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 2xja_1_C DATA FIRST_RESID 27 DATA SEQUENCE RPNAVVGVRL AALADQVGAA LXXXXXXXXV TEDRTVTGVT LRAQDVSPGD DATA SEQUENCE LFAALTGSTT HGARHVGDAI ARGAVAVLTD PAGVAEIAGR AAVPVLVHPA DATA SEQUENCE PRGVLGGLAA TVYGHPSERL TVIGITGTSG KTTTTYLVEA GLRAAGRVAG DATA SEQUENCE LIGTIGIRVG GADLPSALTT PEAPTLQAML AAMVERGVDT VVMEVSSHAL DATA SEQUENCE ALGRVDGTRF AVGAFTNLSR DHLDFHPSMA DYFEAXASLF DPDSALRART DATA SEQUENCE AVVCIDDDAG RAMAARAADA ITVSAADRPA HWRATDVAPT DAGGQQFTAI DATA SEQUENCE DPAGVGHHIG IRLPGRYNVA NCLVALAILD TVGVSPEQAV PGLREIRVPG DATA SEQUENCE RLEQIDRGQG FLALVDYAHK PEALRSVLTT LAHPDRRLAV VFGAGGDRDP DATA SEQUENCE GKRAPMGRIA AQLADLVVVT DDNPRDEDPT AIRREILAGA AEVGGDAQVV DATA SEQUENCE EIADRRDAIR HAVAWARPGD VVLIAGKGHE TGQRGGGRVR PFDDRVELAA DATA SEQUENCE ALEALE 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 27 R HA 0.000 nan 4.340 nan 0.000 0.208 27 R C 0.000 176.281 176.300 -0.032 0.000 0.893 27 R CA 0.000 56.066 56.100 -0.056 0.000 0.921 27 R CB 0.000 30.301 30.300 0.002 0.000 0.687 28 P HA 0.270 nan 4.420 nan 0.000 0.284 28 P C -0.610 176.714 177.300 0.040 0.000 1.253 28 P CA -0.480 62.628 63.100 0.013 0.000 0.800 28 P CB 0.993 32.715 31.700 0.037 0.000 0.961 29 N N 1.367 120.080 118.700 0.022 0.000 2.188 29 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 29 N C 0.670 176.195 175.510 0.026 0.000 1.018 29 N CA 1.044 54.106 53.050 0.021 0.000 0.858 29 N CB -0.306 38.187 38.487 0.010 0.000 0.989 29 N HN 0.553 nan 8.380 nan 0.000 0.426 30 A N 1.101 123.937 122.820 0.027 0.000 2.644 30 A HA 0.456 4.776 4.320 -0.000 0.000 0.343 30 A C -0.450 177.152 177.584 0.030 0.000 1.324 30 A CA -0.572 51.478 52.037 0.022 0.000 0.846 30 A CB 0.503 19.512 19.000 0.014 0.000 1.128 30 A HN -0.000 nan 8.150 nan 0.000 0.484 31 V N 3.801 123.734 119.914 0.031 0.000 2.398 31 V HA 0.697 4.817 4.120 -0.000 0.000 0.286 31 V C -0.041 176.046 176.094 -0.012 0.000 1.026 31 V CA -0.515 61.796 62.300 0.018 0.000 0.868 31 V CB 1.402 33.241 31.823 0.027 0.000 0.982 31 V HN 0.988 nan 8.190 nan 0.000 0.443 32 V N 4.780 124.684 119.914 -0.018 0.000 2.530 32 V HA 0.805 4.925 4.120 -0.000 0.000 0.282 32 V C 1.029 177.092 176.094 -0.051 0.000 1.048 32 V CA 0.353 62.638 62.300 -0.026 0.000 0.997 32 V CB 0.246 32.059 31.823 -0.016 0.000 0.987 32 V HN 1.138 nan 8.190 nan 0.000 0.477 33 G N 3.049 111.817 108.800 -0.052 0.000 2.621 33 G HA2 0.513 4.473 3.960 -0.000 0.000 0.271 33 G HA3 0.513 4.473 3.960 -0.000 0.000 0.271 33 G C -0.543 174.316 174.900 -0.068 0.000 1.236 33 G CA -0.552 44.504 45.100 -0.073 0.000 0.958 33 G HN 1.084 nan 8.290 nan 0.000 0.512 34 V N 0.679 120.547 119.914 -0.077 0.000 2.487 34 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 34 V C 0.433 176.500 176.094 -0.045 0.000 1.028 34 V CA -1.012 61.252 62.300 -0.060 0.000 0.860 34 V CB 1.360 33.138 31.823 -0.076 0.000 0.991 34 V HN 0.955 nan 8.190 nan 0.000 0.427 35 R N 3.421 123.903 120.500 -0.029 0.000 2.583 35 R HA 0.057 4.397 4.340 -0.000 0.000 0.274 35 R C 0.925 177.212 176.300 -0.021 0.000 0.998 35 R CA -0.368 55.719 56.100 -0.021 0.000 1.081 35 R CB 0.361 30.653 30.300 -0.013 0.000 0.940 35 R HN 0.595 nan 8.270 nan 0.000 0.413 36 L N 3.710 124.923 121.223 -0.017 0.000 2.131 36 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 36 L C 2.395 179.259 176.870 -0.010 0.000 1.092 36 L CA 2.299 57.130 54.840 -0.015 0.000 0.759 36 L CB -0.805 41.249 42.059 -0.008 0.000 0.903 36 L HN 0.967 nan 8.230 nan 0.000 0.435 37 A N -0.197 122.620 122.820 -0.006 0.000 1.903 37 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 37 A C 2.488 180.071 177.584 -0.002 0.000 1.191 37 A CA 2.364 54.400 52.037 -0.001 0.000 0.638 37 A CB -1.330 17.670 19.000 -0.000 0.000 0.823 37 A HN 0.587 nan 8.150 nan 0.000 0.451 38 A N -1.038 121.779 122.820 -0.006 0.000 1.902 38 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 38 A C 2.022 179.601 177.584 -0.008 0.000 1.181 38 A CA 1.751 53.786 52.037 -0.005 0.000 0.623 38 A CB -0.555 18.441 19.000 -0.006 0.000 0.818 38 A HN 0.409 nan 8.150 nan 0.000 0.443 39 L N -0.390 120.822 121.223 -0.018 0.000 2.042 39 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 39 L C 2.958 179.816 176.870 -0.019 0.000 1.076 39 L CA 1.907 56.731 54.840 -0.027 0.000 0.749 39 L CB -1.335 40.701 42.059 -0.039 0.000 0.893 39 L HN 0.431 nan 8.230 nan 0.000 0.432 40 A N -0.598 122.217 122.820 -0.008 0.000 1.855 40 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 40 A C 2.016 179.609 177.584 0.014 0.000 1.191 40 A CA 1.875 53.915 52.037 0.005 0.000 0.613 40 A CB -0.848 18.159 19.000 0.011 0.000 0.829 40 A HN 0.410 nan 8.150 nan 0.000 0.442 41 D N -0.857 119.551 120.400 0.012 0.000 2.182 41 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 41 D C 2.047 178.358 176.300 0.019 0.000 0.986 41 D CA 1.447 55.458 54.000 0.017 0.000 0.847 41 D CB -0.209 40.599 40.800 0.013 0.000 0.942 41 D HN 0.712 nan 8.370 nan 0.000 0.467 42 Q N 0.455 120.261 119.800 0.010 0.000 1.965 42 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 42 Q C 2.016 178.021 176.000 0.010 0.000 0.981 42 Q CA 1.225 57.034 55.803 0.010 0.000 0.834 42 Q CB -0.219 28.522 28.738 0.004 0.000 0.900 42 Q HN 0.114 nan 8.270 nan 0.000 0.426 43 V N 0.638 120.542 119.914 -0.017 0.000 2.688 43 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 43 V C 1.280 177.425 176.094 0.084 0.000 1.084 43 V CA 1.410 63.681 62.300 -0.048 0.000 1.103 43 V CB -0.986 30.727 31.823 -0.184 0.000 0.688 43 V HN 0.793 nan 8.190 nan 0.000 0.480 44 G N 0.182 109.030 108.800 0.081 0.000 2.314 44 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.292 44 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.292 44 G C 0.162 175.160 174.900 0.163 0.000 1.059 44 G CA 0.315 45.478 45.100 0.106 0.000 0.982 44 G HN 1.041 nan 8.290 nan 0.000 0.505 45 A N -0.614 122.299 122.820 0.155 0.000 2.296 45 A HA 0.966 5.286 4.320 -0.000 0.000 0.264 45 A C 0.868 178.499 177.584 0.078 0.000 1.097 45 A CA 0.807 52.939 52.037 0.157 0.000 0.811 45 A CB 0.904 19.972 19.000 0.113 0.000 1.072 45 A HN 2.187 nan 8.150 nan 0.000 0.495 46 A N -0.257 122.599 122.820 0.060 0.000 2.309 46 A HA 0.771 5.090 4.320 -0.000 0.000 0.317 46 A C -0.344 177.259 177.584 0.031 0.000 1.134 46 A CA -0.594 51.464 52.037 0.035 0.000 0.866 46 A CB 0.565 19.578 19.000 0.022 0.000 1.329 46 A HN 0.769 nan 8.150 nan 0.000 0.477 57 T N 1.108 115.665 114.554 0.004 0.000 2.857 57 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 57 T C 1.863 176.563 174.700 0.001 0.000 1.048 57 T CA 3.304 65.406 62.100 0.004 0.000 1.139 57 T CB -0.263 68.608 68.868 0.006 0.000 0.874 57 T HN 1.174 nan 8.240 nan 0.000 0.455 58 E N 0.434 120.635 120.200 0.001 0.000 2.396 58 E HA -0.052 4.298 4.350 -0.000 0.000 0.200 58 E C 1.487 178.086 176.600 -0.002 0.000 1.023 58 E CA 2.062 58.462 56.400 -0.000 0.000 0.857 58 E CB -1.472 28.228 29.700 0.001 0.000 0.775 58 E HN 0.950 nan 8.360 nan 0.000 0.525 59 D N 0.349 120.749 120.400 -0.001 0.000 2.490 59 D HA 0.089 4.729 4.640 -0.000 0.000 0.244 59 D C 1.512 177.810 176.300 -0.004 0.000 0.979 59 D CA 0.131 54.130 54.000 -0.002 0.000 0.924 59 D CB -0.196 40.604 40.800 -0.001 0.000 1.075 59 D HN 0.382 nan 8.370 nan 0.000 0.488 60 R N 0.823 121.320 120.500 -0.004 0.000 2.590 60 R HA 0.407 4.747 4.340 -0.000 0.000 0.274 60 R C -0.588 175.705 176.300 -0.012 0.000 1.061 60 R CA 0.150 56.246 56.100 -0.006 0.000 1.081 60 R CB 0.457 30.756 30.300 -0.002 0.000 0.984 60 R HN 0.233 nan 8.270 nan 0.000 0.448 61 T N 1.973 116.518 114.554 -0.016 0.000 2.794 61 T HA 0.262 4.612 4.350 -0.000 0.000 0.280 61 T C 0.007 174.687 174.700 -0.033 0.000 0.987 61 T CA -0.644 61.440 62.100 -0.026 0.000 0.993 61 T CB 1.732 70.585 68.868 -0.026 0.000 0.939 61 T HN 0.197 nan 8.240 nan 0.000 0.449 62 V N 4.080 123.965 119.914 -0.050 0.000 2.407 62 V HA 0.369 4.489 4.120 -0.000 0.000 0.278 62 V C 1.206 177.237 176.094 -0.106 0.000 1.037 62 V CA -0.387 61.873 62.300 -0.067 0.000 0.900 62 V CB 1.206 32.986 31.823 -0.072 0.000 0.983 62 V HN 1.164 nan 8.190 nan 0.000 0.459 63 T N 0.194 114.685 114.554 -0.105 0.000 3.091 63 T HA 0.500 4.850 4.350 -0.000 0.000 0.277 63 T C 0.431 175.021 174.700 -0.184 0.000 0.996 63 T CA 0.273 62.290 62.100 -0.139 0.000 0.897 63 T CB 0.532 69.359 68.868 -0.069 0.000 1.109 63 T HN 0.928 nan 8.240 nan 0.000 0.534 64 G N 0.212 108.909 108.800 -0.171 0.000 2.677 64 G HA2 0.584 4.544 3.960 -0.000 0.000 0.291 64 G HA3 0.584 4.544 3.960 -0.000 0.000 0.291 64 G C -2.116 172.749 174.900 -0.058 0.000 1.435 64 G CA -0.679 44.358 45.100 -0.106 0.000 0.826 64 G HN 0.248 nan 8.290 nan 0.000 0.491 65 V N 0.070 120.039 119.914 0.091 0.000 2.668 65 V HA 0.807 4.927 4.120 -0.000 0.000 0.304 65 V C -0.265 175.929 176.094 0.167 0.000 1.071 65 V CA -0.502 61.864 62.300 0.109 0.000 0.894 65 V CB 1.768 33.645 31.823 0.091 0.000 1.008 65 V HN 1.091 nan 8.190 nan 0.000 0.425 66 T N 4.182 118.835 114.554 0.165 0.000 2.900 66 T HA 0.567 4.917 4.350 -0.000 0.000 0.303 66 T C -0.063 174.775 174.700 0.231 0.000 1.142 66 T CA -0.458 61.750 62.100 0.179 0.000 1.007 66 T CB 1.780 70.748 68.868 0.167 0.000 1.156 66 T HN 0.801 nan 8.240 nan 0.000 0.490 67 L N 1.729 123.060 121.223 0.180 0.000 3.014 67 L HA 0.686 5.026 4.340 -0.000 0.000 0.263 67 L C 0.248 177.290 176.870 0.287 0.000 1.207 67 L CA -0.530 54.402 54.840 0.153 0.000 1.017 67 L CB 0.132 42.209 42.059 0.031 0.000 1.360 67 L HN 0.391 nan 8.230 nan 0.000 0.560 68 R N 0.602 121.285 120.500 0.304 0.000 2.412 68 R HA 0.575 4.915 4.340 -0.000 0.000 0.304 68 R C 1.004 177.348 176.300 0.072 0.000 1.066 68 R CA 0.603 56.815 56.100 0.186 0.000 0.923 68 R CB 1.561 31.899 30.300 0.063 0.000 1.156 68 R HN 0.223 nan 8.270 nan 0.000 0.513 69 A N 2.948 125.713 122.820 -0.093 0.000 1.915 69 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 69 A C 1.564 178.993 177.584 -0.257 0.000 1.198 69 A CA 1.873 53.588 52.037 -0.537 0.000 0.647 69 A CB -0.324 18.318 19.000 -0.597 0.000 0.825 69 A HN 0.819 nan 8.150 nan 0.000 0.456 70 Q N -0.336 119.375 119.800 -0.149 0.000 2.297 70 Q HA -0.136 4.203 4.340 -0.000 0.000 0.208 70 Q C 0.943 176.905 176.000 -0.064 0.000 0.981 70 Q CA 1.588 57.336 55.803 -0.092 0.000 0.876 70 Q CB -0.206 28.492 28.738 -0.066 0.000 0.921 70 Q HN 0.678 nan 8.270 nan 0.000 0.446 71 D N -0.926 119.446 120.400 -0.047 0.000 2.340 71 D HA -0.012 4.627 4.640 -0.000 0.000 0.220 71 D C -0.039 176.259 176.300 -0.002 0.000 1.039 71 D CA 0.075 54.069 54.000 -0.011 0.000 0.866 71 D CB 0.171 40.981 40.800 0.016 0.000 0.913 71 D HN 0.145 nan 8.370 nan 0.000 0.523 72 V N 0.348 120.244 119.914 -0.030 0.000 2.529 72 V HA 0.184 4.304 4.120 -0.000 0.000 0.292 72 V C 0.332 176.423 176.094 -0.005 0.000 1.028 72 V CA -0.240 62.055 62.300 -0.010 0.000 1.074 72 V CB 0.923 32.720 31.823 -0.043 0.000 0.958 72 V HN -0.107 nan 8.190 nan 0.000 0.481 73 S N 6.910 122.621 115.700 0.018 0.000 2.652 73 S HA 0.524 4.993 4.470 -0.000 0.000 0.270 73 S C -2.429 172.177 174.600 0.011 0.000 1.243 73 S CA -0.806 57.402 58.200 0.014 0.000 0.999 73 S CB 1.260 64.476 63.200 0.027 0.000 0.973 73 S HN 0.831 nan 8.310 nan 0.000 0.544 74 P HA 0.189 nan 4.420 nan 0.000 0.266 74 P C 0.785 178.088 177.300 0.005 0.000 1.195 74 P CA 0.947 64.049 63.100 0.003 0.000 0.768 74 P CB 0.267 31.968 31.700 0.001 0.000 0.838 75 G N 1.391 110.193 108.800 0.004 0.000 2.199 75 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.254 75 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 75 G C -0.028 174.870 174.900 -0.003 0.000 0.982 75 G CA -0.143 44.956 45.100 -0.002 0.000 0.632 75 G HN 0.503 nan 8.290 nan 0.000 0.529 76 D N 0.178 120.587 120.400 0.015 0.000 2.341 76 D HA 0.437 5.077 4.640 -0.000 0.000 0.245 76 D C 0.687 177.019 176.300 0.052 0.000 1.106 76 D CA -0.370 53.648 54.000 0.030 0.000 0.905 76 D CB 0.943 41.780 40.800 0.062 0.000 1.202 76 D HN 0.182 nan 8.370 nan 0.000 0.426 77 L N 3.457 124.709 121.223 0.049 0.000 2.278 77 L HA 0.303 4.643 4.340 -0.000 0.000 0.287 77 L C -0.805 176.160 176.870 0.160 0.000 1.072 77 L CA -0.553 54.331 54.840 0.074 0.000 0.819 77 L CB 0.079 42.148 42.059 0.016 0.000 1.176 77 L HN 0.385 nan 8.230 nan 0.000 0.435 78 F N 5.245 125.205 119.950 0.017 0.000 2.444 78 F HA 0.426 4.953 4.527 -0.001 0.000 0.360 78 F C 0.428 176.251 175.800 0.037 0.000 1.106 78 F CA -0.813 57.205 58.000 0.030 0.000 1.170 78 F CB 1.019 40.042 39.000 0.038 0.000 1.113 78 F HN 0.637 nan 8.300 nan 0.000 0.521 79 A N 6.061 128.668 122.820 -0.356 0.000 2.316 79 A HA 0.612 4.932 4.320 -0.000 0.000 0.311 79 A C -0.139 176.861 177.584 -0.973 0.000 1.339 79 A CA -0.309 51.441 52.037 -0.478 0.000 0.960 79 A CB -0.184 18.702 19.000 -0.190 0.000 1.152 79 A HN 0.974 nan 8.150 nan 0.000 0.547 80 A N 4.481 126.738 122.820 -0.940 0.000 2.506 80 A HA 0.582 4.902 4.320 -0.000 0.000 0.320 80 A C -0.003 177.505 177.584 -0.127 0.000 1.424 80 A CA -0.256 51.401 52.037 -0.634 0.000 1.044 80 A CB -0.394 18.411 19.000 -0.325 0.000 1.140 80 A HN 0.799 nan 8.150 nan 0.000 0.538 81 L N 1.605 122.751 121.223 -0.128 0.000 2.352 81 L HA 0.568 4.907 4.340 -0.000 0.000 0.269 81 L C 1.087 177.700 176.870 -0.428 0.000 1.034 81 L CA -0.817 53.921 54.840 -0.170 0.000 0.806 81 L CB 1.749 43.735 42.059 -0.122 0.000 1.244 81 L HN 0.679 nan 8.230 nan 0.000 0.447 82 T N -1.008 113.135 114.554 -0.685 0.000 2.910 82 T HA 0.654 5.003 4.350 -0.000 0.000 0.293 82 T C -0.000 174.564 174.700 -0.225 0.000 1.015 82 T CA -0.214 61.479 62.100 -0.679 0.000 1.094 82 T CB 1.499 70.039 68.868 -0.548 0.000 0.968 82 T HN 0.805 nan 8.240 nan 0.000 0.521 83 G N 0.643 109.375 108.800 -0.114 0.000 2.727 83 G HA2 0.481 4.441 3.960 -0.000 0.000 0.289 83 G HA3 0.481 4.441 3.960 -0.000 0.000 0.289 83 G C 0.482 175.387 174.900 0.007 0.000 1.418 83 G CA -0.551 44.533 45.100 -0.027 0.000 0.818 83 G HN 0.610 nan 8.290 nan 0.000 0.486 84 S N -0.953 114.766 115.700 0.032 0.000 2.447 84 S HA -0.045 4.425 4.470 -0.000 0.000 0.233 84 S C 2.132 176.757 174.600 0.042 0.000 1.006 84 S CA 1.845 60.069 58.200 0.040 0.000 0.957 84 S CB -0.025 63.210 63.200 0.058 0.000 0.773 84 S HN 0.629 nan 8.310 nan 0.000 0.507 85 T N -0.689 113.893 114.554 0.047 0.000 3.042 85 T HA 0.187 4.537 4.350 -0.000 0.000 0.245 85 T C 0.877 175.621 174.700 0.074 0.000 1.029 85 T CA 0.521 62.654 62.100 0.054 0.000 1.120 85 T CB 0.418 69.316 68.868 0.051 0.000 0.917 85 T HN 0.378 nan 8.240 nan 0.000 0.467 86 T N -0.137 114.471 114.554 0.089 0.000 2.626 86 T HA 0.380 4.730 4.350 -0.000 0.000 0.299 86 T C -2.284 172.513 174.700 0.161 0.000 1.181 86 T CA -0.629 61.554 62.100 0.138 0.000 1.053 86 T CB 1.393 70.377 68.868 0.194 0.000 1.566 86 T HN 0.106 nan 8.240 nan 0.000 0.486 87 H N -0.609 118.530 119.070 0.115 0.000 2.589 87 H HA 0.494 5.050 4.556 -0.000 0.000 0.351 87 H C 1.110 176.555 175.328 0.196 0.000 1.074 87 H CA 0.250 56.364 56.048 0.109 0.000 1.203 87 H CB 1.685 31.487 29.762 0.068 0.000 1.558 87 H HN 0.827 nan 8.280 nan 0.000 0.522 88 G N 2.571 111.682 108.800 0.519 0.000 2.559 88 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 88 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 88 G C 1.449 176.670 174.900 0.534 0.000 1.126 88 G CA 0.589 46.015 45.100 0.543 0.000 0.778 88 G HN 0.664 nan 8.290 nan 0.000 0.543 89 A N 0.934 123.973 122.820 0.365 0.000 2.076 89 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 89 A C 2.240 179.857 177.584 0.054 0.000 1.160 89 A CA 1.076 53.145 52.037 0.055 0.000 0.653 89 A CB -0.230 18.507 19.000 -0.438 0.000 0.801 89 A HN 0.397 nan 8.150 nan 0.000 0.455 90 R N -0.753 119.766 120.500 0.032 0.000 2.363 90 R HA 0.143 4.483 4.340 -0.000 0.000 0.236 90 R C 0.055 176.101 176.300 -0.423 0.000 0.966 90 R CA 0.247 56.242 56.100 -0.175 0.000 1.100 90 R CB -0.011 30.151 30.300 -0.230 0.000 1.125 90 R HN 0.605 nan 8.270 nan 0.000 0.514 91 H N -1.266 117.892 119.070 0.147 0.000 2.885 91 H HA 0.127 4.683 4.556 -0.000 0.000 0.254 91 H C 1.357 176.679 175.328 -0.010 0.000 1.185 91 H CA -0.097 55.989 56.048 0.064 0.000 1.029 91 H CB 0.829 30.632 29.762 0.069 0.000 1.743 91 H HN -0.063 nan 8.280 nan 0.000 0.632 92 V N 0.630 120.656 119.914 0.187 0.000 2.287 92 V HA -0.227 3.892 4.120 -0.000 0.000 0.248 92 V C 2.705 178.808 176.094 0.015 0.000 1.053 92 V CA 2.313 64.701 62.300 0.147 0.000 1.027 92 V CB -0.760 31.169 31.823 0.177 0.000 0.646 92 V HN 0.555 nan 8.190 nan 0.000 0.447 93 G N -0.228 108.574 108.800 0.003 0.000 2.529 93 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.219 93 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.219 93 G C 1.323 176.201 174.900 -0.038 0.000 1.177 93 G CA 1.456 46.547 45.100 -0.015 0.000 0.773 93 G HN 0.582 nan 8.290 nan 0.000 0.573 94 D N 0.551 120.923 120.400 -0.047 0.000 2.117 94 D HA 0.031 4.671 4.640 -0.000 0.000 0.197 94 D C 2.697 178.913 176.300 -0.141 0.000 0.987 94 D CA 1.631 55.589 54.000 -0.069 0.000 0.829 94 D CB -0.407 40.373 40.800 -0.033 0.000 0.961 94 D HN 0.271 nan 8.370 nan 0.000 0.460 95 A N 0.121 122.787 122.820 -0.257 0.000 1.873 95 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 95 A C 2.459 179.951 177.584 -0.152 0.000 1.186 95 A CA 1.265 53.087 52.037 -0.359 0.000 0.616 95 A CB -0.857 17.659 19.000 -0.808 0.000 0.823 95 A HN 0.362 nan 8.150 nan 0.000 0.442 96 I N -0.064 120.457 120.570 -0.081 0.000 2.163 96 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 96 I C 2.930 179.029 176.117 -0.030 0.000 1.085 96 I CA 1.284 62.568 61.300 -0.026 0.000 1.347 96 I CB -0.317 37.683 38.000 -0.001 0.000 1.044 96 I HN 0.358 nan 8.210 