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_B DATA FIRST_RESID 27 DATA SEQUENCE RPNAVVGVRL AALADQVGAA LXXXXXXRAV 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 0.000 176.272 176.300 -0.047 0.000 0.893 27 R CA 0.000 56.057 56.100 -0.072 0.000 0.921 27 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 28 P HA 0.272 nan 4.420 nan 0.000 0.288 28 P C -0.627 176.694 177.300 0.034 0.000 1.267 28 P CA -0.499 62.601 63.100 0.001 0.000 0.815 28 P CB 1.023 32.734 31.700 0.019 0.000 0.989 29 N N 1.303 120.015 118.700 0.019 0.000 2.142 29 N HA -0.071 4.669 4.740 -0.001 0.000 0.186 29 N C 0.696 176.222 175.510 0.027 0.000 1.023 29 N CA 1.107 54.169 53.050 0.020 0.000 0.852 29 N CB -0.381 38.111 38.487 0.009 0.000 0.998 29 N HN 0.556 nan 8.380 nan 0.000 0.424 30 A N 1.136 123.973 122.820 0.028 0.000 2.644 30 A HA 0.462 4.782 4.320 -0.001 0.000 0.343 30 A C -0.432 177.173 177.584 0.036 0.000 1.324 30 A CA -0.572 51.480 52.037 0.026 0.000 0.846 30 A CB 0.460 19.470 19.000 0.017 0.000 1.128 30 A HN 0.009 nan 8.150 nan 0.000 0.484 31 V N 3.746 123.684 119.914 0.040 0.000 2.417 31 V HA 0.687 4.806 4.120 -0.001 0.000 0.291 31 V C -0.020 176.074 176.094 -0.000 0.000 1.024 31 V CA -0.537 61.783 62.300 0.033 0.000 0.861 31 V CB 1.366 33.223 31.823 0.056 0.000 0.985 31 V HN 0.996 nan 8.190 nan 0.000 0.436 32 V N 4.814 124.724 119.914 -0.006 0.000 2.555 32 V HA 0.766 4.886 4.120 -0.001 0.000 0.286 32 V C 1.089 177.159 176.094 -0.041 0.000 1.044 32 V CA 0.399 62.688 62.300 -0.017 0.000 1.026 32 V CB 0.113 31.931 31.823 -0.008 0.000 0.981 32 V HN 1.155 nan 8.190 nan 0.000 0.480 33 G N 3.218 111.992 108.800 -0.044 0.000 2.611 33 G HA2 0.489 4.449 3.960 -0.001 0.000 0.273 33 G HA3 0.489 4.449 3.960 -0.001 0.000 0.273 33 G C -0.505 174.358 174.900 -0.062 0.000 1.305 33 G CA -0.471 44.590 45.100 -0.066 0.000 1.010 33 G HN 1.101 nan 8.290 nan 0.000 0.509 34 V N -0.080 119.791 119.914 -0.071 0.000 2.531 34 V HA 0.676 4.795 4.120 -0.001 0.000 0.301 34 V C 0.812 176.881 176.094 -0.040 0.000 1.034 34 V CA -0.773 61.495 62.300 -0.054 0.000 0.865 34 V CB 0.714 32.496 31.823 -0.068 0.000 0.995 34 V HN 1.197 nan 8.190 nan 0.000 0.424 35 R N 2.477 122.962 120.500 -0.025 0.000 2.619 35 R HA 0.173 4.512 4.340 -0.001 0.000 0.268 35 R C 0.880 177.169 176.300 -0.019 0.000 0.990 35 R CA 0.650 56.739 56.100 -0.018 0.000 1.092 35 R CB -0.403 29.891 30.300 -0.010 0.000 0.935 35 R HN 0.824 nan 8.270 nan 0.000 0.415 36 L N 2.507 123.721 121.223 -0.014 0.000 2.141 36 L HA 0.055 4.395 4.340 -0.001 0.000 0.209 36 L C 2.817 179.684 176.870 -0.006 0.000 1.094 36 L CA 2.522 57.355 54.840 -0.012 0.000 0.763 36 L CB -0.810 41.246 42.059 -0.006 0.000 0.908 36 L HN 0.908 nan 8.230 nan 0.000 0.437 37 A N -0.120 122.698 122.820 -0.003 0.000 1.884 37 A HA -0.271 4.048 4.320 -0.001 0.000 0.219 37 A C 2.484 180.069 177.584 0.001 0.000 1.197 37 A CA 2.419 54.456 52.037 0.001 0.000 0.637 37 A CB -1.357 17.644 19.000 0.002 0.000 0.827 37 A HN 0.570 nan 8.150 nan 0.000 0.450 38 A N -1.214 121.604 122.820 -0.003 0.000 1.933 38 A HA -0.008 4.311 4.320 -0.001 0.000 0.218 38 A C 2.038 179.620 177.584 -0.004 0.000 1.175 38 A CA 1.773 53.809 52.037 -0.002 0.000 0.628 38 A CB -0.498 18.501 19.000 -0.003 0.000 0.814 38 A HN 0.410 nan 8.150 nan 0.000 0.444 39 L N -0.498 120.717 121.223 -0.013 0.000 2.056 39 L HA -0.089 4.251 4.340 -0.001 0.000 0.207 39 L C 2.975 179.838 176.870 -0.012 0.000 1.078 39 L CA 1.790 56.618 54.840 -0.021 0.000 0.749 39 L CB -1.404 40.634 42.059 -0.035 0.000 0.901 39 L HN 0.413 nan 8.230 nan 0.000 0.433 40 A N -0.316 122.503 122.820 -0.002 0.000 1.851 40 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 40 A C 2.001 179.597 177.584 0.020 0.000 1.195 40 A CA 2.083 54.127 52.037 0.012 0.000 0.622 40 A CB -0.962 18.047 19.000 0.016 0.000 0.831 40 A HN 0.421 nan 8.150 nan 0.000 0.444 41 D N -0.927 119.483 120.400 0.016 0.000 2.221 41 D HA -0.180 4.460 4.640 -0.001 0.000 0.204 41 D C 2.018 178.331 176.300 0.022 0.000 0.982 41 D CA 1.471 55.483 54.000 0.020 0.000 0.857 41 D CB -0.226 40.583 40.800 0.015 0.000 0.934 41 D HN 0.751 nan 8.370 nan 0.000 0.475 42 Q N 0.363 120.171 119.800 0.014 0.000 1.969 42 Q HA -0.104 4.236 4.340 -0.001 0.000 0.198 42 Q C 1.974 177.983 176.000 0.014 0.000 0.978 42 Q CA 1.080 56.891 55.803 0.013 0.000 0.830 42 Q CB -0.153 28.589 28.738 0.007 0.000 0.896 42 Q HN 0.113 nan 8.270 nan 0.000 0.431 43 V N 0.693 120.604 119.914 -0.006 0.000 2.720 43 V HA -0.100 4.019 4.120 -0.001 0.000 0.256 43 V C 1.244 177.394 176.094 0.094 0.000 1.082 43 V CA 1.360 63.641 62.300 -0.031 0.000 1.101 43 V CB -0.856 30.887 31.823 -0.133 0.000 0.693 43 V HN 0.780 nan 8.190 nan 0.000 0.479 44 G N 0.287 109.139 108.800 0.088 0.000 2.314 44 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.292 44 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.292 44 G C 0.152 175.148 174.900 0.159 0.000 1.059 44 G CA 0.324 45.488 45.100 0.107 0.000 0.982 44 G HN 1.020 nan 8.290 nan 0.000 0.505 45 A N -0.630 122.284 122.820 0.157 0.000 2.272 45 A HA 0.999 5.318 4.320 -0.001 0.000 0.275 45 A C 0.824 178.453 177.584 0.075 0.000 1.096 45 A CA 0.722 52.854 52.037 0.158 0.000 0.822 45 A CB 1.024 20.101 19.000 0.129 0.000 1.088 45 A HN 2.164 nan 8.150 nan 0.000 0.495 46 A N -0.382 122.471 122.820 0.055 0.000 2.309 46 A HA 0.776 5.095 4.320 -0.001 0.000 0.317 46 A C -0.338 177.263 177.584 0.028 0.000 1.134 46 A CA -0.590 51.466 52.037 0.031 0.000 0.866 46 A CB 0.520 19.530 19.000 0.018 0.000 1.329 46 A HN 0.770 nan 8.150 nan 0.000 0.477 55 A N -0.565 122.258 122.820 0.006 0.000 3.021 55 A HA -0.138 4.181 4.320 -0.001 0.000 0.257 55 A C 1.666 179.252 177.584 0.004 0.000 1.277 55 A CA 2.500 54.540 52.037 0.004 0.000 1.012 55 A CB -2.641 16.362 19.000 0.004 0.000 1.147 55 A HN 2.120 nan 8.150 nan 0.000 0.861 56 V N -4.580 115.337 119.914 0.004 0.000 3.604 56 V HA 0.284 4.403 4.120 -0.001 0.000 0.277 56 V C 1.618 177.714 176.094 0.004 0.000 1.399 56 V CA 1.874 64.176 62.300 0.004 0.000 1.034 56 V CB 0.056 31.882 31.823 0.005 0.000 0.824 56 V HN 0.821 nan 8.190 nan 0.000 0.439 57 T N 1.098 115.655 114.554 0.005 0.000 2.857 57 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 57 T C 1.971 176.672 174.700 0.002 0.000 1.048 57 T CA 2.481 64.583 62.100 0.004 0.000 1.139 57 T CB -0.324 68.548 68.868 0.007 0.000 0.874 57 T HN 0.892 nan 8.240 nan 0.000 0.455 58 E N 1.168 121.369 120.200 0.002 0.000 2.393 58 E HA -0.165 4.184 4.350 -0.001 0.000 0.201 58 E C 1.605 178.205 176.600 -0.001 0.000 1.025 58 E CA 1.749 58.149 56.400 0.001 0.000 0.856 58 E CB -0.625 29.076 29.700 0.002 0.000 0.771 58 E HN 0.737 nan 8.360 nan 0.000 0.526 59 D N -0.909 119.491 120.400 -0.000 0.000 2.490 59 D HA 0.069 4.708 4.640 -0.001 0.000 0.244 59 D C 0.671 176.969 176.300 -0.003 0.000 0.979 59 D CA 0.011 54.010 54.000 -0.001 0.000 0.924 59 D CB -0.119 40.681 40.800 0.000 0.000 1.075 59 D HN 0.312 nan 8.370 nan 0.000 0.488 60 R N 1.217 121.716 120.500 -0.002 0.000 2.623 60 R HA 0.307 4.646 4.340 -0.001 0.000 0.271 60 R C -0.137 176.156 176.300 -0.010 0.000 1.043 60 R CA 0.455 56.553 56.100 -0.004 0.000 1.083 60 R CB 0.038 30.337 30.300 -0.001 0.000 0.974 60 R HN -0.033 nan 8.270 nan 0.000 0.436 61 T N 2.003 116.549 114.554 -0.014 0.000 2.794 61 T HA 0.260 4.609 4.350 -0.001 0.000 0.280 61 T C -0.016 174.666 174.700 -0.030 0.000 0.987 61 T CA -0.647 61.439 62.100 -0.023 0.000 0.993 61 T CB 1.706 70.561 68.868 -0.022 0.000 0.939 61 T HN 0.200 nan 8.240 nan 0.000 0.449 62 V N 4.159 124.045 119.914 -0.046 0.000 2.383 62 V HA 0.315 4.434 4.120 -0.001 0.000 0.275 62 V C 1.241 177.273 176.094 -0.103 0.000 1.036 62 V CA -0.472 61.789 62.300 -0.064 0.000 0.889 62 V CB 1.042 32.823 31.823 -0.069 0.000 0.985 62 V HN 1.152 nan 8.190 nan 0.000 0.459 63 T N 0.330 114.825 114.554 -0.098 0.000 3.129 63 T HA 0.536 4.886 4.350 -0.001 0.000 0.267 63 T C 0.494 175.086 174.700 -0.181 0.000 1.018 63 T CA 0.232 62.254 62.100 -0.130 0.000 0.903 63 T CB 0.434 69.267 68.868 -0.059 0.000 1.067 63 T HN 0.952 nan 8.240 nan 0.000 0.549 64 G N 0.100 108.788 108.800 -0.186 0.000 2.601 64 G HA2 0.546 4.505 3.960 -0.001 0.000 0.291 64 G HA3 0.546 4.505 3.960 -0.001 0.000 0.291 64 G C -2.173 172.690 174.900 -0.062 0.000 1.456 64 G CA -0.642 44.391 45.100 -0.112 0.000 0.804 64 G HN 0.271 nan 8.290 nan 0.000 0.499 65 V N 0.109 120.069 119.914 0.078 0.000 2.711 65 V HA 0.797 4.917 4.120 -0.001 0.000 