0.491 48 V N 0.182 120.073 119.914 -0.038 0.000 3.103 48 V HA -0.165 3.955 4.120 0.001 0.000 0.292 48 V C 0.159 176.236 176.094 -0.028 0.000 1.269 48 V CA 0.434 62.712 62.300 -0.037 0.000 1.370 48 V CB -0.042 31.757 31.823 -0.041 0.000 0.945 48 V HN 0.015 nan 8.190 nan 0.000 0.521 49 M N 2.928 122.513 119.600 -0.026 0.000 2.578 49 M HA 0.737 5.218 4.480 0.001 0.000 0.321 49 M C 0.050 176.338 176.300 -0.020 0.000 1.182 49 M CA -0.548 54.739 55.300 -0.020 0.000 0.965 49 M CB 1.827 34.416 32.600 -0.018 0.000 1.694 49 M HN 0.920 nan 8.290 nan 0.000 0.461 50 A N 1.263 124.074 122.820 -0.016 0.000 2.444 50 A HA 0.523 4.844 4.320 0.001 0.000 0.273 50 A C 1.112 178.684 177.584 -0.020 0.000 1.136 50 A CA 0.588 52.614 52.037 -0.017 0.000 0.799 50 A CB -1.008 17.985 19.000 -0.013 0.000 1.081 50 A HN 1.317 nan 8.150 nan 0.000 0.509 51 G N 1.508 110.292 108.800 -0.026 0.000 2.168 51 G HA2 -0.167 3.794 3.960 0.001 0.000 0.197 51 G HA3 -0.167 3.794 3.960 0.001 0.000 0.197 51 G C 0.027 174.911 174.900 -0.027 0.000 0.997 51 G CA 0.206 45.288 45.100 -0.030 0.000 0.658 51 G HN 0.975 nan 8.290 nan 0.000 0.513 52 E N 0.183 120.367 120.200 -0.028 0.000 2.277 52 E HA 0.611 4.961 4.350 0.001 0.000 0.274 52 E C 0.437 177.016 176.600 -0.035 0.000 1.022 52 E CA -0.814 55.569 56.400 -0.029 0.000 0.853 52 E CB 0.578 30.259 29.700 -0.032 0.000 1.086 52 E HN 0.274 nan 8.360 nan 0.000 0.397 53 L N 3.787 124.989 121.223 -0.034 0.000 2.371 53 L HA 0.287 4.627 4.340 0.001 0.000 0.272 53 L C -0.048 176.781 176.870 -0.069 0.000 1.124 53 L CA -0.663 54.154 54.840 -0.039 0.000 0.816 53 L CB 1.080 43.124 42.059 -0.025 0.000 1.129 53 L HN 0.396 nan 8.230 nan 0.000 0.448 54 V N -0.099 119.752 119.914 -0.105 0.000 2.864 54 V HA 0.588 4.708 4.120 0.001 0.000 0.314 54 V C -0.629 175.314 176.094 -0.252 0.000 1.073 54 V CA -0.737 61.443 62.300 -0.201 0.000 0.956 54 V CB 1.940 33.588 31.823 -0.291 0.000 1.023 54 V HN 0.848 nan 8.190 nan 0.000 0.435 55 E N 2.302 122.333 120.200 -0.283 0.000 2.176 55 E HA 0.495 4.845 4.350 0.001 0.000 0.267 55 E C -1.601 174.832 176.600 -0.279 0.000 0.893 55 E CA -0.636 55.643 56.400 -0.201 0.000 0.761 55 E CB 1.562 31.209 29.700 -0.088 0.000 1.133 55 E HN 0.664 nan 8.360 nan 0.000 0.409 56 F N 2.006 121.957 119.950 0.001 0.000 2.368 56 F HA 0.177 4.704 4.527 0.001 0.000 0.315 56 F C 1.889 177.691 175.800 0.003 0.000 1.145 56 F CA -0.201 57.800 58.000 0.003 0.000 1.095 56 F CB 0.649 39.650 39.000 0.003 0.000 1.286 56 F HN 0.621 nan 8.300 nan 0.000 0.530 57 E N 0.222 120.544 120.200 0.203 0.000 2.038 57 E HA -0.203 4.147 4.350 0.001 0.000 0.195 57 E C 1.161 177.815 176.600 0.091 0.000 1.000 57 E CA 1.498 57.962 56.400 0.106 0.000 0.803 57 E CB -0.087 29.665 29.700 0.087 0.000 0.750 57 E HN 0.596 nan 8.360 nan 0.000 0.448 58 E N -0.243 120.016 120.200 0.099 0.000 2.461 58 E HA 0.005 4.355 4.350 0.001 0.000 0.196 58 E C 0.308 176.953 176.600 0.076 0.000 1.129 58 E CA 0.171 56.610 56.400 0.065 0.000 0.902 58 E CB -0.058 29.665 29.700 0.038 0.000 0.963 58 E HN 0.401 nan 8.360 nan 0.000 0.503 59 G N 1.965 110.825 108.800 0.101 0.000 2.295 59 G HA2 -0.263 3.697 3.960 0.001 0.000 0.287 59 G HA3 -0.263 3.697 3.960 0.001 0.000 0.287 59 G C 0.103 175.069 174.900 0.110 0.000 1.055 59 G CA 0.532 45.685 45.100 0.089 0.000 0.922 59 G HN 0.197 nan 8.290 nan 0.000 0.503 60 T N 0.315 114.983 114.554 0.190 0.000 2.767 60 T HA 0.617 4.967 4.350 0.001 0.000 0.284 60 T C 0.488 175.365 174.700 0.294 0.000 0.973 60 T CA -0.347 61.869 62.100 0.193 0.000 0.996 60 T CB 1.593 70.539 68.868 0.130 0.000 0.927 60 T HN 0.271 nan 8.240 nan 0.000 0.456 61 I N 2.539 123.212 120.570 0.172 0.000 2.440 61 I HA 0.648 4.818 4.170 0.001 0.000 0.294 61 I C 0.880 177.087 176.117 0.150 0.000 0.995 61 I CA 0.292 61.666 61.300 0.123 0.000 1.306 61 I CB 1.343 39.381 38.000 0.064 0.000 1.407 61 I HN 0.792 nan 8.210 nan 0.000 0.501 62 G N 5.439 114.309 108.800 0.117 0.000 2.698 62 G HA2 0.685 4.645 3.960 0.001 0.000 0.293 62 G HA3 0.685 4.645 3.960 0.001 0.000 0.293 62 G C -1.207 173.717 174.900 0.040 0.000 1.437 62 G CA -0.598 44.574 45.100 0.120 0.000 0.852 62 G HN 0.416 nan 8.290 nan 0.000 0.499 63 I N 0.483 121.063 120.570 0.018 0.000 2.676 63 I HA 0.628 4.798 4.170 0.001 0.000 0.309 63 I C 0.605 176.713 176.117 -0.015 0.000 0.990 63 I CA -0.979 60.311 61.300 -0.015 0.000 1.168 63 I CB 2.079 40.055 38.000 -0.040 0.000 1.343 63 I HN 0.580 nan 8.210 nan 0.000 0.482 64 A N 4.702 127.506 122.820 -0.026 0.000 2.288 64 A HA 0.711 5.031 4.320 0.001 0.000 0.320 64 A C 0.099 177.669 177.584 -0.023 0.000 1.217 64 A CA -0.468 51.558 52.037 -0.019 0.000 0.840 64 A CB 0.643 19.628 19.000 -0.025 0.000 1.179 64 A HN 0.791 nan 8.150 nan 0.000 0.504 65 L N 0.617 121.831 121.223 -0.016 0.000 2.758 65 L HA 0.414 4.754 4.340 0.001 0.000 0.234 65 L C 0.422 177.288 176.870 -0.007 0.000 1.049 65 L CA -0.201 54.628 54.840 -0.018 0.000 0.908 65 L CB -0.186 41.858 42.059 -0.025 0.000 1.362 65 L HN 0.457 nan 8.230 nan 0.000 0.499 66 N N 1.926 120.626 118.700 -0.001 0.000 2.868 66 N HA 0.320 5.061 4.740 0.001 0.000 0.252 66 N C -0.079 175.434 175.510 0.005 0.000 1.130 66 N CA -0.015 53.037 53.050 0.004 0.000 1.026 66 N CB 0.364 38.856 38.487 0.009 0.000 1.335 66 N HN 0.216 nan 8.380 nan 0.000 0.516 67 L N 1.462 122.686 121.223 0.001 0.000 2.930 67 L HA 0.077 4.417 4.340 0.001 0.000 0.250 67 L C 0.455 177.328 176.870 0.005 0.000 1.320 67 L CA 0.187 55.026 54.840 -0.000 0.000 1.163 67 L CB -0.937 41.118 42.059 -0.005 0.000 1.542 67 L HN 0.417 nan 8.230 nan 0.000 0.428 68 E N 0.079 120.285 120.200 0.010 0.000 2.458 68 E HA -0.110 4.241 4.350 0.001 0.000 0.264 68 E C 1.414 178.024 176.600 0.016 0.000 1.097 68 E CA 0.459 56.867 56.400 0.013 0.000 0.973 68 E CB 0.594 30.305 29.700 0.018 0.000 0.963 68 E HN 0.359 nan 8.360 nan 0.000 0.451 69 S N 2.718 118.428 115.700 0.016 0.000 2.393 69 S HA -0.303 4.168 4.470 0.001 0.000 0.234 69 S C 0.998 175.613 174.600 0.025 0.000 1.064 69 S CA 2.046 60.257 58.200 0.017 0.000 1.088 69 S CB -0.175 63.034 63.200 0.016 0.000 0.939 69 S HN 0.625 nan 8.310 nan 0.000 0.448 70 N N 1.604 120.330 118.700 0.044 0.000 2.118 70 N HA 0.189 4.930 4.740 0.001 0.000 0.226 70 N C -0.789 174.795 175.510 0.124 0.000 1.305 70 N CA 0.259 53.353 53.050 0.074 0.000 0.890 70 N CB 0.473 39.020 38.487 0.099 0.000 1.118 70 N HN 0.801 nan 8.380 nan 0.000 0.511 71 N N -0.678 118.078 118.700 0.094 0.000 2.357 71 N HA 0.435 5.176 4.740 0.001 0.000 0.284 71 N C -1.105 174.441 175.510 0.059 0.000 1.236 71 N CA -0.681 52.436 53.050 0.111 0.000 0.774 71 N CB 1.551 40.101 38.487 0.104 0.000 1.534 71 N HN -0.330 nan 8.380 nan 0.000 0.478 72 V N -0.308 119.639 119.914 0.055 0.000 2.435 72 V HA 0.753 4.873 4.120 0.001 0.000 0.290 72 V C 0.800 176.919 176.094 0.041 0.000 1.030 72 V CA -0.916 61.403 62.300 0.033 0.000 0.881 72 V CB 1.274 33.108 31.823 0.017 0.000 0.983 72 V HN 0.887 nan 8.190 nan 0.000 0.445 73 G N 3.322 112.140 108.800 0.029 0.000 2.393 73 G HA2 0.506 4.466 3.960 0.001 0.000 0.311 73 G HA3 0.506 4.466 3.960 0.001 0.000 0.311 73 G C -0.688 174.231 174.900 0.032 0.000 1.067 73 G CA -0.182 44.936 45.100 0.030 0.000 1.000 73 G HN 0.519 nan 8.290 nan 0.000 0.422 74 V N 3.461 123.410 119.914 0.058 0.000 2.435 74 V HA 0.277 4.398 4.120 0.001 0.000 0.290 74 V C 0.090 176.224 176.094 0.067 0.000 1.030 74 V CA -0.618 61.725 62.300 0.072 0.000 0.881 74 V CB 1.966 33.876 31.823 0.145 0.000 0.983 74 V HN 0.496 nan 8.190 nan 0.000 0.445 75 V N 6.630 126.565 119.914 0.035 0.000 2.368 75 V HA 0.333 4.453 4.120 0.001 0.000 0.266 75 V C 0.362 176.479 176.094 0.039 0.000 1.045 75 V CA -0.423 61.886 62.300 0.014 0.000 0.899 75 V CB 0.857 32.661 31.823 -0.031 0.000 1.006 75 V HN 0.590 nan 8.190 nan 0.000 0.470 76 L N 5.062 126.309 121.223 0.040 0.000 2.473 76 L HA 0.345 4.686 4.340 0.001 0.000 0.268 76 L C 0.362 177.251 176.870 0.033 0.000 1.215 76 L CA 0.141 55.012 54.840 0.051 0.000 0.823 76 L CB 0.425 42.467 42.059 -0.028 0.000 1.099 76 L HN 0.611 nan 8.230 nan 0.000 0.483 77 M N 1.804 121.433 119.600 0.048 0.000 2.944 77 M HA 0.430 4.911 4.480 0.001 0.000 0.235 77 M C -0.076 176.244 176.300 0.033 0.000 1.188 77 M CA -0.102 55.220 55.300 0.037 0.000 0.688 77 M CB 1.228 33.853 32.600 0.042 0.000 1.406 77 M HN 0.785 nan 8.290 nan 0.000 0.479 78 G N -0.745 108.065 108.800 0.017 0.000 2.333 78 G HA2 0.073 4.034 3.960 0.001 0.000 0.288 78 G HA3 0.073 4.034 3.960 0.001 0.000 0.288 78 G C -2.053 172.841 174.900 -0.009 0.000 1.286 78 G CA -1.060 44.046 45.100 0.010 0.000 0.865 78 G HN 0.280 nan 8.290 nan 0.000 0.506 79 D N 1.123 121.516 120.400 -0.012 0.000 2.342 79 D HA 0.321 4.961 4.640 0.001 0.000 0.260 79 D C 1.443 177.712 176.300 -0.051 0.000 1.278 79 D CA 0.643 54.629 54.000 -0.023 0.000 0.910 79 D CB 1.207 41.998 40.800 -0.015 0.000 1.079 79 D HN 0.702 nan 8.370 nan 0.000 0.496 80 G N 2.179 110.938 108.800 -0.069 0.000 2.625 80 G HA2 -0.141 3.819 3.960 0.001 0.000 0.214 80 G HA3 -0.141 3.819 3.960 0.001 0.000 0.214 80 G C 1.596 176.434 174.900 -0.102 0.000 1.132 80 G CA -0.082 44.947 45.100 -0.118 0.000 0.782 80 G HN 0.469 nan 8.290 nan 0.000 0.538 81 L N -0.490 120.695 121.223 -0.064 0.000 2.263 81 L HA -0.151 4.190 4.340 0.001 0.000 0.216 81 L C 2.873 179.710 176.870 -0.054 0.000 1.111 81 L CA 0.911 55.721 54.840 -0.049 0.000 0.773 81 L CB -0.465 41.576 42.059 -0.031 0.000 0.906 81 L HN 0.305 nan 8.230 nan 0.000 0.439 82 M N -0.525 119.036 119.600 -0.066 0.000 2.216 82 M HA 0.031 4.511 4.480 0.001 0.000 0.264 82 M C 0.830 177.083 176.300 -0.079 0.000 1.080 82 M CA 0.498 55.764 55.300 -0.057 0.000 1.153 82 M CB 0.082 32.657 32.600 -0.041 0.000 1.356 82 M HN -0.003 nan 8.290 nan 0.000 0.432 83 I N 2.283 122.760 120.570 -0.155 0.000 2.826 83 I HA -0.100 4.071 4.170 0.001 0.000 0.295 83 I C -0.006 176.048 176.117 -0.105 0.000 1.213 83 I CA 0.965 62.143 61.300 -0.202 0.000 1.436 83 I CB -0.539 37.188 38.000 -0.455 0.000 1.348 83 I HN 0.392 nan 8.210 nan 0.000 0.570 84 Q N 3.946 123.715 119.800 -0.050 0.000 2.337 84 Q HA 0.185 4.526 4.340 0.001 0.000 0.270 84 Q C -0.118 175.882 176.000 0.001 0.000 1.043 84 Q CA -0.700 55.089 55.803 -0.023 0.000 0.794 84 Q CB 2.403 31.136 28.738 -0.008 0.000 1.281 84 Q HN 0.544 nan 8.270 nan 0.000 0.446 85 E N 1.556 121.753 120.200 -0.004 0.000 2.351 85 E HA -0.032 4.319 4.350 0.001 0.000 0.241 85 E C 0.230 176.841 176.600 0.019 0.000 1.243 85 E CA 1.004 57.410 56.400 0.010 0.000 0.963 85 E CB -0.455 29.244 29.700 -0.001 0.000 1.042 85 E HN 0.925 nan 8.360 nan 0.000 0.468 86 G N 3.029 111.851 108.800 0.038 0.000 3.259 86 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 86 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 86 G C 0.136 175.068 174.900 0.052 0.000 0.993 86 G CA -0.015 45.109 45.100 0.039 0.000 0.836 86 G HN 0.662 nan 8.290 nan 0.000 0.514 87 S N 1.079 116.817 115.700 0.063 0.000 2.579 87 S HA 0.621 5.091 4.470 0.001 0.000 0.275 87 S C 0.697 175.357 174.600 0.101 0.000 1.345 87 S CA 0.701 58.949 58.200 0.079 0.000 1.031 87 S CB 1.542 64.801 63.200 0.098 0.000 0.892 87 S HN 1.626 nan 8.310 nan 0.000 0.529 88 S N 0.643 116.393 115.700 0.082 0.000 2.730 88 S HA 0.791 5.262 4.470 0.001 0.000 0.284 88 S C -0.245 174.383 174.600 0.047 0.000 1.153 88 S CA -0.594 57.643 58.200 0.061 0.000 0.995 88 S CB 0.749 63.965 63.200 0.028 0.000 1.058 88 S HN 1.566 nan 8.310 nan 0.000 0.552 89 V N -1.470 118.426 119.914 -0.029 0.000 2.733 89 V HA 0.614 4.734 4.120 0.001 0.000 0.306 89 V C -0.874 175.137 176.094 -0.139 0.000 1.084 89 V CA -1.023 61.183 62.300 -0.158 0.000 0.905 89 V CB 1.163 32.797 31.823 -0.316 0.000 1.010 89 V HN 0.931 nan 8.190 nan 0.000 0.424 90 K N 2.217 122.529 120.400 -0.148 0.000 2.110 90 K HA 0.806 5.126 4.320 0.001 0.000 0.263 90 K C -0.028 176.496 176.600 -0.127 0.000 0.975 90 K CA -0.378 55.845 56.287 -0.106 0.000 0.895 90 K CB 2.095 34.551 32.500 -0.073 0.000 1.060 90 K HN 1.023 nan 8.250 nan 0.000 0.448 91 A N 2.052 124.815 122.820 -0.095 0.000 2.506 91 A HA 0.079 4.400 4.320 0.001 0.000 0.320 91 A C 1.237 178.782 177.584 -0.064 0.000 1.424 91 A CA -0.446 51.539 52.037 -0.087 0.000 1.044 91 A CB -0.461 18.496 19.000 -0.072 0.000 1.140 91 A HN 0.910 nan 8.150 nan 0.000 0.538 92 T N -0.088 114.427 114.554 -0.065 0.000 2.882 92 T HA -0.084 4.266 4.350 0.001 0.000 0.268 92 T C 1.723 176.403 174.700 -0.033 0.000 1.104 92 T CA 1.748 63.821 62.100 -0.045 0.000 1.118 92 T CB -0.594 68.251 68.868 -0.039 0.000 0.831 92 T HN 2.221 nan 8.240 nan 0.000 0.529 93 G N 1.213 109.992 108.800 -0.035 0.000 2.189 93 G HA2 -0.323 3.638 3.960 0.001 0.000 0.267 93 G HA3 -0.323 3.638 3.960 0.001 0.000 0.267 93 G C 0.219 175.107 174.900 -0.020 0.000 0.975 93 G CA 0.419 45.503 45.100 -0.026 0.000 0.644 93 G HN 0.783 nan 8.290 nan 0.000 0.537 94 R N -0.321 120.168 120.500 -0.019 0.000 2.460 94 R HA 0.605 4.945 4.340 0.001 0.000 0.303 94 R C 0.353 176.646 176.300 -0.011 0.000 0.968 94 R CA -0.845 55.249 56.100 -0.011 0.000 0.889 94 R CB 1.740 32.036 30.300 -0.006 0.000 1.123 94 R HN 0.244 nan 8.270 nan 0.000 0.455 95 I N 2.758 123.325 120.570 -0.006 0.000 2.212 95 I HA 0.163 4.333 4.170 0.001 0.000 0.285 95 I C -0.208 175.908 176.117 -0.002 0.000 1.116 95 I CA 0.229 61.525 61.300 -0.007 0.000 1.644 95 I CB -0.280 37.718 38.000 -0.004 0.000 1.485 95 I HN 0.929 nan 8.210 nan 0.000 0.728 96 A N 4.661 127.479 122.820 -0.003 0.000 2.136 96 A HA -0.222 4.099 4.320 0.001 0.000 0.274 96 A C 0.153 177.747 177.584 0.017 0.000 1.388 96 A CA 0.838 52.878 52.037 0.004 0.000 0.741 96 A CB -1.581 17.417 19.000 -0.004 0.000 1.173 96 A HN 0.802 nan 8.150 nan 0.000 0.329 97 Q N -1.172 118.639 119.800 0.020 0.000 2.212 97 Q HA 0.765 5.105 4.340 0.001 0.000 0.238 97 Q C -0.535 175.486 176.000 0.036 0.000 0.955 97 Q CA -0.678 55.142 55.803 0.029 0.000 0.906 97 Q CB 1.291 30.044 28.738 0.026 0.000 1.215 97 Q HN 0.678 nan 8.270 nan 0.000 0.478 98 I N 1.592 122.189 120.570 0.046 0.000 2.582 98 I HA 0.332 4.502 4.170 0.001 0.000 0.292 98 I C -2.500 173.655 176.117 0.064 0.000 1.066 98 I CA -2.390 58.941 61.300 0.053 0.000 1.053 98 I CB 2.117 40.146 38.000 0.048 0.000 1.241 98 I HN 0.368 nan 8.210 nan 0.000 0.421 99 P HA 0.381 nan 4.420 nan 0.000 0.274 99 P C -1.348 176.048 177.300 0.161 0.000 1.231 99 P CA -0.232 62.931 63.100 0.104 0.000 0.790 99 P CB 1.026 32.797 31.700 0.118 0.000 0.951 100 V N 1.216 121.190 119.914 0.100 0.000 3.178 100 V HA 0.766 4.886 4.120 0.001 0.000 0.302 100 V C -0.529 175.436 176.094 -0.214 0.000 1.262 100 V CA 0.444 62.775 62.300 0.053 0.000 1.030 100 V CB 2.076 33.854 31.823 -0.075 0.000 1.074 100 V HN 0.957 nan 8.190 nan 0.000 0.438 101 S N 3.376 118.758 115.700 -0.529 0.000 3.351 101 S HA 0.313 4.784 4.470 0.001 0.000 0.288 101 S C -0.151 174.132 174.600 -0.529 0.000 1.231 101 S CA 0.139 57.898 58.200 -0.735 0.000 1.548 101 S CB 0.786 63.803 63.200 -0.305 0.000 1.469 101 S HN 0.625 nan 8.310 nan 0.000 0.357 102 E N 0.470 120.590 120.200 -0.133 0.000 2.465 102 E HA 0.368 4.718 4.350 0.001 0.000 0.209 102 E C 1.868 178.493 176.600 0.042 0.000 0.951 102 E CA 0.708 57.178 56.400 0.117 0.000 0.997 102 E CB 0.521 30.326 29.700 0.175 0.000 1.025 102 E HN 0.688 nan 8.360 nan 0.000 0.500 103 A N 0.643 123.373 122.820 -0.151 0.000 2.194 103 A HA -0.190 4.130 4.320 0.001 0.000 0.220 103 A C 1.448 178.883 177.584 -0.249 0.000 1.162 103 A CA 1.191 53.085 52.037 -0.238 0.000 0.674 103 A CB -0.565 18.210 19.000 -0.374 0.000 0.789 103 A HN 0.201 nan 8.150 nan 0.000 0.470 104 Y N -1.038 119.279 120.300 0.029 0.000 2.342 104 Y HA 0.273 4.823 4.550 0.000 0.000 0.259 104 Y C 1.081 177.019 175.900 0.064 0.000 1.049 104 Y CA 0.174 58.301 58.100 0.046 0.000 1.059 104 Y CB -0.716 37.778 38.460 0.057 0.000 1.026 104 Y HN 0.005 nan 8.280 nan 0.000 0.473 105 L N 1.644 123.046 121.223 0.298 0.000 4.155 105 L HA -0.301 4.039 4.340 