nan 0.000 0.408 97 A N 0.403 123.200 122.820 -0.038 0.000 2.019 97 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 97 A C 2.212 179.775 177.584 -0.034 0.000 1.164 97 A CA 1.272 53.290 52.037 -0.030 0.000 0.644 97 A CB -0.537 18.446 19.000 -0.028 0.000 0.805 97 A HN 0.371 nan 8.150 nan 0.000 0.449 98 R N -1.326 119.143 120.500 -0.051 0.000 2.320 98 R HA 0.207 4.547 4.340 -0.000 0.000 0.211 98 R C 1.046 177.327 176.300 -0.032 0.000 0.931 98 R CA 0.505 56.577 56.100 -0.047 0.000 1.071 98 R CB -0.085 30.174 30.300 -0.069 0.000 1.025 98 R HN 0.664 nan 8.270 nan 0.000 0.495 99 G N 0.339 109.124 108.800 -0.025 0.000 2.131 99 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.223 99 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.223 99 G C 0.186 175.085 174.900 -0.001 0.000 0.990 99 G CA -0.132 44.961 45.100 -0.010 0.000 0.671 99 G HN 0.469 nan 8.290 nan 0.000 0.521 100 A N -0.118 122.702 122.820 -0.000 0.000 2.531 100 A HA 0.583 4.903 4.320 -0.000 0.000 0.236 100 A C 1.651 179.256 177.584 0.035 0.000 1.062 100 A CA 0.855 52.910 52.037 0.030 0.000 0.760 100 A CB 0.617 19.648 19.000 0.052 0.000 0.995 100 A HN 1.668 nan 8.150 nan 0.000 0.501 101 V N -0.891 119.045 119.914 0.038 0.000 3.621 101 V HA 0.630 4.749 4.120 -0.000 0.000 0.285 101 V C 0.485 176.600 176.094 0.036 0.000 1.346 101 V CA 0.616 62.932 62.300 0.027 0.000 1.104 101 V CB -1.446 30.384 31.823 0.013 0.000 0.913 101 V HN 2.034 nan 8.190 nan 0.000 0.432 102 A N -0.778 122.077 122.820 0.059 0.000 2.571 102 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 102 A C -1.321 176.322 177.584 0.098 0.000 1.005 102 A CA -0.254 51.819 52.037 0.061 0.000 0.682 102 A CB 1.210 20.231 19.000 0.035 0.000 1.292 102 A HN 0.485 nan 8.150 nan 0.000 0.420 103 V N 2.271 122.237 119.914 0.087 0.000 2.495 103 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 103 V C -0.417 175.688 176.094 0.019 0.000 1.031 103 V CA -0.645 61.710 62.300 0.091 0.000 0.871 103 V CB 1.739 33.637 31.823 0.125 0.000 0.988 103 V HN 0.824 nan 8.190 nan 0.000 0.432 104 L N 4.695 125.894 121.223 -0.041 0.000 2.294 104 L HA 0.694 5.034 4.340 -0.000 0.000 0.283 104 L C -0.463 176.371 176.870 -0.060 0.000 1.015 104 L CA 0.441 55.257 54.840 -0.041 0.000 0.831 104 L CB 1.321 43.348 42.059 -0.054 0.000 1.217 104 L HN 0.845 nan 8.230 nan 0.000 0.420 105 T N 2.075 116.628 114.554 -0.002 0.000 2.865 105 T HA 0.468 4.817 4.350 -0.000 0.000 0.294 105 T C -0.891 173.853 174.700 0.073 0.000 1.119 105 T CA -0.540 61.578 62.100 0.030 0.000 1.007 105 T CB 1.618 70.507 68.868 0.036 0.000 1.225 105 T HN 0.734 nan 8.240 nan 0.000 0.515 106 D N 1.666 122.132 120.400 0.109 0.000 2.433 106 D HA 0.338 4.978 4.640 -0.000 0.000 0.255 106 D C -1.919 174.430 176.300 0.081 0.000 1.226 106 D CA -1.609 52.450 54.000 0.098 0.000 1.015 106 D CB -0.119 40.741 40.800 0.100 0.000 1.091 106 D HN 0.175 nan 8.370 nan 0.000 0.527 107 P HA 0.008 nan 4.420 nan 0.000 0.223 107 P C 1.027 178.350 177.300 0.039 0.000 1.151 107 P CA 1.425 64.545 63.100 0.034 0.000 0.787 107 P CB -0.050 31.660 31.700 0.017 0.000 0.788 108 A N -0.033 122.837 122.820 0.083 0.000 2.015 108 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 108 A C 2.372 179.955 177.584 -0.001 0.000 1.163 108 A CA 1.870 53.965 52.037 0.095 0.000 0.646 108 A CB -1.718 17.399 19.000 0.195 0.000 0.806 108 A HN 0.278 nan 8.150 nan 0.000 0.448 109 G N 0.014 108.820 108.800 0.010 0.000 2.424 109 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.214 109 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.214 109 G C 1.632 176.448 174.900 -0.139 0.000 1.202 109 G CA 1.760 46.714 45.100 -0.244 0.000 0.793 109 G HN 0.936 nan 8.290 nan 0.000 0.534 110 V N -0.356 119.531 119.914 -0.045 0.000 2.469 110 V HA -0.046 4.074 4.120 -0.000 0.000 0.251 110 V C 2.926 178.997 176.094 -0.037 0.000 1.064 110 V CA 2.017 64.300 62.300 -0.029 0.000 1.066 110 V CB -1.216 30.604 31.823 -0.005 0.000 0.667 110 V HN 0.421 nan 8.190 nan 0.000 0.461 111 A N 0.193 122.988 122.820 -0.041 0.000 1.883 111 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 111 A C 2.217 179.767 177.584 -0.056 0.000 1.186 111 A CA 1.885 53.899 52.037 -0.038 0.000 0.624 111 A CB -0.588 18.397 19.000 -0.026 0.000 0.822 111 A HN 0.606 nan 8.150 nan 0.000 0.444 112 E N 0.158 120.297 120.200 -0.102 0.000 2.023 112 E HA -0.202 4.147 4.350 -0.000 0.000 0.196 112 E C 2.027 178.582 176.600 -0.075 0.000 1.003 112 E CA 1.563 57.896 56.400 -0.112 0.000 0.809 112 E CB -0.619 28.957 29.700 -0.208 0.000 0.755 112 E HN 0.740 nan 8.360 nan 0.000 0.449 113 I N 1.294 121.824 120.570 -0.068 0.000 2.185 113 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 113 I C 1.845 177.947 176.117 -0.024 0.000 1.088 113 I CA 0.925 62.206 61.300 -0.032 0.000 1.347 113 I CB -0.740 37.252 38.000 -0.013 0.000 1.041 113 I HN 0.091 nan 8.210 nan 0.000 0.415 114 A N 0.460 123.264 122.820 -0.025 0.000 5.483 114 A HA -0.247 4.073 4.320 -0.000 0.000 0.309 114 A C 1.105 178.683 177.584 -0.009 0.000 1.898 114 A CA 1.009 53.036 52.037 -0.017 0.000 0.716 114 A CB -2.244 16.746 19.000 -0.016 0.000 1.309 114 A HN 0.632 nan 8.150 nan 0.000 0.380 115 G N -1.268 107.528 108.800 -0.007 0.000 2.699 115 G HA2 0.612 4.572 3.960 -0.000 0.000 0.246 115 G HA3 0.612 4.572 3.960 -0.000 0.000 0.246 115 G C 0.884 175.783 174.900 -0.001 0.000 1.219 115 G CA 2.117 47.215 45.100 -0.003 0.000 0.866 115 G HN 2.577 nan 8.290 nan 0.000 0.572 116 R N -1.745 118.756 120.500 0.002 0.000 3.614 116 R HA 0.214 4.554 4.340 -0.000 0.000 0.098 116 R C 0.414 176.719 176.300 0.009 0.000 1.028 116 R CA 1.331 57.434 56.100 0.005 0.000 0.827 116 R CB -1.816 28.486 30.300 0.004 0.000 1.901 116 R HN 2.552 nan 8.270 nan 0.000 0.174 117 A N 2.300 125.129 122.820 0.015 0.000 2.356 117 A HA 0.898 5.218 4.320 -0.000 0.000 0.323 117 A C 1.567 179.162 177.584 0.018 0.000 1.119 117 A CA 0.190 52.239 52.037 0.021 0.000 0.790 117 A CB 1.564 20.585 19.000 0.036 0.000 1.273 117 A HN 2.244 nan 8.150 nan 0.000 0.452 118 A N 0.935 123.765 122.820 0.016 0.000 1.908 118 A HA 0.188 4.508 4.320 -0.000 0.000 0.218 118 A C 1.260 178.855 177.584 0.017 0.000 1.181 118 A CA 1.975 54.020 52.037 0.013 0.000 0.627 118 A CB -1.378 17.628 19.000 0.010 0.000 0.818 118 A HN 1.921 nan 8.150 nan 0.000 0.445 119 V N -3.841 116.088 119.914 0.025 0.000 3.083 119 V HA 0.495 4.615 4.120 -0.000 0.000 0.306 119 V C -2.776 173.336 176.094 0.030 0.000 1.077 119 V CA -2.610 59.707 62.300 0.029 0.000 1.073 119 V CB 0.130 31.977 31.823 0.039 0.000 1.081 119 V HN 0.130 nan 8.190 nan 0.000 0.474 120 P HA 0.278 nan 4.420 nan 0.000 0.268 120 P C -0.805 176.515 177.300 0.033 0.000 1.205 120 P CA 0.030 63.145 63.100 0.026 0.000 0.771 120 P CB 0.728 32.440 31.700 0.020 0.000 0.858 121 V N 5.215 125.146 119.914 0.029 0.000 2.275 121 V HA 0.164 4.284 4.120 -0.000 0.000 0.272 121 V C 0.120 176.230 176.094 0.027 0.000 1.028 121 V CA -0.569 61.750 62.300 0.031 0.000 0.810 121 V CB 0.614 32.454 31.823 0.029 0.000 1.043 121 V HN 0.382 nan 8.190 nan 0.000 0.453 122 L N 5.516 126.756 121.223 0.028 0.000 2.367 122 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 122 L C 0.035 176.932 176.870 0.044 0.000 1.129 122 L CA 0.605 55.464 54.840 0.032 0.000 0.839 122 L CB 1.362 43.436 42.059 0.024 0.000 1.133 122 L HN 0.403 nan 8.230 nan 0.000 0.453 123 V N 3.242 123.191 119.914 0.059 0.000 2.448 123 V HA 0.453 4.573 4.120 -0.000 0.000 0.295 123 V C -0.352 175.812 176.094 0.116 0.000 1.025 123 V CA -0.727 61.614 62.300 0.068 0.000 0.859 123 V CB 1.350 33.195 31.823 0.037 0.000 0.988 123 V HN 0.666 nan 8.190 nan 0.000 0.431 124 H N 5.216 124.289 119.070 0.005 0.000 2.717 124 H HA 0.505 5.061 4.556 -0.000 0.000 0.366 124 H C -2.765 172.568 175.328 0.009 0.000 1.132 124 H CA -1.915 54.136 56.048 0.005 0.000 1.180 124 H CB 3.499 33.261 29.762 0.001 0.000 1.678 124 H HN 0.430 nan 8.280 nan 0.000 0.537 125 P HA 0.112 nan 4.420 nan 0.000 0.274 125 P C -0.542 176.753 177.300 -0.008 0.000 1.246 125 P CA 0.106 63.130 63.100 -0.127 0.000 0.795 125 P CB 0.352 31.950 31.700 -0.171 0.000 1.006 126 A N 1.076 123.927 122.820 0.051 0.000 2.364 126 A HA -0.155 4.165 4.320 -0.000 0.000 0.288 126 A C -1.342 176.387 177.584 0.241 0.000 1.433 126 A CA 0.440 52.545 52.037 0.114 0.000 0.757 126 A CB -2.518 16.536 19.000 0.090 0.000 1.098 126 A HN 0.432 nan 8.150 nan 0.000 0.380 127 P HA -0.160 nan 4.420 nan 0.000 0.216 127 P C 1.554 178.867 177.300 0.021 0.000 1.153 127 P CA 1.321 64.478 63.100 0.094 0.000 0.848 127 P CB -0.028 31.696 31.700 0.041 0.000 0.787 128 R N 0.294 120.807 120.500 0.021 0.000 2.211 128 R HA -0.083 4.257 4.340 -0.000 0.000 0.240 128 R C 1.808 178.122 176.300 0.024 0.000 1.144 128 R CA 1.779 57.886 56.100 0.012 0.000 0.992 128 R CB -1.162 29.147 30.300 0.015 0.000 0.869 128 R HN 0.154 nan 8.270 nan 0.000 0.462 129 G N -0.746 108.079 108.800 0.042 0.000 3.233 129 G HA2 0.121 4.081 3.960 -0.000 0.000 0.227 129 G HA3 0.121 4.081 3.960 -0.000 0.000 0.227 129 G C 0.623 175.539 174.900 0.026 0.000 1.175 129 G CA 0.105 45.234 45.100 0.049 0.000 0.781 129 G HN 0.257 nan 8.290 nan 0.000 0.542 130 V N -0.639 119.261 119.914 -0.023 0.000 3.443 130 V HA 0.159 4.279 4.120 -0.000 0.000 0.277 130 V C 1.783 177.827 176.094 -0.083 0.000 1.648 130 V CA -0.022 62.227 62.300 -0.084 0.000 1.058 130 V CB 0.347 32.020 31.823 -0.250 0.000 0.877 130 V HN 0.209 nan 8.190 nan 0.000 0.417 131 L N 1.682 122.872 121.223 -0.055 0.000 2.079 131 L HA 0.058 4.398 4.340 -0.000 0.000 0.210 131 L C 2.201 179.066 176.870 -0.008 0.000 1.081 131 L CA 2.938 57.756 54.840 -0.036 0.000 0.752 131 L CB -1.176 40.871 42.059 -0.021 0.000 0.896 131 L HN 0.331 nan 8.230 nan 0.000 0.433 132 G N -1.091 107.713 108.800 0.007 0.000 2.480 132 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 132 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 132 G C 1.543 176.457 174.900 0.023 0.000 1.200 132 G CA 0.641 45.755 45.100 0.024 0.000 0.782 132 G HN 0.571 nan 8.290 nan 0.000 0.554 133 G N 0.421 109.234 108.800 0.021 0.000 2.450 133 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 133 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 133 G C 1.806 176.708 174.900 0.003 0.000 1.130 133 G CA 0.723 45.843 45.100 0.033 0.000 0.760 133 G HN 0.415 nan 8.290 nan 0.000 0.557 134 L N 0.330 121.539 121.223 -0.024 0.000 2.005 134 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 134 L C 3.417 180.254 176.870 -0.055 0.000 1.072 134 L CA 1.053 55.864 54.840 -0.048 0.000 0.744 134 L CB -0.430 41.592 42.059 -0.062 0.000 0.895 134 L HN 0.308 nan 8.230 nan 0.000 0.433 135 A N -0.107 122.711 122.820 -0.003 0.000 1.940 135 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 135 A C 2.443 180.080 177.584 0.090 0.000 1.176 135 A CA 1.778 53.863 52.037 0.080 0.000 0.631 135 A CB -0.657 18.438 19.000 0.159 0.000 0.814 135 A HN 0.445 nan 8.150 nan 0.000 0.446 136 A N -1.346 121.472 122.820 -0.003 0.000 1.969 136 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 136 A C 2.281 179.600 177.584 -0.441 0.000 1.169 136 A CA 2.134 54.115 52.037 -0.093 0.000 0.635 136 A CB -0.973 18.026 19.000 -0.002 0.000 0.810 136 A HN 0.420 nan 8.150 nan 0.000 0.445 137 T N -0.636 113.684 114.554 -0.391 0.000 2.732 137 T HA -0.113 4.237 4.350 -0.000 0.000 0.261 137 T C 1.985 176.493 174.700 -0.321 0.000 1.040 137 T CA 1.690 63.510 62.100 -0.466 0.000 1.145 137 T CB -0.598 68.180 68.868 -0.151 0.000 0.866 137 T HN 0.474 nan 8.240 nan 0.000 0.427 138 V N 0.277 120.025 119.914 -0.276 0.000 2.594 138 V HA -0.138 3.982 4.120 -0.000 0.000 0.253 138 V C 1.424 177.252 176.094 -0.442 0.000 1.069 138 V CA 1.499 63.583 62.300 -0.360 0.000 1.082 138 V CB -0.836 30.737 31.823 -0.417 0.000 0.680 138 V HN 0.610 nan 8.190 nan 0.000 0.469 139 Y N 1.329 121.541 120.300 -0.147 0.000 2.493 139 Y HA 0.560 5.110 4.550 -0.000 0.000 0.275 139 Y C 1.822 177.643 175.900 -0.133 0.000 1.183 139 Y CA -0.026 58.005 58.100 -0.115 0.000 1.258 139 Y CB -0.147 38.258 38.460 -0.093 0.000 1.108 139 Y HN 0.398 nan 8.280 nan 0.000 0.521 140 G N 0.633 109.360 108.800 -0.121 0.000 2.198 140 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 140 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 140 G C -0.208 174.677 174.900 -0.025 0.000 1.042 140 G CA 0.357 45.404 45.100 -0.089 0.000 0.791 140 G HN 0.655 nan 8.290 nan 0.000 0.502 141 H N -2.787 116.303 119.070 0.033 0.000 2.889 141 H HA -0.136 4.420 4.556 -0.000 0.000 0.324 141 H C -0.793 174.529 175.328 -0.010 0.000 1.274 141 H CA 1.085 57.137 56.048 0.006 0.000 1.176 141 H CB -1.652 28.106 29.762 -0.007 0.000 1.479 141 H HN 0.550 nan 8.280 nan 0.000 0.438 142 P HA -0.099 nan 4.420 nan 0.000 0.222 142 P C 1.371 178.658 177.300 -0.022 0.000 1.147 142 P CA 1.531 64.635 63.100 0.006 0.000 0.790 142 P CB 0.113 31.798 31.700 -0.025 0.000 0.780 143 S N -1.067 114.611 115.700 -0.035 0.000 2.522 143 S HA -0.002 4.468 4.470 -0.000 0.000 0.227 143 S C 1.947 176.510 174.600 -0.063 0.000 0.986 143 S CA 0.981 59.127 58.200 -0.091 0.000 0.929 143 S CB -1.094 62.005 63.200 -0.169 0.000 0.769 143 S HN 0.299 nan 8.310 nan 0.000 0.529 144 E N 1.935 122.126 120.200 -0.014 0.000 2.502 144 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 144 E C 1.765 178.356 176.600 -0.015 0.000 1.062 144 E CA 0.180 56.570 56.400 -0.017 0.000 0.867 144 E CB -0.498 29.198 29.700 -0.007 0.000 0.888 144 E HN 0.621 nan 8.360 nan 0.000 0.510 145 R N -1.141 119.350 120.500 -0.015 0.000 2.476 145 R HA 0.394 4.734 4.340 -0.000 0.000 0.276 145 R C -0.029 176.256 176.300 -0.025 0.000 0.941 145 R CA -0.063 56.029 56.100 -0.014 0.000 1.088 145 R CB 0.601 30.898 30.300 -0.005 0.000 1.216 145 R HN 0.271 nan 8.270 nan 0.000 0.533 146 L N 0.895 122.094 121.223 -0.039 0.000 2.381 146 L HA 0.385 4.725 4.340 -0.000 0.000 0.268 146 L C -0.290 176.549 176.870 -0.053 0.000 0.997 146 L CA -0.757 54.054 54.840 -0.048 0.000 0.818 146 L CB 2.597 44.617 42.059 -0.064 0.000 1.310 146 L HN -0.189 nan 8.230 nan 0.000 0.416 147 T N 2.241 116.771 114.554 -0.041 0.000 2.743 147 T HA 0.248 4.598 4.350 -0.000 0.000 0.290 147 T C -0.064 174.610 174.700 -0.044 0.000 0.908 147 T CA -0.152 61.927 62.100 -0.034 0.000 1.092 147 T CB 0.403 69.261 68.868 -0.017 0.000 0.882 147 T HN 0.148 nan 8.240 nan 0.000 0.531 148 V N 6.157 126.030 119.914 -0.069 0.000 2.370 148 V HA 0.416 4.536 4.120 -0.000 0.000 0.279 148 V C 0.183 176.301 176.094 0.040 0.000 1.029 148 V CA -0.720 61.528 62.300 -0.086 0.000 0.870 148 V CB 1.127 32.783 31.823 -0.278 0.000 0.984 148 V HN 0.762 nan 8.190 nan 0.000 0.451 149 I N 4.204 124.825 120.570 0.085 0.000 2.336 149 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 149 I C 0.801 177.059 176.117 0.234 0.000 0.991 149 I CA -0.052 61.336 61.300 0.148 0.000 1.227 149 I CB 1.669 39.709 38.000 0.067 0.000 1.366 149 I HN 0.684 nan 8.210 nan 0.000 0.466 150 G N 7.210 116.177 108.800 0.278 0.000 2.368 150 G HA2 0.717 4.677 3.960 -0.000 0.000 0.320 150 G HA3 0.717 4.677 3.960 -0.000 0.000 0.320 150 G C -0.703 174.188 174.900 -0.014 0.000 1.158 150 G CA -0.393 44.770 45.100 0.105 0.000 0.912 150 G HN 0.499 nan 8.290 nan 0.000 0.456 151 I N 2.040 122.618 120.570 0.014 0.000 2.382 151 I HA 0.304 4.474 4.170 -0.000 0.000 0.285 151 I C 0.373 176.494 176.117 0.007 0.000 1.007 151 I CA -0.453 60.860 61.300 0.023 0.000 1.142 151 I CB 2.066 40.080 38.000 0.023 0.000 1.289 151 I HN 0.396 nan 8.210 nan 0.000 0.453 152 T N 3.960 118.533 114.554 0.031 0.000 2.937 152 T HA 0.921 5.271 4.350 -0.000 0.000 0.283 152 T C -0.250 174.368 174.700 -0.137 0.000 1.012 152 T CA -0.178 61.926 62.100 0.006 0.000 0.997 152 T CB 1.753 70.668 68.868 0.078 0.000 1.136 152 T HN 0.967 nan 8.240 nan 0.000 0.551 153 G N 0.652 109.339 108.800 -0.189 0.000 2.321 153 G HA2 0.153 4.113 3.960 -0.000 0.000 0.339 153 G HA3 0.153 4.113 3.960 -0.000 0.000 0.339 153 G C 0.486 175.290 174.900 -0.161 0.000 1.518 153 G CA 0.137 44.984 45.100 -0.421 0.000 0.994 153 G HN 0.659 nan 8.290 nan 0.000 0.668 154 T N 0.435 114.908 114.554 -0.135 0.000 2.652 154 T HA 0.130 4.480 4.350 -0.000 0.000 0.267 154 T C 1.278 175.999 174.700 0.034 0.000 1.039 154 T CA 2.036 64.184 62.100 0.079 0.000 1.153 154 T CB -0.216 68.729 68.868 0.128 0.000 0.863 154 T HN 0.697 nan 8.240 nan 0.000 0.428 155 S N -1.601 114.054 115.700 -0.075 0.000 2.568 155 S HA 0.557 5.027 4.470 -0.000 0.000 0.293 155 S C 0.812 175.331 174.600 -0.135 0.000 1.089 155 S CA -0.203 57.940 58.200 -0.094 0.000 0.945 155 S CB 1.956 65.055 63.200 -0.169 0.000 1.077 155 S HN 0.629 nan 8.310 nan 0.000 0.485 156 G N 1.278 110.016 108.800 -0.103 0.000 2.159 156 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.227 156 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.227 156 G C 0.668 175.539 174.900 -0.048 0.000 0.986 156 G CA 0.459 45.506 45.100 -0.089 0.000 0.651 156 G HN 0.600 nan 8.290 nan 0.000 0.523 157 K N -0.168 120.212 120.400 -0.035 0.000 2.002 157 K HA -0.038 4.282 4.320 -0.000 0.000 0.209 157 K C 2.599 179.212 176.600 0.022 0.000 1.048 157 K CA 1.828 58.110 56.287 -0.008 0.000 0.930 157 K CB -0.412 32.091 32.500 0.006 0.000 0.714 157 K HN 0.327 nan 8.250 nan 0.000 0.438 158 T N 0.943 115.507 114.554 0.017 0.000 2.684 158 T HA -0.145 4.204 4.350 -0.000 0.000 0.267 158 T C 2.013 176.747 174.700 0.057 0.000 1.036 158 T CA 1.944 64.060 62.100 0.027 0.000 1.148 158 T CB -0.440 68.385 68.868 -0.072 0.000 0.863 158 T HN 0.285 nan 8.240 nan 0.000 0.436 159 T N 1.852 116.406 114.554 -0.001 0.000 2.674 159 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 