0.304 65 V C -0.316 175.874 176.094 0.161 0.000 1.097 65 V CA -0.394 61.964 62.300 0.097 0.000 0.906 65 V CB 1.716 33.577 31.823 0.062 0.000 1.015 65 V HN 1.175 nan 8.190 nan 0.000 0.427 66 T N 4.136 118.789 114.554 0.164 0.000 2.900 66 T HA 0.565 4.914 4.350 -0.001 0.000 0.303 66 T C 0.039 174.876 174.700 0.229 0.000 1.142 66 T CA -0.462 61.743 62.100 0.176 0.000 1.007 66 T CB 1.838 70.805 68.868 0.165 0.000 1.156 66 T HN 0.820 nan 8.240 nan 0.000 0.490 67 L N 0.555 121.882 121.223 0.173 0.000 2.857 67 L HA 0.709 5.049 4.340 -0.001 0.000 0.249 67 L C 0.475 177.509 176.870 0.273 0.000 1.172 67 L CA -0.730 54.194 54.840 0.140 0.000 0.980 67 L CB -0.411 41.665 42.059 0.027 0.000 1.299 67 L HN 0.566 nan 8.230 nan 0.000 0.535 68 R N 0.433 121.107 120.500 0.291 0.000 2.358 68 R HA 0.743 5.083 4.340 -0.001 0.000 0.309 68 R C 0.966 177.317 176.300 0.085 0.000 1.026 68 R CA 0.280 56.498 56.100 0.196 0.000 0.909 68 R CB 0.529 30.866 30.300 0.063 0.000 1.153 68 R HN 0.369 nan 8.270 nan 0.000 0.515 69 A N 1.160 123.946 122.820 -0.056 0.000 1.929 69 A HA -0.343 3.976 4.320 -0.001 0.000 0.221 69 A C 1.945 179.370 177.584 -0.266 0.000 1.211 69 A CA 2.329 54.038 52.037 -0.546 0.000 0.657 69 A CB -0.242 18.446 19.000 -0.520 0.000 0.827 69 A HN 0.830 nan 8.150 nan 0.000 0.462 70 Q N -0.494 119.215 119.800 -0.152 0.000 2.291 70 Q HA -0.109 4.230 4.340 -0.001 0.000 0.206 70 Q C 0.732 176.691 176.000 -0.068 0.000 0.976 70 Q CA 1.473 57.217 55.803 -0.099 0.000 0.875 70 Q CB -0.131 28.563 28.738 -0.074 0.000 0.927 70 Q HN 0.673 nan 8.270 nan 0.000 0.450 71 D N -0.860 119.511 120.400 -0.049 0.000 2.328 71 D HA 0.005 4.645 4.640 -0.001 0.000 0.221 71 D C -0.185 176.113 176.300 -0.003 0.000 1.072 71 D CA 0.038 54.030 54.000 -0.012 0.000 0.850 71 D CB 0.254 41.064 40.800 0.016 0.000 0.922 71 D HN 0.126 nan 8.370 nan 0.000 0.516 72 V N -0.052 119.840 119.914 -0.037 0.000 2.555 72 V HA 0.299 4.418 4.120 -0.001 0.000 0.286 72 V C 0.316 176.404 176.094 -0.010 0.000 1.044 72 V CA -0.277 62.014 62.300 -0.016 0.000 1.026 72 V CB 1.243 33.032 31.823 -0.057 0.000 0.981 72 V HN -0.114 nan 8.190 nan 0.000 0.480 73 S N 6.644 122.352 115.700 0.015 0.000 2.672 73 S HA 0.564 5.034 4.470 -0.001 0.000 0.276 73 S C -2.474 172.132 174.600 0.008 0.000 1.207 73 S CA -0.891 57.316 58.200 0.012 0.000 1.002 73 S CB 1.345 64.561 63.200 0.026 0.000 0.998 73 S HN 0.840 nan 8.310 nan 0.000 0.542 74 P HA 0.158 nan 4.420 nan 0.000 0.266 74 P C 0.859 178.163 177.300 0.006 0.000 1.193 74 P CA 1.017 64.118 63.100 0.002 0.000 0.770 74 P CB 0.189 31.889 31.700 0.000 0.000 0.836 75 G N 1.166 109.968 108.800 0.004 0.000 2.234 75 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.260 75 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.260 75 G C 0.021 174.919 174.900 -0.003 0.000 0.987 75 G CA 0.007 45.106 45.100 -0.002 0.000 0.625 75 G HN 0.516 nan 8.290 nan 0.000 0.532 76 D N 0.180 120.589 120.400 0.015 0.000 2.339 76 D HA 0.468 5.107 4.640 -0.001 0.000 0.245 76 D C 0.635 176.964 176.300 0.049 0.000 1.115 76 D CA -0.377 53.640 54.000 0.028 0.000 0.917 76 D CB 0.964 41.799 40.800 0.060 0.000 1.192 76 D HN 0.202 nan 8.370 nan 0.000 0.428 77 L N 2.959 124.211 121.223 0.049 0.000 2.265 77 L HA 0.323 4.663 4.340 -0.001 0.000 0.288 77 L C -0.790 176.176 176.870 0.159 0.000 1.058 77 L CA -0.638 54.246 54.840 0.075 0.000 0.809 77 L CB 0.294 42.365 42.059 0.019 0.000 1.179 77 L HN 0.377 nan 8.230 nan 0.000 0.429 78 F N 5.227 125.187 119.950 0.017 0.000 2.413 78 F HA 0.416 4.942 4.527 -0.001 0.000 0.359 78 F C 0.493 176.316 175.800 0.039 0.000 1.122 78 F CA -0.891 57.127 58.000 0.031 0.000 1.160 78 F CB 0.975 39.998 39.000 0.039 0.000 1.146 78 F HN 0.635 nan 8.300 nan 0.000 0.514 79 A N 6.028 128.694 122.820 -0.256 0.000 2.376 79 A HA 0.570 4.889 4.320 -0.001 0.000 0.298 79 A C -0.004 177.032 177.584 -0.912 0.000 1.271 79 A CA -0.230 51.557 52.037 -0.416 0.000 0.926 79 A CB -0.275 18.623 19.000 -0.169 0.000 1.141 79 A HN 0.968 nan 8.150 nan 0.000 0.539 80 A N 4.524 126.811 122.820 -0.888 0.000 2.527 80 A HA 0.572 4.892 4.320 -0.001 0.000 0.313 80 A C 0.046 177.562 177.584 -0.113 0.000 1.410 80 A CA -0.246 51.423 52.037 -0.612 0.000 1.060 80 A CB -0.392 18.404 19.000 -0.340 0.000 1.137 80 A HN 0.805 nan 8.150 nan 0.000 0.542 81 L N 1.675 122.828 121.223 -0.116 0.000 2.352 81 L HA 0.589 4.928 4.340 -0.001 0.000 0.269 81 L C 1.055 177.672 176.870 -0.421 0.000 1.034 81 L CA -0.828 53.917 54.840 -0.158 0.000 0.806 81 L CB 1.786 43.777 42.059 -0.114 0.000 1.244 81 L HN 0.685 nan 8.230 nan 0.000 0.447 82 T N -1.142 113.024 114.554 -0.647 0.000 2.909 82 T HA 0.682 5.032 4.350 -0.001 0.000 0.289 82 T C -0.023 174.535 174.700 -0.237 0.000 1.005 82 T CA -0.246 61.436 62.100 -0.696 0.000 1.084 82 T CB 1.602 70.133 68.868 -0.562 0.000 0.975 82 T HN 0.798 nan 8.240 nan 0.000 0.509 83 G N 0.471 109.197 108.800 -0.123 0.000 2.766 83 G HA2 0.487 4.447 3.960 -0.001 0.000 0.288 83 G HA3 0.487 4.447 3.960 -0.001 0.000 0.288 83 G C 0.450 175.352 174.900 0.003 0.000 1.408 83 G CA -0.588 44.493 45.100 -0.032 0.000 0.852 83 G HN 0.621 nan 8.290 nan 0.000 0.487 84 S N -0.990 114.728 115.700 0.029 0.000 2.481 84 S HA -0.020 4.450 4.470 -0.001 0.000 0.231 84 S C 2.070 176.693 174.600 0.039 0.000 0.996 84 S CA 1.736 59.959 58.200 0.039 0.000 0.942 84 S CB 0.011 63.245 63.200 0.058 0.000 0.768 84 S HN 0.625 nan 8.310 nan 0.000 0.520 85 T N -0.717 113.863 114.554 0.043 0.000 3.038 85 T HA 0.190 4.539 4.350 -0.001 0.000 0.244 85 T C 0.868 175.609 174.700 0.069 0.000 1.016 85 T CA 0.404 62.534 62.100 0.051 0.000 1.098 85 T CB 0.426 69.323 68.868 0.048 0.000 0.954 85 T HN 0.349 nan 8.240 nan 0.000 0.469 86 T N -0.118 114.486 114.554 0.083 0.000 2.618 86 T HA 0.396 4.745 4.350 -0.001 0.000 0.293 86 T C -2.227 172.559 174.700 0.144 0.000 1.093 86 T CA -0.609 61.568 62.100 0.127 0.000 1.061 86 T CB 1.447 70.425 68.868 0.184 0.000 1.498 86 T HN 0.114 nan 8.240 nan 0.000 0.494 87 H N -0.504 118.624 119.070 0.097 0.000 2.609 87 H HA 0.487 5.042 4.556 -0.001 0.000 0.344 87 H C 1.094 176.521 175.328 0.165 0.000 1.040 87 H CA 0.199 56.301 56.048 0.091 0.000 1.216 87 H CB 1.613 31.405 29.762 0.049 0.000 1.529 87 H HN 0.817 nan 8.280 nan 0.000 0.519 88 G N 2.621 111.719 108.800 0.497 0.000 2.559 88 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 88 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 88 G C 1.455 176.640 174.900 0.476 0.000 1.126 88 G CA 0.562 45.980 45.100 0.530 0.000 0.778 88 G HN 0.663 nan 8.290 nan 0.000 0.543 89 A N 0.920 123.932 122.820 0.321 0.000 2.076 89 A HA -0.041 4.278 4.320 -0.001 0.000 0.220 89 A C 2.232 179.828 177.584 0.019 0.000 1.160 89 A CA 1.016 53.055 52.037 0.004 0.000 0.653 89 A CB -0.230 18.458 19.000 -0.520 0.000 0.801 89 A HN 0.390 nan 8.150 nan 0.000 0.455 90 R N -0.861 119.631 120.500 -0.014 0.000 2.363 90 R HA 0.139 4.479 4.340 -0.001 0.000 0.236 90 R C 0.100 176.142 176.300 -0.431 0.000 0.966 90 R CA 0.237 56.212 56.100 -0.209 0.000 1.100 90 R CB 0.004 30.143 30.300 -0.268 0.000 1.125 90 R HN 0.602 nan 8.270 nan 0.000 0.514 91 H N -1.582 117.581 119.070 0.156 0.000 3.367 91 H HA 0.119 4.674 4.556 -0.001 0.000 0.257 91 H C 1.526 176.872 175.328 0.030 0.000 1.201 91 H CA -0.105 55.997 56.048 0.090 0.000 1.102 91 H CB 0.734 30.563 29.762 0.110 0.000 1.656 91 H HN -0.076 nan 8.280 nan 0.000 0.662 92 V N 0.854 120.903 119.914 0.225 0.000 2.252 92 V HA -0.263 3.857 4.120 -0.001 0.000 0.249 92 V C 2.727 178.839 176.094 0.031 0.000 1.056 92 V CA 2.408 64.816 62.300 0.180 0.000 1.022 92 V CB -0.850 31.084 31.823 0.185 0.000 0.641 92 V HN 0.560 nan 8.190 nan 0.000 0.445 93 G N -0.318 108.492 108.800 0.017 0.000 2.599 93 G HA2 -0.441 3.519 3.960 -0.001 0.000 0.219 93 G HA3 -0.441 3.519 3.960 -0.001 0.000 0.219 93 G C 1.313 176.195 174.900 -0.030 0.000 1.193 93 G CA 1.522 46.619 45.100 -0.006 0.000 0.778 93 G HN 0.594 nan 8.290 nan 0.000 0.589 94 D N 0.619 120.998 120.400 -0.035 0.000 2.123 94 D HA 0.006 4.645 4.640 -0.001 0.000 0.196 94 D C 2.695 178.908 176.300 -0.145 0.000 0.992 94 D CA 1.735 55.697 54.000 -0.064 0.000 0.833 94 D CB -0.445 40.339 40.800 -0.026 0.000 0.954 94 D HN 0.286 nan 8.370 nan 0.000 0.455 95 A N 0.163 122.820 122.820 -0.271 0.000 1.858 95 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 95 A C 2.483 179.969 177.584 -0.164 0.000 1.190 95 A CA 1.435 53.242 52.037 -0.384 0.000 0.617 95 A CB -0.914 17.606 19.000 -0.799 