0.001 0.000 0.485 105 L C 0.578 177.514 176.870 0.109 0.000 1.058 105 L CA 1.162 56.110 54.840 0.179 0.000 0.630 105 L CB -1.891 40.279 42.059 0.185 0.000 1.297 105 L HN 0.838 nan 8.230 nan 0.000 0.736 106 G N -0.045 108.806 108.800 0.086 0.000 2.240 106 G HA2 -0.098 3.863 3.960 0.001 0.000 0.181 106 G HA3 -0.098 3.863 3.960 0.001 0.000 0.181 106 G C -0.172 174.758 174.900 0.051 0.000 1.028 106 G CA -0.848 44.278 45.100 0.043 0.000 0.760 106 G HN 0.231 nan 8.290 nan 0.000 0.508 107 R N 0.833 121.384 120.500 0.085 0.000 2.435 107 R HA 0.491 4.831 4.340 0.001 0.000 0.308 107 R C 0.002 176.346 176.300 0.074 0.000 0.975 107 R CA -0.686 55.467 56.100 0.087 0.000 0.867 107 R CB 1.757 32.141 30.300 0.139 0.000 1.171 107 R HN 0.122 nan 8.270 nan 0.000 0.470 108 V N 5.573 125.511 119.914 0.039 0.000 2.409 108 V HA 0.056 4.177 4.120 0.001 0.000 0.270 108 V C 1.229 177.353 176.094 0.049 0.000 1.019 108 V CA 0.248 62.566 62.300 0.030 0.000 1.066 108 V CB -0.084 31.744 31.823 0.009 0.000 1.021 108 V HN 0.585 nan 8.190 nan 0.000 0.476 109 I N 4.584 125.186 120.570 0.053 0.000 2.612 109 I HA 0.312 4.483 4.170 0.001 0.000 0.295 109 I C 1.065 177.206 176.117 0.040 0.000 1.011 109 I CA -0.248 61.086 61.300 0.058 0.000 1.326 109 I CB 1.427 39.444 38.000 0.028 0.000 1.427 109 I HN 0.620 nan 8.210 nan 0.000 0.537 110 N N 3.687 122.414 118.700 0.046 0.000 2.199 110 N HA 0.225 4.965 4.740 0.001 0.000 0.254 110 N C 0.396 175.927 175.510 0.035 0.000 1.299 110 N CA 1.125 54.199 53.050 0.040 0.000 0.940 110 N CB 0.132 38.645 38.487 0.044 0.000 1.051 110 N HN 0.703 nan 8.380 nan 0.000 0.426 111 A N -1.002 121.841 122.820 0.039 0.000 2.340 111 A HA 0.350 4.671 4.320 0.001 0.000 0.213 111 A C 0.549 178.158 177.584 0.043 0.000 1.299 111 A CA -0.101 51.961 52.037 0.042 0.000 0.994 111 A CB 0.196 19.225 19.000 0.048 0.000 1.132 111 A HN 0.373 nan 8.150 nan 0.000 0.519 112 L N -0.380 120.869 121.223 0.043 0.000 3.154 112 L HA 0.485 4.826 4.340 0.001 0.000 0.266 112 L C 0.884 177.785 176.870 0.052 0.000 1.300 112 L CA 0.117 54.983 54.840 0.044 0.000 1.028 112 L CB 0.098 42.182 42.059 0.042 0.000 1.412 112 L HN 0.383 nan 8.230 nan 0.000 0.564 113 A N 0.595 123.445 122.820 0.050 0.000 2.560 113 A HA -0.227 4.093 4.320 0.001 0.000 0.299 113 A C 0.154 177.808 177.584 0.117 0.000 1.484 113 A CA 1.217 53.300 52.037 0.077 0.000 0.749 113 A CB -1.693 17.360 19.000 0.088 0.000 1.072 113 A HN 0.612 nan 8.150 nan 0.000 0.426 114 K N 0.530 120.983 120.400 0.089 0.000 2.378 114 K HA 0.585 4.905 4.320 0.001 0.000 0.252 114 K C -2.792 173.854 176.600 0.076 0.000 0.931 114 K CA -2.240 54.095 56.287 0.081 0.000 0.794 114 K CB 2.505 35.039 32.500 0.056 0.000 1.181 114 K HN 0.229 nan 8.250 nan 0.000 0.425 115 P HA -0.008 nan 4.420 nan 0.000 0.266 115 P C 0.002 177.329 177.300 0.046 0.000 1.195 115 P CA 0.243 63.381 63.100 0.064 0.000 0.768 115 P CB 0.372 32.102 31.700 0.051 0.000 0.838 116 I N -1.276 119.319 120.570 0.042 0.000 3.621 116 I HA 0.270 4.440 4.170 0.001 0.000 0.325 116 I C -0.120 176.012 176.117 0.025 0.000 1.554 116 I CA -0.337 60.981 61.300 0.031 0.000 1.053 116 I CB 0.147 38.166 38.000 0.032 0.000 1.302 116 I HN 0.049 nan 8.210 nan 0.000 0.518 117 D N 0.215 120.630 120.400 0.025 0.000 2.498 117 D HA 0.218 4.858 4.640 0.001 0.000 0.223 117 D C 1.357 177.666 176.300 0.015 0.000 1.125 117 D CA 0.460 54.471 54.000 0.018 0.000 0.835 117 D CB 0.362 41.173 40.800 0.018 0.000 1.086 117 D HN 0.331 nan 8.370 nan 0.000 0.510 118 G N 1.114 109.924 108.800 0.017 0.000 2.401 118 G HA2 -0.280 3.681 3.960 0.001 0.000 0.283 118 G HA3 -0.280 3.681 3.960 0.001 0.000 0.283 118 G C 0.376 175.284 174.900 0.012 0.000 1.117 118 G CA -0.104 45.004 45.100 0.014 0.000 1.051 118 G HN 0.345 nan 8.290 nan 0.000 0.510 119 R N -0.419 120.089 120.500 0.013 0.000 2.590 119 R HA 0.467 4.807 4.340 0.001 0.000 0.410 119 R C 1.126 177.429 176.300 0.006 0.000 1.010 119 R CA 0.341 56.447 56.100 0.010 0.000 1.155 119 R CB 0.949 31.256 30.300 0.012 0.000 1.455 119 R HN 1.771 nan 8.270 nan 0.000 0.567 120 G N 1.368 110.172 108.800 0.006 0.000 2.549 120 G HA2 -0.196 3.765 3.960 0.001 0.000 0.404 120 G HA3 -0.196 3.765 3.960 0.001 0.000 0.404 120 G C -0.758 174.141 174.900 -0.001 0.000 1.292 120 G CA -0.854 44.246 45.100 0.001 0.000 0.935 120 G HN 0.150 nan 8.290 nan 0.000 0.512 121 E N -0.466 119.729 120.200 -0.009 0.000 2.385 121 E HA 0.548 4.898 4.350 0.001 0.000 0.254 121 E C 0.420 176.993 176.600 -0.046 0.000 1.228 121 E CA -0.388 56.002 56.400 -0.015 0.000 0.956 121 E CB 0.994 30.685 29.700 -0.015 0.000 1.116 121 E HN 0.707 nan 8.360 nan 0.000 0.507 122 I N -1.165 119.360 120.570 -0.076 0.000 2.406 122 I HA 0.246 4.416 4.170 0.001 0.000 0.290 122 I C -0.305 175.698 176.117 -0.190 0.000 0.999 122 I CA -0.677 60.512 61.300 -0.184 0.000 1.124 122 I CB 0.970 38.771 38.000 -0.331 0.000 1.289 122 I HN 0.197 nan 8.210 nan 0.000 0.441 123 T N 6.277 120.718 114.554 -0.187 0.000 3.416 123 T HA 0.332 4.683 4.350 0.001 0.000 0.247 123 T C 0.720 175.320 174.700 -0.167 0.000 0.973 123 T CA -0.030 61.987 62.100 -0.139 0.000 1.166 123 T CB -0.721 68.085 68.868 -0.104 0.000 1.040 123 T HN 0.748 nan 8.240 nan 0.000 0.746 124 A N 2.537 125.277 122.820 -0.134 0.000 2.276 124 A HA 0.533 4.853 4.320 0.001 0.000 0.300 124 A C 1.364 178.919 177.584 -0.048 0.000 1.235 124 A CA -0.674 51.302 52.037 -0.101 0.000 0.867 124 A CB 0.445 19.415 19.000 -0.051 0.000 1.137 124 A HN 0.722 nan 8.150 nan 0.000 0.527 125 S N 2.288 117.968 115.700 -0.034 0.000 2.452 125 S HA 0.107 4.577 4.470 0.001 0.000 0.225 125 S C 0.618 175.228 174.600 0.017 0.000 1.057 125 S CA 0.413 58.611 58.200 -0.003 0.000 0.949 125 S CB -0.246 62.960 63.200 0.010 0.000 0.836 125 S HN 0.755 nan 8.310 nan 0.000 0.518 126 E N 0.734 120.953 120.200 0.032 0.000 2.601 126 E HA 0.726 5.076 4.350 0.001 0.000 0.250 126 E C -1.124 175.504 176.600 0.046 0.000 1.099 126 E CA -0.936 55.495 56.400 0.052 0.000 0.968 126 E CB 1.358 31.116 29.700 0.096 0.000 1.290 126 E HN 0.207 nan 8.360 nan 0.000 0.505 127 S N 0.387 116.122 115.700 0.058 0.000 2.392 127 S HA 0.174 4.644 4.470 0.001 0.000 0.246 127 S C -0.890 173.747 174.600 0.062 0.000 0.999 127 S CA -0.783 57.450 58.200 0.056 0.000 1.059 127 S CB 0.865 64.090 63.200 0.042 0.000 1.194 127 S HN 0.535 nan 8.310 nan 0.000 0.421 128 R N 3.053 123.599 120.500 0.077 0.000 2.549 128 R HA 0.698 5.038 4.340 0.001 0.000 0.267 128 R C -0.615 175.728 176.300 0.071 0.000 1.045 128 R CA -0.747 55.403 56.100 0.082 0.000 1.115 128 R CB 0.459 30.831 30.300 0.120 0.000 1.121 128 R HN 0.507 nan 8.270 nan 0.000 0.543 129 L N 2.709 123.973 121.223 0.068 0.000 2.453 129 L HA 0.144 4.484 4.340 0.001 0.000 0.261 129 L C 1.572 178.492 176.870 0.083 0.000 1.179 129 L CA -0.332 54.546 54.840 0.063 0.000 0.813 129 L CB 0.520 42.612 42.059 0.054 0.000 1.110 129 L HN 0.758 nan 8.230 nan 0.000 0.466 130 I N 0.179 120.797 120.570 0.080 0.000 2.206 130 I HA -0.106 4.064 4.170 0.001 0.000 0.239 130 I C 0.691 176.898 176.117 0.149 0.000 1.078 130 I CA 1.087 62.454 61.300 0.112 0.000 1.367 130 I CB 0.204 38.255 38.000 0.085 0.000 1.078 130 I HN 0.644 nan 8.210 nan 0.000 0.413 131 E N 1.161 121.425 120.200 0.106 0.000 2.081 131 E HA 0.215 4.565 4.350 0.001 0.000 0.281 131 E C -0.862 175.796 176.600 0.097 0.000 0.986 131 E CA -0.214 56.262 56.400 0.126 0.000 0.796 131 E CB 0.857 30.591 29.700 0.058 0.000 1.085 131 E HN 0.231 nan 8.360 nan 0.000 0.398 132 S N 3.145 118.909 115.700 0.108 0.000 2.595 132 S HA 0.693 5.163 4.470 0.001 0.000 0.281 132 S C -2.655 171.996 174.600 0.084 0.000 1.117 132 S CA -1.662 56.588 58.200 0.085 0.000 0.873 132 S CB 1.537 64.791 63.200 0.090 0.000 1.108 132 S HN 0.230 nan 8.310 nan 0.000 0.477 133 P HA 0.381 nan 4.420 nan 0.000 0.271 133 P C -0.610 176.738 177.300 0.081 0.000 1.218 133 P CA -0.150 62.988 63.100 0.064 0.000 0.780 133 P CB 0.490 32.217 31.700 0.046 0.000 0.901 134 A N 3.894 126.758 122.820 0.073 0.000 2.293 134 A HA 0.561 4.881 4.320 0.001 0.000 0.302 134 A C -2.138 175.496 177.584 0.083 0.000 1.119 134 A CA -1.678 50.408 52.037 0.082 0.000 0.823 134 A CB -1.013 18.015 19.000 0.048 0.000 1.097 134 A HN 0.402 nan 8.150 nan 0.000 0.491 135 P HA 0.118 nan 4.420 nan 0.000 0.260 135 P C 0.798 178.136 177.300 0.064 0.000 1.172 135 P CA 0.962 64.124 63.100 0.103 0.000 0.760 135 P CB 0.579 32.350 31.700 0.117 0.000 0.773 136 G N 2.182 111.015 108.800 0.054 0.000 2.529 136 G HA2 0.010 3.970 3.960 0.001 0.000 0.234 136 G HA3 0.010 3.970 3.960 0.001 0.000 0.234 136 G C 0.818 175.739 174.900 0.035 0.000 1.527 136 G CA -0.353 44.771 45.100 0.040 0.000 1.062 136 G HN 0.554 nan 8.290 nan 0.000 0.558 137 I N -0.885 119.703 120.570 0.031 0.000 3.708 137 I HA 0.181 4.352 4.170 0.001 0.000 0.302 137 I C 2.429 178.563 176.117 0.029 0.000 1.255 137 I CA 0.256 61.573 61.300 0.028 0.000 1.362 137 I CB 0.202 38.217 38.000 0.025 0.000 1.100 137 I HN 0.383 nan 8.210 nan 0.000 0.434 138 M N 0.089 119.707 119.600 0.029 0.000 2.193 138 M HA -0.053 4.427 4.480 0.001 0.000 0.265 138 M C 1.766 178.086 176.300 0.034 0.000 1.071 138 M CA 1.280 56.597 55.300 0.028 0.000 1.140 138 M CB -0.272 32.342 32.600 0.024 0.000 1.369 138 M HN 0.223 nan 8.290 nan 0.000 0.423 139 S N 0.967 116.692 115.700 0.041 0.000 3.009 139 S HA 0.217 4.687 4.470 0.001 0.000 0.243 139 S C 0.266 174.899 174.600 0.055 0.000 1.012 139 S CA -0.251 57.980 58.200 0.053 0.000 1.113 139 S CB -0.540 62.702 63.200 0.071 0.000 0.827 139 S HN 0.307 nan 8.310 nan 0.000 0.495 140 R N 0.092 120.618 120.500 0.044 0.000 2.774 140 R HA 0.637 4.977 4.340 0.001 0.000 0.272 140 R C -0.799 175.529 176.300 0.045 0.000 1.000 140 R CA -0.867 55.258 56.100 0.041 0.000 0.906 140 R CB 1.688 32.008 30.300 0.034 0.000 1.227 140 R HN 0.218 nan 8.270 nan 0.000 0.468 141 R N 0.169 120.701 120.500 0.053 0.000 2.698 141 R HA 0.356 4.697 4.340 0.001 0.000 0.275 141 R C -0.635 175.736 176.300 0.119 0.000 1.001 141 R CA -0.753 55.400 56.100 0.088 0.000 0.896 141 R CB 2.500 32.850 30.300 0.083 0.000 1.218 141 R HN 0.574 nan 8.270 nan 0.000 0.462 142 S N 0.601 116.404 115.700 0.172 0.000 2.563 142 S HA 0.019 4.490 4.470 0.001 0.000 0.269 142 S C 0.230 174.906 174.600 0.126 0.000 1.364 142 S CA -0.360 57.895 58.200 0.092 0.000 1.010 142 S CB 0.477 63.669 63.200 -0.013 0.000 0.877 142 S HN 0.258 nan 8.310 nan 0.000 0.549 143 V N 2.659 122.534 119.914 -0.065 0.000 2.406 143 V HA 0.211 4.332 4.120 0.001 0.000 0.272 143 V C -0.455 175.572 176.094 -0.113 0.000 1.043 143 V CA 0.116 62.403 62.300 -0.021 0.000 0.915 143 V CB 0.105 31.889 31.823 -0.066 0.000 0.988 143 V HN 0.914 nan 8.190 nan 0.000 0.466 144 Y N 1.062 121.341 120.300 -0.034 0.000 2.441 144 Y HA 0.293 4.843 4.550 0.000 0.000 0.266 144 Y C 1.061 176.947 175.900 -0.023 0.000 1.093 144 Y CA -0.811 57.276 58.100 -0.022 0.000 1.246 144 Y CB 0.318 38.771 38.460 -0.012 0.000 1.262 144 Y HN 0.505 nan 8.280 nan 0.000 0.518 145 E N 3.470 123.750 120.200 0.134 0.000 2.217 145 E HA 0.137 4.488 4.350 0.001 0.000 0.279 145 E C -2.396 174.217 176.600 0.021 0.000 1.068 145 E CA -1.840 54.595 56.400 0.057 0.000 0.882 145 E CB 0.500 30.198 29.700 -0.003 0.000 1.039 145 E HN 0.058 nan 8.360 nan 0.000 0.418 146 P HA 0.082 nan 4.420 nan 0.000 0.274 146 P C -0.673 176.627 177.300 0.001 0.000 1.264 146 P CA -0.216 62.891 63.100 0.012 0.000 0.795 146 P CB 0.626 32.339 31.700 0.022 0.000 1.064 147 L N 0.377 121.597 121.223 -0.004 0.000 2.595 147 L HA 0.166 4.506 4.340 0.001 0.000 0.259 147 L C -0.853 176.013 176.870 -0.007 0.000 1.033 147 L CA -0.589 54.245 54.840 -0.009 0.000 0.901 147 L CB 1.113 43.157 42.059 -0.024 0.000 1.151 147 L HN 0.270 nan 8.230 nan 0.000 0.453 148 Q N 1.596 121.394 119.800 -0.003 0.000 2.304 148 Q HA 0.209 4.549 4.340 0.001 0.000 0.260 148 Q C 0.949 176.946 176.000 -0.005 0.000 0.965 148 Q CA 0.114 55.916 55.803 -0.001 0.000 0.898 148 Q CB 1.390 30.128 28.738 0.001 0.000 1.196 148 Q HN 0.692 nan 8.270 nan 0.000 0.402 149 T N -2.478 112.075 114.554 -0.003 0.000 3.003 149 T HA 0.306 4.656 4.350 0.001 0.000 0.261 149 T C 1.075 175.773 174.700 -0.005 0.000 1.003 149 T CA 0.309 62.408 62.100 -0.003 0.000 0.917 149 T CB 0.286 69.153 68.868 -0.002 0.000 1.084 149 T HN 0.799 nan 8.240 nan 0.000 0.522 150 G N 1.752 110.551 108.800 -0.003 0.000 2.148 150 G HA2 -0.188 3.773 3.960 0.001 0.000 0.254 150 G HA3 -0.188 3.773 3.960 0.001 0.000 0.254 150 G C -0.120 174.780 174.900 0.000 0.000 0.981 150 G CA 0.247 45.345 45.100 -0.004 0.000 0.670 150 G HN 0.648 nan 8.290 nan 0.000 0.528 151 L N 0.485 121.710 121.223 0.004 0.000 2.318 151 L HA 0.483 4.823 4.340 0.001 0.000 0.277 151 L C 1.788 178.665 176.870 0.012 0.000 1.008 151 L CA -1.029 53.816 54.840 0.008 0.000 0.846 151 L CB 1.156 43.221 42.059 0.009 0.000 1.220 151 L HN 0.022 nan 8.230 nan 0.000 0.423 152 I N 2.009 122.587 120.570 0.014 0.000 2.399 152 I HA -0.313 3.858 4.170 0.001 0.000 0.254 152 I C 2.407 178.534 176.117 0.017 0.000 1.146 152 I CA 1.680 62.990 61.300 0.017 0.000 1.412 152 I CB 0.160 38.171 38.000 0.018 0.000 1.076 152 I HN 0.825 nan 8.210 nan 0.000 0.432 153 A N -0.213 122.618 122.820 0.018 0.000 2.123 153 A HA 0.004 4.324 4.320 0.001 0.000 0.214 153 A C 1.930 179.523 177.584 0.016 0.000 1.152 153 A CA 0.958 53.007 52.037 0.021 0.000 0.728 153 A CB -0.191 18.825 19.000 0.027 0.000 0.814 153 A HN 0.290 nan 8.150 nan 0.000 0.464 154 I N -0.131 120.446 120.570 0.011 0.000 2.681 154 I HA 0.002 4.172 4.170 0.001 0.000 0.247 154 I C 0.699 176.816 176.117 0.000 0.000 1.091 154 I CA 0.827 62.129 61.300 0.004 0.000 1.442 154 I CB -0.311 37.689 38.000 0.000 0.000 1.219 154 I HN 0.105 nan 8.210 nan 0.000 0.451 155 D N 0.964 121.366 120.400 0.003 0.000 2.348 155 D HA 0.126 4.767 4.640 0.001 0.000 0.248 155 D C 1.356 177.659 176.300 0.006 0.000 1.142 155 D CA 0.731 54.733 54.000 0.004 0.000 0.904 155 D CB 0.371 41.176 40.800 0.008 0.000 0.901 155 D HN 0.383 nan 8.370 nan 0.000 0.523 156 A N -0.852 121.971 122.820 0.005 0.000 2.263 156 A HA 0.262 4.582 4.320 0.001 0.000 0.200 156 A C 1.618 179.202 177.584 -0.000 0.000 1.428 156 A CA -0.095 51.945 52.037 0.005 0.000 1.050 156 A CB 0.540 19.545 19.000 0.008 0.000 1.226 156 A HN 0.084 nan 8.150 nan 0.000 0.501 157 M N -1.322 118.279 119.600 0.001 0.000 2.188 157 M HA 0.386 4.867 4.480 0.001 0.000 0.310 157 M C -0.851 175.447 176.300 -0.005 0.000 0.993 157 M CA 0.568 55.867 55.300 -0.002 0.000 1.127 157 M CB 1.227 33.830 32.600 0.006 0.000 1.927 157 M HN 0.159 nan 8.290 nan 0.000 0.655 158 I N 2.671 123.237 120.570 -0.006 0.000 2.697 158 I HA 0.235 4.405 4.170 0.001 0.000 0.279 158 I C -2.321 173.784 176.117 -0.020 0.000 1.171 158 I CA -1.968 59.324 61.300 -0.014 0.000 1.135 158 I CB 0.671 38.663 38.000 -0.014 0.000 1.445 158 I HN -0.153 nan 8.210 nan 0.000 0.541 159 P HA 0.111 nan 4.420 nan 0.000 0.274 159 P C -0.318 176.962 177.300 -0.034 0.000 1.291 159 P CA 0.063 63.148 63.100 -0.025 0.000 0.815 159 P CB 0.935 32.620 31.700 -0.026 0.000 0.897 160 V N 4.734 124.628 119.914 -0.033 0.000 2.364 160 V HA 0.502 4.622 4.120 0.001 0.000 0.272 160 V C 1.162 177.232 176.094 -0.039 0.000 1.036 160 V CA -0.116 62.159 62.300 -0.041 0.000 0.880 160 V CB 1.208 33.006 31.823 -0.042 0.000 0.991 160 V HN 0.642 nan 8.190 nan 0.000 0.460 161 G N 4.285 113.056 108.800 -0.047 0.000 2.461 161 G HA2 0.512 4.472 3.960 0.001 0.000 0.329 161 G HA3 0.512 4.472 3.960 0.001 0.000 0.329 161 G C -0.316 174.547 174.900 -0.062 0.000 1.170 161 G CA -0.994 44.079 45.100 -0.045 0.000 0.935 161 G HN 0.652 nan 8.290 nan 0.000 0.492 162 R N -0.034 120.419 120.500 -0.078 0.000 2.484 162 R HA 0.362 4.702 4.340 0.001 0.000 0.293 162 R C 1.260 177.477 176.300 -0.137 0.000 1.023 162 R CA 1.055 57.075 56.100 -0.134 0.000 1.037 162 R CB 0.602 30.758 30.300 -0.240 0.000 0.951 162 R HN 1.106 nan 8.270 nan 0.000 0.418 163 G N 1.560 