159 T C 2.319 177.063 174.700 0.074 0.000 1.039 159 T CA 1.700 63.808 62.100 0.013 0.000 1.150 159 T CB -0.852 68.019 68.868 0.006 0.000 0.864 159 T HN 0.382 nan 8.240 nan 0.000 0.427 160 T N 2.209 116.791 114.554 0.046 0.000 2.778 160 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 160 T C 2.407 177.141 174.700 0.057 0.000 1.050 160 T CA 1.874 63.998 62.100 0.040 0.000 1.137 160 T CB -0.739 68.134 68.868 0.009 0.000 0.860 160 T HN 0.733 nan 8.240 nan 0.000 0.468 161 T N -0.605 114.000 114.554 0.085 0.000 2.812 161 T HA -0.071 4.279 4.350 -0.000 0.000 0.264 161 T C 1.743 176.473 174.700 0.049 0.000 1.042 161 T CA 0.766 62.901 62.100 0.058 0.000 1.140 161 T CB -0.803 68.097 68.868 0.053 0.000 0.870 161 T HN 0.436 nan 8.240 nan 0.000 0.445 162 Y N 1.515 121.798 120.300 -0.028 0.000 2.224 162 Y HA 0.101 4.650 4.550 -0.000 0.000 0.289 162 Y C 2.422 178.312 175.900 -0.016 0.000 1.146 162 Y CA 0.882 58.966 58.100 -0.025 0.000 1.182 162 Y CB -0.334 38.107 38.460 -0.030 0.000 0.983 162 Y HN 0.144 nan 8.280 nan 0.000 0.524 163 L N -1.439 119.868 121.223 0.139 0.000 2.027 163 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 163 L C 2.278 179.162 176.870 0.022 0.000 1.074 163 L CA 0.794 55.678 54.840 0.073 0.000 0.745 163 L CB -0.832 41.265 42.059 0.062 0.000 0.898 163 L HN 0.035 nan 8.230 nan 0.000 0.433 164 V N -0.216 119.700 119.914 0.004 0.000 2.287 164 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 164 V C 2.602 178.673 176.094 -0.038 0.000 1.053 164 V CA 1.995 64.281 62.300 -0.023 0.000 1.027 164 V CB -0.544 31.265 31.823 -0.024 0.000 0.646 164 V HN 0.505 nan 8.190 nan 0.000 0.447 165 E N 0.032 120.194 120.200 -0.063 0.000 2.204 165 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 165 E C 2.165 178.723 176.600 -0.070 0.000 0.990 165 E CA 1.439 57.778 56.400 -0.102 0.000 0.821 165 E CB -0.017 29.552 29.700 -0.218 0.000 0.750 165 E HN 0.575 nan 8.360 nan 0.000 0.477 166 A N 0.220 123.020 122.820 -0.034 0.000 1.975 166 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 166 A C 2.354 179.934 177.584 -0.007 0.000 1.170 166 A CA 1.201 53.233 52.037 -0.008 0.000 0.656 166 A CB -0.597 18.421 19.000 0.030 0.000 0.821 166 A HN 0.354 nan 8.150 nan 0.000 0.449 167 G N 0.109 108.903 108.800 -0.010 0.000 2.414 167 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.215 167 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.215 167 G C 1.377 176.267 174.900 -0.016 0.000 1.188 167 G CA 1.068 46.161 45.100 -0.013 0.000 0.783 167 G HN 0.290 nan 8.290 nan 0.000 0.537 168 L N 0.639 121.847 121.223 -0.024 0.000 2.021 168 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 168 L C 2.924 179.780 176.870 -0.022 0.000 1.074 168 L CA 1.679 56.504 54.840 -0.026 0.000 0.760 168 L CB -0.911 41.126 42.059 -0.036 0.000 0.889 168 L HN 0.204 nan 8.230 nan 0.000 0.433 169 R N -1.605 118.880 120.500 -0.026 0.000 2.090 169 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 169 R C 2.173 178.466 176.300 -0.011 0.000 1.110 169 R CA 1.043 57.130 56.100 -0.021 0.000 0.973 169 R CB -0.348 29.936 30.300 -0.027 0.000 0.869 169 R HN 0.399 nan 8.270 nan 0.000 0.440 170 A N 0.896 123.711 122.820 -0.007 0.000 1.978 170 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 170 A C 1.960 179.545 177.584 0.000 0.000 1.170 170 A CA 1.705 53.741 52.037 -0.000 0.000 0.636 170 A CB -0.305 18.698 19.000 0.004 0.000 0.810 170 A HN 0.371 nan 8.150 nan 0.000 0.448 171 A N -1.190 121.629 122.820 -0.002 0.000 2.370 171 A HA 0.454 4.774 4.320 -0.000 0.000 0.238 171 A C 1.440 179.023 177.584 -0.002 0.000 1.289 171 A CA 0.780 52.817 52.037 0.001 0.000 0.885 171 A CB -1.250 17.751 19.000 0.001 0.000 0.961 171 A HN 1.849 nan 8.150 nan 0.000 0.499 172 G N 0.499 109.297 108.800 -0.004 0.000 2.338 172 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.296 172 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.296 172 G C -0.037 174.858 174.900 -0.009 0.000 1.040 172 G CA 0.166 45.262 45.100 -0.006 0.000 1.004 172 G HN 0.551 nan 8.290 nan 0.000 0.509 173 R N -0.707 119.785 120.500 -0.013 0.000 2.637 173 R HA 0.514 4.853 4.340 -0.000 0.000 0.291 173 R C 0.101 176.388 176.300 -0.022 0.000 0.963 173 R CA -0.915 55.176 56.100 -0.016 0.000 0.901 173 R CB 2.025 32.316 30.300 -0.016 0.000 1.160 173 R HN 0.113 nan 8.270 nan 0.000 0.457 174 V N 2.099 121.999 119.914 -0.022 0.000 2.508 174 V HA 0.346 4.466 4.120 -0.000 0.000 0.281 174 V C 0.427 176.500 176.094 -0.035 0.000 1.041 174 V CA -0.179 62.104 62.300 -0.028 0.000 1.016 174 V CB 0.903 32.711 31.823 -0.025 0.000 0.984 174 V HN 0.877 nan 8.190 nan 0.000 0.478 175 A N 4.096 126.889 122.820 -0.045 0.000 2.393 175 A HA 0.869 5.189 4.320 -0.000 0.000 0.306 175 A C 0.092 177.636 177.584 -0.067 0.000 1.050 175 A CA -0.151 51.852 52.037 -0.056 0.000 0.724 175 A CB 1.717 20.678 19.000 -0.064 0.000 1.248 175 A HN 1.001 nan 8.150 nan 0.000 0.424 176 G N 0.300 109.060 108.800 -0.068 0.000 2.417 176 G HA2 0.593 4.553 3.960 -0.000 0.000 0.334 176 G HA3 0.593 4.553 3.960 -0.000 0.000 0.334 176 G C -0.987 173.860 174.900 -0.089 0.000 1.150 176 G CA -0.482 44.574 45.100 -0.075 0.000 0.923 176 G HN 0.780 nan 8.290 nan 0.000 0.485 177 L N 0.771 121.930 121.223 -0.106 0.000 2.354 177 L HA 0.740 5.079 4.340 -0.000 0.000 0.264 177 L C -0.985 175.838 176.870 -0.079 0.000 1.008 177 L CA -1.085 53.682 54.840 -0.122 0.000 0.819 177 L CB 2.250 44.173 42.059 -0.228 0.000 1.339 177 L HN 0.384 nan 8.230 nan 0.000 0.420 178 I N 2.613 123.154 120.570 -0.049 0.000 2.586 178 I HA 0.669 4.839 4.170 -0.000 0.000 0.288 178 I C -0.184 175.934 176.117 0.002 0.000 1.147 178 I CA -0.304 60.983 61.300 -0.022 0.000 1.047 178 I CB 1.900 39.891 38.000 -0.016 0.000 1.244 178 I HN 0.722 nan 8.210 nan 0.000 0.429 179 G N 2.723 111.530 108.800 0.012 0.000 2.341 179 G HA2 0.231 4.191 3.960 -0.000 0.000 0.299 179 G HA3 0.231 4.191 3.960 -0.000 0.000 0.299 179 G C 0.183 175.095 174.900 0.020 0.000 1.274 179 G CA 0.071 45.187 45.100 0.026 0.000 0.853 179 G HN 0.376 nan 8.290 nan 0.000 0.493 180 T N 0.758 115.314 114.554 0.003 0.000 2.607 180 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 180 T C 2.409 177.090 174.700 -0.033 0.000 1.049 180 T CA 2.007 64.100 62.100 -0.013 0.000 1.162 180 T CB -0.396 68.436 68.868 -0.060 0.000 0.863 180 T HN 0.389 nan 8.240 nan 0.000 0.424 181 I N 0.836 121.312 120.570 -0.156 0.000 2.264 181 I HA 0.034 4.204 4.170 -0.000 0.000 0.248 181 I C 1.672 177.817 176.117 0.047 0.000 1.111 181 I CA 1.170 62.386 61.300 -0.141 0.000 1.382 181 I CB -0.563 37.309 38.000 -0.214 0.000 1.060 181 I HN 0.502 nan 8.210 nan 0.000 0.418 182 G N -0.112 108.715 108.800 0.044 0.000 2.392 182 G HA2 0.435 4.395 3.960 -0.000 0.000 0.260 182 G HA3 0.435 4.395 3.960 -0.000 0.000 0.260 182 G C -1.833 173.076 174.900 0.015 0.000 1.226 182 G CA -0.646 44.477 45.100 0.039 0.000 0.913 182 G HN -0.065 nan 8.290 nan 0.000 0.483 183 I N 0.514 121.085 120.570 0.001 0.000 2.533 183 I HA 0.587 4.757 4.170 -0.000 0.000 0.290 183 I C -0.183 175.914 176.117 -0.033 0.000 1.056 183 I CA -0.423 60.864 61.300 -0.022 0.000 1.057 183 I CB 2.326 40.312 38.000 -0.025 0.000 1.240 183 I HN 0.372 nan 8.210 nan 0.000 0.423 184 R N 4.905 125.370 120.500 -0.058 0.000 2.360 184 R HA 0.615 4.955 4.340 -0.000 0.000 0.318 184 R C -1.235 175.028 176.300 -0.062 0.000 0.950 184 R CA -0.689 55.372 56.100 -0.064 0.000 0.837 184 R CB 1.866 32.106 30.300 -0.100 0.000 1.165 184 R HN 0.300 nan 8.270 nan 0.000 0.458 185 V N 4.393 124.278 119.914 -0.048 0.000 2.218 185 V HA 0.259 4.379 4.120 -0.000 0.000 0.261 185 V C 1.251 177.320 176.094 -0.042 0.000 1.142 185 V CA 0.472 62.745 62.300 -0.046 0.000 0.965 185 V CB 0.069 31.869 31.823 -0.039 0.000 1.190 185 V HN 1.155 nan 8.190 nan 0.000 0.478 186 G N 4.888 113.659 108.800 -0.048 0.000 3.099 186 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.331 186 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.331 186 G C 1.117 175.992 174.900 -0.041 0.000 1.216 186 G CA 0.818 45.891 45.100 -0.043 0.000 0.977 186 G HN 1.040 nan 8.290 nan 0.000 0.600 187 G N 0.918 109.700 108.800 -0.030 0.000 2.608 187 G HA2 0.586 4.546 3.960 -0.000 0.000 0.210 187 G HA3 0.586 4.546 3.960 -0.000 0.000 0.210 187 G C 1.120 176.009 174.900 -0.019 0.000 1.139 187 G CA 1.481 46.567 45.100 -0.023 0.000 0.812 187 G HN 1.865 nan 8.290 nan 0.000 0.529 188 A N 0.233 123.041 122.820 -0.021 0.000 2.536 188 A HA 0.400 4.720 4.320 -0.000 0.000 0.234 188 A C -0.009 177.565 177.584 -0.018 0.000 1.076 188 A CA 0.536 52.562 52.037 -0.017 0.000 0.769 188 A CB 0.194 19.182 19.000 -0.020 0.000 1.020 188 A HN 0.145 nan 8.150 nan 0.000 0.508 189 D N 0.894 121.288 120.400 -0.010 0.000 2.968 189 D HA 0.256 4.896 4.640 -0.000 0.000 0.301 189 D C -0.380 175.921 176.300 0.003 0.000 1.226 189 D CA -0.101 53.898 54.000 -0.002 0.000 0.746 189 D CB 0.142 40.947 40.800 0.008 0.000 1.278 189 D HN 0.473 nan 8.370 nan 0.000 0.544 190 L N 1.037 122.257 121.223 -0.004 0.000 2.473 190 L HA 0.351 4.691 4.340 -0.000 0.000 0.268 190 L C -1.954 174.922 176.870 0.009 0.000 1.215 190 L CA -1.177 53.663 54.840 -0.001 0.000 0.823 190 L CB -0.135 41.918 42.059 -0.010 0.000 1.099 190 L HN -0.021 nan 8.230 nan 0.000 0.483 191 P HA 0.245 nan 4.420 nan 0.000 0.290 191 P C -1.288 176.021 177.300 0.016 0.000 1.283 191 P CA -0.693 62.421 63.100 0.022 0.000 0.869 191 P CB 1.677 33.392 31.700 0.024 0.000 1.100 192 S N -0.040 115.674 115.700 0.024 0.000 2.475 192 S HA 0.627 5.097 4.470 -0.000 0.000 0.298 192 S C 1.038 175.652 174.600 0.022 0.000 1.119 192 S CA -0.309 57.901 58.200 0.017 0.000 1.085 192 S CB 1.541 64.752 63.200 0.018 0.000 1.028 192 S HN 0.466 nan 8.310 nan 0.000 0.489 193 A N 3.600 126.427 122.820 0.010 0.000 1.855 193 A HA 0.256 4.576 4.320 -0.000 0.000 0.215 193 A C 0.820 178.409 177.584 0.007 0.000 1.191 193 A CA 0.703 52.745 52.037 0.008 0.000 0.613 193 A CB -0.722 18.276 19.000 -0.002 0.000 0.829 193 A HN 0.829 nan 8.150 nan 0.000 0.442 194 L N -2.488 118.732 121.223 -0.004 0.000 2.331 194 L HA 0.361 4.700 4.340 -0.000 0.000 0.268 194 L C 1.396 178.266 176.870 0.000 0.000 1.015 194 L CA -0.548 54.282 54.840 -0.016 0.000 0.807 194 L CB 1.199 43.234 42.059 -0.040 0.000 1.293 194 L HN 0.101 nan 8.230 nan 0.000 0.451 195 T N -1.121 113.433 114.554 -0.000 0.000 2.851 195 T HA -0.030 4.320 4.350 -0.000 0.000 0.262 195 T C 0.502 175.209 174.700 0.012 0.000 1.043 195 T CA 1.132 63.243 62.100 0.018 0.000 1.140 195 T CB 0.009 68.898 68.868 0.034 0.000 0.872 195 T HN 0.588 nan 8.240 nan 0.000 0.446 196 T N 3.461 118.015 114.554 0.000 0.000 2.815 196 T HA 0.457 4.807 4.350 -0.000 0.000 0.289 196 T C -2.754 171.943 174.700 -0.004 0.000 1.000 196 T CA -1.348 60.757 62.100 0.010 0.000 0.958 196 T CB 2.091 70.975 68.868 0.025 0.000 0.944 196 T HN -0.034 nan 8.240 nan 0.000 0.442 197 P HA 0.223 nan 4.420 nan 0.000 0.274 197 P C 0.076 177.373 177.300 -0.005 0.000 1.237 197 P CA -0.627 62.466 63.100 -0.011 0.000 0.793 197 P CB 0.557 32.246 31.700 -0.018 0.000 0.977 198 E N 0.635 120.831 120.200 -0.006 0.000 2.437 198 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 198 E C 1.466 178.070 176.600 0.006 0.000 1.030 198 E CA 0.237 56.639 56.400 0.003 0.000 0.934 198 E CB 0.333 30.037 29.700 0.007 0.000 0.943 198 E HN 0.449 nan 8.360 nan 0.000 0.444 199 A N 5.919 128.749 122.820 0.016 0.000 1.903 199 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 199 A C -0.485 177.110 177.584 0.018 0.000 1.191 199 A CA 1.805 53.854 52.037 0.019 0.000 0.638 199 A CB -1.498 17.518 19.000 0.027 0.000 0.823 199 A HN 0.463 nan 8.150 nan 0.000 0.451 200 P HA -0.083 nan 4.420 nan 0.000 0.217 200 P C 1.530 178.815 177.300 -0.024 0.000 1.150 200 P CA 1.758 64.902 63.100 0.075 0.000 0.832 200 P CB -0.298 31.468 31.700 0.111 0.000 0.787 201 T N -0.090 114.445 114.554 -0.032 0.000 2.708 201 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 201 T C 1.692 176.324 174.700 -0.115 0.000 1.037 201 T CA 0.961 63.016 62.100 -0.075 0.000 1.146 201 T CB -0.923 67.921 68.868 -0.039 0.000 0.865 201 T HN -0.033 nan 8.240 nan 0.000 0.435 202 L N 1.330 122.507 121.223 -0.077 0.000 1.989 202 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 202 L C 2.524 179.315 176.870 -0.132 0.000 1.071 202 L CA 1.796 56.588 54.840 -0.081 0.000 0.749 202 L CB -0.662 41.373 42.059 -0.039 0.000 0.890 202 L HN 0.124 nan 8.230 nan 0.000 0.431 203 Q N -0.352 119.367 119.800 -0.135 0.000 2.061 203 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 203 Q C 2.324 178.090 176.000 -0.389 0.000 0.984 203 Q CA 1.887 57.590 55.803 -0.165 0.000 0.846 203 Q CB -0.853 27.873 28.738 -0.020 0.000 0.902 203 Q HN 0.676 nan 8.270 nan 0.000 0.421 204 A N 0.330 122.737 122.820 -0.688 0.000 1.930 204 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 204 A C 2.206 179.542 177.584 -0.413 0.000 1.175 204 A CA 1.387 52.860 52.037 -0.940 0.000 0.627 204 A CB -0.480 17.960 19.000 -0.933 0.000 0.815 204 A HN 0.304 nan 8.150 nan 0.000 0.443 205 M N -0.608 118.834 119.600 -0.264 0.000 2.086 205 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 205 M C 2.082 178.298 176.300 -0.139 0.000 1.067 205 M CA 1.425 56.629 55.300 -0.161 0.000 1.116 205 M CB -0.381 32.149 32.600 -0.117 0.000 1.348 205 M HN 0.421 nan 8.290 nan 0.000 0.407 206 L N -0.624 120.511 121.223 -0.146 0.000 2.012 206 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 206 L C 2.746 179.555 176.870 -0.101 0.000 1.073 206 L CA 1.379 56.149 54.840 -0.116 0.000 0.748 206 L CB -1.009 40.980 42.059 -0.117 0.000 0.891 206 L HN 0.334 nan 8.230 nan 0.000 0.431 207 A N 0.045 122.789 122.820 -0.127 0.000 1.908 207 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 207 A C 2.502 180.049 177.584 -0.062 0.000 1.181 207 A CA 2.011 54.002 52.037 -0.076 0.000 0.627 207 A CB -0.725 18.229 19.000 -0.077 0.000 0.818 207 A HN 0.443 nan 8.150 nan 0.000 0.445 208 A N -0.877 121.889 122.820 -0.090 0.000 1.930 208 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 208 A C 2.230 179.784 177.584 -0.050 0.000 1.175 208 A CA 1.639 53.639 52.037 -0.063 0.000 0.627 208 A CB -0.500 18.455 19.000 -0.075 0.000 0.815 208 A HN 0.531 nan 8.150 nan 0.000 0.443 209 M N -0.657 118.907 119.600 -0.059 0.000 2.213 209 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 209 M C 2.039 178.315 176.300 -0.040 0.000 1.062 209 M CA 1.082 56.352 55.300 -0.050 0.000 1.105 209 M CB -0.390 32.175 32.600 -0.058 0.000 1.385 209 M HN 0.268 nan 8.290 nan 0.000 0.417 210 V N 0.585 120.476 119.914 -0.038 0.000 2.295 210 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 210 V C 2.093 178.175 176.094 -0.019 0.000 1.049 210 V CA 1.941 64.226 62.300 -0.025 0.000 1.024 210 V CB -0.738 31.074 31.823 -0.018 0.000 0.648 210 V HN 0.485 nan 8.190 nan 0.000 0.447 211 E N -0.220 119.970 120.200 -0.017 0.000 2.110 211 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 211 E C 2.195 178.786 176.600 -0.015 0.000 0.988 211 E CA 0.724 57.117 56.400 -0.012 0.000 0.804 211 E CB -0.174 29.520 29.700 -0.009 0.000 0.745 211 E HN 0.385 nan 8.360 nan 0.000 0.458 212 R N -0.204 120.284 120.500 -0.021 0.000 2.328 212 R HA -0.014 4.326 4.340 -0.000 0.000 0.200 212 R C 1.081 177.369 176.300 -0.020 0.000 0.983 212 R CA 0.711 56.799 56.100 -0.021 0.000 1.062 212 R CB 0.188 30.473 30.300 -0.026 0.000 0.956 212 R HN 0.364 nan 8.270 nan 0.000 0.479 213 G N 0.574 109.363 108.800 -0.019 0.000 2.184 213 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 213 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 213 G C 0.355 175.243 174.900 -0.021 0.000 0.975 213 G CA 0.323 45.413 45.100 -0.018 0.000 0.642 213 G HN 0.194 nan 8.290 nan 0.000 0.536 214 V N 1.358 121.256 119.914 -0.027 0.000 2.694 214 V HA 0.301 4.421 4.120 -0.000 0.000 0.306 214 V C 1.491 177.567 176.094 -0.030 0.000 1.054 214 V CA 1.582 63.863 62.300 -0.032 0.000 1.161 214 V CB 1.299 33.098 31.823 -0.039 0.000 0.916 214 V HN 0.685 nan 8.190 nan 0.000 0.490 215 D N 2.212 122.595 120.400 -0.029 0.000 2.379 215 D HA 0.041 4.681 4.640 -0.000 0.000 0.218 215 D C 0.496 176.778 176.300 -0.029 0.000 1.006 215 D CA 0.260 54.245 54.000 -0.026 0.000 0.893 215 D CB 0.432 41.220 40.800 -0.020 0.000 1.019 215 D HN 0.554 nan 8.370 nan 0.000 0.503 216 T N 0.168 114.703 114.554 -0.033 0.000 2.876 216 T HA 0.585 4.935 4.350 -0.000 0.000 0.289 216 T C -1.150 173.525 174.700 -0.041 0.000 1.014 216 T CA -0.704 61.376 62.100 -0.033 0.000 0.986 216 T CB 2.448 71.300 68.868 -0.027 0.000 1.021 216 T HN -0.108 nan 8.240 nan 0.000 0.458 217 V N 2.793 122.681 119.914 -0.043 0.000 2.531 217 V HA 0.610 4.730 4.120 -0.000 0.000 0.301 217 V C -0.466 175.612 176.094 -0.027 0.000 1.034 217 V CA -0.820 61.453 62.300 -0.046 0.000 0.865 217 V CB 1.909 33.696 31.823 -0.060 0.000 0.995 217 V HN 0.710 nan 8.190 nan 0.000 0.424 218 V N 7.080 126.976 119.914 -0.031 0.000 2.398 218 V HA 0.697 4.817 4.120 -0.000 0.000 0.286 218 V C -0.457 175.636 176.094 -0.001 0.000 1.026 218 V CA -0.191 62.103 62.300 -0.010 0.000 0.868 218 V CB 1.506 33.313 31.823 -0.027 0.000 0.982 218 V HN 0.902 nan 8.190 nan 0.000 0.443 219 M N 4.972 124.598 119.600 0.043 0.000 2.464 219 M HA 0.535 5.014 4.480 -0.000 0.000 0.308 219 M C -0.602 175.734 176.300 0.061 0.000 1.127 219 M CA -0.526 54.809 55.300 0.058 0.000 0.913 219 M CB 2.620 35.297 32.600 0.129 0.000 1.689 219 M HN 0.651 nan 8.290 nan 0.000 0.445 220 E N 1.646 121.874 120.200 0.047 0.000 2.289 220 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 220 E C -1.141 175.486 