0.000 0.827 95 A HN 0.375 nan 8.150 nan 0.000 0.443 96 I N -0.080 120.437 120.570 -0.087 0.000 2.163 96 I HA -0.323 3.846 4.170 -0.001 0.000 0.243 96 I C 2.889 178.987 176.117 -0.032 0.000 1.085 96 I CA 1.248 62.531 61.300 -0.028 0.000 1.347 96 I CB -0.287 37.712 38.000 -0.000 0.000 1.044 96 I HN 0.360 nan 8.210 nan 0.000 0.408 97 A N 0.348 123.144 122.820 -0.041 0.000 2.067 97 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 97 A C 2.215 179.778 177.584 -0.035 0.000 1.158 97 A CA 1.162 53.180 52.037 -0.032 0.000 0.661 97 A CB -0.473 18.510 19.000 -0.029 0.000 0.801 97 A HN 0.361 nan 8.150 nan 0.000 0.452 98 R N -1.412 119.056 120.500 -0.053 0.000 2.320 98 R HA 0.219 4.558 4.340 -0.001 0.000 0.211 98 R C 1.050 177.329 176.300 -0.035 0.000 0.931 98 R CA 0.521 56.591 56.100 -0.049 0.000 1.071 98 R CB 0.019 30.276 30.300 -0.072 0.000 1.025 98 R HN 0.644 nan 8.270 nan 0.000 0.495 99 G N 0.335 109.119 108.800 -0.027 0.000 2.144 99 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 99 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 99 G C 0.218 175.116 174.900 -0.004 0.000 0.988 99 G CA -0.149 44.943 45.100 -0.013 0.000 0.659 99 G HN 0.465 nan 8.290 nan 0.000 0.522 100 A N -0.027 122.789 122.820 -0.006 0.000 2.561 100 A HA 0.547 4.866 4.320 -0.001 0.000 0.234 100 A C 1.665 179.268 177.584 0.031 0.000 1.055 100 A CA 1.014 53.065 52.037 0.024 0.000 0.756 100 A CB 0.542 19.564 19.000 0.036 0.000 0.986 100 A HN 1.680 nan 8.150 nan 0.000 0.505 101 V N -0.862 119.074 119.914 0.036 0.000 3.578 101 V HA 0.638 4.757 4.120 -0.001 0.000 0.290 101 V C 0.487 176.602 176.094 0.035 0.000 1.376 101 V CA 0.631 62.947 62.300 0.026 0.000 1.083 101 V CB -1.408 30.422 31.823 0.013 0.000 0.911 101 V HN 2.048 nan 8.190 nan 0.000 0.433 102 A N -0.718 122.137 122.820 0.058 0.000 2.581 102 A HA 0.699 5.018 4.320 -0.001 0.000 0.294 102 A C -1.330 176.316 177.584 0.102 0.000 1.035 102 A CA -0.261 51.813 52.037 0.061 0.000 0.684 102 A CB 1.291 20.312 19.000 0.037 0.000 1.282 102 A HN 0.501 nan 8.150 nan 0.000 0.417 103 V N 2.066 122.034 119.914 0.090 0.000 2.495 103 V HA 0.569 4.688 4.120 -0.001 0.000 0.298 103 V C -0.346 175.763 176.094 0.025 0.000 1.031 103 V CA -0.623 61.733 62.300 0.093 0.000 0.871 103 V CB 1.721 33.612 31.823 0.113 0.000 0.988 103 V HN 0.801 nan 8.190 nan 0.000 0.432 104 L N 4.585 125.791 121.223 -0.028 0.000 2.276 104 L HA 0.655 4.994 4.340 -0.001 0.000 0.286 104 L C -0.277 176.561 176.870 -0.052 0.000 1.024 104 L CA 0.474 55.295 54.840 -0.031 0.000 0.826 104 L CB 1.340 43.372 42.059 -0.044 0.000 1.211 104 L HN 0.855 nan 8.230 nan 0.000 0.422 105 T N 1.963 116.517 114.554 0.000 0.000 2.864 105 T HA 0.451 4.800 4.350 -0.001 0.000 0.289 105 T C -0.803 173.942 174.700 0.074 0.000 1.082 105 T CA -0.554 61.566 62.100 0.033 0.000 1.009 105 T CB 1.600 70.488 68.868 0.034 0.000 1.234 105 T HN 0.726 nan 8.240 nan 0.000 0.526 106 D N 1.259 121.726 120.400 0.111 0.000 2.433 106 D HA 0.340 4.980 4.640 -0.001 0.000 0.255 106 D C -1.885 174.461 176.300 0.077 0.000 1.226 106 D CA -1.446 52.613 54.000 0.098 0.000 1.015 106 D CB -0.215 40.647 40.800 0.104 0.000 1.091 106 D HN 0.178 nan 8.370 nan 0.000 0.527 107 P HA -0.010 nan 4.420 nan 0.000 0.219 107 P C 1.147 178.470 177.300 0.038 0.000 1.150 107 P CA 1.605 64.724 63.100 0.032 0.000 0.814 107 P CB -0.115 31.595 31.700 0.017 0.000 0.787 108 A N 0.024 122.892 122.820 0.080 0.000 2.019 108 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 108 A C 2.401 179.990 177.584 0.008 0.000 1.164 108 A CA 1.993 54.085 52.037 0.092 0.000 0.644 108 A CB -1.796 17.308 19.000 0.174 0.000 0.805 108 A HN 0.289 nan 8.150 nan 0.000 0.449 109 G N -0.136 108.669 108.800 0.009 0.000 2.394 109 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.214 109 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.214 109 G C 1.621 176.428 174.900 -0.155 0.000 1.176 109 G CA 1.625 46.560 45.100 -0.276 0.000 0.786 109 G HN 0.943 nan 8.290 nan 0.000 0.533 110 V N -0.415 119.466 119.914 -0.055 0.000 2.469 110 V HA -0.009 4.110 4.120 -0.001 0.000 0.251 110 V C 2.933 179.002 176.094 -0.043 0.000 1.064 110 V CA 1.913 64.191 62.300 -0.036 0.000 1.066 110 V CB -1.189 30.628 31.823 -0.010 0.000 0.667 110 V HN 0.409 nan 8.190 nan 0.000 0.461 111 A N 0.372 123.165 122.820 -0.045 0.000 1.865 111 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 111 A C 2.209 179.757 177.584 -0.060 0.000 1.191 111 A CA 2.057 54.070 52.037 -0.040 0.000 0.623 111 A CB -0.681 18.303 19.000 -0.028 0.000 0.826 111 A HN 0.613 nan 8.150 nan 0.000 0.444 112 E N -0.521 119.616 120.200 -0.106 0.000 2.021 112 E HA -0.259 4.091 4.350 -0.001 0.000 0.200 112 E C 2.387 178.939 176.600 -0.081 0.000 1.015 112 E CA 1.797 58.127 56.400 -0.118 0.000 0.824 112 E CB -1.205 28.365 29.700 -0.216 0.000 0.762 112 E HN 0.659 nan 8.360 nan 0.000 0.454 113 I N 1.192 121.715 120.570 -0.078 0.000 2.236 113 I HA -0.210 3.959 4.170 -0.001 0.000 0.249 113 I C 1.876 177.976 176.117 -0.028 0.000 1.102 113 I CA 2.131 63.407 61.300 -0.039 0.000 1.365 113 I CB -1.693 36.295 38.000 -0.021 0.000 1.051 113 I HN 0.328 nan 8.210 nan 0.000 0.420 114 A N -1.105 121.698 122.820 -0.029 0.000 5.483 114 A HA -0.003 4.316 4.320 -0.001 0.000 0.309 114 A C 1.803 179.380 177.584 -0.012 0.000 1.898 114 A CA 1.946 53.971 52.037 -0.019 0.000 0.716 114 A CB -2.072 16.917 19.000 -0.018 0.000 1.309 114 A HN 2.496 nan 8.150 nan 0.000 0.380 115 G N -1.250 107.545 108.800 -0.008 0.000 2.583 115 G HA2 0.507 4.466 3.960 -0.001 0.000 0.275 115 G HA3 0.507 4.466 3.960 -0.001 0.000 0.275 115 G C 0.735 175.633 174.900 -0.002 0.000 1.342 115 G CA 1.580 46.677 45.100 -0.004 0.000 1.030 115 G HN 2.493 nan 8.290 nan 0.000 0.520 116 R N -2.752 117.749 120.500 0.001 0.000 3.364 116 R HA 0.036 4.375 4.340 -0.001 0.000 0.283 116 R C -0.487 175.818 176.300 0.008 0.000 1.128 116 R CA 0.668 56.770 56.100 0.003 0.000 0.762 116 R CB -2.394 27.906 30.300 -0.001 0.000 1.336 116 R HN 1.666 nan 8.270 nan 0.000 0.429 117 A N 0.054 122.882 122.820 0.013 0.000 2.342 117 A HA 0.852 5.171 4.320 -0.001 0.000 0.323 117 A C 1.245 178.840 177.584 0.018 0.000 1.125 117 A CA -0.066 51.983 52.037 0.020 0.000 0.785 117 A CB 1.676 20.696 19.000 0.033 0.000 1.221 117 A HN 0.704 nan 8.150 nan 0.000 0.463 118 A N 1.910 124.740 122.820 0.016 0.000 1.933 118 A HA 0.216 4.536 4.320 -0.001 0.000 0.218 118 A C 1.223 178.817 177.584 0.017 0.000 1.175 118 A CA 1.886 53.930 52.037 0.013 0.000 0.628 118 A CB -1.152 17.854 19.000 0.010 0.000 0.814 118 A HN 1.861 nan 8.150 nan 0.000 0.444 119 V N -4.016 115.912 119.914 0.024 0.000 3.036 119 V HA 0.516 4.635 4.120 -0.001 0.000 0.308 119 V C -2.808 173.303 176.094 0.030 0.000 1.070 119 V CA -2.794 59.523 62.300 0.028 0.000 1.056 119 V CB 0.280 32.125 31.823 0.038 0.000 1.084 119 V HN 0.095 nan 8.190 nan 0.000 0.471 120 P HA 0.217 nan 4.420 nan 0.000 0.266 120 P C -0.760 176.559 177.300 0.033 0.000 1.195 120 P CA 0.114 63.229 63.100 0.025 0.000 0.768 120 P CB 0.582 32.295 31.700 0.021 0.000 0.838 121 V N 5.143 125.074 119.914 0.028 0.000 2.284 121 V HA 0.153 4.272 4.120 -0.001 0.000 0.274 121 V C 0.103 176.214 176.094 0.027 0.000 1.023 121 V CA -0.586 61.732 62.300 0.030 0.000 0.808 121 V CB 0.643 32.481 31.823 0.026 0.000 1.035 121 V HN 0.375 nan 8.190 nan 0.000 0.445 122 L N 5.471 126.711 121.223 0.028 0.000 2.410 122 L HA 0.325 4.664 4.340 -0.001 0.000 0.273 122 L C 0.070 176.967 176.870 0.045 0.000 1.152 122 L CA 0.680 55.540 54.840 0.034 0.000 0.855 122 L CB 1.250 43.327 42.059 0.029 0.000 1.129 122 L HN 0.398 nan 8.230 nan 0.000 0.463 123 V N 3.201 123.149 119.914 0.056 0.000 2.448 123 V HA 0.436 4.555 4.120 -0.001 0.000 0.295 123 V C -0.274 175.887 176.094 0.111 0.000 1.025 123 V CA -0.739 61.600 62.300 0.064 0.000 0.859 123 V CB 1.309 33.152 31.823 0.033 0.000 0.988 123 V HN 0.660 nan 8.190 nan 0.000 0.431 124 H N 5.221 124.295 119.070 0.006 0.000 2.690 124 H HA 0.521 5.076 4.556 -0.001 0.000 0.368 124 H C -2.691 172.643 175.328 0.010 0.000 1.150 124 H CA -2.019 54.033 56.048 0.007 0.000 1.174 124 H CB 3.367 33.131 29.762 0.003 0.000 1.684 124 H HN 0.429 nan 8.280 nan 0.000 0.538 125 P HA 0.095 nan 4.420 nan 0.000 0.274 125 P C -0.589 176.740 177.300 0.049 0.000 1.246 125 P CA 0.109 63.139 63.100 -0.118 0.000 0.795 125 P CB 0.291 31.889 31.700 -0.170 0.000 1.006 126 A N 1.103 123.974 122.820 0.086 0.000 2.415 126 A HA -0.155 4.164 4.320 -0.001 0.000 