110.286 108.800 -0.123 0.000 2.254 163 G HA2 -0.316 3.644 3.960 0.001 0.000 0.225 163 G HA3 -0.316 3.644 3.960 0.001 0.000 0.225 163 G C 0.202 175.058 174.900 -0.072 0.000 1.003 163 G CA 0.148 45.189 45.100 -0.098 0.000 0.622 163 G HN 0.622 nan 8.290 nan 0.000 0.507 164 Q N 0.812 120.569 119.800 -0.072 0.000 2.340 164 Q HA 0.569 4.909 4.340 0.001 0.000 0.249 164 Q C -0.151 175.809 176.000 -0.067 0.000 0.957 164 Q CA -0.380 55.384 55.803 -0.065 0.000 0.882 164 Q CB 0.391 29.090 28.738 -0.065 0.000 1.235 164 Q HN 0.387 nan 8.270 nan 0.000 0.439 165 R N 2.576 123.037 120.500 -0.064 0.000 2.229 165 R HA 0.297 4.637 4.340 0.001 0.000 0.328 165 R C -1.153 175.101 176.300 -0.076 0.000 1.009 165 R CA -0.437 55.623 56.100 -0.067 0.000 0.864 165 R CB 1.252 31.515 30.300 -0.061 0.000 1.085 165 R HN 0.497 nan 8.270 nan 0.000 0.453 166 E N 2.745 122.896 120.200 -0.083 0.000 2.218 166 E HA 0.293 4.644 4.350 0.001 0.000 0.263 166 E C -1.558 174.978 176.600 -0.107 0.000 0.879 166 E CA -0.924 55.420 56.400 -0.093 0.000 0.762 166 E CB 1.006 30.656 29.700 -0.083 0.000 1.166 166 E HN 0.359 nan 8.360 nan 0.000 0.415 167 L N 5.040 126.182 121.223 -0.135 0.000 2.375 167 L HA 0.552 4.892 4.340 0.001 0.000 0.271 167 L C -0.900 175.867 176.870 -0.172 0.000 1.107 167 L CA -0.106 54.641 54.840 -0.156 0.000 0.806 167 L CB 0.763 42.706 42.059 -0.192 0.000 1.146 167 L HN 0.694 nan 8.230 nan 0.000 0.447 168 I N 6.340 126.829 120.570 -0.136 0.000 2.390 168 I HA 0.347 4.518 4.170 0.001 0.000 0.283 168 I C -0.545 175.514 176.117 -0.096 0.000 1.016 168 I CA -0.237 60.999 61.300 -0.108 0.000 1.151 168 I CB 0.891 38.860 38.000 -0.052 0.000 1.293 168 I HN 0.514 nan 8.210 nan 0.000 0.458 169 I N 4.944 125.436 120.570 -0.131 0.000 2.460 169 I HA 0.807 4.977 4.170 0.001 0.000 0.298 169 I C 0.429 176.584 176.117 0.064 0.000 0.989 169 I CA -0.449 60.822 61.300 -0.048 0.000 1.173 169 I CB 2.054 39.993 38.000 -0.102 0.000 1.338 169 I HN 0.666 nan 8.210 nan 0.000 0.456 170 G N 3.936 112.794 108.800 0.097 0.000 2.402 170 G HA2 0.123 4.083 3.960 0.001 0.000 0.301 170 G HA3 0.123 4.083 3.960 0.001 0.000 0.301 170 G C -1.337 173.632 174.900 0.116 0.000 1.615 170 G CA -0.708 44.466 45.100 0.124 0.000 0.889 170 G HN 0.462 nan 8.290 nan 0.000 0.647 171 D N 0.032 120.502 120.400 0.117 0.000 2.169 171 D HA 0.141 4.782 4.640 0.001 0.000 0.253 171 D C 1.206 177.583 176.300 0.127 0.000 1.257 171 D CA 0.114 54.179 54.000 0.109 0.000 0.976 171 D CB 0.338 41.194 40.800 0.093 0.000 1.195 171 D HN 0.648 nan 8.370 nan 0.000 0.534 172 R N 0.249 120.820 120.500 0.119 0.000 2.594 172 R HA 0.073 4.413 4.340 0.001 0.000 0.272 172 R C -0.206 176.180 176.300 0.143 0.000 1.074 172 R CA -0.388 55.777 56.100 0.109 0.000 1.105 172 R CB 0.250 30.602 30.300 0.088 0.000 1.008 172 R HN 0.177 nan 8.270 nan 0.000 0.472 173 Q N 0.452 120.312 119.800 0.100 0.000 2.447 173 Q HA -0.137 4.203 4.340 0.001 0.000 0.348 173 Q C -0.629 175.436 176.000 0.109 0.000 1.421 173 Q CA 1.403 57.240 55.803 0.056 0.000 0.978 173 Q CB -1.677 27.078 28.738 0.029 0.000 1.191 173 Q HN 0.902 nan 8.270 nan 0.000 0.371 174 T N -1.894 112.767 114.554 0.178 0.000 3.296 174 T HA 0.373 4.723 4.350 0.001 0.000 0.285 174 T C 1.115 175.941 174.700 0.210 0.000 1.014 174 T CA 0.238 62.590 62.100 0.420 0.000 0.920 174 T CB 0.771 69.874 68.868 0.392 0.000 1.143 174 T HN 0.655 nan 8.240 nan 0.000 0.522 175 G N 2.520 111.328 108.800 0.014 0.000 2.212 175 G HA2 -0.390 3.570 3.960 0.001 0.000 0.267 175 G HA3 -0.390 3.570 3.960 0.001 0.000 0.267 175 G C 0.988 175.922 174.900 0.057 0.000 1.002 175 G CA 1.307 46.410 45.100 0.005 0.000 0.729 175 G HN 0.554 nan 8.290 nan 0.000 0.517 176 K N -0.889 119.558 120.400 0.077 0.000 1.973 176 K HA -0.006 4.314 4.320 0.001 0.000 0.210 176 K C 2.590 179.230 176.600 0.067 0.000 1.045 176 K CA 1.625 57.953 56.287 0.069 0.000 0.937 176 K CB -0.656 31.886 32.500 0.069 0.000 0.721 176 K HN 0.183 nan 8.250 nan 0.000 0.438 177 T N 0.761 115.361 114.554 0.076 0.000 2.721 177 T HA -0.221 4.129 4.350 0.001 0.000 0.268 177 T C 1.874 176.637 174.700 0.105 0.000 1.038 177 T CA 1.522 63.686 62.100 0.107 0.000 1.145 177 T CB -0.351 68.584 68.868 0.111 0.000 0.858 177 T HN 0.409 nan 8.240 nan 0.000 0.459 178 A N 0.423 123.285 122.820 0.070 0.000 1.902 178 A HA -0.049 4.271 4.320 0.001 0.000 0.217 178 A C 2.522 180.138 177.584 0.054 0.000 1.181 178 A CA 1.540 53.610 52.037 0.056 0.000 0.623 178 A CB -0.911 18.103 19.000 0.023 0.000 0.818 178 A HN 0.405 nan 8.150 nan 0.000 0.443 179 V N -0.206 119.739 119.914 0.052 0.000 2.392 179 V HA -0.295 3.825 4.120 0.001 0.000 0.249 179 V C 2.984 179.110 176.094 0.053 0.000 1.059 179 V CA 2.091 64.416 62.300 0.042 0.000 1.051 179 V CB -1.157 30.687 31.823 0.036 0.000 0.658 179 V HN 0.636 nan 8.190 nan 0.000 0.455 180 A N -0.830 122.040 122.820 0.084 0.000 1.898 180 A HA -0.154 4.166 4.320 0.001 0.000 0.214 180 A C 2.392 180.084 177.584 0.180 0.000 1.183 180 A CA 2.061 54.173 52.037 0.125 0.000 0.622 180 A CB -0.902 18.193 19.000 0.159 0.000 0.824 180 A HN 0.458 nan 8.150 nan 0.000 0.444 181 T N 0.506 115.180 114.554 0.201 0.000 2.684 181 T HA -0.166 4.185 4.350 0.001 0.000 0.267 181 T C 1.492 176.176 174.700 -0.027 0.000 1.036 181 T CA 2.046 64.299 62.100 0.254 0.000 1.148 181 T CB -0.508 68.490 68.868 0.216 0.000 0.863 181 T HN 0.555 nan 8.240 nan 0.000 0.436 182 D N 0.427 120.815 120.400 -0.021 0.000 2.084 182 D HA -0.059 4.582 4.640 0.001 0.000 0.194 182 D C 2.385 178.652 176.300 -0.056 0.000 0.990 182 D CA 1.306 55.266 54.000 -0.067 0.000 0.826 182 D CB -0.553 40.230 40.800 -0.029 0.000 0.971 182 D HN 0.272 nan 8.370 nan 0.000 0.453 183 T N 0.739 115.291 114.554 -0.003 0.000 2.580 183 T HA -0.180 4.170 4.350 0.001 0.000 0.265 183 T C 2.096 176.812 174.700 0.026 0.000 1.063 183 T CA 0.979 63.086 62.100 0.012 0.000 1.170 183 T CB -0.516 68.368 68.868 0.027 0.000 0.863 183 T HN 0.139 nan 8.240 nan 0.000 0.418 184 I N 0.707 121.320 120.570 0.071 0.000 2.248 184 I HA -0.206 3.964 4.170 0.001 0.000 0.248 184 I C 2.343 178.497 176.117 0.062 0.000 1.107 184 I CA 1.234 62.613 61.300 0.132 0.000 1.373 184 I CB -0.515 37.655 38.000 0.283 0.000 1.055 184 I HN 0.214 nan 8.210 nan 0.000 0.418 185 L N 0.413 121.539 121.223 -0.162 0.000 1.989 185 L HA -0.256 4.085 4.340 0.001 0.000 0.211 185 L C 1.938 178.789 176.870 -0.032 0.000 1.071 185 L CA 1.605 56.323 54.840 -0.203 0.000 0.749 185 L CB -0.716 41.155 42.059 -0.312 0.000 0.890 185 L HN 0.273 nan 8.230 nan 0.000 0.431 186 N N 0.398 119.076 118.700 -0.037 0.000 2.601 186 N HA -0.103 4.638 4.740 0.001 0.000 0.201 186 N C -0.143 175.356 175.510 -0.018 0.000 1.355 186 N CA 0.328 53.364 53.050 -0.023 0.000 0.880 186 N CB -0.067 38.406 38.487 -0.022 0.000 1.071 186 N HN 0.335 nan 8.380 nan 0.000 0.454 187 Q N 0.703 120.500 119.800 -0.005 0.000 2.398 187 Q HA 0.179 4.520 4.340 0.001 0.000 0.251 187 Q C -0.501 175.381 176.000 -0.198 0.000 0.999 187 Q CA -0.730 55.016 55.803 -0.095 0.000 0.874 187 Q CB 0.929 29.598 28.738 -0.116 0.000 1.215 187 Q HN 0.254 nan 8.270 nan 0.000 0.470 188 Q N 1.028 120.745 119.800 -0.139 0.000 2.304 188 Q HA 0.015 4.355 4.340 0.001 0.000 0.301 188 Q C 0.554 176.426 176.000 -0.212 0.000 1.063 188 Q CA 0.284 56.008 55.803 -0.132 0.000 0.947 188 Q CB 0.275 28.963 28.738 -0.084 0.000 1.201 188 Q HN 0.780 nan 8.270 nan 0.000 0.389 189 G N 1.325 110.015 108.800 -0.183 0.000 2.568 189 G HA2 -0.096 3.864 3.960 0.001 0.000 0.231 189 G HA3 -0.096 3.864 3.960 0.001 0.000 0.231 189 G C 0.450 175.250 174.900 -0.168 0.000 1.261 189 G CA 0.423 45.404 45.100 -0.200 0.000 0.855 189 G HN 0.887 nan 8.290 nan 0.000 0.576 190 Q N -0.511 119.192 119.800 -0.162 0.000 2.284 190 Q HA -0.293 4.048 4.340 0.001 0.000 0.205 190 Q C 1.434 177.355 176.000 -0.132 0.000 0.682 190 Q CA 1.508 57.243 55.803 -0.114 0.000 1.401 190 Q CB -0.812 27.882 28.738 -0.073 0.000 1.643 190 Q HN 0.694 nan 8.270 nan 0.000 0.717 191 N N -0.743 117.855 118.700 -0.171 0.000 2.258 191 N HA 0.071 4.811 4.740 0.001 0.000 0.183 191 N C -0.072 175.366 175.510 -0.120 0.000 1.029 191 N CA 1.645 54.615 53.050 -0.134 0.000 0.857 191 N CB 0.593 39.004 38.487 -0.126 0.000 1.008 191 N HN 0.076 nan 8.380 nan 0.000 0.433 192 V N 1.412 121.224 119.914 -0.170 0.000 2.777 192 V HA 0.364 4.485 4.120 0.001 0.000 0.306 192 V C -0.799 175.208 176.094 -0.144 0.000 1.112 192 V CA -0.827 61.409 62.300 -0.105 0.000 0.917 192 V CB 2.254 34.046 31.823 -0.052 0.000 1.018 192 V HN -0.076 nan 8.190 nan 0.000 0.426 193 I N 3.285 123.773 120.570 -0.137 0.000 2.472 193 I HA 0.474 4.644 4.170 0.001 0.000 0.290 193 I C 0.118 176.201 176.117 -0.057 0.000 1.016 193 I CA 0.469 61.664 61.300 -0.176 0.000 1.348 193 I CB 1.127 38.759 38.000 -0.613 0.000 1.417 193 I HN 0.614 nan 8.210 nan 0.000 0.521 194 C N 5.064 124.405 119.300 0.069 0.000 2.507 194 C HA 0.747 5.207 4.460 0.001 0.000 0.319 194 C C -0.314 174.700 174.990 0.039 0.000 1.208 194 C CA -0.722 58.343 59.018 0.078 0.000 1.619 194 C CB 1.713 29.572 27.740 0.199 0.000 2.230 194 C HN 0.466 nan 8.230 nan 0.000 0.492 195 V N 2.704 122.628 119.914 0.016 0.000 2.540 195 V HA 0.345 4.465 4.120 0.001 0.000 0.302 195 V C -1.229 174.871 176.094 0.011 0.000 1.035 195 V CA -0.561 61.746 62.300 0.012 0.000 0.873 195 V CB 1.634 33.451 31.823 -0.011 0.000 0.992 195 V HN 0.787 nan 8.190 nan 0.000 0.428 196 Y N 5.147 125.398 120.300 -0.082 0.000 2.491 196 Y HA 0.624 5.175 4.550 0.000 0.000 0.334 196 Y C -0.418 175.440 175.900 -0.070 0.000 0.969 196 Y CA -0.575 57.462 58.100 -0.104 0.000 1.241 196 Y CB 1.335 39.684 38.460 -0.185 0.000 1.105 196 Y HN 0.388 nan 8.280 nan 0.000 0.503 197 V N 6.158 125.786 119.914 -0.477 0.000 2.350 197 V HA 0.660 4.780 4.120 0.001 0.000 0.276 197 V C 0.044 175.886 176.094 -0.420 0.000 1.028 197 V CA -0.621 61.507 62.300 -0.287 0.000 0.860 197 V CB 0.869 32.672 31.823 -0.033 0.000 0.990 197 V HN 0.882 nan 8.190 nan 0.000 0.453 198 A N 6.456 129.111 122.820 -0.274 0.000 2.276 198 A HA 0.845 5.165 4.320 0.001 0.000 0.316 198 A C -0.710 176.849 177.584 -0.041 0.000 1.229 198 A CA -0.353 51.592 52.037 -0.152 0.000 0.851 198 A CB 0.269 19.267 19.000 -0.002 0.000 1.165 198 A HN 0.711 nan 8.150 nan 0.000 0.513 199 I N 2.380 122.939 120.570 -0.019 0.000 2.405 199 I HA 0.520 4.691 4.170 0.001 0.000 0.280 199 I C 1.080 177.220 176.117 0.037 0.000 1.027 199 I CA 0.658 61.969 61.300 0.019 0.000 1.161 199 I CB 1.455 39.468 38.000 0.021 0.000 1.300 199 I HN 1.032 nan 8.210 nan 0.000 0.463 200 G N 3.550 112.377 108.800 0.045 0.000 2.143 200 G HA2 -0.263 3.698 3.960 0.001 0.000 0.248 200 G HA3 -0.263 3.698 3.960 0.001 0.000 0.248 200 G C 0.296 175.224 174.900 0.046 0.000 0.991 200 G CA -0.122 45.008 45.100 0.050 0.000 0.689 200 G HN 0.554 nan 8.290 nan 0.000 0.522 201 Q N -0.376 119.451 119.800 0.044 0.000 2.318 201 Q HA 0.545 4.886 4.340 0.001 0.000 0.222 201 Q C 0.561 176.588 176.000 0.044 0.000 1.003 201 Q CA -0.467 55.365 55.803 0.049 0.000 0.936 201 Q CB 0.571 29.346 28.738 0.062 0.000 1.204 201 Q HN 0.323 nan 8.270 nan 0.000 0.524 202 K N -0.042 120.382 120.400 0.041 0.000 2.185 202 K HA 0.231 4.551 4.320 0.001 0.000 0.271 202 K C 0.472 177.090 176.600 0.030 0.000 1.013 202 K CA 0.116 56.423 56.287 0.033 0.000 0.943 202 K CB 1.100 33.617 32.500 0.028 0.000 0.998 202 K HN 0.742 nan 8.250 nan 0.000 0.468 203 A N 2.113 124.948 122.820 0.025 0.000 1.848 203 A HA -0.266 4.054 4.320 0.001 0.000 0.217 203 A C 2.105 179.697 177.584 0.013 0.000 1.220 203 A CA 2.551 54.600 52.037 0.020 0.000 0.645 203 A CB -1.373 17.637 19.000 0.016 0.000 0.842 203 A HN 0.951 nan 8.150 nan 0.000 0.451 204 S N 0.667 116.373 115.700 0.011 0.000 2.414 204 S HA -0.337 4.133 4.470 0.001 0.000 0.238 204 S C 2.178 176.779 174.600 0.002 0.000 1.055 204 S CA 3.432 61.635 58.200 0.005 0.000 1.174 204 S CB -1.550 61.654 63.200 0.007 0.000 1.087 204 S HN 1.477 nan 8.310 nan 0.000 0.428 205 S N 1.490 117.195 115.700 0.009 0.000 2.407 205 S HA -0.113 4.357 4.470 0.001 0.000 0.235 205 S C 1.855 176.455 174.600 -0.000 0.000 1.036 205 S CA 1.431 59.637 58.200 0.009 0.000 1.013 205 S CB -1.284 61.931 63.200 0.024 0.000 0.820 205 S HN 0.498 nan 8.310 nan 0.000 0.476 206 V N 2.274 122.193 119.914 0.009 0.000 2.358 206 V HA -0.058 4.062 4.120 0.001 0.000 0.246 206 V C 3.114 179.169 176.094 -0.064 0.000 1.047 206 V CA 1.527 63.825 62.300 -0.003 0.000 1.035 206 V CB -1.462 30.385 31.823 0.040 0.000 0.658 206 V HN 0.684 nan 8.190 nan 0.000 0.452 207 A N -0.699 122.097 122.820 -0.039 0.000 1.898 207 A HA -0.271 4.049 4.320 0.001 0.000 0.216 207 A C 2.149 179.700 177.584 -0.054 0.000 1.181 207 A CA 1.736 53.745 52.037 -0.047 0.000 0.620 207 A CB -0.511 18.476 19.000 -0.022 0.000 0.819 207 A HN 0.599 nan 8.150 nan 0.000 0.442 208 Q N -0.577 119.200 119.800 -0.039 0.000 2.248 208 Q HA -0.139 4.201 4.340 0.001 0.000 0.208 208 Q C 2.013 177.987 176.000 -0.043 0.000 0.984 208 Q CA 1.621 57.407 55.803 -0.028 0.000 0.875 208 Q CB -0.322 28.407 28.738 -0.015 0.000 0.910 208 Q HN 0.537 nan 8.270 nan 0.000 0.433 209 V N -0.700 119.150 119.914 -0.107 0.000 2.374 209 V HA -0.140 3.980 4.120 0.001 0.000 0.241 209 V C 1.990 177.910 176.094 -0.289 0.000 1.034 209 V CA 0.923 63.097 62.300 -0.209 0.000 1.037 209 V CB -0.152 31.411 31.823 -0.434 0.000 0.682 209 V HN 0.109 nan 8.190 nan 0.000 0.463 210 V N 0.651 120.370 119.914 -0.325 0.000 2.944 210 V HA -0.254 3.867 4.120 0.001 0.000 0.265 210 V C 2.275 178.313 176.094 -0.093 0.000 1.125 210 V CA 2.412 64.553 62.300 -0.265 0.000 1.145 210 V CB -0.950 30.770 31.823 -0.173 0.000 0.725 210 V HN 0.658 nan 8.190 nan 0.000 0.510 211 T N -0.802 113.727 114.554 -0.042 0.000 2.898 211 T HA -0.009 4.342 4.350 0.001 0.000 0.241 211 T C 1.553 176.287 174.700 0.057 0.000 1.024 211 T CA 0.498 62.600 62.100 0.004 0.000 1.174 211 T CB -0.291 68.575 68.868 -0.003 0.000 0.873 211 T HN 0.342 nan 8.240 nan 0.000 0.422 212 N N 0.936 119.685 118.700 0.083 0.000 2.724 212 N HA -0.004 4.736 4.740 0.001 0.000 0.198 212 N C 0.212 175.825 175.510 0.172 0.000 1.301 212 N CA 0.596 53.710 53.050 0.106 0.000 0.942 212 N CB -0.246 38.303 38.487 0.104 0.000 1.033 212 N HN 0.309 nan 8.380 nan 0.000 0.447 213 F N -0.090 119.795 119.950 -0.110 0.000 2.740 213 F HA 0.211 4.739 4.527 0.001 0.000 0.304 213 F C 2.086 177.815 175.800 -0.118 0.000 1.098 213 F CA -0.132 57.788 58.000 -0.134 0.000 1.258 213 F CB 0.339 39.223 39.000 -0.193 0.000 1.061 213 F HN -0.028 nan 8.300 nan 0.000 0.598 214 Q N 0.204 120.053 119.800 0.082 0.000 2.089 214 Q HA -0.080 4.260 4.340 0.001 0.000 0.195 214 Q C 1.443 177.445 176.000 0.004 0.000 0.963 214 Q CA 1.057 56.873 55.803 0.023 0.000 0.834 214 Q CB -0.317 28.430 28.738 0.015 0.000 0.906 214 Q HN 0.395 nan 8.270 nan 0.000 0.452 215 E N 0.834 121.036 120.200 0.004 0.000 2.448 215 E HA -0.153 4.197 4.350 0.001 0.000 0.203 215 E C 0.730 177.318 176.600 -0.020 0.000 1.046 215 E CA 0.618 57.014 56.400 -0.006 0.000 0.871 215 E CB 0.075 29.772 29.700 -0.005 0.000 0.790 215 E HN 0.165 nan 8.360 nan 0.000 0.545 216 R N -1.149 119.331 120.500 -0.034 0.000 2.629 216 R HA 0.148 4.489 4.340 0.001 0.000 0.408 216 R C 0.769 177.052 176.300 -0.027 0.000 1.057 216 R CA 0.296 56.368 56.100 -0.046 0.000 1.119 216 R CB 1.088 31.334 30.300 -0.091 0.000 1.403 216 R HN 0.142 nan 8.270 nan 0.000 0.576 217 G N 0.951 109.744 108.800 -0.011 0.000 2.200 217 G HA2 -0.411 3.549 3.960 0.001 0.000 0.267 217 G HA3 -0.411 3.549 3.960 0.001 0.000 0.267 217 G C 0.935 175.848 174.900 0.022 0.000 0.993 217 G CA 0.712 45.820 45.100 0.014 0.000 0.701 217 G HN 0.483 nan 8.290 nan 0.000 0.524 218 A N -0.768 122.016 122.820 -0.060 0.000 2.167 218 A HA 0.467 4.788 4.320 0.001 0.000 0.214 218 A C 1.917 179.157 177.584 -0.574 0.000 1.151 218 A CA 1.593 53.479 52.037 -0.253 0.000 0.735 218 A CB -0.112 18.718 19.000 -0.283 0.000 0.802 218 A HN 0.798 