176.600 0.045 0.000 1.032 220 E CA -0.271 56.154 56.400 0.042 0.000 0.854 220 E CB 1.365 31.088 29.700 0.039 0.000 1.046 220 E HN 0.319 nan 8.360 nan 0.000 0.409 221 V N 4.042 123.972 119.914 0.026 0.000 2.266 221 V HA 0.076 4.195 4.120 -0.000 0.000 0.271 221 V C 0.276 176.379 176.094 0.014 0.000 1.032 221 V CA -0.717 61.590 62.300 0.012 0.000 0.806 221 V CB 0.665 32.452 31.823 -0.061 0.000 1.052 221 V HN 0.715 nan 8.190 nan 0.000 0.449 222 S N 3.073 118.792 115.700 0.031 0.000 2.576 222 S HA 0.089 4.559 4.470 -0.000 0.000 0.272 222 S C 1.511 176.154 174.600 0.070 0.000 1.352 222 S CA 0.281 58.508 58.200 0.045 0.000 1.021 222 S CB 1.252 64.462 63.200 0.017 0.000 0.887 222 S HN 1.028 nan 8.310 nan 0.000 0.542 223 S N 0.527 116.302 115.700 0.124 0.000 2.489 223 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 223 S C 1.388 176.123 174.600 0.224 0.000 0.995 223 S CA 0.761 59.093 58.200 0.220 0.000 0.934 223 S CB -0.867 62.566 63.200 0.389 0.000 0.771 223 S HN 0.872 nan 8.310 nan 0.000 0.522 224 H N 2.110 121.142 119.070 -0.064 0.000 2.326 224 H HA 0.232 4.788 4.556 -0.000 0.000 0.301 224 H C 2.546 177.806 175.328 -0.112 0.000 1.081 224 H CA 1.722 57.577 56.048 -0.322 0.000 1.334 224 H CB -0.536 28.877 29.762 -0.581 0.000 1.385 224 H HN 0.556 nan 8.280 nan 0.000 0.504 225 A N 0.404 123.264 122.820 0.066 0.000 1.978 225 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 225 A C 2.213 179.839 177.584 0.070 0.000 1.170 225 A CA 1.402 53.470 52.037 0.053 0.000 0.636 225 A CB -0.694 18.331 19.000 0.042 0.000 0.810 225 A HN 0.338 nan 8.150 nan 0.000 0.448 226 L N -1.125 120.145 121.223 0.078 0.000 2.131 226 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 226 L C 2.975 179.912 176.870 0.112 0.000 1.087 226 L CA 0.911 55.794 54.840 0.072 0.000 0.767 226 L CB -0.452 41.632 42.059 0.042 0.000 0.917 226 L HN 0.364 nan 8.230 nan 0.000 0.441 227 A N -0.207 122.717 122.820 0.174 0.000 1.930 227 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 227 A C 1.690 179.382 177.584 0.181 0.000 1.175 227 A CA 1.119 53.290 52.037 0.222 0.000 0.627 227 A CB -0.257 18.976 19.000 0.389 0.000 0.815 227 A HN 0.270 nan 8.150 nan 0.000 0.443 228 L N -0.478 120.838 121.223 0.155 0.000 2.791 228 L HA 0.271 4.611 4.340 -0.000 0.000 0.239 228 L C 1.460 178.377 176.870 0.078 0.000 1.203 228 L CA 0.691 55.604 54.840 0.121 0.000 1.002 228 L CB -1.362 40.764 42.059 0.113 0.000 1.295 228 L HN 0.539 nan 8.230 nan 0.000 0.504 229 G N 0.884 109.731 108.800 0.078 0.000 2.361 229 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.294 229 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.294 229 G C 1.403 176.338 174.900 0.058 0.000 1.004 229 G CA 0.772 45.911 45.100 0.065 0.000 0.870 229 G HN 0.430 nan 8.290 nan 0.000 0.510 230 R N -0.863 119.672 120.500 0.057 0.000 2.193 230 R HA 0.008 4.348 4.340 -0.000 0.000 0.229 230 R C 2.339 178.677 176.300 0.064 0.000 1.110 230 R CA 1.567 57.696 56.100 0.049 0.000 0.988 230 R CB -0.078 30.244 30.300 0.038 0.000 0.871 230 R HN 0.909 nan 8.270 nan 0.000 0.458 231 V N -2.561 117.411 119.914 0.097 0.000 3.099 231 V HA 0.157 4.277 4.120 -0.000 0.000 0.356 231 V C 0.562 176.741 176.094 0.141 0.000 1.364 231 V CA 0.029 62.420 62.300 0.152 0.000 1.229 231 V CB 0.535 32.530 31.823 0.286 0.000 1.227 231 V HN -0.096 nan 8.190 nan 0.000 0.493 232 D N 3.131 123.584 120.400 0.088 0.000 2.117 232 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 232 D C 2.088 178.429 176.300 0.068 0.000 0.987 232 D CA 2.122 56.168 54.000 0.077 0.000 0.829 232 D CB -0.131 40.701 40.800 0.053 0.000 0.961 232 D HN 0.616 nan 8.370 nan 0.000 0.460 233 G N -0.592 108.238 108.800 0.049 0.000 3.088 233 G HA2 0.005 3.965 3.960 -0.000 0.000 0.212 233 G HA3 0.005 3.965 3.960 -0.000 0.000 0.212 233 G C 0.329 175.240 174.900 0.019 0.000 1.173 233 G CA 0.006 45.137 45.100 0.051 0.000 0.779 233 G HN 0.094 nan 8.290 nan 0.000 0.540 234 T N 1.345 115.880 114.554 -0.032 0.000 2.780 234 T HA 0.554 4.904 4.350 -0.000 0.000 0.294 234 T C 0.508 175.067 174.700 -0.236 0.000 0.949 234 T CA -0.327 61.641 62.100 -0.221 0.000 1.074 234 T CB 1.107 69.714 68.868 -0.435 0.000 0.910 234 T HN 0.439 nan 8.240 nan 0.000 0.501 235 R N 2.733 123.082 120.500 -0.251 0.000 2.234 235 R HA 0.538 4.878 4.340 -0.000 0.000 0.324 235 R C -0.680 175.436 176.300 -0.307 0.000 1.054 235 R CA -0.400 55.605 56.100 -0.158 0.000 0.912 235 R CB -0.551 29.697 30.300 -0.086 0.000 1.030 235 R HN 0.687 nan 8.270 nan 0.000 0.455 236 F N 1.848 121.772 119.950 -0.044 0.000 2.405 236 F HA 0.455 4.982 4.527 -0.000 0.000 0.355 236 F C 1.518 177.292 175.800 -0.043 0.000 1.121 236 F CA -0.075 57.893 58.000 -0.054 0.000 1.112 236 F CB 2.120 41.067 39.000 -0.088 0.000 1.126 236 F HN 0.698 nan 8.300 nan 0.000 0.481 237 A N 2.820 125.703 122.820 0.104 0.000 1.969 237 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 237 A C 0.457 178.092 177.584 0.085 0.000 1.169 237 A CA 0.967 53.044 52.037 0.068 0.000 0.635 237 A CB -0.026 18.994 19.000 0.034 0.000 0.810 237 A HN 0.458 nan 8.150 nan 0.000 0.445 238 V N -1.725 118.259 119.914 0.117 0.000 2.891 238 V HA 0.597 4.716 4.120 -0.000 0.000 0.304 238 V C -0.096 176.032 176.094 0.056 0.000 1.171 238 V CA -0.240 62.110 62.300 0.084 0.000 0.943 238 V CB 1.810 33.677 31.823 0.073 0.000 1.037 238 V HN 0.419 nan 8.190 nan 0.000 0.427 239 G N 2.167 110.954 108.800 -0.021 0.000 2.478 239 G HA2 0.783 4.743 3.960 -0.000 0.000 0.317 239 G HA3 0.783 4.743 3.960 -0.000 0.000 0.317 239 G C -0.641 174.385 174.900 0.211 0.000 1.259 239 G CA -0.114 44.887 45.100 -0.166 0.000 0.933 239 G HN 1.142 nan 8.290 nan 0.000 0.478 240 A N 1.794 124.761 122.820 0.245 0.000 2.340 240 A HA 0.807 5.127 4.320 -0.000 0.000 0.331 240 A C -1.566 176.291 177.584 0.455 0.000 1.140 240 A CA -0.717 51.521 52.037 0.335 0.000 0.801 240 A CB 1.481 20.566 19.000 0.142 0.000 1.234 240 A HN 0.928 nan 8.150 nan 0.000 0.469 241 F N 2.424 122.427 119.950 0.088 0.000 2.403 241 F HA 0.398 4.925 4.527 -0.000 0.000 0.355 241 F C 1.411 177.168 175.800 -0.071 0.000 1.119 241 F CA 0.099 58.044 58.000 -0.091 0.000 1.007 241 F CB 1.780 40.472 39.000 -0.513 0.000 1.194 241 F HN 0.734 nan 8.300 nan 0.000 0.443 242 T N 1.835 116.079 114.554 -0.517 0.000 2.684 242 T HA 0.158 4.508 4.350 -0.000 0.000 0.253 242 T C 0.187 174.590 174.700 -0.496 0.000 1.057 242 T CA 1.318 63.192 62.100 -0.376 0.000 1.162 242 T CB -0.440 68.271 68.868 -0.262 0.000 0.868 242 T HN 0.684 nan 8.240 nan 0.000 0.409 243 N N -0.742 117.445 118.700 -0.855 0.000 3.261 243 N HA 0.550 5.290 4.740 -0.000 0.000 0.248 243 N C -2.200 173.099 175.510 -0.352 0.000 1.498 243 N CA -1.091 51.720 53.050 -0.400 0.000 0.884 243 N CB 1.246 39.641 38.487 -0.153 0.000 1.428 243 N HN 0.400 nan 8.380 nan 0.000 0.517 244 L N 0.191 121.443 121.223 0.050 0.000 2.470 244 L HA 0.848 5.188 4.340 -0.000 0.000 0.268 244 L C -1.258 175.676 176.870 0.106 0.000 0.964 244 L CA 0.068 54.966 54.840 0.097 0.000 0.839 244 L CB 1.818 44.022 42.059 0.241 0.000 1.276 244 L HN 1.058 nan 8.230 nan 0.000 0.403 245 S N 2.202 117.985 115.700 0.138 0.000 2.651 245 S HA 0.840 5.310 4.470 -0.000 0.000 0.279 245 S C -0.225 174.508 174.600 0.221 0.000 1.148 245 S CA -0.449 57.833 58.200 0.136 0.000 0.837 245 S CB 1.522 64.760 63.200 0.063 0.000 1.138 245 S HN 0.939 nan 8.310 nan 0.000 0.478 246 R N 0.872 121.455 120.500 0.137 0.000 2.770 246 R HA 0.372 4.712 4.340 -0.000 0.000 0.361 246 R C -0.370 175.936 176.300 0.010 0.000 0.860 246 R CA 0.885 57.040 56.100 0.092 0.000 1.071 246 R CB -1.956 28.363 30.300 0.032 0.000 0.907 246 R HN 0.780 nan 8.270 nan 0.000 0.403 247 D N -0.709 119.650 120.400 -0.068 0.000 2.570 247 D HA 0.401 5.041 4.640 -0.000 0.000 0.244 247 D C -0.052 175.950 176.300 -0.497 0.000 1.178 247 D CA -0.339 53.489 54.000 -0.287 0.000 0.881 247 D CB 0.901 41.598 40.800 -0.172 0.000 1.453 247 D HN 0.602 nan 8.370 nan 0.000 0.447 248 H N 0.768 119.698 119.070 -0.232 0.000 2.921 248 H HA -0.163 4.393 4.556 -0.000 0.000 0.281 248 H C 0.386 175.679 175.328 -0.058 0.000 1.165 248 H CA 0.218 56.200 56.048 -0.109 0.000 1.151 248 H CB -1.051 28.672 29.762 -0.065 0.000 1.311 248 H HN 0.168 nan 8.280 nan 0.000 0.361 249 L N 2.400 123.597 121.223 -0.044 0.000 2.855 249 L HA 0.059 4.399 4.340 -0.000 0.000 0.245 249 L C 1.231 178.117 176.870 0.027 0.000 1.276 249 L CA 1.097 55.937 54.840 -0.001 0.000 1.118 249 L CB -0.166 41.877 42.059 -0.028 0.000 1.444 249 L HN 0.363 nan 8.230 nan 0.000 0.440 250 D N -4.070 116.375 120.400 0.075 0.000 2.525 250 D HA -0.035 4.605 4.640 -0.000 0.000 0.231 250 D C 1.194 177.579 176.300 0.141 0.000 1.216 250 D CA -0.111 53.934 54.000 0.075 0.000 0.813 250 D CB -0.388 40.448 40.800 0.060 0.000 1.108 250 D HN 0.202 nan 8.370 nan 0.000 0.524 251 F N 0.968 120.909 119.950 -0.016 0.000 2.532 251 F HA 0.278 4.804 4.527 -0.001 0.000 0.276 251 F C 0.461 176.147 175.800 -0.190 0.000 0.911 251 F CA 0.010 57.943 58.000 -0.112 0.000 1.196 251 F CB 0.244 39.122 39.000 -0.203 0.000 1.087 251 F HN -0.235 nan 8.300 nan 0.000 0.775 252 H N 2.970 121.959 119.070 -0.136 0.000 2.683 252 H HA 0.170 4.726 4.556 0.000 0.000 0.339 252 H C -1.623 173.621 175.328 -0.139 0.000 1.081 252 H CA -1.174 54.753 56.048 -0.202 0.000 1.432 252 H CB 0.854 30.638 29.762 0.036 0.000 1.462 252 H HN 0.152 nan 8.280 nan 0.000 0.557 253 P HA -0.043 nan 4.420 nan 0.000 0.236 253 P C -0.241 177.073 177.300 0.024 0.000 1.177 253 P CA 0.487 63.571 63.100 -0.027 0.000 0.773 253 P CB 0.651 32.318 31.700 -0.056 0.000 0.878 254 S N -2.635 113.107 115.700 0.069 0.000 2.547 254 S HA 0.369 4.839 4.470 -0.000 0.000 0.270 254 S C 0.742 175.414 174.600 0.120 0.000 1.150 254 S CA -0.798 57.446 58.200 0.073 0.000 0.850 254 S CB 0.649 63.880 63.200 0.052 0.000 1.118 254 S HN -0.336 nan 8.310 nan 0.000 0.461 255 M N 1.412 121.082 119.600 0.117 0.000 2.202 255 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 255 M C 2.355 178.757 176.300 0.169 0.000 1.063 255 M CA 2.134 57.541 55.300 0.179 0.000 1.097 255 M CB -1.957 30.717 32.600 0.122 0.000 1.382 255 M HN 0.987 nan 8.290 nan 0.000 0.413 256 A N 0.598 123.482 122.820 0.108 0.000 1.841 256 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 256 A C 1.916 179.588 177.584 0.147 0.000 1.199 256 A CA 2.056 54.157 52.037 0.106 0.000 0.621 256 A CB -0.902 18.137 19.000 0.065 0.000 0.835 256 A HN 0.401 nan 8.150 nan 0.000 0.445 257 D N -1.751 118.722 120.400 0.122 0.000 2.149 257 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 257 D C 1.681 178.021 176.300 0.067 0.000 0.990 257 D CA 1.599 55.673 54.000 0.123 0.000 0.839 257 D CB -0.387 40.500 40.800 0.145 0.000 0.948 257 D HN 0.552 nan 8.370 nan 0.000 0.460 258 Y N 0.731 120.910 120.300 -0.202 0.000 2.128 258 Y HA -0.237 4.313 4.550 0.000 0.000 0.284 258 Y C 2.129 177.939 175.900 -0.150 0.000 1.154 258 Y CA 1.123 58.905 58.100 -0.529 0.000 1.149 258 Y CB -0.986 37.291 38.460 -0.305 0.000 0.976 258 Y HN -0.045 nan 8.280 nan 0.000 0.505 259 F N 1.013 120.845 119.950 -0.197 0.000 2.051 259 F HA -0.205 4.322 4.527 -0.000 0.000 0.296 259 F C 2.328 178.066 175.800 -0.104 0.000 1.122 259 F CA 2.129 60.015 58.000 -0.190 0.000 1.201 259 F CB -0.363 38.566 39.000 -0.118 0.000 0.978 259 F HN -0.026 nan 8.300 nan 0.000 0.472 260 E N 1.349 121.585 120.200 0.060 0.000 2.114 260 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 260 E C 1.440 178.004 176.600 -0.061 0.000 1.008 260 E CA 0.940 57.337 56.400 -0.005 0.000 0.810 260 E CB -1.341 28.410 29.700 0.084 0.000 0.739 260 E HN 0.460 nan 8.360 nan 0.000 0.456 264 S N -0.043 115.613 115.700 -0.073 0.000 2.603 264 S HA 0.110 4.580 4.470 -0.000 0.000 0.229 264 S C 1.308 175.822 174.600 -0.142 0.000 0.972 264 S CA 1.275 59.434 58.200 -0.069 0.000 0.935 264 S CB -0.029 63.144 63.200 -0.045 0.000 0.769 264 S HN 0.706 nan 8.310 nan 0.000 0.536 265 L N -0.707 120.365 121.223 -0.251 0.000 2.513 265 L HA 0.537 4.877 4.340 -0.000 0.000 0.222 265 L C 0.745 177.158 176.870 -0.761 0.000 1.096 265 L CA 0.944 55.414 54.840 -0.616 0.000 0.857 265 L CB -0.254 41.260 42.059 -0.909 0.000 1.026 265 L HN 0.341 nan 8.230 nan 0.000 0.469 266 F N -2.320 117.552 119.950 -0.129 0.000 2.778 266 F HA 0.274 4.800 4.527 -0.000 0.000 0.314 266 F C 0.856 176.611 175.800 -0.075 0.000 1.073 266 F CA -0.844 57.097 58.000 -0.099 0.000 1.218 266 F CB -0.078 38.846 39.000 -0.127 0.000 1.037 266 F HN -0.191 nan 8.300 nan 0.000 0.594 267 D N 3.538 123.989 120.400 0.084 0.000 2.502 267 D HA -0.027 4.613 4.640 -0.000 0.000 0.249 267 D C -1.691 174.626 176.300 0.029 0.000 1.188 267 D CA -0.842 53.184 54.000 0.043 0.000 0.890 267 D CB 1.328 42.138 40.800 0.016 0.000 1.140 267 D HN 0.004 nan 8.370 nan 0.000 0.505 268 P HA -0.135 nan 4.420 nan 0.000 0.216 268 P C 0.711 178.022 177.300 0.019 0.000 1.153 268 P CA 1.073 64.191 63.100 0.029 0.000 0.858 268 P CB 0.291 32.009 31.700 0.030 0.000 0.789 269 D N -1.170 119.241 120.400 0.018 0.000 2.355 269 D HA 0.003 4.643 4.640 -0.000 0.000 0.218 269 D C 0.753 177.060 176.300 0.011 0.000 1.004 269 D CA 0.454 54.462 54.000 0.014 0.000 0.880 269 D CB 0.035 40.844 40.800 0.015 0.000 0.911 269 D HN 0.143 nan 8.370 nan 0.000 0.528 270 S N -0.107 115.597 115.700 0.006 0.000 2.572 270 S HA 0.262 4.732 4.470 -0.000 0.000 0.279 270 S C 1.405 176.007 174.600 0.003 0.000 1.341 270 S CA -0.113 58.088 58.200 0.001 0.000 1.043 270 S CB 1.651 64.842 63.200 -0.016 0.000 0.887 270 S HN 0.170 nan 8.310 nan 0.000 0.516 271 A N 4.760 127.586 122.820 0.010 0.000 1.883 271 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 271 A C 1.947 179.548 177.584 0.029 0.000 1.186 271 A CA 1.250 53.299 52.037 0.020 0.000 0.624 271 A CB -0.694 18.322 19.000 0.027 0.000 0.822 271 A HN 0.739 nan 8.150 nan 0.000 0.444 272 L N -0.649 120.585 121.223 0.017 0.000 2.376 272 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 272 L C 1.214 178.075 176.870 -0.015 0.000 1.133 272 L CA 0.505 55.364 54.840 0.030 0.000 0.816 272 L CB -1.605 40.435 42.059 -0.033 0.000 0.933 272 L HN 0.441 nan 8.230 nan 0.000 0.449 273 R N 2.014 122.486 120.500 -0.047 0.000 2.504 273 R HA -0.036 4.304 4.340 -0.000 0.000 0.302 273 R C 0.124 176.403 176.300 -0.035 0.000 0.893 273 R CA 0.542 56.598 56.100 -0.074 0.000 1.138 273 R CB -0.220 30.066 30.300 -0.024 0.000 0.880 273 R HN 0.227 nan 8.270 nan 0.000 0.415 274 A N 5.243 128.005 122.820 -0.096 0.000 2.425 274 A HA 0.150 4.470 4.320 -0.000 0.000 0.242 274 A C 0.964 178.565 177.584 0.028 0.000 1.077 274 A CA -0.155 51.884 52.037 0.004 0.000 0.781 274 A CB 0.354 19.323 19.000 -0.052 0.000 1.020 274 A HN 0.904 nan 8.150 nan 0.000 0.494 275 R N -0.130 120.401 120.500 0.052 0.000 2.105 275 R HA -0.084 4.256 4.340 -0.000 0.000 0.239 275 R C -0.138 176.190 176.300 0.046 0.000 1.135 275 R CA 1.712 57.837 56.100 0.042 0.000 0.967 275 R CB -0.307 30.016 30.300 0.038 0.000 0.861 275 R HN 0.811 nan 8.270 nan 0.000 0.442 276 T N -0.505 114.083 114.554 0.056 0.000 2.893 276 T HA 0.593 4.942 4.350 -0.000 0.000 0.293 276 T C -0.989 173.767 174.700 0.093 0.000 1.027 276 T CA -0.731 61.412 62.100 0.072 0.000 0.988 276 T CB 2.303 71.214 68.868 0.072 0.000 1.043 276 T HN 0.143 nan 8.240 nan 0.000 0.461 277 A N 2.083 124.986 122.820 0.140 0.000 2.317 277 A HA 0.801 5.121 4.320 -0.000 0.000 0.327 277 A C -0.637 177.079 177.584 0.221 0.000 1.178 277 A CA -0.663 51.521 52.037 0.245 0.000 0.817 277 A CB 0.862 20.080 19.000 0.362 0.000 1.189 277 A HN 0.688 nan 8.150 nan 0.000 0.489 278 V N 2.983 123.047 119.914 0.250 0.000 2.444 278 V HA 0.519 4.639 4.120 -0.000 0.000 0.294 278 V C -0.581 175.607 176.094 0.157 0.000 1.022 278 V CA -0.416 61.990 62.300 0.176 0.000 0.850 278 V CB 1.443 33.336 31.823 0.117 0.000 0.992 278 V HN 0.667 nan 8.190 nan 0.000 0.426 279 V N 3.813 123.787 119.914 0.099 0.000 2.588 279 V HA 0.354 4.474 4.120 -0.000 0.000 0.304 279 V C -0.082 176.063 176.094 0.086 0.000 1.042 279 V CA -0.658 61.674 62.300 0.054 0.000 0.877 279 V CB 1.975 33.742 31.823 -0.093 0.000 0.996 279 V HN 1.003 nan 8.190 nan 0.000 0.425 280 C N 6.058 125.440 119.300 0.137 0.000 2.514 280 C HA 0.395 4.855 4.460 -0.000 0.000 0.392 280 C C 1.474 176.524 174.990 0.100 0.000 1.294 280 C CA -0.301 58.779 59.018 0.103 0.000 1.957 280 C CB -0.484 27.301 27.740 0.075 0.000 2.541 280 C HN 0.775 nan 8.230 nan 0.000 0.569 281 I N 4.359 124.960 120.570 0.052 0.000 3.860 281 I HA 0.077 4.247 4.170 -0.000 0.000 0.319 281 I C 1.786 177.918 176.117 0.026 0.000 1.279 281 I CA 0.771 62.085 61.300 0.023 0.000 1.220 281 I CB -0.815 37.181 38.000 -0.006 0.000 1.027 281 I HN 0.696 nan 8.210 nan 0.000 0.428 282 D N 0.740 121.163 120.400 0.037 0.000 2.144 282 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 282 D C 1.044 177.364 176.300 0.033 0.000 0.978 282 D CA 1.016 55.033 54.000 0.029 0.000 0.833 282 D CB 0.059 40.876 40.800 0.029 0.000 0.961 282 D HN 0.272 nan 8.370 nan 0.000 0.470 283 D N 0.567 121.000 120.400 0.055 0.000 2.372 283 D HA -0.043 4.596 4.640 -0.000 0.000 0.243 283 D C 0.733 177.059 176.300 0.043 0.000 1.121 283 D CA -0.188 53.850 54.000 0.063 0.000 0.898 283 D CB 1.334 42.208 40.800 0.122 0.000 1.202 283 D HN -0.200 nan 8.370 nan 0.000 0.428 284 D N 2.399 122.810 120.400 0.018 0.000 2.078 284 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 284 D C 1.795 178.072 176.300 -0.040 0.000 0.990 284 D CA 1.764 55.753 54.000 -0.019 0.000 0.827 284 D CB -0.444 40.334 40.800 -0.037 0.000 0.975 284 D HN 0.549 nan 8.370 nan 0.000 0.451 285 A N 0.802 123.613 122.820 -0.016 0.000 1.940 285 