0.292 126 A C -1.392 176.330 177.584 0.230 0.000 1.452 126 A CA 0.437 52.558 52.037 0.140 0.000 0.750 126 A CB -2.495 16.576 19.000 0.118 0.000 1.099 126 A HN 0.429 nan 8.150 nan 0.000 0.391 127 P HA -0.145 nan 4.420 nan 0.000 0.215 127 P C 1.617 178.919 177.300 0.003 0.000 1.157 127 P CA 1.232 64.375 63.100 0.071 0.000 0.859 127 P CB -0.036 31.686 31.700 0.037 0.000 0.786 128 R N 0.375 120.882 120.500 0.012 0.000 2.154 128 R HA -0.123 4.216 4.340 -0.001 0.000 0.248 128 R C 1.793 178.103 176.300 0.017 0.000 1.155 128 R CA 2.014 58.118 56.100 0.008 0.000 0.979 128 R CB -1.303 29.006 30.300 0.015 0.000 0.869 128 R HN 0.157 nan 8.270 nan 0.000 0.452 129 G N -0.660 108.160 108.800 0.033 0.000 3.262 129 G HA2 0.150 4.110 3.960 -0.001 0.000 0.228 129 G HA3 0.150 4.110 3.960 -0.001 0.000 0.228 129 G C 0.564 175.468 174.900 0.006 0.000 1.197 129 G CA 0.077 45.199 45.100 0.036 0.000 0.819 129 G HN 0.266 nan 8.290 nan 0.000 0.531 130 V N -0.685 119.201 119.914 -0.047 0.000 3.443 130 V HA 0.168 4.287 4.120 -0.001 0.000 0.277 130 V C 1.808 177.846 176.094 -0.094 0.000 1.648 130 V CA -0.017 62.216 62.300 -0.111 0.000 1.058 130 V CB 0.358 31.993 31.823 -0.313 0.000 0.877 130 V HN 0.228 nan 8.190 nan 0.000 0.417 131 L N 1.622 122.808 121.223 -0.061 0.000 2.046 131 L HA 0.097 4.436 4.340 -0.001 0.000 0.208 131 L C 2.262 179.124 176.870 -0.013 0.000 1.077 131 L CA 2.899 57.715 54.840 -0.039 0.000 0.747 131 L CB -1.185 40.861 42.059 -0.022 0.000 0.896 131 L HN 0.329 nan 8.230 nan 0.000 0.432 132 G N -1.103 107.698 108.800 0.002 0.000 2.459 132 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 132 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 132 G C 1.538 176.446 174.900 0.013 0.000 1.183 132 G CA 0.655 45.766 45.100 0.018 0.000 0.776 132 G HN 0.571 nan 8.290 nan 0.000 0.552 133 G N 0.346 109.152 108.800 0.010 0.000 2.448 133 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.219 133 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.219 133 G C 1.781 176.674 174.900 -0.012 0.000 1.127 133 G CA 0.608 45.720 45.100 0.020 0.000 0.766 133 G HN 0.414 nan 8.290 nan 0.000 0.552 134 L N 0.370 121.573 121.223 -0.034 0.000 1.988 134 L HA -0.024 4.315 4.340 -0.001 0.000 0.207 134 L C 3.426 180.256 176.870 -0.068 0.000 1.071 134 L CA 1.109 55.915 54.840 -0.056 0.000 0.744 134 L CB -0.475 41.546 42.059 -0.064 0.000 0.893 134 L HN 0.313 nan 8.230 nan 0.000 0.433 135 A N -0.061 122.747 122.820 -0.020 0.000 1.948 135 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 135 A C 2.441 180.059 177.584 0.057 0.000 1.177 135 A CA 1.894 53.964 52.037 0.054 0.000 0.636 135 A CB -0.730 18.355 19.000 0.142 0.000 0.815 135 A HN 0.476 nan 8.150 nan 0.000 0.449 136 A N -1.509 121.291 122.820 -0.033 0.000 1.972 136 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 136 A C 2.296 179.590 177.584 -0.483 0.000 1.169 136 A CA 2.260 54.209 52.037 -0.147 0.000 0.635 136 A CB -0.980 17.973 19.000 -0.079 0.000 0.810 136 A HN 0.430 nan 8.150 nan 0.000 0.446 137 T N -0.877 113.432 114.554 -0.409 0.000 2.809 137 T HA -0.077 4.272 4.350 -0.001 0.000 0.260 137 T C 1.990 176.511 174.700 -0.298 0.000 1.039 137 T CA 1.525 63.361 62.100 -0.441 0.000 1.141 137 T CB -0.440 68.349 68.868 -0.133 0.000 0.869 137 T HN 0.482 nan 8.240 nan 0.000 0.437 138 V N 0.188 119.936 119.914 -0.278 0.000 2.594 138 V HA -0.127 3.992 4.120 -0.001 0.000 0.253 138 V C 1.430 177.264 176.094 -0.433 0.000 1.069 138 V CA 1.511 63.594 62.300 -0.361 0.000 1.082 138 V CB -0.800 30.763 31.823 -0.433 0.000 0.680 138 V HN 0.598 nan 8.190 nan 0.000 0.469 139 Y N 1.299 121.515 120.300 -0.140 0.000 2.524 139 Y HA 0.579 5.128 4.550 -0.001 0.000 0.266 139 Y C 1.846 177.672 175.900 -0.122 0.000 1.180 139 Y CA -0.076 57.959 58.100 -0.108 0.000 1.244 139 Y CB 0.009 38.414 38.460 -0.092 0.000 1.125 139 Y HN 0.406 nan 8.280 nan 0.000 0.524 140 G N 0.331 109.074 108.800 -0.095 0.000 2.147 140 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.244 140 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.244 140 G C -0.166 174.756 174.900 0.036 0.000 1.005 140 G CA 0.228 45.304 45.100 -0.039 0.000 0.713 140 G HN 0.626 nan 8.290 nan 0.000 0.515 141 H N -2.497 116.594 119.070 0.035 0.000 2.889 141 H HA -0.135 4.420 4.556 -0.001 0.000 0.324 141 H C -0.714 174.609 175.328 -0.009 0.000 1.274 141 H CA 1.002 57.054 56.048 0.007 0.000 1.176 141 H CB -1.630 28.129 29.762 -0.006 0.000 1.479 141 H HN 0.529 nan 8.280 nan 0.000 0.438 142 P HA -0.153 nan 4.420 nan 0.000 0.218 142 P C 1.522 178.812 177.300 -0.017 0.000 1.148 142 P CA 1.807 64.912 63.100 0.008 0.000 0.822 142 P CB 0.023 31.707 31.700 -0.027 0.000 0.784 143 S N 0.136 115.814 115.700 -0.035 0.000 2.469 143 S HA -0.099 4.371 4.470 -0.001 0.000 0.238 143 S C 1.577 176.142 174.600 -0.058 0.000 0.998 143 S CA 0.772 58.919 58.200 -0.088 0.000 0.957 143 S CB -0.832 62.270 63.200 -0.162 0.000 0.764 143 S HN 0.274 nan 8.310 nan 0.000 0.514 144 E N 0.994 121.188 120.200 -0.009 0.000 2.502 144 E HA 0.068 4.417 4.350 -0.001 0.000 0.194 144 E C 1.107 177.700 176.600 -0.012 0.000 1.062 144 E CA 0.144 56.537 56.400 -0.012 0.000 0.867 144 E CB 0.100 29.800 29.700 -0.000 0.000 0.888 144 E HN 0.581 nan 8.360 nan 0.000 0.510 145 R N -0.077 120.415 120.500 -0.014 0.000 2.509 145 R HA 0.323 4.663 4.340 -0.001 0.000 0.297 145 R C 0.492 176.776 176.300 -0.025 0.000 0.951 145 R CA 0.025 56.117 56.100 -0.014 0.000 1.103 145 R CB 1.083 31.380 30.300 -0.005 0.000 1.283 145 R HN -0.006 nan 8.270 nan 0.000 0.534 146 L N 0.811 122.010 121.223 -0.039 0.000 2.370 146 L HA 0.408 4.747 4.340 -0.001 0.000 0.266 146 L C -0.273 176.565 176.870 -0.052 0.000 1.002 146 L CA -0.756 54.055 54.840 -0.048 0.000 0.818 146 L CB 2.595 44.616 42.059 -0.064 0.000 1.325 146 L HN -0.193 nan 8.230 nan 0.000 0.418 147 T N 2.126 116.655 114.554 -0.041 0.000 2.739 147 T HA 0.293 4.642 4.350 -0.001 0.000 0.298 147 T C -0.098 174.577 174.700 -0.043 0.000 0.929 147 T CA -0.216 61.863 62.100 -0.034 0.000 1.014 147 T CB 0.479 69.337 68.868 -0.017 0.000 0.914 147 T HN 0.142 nan 8.240 nan 0.000 0.509 148 V N 6.029 125.903 119.914 -0.067 0.000 2.407 148 V HA 0.443 4.562 4.120 -0.001 0.000 0.278 148 V C 0.175 176.290 176.094 0.036 0.000 1.037 148 V CA -0.711 61.539 62.300 -0.083 0.000 0.900 148 V CB 1.182 32.846 31.823 -0.264 0.000 0.983 148 V HN 0.760 nan 8.190 nan 0.000 0.459 149 I N 3.850 124.469 120.570 0.082 0.000 2.404 149 I HA 0.631 4.800 4.170 -0.001 0.000 0.293 149 I C 0.682 176.930 176.117 0.218 0.000 0.992 149 I CA -0.143 61.241 61.300 0.140 0.000 1.149 149 I CB 1.854 39.893 38.000 0.065 0.000 1.315 149 I HN 0.702 nan 8.210 nan 0.000 0.446 150 G N 7.112 116.062 108.800 0.250 0.000 2.417 150 G HA2 0.734 4.693 3.960 -0.001 0.000 0.320 150 G HA3 0.734 4.693 3.960 -0.001 0.000 0.320 150 G C -0.799 174.103 174.900 0.004 0.000 1.204 150 G CA -0.395 44.780 45.100 0.125 0.000 0.923 150 G HN 0.476 nan 8.290 nan 0.000 0.466 151 I N 1.902 122.484 120.570 0.021 0.000 2.389 151 I HA 0.377 4.546 4.170 -0.001 0.000 0.288 151 I C 0.380 176.499 176.117 0.003 0.000 0.999 151 I CA -0.507 60.807 61.300 0.023 0.000 1.129 151 I CB 2.173 40.185 38.000 0.021 0.000 1.288 151 I HN 0.427 nan 8.210 nan 0.000 0.444 152 T N 3.846 118.415 114.554 0.024 0.000 2.905 152 T HA 0.929 5.278 4.350 -0.001 0.000 0.283 152 T C -0.368 174.225 174.700 -0.179 0.000 1.031 152 T CA -0.192 61.900 62.100 -0.015 0.000 1.002 152 T CB 1.852 70.753 68.868 0.056 0.000 1.200 152 T HN 1.015 nan 8.240 nan 0.000 0.560 153 G N 0.497 109.147 108.800 -0.251 0.000 2.316 153 G HA2 0.118 4.078 3.960 -0.001 0.000 0.468 153 G HA3 0.118 4.078 3.960 -0.001 0.000 0.468 153 G C 0.448 175.227 174.900 -0.202 0.000 1.523 153 G CA 0.152 44.952 45.100 -0.500 0.000 0.972 153 G HN 0.704 nan 8.290 nan 0.000 0.667 154 T N 0.463 114.917 114.554 -0.168 0.000 2.708 154 T HA 0.156 4.505 4.350 -0.001 0.000 0.266 154 T C 1.267 175.982 174.700 0.025 0.000 1.037 154 T CA 2.034 64.171 62.100 0.062 0.000 1.146 154 T CB -0.176 68.769 68.868 0.128 0.000 0.865 154 T HN 0.712 nan 8.240 nan 0.000 0.435 155 S N -1.622 114.028 115.700 -0.083 0.000 2.570 155 S HA 0.553 5.022 4.470 -0.001 0.000 0.286 155 S C 0.696 175.212 174.600 -0.140 0.000 1.099 155 S CA -0.194 57.947 58.200 -0.099 0.000 0.913 155 S CB 1.978 65.076 63.200 -0.171 0.000 1.085 155 S HN 0.596 nan 8.310 nan 0.000 0.480 156 G N 1.439 110.177 108.800 -0.104 0.000 2.144 156 