nan 8.150 nan 0.000 0.467 219 M N -0.141 119.332 119.600 -0.212 0.000 2.581 219 M HA 0.095 4.576 4.480 0.001 0.000 0.224 219 M C 0.450 176.678 176.300 -0.119 0.000 1.171 219 M CA 0.426 55.630 55.300 -0.161 0.000 0.993 219 M CB -0.136 32.440 32.600 -0.039 0.000 1.685 219 M HN 0.396 nan 8.290 nan 0.000 0.479 220 E N -0.390 119.749 120.200 -0.101 0.000 2.474 220 E HA -0.033 4.317 4.350 0.001 0.000 0.195 220 E C -0.294 176.391 176.600 0.142 0.000 1.039 220 E CA 0.285 56.715 56.400 0.050 0.000 0.881 220 E CB 0.452 30.221 29.700 0.115 0.000 0.970 220 E HN 0.778 nan 8.360 nan 0.000 0.486 221 Y N -2.455 117.864 120.300 0.032 0.000 2.809 221 Y HA 0.435 4.986 4.550 0.001 0.000 0.251 221 Y C -0.319 175.576 175.900 -0.008 0.000 1.136 221 Y CA -0.748 57.353 58.100 0.002 0.000 1.185 221 Y CB 0.116 38.562 38.460 -0.023 0.000 1.260 221 Y HN -0.317 nan 8.280 nan 0.000 0.576 222 T N 2.026 116.516 114.554 -0.107 0.000 2.916 222 T HA 0.598 4.949 4.350 0.001 0.000 0.298 222 T C -0.882 173.814 174.700 -0.007 0.000 1.031 222 T CA -0.376 61.691 62.100 -0.055 0.000 0.993 222 T CB 2.037 70.828 68.868 -0.128 0.000 1.045 222 T HN 0.067 nan 8.240 nan 0.000 0.454 223 I N 1.895 122.481 120.570 0.027 0.000 2.577 223 I HA 0.464 4.635 4.170 0.001 0.000 0.305 223 I C -0.085 176.053 176.117 0.035 0.000 0.986 223 I CA -0.711 60.608 61.300 0.032 0.000 1.189 223 I CB 1.748 39.752 38.000 0.006 0.000 1.355 223 I HN 0.329 nan 8.210 nan 0.000 0.476 224 V N 5.904 125.838 119.914 0.034 0.000 2.225 224 V HA 0.197 4.317 4.120 0.001 0.000 0.264 224 V C -0.263 175.863 176.094 0.052 0.000 1.067 224 V CA -0.638 61.709 62.300 0.077 0.000 0.903 224 V CB 0.815 32.657 31.823 0.031 0.000 1.136 224 V HN 0.417 nan 8.190 nan 0.000 0.456 225 V N 3.958 123.887 119.914 0.024 0.000 2.341 225 V HA 0.570 4.690 4.120 0.001 0.000 0.248 225 V C 0.736 176.836 176.094 0.011 0.000 1.107 225 V CA 0.330 62.632 62.300 0.004 0.000 1.069 225 V CB 0.234 32.052 31.823 -0.010 0.000 1.177 225 V HN 0.799 nan 8.190 nan 0.000 0.492 226 A N 4.707 127.544 122.820 0.028 0.000 2.435 226 A HA 0.876 5.196 4.320 0.001 0.000 0.304 226 A C -0.559 177.046 177.584 0.034 0.000 1.064 226 A CA -0.764 51.291 52.037 0.030 0.000 0.727 226 A CB 1.596 20.633 19.000 0.060 0.000 1.284 226 A HN 0.701 nan 8.150 nan 0.000 0.415 227 E N 1.335 121.556 120.200 0.034 0.000 2.279 227 E HA 0.400 4.750 4.350 0.001 0.000 0.252 227 E C -0.434 176.191 176.600 0.040 0.000 0.894 227 E CA -0.477 55.947 56.400 0.040 0.000 0.785 227 E CB 1.712 31.440 29.700 0.046 0.000 1.237 227 E HN 0.714 nan 8.360 nan 0.000 0.418 228 T N 0.694 115.271 114.554 0.038 0.000 2.663 228 T HA 0.010 4.360 4.350 0.001 0.000 0.325 228 T C 1.583 176.306 174.700 0.039 0.000 1.059 228 T CA 0.201 62.323 62.100 0.037 0.000 1.039 228 T CB 0.618 69.505 68.868 0.032 0.000 0.996 228 T HN 0.563 nan 8.240 nan 0.000 0.539 229 A N 0.554 123.396 122.820 0.037 0.000 1.877 229 A HA -0.127 4.194 4.320 0.001 0.000 0.216 229 A C 2.007 179.612 177.584 0.034 0.000 1.186 229 A CA 2.010 54.070 52.037 0.038 0.000 0.620 229 A CB -1.005 18.017 19.000 0.035 0.000 0.822 229 A HN 0.854 nan 8.150 nan 0.000 0.443 230 D N 0.542 120.959 120.400 0.029 0.000 2.149 230 D HA -0.059 4.581 4.640 0.001 0.000 0.198 230 D C 1.404 177.720 176.300 0.026 0.000 0.990 230 D CA 1.243 55.258 54.000 0.024 0.000 0.839 230 D CB -0.361 40.451 40.800 0.020 0.000 0.948 230 D HN 0.534 nan 8.370 nan 0.000 0.460 231 S N 1.425 117.142 115.700 0.030 0.000 2.573 231 S HA 0.020 4.490 4.470 0.001 0.000 0.297 231 S C -2.303 172.318 174.600 0.034 0.000 1.280 231 S CA -1.179 57.039 58.200 0.032 0.000 1.061 231 S CB 0.434 63.657 63.200 0.037 0.000 0.812 231 S HN 0.013 nan 8.310 nan 0.000 0.500 232 P HA 0.126 nan 4.420 nan 0.000 0.265 232 P C 0.879 178.203 177.300 0.040 0.000 1.193 232 P CA 0.131 63.247 63.100 0.028 0.000 0.765 232 P CB 0.623 32.334 31.700 0.019 0.000 0.823 233 A N 3.834 126.682 122.820 0.045 0.000 1.997 233 A HA -0.174 4.147 4.320 0.001 0.000 0.221 233 A C 1.640 179.267 177.584 0.072 0.000 1.172 233 A CA 2.061 54.139 52.037 0.068 0.000 0.645 233 A CB -1.836 17.206 19.000 0.070 0.000 0.813 233 A HN 0.609 nan 8.150 nan 0.000 0.454 234 T N -0.256 114.320 114.554 0.037 0.000 3.650 234 T HA 0.281 4.631 4.350 0.001 0.000 0.254 234 T C 0.889 175.611 174.700 0.035 0.000 1.130 234 T CA 0.932 63.038 62.100 0.010 0.000 0.984 234 T CB -0.409 68.453 68.868 -0.009 0.000 1.039 234 T HN 0.417 nan 8.240 nan 0.000 0.586 235 L N -1.175 120.094 121.223 0.077 0.000 2.658 235 L HA 0.188 4.528 4.340 0.001 0.000 0.222 235 L C 2.269 179.213 176.870 0.122 0.000 1.033 235 L CA -0.084 54.808 54.840 0.086 0.000 0.949 235 L CB -0.094 42.003 42.059 0.063 0.000 1.698 235 L HN -0.018 nan 8.230 nan 0.000 0.498 236 Q N -0.239 119.633 119.800 0.120 0.000 2.449 236 Q HA -0.246 4.094 4.340 0.001 0.000 0.214 236 Q C 1.585 177.681 176.000 0.160 0.000 0.986 236 Q CA 1.796 57.671 55.803 0.120 0.000 0.893 236 Q CB -0.116 28.689 28.738 0.113 0.000 0.940 236 Q HN 0.431 nan 8.270 nan 0.000 0.477 237 Y N 0.681 121.010 120.300 0.047 0.000 2.114 237 Y HA -0.140 4.410 4.550 0.001 0.000 0.284 237 Y C 1.792 177.770 175.900 0.131 0.000 1.119 237 Y CA 1.311 59.436 58.100 0.042 0.000 1.108 237 Y CB -0.049 38.369 38.460 -0.070 0.000 0.995 237 Y HN -0.001 nan 8.280 nan 0.000 0.491 238 L N -0.201 121.190 121.223 0.279 0.000 2.456 238 L HA -0.121 4.219 4.340 0.001 0.000 0.224 238 L C 2.531 179.528 176.870 0.212 0.000 1.148 238 L CA 0.584 55.574 54.840 0.251 0.000 0.825 238 L CB -1.126 41.008 42.059 0.124 0.000 0.937 238 L HN 0.275 nan 8.230 nan 0.000 0.450 239 A N 1.692 124.596 122.820 0.140 0.000 1.869 239 A HA -0.177 4.143 4.320 0.001 0.000 0.218 239 A C 0.220 177.838 177.584 0.057 0.000 1.203 239 A CA 2.190 54.273 52.037 0.077 0.000 0.638 239 A CB -1.800 17.229 19.000 0.049 0.000 0.831 239 A HN 0.326 nan 8.150 nan 0.000 0.450 240 P HA -0.149 nan 4.420 nan 0.000 0.214 240 P C 1.100 178.323 177.300 -0.127 0.000 1.162 240 P CA 1.419 64.430 63.100 -0.148 0.000 0.874 240 P CB -0.408 30.922 31.700 -0.617 0.000 0.784 241 Y N 0.797 121.030 120.300 -0.110 0.000 2.096 241 Y HA -0.239 4.311 4.550 0.001 0.000 0.278 241 Y C 2.790 178.694 175.900 0.006 0.000 1.192 241 Y CA 2.259 60.329 58.100 -0.050 0.000 1.143 241 Y CB -2.191 36.249 38.460 -0.033 0.000 0.963 241 Y HN -0.011 nan 8.280 nan 0.000 0.505 242 T N -0.661 113.987 114.554 0.156 0.000 2.614 242 T HA -0.189 4.161 4.350 0.001 0.000 0.263 242 T C 2.283 177.019 174.700 0.059 0.000 1.055 242 T CA 1.695 63.847 62.100 0.086 0.000 1.162 242 T CB -1.199 67.701 68.868 0.054 0.000 0.863 242 T HN 0.589 nan 8.240 nan 0.000 0.414 243 G N 0.810 109.646 108.800 0.059 0.000 2.581 243 G HA2 -0.126 3.834 3.960 0.001 0.000 0.223 243 G HA3 -0.126 3.834 3.960 0.001 0.000 0.223 243 G C 1.546 176.505 174.900 0.099 0.000 1.094 243 G CA 1.206 46.344 45.100 0.064 0.000 0.736 243 G HN 0.625 nan 8.290 nan 0.000 0.588 244 A N 0.370 123.256 122.820 0.110 0.000 1.924 244 A HA 0.615 4.935 4.320 0.001 0.000 0.211 244 A C 2.727 180.369 177.584 0.097 0.000 1.198 244 A CA 1.470 53.573 52.037 0.110 0.000 0.657 244 A CB -0.535 18.499 19.000 0.057 0.000 0.852 244 A HN 0.652 nan 8.150 nan 0.000 0.454 245 A N 0.164 123.042 122.820 0.095 0.000 1.877 245 A HA -0.058 4.262 4.320 0.001 0.000 0.216 245 A C 2.082 179.734 177.584 0.112 0.000 1.186 245 A CA 1.475 53.578 52.037 0.110 0.000 0.620 245 A CB -0.733 18.327 19.000 0.100 0.000 0.822 245 A HN 0.436 nan 8.150 nan 0.000 0.443 246 L N -0.970 120.293 121.223 0.066 0.000 2.187 246 L HA -0.232 4.109 4.340 0.001 0.000 0.213 246 L C 2.887 179.892 176.870 0.225 0.000 1.100 246 L CA 1.008 55.871 54.840 0.039 0.000 0.765 246 L CB -0.285 41.721 42.059 -0.087 0.000 0.904 246 L HN 0.491 nan 8.230 nan 0.000 0.437 247 A N -0.757 122.203 122.820 0.232 0.000 1.943 247 A HA -0.083 4.238 4.320 0.001 0.000 0.213 247 A C 2.031 179.802 177.584 0.311 0.000 1.181 247 A CA 0.457 52.703 52.037 0.348 0.000 0.653 247 A CB -0.181 18.916 19.000 0.161 0.000 0.833 247 A HN 0.372 nan 8.150 nan 0.000 0.451 248 E N -1.106 119.196 120.200 0.169 0.000 2.331 248 E HA -0.223 4.127 4.350 0.001 0.000 0.199 248 E C 1.514 178.185 176.600 0.117 0.000 1.008 248 E CA 1.292 57.728 56.400 0.060 0.000 0.843 248 E CB -0.297 29.481 29.700 0.130 0.000 0.761 248 E HN 0.874 nan 8.360 nan 0.000 0.507 249 Y N -0.072 120.238 120.300 0.017 0.000 2.314 249 Y HA -0.133 4.417 4.550 0.001 0.000 0.293 249 Y C 1.437 177.228 175.900 -0.182 0.000 1.129 249 Y CA 1.133 59.175 58.100 -0.097 0.000 1.201 249 Y CB -0.189 38.117 38.460 -0.257 0.000 0.999 249 Y HN -0.102 nan 8.280 nan 0.000 0.541 250 F N -0.576 119.433 119.950 0.099 0.000 2.335 250 F HA -0.052 4.475 4.527 0.001 0.000 0.296 250 F C 2.452 178.203 175.800 -0.082 0.000 1.091 250 F CA 0.903 58.889 58.000 -0.024 0.000 1.399 250 F CB -0.452 38.623 39.000 0.125 0.000 1.067 250 F HN 0.057 nan 8.300 nan 0.000 0.520 251 M N -1.019 118.605 119.600 0.040 0.000 2.064 251 M HA -0.234 4.247 4.480 0.001 0.000 0.260 251 M C 1.840 178.045 176.300 -0.158 0.000 1.073 251 M CA 1.947 57.174 55.300 -0.121 0.000 1.124 251 M CB -0.729 31.636 32.600 -0.393 0.000 1.326 251 M HN 0.151 nan 8.290 nan 0.000 0.410 252 Y N -0.418 119.885 120.300 0.005 0.000 2.716 252 Y HA -0.095 4.455 4.550 0.001 0.000 0.302 252 Y C 1.283 177.140 175.900 -0.072 0.000 1.160 252 Y CA 0.276 58.358 58.100 -0.029 0.000 1.362 252 Y CB -0.263 38.174 38.460 -0.038 0.000 0.988 252 Y HN 0.161 nan 8.280 nan 0.000 0.546 253 R N 0.315 120.814 120.500 -0.001 0.000 2.700 253 R HA 0.080 4.420 4.340 0.001 0.000 0.377 253 R C -0.007 176.285 176.300 -0.014 0.000 1.130 253 R CA 0.092 56.158 56.100 -0.058 0.000 1.055 253 R CB 0.006 30.181 30.300 -0.209 0.000 1.387 253 R HN 0.478 nan 8.270 nan 0.000 0.580 254 E N -0.042 120.171 120.200 0.021 0.000 3.680 254 E HA -0.267 4.083 4.350 0.001 0.000 0.309 254 E C -0.102 176.484 176.600 -0.023 0.000 0.793 254 E CA 1.082 57.494 56.400 0.020 0.000 1.083 254 E CB -0.650 29.047 29.700 -0.005 0.000 1.548 254 E HN 0.361 nan 8.360 nan 0.000 0.456 255 R N 0.195 120.700 120.500 0.009 0.000 2.577 255 R HA 0.448 4.789 4.340 0.001 0.000 0.269 255 R C 0.087 176.447 176.300 0.100 0.000 1.084 255 R CA -0.125 55.962 56.100 -0.022 0.000 1.163 255 R CB 0.568 30.947 30.300 0.130 0.000 1.100 255 R HN 0.203 nan 8.270 nan 0.000 0.547 256 H N -0.479 118.589 119.070 -0.003 0.000 2.492 256 H HA 0.345 4.901 4.556 0.000 0.000 0.345 256 H C -0.449 174.847 175.328 -0.053 0.000 1.136 256 H CA -0.857 55.175 56.048 -0.026 0.000 1.202 256 H CB 2.087 31.829 29.762 -0.034 0.000 1.524 256 H HN 0.474 nan 8.280 nan 0.000 0.506 257 T N 1.950 116.551 114.554 0.077 0.000 2.916 257 T HA 0.479 4.830 4.350 0.001 0.000 0.292 257 T C -1.067 173.620 174.700 -0.021 0.000 1.064 257 T CA -0.886 61.215 62.100 0.002 0.000 1.011 257 T CB 1.932 70.814 68.868 0.022 0.000 1.152 257 T HN 0.249 nan 8.240 nan 0.000 0.510 258 L N 1.461 122.662 121.223 -0.037 0.000 2.439 258 L HA 0.718 5.058 4.340 0.001 0.000 0.270 258 L C -2.052 174.756 176.870 -0.103 0.000 0.972 258 L CA -0.631 54.173 54.840 -0.059 0.000 0.836 258 L CB 1.216 43.263 42.059 -0.019 0.000 1.255 258 L HN 0.570 nan 8.230 nan 0.000 0.404 259 I N 6.300 126.748 120.570 -0.203 0.000 2.406 259 I HA 0.485 4.656 4.170 0.001 0.000 0.290 259 I C -0.722 175.078 176.117 -0.530 0.000 0.999 259 I CA -0.372 60.703 61.300 -0.375 0.000 1.124 259 I CB 1.780 39.492 38.000 -0.479 0.000 1.289 259 I HN 0.308 nan 8.210 nan 0.000 0.441 260 I N 6.940 127.249 120.570 -0.435 0.000 2.355 260 I HA 0.252 4.422 4.170 0.001 0.000 0.288 260 I C -0.891 174.961 176.117 -0.443 0.000 0.999 260 I CA -0.750 60.328 61.300 -0.372 0.000 1.163 260 I CB 0.316 38.242 38.000 -0.124 0.000 1.316 260 I HN 0.468 nan 8.210 nan 0.000 0.454 261 Y N 3.299 123.491 120.300 -0.181 0.000 2.717 261 Y HA 0.291 4.841 4.550 0.001 0.000 0.329 261 Y C 0.179 175.964 175.900 -0.191 0.000 1.017 261 Y CA -1.090 56.886 58.100 -0.206 0.000 1.275 261 Y CB 0.210 38.575 38.460 -0.158 0.000 1.109 261 Y HN 0.513 nan 8.280 nan 0.000 0.511 262 D N 4.871 125.187 120.400 -0.141 0.000 2.419 262 D HA -0.048 4.593 4.640 0.001 0.000 0.281 262 D C -0.729 175.562 176.300 -0.016 0.000 1.398 262 D CA 1.257 55.203 54.000 -0.090 0.000 1.047 262 D CB -0.090 40.630 40.800 -0.134 0.000 1.115 262 D HN 0.411 nan 8.370 nan 0.000 0.540 263 D N 1.641 122.048 120.400 0.011 0.000 5.989 263 D HA -0.165 4.475 4.640 0.001 0.000 0.236 263 D C 0.313 176.630 176.300 0.028 0.000 1.693 263 D CA 0.319 54.333 54.000 0.025 0.000 1.470 263 D CB 0.007 40.831 40.800 0.039 0.000 0.653 263 D HN 0.387 nan 8.370 nan 0.000 0.358 264 L N 1.325 122.558 121.223 0.016 0.000 2.592 264 L HA -0.006 4.334 4.340 0.001 0.000 0.227 264 L C 2.231 179.177 176.870 0.125 0.000 1.127 264 L CA 0.119 54.992 54.840 0.055 0.000 0.884 264 L CB -0.028 41.997 42.059 -0.057 0.000 1.065 264 L HN 0.194 nan 8.230 nan 0.000 0.457 265 S N 0.291 116.045 115.700 0.091 0.000 2.348 265 S HA -0.092 4.379 4.470 0.001 0.000 0.219 265 S C 1.790 176.478 174.600 0.147 0.000 1.033 265 S CA 0.842 59.120 58.200 0.131 0.000 0.974 265 S CB -0.084 63.182 63.200 0.110 0.000 0.868 265 S HN 0.325 nan 8.310 nan 0.000 0.459 266 K N 1.259 121.725 120.400 0.111 0.000 2.442 266 K HA -0.045 4.275 4.320 0.001 0.000 0.198 266 K C 2.272 178.945 176.600 0.121 0.000 1.044 266 K CA 0.693 57.046 56.287 0.111 0.000 0.948 266 K CB -0.051 32.498 32.500 0.082 0.000 0.762 266 K HN 0.386 nan 8.250 nan 0.000 0.472 267 Q N 0.205 120.071 119.800 0.110 0.000 2.204 267 Q HA -0.001 4.339 4.340 0.001 0.000 0.198 267 Q C 2.014 178.100 176.000 0.144 0.000 0.946 267 Q CA 0.723 56.582 55.803 0.094 0.000 0.859 267 Q CB 0.093 28.831 28.738 -0.000 0.000 0.946 267 Q HN 0.296 nan 8.270 nan 0.000 0.474 268 A N 1.115 124.039 122.820 0.173 0.000 1.883 268 A HA -0.254 4.066 4.320 0.001 0.000 0.217 268 A C 1.971 179.796 177.584 0.401 0.000 1.186 268 A CA 1.645 53.836 52.037 0.257 0.000 0.624 268 A CB -0.592 18.549 19.000 0.236 0.000 0.822 268 A HN 0.499 nan 8.150 nan 0.000 0.444 269 Q N -0.736 119.268 119.800 0.341 0.000 2.061 269 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 269 Q C 2.364 178.502 176.000 0.230 0.000 0.984 269 Q CA 1.545 57.508 55.803 0.267 0.000 0.846 269 Q CB -0.423 28.424 28.738 0.182 0.000 0.902 269 Q HN 0.692 nan 8.270 nan 0.000 0.421 270 A N 0.070 123.032 122.820 0.237 0.000 2.070 270 A HA -0.196 4.124 4.320 0.001 0.000 0.220 270 A C 1.790 179.578 177.584 0.340 0.000 1.159 270 A CA 0.998 53.176 52.037 0.235 0.000 0.656 270 A CB -0.554 18.580 19.000 0.224 0.000 0.800 270 A HN 0.454 nan 8.150 nan 0.000 0.453 271 Y N 0.462 120.927 120.300 0.276 0.000 2.130 271 Y HA -0.122 4.428 4.550 0.001 0.000 0.287 271 Y C 2.375 178.396 175.900 0.201 0.000 1.124 271 Y CA 1.637 59.936 58.100 0.332 0.000 1.118 271 Y CB -0.922 37.785 38.460 0.412 0.000 0.994 271 Y HN 0.346 nan 8.280 nan 0.000 0.497 272 R N 0.361 120.950 120.500 0.149 0.000 2.119 272 R HA -0.305 4.035 4.340 0.001 0.000 0.246 272 R C 2.497 178.776 176.300 -0.035 0.000 1.146 272 R CA 2.295 58.370 56.100 -0.041 0.000 0.962 272 R CB -0.466 29.831 30.300 -0.005 0.000 0.863 272 R HN 0.588 nan 8.270 nan 0.000 0.442 273 Q N -0.249 119.575 119.800 0.040 0.000 2.170 273 Q HA -0.186 4.154 4.340 0.001 0.000 0.203 273 Q C 1.923 177.934 176.000 0.017 0.000 0.976 273 Q CA 1.853 57.671 55.803 0.024 0.000 0.858 273 Q CB 0.039 28.806 28.738 0.048 0.000 0.907 273 Q HN 0.461 nan 8.270 nan 0.000 0.433 274 M N -0.188 119.440 119.600 0.047 0.000 2.236 274 M HA -0.078 4.402 4.480 0.001 0.000 0.266 274 M C 2.402 178.698 176.300 -0.007 0.000 1.070 274 M CA 1.273 56.588 55.300 0.026 0.000 1.137 274 M CB 0.043 32.666 32.600 0.038 0.000 1.378 274 M HN 0.238 nan 8.290 nan 0.000 0.426 275 S N 1.375 117.043 115.700 -0.053 0.000 2.356 275 S HA -0.095 4.375 4.470 0.001 0.000 0.223 275 S C 1.844 176.408 174.600 -0.061 0.000 