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 285 A C 2.364 179.919 177.584 -0.049 0.000 1.190 285 A CA 2.662 54.690 52.037 -0.014 0.000 0.647 285 A CB -1.316 17.788 19.000 0.174 0.000 0.821 285 A HN 0.345 nan 8.150 nan 0.000 0.457 286 G N -0.829 108.006 108.800 0.058 0.000 2.459 286 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 286 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 286 G C 1.728 176.541 174.900 -0.144 0.000 1.183 286 G CA 1.084 46.160 45.100 -0.041 0.000 0.776 286 G HN 0.603 nan 8.290 nan 0.000 0.552 287 R N 0.531 120.985 120.500 -0.077 0.000 2.091 287 R HA -0.023 4.317 4.340 -0.000 0.000 0.238 287 R C 3.006 179.242 176.300 -0.107 0.000 1.136 287 R CA 1.341 57.393 56.100 -0.081 0.000 0.959 287 R CB -0.394 29.870 30.300 -0.060 0.000 0.856 287 R HN 0.367 nan 8.270 nan 0.000 0.437 288 A N 0.506 123.251 122.820 -0.126 0.000 1.930 288 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 288 A C 2.095 179.657 177.584 -0.038 0.000 1.175 288 A CA 1.174 53.141 52.037 -0.116 0.000 0.627 288 A CB -0.259 18.588 19.000 -0.255 0.000 0.815 288 A HN 0.136 nan 8.150 nan 0.000 0.443 289 M N -0.711 118.797 119.600 -0.153 0.000 2.254 289 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 289 M C 2.478 178.594 176.300 -0.307 0.000 1.066 289 M CA 1.354 56.439 55.300 -0.359 0.000 1.123 289 M CB -1.062 30.915 32.600 -1.039 0.000 1.388 289 M HN 0.500 nan 8.290 nan 0.000 0.425 290 A N 0.177 122.855 122.820 -0.236 0.000 1.930 290 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 290 A C 2.351 179.898 177.584 -0.062 0.000 1.175 290 A CA 1.818 53.778 52.037 -0.128 0.000 0.627 290 A CB -0.722 18.226 19.000 -0.088 0.000 0.815 290 A HN 0.469 nan 8.150 nan 0.000 0.443 291 A N -0.414 122.370 122.820 -0.059 0.000 1.969 291 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 291 A C 2.162 179.739 177.584 -0.011 0.000 1.169 291 A CA 1.917 53.938 52.037 -0.027 0.000 0.635 291 A CB -0.377 18.605 19.000 -0.030 0.000 0.810 291 A HN 0.461 nan 8.150 nan 0.000 0.445 292 R N 0.149 120.639 120.500 -0.017 0.000 2.061 292 R HA 0.029 4.369 4.340 -0.000 0.000 0.230 292 R C 2.163 178.474 176.300 0.019 0.000 1.140 292 R CA 1.835 57.938 56.100 0.006 0.000 0.940 292 R CB -0.864 29.438 30.300 0.004 0.000 0.839 292 R HN 0.354 nan 8.270 nan 0.000 0.429 293 A N -0.404 122.426 122.820 0.017 0.000 2.131 293 A HA 0.134 4.454 4.320 -0.000 0.000 0.220 293 A C 1.749 179.368 177.584 0.059 0.000 1.158 293 A CA 1.862 53.943 52.037 0.073 0.000 0.665 293 A CB -0.698 18.375 19.000 0.122 0.000 0.795 293 A HN 0.692 nan 8.150 nan 0.000 0.460 294 A N -0.167 122.676 122.820 0.038 0.000 1.344 294 A HA -0.333 3.987 4.320 -0.000 0.000 0.222 294 A C 0.887 178.504 177.584 0.056 0.000 0.391 294 A CA 1.980 54.041 52.037 0.040 0.000 1.096 294 A CB -2.098 16.924 19.000 0.037 0.000 1.468 294 A HN 1.193 nan 8.150 nan 0.000 0.722 295 D N 0.052 120.492 120.400 0.067 0.000 3.123 295 D HA 0.646 5.286 4.640 -0.000 0.000 0.305 295 D C 0.067 176.430 176.300 0.105 0.000 1.373 295 D CA 0.630 54.677 54.000 0.079 0.000 0.889 295 D CB -0.406 40.428 40.800 0.057 0.000 1.070 295 D HN 1.186 nan 8.370 nan 0.000 0.494 296 A N 0.657 123.550 122.820 0.123 0.000 2.386 296 A HA 0.457 4.777 4.320 -0.000 0.000 0.248 296 A C 0.346 178.075 177.584 0.242 0.000 1.082 296 A CA -0.489 51.637 52.037 0.149 0.000 0.789 296 A CB 0.274 19.330 19.000 0.093 0.000 1.025 296 A HN 0.496 nan 8.150 nan 0.000 0.490 297 I N 2.045 122.767 120.570 0.252 0.000 2.325 297 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 297 I C 0.906 177.257 176.117 0.390 0.000 1.019 297 I CA -0.041 61.516 61.300 0.428 0.000 1.302 297 I CB 1.248 39.429 38.000 0.302 0.000 1.401 297 I HN 0.798 nan 8.210 nan 0.000 0.485 298 T N 3.335 118.136 114.554 0.412 0.000 2.934 298 T HA 0.743 5.093 4.350 -0.000 0.000 0.283 298 T C -0.400 174.395 174.700 0.158 0.000 1.005 298 T CA -0.732 61.425 62.100 0.095 0.000 1.041 298 T CB 2.112 70.892 68.868 -0.146 0.000 1.042 298 T HN 0.257 nan 8.240 nan 0.000 0.505 299 V N 1.304 121.286 119.914 0.113 0.000 2.777 299 V HA 0.721 4.841 4.120 -0.000 0.000 0.306 299 V C -0.725 175.422 176.094 0.089 0.000 1.112 299 V CA -0.699 61.691 62.300 0.151 0.000 0.917 299 V CB 2.136 34.031 31.823 0.119 0.000 1.018 299 V HN 1.193 nan 8.190 nan 0.000 0.426 300 S N 3.270 119.027 115.700 0.096 0.000 2.614 300 S HA 0.716 5.186 4.470 -0.000 0.000 0.275 300 S C 0.237 174.863 174.600 0.043 0.000 1.161 300 S CA 0.320 58.551 58.200 0.052 0.000 0.969 300 S CB 1.866 65.085 63.200 0.032 0.000 1.059 300 S HN 1.214 nan 8.310 nan 0.000 0.482 301 A N 3.345 126.167 122.820 0.003 0.000 2.387 301 A HA 0.664 4.984 4.320 -0.000 0.000 0.234 301 A C 1.090 178.652 177.584 -0.037 0.000 1.253 301 A CA 0.392 52.403 52.037 -0.044 0.000 0.894 301 A CB -0.110 18.818 19.000 -0.120 0.000 0.963 301 A HN 1.267 nan 8.150 nan 0.000 0.508 302 A N -0.921 121.892 122.820 -0.013 0.000 2.965 302 A HA 0.489 4.809 4.320 -0.000 0.000 0.304 302 A C 0.795 178.376 177.584 -0.006 0.000 1.214 302 A CA 1.162 53.192 52.037 -0.012 0.000 0.977 302 A CB -1.315 17.682 19.000 -0.006 0.000 1.127 302 A HN 1.419 nan 8.150 nan 0.000 0.572 303 D N -0.366 120.034 120.400 -0.001 0.000 3.067 303 D HA -0.245 4.395 4.640 -0.000 0.000 0.216 303 D C 0.434 176.734 176.300 0.001 0.000 1.162 303 D CA 1.993 55.995 54.000 0.003 0.000 0.960 303 D CB -1.804 38.995 40.800 -0.001 0.000 1.129 303 D HN 0.820 nan 8.370 nan 0.000 0.408 304 R N -0.006 120.495 120.500 0.001 0.000 2.539 304 R HA 0.513 4.853 4.340 -0.000 0.000 0.275 304 R C -2.590 173.705 176.300 -0.008 0.000 1.077 304 R CA -1.321 54.776 56.100 -0.006 0.000 1.097 304 R CB 0.692 30.987 30.300 -0.008 0.000 1.018 304 R HN 0.234 nan 8.270 nan 0.000 0.483 305 P HA 0.121 nan 4.420 nan 0.000 0.276 305 P C -1.329 175.932 177.300 -0.066 0.000 1.264 305 P CA 0.204 63.285 63.100 -0.032 0.000 0.769 305 P CB 1.265 32.945 31.700 -0.033 0.000 0.840 306 A N 2.820 125.603 122.820 -0.061 0.000 2.532 306 A HA 0.491 4.811 4.320 -0.000 0.000 0.290 306 A C 0.763 178.290 177.584 -0.096 0.000 1.143 306 A CA -0.462 51.504 52.037 -0.118 0.000 0.728 306 A CB 0.622 19.622 19.000 -0.000 0.000 1.317 306 A HN 0.521 nan 8.150 nan 0.000 0.414 307 H N -0.842 118.283 119.070 0.092 0.000 2.353 307 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 307 H C -0.472 174.828 175.328 -0.048 0.000 1.090 307 H CA 1.289 57.357 56.048 0.033 0.000 1.327 307 H CB -0.047 29.772 29.762 0.095 0.000 1.383 307 H HN 0.612 nan 8.280 nan 0.000 0.508 308 W N 1.114 122.499 121.300 0.141 0.000 2.478 308 W HA 0.507 5.167 4.660 0.000 0.000 0.318 308 W C 0.094 176.659 176.519 0.076 0.000 1.062 308 W CA -0.558 56.852 57.345 0.107 0.000 1.210 308 W CB 1.148 30.671 29.460 0.104 0.000 1.325 308 W HN -0.216 nan 8.180 nan 0.000 0.496 309 R N 1.813 122.483 120.500 0.282 0.000 2.725 309 R HA 0.821 5.161 4.340 -0.000 0.000 0.277 309 R C -0.856 175.578 176.300 0.223 0.000 0.987 309 R CA -0.868 55.343 56.100 0.186 0.000 0.901 309 R CB 2.027 32.387 30.300 0.101 0.000 1.207 309 R HN 0.511 nan 8.270 nan 0.000 0.463 310 A N 1.085 124.005 122.820 0.165 0.000 2.340 310 A HA 0.835 5.155 4.320 -0.000 0.000 0.331 310 A C -0.679 176.977 177.584 0.121 0.000 1.140 310 A CA -0.483 51.673 52.037 0.199 0.000 0.801 310 A CB 1.359 20.364 19.000 0.007 0.000 1.234 310 A HN 0.747 nan 8.150 nan 0.000 0.469 311 T N -2.040 112.614 114.554 0.167 0.000 2.739 311 T HA 0.588 4.937 4.350 -0.000 0.000 0.303 311 T C -0.987 173.779 174.700 0.110 0.000 1.389 311 T CA -0.181 61.975 62.100 0.094 0.000 1.001 311 T CB 1.134 70.041 68.868 0.065 0.000 1.436 311 T HN 0.670 nan 8.240 nan 0.000 0.500 312 D N -0.670 119.770 120.400 0.067 0.000 2.870 312 D HA -0.110 4.530 4.640 -0.000 0.000 0.228 312 D C 0.050 176.401 176.300 0.086 0.000 1.147 312 D CA 0.549 54.585 54.000 0.060 0.000 0.757 312 D CB -1.989 38.835 40.800 0.041 0.000 1.091 312 D HN 0.665 nan 8.370 nan 0.000 0.429 313 V N -0.051 119.913 119.914 0.083 0.000 2.458 313 V HA 0.368 4.488 4.120 -0.000 0.000 0.287 313 V C 1.043 177.176 176.094 0.064 0.000 1.009 313 V CA 0.619 62.968 62.300 0.082 0.000 1.091 313 V CB 0.827 32.640 31.823 -0.017 0.000 0.960 313 V HN 0.421 nan 8.190 nan 0.000 0.476 314 A N 8.050 130.926 122.820 0.093 0.000 2.332 314 A HA 0.786 5.105 4.320 -0.000 0.000 0.300 314 A C -2.559 175.073 177.584 0.080 0.000 1.153 314 A CA -1.908 50.176 52.037 0.079 0.000 0.764 314 A CB 1.140 20.194 19.000 0.090 0.000 1.174 314 A HN 0.619 nan 8.150 nan 0.000 0.467 315 P HA 0.081 nan 4.420 nan 0.000 0.264 315 P C 0.254 177.592 177.300 0.063 0.000 1.173 315 P CA 0.917 64.052 63.100 0.059 0.000 0.761 315 P CB 0.519 32.255 31.700 0.060 0.000 0.794 316 T N -2.442 112.148 114.554 0.059 0.000 2.896 316 T HA 0.606 4.956 4.350 -0.000 0.000 0.297 316 T C -0.419 174.305 174.700 0.041 0.000 1.108 316 T CA -0.750 61.382 62.100 0.054 0.000 1.004 316 T CB 0.762 69.668 68.868 0.064 0.000 1.159 316 T HN 0.292 nan 8.240 nan 0.000 0.499 317 D N -0.407 120.013 120.400 0.032 0.000 2.488 317 D HA 0.492 5.132 4.640 -0.000 0.000 0.238 317 D C 1.305 177.618 176.300 0.021 0.000 1.138 317 D CA 0.238 54.251 54.000 0.021 0.000 0.873 317 D CB -0.497 40.311 40.800 0.014 0.000 1.183 317 D HN 2.125 nan 8.370 nan 0.000 0.458 318 A N 0.374 123.203 122.820 0.015 0.000 3.294 318 A HA 0.323 4.643 4.320 -0.000 0.000 0.242 318 A C 2.310 179.908 177.584 0.023 0.000 1.282 318 A CA 1.390 53.435 52.037 0.015 0.000 1.197 318 A CB -1.816 17.194 19.000 0.016 0.000 1.145 318 A HN 2.791 nan 8.150 nan 0.000 0.898 319 G N -2.128 106.688 108.800 0.027 0.000 2.187 319 G HA2 0.086 4.046 3.960 -0.000 0.000 0.261 319 G HA3 0.086 4.046 3.960 -0.000 0.000 0.261 319 G C 1.623 176.545 174.900 0.037 0.000 1.000 319 G CA 1.336 46.456 45.100 0.033 0.000 0.718 319 G HN 2.469 nan 8.290 nan 0.000 0.519 320 G N -1.593 107.233 108.800 0.043 0.000 2.525 320 G HA2 0.617 4.577 3.960 -0.000 0.000 0.287 320 G HA3 0.617 4.577 3.960 -0.000 0.000 0.287 320 G C -0.264 174.677 174.900 0.068 0.000 1.350 320 G CA -0.334 44.799 45.100 0.056 0.000 1.039 320 G HN 0.481 nan 8.290 nan 0.000 0.513 321 Q N -0.615 119.244 119.800 0.098 0.000 2.271 321 Q HA 0.286 4.626 4.340 -0.000 0.000 0.268 321 Q C -0.899 175.224 176.000 0.206 0.000 1.021 321 Q CA -0.533 55.350 55.803 0.132 0.000 0.802 321 Q CB 2.440 31.247 28.738 0.115 0.000 1.282 321 Q HN 0.726 nan 8.270 nan 0.000 0.431 322 Q N 2.472 122.390 119.800 0.196 0.000 2.301 322 Q HA 0.813 5.153 4.340 -0.000 0.000 0.267 322 Q C -0.885 175.232 176.000 0.196 0.000 1.035 322 Q CA -0.743 55.166 55.803 0.177 0.000 0.856 322 Q CB 1.826 30.694 28.738 0.215 0.000 1.337 322 Q HN 0.542 nan 8.270 nan 0.000 0.450 323 F N -2.523 117.332 119.950 -0.158 0.000 2.817 323 F HA 0.588 5.115 4.527 -0.000 0.000 0.317 323 F C -1.499 174.142 175.800 -0.266 0.000 1.168 323 F CA -1.067 56.824 58.000 -0.182 0.000 0.911 323 F CB 1.431 40.394 39.000 -0.063 0.000 1.337 323 F HN 0.372 nan 8.300 nan 0.000 0.464 324 T N 1.888 116.438 114.554 -0.006 0.000 2.758 324 T HA 0.700 5.050 4.350 -0.000 0.000 0.285 324 T C -0.339 174.486 174.700 0.208 0.000 0.981 324 T CA -0.275 61.800 62.100 -0.041 0.000 0.965 324 T CB 1.070 69.940 68.868 0.003 0.000 0.927 324 T HN 0.880 nan 8.240 nan 0.000 0.448 325 A N 4.458 127.370 122.820 0.154 0.000 2.252 325 A HA 0.658 4.978 4.320 -0.000 0.000 0.309 325 A C -0.095 177.687 177.584 0.329 0.000 1.285 325 A CA -0.603 51.658 52.037 0.373 0.000 0.900 325 A CB -0.241 19.004 19.000 0.408 0.000 1.157 325 A HN 0.876 nan 8.150 nan 0.000 0.536 326 I N 3.582 124.297 120.570 0.240 0.000 2.312 326 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 326 I C -0.107 175.915 176.117 -0.158 0.000 1.008 326 I CA -0.599 60.744 61.300 0.073 0.000 1.226 326 I CB 1.308 39.334 38.000 0.044 0.000 1.371 326 I HN 0.780 nan 8.210 nan 0.000 0.468 327 D N 7.173 127.322 120.400 -0.419 0.000 2.414 327 D HA 0.193 4.833 4.640 -0.000 0.000 0.251 327 D C -2.103 173.755 176.300 -0.736 0.000 1.252 327 D CA -2.142 51.137 54.000 -1.203 0.000 0.999 327 D CB 0.007 40.184 40.800 -1.038 0.000 1.093 327 D HN 0.153 nan 8.370 nan 0.000 0.515 328 P HA 0.060 nan 4.420 nan 0.000 0.230 328 P C 0.539 177.726 177.300 -0.188 0.000 1.158 328 P CA 1.437 64.347 63.100 -0.317 0.000 0.769 328 P CB 0.036 31.592 31.700 -0.240 0.000 0.807 329 A N -0.853 121.847 122.820 -0.201 0.000 2.379 329 A HA 0.503 4.823 4.320 -0.000 0.000 0.236 329 A C 1.598 179.127 177.584 -0.091 0.000 1.272 329 A CA 0.450 52.421 52.037 -0.110 0.000 0.886 329 A CB -1.168 17.784 19.000 -0.080 0.000 0.962 329 A HN 0.209 nan 8.150 nan 0.000 0.504 330 G N -1.081 107.652 108.800 -0.113 0.000 2.155 330 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.257 330 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.257 330 G C 0.187 175.047 174.900 -0.067 0.000 0.983 330 G CA 0.350 45.404 45.100 -0.076 0.000 0.676 330 G HN 0.789 nan 8.290 nan 0.000 0.528 331 V N 0.926 120.794 119.914 -0.076 0.000 2.461 331 V HA 0.645 4.765 4.120 -0.000 0.000 0.275 331 V C 1.315 177.359 176.094 -0.083 0.000 1.047 331 V CA 0.056 62.303 62.300 -0.089 0.000 0.955 331 V CB 1.318 33.094 31.823 -0.077 0.000 0.988 331 V HN 0.640 nan 8.190 nan 0.000 0.471 332 G N 3.066 111.787 108.800 -0.132 0.000 2.507 332 G HA2 0.520 4.480 3.960 -0.000 0.000 0.271 332 G HA3 0.520 4.480 3.960 -0.000 0.000 0.271 332 G C -0.946 173.783 174.900 -0.286 0.000 1.189 332 G CA -0.216 44.839 45.100 -0.075 0.000 0.859 332 G HN 0.817 nan 8.290 nan 0.000 0.542 333 H N -0.923 118.158 119.070 0.019 0.000 2.934 333 H HA 0.217 4.773 4.556 -0.000 0.000 0.340 333 H C -0.730 174.579 175.328 -0.032 0.000 1.008 333 H CA -0.671 55.392 56.048 0.025 0.000 1.317 333 H CB 1.335 31.133 29.762 0.061 0.000 1.670 333 H HN 0.551 nan 8.280 nan 0.000 0.516 334 H N 4.718 123.794 119.070 0.010 0.000 2.944 334 H HA 0.120 4.676 4.556 -0.000 0.000 0.278 334 H C -0.426 174.829 175.328 -0.121 0.000 1.083 334 H CA 0.072 56.082 56.048 -0.064 0.000 1.479 334 H CB 0.164 29.901 29.762 -0.041 0.000 1.486 334 H HN 0.427 nan 8.280 nan 0.000 0.493 335 I N 3.198 123.592 120.570 -0.294 0.000 2.707 335 I HA 0.359 4.529 4.170 -0.000 0.000 0.309 335 I C 0.956 176.924 176.117 -0.249 0.000 1.001 335 I CA -0.795 60.294 61.300 -0.351 0.000 1.129 335 I CB 1.748 39.282 38.000 -0.776 0.000 1.308 335 I HN 0.656 nan 8.210 nan 0.000 0.466 336 G N 5.022 113.775 108.800 -0.077 0.000 2.732 336 G HA2 0.605 4.564 3.960 -0.000 0.000 0.295 336 G HA3 0.605 4.564 3.960 -0.000 0.000 0.295 336 G C -1.520 173.424 174.900 0.073 0.000 1.456 336 G CA -0.135 44.989 45.100 0.040 0.000 1.050 336 G HN 0.282 nan 8.290 nan 0.000 0.525 337 I N 2.014 122.667 120.570 0.137 0.000 2.569 337 I HA 0.521 4.691 4.170 -0.000 0.000 0.296 337 I C 0.768 176.945 176.117 0.099 0.000 1.028 337 I CA -1.478 59.903 61.300 0.136 0.000 1.082 337 I CB 2.365 40.490 38.000 0.209 0.000 1.264 337 I HN 0.499 nan 8.210 nan 0.000 0.429 338 R N 5.351 125.895 120.500 0.074 0.000 2.313 338 R HA 0.223 4.563 4.340 -0.000 0.000 0.199 338 R C -0.547 175.782 176.300 0.048 0.000 0.958 338 R CA 0.174 56.307 56.100 0.055 0.000 1.047 338 R CB -0.366 29.960 30.300 0.043 0.000 0.955 338 R HN 0.450 nan 8.270 nan 0.000 0.481 339 L N 2.815 124.071 121.223 0.054 0.000 2.307 339 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 339 L C -2.056 174.825 176.870 0.019 0.000 1.023 339 L CA -2.171 52.693 54.840 0.039 0.000 0.810 339 L CB 1.772 43.859 42.059 0.047 0.000 1.231 339 L HN -0.117 nan 8.230 nan 0.000 0.423 340 P HA 0.352 nan 4.420 nan 0.000 0.276 340 P C -0.207 177.015 177.300 -0.129 0.000 1.261 340 P CA -0.065 63.014 63.100 -0.036 0.000 0.800 340 P CB 1.312 33.006 31.700 -0.011 0.000 1.066 341 G N 0.436 109.107 108.800 -0.214 0.000 3.225 341 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 341 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 341 G C 0.426 175.021 174.900 -0.509 0.000 1.105 341 G CA -0.172 44.638 45.100 -0.483 0.000 0.831 341 G HN 0.601 nan 8.290 nan 0.000 0.578 342 R N 1.870 122.097 120.500 -0.456 0.000 2.105 342 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 342 R C 2.478 178.635 176.300 -0.238 0.000 1.135 342 R CA 3.250 59.174 56.100 -0.292 0.000 0.967 342 R CB -0.665 29.520 30.300 -0.192 0.000 0.861 342 R HN 1.123 nan 8.270 nan 0.000 0.442 343 Y N -1.484 118.776 120.300 -0.067 0.000 2.509 343 Y HA 0.168 4.718 4.550 -0.000 0.000 0.293 343 Y C 1.288 177.145 175.900 -0.072 0.000 1.133 343 Y CA 0.237 58.297 58.100 -0.066 0.000 1.283 343 Y CB -0.912 37.521 38.460 -0.045 0.000 1.001 343 Y HN -0.002 nan 8.280 nan 0.000 0.555 344 N N 0.702 119.470 118.700 0.113 0.000 2.396 344 N HA -0.082 4.658 4.740 -0.000 0.000 0.180 344 N C 1.797 177.296 175.510 -0.018 0.000 1.028 344 N CA 1.141 54.255 53.050 0.106 0.000 0.893 344 N CB -0.111 38.411 38.487 0.059 0.000 0.967 344 N HN 0.373 nan 8.380 nan 0.000 0.440 345 V N 1.356 121.171 119.914 -0.166 0.000 2.358 345 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 345 V C 2.418 178.363 176.094 -0.249 0.000 1.047 345 V CA 1.745 63.795 62.300 -0.418 0.000 1.035 345 V CB -0.857 30.537 31.823 -0.714 0.000 0.658 345 V HN 0.251 nan 8.190 nan 0.000 0.452 346 A N 0.530 123.280 122.820 -0.116 0.000 1.877 346 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 346 A C 2.076 179.657 177.584 -0.005 0.000 1.186 346 A CA 2.017 54.031 52.037 -0.038 0.000 0.620 346 A CB -0.717 18.289 19.000 0.010 0.000 0.822 346 A HN 0.573 nan 8.150 nan 0.000 0.443 347 N N -0.214 118.501 118.700 0.026 0.000 2.061 347 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 347 N C 1.762 177.284 