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 156 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 156 G C 0.607 175.474 174.900 -0.055 0.000 0.988 156 G CA 0.435 45.481 45.100 -0.091 0.000 0.659 156 G HN 0.596 nan 8.290 nan 0.000 0.522 157 K N -0.283 120.091 120.400 -0.043 0.000 2.001 157 K HA -0.021 4.298 4.320 -0.001 0.000 0.208 157 K C 2.612 179.220 176.600 0.013 0.000 1.048 157 K CA 1.775 58.052 56.287 -0.016 0.000 0.932 157 K CB -0.408 32.090 32.500 -0.004 0.000 0.715 157 K HN 0.301 nan 8.250 nan 0.000 0.437 158 T N 1.045 115.600 114.554 0.003 0.000 2.684 158 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 158 T C 2.010 176.744 174.700 0.058 0.000 1.036 158 T CA 1.995 64.102 62.100 0.012 0.000 1.148 158 T CB -0.461 68.343 68.868 -0.105 0.000 0.863 158 T HN 0.286 nan 8.240 nan 0.000 0.436 159 T N 1.781 116.338 114.554 0.006 0.000 2.701 159 T HA -0.107 4.243 4.350 -0.001 0.000 0.263 159 T C 2.329 177.077 174.700 0.081 0.000 1.040 159 T CA 1.668 63.784 62.100 0.027 0.000 1.147 159 T CB -0.851 68.027 68.868 0.017 0.000 0.865 159 T HN 0.371 nan 8.240 nan 0.000 0.426 160 T N 2.217 116.799 114.554 0.046 0.000 2.778 160 T HA -0.167 4.182 4.350 -0.001 0.000 0.269 160 T C 2.421 177.152 174.700 0.052 0.000 1.050 160 T CA 1.871 63.994 62.100 0.038 0.000 1.137 160 T CB -0.743 68.129 68.868 0.007 0.000 0.860 160 T HN 0.739 nan 8.240 nan 0.000 0.468 161 T N -0.464 114.136 114.554 0.076 0.000 2.737 161 T HA -0.113 4.236 4.350 -0.001 0.000 0.265 161 T C 1.743 176.464 174.700 0.035 0.000 1.038 161 T CA 0.908 63.037 62.100 0.049 0.000 1.144 161 T CB -0.888 68.007 68.868 0.044 0.000 0.866 161 T HN 0.437 nan 8.240 nan 0.000 0.434 162 Y N 1.522 121.805 120.300 -0.029 0.000 2.224 162 Y HA 0.068 4.617 4.550 -0.002 0.000 0.289 162 Y C 2.445 178.335 175.900 -0.016 0.000 1.146 162 Y CA 0.979 59.064 58.100 -0.025 0.000 1.182 162 Y CB -0.331 38.112 38.460 -0.028 0.000 0.983 162 Y HN 0.159 nan 8.280 nan 0.000 0.524 163 L N -1.551 119.751 121.223 0.132 0.000 2.027 163 L HA -0.215 4.124 4.340 -0.001 0.000 0.206 163 L C 2.281 179.161 176.870 0.017 0.000 1.074 163 L CA 0.751 55.633 54.840 0.070 0.000 0.745 163 L CB -0.775 41.321 42.059 0.060 0.000 0.898 163 L HN 0.032 nan 8.230 nan 0.000 0.433 164 V N -0.221 119.692 119.914 -0.001 0.000 2.255 164 V HA -0.303 3.817 4.120 -0.001 0.000 0.247 164 V C 2.602 178.669 176.094 -0.044 0.000 1.051 164 V CA 1.954 64.237 62.300 -0.028 0.000 1.018 164 V CB -0.528 31.278 31.823 -0.028 0.000 0.641 164 V HN 0.503 nan 8.190 nan 0.000 0.445 165 E N 0.064 120.219 120.200 -0.074 0.000 2.160 165 E HA -0.235 4.115 4.350 -0.001 0.000 0.195 165 E C 2.145 178.698 176.600 -0.078 0.000 0.991 165 E CA 1.593 57.926 56.400 -0.112 0.000 0.810 165 E CB -0.044 29.518 29.700 -0.229 0.000 0.742 165 E HN 0.574 nan 8.360 nan 0.000 0.466 166 A N 0.190 122.984 122.820 -0.044 0.000 1.935 166 A HA 0.083 4.402 4.320 -0.001 0.000 0.214 166 A C 2.381 179.957 177.584 -0.012 0.000 1.178 166 A CA 1.220 53.248 52.037 -0.015 0.000 0.640 166 A CB -0.642 18.372 19.000 0.023 0.000 0.825 166 A HN 0.361 nan 8.150 nan 0.000 0.447 167 G N 0.157 108.948 108.800 -0.015 0.000 2.421 167 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.216 167 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.216 167 G C 1.371 176.258 174.900 -0.021 0.000 1.171 167 G CA 1.099 46.188 45.100 -0.018 0.000 0.775 167 G HN 0.288 nan 8.290 nan 0.000 0.543 168 L N 1.405 122.610 121.223 -0.029 0.000 2.034 168 L HA -0.174 4.165 4.340 -0.001 0.000 0.217 168 L C 3.445 180.299 176.870 -0.026 0.000 1.077 168 L CA 2.624 57.446 54.840 -0.029 0.000 0.769 168 L CB -1.351 40.684 42.059 -0.040 0.000 0.890 168 L HN 0.411 nan 8.230 nan 0.000 0.435 169 R N -0.927 119.556 120.500 -0.029 0.000 2.090 169 R HA 0.139 4.479 4.340 -0.001 0.000 0.228 169 R C 2.280 178.572 176.300 -0.014 0.000 1.110 169 R CA 1.401 57.486 56.100 -0.024 0.000 0.973 169 R CB -1.631 28.652 30.300 -0.029 0.000 0.869 169 R HN 0.495 nan 8.270 nan 0.000 0.440 170 A N 0.628 123.442 122.820 -0.010 0.000 2.024 170 A HA 0.287 4.607 4.320 -0.001 0.000 0.220 170 A C 2.412 179.993 177.584 -0.003 0.000 1.164 170 A CA 1.521 53.555 52.037 -0.004 0.000 0.643 170 A CB -0.470 18.529 19.000 -0.001 0.000 0.806 170 A HN 1.006 nan 8.150 nan 0.000 0.451 171 A N -1.156 121.661 122.820 -0.006 0.000 2.370 171 A HA 0.460 4.779 4.320 -0.001 0.000 0.238 171 A C 1.419 179.000 177.584 -0.005 0.000 1.289 171 A CA 0.736 52.771 52.037 -0.003 0.000 0.885 171 A CB -1.257 17.741 19.000 -0.003 0.000 0.961 171 A HN 1.826 nan 8.150 nan 0.000 0.499 172 G N 0.581 109.377 108.800 -0.007 0.000 2.338 172 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.296 172 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.296 172 G C -0.040 174.853 174.900 -0.011 0.000 1.040 172 G CA 0.134 45.229 45.100 -0.008 0.000 1.004 172 G HN 0.540 nan 8.290 nan 0.000 0.509 173 R N -0.537 119.954 120.500 -0.015 0.000 2.514 173 R HA 0.468 4.807 4.340 -0.001 0.000 0.301 173 R C 0.183 176.468 176.300 -0.024 0.000 0.962 173 R CA -0.909 55.181 56.100 -0.018 0.000 0.882 173 R CB 1.973 32.261 30.300 -0.019 0.000 1.143 173 R HN 0.116 nan 8.270 nan 0.000 0.452 174 V N 2.428 122.327 119.914 -0.024 0.000 2.485 174 V HA 0.257 4.376 4.120 -0.001 0.000 0.287 174 V C 0.518 176.590 176.094 -0.037 0.000 1.022 174 V CA 0.008 62.291 62.300 -0.029 0.000 1.067 174 V CB 0.687 32.494 31.823 -0.026 0.000 0.967 174 V HN 0.868 nan 8.190 nan 0.000 0.479 175 A N 4.281 127.073 122.820 -0.047 0.000 2.414 175 A HA 0.877 5.196 4.320 -0.001 0.000 0.306 175 A C 0.096 177.639 177.584 -0.068 0.000 1.054 175 A CA -0.131 51.872 52.037 -0.057 0.000 0.724 175 A CB 1.779 20.740 19.000 -0.065 0.000 1.267 175 A HN 0.991 nan 8.150 nan 0.000 0.418 176 G N 0.211 108.970 108.800 -0.068 0.000 2.417 176 G HA2 0.595 4.555 3.960 -0.001 0.000 0.334 176 G HA3 0.595 4.555 3.960 -0.001 0.000 0.334 176 G C -1.077 173.770 174.900 -0.089 0.000 1.150 176 G CA -0.499 44.556 45.100 -0.075 0.000 0.923 176 G HN 0.753 nan 8.290 nan 0.000 0.485 177 L N 0.987 122.148 121.223 -0.103 0.000 2.381 177 L HA 0.684 5.023 4.340 -0.001 0.000 0.268 177 L C -0.886 175.939 176.870 -0.075 0.000 0.997 177 L CA -0.996 53.771 54.840 -0.121 0.000 0.818 177 L CB 2.145 44.068 42.059 -0.226 0.000 1.310 177 L HN 0.358 nan 8.230 nan 0.000 0.416 178 I N 3.109 123.651 120.570 -0.046 0.000 2.534 178 I HA 0.686 4.855 4.170 -0.001 0.000 0.286 178 I C -0.047 176.070 176.117 0.001 0.000 1.094 178 I CA -0.339 60.948 61.300 -0.020 0.000 1.055 178 I CB 1.793 39.784 38.000 -0.014 0.000 1.225 178 I HN 0.721 nan 8.210 nan 0.000 0.435 179 G N 2.878 111.683 108.800 0.007 0.000 2.428 179 G HA2 0.229 4.189 3.960 -0.001 0.000 0.305 179 G HA3 0.229 4.189 3.960 -0.001 0.000 0.305 179 G C 0.229 175.127 174.900 -0.004 0.000 1.260 179 G CA 0.088 45.196 45.100 0.013 0.000 0.853 179 G HN 0.378 nan 8.290 nan 0.000 0.480 180 T N 0.836 115.365 114.554 -0.043 0.000 2.597 180 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 180 T C 2.387 176.998 174.700 -0.149 0.000 1.053 180 T CA 2.064 64.104 62.100 -0.099 0.000 1.165 180 T CB -0.437 68.300 68.868 -0.218 0.000 0.863 180 T HN 0.385 nan 8.240 nan 0.000 0.427 181 I N 0.953 121.325 120.570 -0.330 0.000 2.335 181 I HA 0.028 4.198 4.170 -0.001 0.000 0.251 181 I C 1.654 177.801 176.117 0.050 0.000 1.129 181 I CA 1.106 62.271 61.300 -0.226 0.000 1.402 181 I CB -0.614 37.249 38.000 -0.229 0.000 1.069 181 I HN 0.530 nan 8.210 nan 0.000 0.424 182 G N 0.037 108.862 108.800 0.041 0.000 2.404 182 G HA2 0.373 4.333 3.960 -0.001 0.000 0.253 182 G HA3 0.373 4.333 3.960 -0.001 0.000 0.253 182 G C -1.816 173.096 174.900 0.020 0.000 1.253 182 G CA -0.701 44.426 45.100 0.045 0.000 0.917 182 G HN -0.065 nan 8.290 nan 0.000 0.480 183 I N 0.608 121.183 120.570 0.007 0.000 2.499 183 I HA 0.580 4.749 4.170 -0.001 0.000 0.288 183 I C -0.124 175.977 176.117 -0.026 0.000 1.048 183 I CA -0.380 60.910 61.300 -0.017 0.000 1.062 183 I CB 2.264 40.251 38.000 -0.021 0.000 1.238 183 I HN 0.393 nan 8.210 nan 0.000 0.426 184 R N 4.898 125.367 120.500 -0.051 0.000 2.310 184 R HA 0.633 4.972 4.340 -0.001 0.000 0.324 184 R C -1.166 175.099 176.300 -0.059 0.000 0.955 184 R CA -0.691 55.374 56.100 -0.058 0.000 0.830 184 R CB 1.896 32.141 30.300 -0.091 0.000 1.154 184 R HN 0.303 nan 8.270 nan 0.000 0.458 185 V N 4.464 124.351 119.914 -0.046 0.000 2.218 185 V HA 0.254 4.374 4.120 -0.001 0.000 0.261 185 V C 1.226 177.296 176.094 -0.041 0.000 1.142 