1.032 275 S CA 1.048 59.198 58.200 -0.083 0.000 1.005 275 S CB -1.056 62.012 63.200 -0.220 0.000 0.867 275 S HN 0.448 nan 8.310 nan 0.000 0.449 276 L N 0.796 121.979 121.223 -0.066 0.000 2.131 276 L HA 0.025 4.365 4.340 0.001 0.000 0.210 276 L C 2.437 179.288 176.870 -0.032 0.000 1.092 276 L CA 1.001 55.811 54.840 -0.050 0.000 0.759 276 L CB -0.657 41.370 42.059 -0.055 0.000 0.903 276 L HN 0.303 nan 8.230 nan 0.000 0.435 277 L N -0.696 120.512 121.223 -0.025 0.000 2.395 277 L HA -0.078 4.262 4.340 0.001 0.000 0.218 277 L C 1.936 178.798 176.870 -0.014 0.000 1.130 277 L CA 0.535 55.365 54.840 -0.017 0.000 0.826 277 L CB -0.079 41.973 42.059 -0.012 0.000 0.941 277 L HN 0.301 nan 8.230 nan 0.000 0.451 278 L N -0.767 120.447 121.223 -0.015 0.000 2.607 278 L HA 0.161 4.501 4.340 0.001 0.000 0.228 278 L C 0.467 177.330 176.870 -0.011 0.000 1.123 278 L CA -0.035 54.800 54.840 -0.009 0.000 0.890 278 L CB 0.080 42.136 42.059 -0.005 0.000 1.103 278 L HN 0.193 nan 8.230 nan 0.000 0.468 279 R N 0.795 121.285 120.500 -0.018 0.000 3.322 279 R HA -0.132 4.208 4.340 0.001 0.000 0.266 279 R C -0.336 175.953 176.300 -0.019 0.000 1.072 279 R CA 0.352 56.441 56.100 -0.019 0.000 0.715 279 R CB -1.774 28.518 30.300 -0.013 0.000 1.199 279 R HN 0.370 nan 8.270 nan 0.000 0.421 280 R N 1.449 121.934 120.500 -0.026 0.000 2.393 280 R HA 0.312 4.652 4.340 0.001 0.000 0.310 280 R C -1.992 174.288 176.300 -0.034 0.000 0.968 280 R CA -1.950 54.135 56.100 -0.025 0.000 0.867 280 R CB 1.097 31.383 30.300 -0.022 0.000 1.124 280 R HN -0.046 nan 8.270 nan 0.000 0.450 281 P HA -0.017 nan 4.420 nan 0.000 0.260 281 P C -2.345 174.936 177.300 -0.032 0.000 1.185 281 P CA -0.486 62.599 63.100 -0.025 0.000 0.763 281 P CB 0.236 31.928 31.700 -0.014 0.000 0.776 282 P HA 0.580 nan 4.420 nan 0.000 0.310 282 P C -0.107 177.170 177.300 -0.039 0.000 1.309 282 P CA -0.221 62.850 63.100 -0.048 0.000 0.769 282 P CB 1.638 33.298 31.700 -0.066 0.000 1.327 283 G N -1.244 107.527 108.800 -0.048 0.000 2.604 283 G HA2 0.272 4.233 3.960 0.001 0.000 0.242 283 G HA3 0.272 4.233 3.960 0.001 0.000 0.242 283 G C -0.974 173.869 174.900 -0.094 0.000 1.208 283 G CA -0.907 44.159 45.100 -0.057 0.000 0.912 283 G HN 0.411 nan 8.290 nan 0.000 0.502 284 R N 1.015 121.427 120.500 -0.145 0.000 2.500 284 R HA 0.070 4.411 4.340 0.001 0.000 0.281 284 R C 0.016 176.233 176.300 -0.139 0.000 0.953 284 R CA 0.973 56.964 56.100 -0.182 0.000 1.108 284 R CB -0.086 29.993 30.300 -0.367 0.000 0.901 284 R HN 0.718 nan 8.270 nan 0.000 0.410 285 E N 1.648 121.782 120.200 -0.111 0.000 2.257 285 E HA -0.336 4.015 4.350 0.001 0.000 0.224 285 E C 0.436 176.800 176.600 -0.393 0.000 1.286 285 E CA 0.472 56.754 56.400 -0.197 0.000 0.716 285 E CB -0.855 28.771 29.700 -0.123 0.000 1.159 285 E HN 0.839 nan 8.360 nan 0.000 0.367 286 A N -1.618 121.063 122.820 -0.231 0.000 3.100 286 A HA -0.316 4.004 4.320 0.001 0.000 0.268 286 A C 0.100 177.566 177.584 -0.197 0.000 1.227 286 A CA 1.814 53.728 52.037 -0.206 0.000 0.967 286 A CB -2.143 16.729 19.000 -0.214 0.000 1.066 286 A HN 0.537 nan 8.150 nan 0.000 0.787 287 Y N 0.986 121.221 120.300 -0.108 0.000 2.526 287 Y HA 0.298 4.849 4.550 0.001 0.000 0.330 287 Y C -0.699 175.142 175.900 -0.098 0.000 1.156 287 Y CA -1.046 57.007 58.100 -0.079 0.000 1.419 287 Y CB 0.386 38.821 38.460 -0.042 0.000 1.250 287 Y HN 0.297 nan 8.280 nan 0.000 0.540 288 P HA -0.071 nan 4.420 nan 0.000 0.286 288 P C 0.455 177.799 177.300 0.074 0.000 1.278 288 P CA 0.094 63.147 63.100 -0.078 0.000 0.785 288 P CB 0.548 31.989 31.700 -0.431 0.000 1.269 289 G N -1.120 107.728 108.800 0.079 0.000 3.609 289 G HA2 0.110 4.070 3.960 0.001 0.000 0.280 289 G HA3 0.110 4.070 3.960 0.001 0.000 0.280 289 G C -0.002 175.019 174.900 0.200 0.000 1.155 289 G CA -0.065 45.116 45.100 0.135 0.000 0.876 289 G HN 0.370 nan 8.290 nan 0.000 0.535 290 D N 0.104 120.708 120.400 0.339 0.000 2.822 290 D HA 0.041 4.682 4.640 0.001 0.000 0.327 290 D C 1.548 178.234 176.300 0.644 0.000 1.577 290 D CA -0.116 54.139 54.000 0.426 0.000 0.785 290 D CB 1.061 42.073 40.800 0.353 0.000 1.199 290 D HN 0.080 nan 8.370 nan 0.000 0.443 291 V N 0.118 120.380 119.914 0.580 0.000 3.041 291 V HA -0.081 4.040 4.120 0.001 0.000 0.260 291 V C 1.785 178.029 176.094 0.249 0.000 1.105 291 V CA 0.826 63.406 62.300 0.467 0.000 1.125 291 V CB -0.483 31.586 31.823 0.411 0.000 0.730 291 V HN 0.182 nan 8.190 nan 0.000 0.479 292 F N -0.249 119.811 119.950 0.183 0.000 2.743 292 F HA 0.169 4.697 4.527 0.001 0.000 0.297 292 F C 1.268 176.875 175.800 -0.321 0.000 1.131 292 F CA 0.128 58.086 58.000 -0.069 0.000 1.426 292 F CB 0.167 39.133 39.000 -0.056 0.000 1.116 292 F HN 0.209 nan 8.300 nan 0.000 0.583 293 Y N 0.757 121.029 120.300 -0.047 0.000 2.811 293 Y HA 0.307 4.858 4.550 0.001 0.000 0.330 293 Y C 0.805 176.592 175.900 -0.189 0.000 1.081 293 Y CA -0.199 57.826 58.100 -0.125 0.000 1.408 293 Y CB -0.474 37.992 38.460 0.010 0.000 1.235 293 Y HN 0.039 nan 8.280 nan 0.000 0.529 294 L N -1.856 119.189 121.223 -0.297 0.000 2.803 294 L HA 0.191 4.531 4.340 0.001 0.000 0.246 294 L C 1.392 177.926 176.870 -0.561 0.000 1.100 294 L CA 0.259 54.820 54.840 -0.465 0.000 0.919 294 L CB 0.327 41.981 42.059 -0.675 0.000 1.285 294 L HN 0.250 nan 8.230 nan 0.000 0.522 295 H N -0.933 117.909 119.070 -0.381 0.000 2.545 295 H HA 0.147 4.703 4.556 0.001 0.000 0.251 295 H C 2.126 177.169 175.328 -0.475 0.000 0.934 295 H CA 0.950 56.753 56.048 -0.408 0.000 1.116 295 H CB 0.174 29.722 29.762 -0.357 0.000 1.439 295 H HN 0.155 nan 8.280 nan 0.000 0.445 296 S N 1.149 116.486 115.700 -0.606 0.000 2.795 296 S HA -0.035 4.435 4.470 0.001 0.000 0.236 296 S C 1.652 176.025 174.600 -0.379 0.000 0.973 296 S CA 0.605 58.415 58.200 -0.650 0.000 0.982 296 S CB 0.073 62.573 63.200 -1.167 0.000 0.786 296 S HN 0.305 nan 8.310 nan 0.000 0.538 297 R N -1.228 119.108 120.500 -0.273 0.000 2.428 297 R HA 0.345 4.685 4.340 0.001 0.000 0.193 297 R C 1.726 177.911 176.300 -0.192 0.000 0.852 297 R CA 0.002 56.006 56.100 -0.160 0.000 1.055 297 R CB -0.392 29.875 30.300 -0.056 0.000 1.343 297 R HN 0.384 nan 8.270 nan 0.000 0.655 298 L N 1.604 122.633 121.223 -0.322 0.000 2.012 298 L HA -0.075 4.265 4.340 0.001 0.000 0.210 298 L C 1.991 178.763 176.870 -0.163 0.000 1.073 298 L CA 1.776 56.378 54.840 -0.396 0.000 0.748 298 L CB -0.324 41.338 42.059 -0.661 0.000 0.891 298 L HN 0.213 nan 8.230 nan 0.000 0.431 299 L N -1.389 119.750 121.223 -0.139 0.000 2.395 299 L HA -0.062 4.279 4.340 0.001 0.000 0.218 299 L C 2.305 179.133 176.870 -0.069 0.000 1.130 299 L CA 0.332 55.132 54.840 -0.067 0.000 0.826 299 L CB -0.502 41.499 42.059 -0.096 0.000 0.941 299 L HN 0.239 nan 8.230 nan 0.000 0.451 300 E N 0.552 120.699 120.200 -0.089 0.000 2.122 300 E HA -0.067 4.283 4.350 0.001 0.000 0.190 300 E C 2.035 178.618 176.600 -0.028 0.000 0.977 300 E CA 0.615 56.979 56.400 -0.060 0.000 0.820 300 E CB -0.024 29.637 29.700 -0.067 0.000 0.770 300 E HN 0.403 nan 8.360 nan 0.000 0.462 301 R N 0.706 121.191 120.500 -0.025 0.000 2.377 301 R HA 0.050 4.390 4.340 0.001 0.000 0.207 301 R C 0.376 176.675 176.300 -0.001 0.000 1.075 301 R CA 0.334 56.438 56.100 0.006 0.000 1.035 301 R CB 0.014 30.320 30.300 0.009 0.000 0.857 301 R HN -0.070 nan 8.270 nan 0.000 0.475 302 A N 0.590 123.401 122.820 -0.014 0.000 2.288 302 A HA 0.763 5.083 4.320 0.001 0.000 0.320 302 A C -0.456 177.107 177.584 -0.036 0.000 1.217 302 A CA -0.221 51.801 52.037 -0.026 0.000 0.840 302 A CB 1.187 20.177 19.000 -0.017 0.000 1.179 302 A HN 0.223 nan 8.150 nan 0.000 0.504 303 A N 1.928 124.719 122.820 -0.048 0.000 2.457 303 A HA 0.722 5.042 4.320 0.001 0.000 0.305 303 A C -1.236 176.313 177.584 -0.057 0.000 1.110 303 A CA -0.604 51.407 52.037 -0.043 0.000 0.616 303 A CB 0.549 19.538 19.000 -0.019 0.000 1.371 303 A HN 0.944 nan 8.150 nan 0.000 0.525 304 K N 1.397 121.773 120.400 -0.040 0.000 2.354 304 K HA 0.624 4.945 4.320 0.001 0.000 0.257 304 K C -0.939 175.660 176.600 -0.001 0.000 1.062 304 K CA -0.266 55.997 56.287 -0.040 0.000 0.971 304 K CB -0.572 31.913 32.500 -0.024 0.000 1.305 304 K HN 0.563 nan 8.250 nan 0.000 0.449 305 L N 2.733 123.959 121.223 0.005 0.000 2.499 305 L HA 0.057 4.397 4.340 0.001 0.000 0.281 305 L C 0.778 177.676 176.870 0.046 0.000 1.234 305 L CA -0.106 54.761 54.840 0.044 0.000 0.839 305 L CB 0.301 42.402 42.059 0.070 0.000 1.104 305 L HN 0.778 nan 8.230 nan 0.000 0.500 306 S N 0.260 115.991 115.700 0.051 0.000 2.580 306 S HA -0.028 4.442 4.470 0.001 0.000 0.261 306 S C 1.088 175.710 174.600 0.037 0.000 1.366 306 S CA -0.218 58.005 58.200 0.040 0.000 0.996 306 S CB 0.856 64.078 63.200 0.037 0.000 0.902 306 S HN 0.754 nan 8.310 nan 0.000 0.566 307 S N 0.144 115.858 115.700 0.022 0.000 2.607 307 S HA 0.108 4.579 4.470 0.001 0.000 0.224 307 S C 0.968 175.580 174.600 0.020 0.000 0.969 307 S CA -0.083 58.128 58.200 0.018 0.000 0.927 307 S CB -0.771 62.429 63.200 -0.001 0.000 0.772 307 S HN 0.652 nan 8.310 nan 0.000 0.533 308 L N 0.551 121.788 121.223 0.023 0.000 2.653 308 L HA 0.430 4.771 4.340 0.001 0.000 0.232 308 L C 1.072 177.961 176.870 0.032 0.000 1.169 308 L CA 0.143 54.996 54.840 0.022 0.000 0.951 308 L CB -0.132 41.938 42.059 0.018 0.000 1.181 308 L HN 0.362 nan 8.230 nan 0.000 0.460 309 L N -1.555 119.696 121.223 0.047 0.000 3.154 309 L HA 0.338 4.678 4.340 0.001 0.000 0.280 309 L C 1.186 178.105 176.870 0.081 0.000 1.134 309 L CA 0.597 55.480 54.840 0.071 0.000 1.037 309 L CB 1.021 43.145 42.059 0.110 0.000 1.571 309 L HN 0.254 nan 8.230 nan 0.000 0.576 310 G N -0.559 108.280 108.800 0.064 0.000 2.870 310 G HA2 -0.133 3.827 3.960 0.001 0.000 0.216 310 G HA3 -0.133 3.827 3.960 0.001 0.000 0.216 310 G C 0.368 175.309 174.900 0.069 0.000 0.973 310 G CA 0.067 45.201 45.100 0.058 0.000 0.807 310 G HN 0.164 nan 8.290 nan 0.000 0.573 311 E N -1.079 119.166 120.200 0.074 0.000 3.680 311 E HA -0.211 4.139 4.350 0.001 0.000 0.309 311 E C 1.335 178.052 176.600 0.195 0.000 0.793 311 E CA 0.764 57.226 56.400 0.103 0.000 1.083 311 E CB -1.267 28.494 29.700 0.102 0.000 1.548 311 E HN 1.252 nan 8.360 nan 0.000 0.456 312 G N 0.657 109.550 108.800 0.156 0.000 2.554 312 G HA2 0.333 4.293 3.960 0.001 0.000 0.238 312 G HA3 0.333 4.293 3.960 0.001 0.000 0.238 312 G C 0.018 174.983 174.900 0.109 0.000 1.259 312 G CA 0.494 45.724 45.100 0.217 0.000 0.843 312 G HN 0.265 nan 8.290 nan 0.000 0.582 313 S N 0.021 115.781 115.700 0.101 0.000 2.685 313 S HA 0.783 5.254 4.470 0.001 0.000 0.282 313 S C -0.692 173.867 174.600 -0.068 0.000 1.159 313 S CA -0.927 57.204 58.200 -0.115 0.000 0.833 313 S CB 2.097 65.079 63.200 -0.363 0.000 1.151 313 S HN 0.997 nan 8.310 nan 0.000 0.485 314 M N 1.443 120.989 119.600 -0.090 0.000 2.238 314 M HA 0.463 4.943 4.480 0.001 0.000 0.278 314 M C -1.894 174.360 176.300 -0.076 0.000 1.040 314 M CA 0.028 55.291 55.300 -0.063 0.000 0.969 314 M CB 2.101 34.669 32.600 -0.052 0.000 1.694 314 M HN 0.782 nan 8.290 nan 0.000 0.472 315 T N 3.648 118.155 114.554 -0.079 0.000 2.758 315 T HA 0.791 5.142 4.350 0.001 0.000 0.285 315 T C -0.637 173.997 174.700 -0.110 0.000 0.981 315 T CA -0.499 61.549 62.100 -0.086 0.000 0.965 315 T CB 1.203 70.024 68.868 -0.079 0.000 0.927 315 T HN 0.682 nan 8.240 nan 0.000 0.448 316 A N 3.866 126.618 122.820 -0.113 0.000 2.330 316 A HA 0.806 5.126 4.320 0.001 0.000 0.327 316 A C -0.657 176.833 177.584 -0.156 0.000 1.155 316 A CA -0.678 51.250 52.037 -0.181 0.000 0.803 316 A CB 0.607 19.539 19.000 -0.114 0.000 1.208 316 A HN 0.849 nan 8.150 nan 0.000 0.477 317 L N 4.806 125.899 121.223 -0.217 0.000 2.366 317 L HA 0.377 4.717 4.340 0.001 0.000 0.266 317 L C -2.355 174.428 176.870 -0.145 0.000 1.010 317 L CA -1.660 53.094 54.840 -0.143 0.000 0.879 317 L CB 2.299 44.292 42.059 -0.110 0.000 1.228 317 L HN 0.522 nan 8.230 nan 0.000 0.439 318 P HA 0.348 nan 4.420 nan 0.000 0.290 318 P C -0.655 176.629 177.300 -0.027 0.000 1.276 318 P CA -0.328 62.801 63.100 0.049 0.000 0.808 318 P CB 1.908 33.657 31.700 0.082 0.000 0.966 319 I N 2.445 123.009 120.570 -0.011 0.000 2.437 319 I HA 0.393 4.564 4.170 0.001 0.000 0.298 319 I C -0.042 176.056 176.117 -0.031 0.000 0.984 319 I CA -1.004 60.281 61.300 -0.024 0.000 1.214 319 I CB 1.948 39.947 38.000 -0.000 0.000 1.365 319 I HN 0.019 nan 8.210 nan 0.000 0.469 320 V N 5.452 125.346 119.914 -0.034 0.000 2.462 320 V HA 0.216 4.337 4.120 0.001 0.000 0.288 320 V C -0.126 175.980 176.094 0.020 0.000 1.020 320 V CA -0.749 61.538 62.300 -0.023 0.000 0.857 320 V CB 1.431 33.211 31.823 -0.072 0.000 1.013 320 V HN 0.708 nan 8.190 nan 0.000 0.431 321 E N 2.397 122.625 120.200 0.046 0.000 2.404 321 E HA 0.411 4.762 4.350 0.001 0.000 0.261 321 E C 0.249 176.896 176.600 0.079 0.000 1.074 321 E CA -0.024 56.416 56.400 0.068 0.000 0.917 321 E CB 1.171 30.916 29.700 0.074 0.000 0.965 321 E HN 0.812 nan 8.360 nan 0.000 0.433 322 T N -0.544 114.061 114.554 0.086 0.000 2.905 322 T HA 0.393 4.743 4.350 0.001 0.000 0.283 322 T C -0.489 174.260 174.700 0.081 0.000 1.031 322 T CA -1.132 61.021 62.100 0.088 0.000 1.002 322 T CB 1.435 70.359 68.868 0.093 0.000 1.200 322 T HN 0.199 nan 8.240 nan 0.000 0.560 323 Q N 0.240 120.085 119.800 0.075 0.000 2.337 323 Q HA 0.567 4.908 4.340 0.001 0.000 0.264 323 Q C 0.009 176.039 176.000 0.049 0.000 1.007 323 Q CA -0.273 55.568 55.803 0.064 0.000 0.727 323 Q CB 1.307 30.086 28.738 0.069 0.000 1.256 323 Q HN 1.372 nan 8.270 nan 0.000 0.467 324 A N 1.821 124.666 122.820 0.041 0.000 2.925 324 A HA -0.129 4.191 4.320 0.001 0.000 0.265 324 A C 1.086 178.679 177.584 0.014 0.000 1.419 324 A CA 1.310 53.362 52.037 0.025 0.000 0.807 324 A CB -2.141 16.873 19.000 0.024 0.000 1.043 324 A HN 1.641 nan 8.150 nan 0.000 0.600 325 G N -0.960 107.851 108.800 0.019 0.000 2.203 325 G HA2 -0.182 3.778 3.960 0.001 0.000 0.263 325 G HA3 -0.182 3.778 3.960 0.001 0.000 0.263 325 G C -0.072 174.830 174.900 0.003 0.000 1.012 325 G CA 1.282 46.385 45.100 0.004 0.000 0.749 325 G HN 2.012 nan 8.290 nan 0.000 0.512 326 D N 0.023 120.439 120.400 0.027 0.000 2.483 326 D HA 0.451 5.091 4.640 0.001 0.000 0.220 326 D C 1.521 177.852 176.300 0.051 0.000 1.173 326 D CA -0.035 53.984 54.000 0.032 0.000 0.964 326 D CB 0.618 41.444 40.800 0.044 0.000 1.046 326 D HN 0.011 nan 8.370 nan 0.000 0.517 327 V N 2.499 122.435 119.914 0.035 0.000 2.307 327 V HA -0.205 3.916 4.120 0.001 0.000 0.245 327 V C 2.164 178.299 176.094 0.069 0.000 1.045 327 V CA 1.743 64.084 62.300 0.069 0.000 1.024 327 V CB -0.519 31.321 31.823 0.028 0.000 0.651 327 V HN 0.541 nan 8.190 nan 0.000 0.449 328 S N 0.562 116.289 115.700 0.046 0.000 2.571 328 S HA 0.038 4.508 4.470 0.001 0.000 0.245 328 S C 1.024 175.672 174.600 0.081 0.000 0.976 328 S CA 0.483 58.715 58.200 0.053 0.000 0.954 328 S CB -0.727 62.496 63.200 0.038 0.000 0.756 328 S HN 0.604 nan 8.310 nan 0.000 0.535 329 A N 0.906 123.783 122.820 0.095 0.000 2.498 329 A HA 0.285 4.605 4.320 0.001 0.000 0.239 329 A C 0.914 178.594 177.584 0.159 0.000 1.068 329 A CA -0.333 51.788 52.037 0.140 0.000 0.766 329 A CB -0.162 18.922 19.000 0.141 0.000 1.003 329 A HN 0.298 nan 8.150 nan 0.000 0.497 330 Y N 2.658 122.999 120.300 0.069 0.000 1.885 330 Y HA -0.333 4.217 4.550 0.001 0.000 0.233 330 Y C 1.864 177.753 175.900 -0.017 0.000 1.104 330 Y CA 2.876 60.992 58.100 0.026 0.000 1.045 330 Y CB -0.674 37.806 38.460 0.033 0.000 0.906 330 Y HN 0.617 nan 8.280 nan 0.000 0.508 331 I N 0.248 120.802 120.570 -0.027 0.000 2.087 331 I HA -0.292 3.878 4.170 0.001 0.000 0.240 331 I C -0.648 175.429 176.117 -0.066 0.000 1.054 331 I CA 2.346 63.579 61.300 -0.111 0.000 1.311 331 I CB -1.903 36.085 38.000 -0.020 0.000 1.024 331 I HN 0.251 nan 8.210 nan 0.000 0.402 332 P HA -0.129 nan 4.420 nan 0.000 0.218 332 P C 1.809 179.105 177.300 -0.007 0.000 1.148 332 P CA 1.631 64.731 63.100 0.000 0.000 0.822 332 P CB -0.131 31.605 31.700 0.059 0.000 