175.510 0.020 0.000 1.030 347 N CA 1.554 54.619 53.050 0.025 0.000 0.856 347 N CB -1.178 37.340 38.487 0.052 0.000 1.023 347 N HN 0.566 nan 8.380 nan 0.000 0.424 348 C N 0.921 120.249 119.300 0.046 0.000 2.429 348 C HA 0.020 4.480 4.460 -0.000 0.000 0.277 348 C C 2.704 177.726 174.990 0.053 0.000 1.262 348 C CA 0.284 59.356 59.018 0.090 0.000 1.733 348 C CB -1.236 26.640 27.740 0.227 0.000 2.010 348 C HN 0.394 nan 8.230 nan 0.000 0.483 349 L N 0.140 121.394 121.223 0.050 0.000 2.012 349 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 349 L C 2.612 179.376 176.870 -0.177 0.000 1.073 349 L CA 1.551 56.384 54.840 -0.012 0.000 0.748 349 L CB -0.846 41.255 42.059 0.069 0.000 0.891 349 L HN 0.231 nan 8.230 nan 0.000 0.431 350 V N 0.246 120.102 119.914 -0.096 0.000 2.252 350 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 350 V C 2.786 178.792 176.094 -0.148 0.000 1.056 350 V CA 2.038 64.276 62.300 -0.103 0.000 1.022 350 V CB -1.059 30.741 31.823 -0.037 0.000 0.641 350 V HN 0.518 nan 8.190 nan 0.000 0.445 351 A N -0.614 122.142 122.820 -0.107 0.000 1.902 351 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 351 A C 2.272 179.741 177.584 -0.191 0.000 1.181 351 A CA 1.974 53.950 52.037 -0.101 0.000 0.623 351 A CB -0.599 18.374 19.000 -0.044 0.000 0.818 351 A HN 0.483 nan 8.150 nan 0.000 0.443 352 L N -0.836 120.221 121.223 -0.277 0.000 1.989 352 L HA -0.258 4.081 4.340 -0.000 0.000 0.211 352 L C 3.111 179.519 176.870 -0.770 0.000 1.071 352 L CA 1.368 55.926 54.840 -0.470 0.000 0.749 352 L CB -0.427 41.317 42.059 -0.524 0.000 0.890 352 L HN 0.463 nan 8.230 nan 0.000 0.431 353 A N -0.250 121.963 122.820 -1.012 0.000 1.930 353 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 353 A C 2.142 179.537 177.584 -0.314 0.000 1.175 353 A CA 1.426 52.904 52.037 -0.931 0.000 0.627 353 A CB -0.641 17.854 19.000 -0.841 0.000 0.815 353 A HN 0.389 nan 8.150 nan 0.000 0.443 354 I N -0.350 120.086 120.570 -0.223 0.000 2.127 354 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 354 I C 2.415 178.489 176.117 -0.072 0.000 1.075 354 I CA 1.368 62.614 61.300 -0.090 0.000 1.334 354 I CB -0.369 37.597 38.000 -0.056 0.000 1.040 354 I HN 0.301 nan 8.210 nan 0.000 0.405 355 L N 0.199 121.360 121.223 -0.104 0.000 2.012 355 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 355 L C 2.248 179.103 176.870 -0.026 0.000 1.073 355 L CA 1.847 56.650 54.840 -0.062 0.000 0.748 355 L CB -0.718 41.296 42.059 -0.075 0.000 0.891 355 L HN 0.290 nan 8.230 nan 0.000 0.431 356 D N -0.483 119.900 120.400 -0.029 0.000 2.104 356 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 356 D C 2.202 178.554 176.300 0.087 0.000 0.994 356 D CA 1.918 55.967 54.000 0.081 0.000 0.830 356 D CB 0.064 41.016 40.800 0.252 0.000 0.959 356 D HN 0.335 nan 8.370 nan 0.000 0.452 357 T N -2.147 112.450 114.554 0.071 0.000 2.915 357 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 357 T C 1.726 176.451 174.700 0.043 0.000 1.071 357 T CA 0.835 62.975 62.100 0.067 0.000 1.132 357 T CB -0.331 68.577 68.868 0.068 0.000 0.878 357 T HN -0.004 nan 8.240 nan 0.000 0.479 358 V N 1.209 121.139 119.914 0.027 0.000 3.577 358 V HA 0.414 4.534 4.120 -0.000 0.000 0.294 358 V C 1.600 177.705 176.094 0.018 0.000 1.317 358 V CA 0.449 62.760 62.300 0.018 0.000 1.169 358 V CB -0.910 30.918 31.823 0.008 0.000 1.011 358 V HN 0.894 nan 8.190 nan 0.000 0.426 359 G N 0.652 109.469 108.800 0.029 0.000 2.289 359 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.280 359 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.280 359 G C -0.206 174.710 174.900 0.026 0.000 1.089 359 G CA 0.258 45.377 45.100 0.031 0.000 0.939 359 G HN 0.464 nan 8.290 nan 0.000 0.499 360 V N 0.927 120.856 119.914 0.025 0.000 2.525 360 V HA 0.693 4.813 4.120 -0.000 0.000 0.299 360 V C 0.759 176.870 176.094 0.029 0.000 1.034 360 V CA -0.279 62.033 62.300 0.019 0.000 0.863 360 V CB 1.745 33.569 31.823 0.001 0.000 0.999 360 V HN 1.090 nan 8.190 nan 0.000 0.423 361 S N 5.433 121.158 115.700 0.042 0.000 2.603 361 S HA 0.396 4.866 4.470 -0.000 0.000 0.268 361 S C -1.752 172.865 174.600 0.028 0.000 1.317 361 S CA -0.926 57.309 58.200 0.058 0.000 1.012 361 S CB 1.364 64.610 63.200 0.078 0.000 0.926 361 S HN 0.493 nan 8.310 nan 0.000 0.539 362 P HA -0.019 nan 4.420 nan 0.000 0.218 362 P C 1.049 178.373 177.300 0.041 0.000 1.149 362 P CA 1.060 64.135 63.100 -0.042 0.000 0.817 362 P CB 0.005 31.552 31.700 -0.255 0.000 0.785 363 E N -0.202 120.057 120.200 0.099 0.000 2.058 363 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 363 E C 2.138 178.771 176.600 0.055 0.000 0.997 363 E CA 1.382 57.842 56.400 0.099 0.000 0.801 363 E CB -0.723 29.043 29.700 0.110 0.000 0.746 363 E HN 0.379 nan 8.360 nan 0.000 0.450 364 Q N -0.578 119.248 119.800 0.043 0.000 2.170 364 Q HA -0.063 4.277 4.340 -0.000 0.000 0.203 364 Q C 1.951 177.961 176.000 0.016 0.000 0.976 364 Q CA 1.392 57.211 55.803 0.026 0.000 0.858 364 Q CB -0.031 28.721 28.738 0.023 0.000 0.907 364 Q HN 0.291 nan 8.270 nan 0.000 0.433 365 A N -0.179 122.648 122.820 0.011 0.000 2.044 365 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 365 A C 2.081 179.669 177.584 0.007 0.000 1.169 365 A CA 0.114 52.151 52.037 0.001 0.000 0.724 365 A CB -0.209 18.782 19.000 -0.016 0.000 0.840 365 A HN 0.214 nan 8.150 nan 0.000 0.463 366 V N 1.004 120.926 119.914 0.014 0.000 2.568 366 V HA -0.116 4.004 4.120 -0.000 0.000 0.253 366 V C -0.635 175.470 176.094 0.018 0.000 1.072 366 V CA 2.408 64.717 62.300 0.015 0.000 1.084 366 V CB -0.595 31.244 31.823 0.027 0.000 0.676 366 V HN 0.404 nan 8.190 nan 0.000 0.469 367 P HA -0.030 nan 4.420 nan 0.000 0.217 367 P C 1.671 178.982 177.300 0.018 0.000 1.151 367 P CA 1.565 64.675 63.100 0.017 0.000 0.828 367 P CB -0.337 31.372 31.700 0.014 0.000 0.788 368 G N 0.145 108.954 108.800 0.016 0.000 2.414 368 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 368 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 368 G C 1.313 176.230 174.900 0.027 0.000 1.188 368 G CA 0.547 45.658 45.100 0.018 0.000 0.783 368 G HN 0.091 nan 8.290 nan 0.000 0.537 369 L N 1.563 122.802 121.223 0.027 0.000 2.043 369 L HA -0.067 4.272 4.340 -0.000 0.000 0.212 369 L C 3.490 180.388 176.870 0.045 0.000 1.075 369 L CA 2.187 57.051 54.840 0.039 0.000 0.752 369 L CB -1.548 40.532 42.059 0.034 0.000 0.891 369 L HN 0.399 nan 8.230 nan 0.000 0.432 370 R N -0.163 120.359 120.500 0.036 0.000 2.096 370 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 370 R C 2.058 178.381 176.300 0.039 0.000 1.139 370 R CA 1.914 58.037 56.100 0.038 0.000 0.952 370 R CB -1.123 29.194 30.300 0.029 0.000 0.854 370 R HN 0.547 nan 8.270 nan 0.000 0.436 371 E N -0.683 119.538 120.200 0.034 0.000 2.140 371 E HA 0.064 4.414 4.350 -0.000 0.000 0.191 371 E C 0.439 177.064 176.600 0.040 0.000 0.973 371 E CA -0.196 56.224 56.400 0.033 0.000 0.829 371 E CB -0.215 29.501 29.700 0.027 0.000 0.781 371 E HN 0.484 nan 8.360 nan 0.000 0.466 372 I N 2.523 123.123 120.570 0.050 0.000 2.906 372 I HA -0.162 4.008 4.170 -0.000 0.000 0.301 372 I C 0.382 176.532 176.117 0.054 0.000 1.221 372 I CA 0.722 62.062 61.300 0.066 0.000 1.435 372 I CB 0.172 38.227 38.000 0.093 0.000 1.345 372 I HN -0.165 nan 8.210 nan 0.000 0.558 373 R N 7.598 128.125 120.500 0.045 0.000 2.337 373 R HA 0.439 4.779 4.340 -0.000 0.000 0.319 373 R C -1.598 174.680 176.300 -0.036 0.000 0.954 373 R CA -0.691 55.415 56.100 0.010 0.000 0.840 373 R CB 1.426 31.732 30.300 0.009 0.000 1.164 373 R HN 0.547 nan 8.270 nan 0.000 0.472 374 V N 6.625 126.474 119.914 -0.108 0.000 2.461 374 V HA 0.450 4.570 4.120 -0.000 0.000 0.275 374 V C -2.205 173.707 176.094 -0.304 0.000 1.047 374 V CA -2.103 59.989 62.300 -0.347 0.000 0.955 374 V CB 1.310 32.894 31.823 -0.398 0.000 0.988 374 V HN 0.709 nan 8.190 nan 0.000 0.471 375 P HA 0.283 nan 4.420 nan 0.000 0.271 375 P C 0.838 178.029 177.300 -0.182 0.000 1.216 375 P CA 1.207 64.188 63.100 -0.197 0.000 0.771 375 P CB 1.135 32.743 31.700 -0.152 0.000 0.864 376 G N 2.631 111.394 108.800 -0.063 0.000 2.196 376 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.268 376 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.268 376 G C 0.117 175.012 174.900 -0.009 0.000 0.975 376 G CA -0.108 44.988 45.100 -0.006 0.000 0.648 376 G HN 0.599 nan 8.290 nan 0.000 0.538 377 R N -0.139 120.324 120.500 -0.060 0.000 2.275 377 R HA 0.500 4.840 4.340 -0.000 0.000 0.326 377 R C 0.610 176.916 176.300 0.011 0.000 0.973 377 R CA -1.419 54.668 56.100 -0.022 0.000 0.854 377 R CB 0.646 30.903 30.300 -0.072 0.000 1.156 377 R HN 0.387 nan 8.270 nan 0.000 0.487 378 L N 1.144 122.399 121.223 0.052 0.000 3.954 378 L HA -0.246 4.094 4.340 -0.000 0.000 0.462 378 L C 0.453 177.345 176.870 0.037 0.000 1.195 378 L CA 1.074 55.949 54.840 0.058 0.000 0.739 378 L CB -1.679 40.424 42.059 0.073 0.000 1.599 378 L HN 0.691 nan 8.230 nan 0.000 0.838 379 E N 1.248 121.466 120.200 0.031 0.000 2.152 379 E HA 0.233 4.583 4.350 -0.000 0.000 0.285 379 E C 0.314 176.936 176.600 0.035 0.000 1.043 379 E CA -0.505 55.908 56.400 0.021 0.000 0.839 379 E CB 0.556 30.263 29.700 0.011 0.000 1.069 379 E HN 0.504 nan 8.360 nan 0.000 0.399 380 Q N 4.639 124.458 119.800 0.032 0.000 2.294 380 Q HA 0.311 4.651 4.340 -0.000 0.000 0.257 380 Q C -0.222 175.793 176.000 0.024 0.000 0.955 380 Q CA -0.633 55.191 55.803 0.035 0.000 0.936 380 Q CB 1.136 29.893 28.738 0.033 0.000 1.188 380 Q HN 0.374 nan 8.270 nan 0.000 0.420 381 I N 3.565 124.152 120.570 0.028 0.000 2.342 381 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 381 I C 0.515 176.624 176.117 -0.012 0.000 1.010 381 I CA -0.362 60.945 61.300 0.012 0.000 1.308 381 I CB 0.971 38.984 38.000 0.022 0.000 1.400 381 I HN 0.880 nan 8.210 nan 0.000 0.488 382 D N 5.268 125.652 120.400 -0.028 0.000 2.582 382 D HA 0.007 4.647 4.640 -0.000 0.000 0.246 382 D C 0.358 176.617 176.300 -0.068 0.000 1.334 382 D CA -0.494 53.470 54.000 -0.061 0.000 0.805 382 D CB 0.219 40.989 40.800 -0.051 0.000 1.087 382 D HN 0.359 nan 8.370 nan 0.000 0.499 383 R N 1.166 121.636 120.500 -0.050 0.000 2.584 383 R HA 0.266 4.606 4.340 -0.000 0.000 0.315 383 R C 1.255 177.510 176.300 -0.075 0.000 0.863 383 R CA 1.552 57.623 56.100 -0.048 0.000 1.139 383 R CB -0.234 30.047 30.300 -0.032 0.000 0.880 383 R HN 0.444 nan 8.270 nan 0.000 0.413 384 G N 0.417 109.175 108.800 -0.071 0.000 2.499 384 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.232 384 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.232 384 G C -0.663 174.166 174.900 -0.118 0.000 1.251 384 G CA -0.026 45.020 45.100 -0.090 0.000 0.917 384 G HN 0.920 nan 8.290 nan 0.000 0.580 385 Q N -2.665 117.034 119.800 -0.167 0.000 2.814 385 Q HA 0.959 5.299 4.340 -0.000 0.000 0.322 385 Q C 1.122 176.948 176.000 -0.291 0.000 0.861 385 Q CA 0.922 56.616 55.803 -0.183 0.000 0.773 385 Q CB 0.660 29.335 28.738 -0.103 0.000 1.423 385 Q HN 2.940 nan 8.270 nan 0.000 0.495 386 G N -1.134 107.535 108.800 -0.218 0.000 2.992 386 G HA2 0.267 4.227 3.960 -0.000 0.000 0.229 386 G HA3 0.267 4.227 3.960 -0.000 0.000 0.229 386 G C -0.013 174.842 174.900 -0.074 0.000 1.969 386 G CA 0.641 45.650 45.100 -0.153 0.000 1.603 386 G HN 2.014 nan 8.290 nan 0.000 0.573 387 F N 0.033 119.986 119.950 0.006 0.000 2.594 387 F HA 0.909 5.436 4.527 -0.000 0.000 0.335 387 F C -0.253 175.567 175.800 0.032 0.000 1.058 387 F CA -1.870 56.140 58.000 0.017 0.000 0.981 387 F CB 1.051 40.066 39.000 0.026 0.000 1.289 387 F HN 0.308 nan 8.300 nan 0.000 0.490 388 L N 2.423 123.818 121.223 0.288 0.000 2.315 388 L HA 0.592 4.932 4.340 -0.000 0.000 0.283 388 L C -0.230 176.809 176.870 0.282 0.000 1.089 388 L CA -0.820 54.133 54.840 0.189 0.000 0.833 388 L CB -0.186 41.958 42.059 0.141 0.000 1.170 388 L HN 0.859 nan 8.230 nan 0.000 0.442 389 A N 6.034 128.975 122.820 0.202 0.000 2.273 389 A HA 0.698 5.018 4.320 -0.000 0.000 0.315 389 A C -0.988 176.675 177.584 0.132 0.000 1.256 389 A CA -0.454 51.715 52.037 0.219 0.000 0.851 389 A CB 0.480 19.611 19.000 0.219 0.000 1.172 389 A HN 0.531 nan 8.150 nan 0.000 0.508 390 L N 2.380 123.681 121.223 0.129 0.000 2.341 390 L HA 0.640 4.980 4.340 -0.000 0.000 0.267 390 L C -0.310 176.618 176.870 0.097 0.000 1.009 390 L CA -0.480 54.419 54.840 0.097 0.000 0.819 390 L CB 2.214 44.328 42.059 0.091 0.000 1.323 390 L HN 0.413 nan 8.230 nan 0.000 0.425 391 V N 1.634 121.598 119.914 0.083 0.000 2.459 391 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 391 V C -1.055 175.091 176.094 0.087 0.000 1.029 391 V CA -0.516 61.838 62.300 0.090 0.000 0.874 391 V CB 1.821 33.695 31.823 0.084 0.000 0.985 391 V HN 0.743 nan 8.190 nan 0.000 0.438 392 D N 1.533 121.993 120.400 0.099 0.000 2.732 392 D HA 0.309 4.949 4.640 -0.000 0.000 0.229 392 D C -0.113 176.265 176.300 0.130 0.000 1.152 392 D CA -0.504 53.557 54.000 0.101 0.000 0.854 392 D CB 1.806 42.654 40.800 0.080 0.000 1.590 392 D HN 0.392 nan 8.370 nan 0.000 0.468 393 Y N 2.680 122.949 120.300 -0.052 0.000 2.457 393 Y HA 0.350 4.900 4.550 -0.000 0.000 0.292 393 Y C 0.816 176.573 175.900 -0.239 0.000 1.125 393 Y CA 0.549 58.571 58.100 -0.130 0.000 1.254 393 Y CB -0.387 37.977 38.460 -0.159 0.000 1.012 393 Y HN 0.494 nan 8.280 nan 0.000 0.555 394 A N 1.677 124.403 122.820 -0.156 0.000 2.547 394 A HA -0.108 4.211 4.320 -0.000 0.000 0.269 394 A C 0.312 177.791 177.584 -0.175 0.000 1.041 394 A CA 1.094 53.019 52.037 -0.187 0.000 0.855 394 A CB -0.951 17.991 19.000 -0.096 0.000 0.934 394 A HN 0.693 nan 8.150 nan 0.000 0.521 395 H N 0.522 119.401 119.070 -0.319 0.000 3.233 395 H HA 0.392 4.948 4.556 0.000 0.000 0.263 395 H C -0.237 174.956 175.328 -0.225 0.000 1.168 395 H CA -0.433 55.445 56.048 -0.283 0.000 1.159 395 H CB 0.078 29.620 29.762 -0.366 0.000 1.593 395 H HN 0.455 nan 8.280 nan 0.000 0.580 396 K N 1.081 121.456 120.400 -0.041 0.000 2.328 396 K HA 0.315 4.635 4.320 -0.000 0.000 0.246 396 K C -2.163 174.361 176.600 -0.127 0.000 0.955 396 K CA -2.154 54.036 56.287 -0.161 0.000 0.817 396 K CB 2.581 34.944 32.500 -0.230 0.000 1.208 396 K HN -0.193 nan 8.250 nan 0.000 0.432 397 P HA -0.262 nan 4.420 nan 0.000 0.216 397 P C 1.187 178.437 177.300 -0.084 0.000 1.153 397 P CA 1.491 64.529 63.100 -0.103 0.000 0.858 397 P CB 0.343 31.998 31.700 -0.075 0.000 0.789 398 E N 0.409 120.566 120.200 -0.072 0.000 2.072 398 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 398 E C 1.942 178.507 176.600 -0.057 0.000 0.985 398 E CA 1.783 58.153 56.400 -0.050 0.000 0.801 398 E CB -1.236 28.446 29.700 -0.030 0.000 0.750 398 E HN 0.116 nan 8.360 nan 0.000 0.452 399 A N 1.766 124.548 122.820 -0.063 0.000 1.892 399 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 399 A C 2.364 179.900 177.584 -0.079 0.000 1.188 399 A CA 1.899 53.896 52.037 -0.067 0.000 0.631 399 A CB -0.896 18.088 19.000 -0.026 0.000 0.822 399 A HN 0.330 nan 8.150 nan 0.000 0.447 400 L N 0.045 121.203 121.223 -0.108 0.000 2.017 400 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 400 L C 2.559 179.381 176.870 -0.080 0.000 1.073 400 L CA 2.593 57.349 54.840 -0.140 0.000 0.745 400 L CB -0.656 41.246 42.059 -0.261 0.000 0.894 400 L HN 0.553 nan 8.230 nan 0.000 0.432 401 R N -0.308 120.154 120.500 -0.062 0.000 2.094 401 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 401 R C 2.352 178.660 176.300 0.013 0.000 1.137 401 R CA 2.320 58.405 56.100 -0.025 0.000 0.943 401 R CB -0.857 29.430 30.300 -0.020 0.000 0.850 401 R HN 0.631 nan 8.270 nan 0.000 0.433 402 S N 0.013 115.723 115.700 0.017 0.000 2.356 402 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 402 S C 2.112 176.840 174.600 0.214 0.000 1.032 402 S CA 1.335 59.585 58.200 0.084 0.000 1.005 402 S CB -0.786 62.412 63.200 -0.004 0.000 0.867 402 S HN 0.195 nan 8.310 nan 0.000 0.449 403 V N 2.759 122.778 119.914 0.174 0.000 2.252 403 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 403 V C 2.667 178.834 176.094 0.122 0.000 1.056 403 V CA 2.029 64.464 62.300 0.225 0.000 1.022 403 V CB -1.068 30.831 31.823 0.128 0.000 0.641 403 V HN 0.474 nan 8.190 nan 0.000 0.445 404 L N -0.078 121.183 121.223 0.063 0.000 2.127 404 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 404 L C 2.588 179.487 176.870 0.048 0.000 1.089 404 L CA 2.006 56.872 54.840 0.044 0.000 0.757 404 L CB -1.006 41.064 42.059 0.018 0.000 0.899 404 L HN 0.454 nan 8.230 nan 0.000 0.434 405 T N -1.564 113.022 114.554 0.054 0.000 2.812 405 T HA -0.125 4.225 4.350 -0.000 0.000 0.264 405 T C 1.839 176.552 174.700 0.021 0.000 1.042 405 T CA 1.706 63.831 62.100 0.041 0.000 1.140 405 T CB -0.424 68.471 68.868 0.045 0.000 0.870 405 T HN 0.481 nan 8.240 nan 0.000 0.445 406 T N 0.655 115.219 114.554 0.016 0.000 3.007 406 T HA 0.072 4.422 4.350 -0.000 0.000 0.270 406 T C 1.534 176.194 174.700 -0.067 0.000 1.107 406 T CA 0.597 62.643 62.100 -0.091 0.000 1.118 406 T CB -0.264 68.407 68.868 -0.329 0.000 0.889 406 T HN 0.116 nan 8.240 nan 0.000 0.506 407 L N 0.229 121.450 121.223 -0.003 0.000 2.590 407 L HA 0.547 4.887 4.340 -0.000 0.000 0.227 407 L C 1.307 178.216 176.870 0.065 0.000 1.099 407 L CA -0.042 54.815 54.840 0.029 0.000 0.872 407 L CB -0.185 41.901 42.059 0.046 0.000 1.088 407 L HN 0.286 nan 8.230 nan 0.000 0.479 408 A N -0.917 121.939 122.820 0.060 0.000 2.366 408 A HA 0.425 4.745 4.320 -0.000 0.000 0.272 408 A C -0.685 176.971 177.584 0.119 0.000 1.135 408 A CA 0.037 52.126 52.037 0.087 0.000 0.804 408 A CB -0.291 18.749 19.000 0.067 0.000 1.064 408 A HN 0.420 nan 8.150 nan 0.000 0.499 409 H N 3.331 122.417 119.070 0.027 0.000 2.759 409 H HA 0.478 5.034 4.556 -0.000 0.000 0.354 409 H C -2.600 172.744 175.328 0.026 0.000 1.074 409 H CA -2.092 53.968 56.048 0.021 0.000 1.226 409 H CB 2.005 31.779 29.762 0.019 0.000 1.648 409 H HN 0.539 nan 8.280 nan 0.000 0.529 410 P HA 0.103 nan 4.420 nan 0.000 0.269 410 P C 0.356 177.715 177.300 0.098 0.000 1.217 410 P CA 1.518 64.738 63.100 0.201 0.000 0.783 410 P CB 0.129 31.930 31.700 0.168 0.000 0.898 411 D N -3.001 117.408 120.400 0.016 0.000 3.068 411 D HA -0.073 4.567 4.640 -0.000 0.000 0.218 411 D C 0.375 176.607 176.300 -0.112 0.000 1.145 411 D CA 1.577 55.541 54.000 -0.059 0.000 0.896 411 D CB -2.301 38.447 40.800 -0.086 0.000 1.105 411 D HN 0.941 nan 8.370 nan 0.000 0.423 412 R N -0.651 119.811 120.500 -0.063 0.000 2.535 412 R HA 0.828 5.167 4.340 -0.000 0.000 0.274 412 R C -0.154 176.166 176.300 0.033 0.000 1.090 412 R CA -0.117 55.957 56.100 -0.043 0.000 0.930 412 R CB 0.988 31.247 30.300 -0.068 0.000 1.223 412 R HN 0.678 nan 8.270 nan 0.000 0.441 413 R N 0.891 121.415 120.500 0.040 0.000 2.457 413 R HA 0.671 5.011 4.340 -0.000 0.000 0.284 413 R C -0.548 175.913 176.300 0.270 0.000 1.024 413 R CA -0.610 55.578 56.100 0.146 0.000 1.025 413 R CB 1.567 31.898 30.300 0.052 0.000 1.063 413 R HN 0.559 nan 8.270 nan 0.000 0.493 414 L N 2.232 123.649 121.223 0.324 0.000 2.377 414 L HA 0.525 4.865 4.340 -0.000 0.000 0.270 414 L C -0.981 175.950 176.870 0.101 0.000 0.991 414 L CA -0.585 54.390 54.840 0.224 0.000 0.851 414 L CB 1.560 43.698 42.059 0.131 0.000 1.218 414 L HN 0.757 nan 8.230 nan 0.000 0.420 415 A N 4.768 127.567 122.820 -0.035 0.000 2.301 415 A HA 0.711 5.031 4.320 -0.000 0.000 0.298 415 A C -0.760 176.744 177.584 -0.133 0.000 1.185 415 A CA -0.371 51.424 52.037 -0.402 0.000 0.830 415 A CB 1.201 19.718 19.000 -0.805 0.000 1.112 415 A HN 0.422 nan 8.150 nan 0.000 0.508 416 V N 3.346 123.201 119.914 -0.098 0.000 2.444 416 V HA 0.515 4.635 4.120 -0.000 0.000 0.294 416 V C -0.203 175.935 176.094 0.073 0.000 1.022 416 V CA -0.607 61.718 62.300 0.043 0.000 0.850 416 V CB 1.335 33.232 31.823 0.124 0.000 0.992 416 V HN 0.901 nan 8.190 nan 0.000 0.426 417 V N 7.323 127.298 119.914 0.102 0.000 2.417 417 V HA 0.943 5.063 4.120 -0.000 0.000 0.291 417 V C -0.923 175.303 176.094 0.220 0.000 1.024 417 V CA -0.306 62.042 62.300 0.080 0.000 0.861 417 V CB 1.169 33.005 31.823 0.022 0.000 0.985 417 V HN 0.907 nan 8.190 nan 0.000 0.436 418 F N 3.798 123.731 119.950 -0.028 0.000 2.817 418 F HA 1.018 5.545 4.527 -0.000 0.000 0.317 418 F C -0.277 175.499 175.800 -0.040 0.000 1.168 418 F CA -0.167 57.819 58.000 -0.024 0.000 0.911 418 F CB 1.048 40.038 39.000 -0.018 0.000 1.337 418 F HN 0.892 nan 8.300 nan 0.000 0.464 419 G N -0.298 108.539 108.800 0.062 0.000 2.721 419 G HA2 0.826 4.786 3.960 -0.000 0.000 0.296 419 G HA3 0.826 4.786 3.960 -0.000 0.000 0.296 419 G C -2.256 172.726 174.900 0.136 0.000 1.383 419 G CA -0.562 44.503 45.100 -0.058 0.000 0.788 419 G HN 1.275 nan 8.290 nan 0.000 0.500 420 A N -1.192 121.658 122.820 0.050 0.000 2.380 420 A HA 0.865 5.185 4.320 -0.000 0.000 0.315 420 A C 0.306 177.895 177.584 0.008 0.000 1.101 420 A CA -0.046 52.024 52.037 0.056 0.000 0.771 420 A CB 1.517 20.550 19.000 0.055 0.000 1.287 420 A HN 1.778 nan 8.150 nan 0.000 0.436 421 G N 0.474 109.276 108.800 0.004 0.000 2.349 421 G HA2 0.489 4.449 3.960 -0.000 0.000 0.281 421 G HA3 0.489 4.449 3.960 -0.000 0.000 0.281 421 G C 0.454 175.346 174.900 -0.014 0.000 1.182 421 G CA 0.359 45.455 45.100 -0.007 0.000 0.899 421 G HN 1.101 nan 8.290 nan 0.000 0.455 422 G N 1.347 110.137 108.800 -0.018 0.000 2.527 422 G HA2 0.360 4.319 3.960 -0.000 0.000 0.248 422 G HA3 0.360 4.319 3.960 -0.000 0.000 0.248 422 G C 0.597 175.489 174.900 -0.013 0.000 1.231 422 G CA 0.143 45.232 45.100 -0.018 0.000 0.838 422 G HN 0.701 nan 8.290 nan 0.000 0.570 423 D N -1.274 119.118 120.400 -0.012 0.000 2.889 423 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 423 D C 1.031 177.326 176.300 -0.009 0.000 1.093 423 D CA 1.571 55.566 54.000 -0.008 0.000 1.006 423 D CB -0.056 40.741 40.800 -0.006 0.000 1.104 423 D HN 0.546 nan 8.370 nan 0.000 0.397 424 R N 1.720 122.212 120.500 -0.012 0.000 2.291 424 R HA 0.035 4.375 4.340 -0.000 0.000 0.333 424 R C -0.196 176.091 176.300 -0.021 0.000 1.082 424 R CA -0.013 56.077 56.100 -0.017 0.000 0.948 424 R CB 0.201 30.488 30.300 -0.022 0.000 1.009 424 R HN 0.067 nan 8.270 nan 0.000 0.460 425 D N 5.756 126.146 120.400 -0.017 0.000 3.441 425 D HA -0.132 4.508 4.640 -0.000 0.000 0.205 425 D C -1.437 174.851 176.300 -0.020 0.000 1.131 425 D CA -0.345 53.644 54.000 -0.018 0.000 1.030 425 D CB 0.563 41.348 40.800 -0.026 0.000 0.783 425 D HN 0.448 nan 8.370 nan 0.000 0.389 426 P HA -0.226 nan 4.420 nan 0.000 0.221 426 P C 1.493 178.784 177.300 -0.015 0.000 1.160 426 P CA 2.103 65.196 63.100 -0.013 0.000 0.933 426 P CB -0.231 31.464 31.700 -0.010 0.000 0.793 427 G N -0.267 108.523 108.800 -0.017 0.000 2.599 427 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.219 427 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.219 427 G C 1.795 176.684 174.900 -0.019 0.000 1.193 427 G CA 2.546 47.635 45.100 -0.017 0.000 0.778 427 G HN 0.527 nan 8.290 nan 0.000 0.589 428 K N 0.652 121.034 120.400 -0.031 0.000 2.442 428 K HA -0.110 4.210 4.320 -0.000 0.000 0.200 428 K C 2.362 178.956 176.600 -0.010 0.000 1.045 428 K CA 1.913 58.178 56.287 -0.037 0.000 0.937 428 K CB -0.503 31.957 32.500 -0.067 0.000 0.757 428 K HN 0.608 nan 8.250 nan 0.000 0.474 429 R N -0.559 119.945 120.500 0.006 0.000 2.064 429 R HA 0.034 4.374 4.340 -0.000 0.000 0.228 429 R C 2.906 179.236 176.300 0.050 0.000 1.144 429 R CA 1.278 57.401 56.100 0.039 0.000 0.932 429 R CB -0.609 29.705 30.300 0.022 0.000 0.833 429 R HN 0.440 nan 8.270 nan 0.000 0.429 430 A N 1.598 124.433 122.820 0.024 0.000 1.940 430 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 430 A C -0.422 177.177 177.584 0.025 0.000 1.176 430 A CA 1.280 53.330 52.037 0.022 0.000 0.631 430 A CB -1.418 17.586 19.000 0.008 0.000 0.814 430 A HN 0.201 nan 8.150 nan 0.000 0.446 431 P HA -0.188 nan 4.420 nan 0.000 0.214 431 P C 1.749 179.058 177.300 0.014 0.000 1.163 431 P CA 1.461 64.564 63.100 0.005 0.000 0.883 431 P CB -0.247 31.445 31.700 -0.013 0.000 0.788 432 M N -1.206 118.407 119.600 0.023 0.000 2.080 432 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 432 M C 2.333 178.710 176.300 0.128 0.000 1.068 432 M CA 2.326 57.635 55.300 0.014 0.000 1.109 432 M CB -1.659 30.942 32.600 0.002 0.000 1.342 432 M HN 0.017 nan 8.290 nan 0.000 0.405 433 G N 0.158 109.081 108.800 0.206 0.000 2.469 433 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 433 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 433 G C 1.730 176.693 174.900 0.105 0.000 1.136 433 G CA 1.770 46.987 45.100 0.195 0.000 0.759 433 G HN 0.521 nan 8.290 nan 0.000 0.562 434 R N 0.706 121.244 120.500 0.062 0.000 2.070 434 R HA 0.136 4.476 4.340 -0.000 0.000 0.232 434 R C 2.530 178.849 176.300 0.031 0.000 1.138 434 R CA 1.570 57.692 56.100 0.036 0.000 0.936 434 R CB -1.150 29.163 30.300 0.021 0.000 0.839 434 R HN 0.448 nan 8.270 nan 0.000 0.429 435 I N 1.077 121.657 120.570 0.018 0.000 2.194 435 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 435 I C 3.085 179.209 176.117 0.011 0.000 1.093 435 I CA 1.557 62.857 61.300 -0.000 0.000 1.355 435 I CB -0.381 37.599 38.000 -0.033 0.000 1.046 435 I HN 0.502 nan 8.210 nan 0.000 0.413 436 A N 0.697 123.540 122.820 0.039 0.000 1.877 436 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 436 A C 2.555 180.182 177.584 0.071 0.000 1.186 436 A CA 1.959 54.048 52.037 0.087 0.000 0.620 436 A CB -1.020 18.140 19.000 0.267 0.000 0.822 436 A HN 0.431 nan 8.150 nan 0.000 0.443 437 A N -1.232 121.626 122.820 0.063 0.000 2.024 437 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 437 A C 2.148 179.753 177.584 0.035 0.000 1.164 437 A CA 1.811 53.873 52.037 0.041 0.000 0.643 437 A CB -0.461 18.558 19.000 0.033 0.000 0.806 437 A HN 0.680 nan 8.150 nan 0.000 0.451 438 Q N -1.335 118.484 119.800 0.032 0.000 2.163 438 Q HA 0.118 4.458 4.340 -0.000 0.000 0.198 438 Q C 1.439 177.457 176.000 0.031 0.000 0.954 438 Q CA 0.928 56.747 55.803 0.027 0.000 0.851 438 Q CB 0.063 28.813 28.738 0.020 0.000 0.928 438 Q HN 0.644 nan 8.270 nan 0.000 0.459 439 L N -0.728 120.515 121.223 0.032 0.000 2.701 439 L HA 0.392 4.732 4.340 -0.000 0.000 0.238 439 L C 0.291 177.188 176.870 0.045 0.000 1.106 439 L CA -0.250 54.611 54.840 0.035 0.000 0.898 439 L CB 1.026 43.101 42.059 0.026 0.000 1.188 439 L HN -0.009 nan 8.230 nan 0.000 0.508 440 A N -0.664 122.182 122.820 0.043 0.000 2.299 440 A HA 0.436 4.756 4.320 -0.000 0.000 0.332 440 A C -0.234 177.380 177.584 0.049 0.000 1.131 440 A CA -0.363 51.700 52.037 0.043 0.000 0.844 440 A CB 0.736 19.750 19.000 0.024 0.000 1.251 440 A HN 0.162 nan 8.150 nan 0.000 0.486 441 D N -0.505 119.937 120.400 0.070 0.000 2.277 441 D HA 0.165 4.805 4.640 -0.000 0.000 0.209 441 D C 0.049 176.379 176.300 0.050 0.000 0.970 441 D CA 0.504 54.577 54.000 0.122 0.000 0.874 441 D CB 0.392 41.352 40.800 0.268 0.000 0.982 441 D HN 0.243 nan 8.370 nan 0.000 0.504 442 L N 1.621 122.749 121.223 -0.158 0.000 2.381 442 L HA 0.491 4.830 4.340 -0.000 0.000 0.274 442 L C -1.366 175.342 176.870 -0.269 0.000 0.988 442 L CA -0.927 53.695 54.840 -0.362 0.000 0.824 442 L CB 1.896 43.305 42.059 -1.085 0.000 1.263 442 L HN -0.132 nan 8.230 nan 0.000 0.410 443 V N 4.712 124.532 119.914 -0.156 0.000 2.495 443 V HA 0.655 4.775 4.120 -0.000 0.000 0.298 443 V C -1.018 174.984 176.094 -0.153 0.000 1.031 443 V CA -0.303 61.938 62.300 -0.099 0.000 0.871 443 V CB 1.978 33.812 31.823 0.018 0.000 0.988 443 V HN 0.443 nan 8.190 nan 0.000 0.432 444 V N 6.180 125.994 119.914 -0.167 0.000 2.409 444 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 444 V C -0.032 175.888 176.094 -0.291 0.000 1.020 444 V CA -0.530 61.655 62.300 -0.192 0.000 0.848 444 V CB 1.578 33.324 31.823 -0.128 0.000 0.990 444 V HN 0.806 nan 8.190 nan 0.000 0.430 445 V N 5.174 124.903 119.914 -0.309 0.000 2.383 445 V HA 0.602 4.722 4.120 -0.000 0.000 0.275 445 V C 0.407 176.330 176.094 -0.286 0.000 1.036 445 V CA 0.094 62.148 62.300 -0.410 0.000 0.889 445 V CB 1.460 33.068 31.823 -0.359 0.000 0.985 445 V HN 1.048 nan 8.190 nan 0.000 0.459 446 T N 2.282 116.662 114.554 -0.290 0.000 2.742 446 T HA 0.422 4.772 4.350 -0.000 0.000 0.282 446 T C -1.110 173.489 174.700 -0.169 0.000 1.025 446 T CA -0.859 61.126 62.100 -0.191 0.000 1.020 446 T CB 1.462 70.238 68.868 -0.153 0.000 1.317 446 T HN 0.505 nan 8.240 nan 0.000 0.538 447 D N 1.752 122.062 120.400 -0.150 0.000 2.304 447 D HA 0.461 5.101 4.640 -0.000 0.000 0.250 447 D C -0.677 175.532 176.300 -0.151 0.000 1.107 447 D CA 0.089 54.007 54.000 -0.138 0.000 0.885 447 D CB 1.093 41.812 40.800 -0.135 0.000 1.192 447 D HN 0.618 nan 8.370 nan 0.000 0.436 448 D N 1.633 121.971 120.400 -0.103 0.000 2.364 448 D HA 0.096 4.736 4.640 -0.000 0.000 0.251 448 D C -0.925 175.344 176.300 -0.052 0.000 1.282 448 D CA -0.547 53.405 54.000 -0.080 0.000 0.927 448 D CB -0.322 40.469 40.800 -0.015 0.000 1.267 448 D HN 0.171 nan 8.370 nan 0.000 0.531 449 N N 3.542 122.201 118.700 -0.068 0.000 2.648 449 N HA -0.114 4.626 4.740 -0.000 0.000 0.265 449 N C -1.874 173.615 175.510 -0.035 0.000 1.100 449 N CA 0.536 53.561 53.050 -0.042 0.000 0.715 449 N CB -0.425 38.052 38.487 -0.017 0.000 0.881 449 N HN 0.471 nan 8.380 nan 0.000 0.548 450 P HA -0.140 nan 4.420 nan 0.000 0.225 450 P C 0.887 178.172 177.300 -0.026 0.000 1.148 450 P CA 0.988 64.066 63.100 -0.037 0.000 0.779 450 P CB 0.353 32.026 31.700 -0.044 0.000 0.780 451 R N -1.069 119.418 120.500 -0.022 0.000 3.938 451 R HA -0.218 4.121 4.340 -0.000 0.000 0.421 451 R C 0.762 177.055 176.300 -0.013 0.000 0.241 451 R CA 2.252 58.344 56.100 -0.014 0.000 1.341 451 R CB -2.502 27.792 30.300 -0.011 0.000 1.049 451 R HN 0.220 nan 8.270 nan 0.000 0.540 452 D N 1.381 121.775 120.400 -0.009 0.000 3.032 452 D HA 0.326 4.966 4.640 -0.000 0.000 0.241 452 D C 0.193 176.488 176.300 -0.010 0.000 1.196 452 D CA 0.901 54.896 54.000 -0.008 0.000 0.927 452 D CB -0.305 40.492 40.800 -0.004 0.000 1.129 452 D HN 0.478 nan 8.370 nan 0.000 0.458 453 E N -0.149 120.043 120.200 -0.014 0.000 2.383 453 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 453 E C -1.566 175.023 176.600 -0.019 0.000 0.918 453 E CA -0.787 55.603 56.400 -0.015 0.000 0.764 453 E CB 1.808 31.499 29.700 -0.016 0.000 1.252 453 E HN 0.062 nan 8.360 nan 0.000 0.449 454 D N 3.560 123.948 120.400 -0.019 0.000 2.382 454 D HA 0.057 4.697 4.640 -0.000 0.000 0.259 454 D C -1.713 174.569 176.300 -0.029 0.000 1.224 454 D CA -1.572 52.414 54.000 -0.023 0.000 0.894 454 D CB 1.427 42.215 40.800 -0.021 0.000 1.127 454 D HN 0.250 nan 8.370 nan 0.000 0.487 455 P HA -0.036 nan 4.420 nan 0.000 0.222 455 P C 1.055 178.326 177.300 -0.049 0.000 1.153 455 P CA 0.840 63.913 63.100 -0.044 0.000 0.798 455 P CB 0.312 31.982 31.700 -0.049 0.000 0.796 456 T N -1.202 113.326 114.554 -0.044 0.000 2.985 456 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 456 T C 1.873 176.547 174.700 -0.042 0.000 1.076 456 T CA 1.028 63.100 62.100 -0.046 0.000 1.135 456 T CB -0.682 68.162 68.868 -0.040 0.000 0.890 456 T HN 0.010 nan 8.240 nan 0.000 0.480 457 A N 2.091 124.890 122.820 -0.035 0.000 1.851 457 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 457 A C 2.222 179.785 177.584 -0.034 0.000 1.195 457 A CA 1.406 53.425 52.037 -0.030 0.000 0.622 457 A CB -0.951 18.034 19.000 -0.024 0.000 0.831 457 A HN 0.482 nan 8.150 nan 0.000 0.444 458 I N -0.709 119.839 120.570 -0.036 0.000 2.087 458 I HA -0.370 3.800 4.170 -0.000 0.000 0.240 458 I C 2.811 178.898 176.117 -0.050 0.000 1.054 458 I CA 2.044 63.322 61.300 -0.038 0.000 1.311 458 I CB -0.473 37.503 38.000 -0.040 0.000 1.024 458 I HN 0.299 nan 8.210 nan 0.000 0.402 459 R N 0.341 120.800 120.500 -0.069 0.000 2.091 459 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 459 R C 2.733 178.986 176.300 -0.078 0.000 1.136 459 R CA 1.854 57.897 56.100 -0.095 0.000 0.959 459 R CB -0.605 29.631 30.300 -0.107 0.000 0.856 459 R HN 0.437 nan 8.270 nan 0.000 0.437 460 R N 1.398 121.863 120.500 -0.058 0.000 2.148 460 R HA -0.145 4.194 4.340 -0.000 0.000 0.227 460 R C 1.791 178.069 176.300 -0.036 0.000 1.103 460 R CA 1.855 57.928 56.100 -0.046 0.000 0.983 460 R CB -0.785 29.492 30.300 -0.038 0.000 0.874 460 R HN 0.370 nan 8.270 nan 0.000 0.451 461 E N 0.518 120.699 120.200 -0.031 0.000 2.112 461 E HA 0.003 4.352 4.350 -0.000 0.000 0.190 461 E C 1.891 178.484 176.600 -0.012 0.000 0.979 461 E CA 1.190 57.579 56.400 -0.018 0.000 0.814 461 E CB -0.154 29.538 29.700 -0.013 0.000 0.762 461 E HN 0.632 nan 8.360 nan 0.000 0.460 462 I N 0.445 121.003 120.570 -0.020 0.000 2.226 462 I HA -0.245 3.924 4.170 -0.000 0.000 0.245 462 I C 2.145 178.251 176.117 -0.017 0.000 1.100 462 I CA 0.914 62.211 61.300 -0.005 0.000 1.374 462 I CB -0.326 37.645 38.000 -0.049 0.000 1.057 462 I HN 0.144 nan 8.210 nan 0.000 0.413 463 L N 0.681 121.876 121.223 -0.046 0.000 2.275 463 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 463 L C 2.833 179.689 176.870 -0.023 0.000 1.119 463 L CA 0.852 55.666 54.840 -0.044 0.000 0.790 463 L CB -0.685 41.339 42.059 -0.059 0.000 0.919 463 L HN 0.227 nan 8.230 nan 0.000 0.443 464 A N 0.628 123.437 122.820 -0.017 0.000 1.877 464 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 464 A C 2.463 180.047 177.584 -0.001 0.000 1.186 464 A CA 1.685 53.716 52.037 -0.009 0.000 0.620 464 A CB -1.314 17.681 19.000 -0.009 0.000 0.822 464 A HN 0.407 nan 8.150 nan 0.000 0.443 465 G N -0.328 108.476 108.800 0.007 0.000 2.469 465 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.220 465 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.220 465 G C 1.700 176.611 174.900 0.019 0.000 1.136 465 G CA 1.591 46.703 45.100 0.018 0.000 0.759 465 G HN 0.903 nan 8.290 nan 0.000 0.562 466 A N 1.071 123.899 122.820 0.014 0.000 2.024 466 A HA 0.243 4.563 4.320 -0.000 0.000 0.220 466 A C 2.797 180.384 177.584 0.005 0.000 1.164 466 A CA 2.067 54.110 52.037 0.010 0.000 0.643 466 A CB -0.690 18.306 19.000 -0.006 0.000 0.806 466 A HN 0.915 nan 8.150 nan 0.000 0.451 467 A N 0.983 123.804 122.820 0.001 0.000 1.896 467 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 467 A C 1.664 179.250 177.584 0.003 0.000 1.206 467 A CA 1.870 53.907 52.037 -0.000 0.000 0.647 467 A CB -0.634 18.365 19.000 -0.002 0.000 0.828 467 A HN 0.606 nan 8.150 nan 0.000 0.455 468 E N 0.604 120.808 120.200 0.006 0.000 2.510 468 E HA -0.087 4.263 4.350 -0.000 0.000 0.202 468 E C 1.679 178.286 176.600 0.010 0.000 1.072 468 E CA 0.725 57.130 56.400 0.008 0.000 0.883 468 E CB -1.355 28.350 29.700 0.009 0.000 0.818 468 E HN 0.463 nan 8.360 nan 0.000 0.548 469 V N 2.130 122.051 119.914 0.011 0.000 2.231 469 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 469 V C 1.861 177.964 176.094 0.015 0.000 1.058 469 V CA 3.418 65.727 62.300 0.014 0.000 1.022 469 V CB -1.007 30.823 31.823 0.013 0.000 0.640 469 V HN 0.522 nan 8.190 nan 0.000 0.445 470 G N -1.728 107.079 108.800 0.012 0.000 2.322 470 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 470 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 470 G C 1.286 176.196 174.900 0.015 0.000 0.992 470 G CA 1.297 46.405 45.100 0.012 0.000 0.624 470 G HN 1.727 nan 8.290 nan 0.000 0.543 471 G N -0.653 108.159 108.800 0.019 0.000 3.791 471 G HA2 0.258 4.218 3.960 -0.000 0.000 0.117 471 G HA3 0.258 4.218 3.960 -0.000 0.000 0.117 471 G C 0.549 