185 V CA 0.480 62.753 62.300 -0.044 0.000 0.965 185 V CB 0.080 31.880 31.823 -0.039 0.000 1.190 185 V HN 1.165 nan 8.190 nan 0.000 0.478 186 G N 4.738 113.510 108.800 -0.047 0.000 3.099 186 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.331 186 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.331 186 G C 1.133 176.009 174.900 -0.040 0.000 1.216 186 G CA 0.822 45.896 45.100 -0.043 0.000 0.977 186 G HN 1.020 nan 8.290 nan 0.000 0.600 187 G N 0.955 109.738 108.800 -0.029 0.000 2.545 187 G HA2 0.578 4.537 3.960 -0.001 0.000 0.212 187 G HA3 0.578 4.537 3.960 -0.001 0.000 0.212 187 G C 1.122 176.011 174.900 -0.018 0.000 1.144 187 G CA 1.537 46.624 45.100 -0.022 0.000 0.813 187 G HN 1.830 nan 8.290 nan 0.000 0.531 188 A N 0.125 122.934 122.820 -0.019 0.000 2.475 188 A HA 0.440 4.760 4.320 -0.001 0.000 0.239 188 A C 0.029 177.605 177.584 -0.015 0.000 1.087 188 A CA 0.417 52.444 52.037 -0.016 0.000 0.779 188 A CB 0.246 19.234 19.000 -0.019 0.000 1.036 188 A HN 0.131 nan 8.150 nan 0.000 0.506 189 D N 0.581 120.976 120.400 -0.007 0.000 3.220 189 D HA 0.239 4.878 4.640 -0.001 0.000 0.309 189 D C -0.422 175.881 176.300 0.006 0.000 1.276 189 D CA -0.101 53.900 54.000 0.001 0.000 0.736 189 D CB 0.072 40.879 40.800 0.011 0.000 1.304 189 D HN 0.468 nan 8.370 nan 0.000 0.582 190 L N 1.021 122.244 121.223 -0.001 0.000 2.473 190 L HA 0.346 4.685 4.340 -0.001 0.000 0.268 190 L C -1.967 174.910 176.870 0.012 0.000 1.215 190 L CA -1.144 53.697 54.840 0.002 0.000 0.823 190 L CB -0.147 41.908 42.059 -0.008 0.000 1.099 190 L HN -0.029 nan 8.230 nan 0.000 0.483 191 P HA 0.239 nan 4.420 nan 0.000 0.290 191 P C -1.257 176.056 177.300 0.021 0.000 1.283 191 P CA -0.710 62.407 63.100 0.027 0.000 0.869 191 P CB 1.702 33.418 31.700 0.027 0.000 1.100 192 S N 0.252 115.971 115.700 0.032 0.000 2.451 192 S HA 0.604 5.074 4.470 -0.001 0.000 0.301 192 S C 1.090 175.708 174.600 0.030 0.000 1.116 192 S CA -0.294 57.920 58.200 0.024 0.000 1.093 192 S CB 1.449 64.663 63.200 0.024 0.000 1.017 192 S HN 0.465 nan 8.310 nan 0.000 0.482 193 A N 3.752 126.581 122.820 0.016 0.000 1.873 193 A HA 0.270 4.589 4.320 -0.001 0.000 0.215 193 A C 0.805 178.398 177.584 0.014 0.000 1.186 193 A CA 0.691 52.736 52.037 0.013 0.000 0.616 193 A CB -0.626 18.374 19.000 0.001 0.000 0.823 193 A HN 0.826 nan 8.150 nan 0.000 0.442 194 L N -2.901 118.324 121.223 0.004 0.000 2.304 194 L HA 0.368 4.707 4.340 -0.001 0.000 0.268 194 L C 1.332 178.207 176.870 0.009 0.000 1.010 194 L CA -0.571 54.265 54.840 -0.007 0.000 0.813 194 L CB 1.416 43.456 42.059 -0.032 0.000 1.315 194 L HN 0.070 nan 8.230 nan 0.000 0.445 195 T N -1.201 113.359 114.554 0.009 0.000 2.896 195 T HA -0.009 4.341 4.350 -0.001 0.000 0.263 195 T C 0.443 175.153 174.700 0.017 0.000 1.050 195 T CA 1.061 63.175 62.100 0.023 0.000 1.140 195 T CB 0.044 68.938 68.868 0.043 0.000 0.877 195 T HN 0.560 nan 8.240 nan 0.000 0.457 196 T N 3.449 118.008 114.554 0.009 0.000 2.840 196 T HA 0.466 4.815 4.350 -0.001 0.000 0.287 196 T C -2.772 171.930 174.700 0.003 0.000 0.991 196 T CA -1.345 60.765 62.100 0.016 0.000 0.964 196 T CB 2.135 71.023 68.868 0.033 0.000 0.954 196 T HN -0.039 nan 8.240 nan 0.000 0.438 197 P HA 0.233 nan 4.420 nan 0.000 0.274 197 P C 0.101 177.401 177.300 -0.001 0.000 1.237 197 P CA -0.632 62.464 63.100 -0.006 0.000 0.793 197 P CB 0.544 32.236 31.700 -0.013 0.000 0.977 198 E N 0.580 120.779 120.200 -0.002 0.000 2.459 198 E HA -0.064 4.285 4.350 -0.001 0.000 0.264 198 E C 1.475 178.081 176.600 0.010 0.000 1.055 198 E CA 0.311 56.715 56.400 0.007 0.000 0.957 198 E CB 0.242 29.948 29.700 0.009 0.000 0.952 198 E HN 0.466 nan 8.360 nan 0.000 0.448 199 A N 5.207 128.038 122.820 0.019 0.000 1.873 199 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 199 A C -0.486 177.113 177.584 0.025 0.000 1.193 199 A CA 1.701 53.751 52.037 0.022 0.000 0.629 199 A CB -1.538 17.479 19.000 0.028 0.000 0.826 199 A HN 0.459 nan 8.150 nan 0.000 0.447 200 P HA -0.120 nan 4.420 nan 0.000 0.215 200 P C 1.544 178.844 177.300 0.001 0.000 1.157 200 P CA 1.946 65.100 63.100 0.089 0.000 0.868 200 P CB -0.428 31.342 31.700 0.116 0.000 0.788 201 T N 0.282 114.826 114.554 -0.016 0.000 2.635 201 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 201 T C 1.723 176.361 174.700 -0.102 0.000 1.040 201 T CA 1.318 63.380 62.100 -0.063 0.000 1.156 201 T CB -1.067 67.782 68.868 -0.032 0.000 0.863 201 T HN -0.031 nan 8.240 nan 0.000 0.430 202 L N 1.335 122.519 121.223 -0.066 0.000 1.978 202 L HA -0.175 4.165 4.340 -0.001 0.000 0.218 202 L C 2.536 179.332 176.870 -0.123 0.000 1.075 202 L CA 1.879 56.676 54.840 -0.072 0.000 0.767 202 L CB -0.790 41.249 42.059 -0.033 0.000 0.890 202 L HN 0.170 nan 8.230 nan 0.000 0.434 203 Q N -0.612 119.114 119.800 -0.123 0.000 2.124 203 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 203 Q C 2.279 178.046 176.000 -0.387 0.000 0.977 203 Q CA 1.752 57.465 55.803 -0.150 0.000 0.850 203 Q CB -0.739 28.002 28.738 0.004 0.000 0.901 203 Q HN 0.689 nan 8.270 nan 0.000 0.429 204 A N 0.231 122.657 122.820 -0.656 0.000 1.929 204 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 204 A C 2.180 179.515 177.584 -0.415 0.000 1.176 204 A CA 1.193 52.670 52.037 -0.934 0.000 0.628 204 A CB -0.423 18.010 19.000 -0.946 0.000 0.816 204 A HN 0.285 nan 8.150 nan 0.000 0.444 205 M N -0.610 118.833 119.600 -0.262 0.000 2.117 205 M HA -0.078 4.401 4.480 -0.001 0.000 0.262 205 M C 2.028 178.243 176.300 -0.142 0.000 1.065 205 M CA 1.289 56.492 55.300 -0.162 0.000 1.114 205 M CB -0.325 32.206 32.600 -0.115 0.000 1.361 205 M HN 0.407 nan 8.290 nan 0.000 0.408 206 L N -0.767 120.365 121.223 -0.150 0.000 2.017 206 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 206 L C 2.732 179.539 176.870 -0.105 0.000 1.073 206 L CA 1.251 56.021 54.840 -0.117 0.000 0.745 206 L CB -0.895 41.095 42.059 -0.115 0.000 0.894 206 L HN 0.314 nan 8.230 nan 0.000 0.432 207 A N 0.052 122.790 122.820 -0.136 0.000 1.908 207 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 207 A C 2.497 180.038 177.584 -0.071 0.000 1.181 207 A CA 1.938 53.923 52.037 -0.088 0.000 0.627 207 A CB -0.698 18.241 19.000 -0.103 0.000 0.818 207 A HN 0.438 nan 8.150 nan 0.000 0.445 208 A N -0.831 121.929 122.820 -0.099 0.000 1.930 208 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 208 A C 2.231 179.783 177.584 -0.053 0.000 1.175 208 A CA 1.666 53.662 52.037 -0.069 0.000 0.627 208 A CB -0.510 18.442 19.000 -0.080 0.000 0.815 208 A HN 0.524 nan 8.150 nan 0.000 0.443 209 M N -0.603 118.960 119.600 -0.062 0.000 2.213 209 M HA -0.128 4.351 4.480 -0.001 0.000 0.263 209 M C 2.016 178.291 176.300 -0.041 0.000 1.062 209 M CA 1.112 56.381 55.300 -0.052 0.000 1.105 209 M CB -0.358 32.206 32.600 -0.059 0.000 1.385 209 M HN 0.283 nan 8.290 nan 0.000 0.417 210 V N 0.368 120.258 119.914 -0.039 0.000 2.307 210 V HA -0.238 3.881 4.120 -0.001 0.000 0.245 210 V C 2.041 178.124 176.094 -0.020 0.000 1.045 210 V CA 1.834 64.119 62.300 -0.026 0.000 1.024 210 V CB -0.687 31.125 31.823 -0.018 0.000 0.651 210 V HN 0.480 nan 8.190 nan 0.000 0.449 211 E N -0.168 120.020 120.200 -0.019 0.000 2.110 211 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 211 E C 2.196 178.786 176.600 -0.016 0.000 0.988 211 E CA 0.632 57.024 56.400 -0.013 0.000 0.804 211 E CB -0.159 29.535 29.700 -0.011 0.000 0.745 211 E HN 0.382 nan 8.360 nan 0.000 0.458 212 R N -0.128 120.359 120.500 -0.022 0.000 2.346 212 R HA -0.021 4.318 4.340 -0.001 0.000 0.199 212 R C 1.058 177.346 176.300 -0.021 0.000 1.015 212 R CA 0.734 56.821 56.100 -0.022 0.000 1.058 212 R CB 0.148 30.431 30.300 -0.027 0.000 0.921 212 R HN 0.366 nan 8.270 nan 0.000 0.475 213 G N 0.547 109.335 108.800 -0.020 0.000 2.179 213 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.260 213 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.260 213 G C 0.339 175.226 174.900 -0.022 0.000 0.977 213 G CA 0.283 45.372 45.100 -0.018 0.000 0.641 213 G HN 0.187 nan 8.290 nan 0.000 0.533 214 V N 1.312 121.209 119.914 -0.028 0.000 2.673 214 V HA 0.312 4.431 4.120 -0.001 0.000 0.303 214 V C 1.482 177.558 176.094 -0.030 0.000 1.046 214 V CA 1.565 63.846 62.300 -0.032 0.000 1.126 214 V CB 1.342 33.141 31.823 -0.040 0.000 0.934 214 V HN 0.672 nan 8.190 nan 0.000 0.487 215 D N 1.974 122.356 120.400 -0.029 0.000 2.431 215 D HA 0.048 4.688 4.640 -0.001 0.000 0.227 215 D C 0.509 176.791 176.300 -0.030 0.000 1.030 215 D CA 0.262 54.246 54.000 -0.026 0.000 0.897 215 D CB 0.449 41.237 40.800 -0.020 0.000 1.058 215 D HN 0.553 nan 8.370 nan 0.000 0.500 216 T N 0.034 114.568 114.554 -0.033 0.000 2.893 216 T HA 0.610 4.959 4.350 -0.001 0.000 0.291 216 T C -1.155 173.519 174.700 -0.043 0.000 1.028 216 T CA -0.701 61.379 62.100 -0.034 0.000 0.995 216 T CB 2.471 71.322 68.868 -0.028 0.000 1.051 216 T HN -0.118 nan 8.240 nan 0.000 0.470 217 V N 2.508 122.396 119.914 -0.043 0.000 2.577 217 V HA 0.598 4.718 4.120 -0.001 0.000 0.303 217 V C -0.588 175.488 176.094 -0.030 0.000 1.042 217 V CA -0.816 61.456 62.300 -0.047 0.000 0.872 217 V CB 1.971 33.758 31.823 -0.059 0.000 0.998 217 V HN 0.705 nan 8.190 nan 0.000 0.423 218 V N 7.051 126.943 119.914 -0.035 0.000 2.398 218 V HA 0.676 4.796 4.120 -0.001 0.000 0.286 218 V C -0.432 175.659 176.094 -0.005 0.000 1.026 218 V CA -0.200 62.091 62.300 -0.015 0.000 0.868 218 V CB 1.486 33.289 31.823 -0.033 0.000 0.982 218 V HN 0.896 nan 8.190 nan 0.000 0.443 219 M N 5.148 124.773 119.600 0.041 0.000 2.393 219 M HA 0.524 5.004 4.480 -0.001 0.000 0.316 219 M C -0.460 175.874 176.300 0.058 0.000 1.087 219 M CA -0.495 54.840 55.300 0.057 0.000 0.937 219 M CB 2.410 35.085 32.600 0.125 0.000 1.668 219 M HN 0.655 nan 8.290 nan 0.000 0.438 220 E N 1.859 122.084 120.200 0.042 0.000 2.290 220 E HA 0.263 4.613 4.350 -0.001 0.000 0.277 220 E C -1.081 175.545 176.600 0.043 0.000 1.035 220 E CA -0.170 56.252 56.400 0.037 0.000 0.873 220 E CB 1.160 30.879 29.700 0.032 0.000 1.029 220 E HN 0.320 nan 8.360 nan 0.000 0.419 221 V N 4.116 124.045 119.914 0.025 0.000 2.305 221 V HA 0.082 4.202 4.120 -0.001 0.000 0.275 221 V C 0.225 176.328 176.094 0.015 0.000 1.020 221 V CA -0.734 61.574 62.300 0.014 0.000 0.811 221 V CB 0.758 32.546 31.823 -0.060 0.000 1.031 221 V HN 0.719 nan 8.190 nan 0.000 0.439 222 S N 3.059 118.782 115.700 0.037 0.000 2.584 222 S HA 0.106 4.575 4.470 -0.001 0.000 0.270 222 S C 1.476 176.121 174.600 0.075 0.000 1.346 222 S CA 0.230 58.463 58.200 0.056 0.000 1.018 222 S CB 1.280 64.507 63.200 0.044 0.000 0.899 222 S HN 1.010 nan 8.310 nan 0.000 0.542 223 S N 0.518 116.292 115.700 0.124 0.000 2.489 223 S HA -0.072 4.397 4.470 -0.001 0.000 0.228 223 S C 1.357 176.093 174.600 0.226 0.000 0.995 223 S CA 0.779 59.105 58.200 0.210 0.000 0.934 223 S CB -0.865 62.556 63.200 0.369 0.000 0.771 223 S HN 0.870 nan 8.310 nan 0.000 0.522 224 H N 2.191 121.252 119.070 -0.015 0.000 2.293 224 H HA 0.206 4.762 4.556 -0.000 0.000 0.300 224 H C 2.568 177.854 175.328 -0.071 0.000 1.082 224 H CA 1.783 57.684 56.048 -0.245 0.000 1.308 224 H CB -0.566 28.890 29.762 -0.510 0.000 1.375 224 H HN 0.546 nan 8.280 nan 0.000 0.495 225 A N 0.391 123.262 122.820 0.084 0.000 1.978 225 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 225 A C 2.228 179.858 177.584 0.078 0.000 1.170 225 A CA 1.480 53.556 52.037 0.065 0.000 0.636 225 A CB -0.704 18.327 19.000 0.052 0.000 0.810 225 A HN 0.329 nan 8.150 nan 0.000 0.448 226 L N -1.132 120.141 121.223 0.084 0.000 2.095 226 L HA -0.039 4.300 4.340 -0.001 0.000 0.204 226 L C 3.028 179.967 176.870 0.115 0.000 1.080 226 L CA 0.912 55.796 54.840 0.074 0.000 0.759 226 L CB -0.580 41.502 42.059 0.039 0.000 0.914 226 L HN 0.343 nan 8.230 nan 0.000 0.439 227 A N 0.059 122.990 122.820 0.185 0.000 1.940 227 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 227 A C 1.774 179.471 177.584 0.188 0.000 1.176 227 A CA 1.433 53.607 52.037 0.228 0.000 0.631 227 A CB -0.444 18.791 19.000 0.391 0.000 0.814 227 A HN 0.299 nan 8.150 nan 0.000 0.446 228 L N -0.721 120.601 121.223 0.166 0.000 2.741 228 L HA 0.261 4.600 4.340 -0.001 0.000 0.237 228 L C 1.458 178.377 176.870 0.082 0.000 1.178 228 L CA 0.745 55.660 54.840 0.126 0.000 0.973 228 L CB -1.443 40.684 42.059 0.113 0.000 1.255 228 L HN 0.558 nan 8.230 nan 0.000 0.498 229 G N 0.942 109.790 108.800 0.081 0.000 2.390 229 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.299 229 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.299 229 G C 1.358 176.294 174.900 0.058 0.000 1.002 229 G CA 0.677 45.816 45.100 0.065 0.000 0.979 229 G HN 0.420 nan 8.290 nan 0.000 0.513 230 R N -0.915 119.621 120.500 0.060 0.000 2.148 230 R HA 0.041 4.381 4.340 -0.001 0.000 0.227 230 R C 2.331 178.670 176.300 0.065 0.000 1.103 230 R CA 1.498 57.629 56.100 0.051 0.000 0.983 230 R CB 0.009 30.334 30.300 0.042 0.000 0.874 230 R HN 0.886 nan 8.270 nan 0.000 0.451 231 V N -2.174 117.799 119.914 0.097 0.000 3.170 231 V HA 0.153 4.272 4.120 -0.001 0.000 0.354 231 V C 0.525 176.703 176.094 0.140 0.000 1.350 231 V CA 0.040 62.431 62.300 0.151 0.000 1.244 231 V CB 0.487 32.480 31.823 0.283 0.000 1.222 231 V HN -0.093 nan 8.190 nan 0.000 0.478 232 D N 3.137 123.589 120.400 0.086 0.000 2.117 232 D HA -0.044 4.596 4.640 -0.001 0.000 0.197 232 D C 2.121 178.459 176.300 0.064 0.000 0.987 232 D CA 2.141 56.185 54.000 0.073 0.000 0.829 232 D CB -0.177 40.652 40.800 0.049 0.000 0.961 232 D HN 0.608 nan 8.370 nan 0.000 0.460 233 G N -0.585 108.242 108.800 0.045 0.000 2.920 233 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.208 233 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.208 233 G C 0.347 175.257 174.900 0.017 0.000 1.159 233 G CA 0.084 45.211 45.100 0.045 0.000 0.784 233 G HN 0.116 nan 8.290 nan 0.000 0.535 234 T N 1.539 116.073 114.554 -0.033 0.000 2.794 234 T HA 0.401 4.751 4.350 -0.001 0.000 0.296 234 T C 0.043 174.591 174.700 -0.254 0.000 0.949 234 T CA -0.385 61.581 62.100 -0.223 0.000 1.101 234 T CB 1.327 69.934 68.868 -0.434 0.000 0.905 234 T HN 0.016 nan 8.240 nan 0.000 0.516 235 R N 2.445 122.795 120.500 -0.250 0.000 2.248 235 R HA 0.351 4.690 4.340 -0.001 0.000 0.328 235 R C -0.724 175.389 176.300 -0.313 0.000 1.067 235 R CA -0.297 55.700 56.100 -0.171 0.000 0.924 235 R CB -0.354 29.894 30.300 -0.086 0.000 1.013 235 R HN 0.515 nan 8.270 nan 0.000 0.454 236 F N 1.268 121.193 119.950 -0.042 0.000 2.424 236 F HA 0.272 4.798 4.527 -0.001 0.000 0.356 236 F C 1.421 177.197 175.800 -0.040 0.000 1.110 236 F CA -0.392 57.578 58.000 -0.051 0.000 1.161 236 F CB 1.344 40.293 39.000 -0.086 0.000 1.115 236 F HN 0.638 nan 8.300 nan 0.000 0.507 237 A N 2.878 125.759 122.820 0.102 0.000 1.968 237 A HA 0.214 4.534 4.320 -0.001 0.000 0.217 237 A C 0.473 178.108 177.584 0.085 0.000 1.169 237 A CA 0.893 52.969 52.037 0.066 0.000 0.638 237 A CB -0.000 19.019 19.000 0.032 0.000 0.812 237 A HN 0.467 nan 8.150 nan 0.000 0.446 238 V N -1.793 118.192 119.914 0.118 0.000 2.932 238 V HA 0.614 4.733 4.120 -0.001 0.000 0.307 238 V C -0.142 175.996 176.094 0.072 0.000 1.147 238 V CA -0.215 62.140 62.300 0.092 0.000 0.951 238 V CB 1.856 33.726 31.823 0.078 0.000 1.031 238 V HN 0.424 nan 8.190 nan 0.000 0.426 239 G N 1.968 110.780 108.800 0.021 0.000 2.609 239 G HA2 0.777 4.736 3.960 -0.001 0.000 0.308 239 G HA3 0.777 4.736 3.960 -0.001 0.000 0.308 239 G C -0.714 174.365 174.900 0.300 0.000 1.369 239 G CA -0.115 44.930 45.100 -0.091 0.000 0.958 239 G HN 1.143 nan 8.290 nan 0.000 0.499 240 A N 1.938 124.935 122.820 0.296 0.000 2.337 240 A HA 0.819 5.139 4.320 -0.001 0.000 0.329 240 A C -1.571 176.252 177.584 0.398 0.000 1.146 240 A CA -0.724 51.502 52.037 0.315 0.000 0.800 240 A CB 1.448 20.526 19.000 0.130 0.000 1.220 240 A HN 0.989 nan 8.150 nan 0.000 0.472 241 F N 2.506 122.472 119.950 0.026 0.000 2.460 241 F HA 0.417 4.943 4.527 -0.000 0.000 0.341 241 F C 1.335 177.077 175.800 -0.097 0.000 1.130 241 F CA 0.095 58.012 58.000 -0.138 0.000 0.962 241 F CB 1.936 40.594 39.000 -0.570 0.000 1.171 241 F HN 0.713 nan 8.300 nan 0.000 0.436 242 T N 1.683 115.913 114.554 -0.541 0.000 2.755 242 T HA 0.204 4.554 4.350 -0.001 0.000 0.251 242 T C 0.124 174.568 174.700 -0.427 0.000 1.044 242 T CA 1.196 63.082 62.100 -0.357 0.000 1.154 242 T CB -0.427 68.284 68.868 -0.261 0.000 0.866 242 T HN 0.699 nan 8.240 nan 0.000 0.416 243 N N -0.818 117.388 118.700 -0.824 0.000 3.227 243 N HA 0.536 5.275 4.740 -0.001 0.000 0.241 243 N C -2.187 173.147 175.510 -0.293 0.000 1.480 243 N CA -1.081 51.775 53.050 -0.323 0.000 0.886 243 N CB 1.246 39.657 38.487 -0.126 0.000 1.406 243 N HN 0.382 nan 8.380 nan 0.000 0.514 244 L N 0.243 121.522 121.223 0.094 0.000 2.436 244 L HA 0.881 5.220 4.340 -0.001 0.000 0.268 244 L C -1.204 175.737 176.870 0.119 0.000 0.974 244 L CA 0.024 54.934 54.840 0.115 0.000 0.826 244 L CB 1.935 44.158 42.059 0.274 0.000 1.291 244 L HN 1.066 nan 8.230 nan 0.000 0.406 245 S N 2.093 117.882 