0.784 333 T N -0.713 113.834 114.554 -0.011 0.000 2.643 333 T HA -0.139 4.212 4.350 0.001 0.000 0.264 333 T C 1.657 176.325 174.700 -0.054 0.000 1.045 333 T CA 1.454 63.542 62.100 -0.020 0.000 1.155 333 T CB -0.932 67.923 68.868 -0.022 0.000 0.863 333 T HN 0.132 nan 8.240 nan 0.000 0.420 334 N N 0.992 119.615 118.700 -0.127 0.000 2.018 334 N HA -0.108 4.632 4.740 0.001 0.000 0.196 334 N C 2.068 177.608 175.510 0.049 0.000 1.043 334 N CA 1.237 54.270 53.050 -0.028 0.000 0.856 334 N CB -0.956 37.489 38.487 -0.070 0.000 1.042 334 N HN 0.192 nan 8.380 nan 0.000 0.423 335 V N 2.429 122.306 119.914 -0.063 0.000 2.252 335 V HA -0.228 3.892 4.120 0.001 0.000 0.249 335 V C 2.442 178.470 176.094 -0.110 0.000 1.056 335 V CA 1.420 63.611 62.300 -0.181 0.000 1.022 335 V CB -0.594 31.004 31.823 -0.374 0.000 0.641 335 V HN 0.257 nan 8.190 nan 0.000 0.445 336 I N 1.209 121.733 120.570 -0.076 0.000 2.300 336 I HA -0.262 3.908 4.170 0.001 0.000 0.252 336 I C 2.248 178.353 176.117 -0.020 0.000 1.119 336 I CA 2.037 63.307 61.300 -0.050 0.000 1.384 336 I CB -0.329 37.673 38.000 0.005 0.000 1.062 336 I HN 0.529 nan 8.210 nan 0.000 0.426 337 S N -0.538 115.169 115.700 0.012 0.000 2.671 337 S HA 0.197 4.667 4.470 0.001 0.000 0.220 337 S C 1.293 175.927 174.600 0.057 0.000 0.951 337 S CA -0.030 58.195 58.200 0.041 0.000 0.932 337 S CB -0.260 62.977 63.200 0.062 0.000 0.777 337 S HN 0.466 nan 8.310 nan 0.000 0.508 338 I N 0.197 120.766 120.570 -0.003 0.000 4.312 338 I HA 0.140 4.310 4.170 0.001 0.000 0.324 338 I C 0.454 176.525 176.117 -0.077 0.000 1.298 338 I CA 0.156 61.420 61.300 -0.059 0.000 1.231 338 I CB 0.650 38.559 38.000 -0.152 0.000 1.152 338 I HN 0.177 nan 8.210 nan 0.000 0.421 339 T N 0.721 115.228 114.554 -0.078 0.000 2.934 339 T HA 0.185 4.536 4.350 0.001 0.000 0.283 339 T C 0.224 174.884 174.700 -0.068 0.000 1.005 339 T CA -0.342 61.708 62.100 -0.084 0.000 1.041 339 T CB 1.328 70.131 68.868 -0.108 0.000 1.042 339 T HN 0.005 nan 8.240 nan 0.000 0.505 340 D N 1.255 121.614 120.400 -0.068 0.000 2.460 340 D HA 0.376 5.016 4.640 0.001 0.000 0.229 340 D C 0.692 176.955 176.300 -0.063 0.000 1.170 340 D CA 0.161 54.126 54.000 -0.058 0.000 0.827 340 D CB 0.195 40.961 40.800 -0.058 0.000 0.973 340 D HN 0.761 nan 8.370 nan 0.000 0.496 341 G N 0.836 109.590 108.800 -0.077 0.000 2.350 341 G HA2 0.198 4.158 3.960 0.001 0.000 0.305 341 G HA3 0.198 4.158 3.960 0.001 0.000 0.305 341 G C -1.688 173.121 174.900 -0.151 0.000 1.479 341 G CA -0.946 44.101 45.100 -0.089 0.000 0.949 341 G HN 0.001 nan 8.290 nan 0.000 0.651 342 Q N -0.501 119.174 119.800 -0.209 0.000 2.484 342 Q HA 0.737 5.077 4.340 0.001 0.000 0.285 342 Q C -0.915 174.882 176.000 -0.338 0.000 1.097 342 Q CA -1.146 54.419 55.803 -0.396 0.000 0.802 342 Q CB 2.899 31.165 28.738 -0.786 0.000 1.444 342 Q HN 0.562 nan 8.270 nan 0.000 0.429 343 I N 1.752 122.109 120.570 -0.354 0.000 2.833 343 I HA 0.259 4.430 4.170 0.001 0.000 0.286 343 I C -0.782 175.248 176.117 -0.145 0.000 1.287 343 I CA -0.485 60.712 61.300 -0.172 0.000 1.046 343 I CB 0.259 38.206 38.000 -0.089 0.000 1.612 343 I HN 0.474 nan 8.210 nan 0.000 0.585 344 F N 3.965 123.915 119.950 -0.001 0.000 2.629 344 F HA 0.088 4.615 4.527 0.000 0.000 0.369 344 F C 0.453 176.258 175.800 0.010 0.000 1.125 344 F CA 0.509 58.508 58.000 -0.000 0.000 1.330 344 F CB 0.375 39.369 39.000 -0.010 0.000 1.071 344 F HN 0.155 nan 8.300 nan 0.000 0.595 345 L N 2.608 123.954 121.223 0.205 0.000 2.386 345 L HA 0.495 4.836 4.340 0.001 0.000 0.271 345 L C -0.601 176.310 176.870 0.067 0.000 0.993 345 L CA -0.826 54.097 54.840 0.140 0.000 0.819 345 L CB 2.240 44.395 42.059 0.161 0.000 1.294 345 L HN 0.619 nan 8.230 nan 0.000 0.414 346 S N 0.427 116.090 115.700 -0.062 0.000 2.501 346 S HA 0.634 5.104 4.470 0.001 0.000 0.301 346 S C 0.516 174.651 174.600 -0.775 0.000 1.096 346 S CA -0.251 57.799 58.200 -0.250 0.000 1.063 346 S CB 2.065 65.155 63.200 -0.183 0.000 1.042 346 S HN 0.705 nan 8.310 nan 0.000 0.494 347 A N 1.042 123.482 122.820 -0.632 0.000 2.123 347 A HA 0.090 4.410 4.320 0.001 0.000 0.214 347 A C 1.344 178.584 177.584 -0.573 0.000 1.152 347 A CA 0.646 52.199 52.037 -0.807 0.000 0.728 347 A CB -0.366 18.498 19.000 -0.227 0.000 0.814 347 A HN 0.845 nan 8.150 nan 0.000 0.464 348 D N -0.244 119.930 120.400 -0.376 0.000 2.301 348 D HA 0.074 4.714 4.640 0.001 0.000 0.206 348 D C 0.944 177.142 176.300 -0.170 0.000 0.979 348 D CA 0.532 54.416 54.000 -0.194 0.000 0.874 348 D CB 0.065 40.796 40.800 -0.116 0.000 0.968 348 D HN 0.379 nan 8.370 nan 0.000 0.510 349 L N 0.825 121.906 121.223 -0.237 0.000 2.888 349 L HA 0.244 4.584 4.340 0.001 0.000 0.237 349 L C 1.023 177.893 176.870 -0.001 0.000 1.288 349 L CA -0.288 54.490 54.840 -0.102 0.000 1.110 349 L CB -0.364 41.654 42.059 -0.068 0.000 1.441 349 L HN -0.100 nan 8.230 nan 0.000 0.474 350 F N 0.195 120.156 119.950 0.020 0.000 2.238 350 F HA 0.010 4.537 4.527 0.000 0.000 0.262 350 F C 2.116 177.924 175.800 0.014 0.000 1.196 350 F CA -0.295 57.716 58.000 0.018 0.000 1.056 350 F CB -0.130 38.882 39.000 0.020 0.000 1.032 350 F HN 0.193 nan 8.300 nan 0.000 0.545 351 N N 1.269 120.133 118.700 0.274 0.000 2.242 351 N HA -0.238 4.502 4.740 0.001 0.000 0.193 351 N C 1.466 177.029 175.510 0.090 0.000 1.000 351 N CA 1.212 54.342 53.050 0.134 0.000 0.885 351 N CB -0.878 37.677 38.487 0.113 0.000 0.988 351 N HN 0.283 nan 8.380 nan 0.000 0.444 352 A N 0.359 123.231 122.820 0.087 0.000 2.292 352 A HA 0.188 4.509 4.320 0.001 0.000 0.209 352 A C 1.841 179.450 177.584 0.042 0.000 1.209 352 A CA 1.483 53.550 52.037 0.050 0.000 0.746 352 A CB -0.804 18.218 19.000 0.037 0.000 0.764 352 A HN 0.516 nan 8.150 nan 0.000 0.492 353 G N -1.011 107.821 108.800 0.053 0.000 2.397 353 G HA2 -0.211 3.749 3.960 0.001 0.000 0.211 353 G HA3 -0.211 3.749 3.960 0.001 0.000 0.211 353 G C 0.190 175.119 174.900 0.048 0.000 1.077 353 G CA -0.129 44.993 45.100 0.037 0.000 0.649 353 G HN 0.471 nan 8.290 nan 0.000 0.511 354 I N 2.917 123.523 120.570 0.060 0.000 2.886 354 I HA 0.203 4.374 4.170 0.001 0.000 0.293 354 I C 0.379 176.561 176.117 0.109 0.000 1.157 354 I CA 0.775 62.119 61.300 0.072 0.000 1.472 354 I CB -0.906 37.137 38.000 0.072 0.000 1.492 354 I HN 0.166 nan 8.210 nan 0.000 0.652 355 R N 7.670 128.214 120.500 0.074 0.000 2.539 355 R HA 0.381 4.721 4.340 0.001 0.000 0.295 355 R C -2.643 173.681 176.300 0.039 0.000 1.138 355 R CA -1.528 54.610 56.100 0.063 0.000 0.936 355 R CB 2.557 32.876 30.300 0.032 0.000 1.182 355 R HN 0.228 nan 8.270 nan 0.000 0.459 356 P HA 0.148 nan 4.420 nan 0.000 0.274 356 P C -0.586 176.782 177.300 0.114 0.000 1.231 356 P CA -0.452 62.693 63.100 0.074 0.000 0.790 356 P CB 0.989 32.722 31.700 0.056 0.000 0.951 357 A N 4.241 127.174 122.820 0.190 0.000 2.527 357 A HA 0.387 4.707 4.320 0.001 0.000 0.313 357 A C 0.240 177.901 177.584 0.128 0.000 1.410 357 A CA -0.437 51.712 52.037 0.186 0.000 1.060 357 A CB -0.853 18.322 19.000 0.293 0.000 1.137 357 A HN 0.345 nan 8.150 nan 0.000 0.542 358 I N 2.946 123.570 120.570 0.090 0.000 2.328 358 I HA 0.146 4.317 4.170 0.001 0.000 0.287 358 I C -0.192 175.968 176.117 0.073 0.000 1.012 358 I CA -0.489 60.858 61.300 0.079 0.000 1.195 358 I CB 1.027 39.064 38.000 0.061 0.000 1.350 358 I HN 0.492 nan 8.210 nan 0.000 0.464 359 N N 5.684 124.439 118.700 0.093 0.000 3.105 359 N HA 0.003 4.744 4.740 0.001 0.000 0.309 359 N C 1.567 177.133 175.510 0.092 0.000 1.291 359 N CA 0.028 53.126 53.050 0.081 0.000 1.153 359 N CB 0.504 39.044 38.487 0.087 0.000 1.447 359 N HN 0.419 nan 8.380 nan 0.000 0.555 360 V N -0.417 119.539 119.914 0.070 0.000 2.876 360 V HA -0.261 3.859 4.120 0.001 0.000 0.265 360 V C 2.300 178.424 176.094 0.050 0.000 1.135 360 V CA 2.027 64.361 62.300 0.057 0.000 1.152 360 V CB -1.012 30.836 31.823 0.042 0.000 0.727 360 V HN 0.477 nan 8.190 nan 0.000 0.511 361 G N -0.316 108.510 108.800 0.043 0.000 2.421 361 G HA2 -0.066 3.895 3.960 0.001 0.000 0.217 361 G HA3 -0.066 3.895 3.960 0.001 0.000 0.217 361 G C 1.379 176.295 174.900 0.026 0.000 1.143 361 G CA 0.818 45.929 45.100 0.019 0.000 0.784 361 G HN 0.588 nan 8.290 nan 0.000 0.541 362 I N 0.151 120.762 120.570 0.067 0.000 4.323 362 I HA 0.130 4.300 4.170 0.001 0.000 0.328 362 I C 0.389 176.689 176.117 0.305 0.000 1.310 362 I CA -0.068 61.293 61.300 0.102 0.000 1.186 362 I CB 0.601 38.547 38.000 -0.089 0.000 1.130 362 I HN -0.136 nan 8.210 nan 0.000 0.411 363 S N 2.524 118.399 115.700 0.290 0.000 2.509 363 S HA 0.244 4.715 4.470 0.001 0.000 0.287 363 S C 0.149 174.797 174.600 0.081 0.000 1.248 363 S CA -0.112 58.197 58.200 0.182 0.000 1.089 363 S CB 0.631 63.888 63.200 0.096 0.000 0.900 363 S HN 0.019 nan 8.310 nan 0.000 0.496 364 V N 2.272 122.212 119.914 0.044 0.000 3.177 364 V HA 0.791 4.911 4.120 0.001 0.000 0.319 364 V C 0.240 176.319 176.094 -0.025 0.000 1.125 364 V CA -0.899 61.410 62.300 0.014 0.000 1.029 364 V CB 2.077 33.916 31.823 0.028 0.000 1.119 364 V HN 0.695 nan 8.190 nan 0.000 0.452 365 S N -0.385 115.299 115.700 -0.025 0.000 2.423 365 S HA 0.333 4.804 4.470 0.001 0.000 0.213 365 S C 0.712 175.287 174.600 -0.041 0.000 1.131 365 S CA -0.639 57.537 58.200 -0.039 0.000 1.155 365 S CB 0.468 63.645 63.200 -0.039 0.000 1.202 365 S HN 0.674 nan 8.310 nan 0.000 0.441 366 R N 1.725 122.199 120.500 -0.042 0.000 2.211 366 R HA -0.082 4.259 4.340 0.001 0.000 0.240 366 R C 1.710 177.978 176.300 -0.054 0.000 1.144 366 R CA 1.591 57.666 56.100 -0.042 0.000 0.992 366 R CB -0.353 29.923 30.300 -0.040 0.000 0.869 366 R HN 0.525 nan 8.270 nan 0.000 0.462 367 V N 0.030 119.907 119.914 -0.063 0.000 2.427 367 V HA -0.071 4.049 4.120 0.001 0.000 0.248 367 V C 1.337 177.379 176.094 -0.087 0.000 1.051 367 V CA 1.686 63.936 62.300 -0.082 0.000 1.048 367 V CB -0.656 31.116 31.823 -0.085 0.000 0.666 367 V HN 0.752 nan 8.190 nan 0.000 0.456 368 G N -0.219 108.541 108.800 -0.067 0.000 2.610 368 G HA2 -0.209 3.752 3.960 0.001 0.000 0.304 368 G HA3 -0.209 3.752 3.960 0.001 0.000 0.304 368 G C 0.577 175.443 174.900 -0.056 0.000 1.309 368 G CA 0.230 45.294 45.100 -0.059 0.000 0.906 368 G HN 0.817 nan 8.290 nan 0.000 0.521 369 S N -0.446 115.227 115.700 -0.045 0.000 2.537 369 S HA 0.215 4.686 4.470 0.001 0.000 0.240 369 S C 2.518 177.095 174.600 -0.038 0.000 0.981 369 S CA 1.581 59.761 58.200 -0.033 0.000 0.948 369 S CB -0.217 62.969 63.200 -0.024 0.000 0.759 369 S HN 2.229 nan 8.310 nan 0.000 0.531 370 A N 1.355 124.135 122.820 -0.068 0.000 2.139 370 A HA 0.225 4.545 4.320 0.001 0.000 0.221 370 A C 2.124 179.667 177.584 -0.069 0.000 1.159 370 A CA 1.383 53.360 52.037 -0.099 0.000 0.662 370 A CB -0.964 17.914 19.000 -0.203 0.000 0.796 370 A HN 0.916 nan 8.150 nan 0.000 0.463 371 A N -1.131 121.659 122.820 -0.051 0.000 2.337 371 A HA 0.365 4.685 4.320 0.001 0.000 0.227 371 A C 0.606 178.189 177.584 -0.003 0.000 1.259 371 A CA -0.181 51.841 52.037 -0.027 0.000 0.870 371 A CB -0.057 18.921 19.000 -0.037 0.000 0.927 371 A HN 0.668 nan 8.150 nan 0.000 0.497 372 Q N -0.204 119.598 119.800 0.003 0.000 2.399 372 Q HA 0.563 4.903 4.340 0.001 0.000 0.276 372 Q C -0.336 175.683 176.000 0.031 0.000 1.098 372 Q CA -1.134 54.679 55.803 0.016 0.000 0.827 372 Q CB 1.522 30.266 28.738 0.010 0.000 1.386 372 Q HN 0.195 nan 8.270 nan 0.000 0.443 373 I N 0.675 121.270 120.570 0.041 0.000 3.080 373 I HA 0.015 4.185 4.170 0.001 0.000 0.213 373 I C 1.332 177.480 176.117 0.053 0.000 1.298 373 I CA 0.121 61.452 61.300 0.052 0.000 0.726 373 I CB -0.043 37.993 38.000 0.061 0.000 1.751 373 I HN 0.701 nan 8.210 nan 0.000 0.957 374 K N 1.081 121.520 120.400 0.064 0.000 2.168 374 K HA 0.187 4.508 4.320 0.001 0.000 0.201 374 K C 1.865 178.513 176.600 0.080 0.000 1.049 374 K CA 1.256 57.581 56.287 0.063 0.000 0.974 374 K CB -0.417 32.123 32.500 0.066 0.000 0.792 374 K HN 0.599 nan 8.250 nan 0.000 0.463 375 A N 0.810 123.702 122.820 0.120 0.000 1.986 375 A HA -0.178 4.142 4.320 0.001 0.000 0.220 375 A C 1.993 179.634 177.584 0.095 0.000 1.171 375 A CA 1.751 53.900 52.037 0.186 0.000 0.640 375 A CB -0.472 18.709 19.000 0.302 0.000 0.811 375 A HN 0.270 nan 8.150 nan 0.000 0.451 376 M N -0.883 118.759 119.600 0.071 0.000 2.216 376 M HA 0.009 4.490 4.480 0.001 0.000 0.264 376 M C 1.963 178.269 176.300 0.011 0.000 1.080 376 M CA 1.254 56.575 55.300 0.035 0.000 1.153 376 M CB -1.163 31.460 32.600 0.038 0.000 1.356 376 M HN 0.365 nan 8.290 nan 0.000 0.432 377 K N 0.692 121.103 120.400 0.018 0.000 2.059 377 K HA -0.199 4.121 4.320 0.001 0.000 0.212 377 K C 2.030 178.628 176.600 -0.004 0.000 1.050 377 K CA 1.519 57.810 56.287 0.006 0.000 0.927 377 K CB -0.217 32.291 32.500 0.013 0.000 0.714 377 K HN 0.313 nan 8.250 nan 0.000 0.447 378 K N 0.325 120.725 120.400 0.000 0.000 2.113 378 K HA -0.155 4.165 4.320 0.001 0.000 0.208 378 K C 2.032 178.607 176.600 -0.042 0.000 1.047 378 K CA 1.593 57.872 56.287 -0.013 0.000 0.928 378 K CB 0.035 32.534 32.500 -0.002 0.000 0.716 378 K HN 0.026 nan 8.250 nan 0.000 0.446 379 V N -0.008 119.871 119.914 -0.058 0.000 2.403 379 V HA -0.013 4.107 4.120 0.001 0.000 0.239 379 V C 2.202 178.270 176.094 -0.043 0.000 1.041 379 V CA 1.353 63.611 62.300 -0.071 0.000 1.051 379 V CB -0.702 31.063 31.823 -0.098 0.000 0.704 379 V HN 0.238 nan 8.190 nan 0.000 0.472 380 A N 1.404 124.207 122.820 -0.028 0.000 1.859 380 A HA -0.187 4.133 4.320 0.001 0.000 0.217 380 A C 2.421 179.992 177.584 -0.021 0.000 1.198 380 A CA 2.568 54.595 52.037 -0.017 0.000 0.629 380 A CB -1.608 17.387 19.000 -0.008 0.000 0.830 380 A HN 0.569 nan 8.150 nan 0.000 0.446 381 G N -0.429 108.358 108.800 -0.022 0.000 2.513 381 G HA2 -0.320 3.640 3.960 0.001 0.000 0.219 381 G HA3 -0.320 3.640 3.960 0.001 0.000 0.219 381 G C 1.669 176.548 174.900 -0.035 0.000 1.160 381 G CA 1.342 46.426 45.100 -0.026 0.000 0.767 381 G HN 0.629 nan 8.290 nan 0.000 0.571 382 K N -0.432 119.946 120.400 -0.036 0.000 2.057 382 K HA 0.045 4.366 4.320 0.001 0.000 0.206 382 K C 2.357 178.932 176.600 -0.041 0.000 1.050 382 K CA 0.872 57.134 56.287 -0.042 0.000 0.935 382 K CB -0.297 32.177 32.500 -0.044 0.000 0.715 382 K HN 0.288 nan 8.250 nan 0.000 0.439 383 L N 2.035 123.241 121.223 -0.028 0.000 2.265 383 L HA -0.134 4.207 4.340 0.001 0.000 0.215 383 L C 1.762 178.619 176.870 -0.021 0.000 1.117 383 L CA 1.633 56.469 54.840 -0.006 0.000 0.782 383 L CB -0.138 41.923 42.059 0.003 0.000 0.914 383 L HN 0.014 nan 8.230 nan 0.000 0.441 384 K N -0.650 119.727 120.400 -0.038 0.000 1.984 384 K HA -0.099 4.222 4.320 0.001 0.000 0.209 384 K C 1.966 178.508 176.600 -0.097 0.000 1.046 384 K CA 1.772 58.028 56.287 -0.052 0.000 0.934 384 K CB -0.390 32.083 32.500 -0.044 0.000 0.717 384 K HN 0.294 nan 8.250 nan 0.000 0.438 385 L N 1.251 122.412 121.223 -0.105 0.000 2.129 385 L HA -0.240 4.100 4.340 0.001 0.000 0.212 385 L C 2.148 178.857 176.870 -0.268 0.000 1.087 385 L CA 1.359 56.110 54.840 -0.149 0.000 0.757 385 L CB -0.623 41.367 42.059 -0.114 0.000 0.896 385 L HN 0.269 nan 8.230 nan 0.000 0.434 386 E N 0.687 120.726 120.200 -0.268 0.000 2.004 386 E HA -0.106 4.245 4.350 0.001 0.000 0.192 386 E C 1.721 177.763 176.600 -0.931 0.000 0.987 386 E CA 0.699 56.776 56.400 -0.539 0.000 0.822 386 E CB -0.239 29.434 29.700 -0.044 0.000 0.779 386 E HN 0.368 nan 8.360 nan 0.000 0.458 387 L N 0.830 121.925 121.223 -0.213 0.000 2.962 387 L HA -0.026 4.315 4.340 0.001 0.000 0.263 387 L C 1.293 178.098 176.870 -0.109 0.000 1.152 387 L CA -0.107 54.753 54.840 0.033 0.000 0.954 387 L CB -0.390 41.753 42.059 0.140 0.000 1.213 387 L HN 0.199 nan 8.230 nan 0.000 0.422 388 A N -1.503 121.137 122.820 -0.300 0.000 2.242 388 A HA 0.090 4.410 4.320 0.001 0.000 0.205 388 A C 1.994 179.421 177.584 -0.262 0.000 1.353 388 A CA -0.122 51.791 52.037 -0.207 0.000 1.005 388 A CB 0.323 19.224 19.000 -0.166 0.000 1.127 388 A HN 0.352 nan 8.150 nan 0.000 0.498 389 Q N -0.841 118.676 119.800 -0.473 0.000 