175.467 174.900 0.030 0.000 1.177 471 G CA 1.091 46.205 45.100 0.023 0.000 1.242 471 G HN 0.357 nan 8.290 nan 0.000 0.502 472 D N 1.576 121.995 120.400 0.032 0.000 2.127 472 D HA 0.090 4.730 4.640 -0.000 0.000 0.190 472 D C 1.841 178.171 176.300 0.049 0.000 1.000 472 D CA 1.770 55.795 54.000 0.042 0.000 0.839 472 D CB -0.383 40.441 40.800 0.041 0.000 0.955 472 D HN 0.573 nan 8.370 nan 0.000 0.446 473 A N -0.741 122.103 122.820 0.040 0.000 2.346 473 A HA 0.347 4.667 4.320 -0.000 0.000 0.255 473 A C 0.056 177.661 177.584 0.035 0.000 1.113 473 A CA 0.059 52.118 52.037 0.037 0.000 0.798 473 A CB 0.394 19.409 19.000 0.025 0.000 1.073 473 A HN 0.356 nan 8.150 nan 0.000 0.502 474 Q N -0.534 119.279 119.800 0.020 0.000 2.444 474 Q HA 0.482 4.822 4.340 -0.000 0.000 0.239 474 Q C -1.573 174.411 176.000 -0.025 0.000 0.853 474 Q CA -0.484 55.331 55.803 0.019 0.000 0.856 474 Q CB 1.585 30.362 28.738 0.066 0.000 1.413 474 Q HN 1.241 nan 8.270 nan 0.000 0.437 475 V N 1.656 121.550 119.914 -0.033 0.000 2.715 475 V HA 0.990 5.110 4.120 -0.000 0.000 0.310 475 V C -1.450 174.594 176.094 -0.083 0.000 1.054 475 V CA -0.348 61.912 62.300 -0.066 0.000 0.928 475 V CB 1.827 33.617 31.823 -0.056 0.000 1.007 475 V HN 0.551 nan 8.190 nan 0.000 0.437 476 V N 3.247 123.086 119.914 -0.124 0.000 3.120 476 V HA 0.625 4.745 4.120 -0.000 0.000 0.303 476 V C -1.122 174.870 176.094 -0.169 0.000 1.238 476 V CA -0.349 61.864 62.300 -0.146 0.000 1.008 476 V CB 2.196 33.905 31.823 -0.190 0.000 1.064 476 V HN 1.229 nan 8.190 nan 0.000 0.434 477 E N 4.616 124.722 120.200 -0.156 0.000 2.114 477 E HA 0.558 4.908 4.350 -0.000 0.000 0.266 477 E C -1.480 175.030 176.600 -0.149 0.000 0.896 477 E CA -0.536 55.773 56.400 -0.152 0.000 0.750 477 E CB 1.271 30.898 29.700 -0.122 0.000 1.121 477 E HN 0.651 nan 8.360 nan 0.000 0.413 478 I N 4.632 125.110 120.570 -0.153 0.000 2.420 478 I HA 0.259 4.429 4.170 -0.000 0.000 0.282 478 I C 0.925 176.978 176.117 -0.107 0.000 1.019 478 I CA -0.379 60.846 61.300 -0.125 0.000 1.130 478 I CB 1.702 39.625 38.000 -0.127 0.000 1.262 478 I HN 0.669 nan 8.210 nan 0.000 0.454 479 A N 4.076 126.841 122.820 -0.090 0.000 1.902 479 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 479 A C 1.132 178.666 177.584 -0.083 0.000 1.181 479 A CA 1.194 53.178 52.037 -0.088 0.000 0.623 479 A CB -0.204 18.754 19.000 -0.070 0.000 0.818 479 A HN 0.709 nan 8.150 nan 0.000 0.443 480 D N -0.793 119.572 120.400 -0.058 0.000 2.371 480 D HA 0.106 4.746 4.640 -0.000 0.000 0.256 480 D C 1.140 177.420 176.300 -0.033 0.000 1.193 480 D CA -0.060 53.917 54.000 -0.038 0.000 0.881 480 D CB 0.622 41.422 40.800 -0.001 0.000 1.143 480 D HN 0.279 nan 8.370 nan 0.000 0.473 481 R N 3.266 123.718 120.500 -0.079 0.000 2.075 481 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 481 R C 2.224 178.616 176.300 0.154 0.000 1.126 481 R CA 1.485 57.535 56.100 -0.084 0.000 0.963 481 R CB 0.085 30.106 30.300 -0.464 0.000 0.858 481 R HN 0.507 nan 8.270 nan 0.000 0.435 482 R N 0.134 120.808 120.500 0.290 0.000 2.081 482 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 482 R C 1.232 177.625 176.300 0.155 0.000 1.131 482 R CA 2.122 58.394 56.100 0.287 0.000 0.960 482 R CB -0.386 30.061 30.300 0.245 0.000 0.856 482 R HN 0.114 nan 8.270 nan 0.000 0.436 483 D N 0.880 121.344 120.400 0.107 0.000 2.144 483 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 483 D C 1.961 178.310 176.300 0.082 0.000 0.978 483 D CA 1.677 55.724 54.000 0.079 0.000 0.833 483 D CB -0.314 40.512 40.800 0.044 0.000 0.961 483 D HN 0.441 nan 8.370 nan 0.000 0.470 484 A N 0.745 123.598 122.820 0.054 0.000 1.883 484 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 484 A C 2.345 179.987 177.584 0.095 0.000 1.186 484 A CA 1.130 53.193 52.037 0.043 0.000 0.624 484 A CB -0.795 18.201 19.000 -0.006 0.000 0.822 484 A HN 0.224 nan 8.150 nan 0.000 0.444 485 I N -1.097 119.544 120.570 0.118 0.000 2.226 485 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 485 I C 2.823 179.013 176.117 0.121 0.000 1.100 485 I CA 1.492 62.867 61.300 0.126 0.000 1.374 485 I CB -0.374 37.719 38.000 0.156 0.000 1.057 485 I HN 0.314 nan 8.210 nan 0.000 0.413 486 R N -0.426 120.149 120.500 0.125 0.000 2.075 486 R HA -0.215 4.125 4.340 -0.000 0.000 0.232 486 R C 2.376 178.750 176.300 0.124 0.000 1.126 486 R CA 1.651 57.821 56.100 0.117 0.000 0.963 486 R CB -0.669 29.694 30.300 0.105 0.000 0.858 486 R HN 0.415 nan 8.270 nan 0.000 0.435 487 H N 0.918 120.017 119.070 0.049 0.000 2.290 487 H HA -0.093 4.463 4.556 0.000 0.000 0.298 487 H C 1.895 177.263 175.328 0.067 0.000 1.087 487 H CA 2.125 58.200 56.048 0.045 0.000 1.291 487 H CB -0.184 29.581 29.762 0.005 0.000 1.369 487 H HN 0.238 nan 8.280 nan 0.000 0.492 488 A N -0.068 122.753 122.820 0.003 0.000 1.972 488 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 488 A C 2.667 180.262 177.584 0.018 0.000 1.169 488 A CA 1.653 53.646 52.037 -0.073 0.000 0.635 488 A CB -0.796 18.170 19.000 -0.057 0.000 0.810 488 A HN 0.367 nan 8.150 nan 0.000 0.446 489 V N -0.610 119.330 119.914 0.045 0.000 2.548 489 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 489 V C 2.860 178.969 176.094 0.026 0.000 1.055 489 V CA 1.611 63.959 62.300 0.079 0.000 1.065 489 V CB -0.760 31.184 31.823 0.203 0.000 0.681 489 V HN 0.585 nan 8.190 nan 0.000 0.462 490 A N -1.326 121.503 122.820 0.016 0.000 2.119 490 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 490 A C 1.887 179.438 177.584 -0.054 0.000 1.152 490 A CA 0.981 53.015 52.037 -0.004 0.000 0.708 490 A CB -0.676 18.328 19.000 0.007 0.000 0.805 490 A HN 0.807 nan 8.150 nan 0.000 0.460 491 W N 0.567 121.667 121.300 -0.333 0.000 2.737 491 W HA 0.453 5.114 4.660 0.000 0.000 0.262 491 W C 0.842 177.177 176.519 -0.307 0.000 1.282 491 W CA 0.363 57.510 57.345 -0.330 0.000 1.386 491 W CB 0.015 29.223 29.460 -0.419 0.000 1.099 491 W HN 0.283 nan 8.180 nan 0.000 0.621 492 A N 2.786 125.406 122.820 -0.334 0.000 2.440 492 A HA 0.442 4.762 4.320 -0.000 0.000 0.251 492 A C 0.034 177.242 177.584 -0.627 0.000 1.089 492 A CA -0.241 51.334 52.037 -0.770 0.000 0.779 492 A CB 0.243 18.387 19.000 -1.427 0.000 1.022 492 A HN 0.233 nan 8.150 nan 0.000 0.492 493 R N 1.815 121.994 120.500 -0.536 0.000 2.720 493 R HA 0.416 4.756 4.340 -0.000 0.000 0.272 493 R C -2.717 173.557 176.300 -0.043 0.000 0.991 493 R CA -2.206 53.749 56.100 -0.243 0.000 1.010 493 R CB 0.711 30.844 30.300 -0.279 0.000 1.141 493 R HN 0.447 nan 8.270 nan 0.000 0.494 494 P HA -0.141 nan 4.420 nan 0.000 0.259 494 P C 0.705 178.043 177.300 0.063 0.000 1.155 494 P CA 1.322 64.489 63.100 0.111 0.000 0.759 494 P CB 0.140 31.864 31.700 0.040 0.000 0.753 495 G N 2.220 111.087 108.800 0.111 0.000 2.225 495 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.254 495 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.254 495 G C 0.104 175.041 174.900 0.062 0.000 0.988 495 G CA -0.016 45.120 45.100 0.061 0.000 0.625 495 G HN 0.496 nan 8.290 nan 0.000 0.527 496 D N -0.450 119.988 120.400 0.063 0.000 2.393 496 D HA 0.526 5.166 4.640 -0.000 0.000 0.246 496 D C 0.609 177.008 176.300 0.164 0.000 1.275 496 D CA 0.567 54.597 54.000 0.051 0.000 0.979 496 D CB 1.705 42.440 40.800 -0.109 0.000 1.101 496 D HN 0.868 nan 8.370 nan 0.000 0.505 497 V N -0.757 119.271 119.914 0.189 0.000 2.709 497 V HA 0.600 4.720 4.120 -0.000 0.000 0.308 497 V C -0.980 175.241 176.094 0.212 0.000 1.062 497 V CA -0.776 61.651 62.300 0.212 0.000 0.901 497 V CB 1.812 33.730 31.823 0.159 0.000 1.003 497 V HN 0.368 nan 8.190 nan 0.000 0.425 498 V N 5.410 125.454 119.914 0.217 0.000 2.448 498 V HA 0.818 4.938 4.120 -0.000 0.000 0.295 498 V C -1.000 175.178 176.094 0.141 0.000 1.025 498 V CA -0.630 61.762 62.300 0.153 0.000 0.859 498 V CB 1.324 33.230 31.823 0.139 0.000 0.988 498 V HN 1.098 nan 8.190 nan 0.000 0.431 499 L N 6.874 128.157 121.223 0.100 0.000 2.325 499 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 499 L C -0.556 176.374 176.870 0.101 0.000 1.004 499 L CA -0.420 54.478 54.840 0.098 0.000 0.823 499 L CB 1.512 43.621 42.059 0.082 0.000 1.236 499 L HN 0.674 nan 8.230 nan 0.000 0.415 500 I N 5.507 126.145 120.570 0.113 0.000 2.287 500 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 500 I C 0.596 176.792 176.117 0.132 0.000 1.069 500 I CA -0.217 61.160 61.300 0.128 0.000 1.237 500 I CB 0.261 38.344 38.000 0.138 0.000 1.418 500 I HN 0.683 nan 8.210 nan 0.000 0.481 501 A N 3.943 126.852 122.820 0.148 0.000 2.269 501 A HA 0.767 5.087 4.320 -0.000 0.000 0.319 501 A C 1.102 178.765 177.584 0.131 0.000 1.110 501 A CA 0.273 52.377 52.037 0.112 0.000 0.847 501 A CB 0.956 19.980 19.000 0.040 0.000 1.161 501 A HN 1.135 nan 8.150 nan 0.000 0.497 502 G N -0.283 108.554 108.800 0.062 0.000 2.195 502 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.246 502 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.246 502 G C 0.830 175.779 174.900 0.083 0.000 0.984 502 G CA 0.844 45.975 45.100 0.052 0.000 0.633 502 G HN 0.722 nan 8.290 nan 0.000 0.525 503 K N -0.424 120.064 120.400 0.147 0.000 2.344 503 K HA 0.411 4.731 4.320 -0.000 0.000 0.200 503 K C 2.069 178.863 176.600 0.323 0.000 1.132 503 K CA 0.883 57.289 56.287 0.199 0.000 0.935 503 K CB 0.428 33.021 32.500 0.155 0.000 1.089 503 K HN 1.118 nan 8.250 nan 0.000 0.496 504 G N 2.551 111.518 108.800 0.277 0.000 2.596 504 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.304 504 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.304 504 G C 0.697 175.683 174.900 0.144 0.000 1.189 504 G CA 0.984 46.231 45.100 0.245 0.000 0.986 504 G HN 0.575 nan 8.290 nan 0.000 0.548 505 H N 1.968 120.967 119.070 -0.118 0.000 2.512 505 H HA 0.290 4.846 4.556 0.000 0.000 0.279 505 H C 1.252 176.553 175.328 -0.044 0.000 0.999 505 H CA 1.327 57.309 56.048 -0.109 0.000 1.283 505 H CB -0.429 29.215 29.762 -0.197 0.000 1.421 505 H HN 0.594 nan 8.280 nan 0.000 0.554 506 E N 2.391 122.201 120.200 -0.651 0.000 2.436 506 E HA 0.103 4.453 4.350 -0.000 0.000 0.262 506 E C -0.050 176.488 176.600 -0.103 0.000 1.063 506 E CA 0.649 56.802 56.400 -0.412 0.000 0.944 506 E CB 0.628 30.209 29.700 -0.198 0.000 0.950 506 E HN 0.598 nan 8.360 nan 0.000 0.444 507 T N 0.094 114.618 114.554 -0.050 0.000 2.887 507 T HA 0.791 5.141 4.350 -0.000 0.000 0.292 507 T C 0.223 174.966 174.700 0.071 0.000 1.087 507 T CA -0.503 61.624 62.100 0.045 0.000 1.009 507 T CB 1.324 70.207 68.868 0.026 0.000 1.203 507 T HN 1.013 nan 8.240 nan 0.000 0.518 508 G N 0.578 109.462 108.800 0.140 0.000 2.716 508 G HA2 0.068 4.028 3.960 -0.000 0.000 0.686 508 G HA3 0.068 4.028 3.960 -0.000 0.000 0.686 508 G C -1.119 173.829 174.900 0.080 0.000 1.337 508 G CA -0.901 44.270 45.100 0.118 0.000 0.829 508 G HN 0.812 nan 8.290 nan 0.000 0.599 509 Q N 0.241 120.067 119.800 0.043 0.000 2.348 509 Q HA 0.668 5.008 4.340 -0.000 0.000 0.265 509 Q C 0.677 176.664 176.000 -0.021 0.000 0.998 509 Q CA -0.052 55.721 55.803 -0.049 0.000 0.831 509 Q CB 1.565 30.228 28.738 -0.125 0.000 1.251 509 Q HN 1.199 nan 8.270 nan 0.000 0.456 510 R N 0.549 121.035 120.500 -0.023 0.000 2.254 510 R HA 0.670 5.010 4.340 -0.000 0.000 0.318 510 R C 0.459 176.746 176.300 -0.021 0.000 1.031 510 R CA -0.039 56.054 56.100 -0.013 0.000 0.905 510 R CB 0.684 30.981 30.300 -0.005 0.000 1.050 510 R HN 0.705 nan 8.270 nan 0.000 0.456 511 G N 0.836 109.627 108.800 -0.016 0.000 4.142 511 G HA2 0.596 4.556 3.960 -0.000 0.000 0.310 511 G HA3 0.596 4.556 3.960 -0.000 0.000 0.310 511 G C 0.565 175.458 174.900 -0.012 0.000 1.384 511 G CA 0.527 45.616 45.100 -0.019 0.000 0.838 511 G HN 1.808 nan 8.290 nan 0.000 0.512 512 G N 0.487 109.281 108.800 -0.009 0.000 2.513 512 G HA2 0.160 4.120 3.960 -0.000 0.000 0.227 512 G HA3 0.160 4.120 3.960 -0.000 0.000 0.227 512 G C 1.266 176.165 174.900 -0.002 0.000 1.176 512 G CA 0.366 45.463 45.100 -0.005 0.000 0.967 512 G HN 1.344 nan 8.290 nan 0.000 0.587 513 G N 0.732 109.532 108.800 -0.000 0.000 2.408 513 G HA2 0.462 4.422 3.960 -0.000 0.000 0.215 513 G HA3 0.462 4.422 3.960 -0.000 0.000 0.215 513 G C 1.294 176.196 174.900 0.003 0.000 1.156 513 G CA 2.125 47.227 45.100 0.002 0.000 0.793 513 G HN 1.906 nan 8.290 nan 0.000 0.535 514 R N 0.191 120.693 120.500 0.003 0.000 2.619 514 R HA 0.407 4.747 4.340 -0.000 0.000 0.268 514 R C 0.155 176.458 176.300 0.006 0.000 0.990 514 R CA 0.695 56.798 56.100 0.005 0.000 1.092 514 R CB -0.800 29.503 30.300 0.004 0.000 0.935 514 R HN 0.962 nan 8.270 nan 0.000 0.415 515 V N 0.723 120.643 119.914 0.011 0.000 2.564 515 V HA 0.415 4.535 4.120 -0.000 0.000 0.259 515 V C -0.079 176.031 176.094 0.027 0.000 0.936 515 V CA -1.166 61.144 62.300 0.015 0.000 0.867 515 V CB 0.973 32.804 31.823 0.014 0.000 1.076 515 V HN 0.857 nan 8.190 nan 0.000 0.476 516 R N 4.174 124.694 120.500 0.033 0.000 2.442 516 R HA 0.385 4.725 4.340 -0.000 0.000 0.291 516 R C -2.436 173.920 176.300 0.094 0.000 1.069 516 R CA -1.662 54.471 56.100 0.056 0.000 1.022 516 R CB 1.679 32.012 30.300 0.054 0.000 0.976 516 R HN 0.446 nan 8.270 nan 0.000 0.443 517 P HA 0.086 nan 4.420 nan 0.000 0.268 517 P C -0.990 176.429 177.300 0.198 0.000 1.204 517 P CA 0.261 63.425 63.100 0.106 0.000 0.768 517 P CB 0.348 32.081 31.700 0.054 0.000 0.842 518 F N 2.009 121.960 119.950 0.001 0.000 2.622 518 F HA 0.318 4.845 4.527 0.000 0.000 0.318 518 F C -1.497 174.305 175.800 0.004 0.000 1.135 518 F CA -0.534 57.469 58.000 0.005 0.000 1.015 518 F CB 2.025 41.029 39.000 0.007 0.000 1.275 518 F HN 0.157 nan 8.300 nan 0.000 0.457 519 D N 4.266 124.473 120.400 -0.321 0.000 2.696 519 D HA 0.232 4.872 4.640 -0.000 0.000 0.251 519 D C 0.054 176.232 176.300 -0.203 0.000 1.188 519 D CA -0.268 53.658 54.000 -0.123 0.000 0.876 519 D CB 1.820 42.566 40.800 -0.090 0.000 1.334 519 D HN 0.517 nan 8.370 nan 0.000 0.540 520 D N 2.453 122.887 120.400 0.055 0.000 2.144 520 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 520 D C 1.699 178.016 176.300 0.028 0.000 0.984 520 D CA 0.944 55.008 54.000 0.107 0.000 0.834 520 D CB 0.420 41.344 40.800 0.207 0.000 0.955 520 D HN 0.318 nan 8.370 nan 0.000 0.465 521 R N 0.267 120.775 120.500 0.014 0.000 2.080 521 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 521 R C 2.448 178.731 176.300 -0.027 0.000 1.137 521 R CA 0.589 56.691 56.100 0.004 0.000 0.943 521 R CB -1.003 29.299 30.300 0.004 0.000 0.846 521 R HN 0.099 nan 8.270 nan 0.000 0.431 522 V N 1.099 120.971 119.914 -0.070 0.000 2.343 522 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 522 V C 2.070 178.096 176.094 -0.114 0.000 1.051 522 V CA 1.749 63.993 62.300 -0.093 0.000 1.036 522 V CB -0.453 31.295 31.823 -0.125 0.000 0.654 522 V HN 0.237 nan 8.190 nan 0.000 0.451 523 E N -0.038 120.051 120.200 -0.186 0.000 2.077 523 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 523 E C 2.055 178.636 176.600 -0.032 0.000 0.989 523 E CA 0.996 57.296 56.400 -0.165 0.000 0.800 523 E CB -0.563 28.971 29.700 -0.276 0.000 0.746 523 E HN 0.442 nan 8.360 nan 0.000 0.452 524 L N 0.803 122.029 121.223 0.004 0.000 2.017 524 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 524 L C 2.152 179.048 176.870 0.042 0.000 1.073 524 L CA 2.096 56.968 54.840 0.054 0.000 0.745 524 L CB -0.921 41.182 42.059 0.074 0.000 0.894 524 L HN 0.067 nan 8.230 nan 0.000 0.432 525 A N -0.626 122.202 122.820 0.013 0.000 1.902 525 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 525 A C 2.453 180.039 177.584 0.003 0.000 1.181 525 A CA 1.838 53.878 52.037 0.004 0.000 0.623 525 A CB -1.186 17.809 19.000 -0.008 0.000 0.818 525 A HN 0.561 nan 8.150 nan 0.000 0.443 526 A N 0.007 122.823 122.820 -0.007 0.000 1.883 526 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 526 A C 2.534 180.129 177.584 0.019 0.000 1.186 526 A CA 2.401 54.435 52.037 -0.004 0.000 0.624 526 A CB -1.133 17.854 19.000 -0.022 0.000 0.822 526 A HN 1.130 nan 8.150 nan 0.000 0.444 527 A N -0.301 122.541 122.820 0.037 0.000 1.883 527 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 527 A C 2.166 179.797 177.584 0.079 0.000 1.186 527 A CA 1.627 53.704 52.037 0.067 0.000 0.624 527 A CB -0.678 18.378 19.000 0.094 0.000 0.822 527 A HN 0.496 nan 8.150 nan 0.000 0.444 528 L N -1.170 120.097 121.223 0.073 0.000 2.131 528 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 528 L C 2.531 179.416 176.870 0.025 0.000 1.092 528 L CA 1.592 56.466 54.840 0.057 0.000 0.759 528 L CB -0.478 41.586 42.059 0.008 0.000 0.903 528 L HN 0.383 nan 8.230 nan 0.000 0.435 529 E N 0.148 120.358 120.200 0.016 0.000 2.106 529 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 529 E C 2.273 178.884 176.600 0.018 0.000 0.984 529 E CA 1.136 57.541 56.400 0.008 0.000 0.806 529 E CB -0.143 29.558 29.700 0.002 0.000 0.750 529 E HN 0.436 nan 8.360 nan 0.000 0.458 530 A N 0.215 123.053 122.820 0.029 0.000 2.125 530 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 530 A C 0.977 178.586 177.584 0.042 0.000 1.156 530 A CA 0.404 52.462 52.037 0.034 0.000 0.671 530 A CB -0.226 18.798 19.000 0.040 0.000 0.794 530 A HN 0.167 nan 8.150 nan 0.000 0.459 531 L N 1.941 123.196 121.223 0.053 0.000 2.462 531 L HA 0.159 4.499 4.340 -0.000 0.000 0.283 531 L C -0.071 176.819 176.870 0.034 0.000 1.166 531 L CA 0.299 55.175 54.840 0.060 0.000 0.964 531 L CB -1.041 41.077 42.059 0.098 0.000 1.294 531 L HN 0.370 nan 8.230 nan 0.000 0.449 532 E N 0.000 120.216 120.200 0.027 0.000 2.725 532 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 532 E CA 0.000 56.410 56.400 0.016 0.000 0.976 532 E CB 0.000 29.707 29.700 0.011 0.000 0.812 532 E HN 0.000 nan 8.360 nan 0.000 0.440