2.204 389 Q HA 0.114 4.455 4.340 0.001 0.000 0.198 389 Q C 1.414 177.247 176.000 -0.279 0.000 0.946 389 Q CA 1.029 56.594 55.803 -0.396 0.000 0.859 389 Q CB -0.161 28.296 28.738 -0.468 0.000 0.946 389 Q HN 0.759 nan 8.270 nan 0.000 0.474 390 F N 0.671 120.569 119.950 -0.086 0.000 2.171 390 F HA -0.146 4.381 4.527 0.000 0.000 0.300 390 F C 2.423 178.146 175.800 -0.128 0.000 1.090 390 F CA 0.365 58.304 58.000 -0.102 0.000 1.293 390 F CB -0.291 38.666 39.000 -0.072 0.000 1.013 390 F HN 0.081 nan 8.300 nan 0.000 0.486 391 A N 0.418 123.256 122.820 0.029 0.000 1.978 391 A HA -0.222 4.098 4.320 0.001 0.000 0.220 391 A C 2.046 179.572 177.584 -0.097 0.000 1.170 391 A CA 1.838 53.859 52.037 -0.026 0.000 0.636 391 A CB -0.672 18.304 19.000 -0.039 0.000 0.810 391 A HN 0.466 nan 8.150 nan 0.000 0.448 392 E N -0.942 119.174 120.200 -0.140 0.000 2.285 392 E HA 0.014 4.364 4.350 0.001 0.000 0.194 392 E C 1.143 177.489 176.600 -0.423 0.000 0.997 392 E CA 0.811 57.093 56.400 -0.197 0.000 0.845 392 E CB -0.042 29.567 29.700 -0.152 0.000 0.782 392 E HN 0.674 nan 8.360 nan 0.000 0.491 393 L N -0.431 120.489 121.223 -0.505 0.000 2.817 393 L HA 0.146 4.486 4.340 0.001 0.000 0.248 393 L C 1.782 178.246 176.870 -0.678 0.000 1.133 393 L CA -0.084 54.099 54.840 -1.095 0.000 0.935 393 L CB 0.236 41.918 42.059 -0.628 0.000 1.266 393 L HN -0.071 nan 8.230 nan 0.000 0.535 394 E N 1.674 121.713 120.200 -0.268 0.000 2.095 394 E HA -0.343 4.008 4.350 0.001 0.000 0.212 394 E C 2.167 178.777 176.600 0.016 0.000 1.044 394 E CA 1.949 58.304 56.400 -0.076 0.000 0.857 394 E CB -0.140 29.544 29.700 -0.026 0.000 0.764 394 E HN 0.535 nan 8.360 nan 0.000 0.462 395 A N 0.251 123.096 122.820 0.042 0.000 2.234 395 A HA -0.168 4.153 4.320 0.001 0.000 0.216 395 A C 1.610 179.464 177.584 0.450 0.000 1.167 395 A CA 0.991 53.155 52.037 0.211 0.000 0.698 395 A CB -0.526 18.581 19.000 0.179 0.000 0.779 395 A HN 0.178 nan 8.150 nan 0.000 0.475 396 F N -0.297 119.704 119.950 0.085 0.000 2.187 396 F HA 0.105 4.632 4.527 0.001 0.000 0.295 396 F C 2.724 178.608 175.800 0.139 0.000 1.091 396 F CA -0.179 57.887 58.000 0.109 0.000 1.308 396 F CB -1.486 37.555 39.000 0.068 0.000 1.030 396 F HN 0.276 nan 8.300 nan 0.000 0.487 397 A N 0.430 123.422 122.820 0.287 0.000 1.906 397 A HA -0.342 3.978 4.320 0.001 0.000 0.222 397 A C 2.183 179.839 177.584 0.120 0.000 1.282 397 A CA 2.523 54.652 52.037 0.154 0.000 0.675 397 A CB -1.269 17.779 19.000 0.080 0.000 0.838 397 A HN 0.497 nan 8.150 nan 0.000 0.469 398 Q N -2.281 117.605 119.800 0.144 0.000 2.226 398 Q HA -0.100 4.240 4.340 0.001 0.000 0.204 398 Q C 0.285 176.152 176.000 -0.221 0.000 0.975 398 Q CA 1.151 56.937 55.803 -0.029 0.000 0.866 398 Q CB -0.076 28.659 28.738 -0.004 0.000 0.915 398 Q HN 0.753 nan 8.270 nan 0.000 0.440 399 F N -0.686 119.289 119.950 0.041 0.000 2.850 399 F HA 0.361 4.889 4.527 0.000 0.000 0.306 399 F C 0.084 175.883 175.800 -0.001 0.000 1.162 399 F CA -0.624 57.381 58.000 0.009 0.000 1.327 399 F CB 0.565 39.559 39.000 -0.010 0.000 0.953 399 F HN -0.182 nan 8.300 nan 0.000 0.507 400 A N -0.168 122.726 122.820 0.123 0.000 2.807 400 A HA 0.419 4.739 4.320 0.001 0.000 0.307 400 A C 1.199 178.807 177.584 0.040 0.000 1.532 400 A CA -0.009 52.083 52.037 0.090 0.000 1.215 400 A CB -0.186 18.874 19.000 0.099 0.000 1.127 400 A HN 0.291 nan 8.150 nan 0.000 0.543 401 S N 0.613 116.333 115.700 0.032 0.000 2.436 401 S HA -0.006 4.464 4.470 0.001 0.000 0.228 401 S C 0.354 174.960 174.600 0.010 0.000 1.014 401 S CA 1.238 59.446 58.200 0.013 0.000 0.950 401 S CB 0.017 63.225 63.200 0.013 0.000 0.784 401 S HN 0.818 nan 8.310 nan 0.000 0.504 402 D N 0.101 120.510 120.400 0.014 0.000 3.443 402 D HA 0.254 4.894 4.640 0.001 0.000 0.243 402 D C -0.824 175.488 176.300 0.020 0.000 1.446 402 D CA -0.045 53.963 54.000 0.013 0.000 0.880 402 D CB -0.068 40.735 40.800 0.006 0.000 1.470 402 D HN 0.055 nan 8.370 nan 0.000 0.658 403 L N 0.720 121.965 121.223 0.036 0.000 2.469 403 L HA 0.483 4.824 4.340 0.001 0.000 0.253 403 L C 0.581 177.477 176.870 0.044 0.000 1.143 403 L CA -0.834 54.038 54.840 0.053 0.000 0.804 403 L CB 0.673 42.787 42.059 0.092 0.000 1.214 403 L HN 0.309 nan 8.230 nan 0.000 0.476 404 D N -1.342 119.088 120.400 0.050 0.000 2.312 404 D HA 0.158 4.799 4.640 0.001 0.000 0.248 404 D C 0.322 176.646 176.300 0.039 0.000 1.086 404 D CA -0.682 53.341 54.000 0.038 0.000 0.948 404 D CB 1.067 41.889 40.800 0.038 0.000 1.162 404 D HN 0.294 nan 8.370 nan 0.000 0.446 405 K N 0.522 120.938 120.400 0.027 0.000 2.147 405 K HA -0.136 4.185 4.320 0.001 0.000 0.205 405 K C 1.969 178.586 176.600 0.028 0.000 1.049 405 K CA 1.103 57.404 56.287 0.023 0.000 0.936 405 K CB -0.261 32.247 32.500 0.014 0.000 0.722 405 K HN 0.574 nan 8.250 nan 0.000 0.446 406 A N 0.573 123.411 122.820 0.031 0.000 2.131 406 A HA -0.135 4.185 4.320 0.001 0.000 0.220 406 A C 1.913 179.525 177.584 0.047 0.000 1.158 406 A CA 1.779 53.836 52.037 0.033 0.000 0.665 406 A CB -0.382 18.635 19.000 0.028 0.000 0.795 406 A HN 0.222 nan 8.150 nan 0.000 0.460 407 T N -1.253 113.336 114.554 0.058 0.000 3.056 407 T HA -0.005 4.346 4.350 0.001 0.000 0.241 407 T C 1.979 176.721 174.700 0.069 0.000 1.006 407 T CA 0.695 62.841 62.100 0.077 0.000 1.115 407 T CB -0.071 68.861 68.868 0.106 0.000 0.939 407 T HN 0.549 nan 8.240 nan 0.000 0.462 408 Q N 1.610 121.441 119.800 0.051 0.000 2.077 408 Q HA -0.154 4.186 4.340 0.001 0.000 0.206 408 Q C 2.096 178.104 176.000 0.014 0.000 0.989 408 Q CA 1.219 57.039 55.803 0.028 0.000 0.853 408 Q CB -0.325 28.424 28.738 0.018 0.000 0.907 408 Q HN 0.436 nan 8.270 nan 0.000 0.418 409 N N 0.825 119.541 118.700 0.025 0.000 2.184 409 N HA -0.211 4.529 4.740 0.001 0.000 0.190 409 N C 1.688 177.228 175.510 0.050 0.000 1.011 409 N CA 1.459 54.525 53.050 0.027 0.000 0.867 409 N CB -0.159 38.352 38.487 0.040 0.000 0.993 409 N HN 0.459 nan 8.380 nan 0.000 0.433 410 Q N 0.083 119.946 119.800 0.104 0.000 2.123 410 Q HA 0.134 4.475 4.340 0.001 0.000 0.196 410 Q C 1.665 177.619 176.000 -0.076 0.000 0.958 410 Q CA 0.498 56.443 55.803 0.235 0.000 0.841 410 Q CB 0.085 29.035 28.738 0.353 0.000 0.915 410 Q HN 0.330 nan 8.270 nan 0.000 0.455 411 L N 0.213 121.410 121.223 -0.044 0.000 2.645 411 L HA 0.099 4.439 4.340 0.001 0.000 0.235 411 L C 1.471 178.252 176.870 -0.148 0.000 1.150 411 L CA -0.076 54.703 54.840 -0.102 0.000 0.911 411 L CB -0.191 41.861 42.059 -0.012 0.000 1.077 411 L HN 0.174 nan 8.230 nan 0.000 0.438 412 A N 0.017 122.733 122.820 -0.175 0.000 2.042 412 A HA 0.106 4.426 4.320 0.001 0.000 0.207 412 A C 2.097 179.537 177.584 -0.241 0.000 1.598 412 A CA -0.135 51.807 52.037 -0.158 0.000 0.818 412 A CB -0.007 18.937 19.000 -0.093 0.000 1.169 412 A HN 0.194 nan 8.150 nan 0.000 0.548 413 R N 0.629 120.970 120.500 -0.264 0.000 2.357 413 R HA -0.027 4.314 4.340 0.001 0.000 0.202 413 R C 1.821 177.695 176.300 -0.709 0.000 1.047 413 R CA 0.589 56.507 56.100 -0.304 0.000 1.034 413 R CB -0.260 29.989 30.300 -0.086 0.000 0.875 413 R HN 0.538 nan 8.270 nan 0.000 0.473 414 G N 1.064 109.273 108.800 -0.985 0.000 2.662 414 G HA2 -0.250 3.710 3.960 0.001 0.000 0.215 414 G HA3 -0.250 3.710 3.960 0.001 0.000 0.215 414 G C 0.948 175.541 174.900 -0.512 0.000 1.310 414 G CA -0.044 44.330 45.100 -1.211 0.000 0.849 414 G HN 0.255 nan 8.290 nan 0.000 0.568 415 Q N 0.143 119.752 119.800 -0.317 0.000 2.591 415 Q HA 0.069 4.409 4.340 0.001 0.000 0.219 415 Q C 2.478 178.381 176.000 -0.163 0.000 0.981 415 Q CA 0.187 55.881 55.803 -0.181 0.000 0.945 415 Q CB 0.065 28.724 28.738 -0.132 0.000 0.985 415 Q HN 0.410 nan 8.270 nan 0.000 0.542 416 R N -0.166 120.215 120.500 -0.199 0.000 2.046 416 R HA 0.009 4.350 4.340 0.001 0.000 0.223 416 R C 2.069 178.299 176.300 -0.117 0.000 1.179 416 R CA 0.796 56.800 56.100 -0.161 0.000 0.952 416 R CB -0.267 29.935 30.300 -0.164 0.000 0.843 416 R HN 0.184 nan 8.270 nan 0.000 0.439 417 L N 0.834 121.998 121.223 -0.098 0.000 2.129 417 L HA -0.223 4.117 4.340 0.001 0.000 0.212 417 L C 2.572 179.426 176.870 -0.027 0.000 1.087 417 L CA 1.439 56.257 54.840 -0.038 0.000 0.757 417 L CB -0.516 41.553 42.059 0.018 0.000 0.896 417 L HN 0.187 nan 8.230 nan 0.000 0.434 418 R N 0.338 120.814 120.500 -0.041 0.000 2.083 418 R HA -0.184 4.156 4.340 0.001 0.000 0.237 418 R C 2.106 178.393 176.300 -0.022 0.000 1.137 418 R CA 1.740 57.827 56.100 -0.021 0.000 0.951 418 R CB -0.390 29.890 30.300 -0.033 0.000 0.851 418 R HN 0.504 nan 8.270 nan 0.000 0.434 419 E N 0.608 120.782 120.200 -0.044 0.000 2.338 419 E HA -0.125 4.226 4.350 0.001 0.000 0.197 419 E C 1.889 178.471 176.600 -0.030 0.000 1.007 419 E CA 0.669 57.045 56.400 -0.040 0.000 0.849 419 E CB 0.000 29.659 29.700 -0.068 0.000 0.774 419 E HN 0.388 nan 8.360 nan 0.000 0.506 420 L N 0.116 121.322 121.223 -0.028 0.000 2.127 420 L HA -0.059 4.282 4.340 0.001 0.000 0.203 420 L C 2.273 179.144 176.870 0.001 0.000 1.080 420 L CA 0.624 55.457 54.840 -0.013 0.000 0.768 420 L CB -0.396 41.657 42.059 -0.010 0.000 0.924 420 L HN 0.125 nan 8.230 nan 0.000 0.444 421 L N 0.134 121.359 121.223 0.004 0.000 2.456 421 L HA -0.072 4.268 4.340 0.001 0.000 0.224 421 L C 0.795 177.675 176.870 0.017 0.000 1.148 421 L CA 0.704 55.552 54.840 0.014 0.000 0.825 421 L CB -0.444 41.627 42.059 0.020 0.000 0.937 421 L HN 0.212 nan 8.230 nan 0.000 0.450 422 K N 0.941 121.347 120.400 0.011 0.000 2.237 422 K HA 0.361 4.681 4.320 0.001 0.000 0.270 422 K C -0.460 176.147 176.600 0.012 0.000 1.015 422 K CA -0.042 56.255 56.287 0.016 0.000 0.949 422 K CB 0.816 33.322 32.500 0.011 0.000 0.976 422 K HN 0.056 nan 8.250 nan 0.000 0.472 423 Q N 1.767 121.575 119.800 0.014 0.000 2.309 423 Q HA 0.290 4.630 4.340 0.001 0.000 0.273 423 Q C -2.641 173.360 176.000 0.003 0.000 1.040 423 Q CA -2.053 53.754 55.803 0.008 0.000 0.834 423 Q CB 2.588 31.332 28.738 0.008 0.000 1.345 423 Q HN 0.414 nan 8.270 nan 0.000 0.414 424 P HA 0.034 nan 4.420 nan 0.000 0.280 424 P C -0.812 176.481 177.300 -0.012 0.000 1.244 424 P CA -0.230 62.865 63.100 -0.008 0.000 0.784 424 P CB 0.940 32.635 31.700 -0.009 0.000 0.913 425 Q N 1.487 121.278 119.800 -0.015 0.000 2.540 425 Q HA 0.064 4.405 4.340 0.001 0.000 0.256 425 Q C 1.054 177.040 176.000 -0.024 0.000 1.084 425 Q CA 0.943 56.736 55.803 -0.017 0.000 0.956 425 Q CB -0.000 28.728 28.738 -0.017 0.000 1.303 425 Q HN 0.777 nan 8.270 nan 0.000 0.509 426 S N -1.797 113.883 115.700 -0.034 0.000 2.929 426 S HA -0.239 4.231 4.470 0.001 0.000 0.271 426 S C -0.198 174.369 174.600 -0.055 0.000 1.295 426 S CA 0.832 59.000 58.200 -0.054 0.000 1.277 426 S CB -1.605 61.568 63.200 -0.044 0.000 1.557 426 S HN 1.056 nan 8.310 nan 0.000 0.666 427 A N 2.170 124.966 122.820 -0.039 0.000 2.508 427 A HA 0.706 5.026 4.320 0.001 0.000 0.336 427 A C -2.120 175.447 177.584 -0.028 0.000 1.360 427 A CA -1.078 50.939 52.037 -0.033 0.000 0.841 427 A CB 0.829 19.815 19.000 -0.024 0.000 1.136 427 A HN 0.468 nan 8.150 nan 0.000 0.489 428 P HA 0.438 nan 4.420 nan 0.000 0.293 428 P C -0.647 176.643 177.300 -0.016 0.000 1.300 428 P CA -0.195 62.889 63.100 -0.026 0.000 0.792 428 P CB 1.338 33.016 31.700 -0.037 0.000 0.925 429 L N 2.528 123.747 121.223 -0.006 0.000 2.350 429 L HA 0.311 4.652 4.340 0.001 0.000 0.275 429 L C 1.357 178.229 176.870 0.004 0.000 1.099 429 L CA -0.463 54.378 54.840 0.001 0.000 0.808 429 L CB 0.625 42.690 42.059 0.010 0.000 1.149 429 L HN 0.353 nan 8.230 nan 0.000 0.442 430 T N 0.738 115.296 114.554 0.007 0.000 2.640 430 T HA 0.012 4.362 4.350 0.001 0.000 0.316 430 T C 1.487 176.201 174.700 0.023 0.000 1.036 430 T CA -0.662 61.444 62.100 0.009 0.000 1.009 430 T CB 0.927 69.800 68.868 0.009 0.000 1.017 430 T HN 0.375 nan 8.240 nan 0.000 0.530 431 V N 0.533 120.463 119.914 0.027 0.000 2.407 431 V HA -0.100 4.020 4.120 0.001 0.000 0.245 431 V C 2.396 178.533 176.094 0.071 0.000 1.041 431 V CA 1.555 63.882 62.300 0.045 0.000 1.040 431 V CB -0.974 30.875 31.823 0.044 0.000 0.671 431 V HN 0.772 nan 8.190 nan 0.000 0.455 432 E N 0.932 121.168 120.200 0.060 0.000 2.021 432 E HA -0.278 4.073 4.350 0.001 0.000 0.200 432 E C 2.152 178.808 176.600 0.094 0.000 1.015 432 E CA 1.813 58.259 56.400 0.076 0.000 0.824 432 E CB -0.369 29.348 29.700 0.028 0.000 0.762 432 E HN 0.688 nan 8.360 nan 0.000 0.454 433 E N 0.854 121.089 120.200 0.058 0.000 2.233 433 E HA -0.285 4.065 4.350 0.001 0.000 0.199 433 E C 2.163 178.800 176.600 0.062 0.000 1.004 433 E CA 1.164 57.595 56.400 0.052 0.000 0.819 433 E CB -0.171 29.547 29.700 0.030 0.000 0.738 433 E HN 0.345 nan 8.360 nan 0.000 0.478 434 Q N 0.116 119.955 119.800 0.065 0.000 2.049 434 Q HA -0.098 4.242 4.340 0.001 0.000 0.198 434 Q C 2.398 178.444 176.000 0.077 0.000 0.971 434 Q CA 1.393 57.232 55.803 0.060 0.000 0.833 434 Q CB 0.229 28.997 28.738 0.049 0.000 0.896 434 Q HN 0.179 nan 8.270 nan 0.000 0.434 435 V N 0.353 120.342 119.914 0.124 0.000 2.407 435 V HA -0.217 3.903 4.120 0.001 0.000 0.245 435 V C 2.153 178.326 176.094 0.133 0.000 1.041 435 V CA 1.450 63.826 62.300 0.126 0.000 1.040 435 V CB -0.599 31.383 31.823 0.266 0.000 0.671 435 V HN 0.363 nan 8.190 nan 0.000 0.455 436 M N 0.362 120.107 119.600 0.242 0.000 2.080 436 M HA -0.187 4.293 4.480 0.001 0.000 0.260 436 M C 2.344 178.717 176.300 0.122 0.000 1.068 436 M CA 2.315 57.732 55.300 0.194 0.000 1.109 436 M CB -0.967 31.716 32.600 0.139 0.000 1.342 436 M HN 0.358 nan 8.290 nan 0.000 0.405 437 T N 1.314 115.923 114.554 0.092 0.000 2.708 437 T HA -0.086 4.264 4.350 0.001 0.000 0.266 437 T C 1.826 176.562 174.700 0.060 0.000 1.037 437 T CA 1.253 63.394 62.100 0.067 0.000 1.146 437 T CB -0.200 68.698 68.868 0.051 0.000 0.865 437 T HN 0.197 nan 8.240 nan 0.000 0.435 438 I N 0.573 121.173 120.570 0.050 0.000 2.208 438 I HA -0.169 4.001 4.170 0.001 0.000 0.245 438 I C 2.168 178.296 176.117 0.018 0.000 1.097 438 I CA 1.438 62.752 61.300 0.023 0.000 1.363 438 I CB -1.438 36.565 38.000 0.005 0.000 1.051 438 I HN 0.276 nan 8.210 nan 0.000 0.413 439 Y N 2.320 122.557 120.300 -0.105 0.000 2.114 439 Y HA -0.330 4.220 4.550 0.000 0.000 0.282 439 Y C 2.753 178.583 175.900 -0.117 0.000 1.165 439 Y CA 2.519 60.536 58.100 -0.139 0.000 1.148 439 Y CB -0.670 37.668 38.460 -0.203 0.000 0.972 439 Y HN 0.129 nan 8.280 nan 0.000 0.504 440 T N -0.263 114.330 114.554 0.065 0.000 2.529 440 T HA -0.240 4.111 4.350 0.001 0.000 0.261 440 T C 1.977 176.712 174.700 0.059 0.000 1.110 440 T CA 2.108 64.172 62.100 -0.059 0.000 1.192 440 T CB -1.275 67.597 68.868 0.007 0.000 0.864 440 T HN 0.590 nan 8.240 nan 0.000 0.407 441 G N 0.629 109.451 108.800 0.037 0.000 2.433 441 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 441 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 441 G C 1.741 176.650 174.900 0.015 0.000 1.186 441 G CA 1.526 46.642 45.100 0.026 0.000 0.779 441 G HN 0.492 nan 8.290 nan 0.000 0.543 442 T N 1.253 115.795 114.554 -0.020 0.000 2.822 442 T HA -0.113 4.238 4.350 0.001 0.000 0.270 442 T C 1.752 176.413 174.700 -0.066 0.000 1.064 442 T CA 1.194 63.270 62.100 -0.041 0.000 1.131 442 T CB -0.163 68.660 68.868 -0.074 0.000 0.858 442 T HN 0.242 nan 8.240 nan 0.000 0.483 443 N N 0.108 118.764 118.700 -0.074 0.000 2.251 443 N HA 0.228 4.969 4.740 0.001 0.000 0.217 443 N C 1.244 176.753 175.510 -0.002 0.000 1.124 443 N CA 0.575 53.589 53.050 -0.060 0.000 0.843 443 N CB 0.818 39.197 38.487 -0.179 0.000 1.024 443 N HN 0.511 nan 8.380 nan 0.000 0.501 444 G N 0.423 109.231 108.800 0.015 0.000 2.141 444 G HA2 -0.332 3.628 3.960 0.001 0.000 0.242 444 G HA3 -0.332 3.628 3.960 0.001 0.000 0.242 444 G C 0.553 175.398 174.900 -0.092 0.000 0.982 444 G CA 0.230 45.291 45.100 -0.065 0.000 0.662 444 G HN 0.352 nan 8.290 nan 0.000 0.527 445 Y N -0.022 120.260 120.300 -0.030 0.000 2.176 445 Y HA 0.307 4.857 4.550 0.000 0.000 0.291 445 Y C 2.790 178.687 175.900 -0.006 0.000 1.122 445 Y CA 1.435 59.543 58.100 0.014 0.000 1.128 445 Y CB -0.385 38.113 38.460 0.062 0.000 1.005 445 Y HN 0.265 nan 8.280 nan 0.000 0.509 446 L N 0.043 121.344 121.223 0.129 0.000 2.610 446 L HA -0.078 4.262 4.340 0.001 0.000 0.232 446 L C 1.105 177.925 176.870 -0.083 0.000 1.149 446 L CA 0.164 54.983 54.840 -0.035 0.000 0.872 446 L CB -0.531 41.467 42.059 -0.103 0.000 0.992 446 L HN 0.196 nan 8.230 nan 0.000 0.447 447 D N 0.858 121.233 120.400 -0.042 0.000 2.349 447 D HA -0.239 4.401 4.640 0.001 0.000 0.215 447 D C 1.929 178.184 176.300 -0.075 0.000 1.075 447 D CA 2.077 56.038 54.000 -0.064 0.000 0.934 447 D CB -0.182 40.585 40.800 -0.054 0.000 1.234 447 D HN 0.257 nan 8.370 nan 0.000 0.492 448 S N -0.039 115.629 115.700 -0.053 0.000 2.889 448 S HA 0.004 4.474 4.470 0.001 0.000 0.235 448 S C 0.642 175.213 174.600 -0.049 0.000 0.978 448 S CA 0.012 58.185 58.200 -0.044 0.000 1.010 448 S CB -1.086 62.100 63.200 -0.024 0.000 0.799 448 S HN 0.151 nan 8.310 nan 0.000 0.534 449 L N 0.338 121.505 121.223 -0.093 0.000 2.376 449 L HA 0.520 4.860 4.340 0.001 0.000 0.267 449 L C 0.406 177.186 176.870 -0.150 0.000 1.035 449 L CA -0.988 53.771 54.840 -0.135 0.000 0.800 449 L CB 0.689 42.575 42.059 -0.288 0.000 1.290 449 L HN 0.128 nan 8.230 nan 0.000 0.462 450 E N 0.678 120.789 120.200 -0.148 0.000 2.146 450 E HA 0.194 4.544 4.350 0.001 0.000 0.282 450 E C 0.666 177.172 176.600 -0.156 0.000 0.989 450 E CA -0.307 56.025 56.400 -0.113 0.000 0.799 450 E CB 1.550 31.221 29.700 -0.048 0.000 1.088 450 E HN 0.468 nan 8.360 nan 0.000 0.397 451 L N 2.476 123.618 121.223 -0.134 0.000 1.997 451 L HA -0.256 4.084 4.340 0.001 0.000 0.216 451 L C 1.090 177.901 176.870 -0.098 0.000 1.074 451 L CA 1.258 56.020 54.840 -0.130 0.000 0.763 451 L CB -0.386 41.614 42.059 -0.099 0.000 0.890 451 L HN 0.555 nan 8.230 nan 0.000 0.434 452 D N 0.252 120.616 120.400 -0.060 0.000 2.636 452 D HA -0.081 4.560 4.640 0.001 0.000 0.256 452 D C 1.182 177.477 176.300 -0.009 0.000 1.280 452 D CA 0.530 54.512 54.000 -0.029 0.000 0.910 452 D CB 0.208 40.999 40.800 -0.014 0.000 1.045 452 D HN 0.634 nan 8.370 nan 0.000 0.472 453 Q N -1.245 118.536 119.800 -0.032 0.000 2.353 453 Q HA 0.003 4.344 4.340 0.001 0.000 0.226 453 Q C 2.058 178.083 176.000 0.042 0.000 0.741 453 Q CA -0.073 55.764 55.803 0.056 0.000 0.934 453 Q CB 0.445 29.260 28.738 0.128 0.000 1.292 453 Q HN 0.023 nan 8.270 nan 0.000 0.481 454 V N 2.219 121.966 119.914 -0.278 0.000 2.428 454 V HA -0.364 3.757 4.120 0.001 0.000 0.255 454 V C 2.152 178.211 176.094 -0.059 0.000 1.080 454 V CA 2.332 64.384 62.300 -0.412 0.000 1.083 454 V CB -0.682 30.921 31.823 -0.366 0.000 0.665 454 V HN 0.276 nan 8.190 nan 0.000 0.461 455 R N 0.315 120.810 120.500 -0.009 0.000 2.115 455 R HA -0.232 4.108 4.340 0.001 0.000 0.239 455 R C 2.374 178.714 176.300 0.067 0.000 1.133 455 R CA 2.084 58.197 56.100 0.022 0.000 0.935 455 R CB -0.431 29.879 30.300 0.016 0.000 0.853 455 R HN 0.524 nan 8.270 nan 0.000 0.433 456 K N -0.625 119.837 120.400 0.103 0.000 2.280 456 K HA -0.150 4.170 4.320 0.001 0.000 0.202 456 K C 1.863 178.535 176.600 0.120 0.000 1.047 456 K CA 1.174 57.519 56.287 0.096 0.000 0.942 456 K CB -0.161 32.393 32.500 0.090 0.000 0.739 456 K HN 0.189 nan 8.250 nan 0.000 0.457 457 Y N 1.458 121.663 120.300 -0.159 0.000 2.070 457 Y HA -0.217 4.333 4.550 0.000 0.000 0.280 457 Y C 2.115 178.037 175.900 0.036 0.000 1.148 457 Y CA 1.244 59.154 58.100 -0.317 0.000 1.125 457 Y CB -0.628 37.479 38.460 -0.588 0.000 0.975 457 Y HN -0.076 nan 8.280 nan 0.000 0.492 458 L N -1.329 119.988 121.223 0.157 0.000 1.994 458 L HA -0.227 4.113 4.340 0.001 0.000 0.208 458 L C 2.341 179.248 176.870 0.061 0.000 1.071 458 L CA 1.150 56.052 54.840 0.103 0.000 0.745 458 L CB -1.230 40.862 42.059 0.056 0.000 0.892 458 L HN 0.051 nan 8.230 nan 0.000 0.431 459 V N 0.090 120.025 119.914 0.036 0.000 2.250 459 V HA -0.343 3.778 4.120 0.001 0.000 0.250 459 V C 2.491 178.531 176.094 -0.089 0.000 1.060 459 V CA 2.155 64.446 62.300 -0.016 0.000 1.030 459 V CB -0.592 31.224 31.823 -0.012 0.000 0.643 459 V HN 0.468 nan 8.190 nan 0.000 0.445 460 E N -0.270 119.877 120.200 -0.089 0.000 2.028 460 E HA -0.167 4.184 4.350 0.001 0.000 0.191 460 E C 2.275 178.561 176.600 -0.524 0.000 0.988 460 E CA 1.332 57.502 56.400 -0.385 0.000 0.799 460 E CB -0.219 29.394 29.700 -0.145 0.000 0.755 460 E HN 0.505 nan 8.360 nan 0.000 0.447 461 L N 0.550 121.790 121.223 0.028 0.000 2.042 461 L HA -0.218 4.122 4.340 0.001 0.000 0.210 461 L C 2.625 179.548 176.870 0.087 0.000 1.076 461 L CA 1.239 56.201 54.840 0.204 0.000 0.749 461 L CB -0.437 41.788 42.059 0.278 0.000 0.893 461 L HN 0.069 nan 8.230 nan 0.000 0.432 462 R N -0.412 120.101 120.500 0.021 0.000 2.103 462 R HA -0.166 4.174 4.340 0.001 0.000 0.234 462 R C 2.310 178.607 176.300 -0.005 0.000 1.132 462 R CA 2.227 58.334 56.100 0.011 0.000 0.925 462 R CB -0.952 29.348 30.300 -0.000 0.000 0.842 462 R HN 0.270 nan 8.270 nan 0.000 0.430 463 T N 0.349 114.861 114.554 -0.070 0.000 2.737 463 T HA -0.195 4.156 4.350 0.001 0.000 0.269 463 T C 1.601 176.317 174.700 0.028 0.000 1.040 463 T CA 1.410 63.473 62.100 -0.061 0.000 1.142 463 T CB -0.379 68.403 68.868 -0.143 0.000 0.861 463 T HN 0.347 nan 8.240 nan 0.000 0.456 464 Y N 0.602 120.893 120.300 -0.015 0.000 2.181 464 Y HA -0.160 4.390 4.550 0.001 0.000 0.288 464 Y C 2.630 178.505 175.900 -0.043 0.000 1.146 464 Y CA 0.337 58.415 58.100 -0.037 0.000 1.164 464 Y CB -0.179 38.250 38.460 -0.052 0.000 0.982 464 Y HN 0.065 nan 8.280 nan 0.000 0.515 465 V N -0.235 119.750 119.914 0.119 0.000 2.591 465 V HA -0.209 3.912 4.120 0.001 0.000 0.249 465 V C 1.742 177.858 176.094 0.037 0.000 1.053 465 V CA 1.504 63.821 62.300 0.028 0.000 1.068 465 V CB -0.410 31.409 31.823 -0.007 0.000 0.689 465 V HN 0.311 nan 8.190 nan 0.000 0.462 466 K N 0.191 120.616 120.400 0.043 0.000 2.148 466 K HA -0.086 4.235 4.320 0.001 0.000 0.204 466 K C 2.141 178.766 176.600 0.042 0.000 1.050 466 K CA 1.747 58.055 56.287 0.035 0.000 0.942 466 K CB -0.284 32.228 32.500 0.021 0.000 0.724 466 K HN 0.470 nan 8.250 nan 0.000 0.446 467 T N 1.073 115.659 114.554 0.054 0.000 2.815 467 T HA -0.009 4.341 4.350 0.001 0.000 0.244 467 T C 1.487 176.217 174.700 0.050 0.000 1.040 467 T CA 0.899 63.031 62.100 0.052 0.000 1.176 467 T CB -0.156 68.753 68.868 0.069 0.000 0.880 467 T HN 0.163 nan 8.240 nan 0.000 0.414 468 N N 1.446 120.176 118.700 0.050 0.000 2.354 468 N HA 0.018 4.758 4.740 0.001 0.000 0.179 468 N C 1.007 176.558 175.510 0.068 0.000 1.021 468 N CA 0.786 53.858 53.050 0.037 0.000 0.887 468 N CB 0.093 38.579 38.487 -0.002 0.000 0.974 468 N HN 0.371 nan 8.380 nan 0.000 0.437 469 K N 0.550 120.990 120.400 0.067 0.000 2.758 469 K HA 0.195 4.516 4.320 0.001 0.000 0.208 469 K C -1.839 174.896 176.600 0.226 0.000 1.091 469 K CA -0.883 55.498 56.287 0.156 0.000 1.059 469 K CB 1.161 33.569 32.500 -0.153 0.000 0.801 469 K HN 0.059 nan 8.250 nan 0.000 0.470 470 P HA -0.120 nan 4.420 nan 0.000 0.236 470 P C 0.394 177.750 177.300 0.094 0.000 1.172 470 P CA 0.916 64.073 63.100 0.094 0.000 0.759 470 P CB 0.309 32.040 31.700 0.052 0.000 0.843 471 E N -0.939 119.345 120.200 0.140 0.000 2.158 471 E HA -0.081 4.269 4.350 0.001 0.000 0.191 471 E C 1.460 178.015 176.600 -0.075 0.000 0.982 471 E CA 0.941 57.335 56.400 -0.010 0.000 0.823 471 E CB -0.343 29.289 29.700 -0.114 0.000 0.766 471 E HN 0.293 nan 8.360 nan 0.000 0.468 472 F N 1.324 121.233 119.950 -0.068 0.000 2.270 472 F HA -0.031 4.497 4.527 0.001 0.000 0.295 472 F C 2.324 178.046 175.800 -0.130 0.000 1.087 472 F CA 0.646 58.585 58.000 -0.102 0.000 1.365 472 F CB -0.484 38.455 39.000 -0.101 0.000 1.056 472 F HN -0.085 nan 8.300 nan 0.000 0.506 473 Q N 0.595 120.465 119.800 0.117 0.000 2.096 473 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 473 Q C 1.753 177.736 176.000 -0.029 0.000 0.982 473 Q CA 1.898 57.711 55.803 0.016 0.000 0.850 473 Q CB -0.494 28.262 28.738 0.030 0.000 0.901 473 Q HN 0.558 nan 8.270 nan 0.000 0.422 474 E N 0.102 120.288 120.200 -0.024 0.000 2.358 474 E HA -0.079 4.271 4.350 0.001 0.000 0.195 474 E C 1.815 178.372 176.600 -0.072 0.000 1.010 474 E CA 0.244 56.617 56.400 -0.044 0.000 0.856 474 E CB 0.168 29.845 29.700 -0.038 0.000 0.795 474 E HN 0.306 nan 8.360 nan 0.000 0.504 475 I N 1.195 121.708 120.570 -0.095 0.000 2.286 475 I HA -0.191 3.980 4.170 0.001 0.000 0.245 475 I C 2.237 178.262 176.117 -0.154 0.000 1.104 475 I CA 0.779 62.004 61.300 -0.124 0.000 1.397 475 I CB -0.636 37.273 38.000 -0.152 0.000 1.072 475 I HN 0.122 nan 8.210 nan 0.000 0.417 476 I N 1.296 121.741 120.570 -0.209 0.000 2.076 476 I HA -0.305 3.866 4.170 0.001 0.000 0.237 476 I C 2.875 178.889 176.117 -0.172 0.000 1.059 476 I CA 1.991 63.092 61.300 -0.332 0.000 1.317 476 I CB -1.656 36.102 38.000 -0.403 0.000 1.037 476 I HN 0.268 nan 8.210 nan 0.000 0.398 477 S N 1.588 117.231 115.700 -0.096 0.000 2.354 477 S HA -0.223 4.248 4.470 0.001 0.000 0.219 477 S C 2.239 176.820 174.600 -0.033 0.000 1.035 477 S CA 2.059 60.236 58.200 -0.040 0.000 1.037 477 S CB -1.268 61.916 63.200 -0.027 0.000 0.956 477 S HN 0.594 nan 8.310 nan 0.000 0.428 478 S N 2.299 117.974 115.700 -0.042 0.000 2.369 478 S HA -0.212 4.258 4.470 0.001 0.000 0.225 478 S C 1.989 176.572 174.600 -0.029 0.000 1.043 478 S CA 1.988 60.168 58.200 -0.034 0.000 1.074 478 S CB -2.021 61.155 63.200 -0.041 0.000 0.962 478 S HN 0.624 nan 8.310 nan 0.000 0.433 479 T N 1.763 116.291 114.554 -0.044 0.000 2.929 479 T HA 0.013 4.363 4.350 0.001 0.000 0.271 479 T C 0.852 175.547 174.700 -0.008 0.000 1.085 479 T CA 1.356 63.436 62.100 -0.032 0.000 1.125 479 T CB -0.571 68.266 68.868 -0.052 0.000 0.874 479 T HN 0.631 nan 8.240 nan 0.000 0.494 480 K N -0.148 120.246 120.400 -0.009 0.000 3.529 480 K HA -0.147 4.174 4.320 0.001 0.000 0.313 480 K C -0.305 176.340 176.600 0.075 0.000 1.316 480 K CA 1.052 57.355 56.287 0.028 0.000 0.988 480 K CB -1.774 30.745 32.500 0.031 0.000 1.252 480 K HN 0.403 nan 8.250 nan 0.000 0.438 481 T N -0.603 113.992 114.554 0.067 0.000 2.840 481 T HA 0.472 4.822 4.350 0.001 0.000 0.317 481 T C -1.138 173.650 174.700 0.146 0.000 1.401 481 T CA -0.771 61.434 62.100 0.175 0.000 1.028 481 T CB 0.832 69.782 68.868 0.136 0.000 1.317 481 T HN 0.026 nan 8.240 nan 0.000 0.495 482 F N 2.793 122.764 119.950 0.034 0.000 2.434 482 F HA 0.326 4.853 4.527 0.000 0.000 0.358 482 F C 1.522 177.346 175.800 0.040 0.000 1.136 482 F CA -0.460 57.559 58.000 0.032 0.000 1.157 482 F CB -0.095 38.931 39.000 0.044 0.000 1.167 482 F HN 0.394 nan 8.300 nan 0.000 0.539 483 T N 2.842 117.459 114.554 0.105 0.000 2.813 483 T HA 0.018 4.369 4.350 0.001 0.000 0.297 483 T C 1.433 176.199 174.700 0.111 0.000 1.036 483 T CA -0.550 61.601 62.100 0.085 0.000 1.044 483 T CB 0.641 69.525 68.868 0.028 0.000 0.993 483 T HN 0.601 nan 8.240 nan 0.000 0.535 484 E N 0.706 120.962 120.200 0.093 0.000 2.331 484 E HA -0.181 4.170 4.350 0.001 0.000 0.199 484 E C 1.597 178.253 176.600 0.093 0.000 1.008 484 E CA 1.062 57.521 56.400 0.098 0.000 0.843 484 E CB 0.071 29.816 29.700 0.074 0.000 0.761 484 E HN 0.683 nan 8.360 nan 0.000 0.507 485 E N 1.167 121.410 120.200 0.072 0.000 2.011 485 E HA -0.046 4.304 4.350 0.001 0.000 0.191 485 E C 2.227 178.880 176.600 0.089 0.000 0.980 485 E CA 0.655 57.094 56.400 0.065 0.000 0.814 485 E CB -0.181 29.538 29.700 0.031 0.000 0.775 485 E HN 0.212 nan 8.360 nan 0.000 0.454 486 A N 1.416 124.279 122.820 0.072 0.000 2.042 486 A HA -0.307 4.014 4.320 0.001 0.000 0.222 486 A C 1.852 179.489 177.584 0.088 0.000 1.167 486 A CA 1.831 53.922 52.037 0.089 0.000 0.649 486 A CB -0.626 18.360 19.000 -0.024 0.000 0.809 486 A HN 0.233 nan 8.150 nan 0.000 0.457 487 E N -0.379 119.899 120.200 0.131 0.000 2.006 487 E HA -0.067 4.283 4.350 0.001 0.000 0.192 487 E C 2.449 179.141 176.600 0.153 0.000 0.993 487 E CA 1.017 57.516 56.400 0.164 0.000 0.808 487 E CB -0.357 29.491 29.700 0.247 0.000 0.764 487 E HN 0.594 nan 8.360 nan 0.000 0.449 488 A N 1.196 124.107 122.820 0.151 0.000 1.917 488 A HA -0.187 4.133 4.320 0.001 0.000 0.219 488 A C 2.180 179.836 177.584 0.120 0.000 1.182 488 A CA 1.295 53.416 52.037 0.141 0.000 0.633 488 A CB -0.777 18.291 19.000 0.113 0.000 0.819 488 A HN 0.169 nan 8.150 nan 0.000 0.448 489 L N -1.016 120.277 121.223 0.118 0.000 2.465 489 L HA -0.020 4.320 4.340 0.001 0.000 0.224 489 L C 2.330 179.193 176.870 -0.012 0.000 1.145 489 L CA 0.387 55.306 54.840 0.132 0.000 0.834 489 L CB -0.248 42.002 42.059 0.318 0.000 0.944 489 L HN 0.427 nan 8.230 nan 0.000 0.451 490 L N -0.552 120.647 121.223 -0.040 0.000 2.253 490 L HA -0.082 4.258 4.340 0.001 0.000 0.205 490 L C 2.605 179.441 176.870 -0.056 0.000 1.078 490 L CA 0.629 55.363 54.840 -0.177 0.000 0.805 490 L CB -0.016 41.788 42.059 -0.424 0.000 0.963 490 L HN 0.179 nan 8.230 nan 0.000 0.459 491 K N 0.489 120.960 120.400 0.119 0.000 2.044 491 K HA -0.258 4.063 4.320 0.001 0.000 0.210 491 K C 1.714 178.448 176.600 0.223 0.000 1.049 491 K CA 2.026 58.503 56.287 0.316 0.000 0.927 491 K CB -0.004 32.689 32.500 0.321 0.000 0.713 491 K HN 0.360 nan 8.250 nan 0.000 0.443 492 E N -0.179 120.090 120.200 0.114 0.000 2.150 492 E HA -0.168 4.182 4.350 0.001 0.000 0.193 492 E C 1.851 178.467 176.600 0.026 0.000 0.985 492 E CA 0.849 57.292 56.400 0.071 0.000 0.814 492 E CB -0.041 29.686 29.700 0.045 0.000 0.752 492 E HN 0.427 nan 8.360 nan 0.000 0.466 493 A N 1.404 124.203 122.820 -0.035 0.000 1.825 493 A HA -0.151 4.169 4.320 0.001 0.000 0.214 493 A C 2.193 179.769 177.584 -0.013 0.000 1.206 493 A CA 1.064 53.044 52.037 -0.096 0.000 0.609 493 A CB -0.690 18.180 19.000 -0.217 0.000 0.851 493 A HN 0.101 nan 8.150 nan 0.000 0.445 494 I N -0.533 120.035 120.570 -0.003 0.000 2.127 494 I HA -0.338 3.832 4.170 0.001 0.000 0.241 494 I C 2.872 179.129 176.117 0.233 0.000 1.075 494 I CA 1.724 63.061 61.300 0.061 0.000 1.334 494 I CB -0.691 37.187 38.000 -0.202 0.000 1.040 494 I HN 0.458 nan 8.210 nan 0.000 0.405 495 Q N 0.687 120.693 119.800 0.343 0.000 2.096 495 Q HA -0.280 4.060 4.340 0.001 0.000 0.208 495 Q C 2.137 178.244 176.000 0.179 0.000 0.993 495 Q CA 2.109 58.097 55.803 0.308 0.000 0.862 495 Q CB -0.165 28.721 28.738 0.246 0.000 0.915 495 Q HN 0.593 nan 8.270 nan 0.000 0.416 496 E N 0.003 120.270 120.200 0.111 0.000 2.208 496 E HA -0.164 4.186 4.350 0.001 0.000 0.193 496 E C 2.008 178.619 176.600 0.020 0.000 0.988 496 E CA 0.598 57.026 56.400 0.047 0.000 0.828 496 E CB 0.050 29.754 29.700 0.006 0.000 0.763 496 E HN 0.391 nan 8.360 nan 0.000 0.478 497 Q N 0.236 120.064 119.800 0.046 0.000 2.083 497 Q HA -0.028 4.312 4.340 0.001 0.000 0.198 497 Q C 2.150 178.227 176.000 0.128 0.000 0.969 497 Q CA 1.052 56.863 55.803 0.013 0.000 0.838 497 Q CB 0.005 28.793 28.738 0.082 0.000 0.900 497 Q HN 0.308 nan 8.270 nan 0.000 0.436 498 M N 0.325 120.137 119.600 0.353 0.000 2.279 498 M HA -0.166 4.314 4.480 0.001 0.000 0.264 498 M C 1.178 177.732 176.300 0.423 0.000 1.062 498 M CA 1.313 56.980 55.300 0.612 0.000 1.099 498 M CB -0.147 32.723 32.600 0.449 0.000 1.394 498 M HN 0.124 nan 8.290 nan 0.000 0.426 499 E N 0.314 120.630 120.200 0.192 0.000 2.516 499 E HA -0.054 4.296 4.350 0.001 0.000 0.199 499 E C 0.714 177.310 176.600 -0.006 0.000 1.069 499 E CA 0.301 56.758 56.400 0.096 0.000 0.876 499 E CB 0.072 29.807 29.700 0.058 0.000 0.843 499 E HN 0.439 nan 8.360 nan 0.000 0.530 500 R N -0.117 120.307 120.500 -0.126 0.000 2.700 500 R HA 0.252 4.592 4.340 0.001 0.000 0.377 500 R C -0.583 175.421 176.300 -0.494 0.000 1.130 500 R CA -0.185 55.729 56.100 -0.311 0.000 1.055 500 R CB 0.403 30.443 30.300 -0.434 0.000 1.387 500 R HN -0.013 nan 8.270 nan 0.000 0.580 501 F N 0.000 119.908 119.950 -0.071 0.000 2.286 501 F HA 0.000 4.527 4.527 0.000 0.000 0.279 501 F CA 0.000 57.911 58.000 -0.149 0.000 1.383 501 F CB 0.000 38.780 39.000 -0.366 0.000 1.145 501 F HN 0.000 nan 8.300 nan 0.000 0.574