115.700 0.149 0.000 2.607 245 S HA 0.823 5.292 4.470 -0.001 0.000 0.273 245 S C -0.313 174.422 174.600 0.225 0.000 1.148 245 S CA -0.459 57.828 58.200 0.145 0.000 0.833 245 S CB 1.472 64.715 63.200 0.072 0.000 1.130 245 S HN 0.954 nan 8.310 nan 0.000 0.470 246 R N 0.887 121.471 120.500 0.141 0.000 2.770 246 R HA 0.373 4.712 4.340 -0.001 0.000 0.361 246 R C -0.341 175.977 176.300 0.030 0.000 0.860 246 R CA 0.925 57.084 56.100 0.098 0.000 1.071 246 R CB -1.897 28.424 30.300 0.035 0.000 0.907 246 R HN 0.784 nan 8.270 nan 0.000 0.403 247 D N -0.612 119.766 120.400 -0.038 0.000 2.570 247 D HA 0.394 5.033 4.640 -0.001 0.000 0.244 247 D C -0.085 175.938 176.300 -0.461 0.000 1.178 247 D CA -0.371 53.482 54.000 -0.245 0.000 0.881 247 D CB 0.899 41.630 40.800 -0.115 0.000 1.453 247 D HN 0.609 nan 8.370 nan 0.000 0.447 248 H N 0.838 119.777 119.070 -0.217 0.000 2.921 248 H HA -0.160 4.395 4.556 -0.001 0.000 0.281 248 H C 0.395 175.674 175.328 -0.082 0.000 1.165 248 H CA 0.202 56.180 56.048 -0.116 0.000 1.151 248 H CB -1.030 28.682 29.762 -0.083 0.000 1.311 248 H HN 0.171 nan 8.280 nan 0.000 0.361 249 L N 2.266 123.462 121.223 -0.046 0.000 2.777 249 L HA 0.053 4.392 4.340 -0.001 0.000 0.244 249 L C 1.257 178.144 176.870 0.028 0.000 1.235 249 L CA 1.148 55.984 54.840 -0.005 0.000 1.062 249 L CB -0.188 41.851 42.059 -0.032 0.000 1.340 249 L HN 0.375 nan 8.230 nan 0.000 0.439 250 D N -4.148 116.298 120.400 0.077 0.000 2.516 250 D HA -0.035 4.604 4.640 -0.001 0.000 0.241 250 D C 1.169 177.560 176.300 0.152 0.000 1.246 250 D CA -0.118 53.930 54.000 0.079 0.000 0.808 250 D CB -0.417 40.422 40.800 0.064 0.000 1.147 250 D HN 0.200 nan 8.370 nan 0.000 0.527 251 F N 0.869 120.811 119.950 -0.013 0.000 2.463 251 F HA 0.281 4.808 4.527 -0.000 0.000 0.271 251 F C 0.452 176.141 175.800 -0.185 0.000 0.888 251 F CA -0.050 57.890 58.000 -0.100 0.000 1.149 251 F CB 0.269 39.179 39.000 -0.150 0.000 1.071 251 F HN -0.237 nan 8.300 nan 0.000 0.802 252 H N 2.967 121.943 119.070 -0.157 0.000 2.764 252 H HA 0.164 4.719 4.556 -0.001 0.000 0.341 252 H C -1.624 173.611 175.328 -0.155 0.000 1.072 252 H CA -1.082 54.823 56.048 -0.238 0.000 1.444 252 H CB 0.805 30.559 29.762 -0.012 0.000 1.458 252 H HN 0.151 nan 8.280 nan 0.000 0.572 253 P HA -0.026 nan 4.420 nan 0.000 0.245 253 P C -0.270 177.042 177.300 0.020 0.000 1.206 253 P CA 0.419 63.503 63.100 -0.027 0.000 0.781 253 P CB 0.676 32.342 31.700 -0.056 0.000 0.994 254 S N -2.576 113.161 115.700 0.061 0.000 2.567 254 S HA 0.362 4.832 4.470 -0.001 0.000 0.270 254 S C 0.751 175.416 174.600 0.108 0.000 1.152 254 S CA -0.777 57.462 58.200 0.064 0.000 0.835 254 S CB 0.574 63.801 63.200 0.045 0.000 1.115 254 S HN -0.338 nan 8.310 nan 0.000 0.459 255 M N 1.487 121.152 119.600 0.108 0.000 2.195 255 M HA -0.096 4.383 4.480 -0.001 0.000 0.260 255 M C 2.390 178.790 176.300 0.166 0.000 1.066 255 M CA 2.273 57.676 55.300 0.171 0.000 1.089 255 M CB -2.039 30.633 32.600 0.120 0.000 1.377 255 M HN 0.991 nan 8.290 nan 0.000 0.411 256 A N 0.595 123.476 122.820 0.101 0.000 1.841 256 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 256 A C 1.915 179.585 177.584 0.142 0.000 1.199 256 A CA 2.133 54.230 52.037 0.099 0.000 0.621 256 A CB -0.979 18.056 19.000 0.058 0.000 0.835 256 A HN 0.417 nan 8.150 nan 0.000 0.445 257 D N -1.706 118.760 120.400 0.109 0.000 2.133 257 D HA -0.193 4.446 4.640 -0.001 0.000 0.195 257 D C 1.694 178.009 176.300 0.025 0.000 0.997 257 D CA 1.771 55.831 54.000 0.100 0.000 0.840 257 D CB -0.443 40.430 40.800 0.121 0.000 0.947 257 D HN 0.557 nan 8.370 nan 0.000 0.452 258 Y N 0.665 120.815 120.300 -0.250 0.000 2.128 258 Y HA -0.246 4.303 4.550 -0.001 0.000 0.284 258 Y C 2.168 177.974 175.900 -0.157 0.000 1.154 258 Y CA 1.153 58.920 58.100 -0.555 0.000 1.149 258 Y CB -0.974 37.308 38.460 -0.297 0.000 0.976 258 Y HN -0.040 nan 8.280 nan 0.000 0.505 259 F N 0.993 120.836 119.950 -0.178 0.000 2.051 259 F HA -0.208 4.319 4.527 -0.001 0.000 0.296 259 F C 2.324 178.065 175.800 -0.097 0.000 1.122 259 F CA 2.113 60.009 58.000 -0.173 0.000 1.201 259 F CB -0.323 38.615 39.000 -0.104 0.000 0.978 259 F HN -0.019 nan 8.300 nan 0.000 0.472 260 E N 1.292 121.549 120.200 0.095 0.000 2.114 260 E HA -0.194 4.155 4.350 -0.001 0.000 0.199 260 E C 1.423 177.987 176.600 -0.059 0.000 1.008 260 E CA 0.902 57.313 56.400 0.019 0.000 0.810 260 E CB -1.246 28.509 29.700 0.092 0.000 0.739 260 E HN 0.449 nan 8.360 nan 0.000 0.456 264 S N -0.002 115.649 115.700 -0.081 0.000 2.603 264 S HA 0.048 4.518 4.470 -0.001 0.000 0.229 264 S C 1.429 175.935 174.600 -0.157 0.000 0.972 264 S CA 1.371 59.525 58.200 -0.077 0.000 0.935 264 S CB -0.111 63.059 63.200 -0.050 0.000 0.769 264 S HN 0.683 nan 8.310 nan 0.000 0.536 265 L N -0.583 120.469 121.223 -0.283 0.000 2.477 265 L HA 0.508 4.848 4.340 -0.001 0.000 0.220 265 L C 0.886 177.292 176.870 -0.774 0.000 1.106 265 L CA 1.071 55.520 54.840 -0.651 0.000 0.851 265 L CB -0.376 41.081 42.059 -1.003 0.000 0.994 265 L HN 0.346 nan 8.230 nan 0.000 0.462 266 F N -2.237 117.638 119.950 -0.125 0.000 2.740 266 F HA 0.258 4.784 4.527 -0.001 0.000 0.304 266 F C 0.919 176.677 175.800 -0.069 0.000 1.098 266 F CA -0.838 57.105 58.000 -0.095 0.000 1.258 266 F CB -0.097 38.827 39.000 -0.126 0.000 1.061 266 F HN -0.171 nan 8.300 nan 0.000 0.598 267 D N 3.338 123.784 120.400 0.078 0.000 2.451 267 D HA -0.011 4.629 4.640 -0.001 0.000 0.254 267 D C -1.700 174.617 176.300 0.028 0.000 1.204 267 D CA -0.992 53.034 54.000 0.044 0.000 0.896 267 D CB 1.385 42.197 40.800 0.019 0.000 1.136 267 D HN -0.004 nan 8.370 nan 0.000 0.499 268 P HA -0.136 nan 4.420 nan 0.000 0.216 268 P C 0.692 178.004 177.300 0.019 0.000 1.153 268 P CA 1.088 64.205 63.100 0.029 0.000 0.858 268 P CB 0.308 32.026 31.700 0.031 0.000 0.789 269 D N -1.252 119.159 120.400 0.018 0.000 2.355 269 D HA 0.007 4.647 4.640 -0.001 0.000 0.218 269 D C 0.806 177.113 176.300 0.012 0.000 1.004 269 D CA 0.426 54.435 54.000 0.015 0.000 0.880 269 D CB 0.054 40.864 40.800 0.016 0.000 0.911 269 D HN 0.141 nan 8.370 nan 0.000 0.528 270 S N -0.082 115.622 115.700 0.007 0.000 2.579 270 S HA 0.251 4.721 4.470 -0.001 0.000 0.275 270 S C 1.405 176.007 174.600 0.003 0.000 1.345 270 S CA -0.059 58.141 58.200 0.001 0.000 1.031 270 S CB 1.632 64.822 63.200 -0.016 0.000 0.892 270 S HN 0.170 nan 8.310 nan 0.000 0.529 271 A N 4.462 127.288 122.820 0.010 0.000 1.865 271 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 271 A C 1.930 179.531 177.584 0.029 0.000 1.191 271 A CA 1.252 53.301 52.037 0.021 0.000 0.623 271 A CB -0.756 18.261 19.000 0.028 0.000 0.826 271 A HN 0.729 nan 8.150 nan 0.000 0.444 272 L N -0.479 120.754 121.223 0.016 0.000 2.465 272 L HA 0.049 4.389 4.340 -0.001 0.000 0.224 272 L C 1.212 178.074 176.870 -0.013 0.000 1.145 272 L CA 0.500 55.359 54.840 0.032 0.000 0.834 272 L CB -1.685 40.351 42.059 -0.037 0.000 0.944 272 L HN 0.448 nan 8.230 nan 0.000 0.451 273 R N 1.890 122.364 120.500 -0.044 0.000 2.486 273 R HA 0.010 4.350 4.340 -0.001 0.000 0.304 273 R C 0.140 176.421 176.300 -0.031 0.000 0.913 273 R CA 0.562 56.618 56.100 -0.074 0.000 1.124 273 R CB -0.125 30.160 30.300 -0.025 0.000 0.891 273 R HN 0.221 nan 8.270 nan 0.000 0.410 274 A N 4.864 127.631 122.820 -0.088 0.000 2.425 274 A HA 0.160 4.479 4.320 -0.001 0.000 0.242 274 A C 1.180 178.784 177.584 0.034 0.000 1.077 274 A CA -0.224 51.822 52.037 0.014 0.000 0.781 274 A CB 0.423 19.402 19.000 -0.034 0.000 1.020 274 A HN 0.891 nan 8.150 nan 0.000 0.494 275 R N 0.137 120.671 120.500 0.056 0.000 2.103 275 R HA -0.093 4.246 4.340 -0.001 0.000 0.242 275 R C -0.277 176.052 176.300 0.049 0.000 1.142 275 R CA 2.037 58.163 56.100 0.045 0.000 0.960 275 R CB -0.464 29.860 30.300 0.040 0.000 0.858 275 R HN 0.788 nan 8.270 nan 0.000 0.439 276 T N -0.253 114.337 114.554 0.060 0.000 2.886 276 T HA 0.648 4.998 4.350 -0.001 0.000 0.292 276 T C -1.067 173.695 174.700 0.102 0.000 1.012 276 T CA -0.542 61.605 62.100 0.077 0.000 0.982 276 T CB 2.001 70.914 68.868 0.076 0.000 1.018 276 T HN 0.256 nan 8.240 nan 0.000 0.451 277 A N 2.359 125.266 122.820 0.145 0.000 2.312 277 A HA 0.839 5.158 4.320 -0.001 0.000 0.326 277 A C -0.594 177.120 177.584 0.217 0.000 1.172 277 A CA -0.645 51.541 52.037 0.248 0.000 0.821 277 A CB 0.797 20.019 19.000 0.370 0.000 1.166 277 A HN 0.697 nan 8.150 nan 0.000 0.493 278 V N 2.367 122.427 119.914 0.244 0.000 2.531 278 V HA 0.566 4.686 4.120 -0.001 0.000 0.301 278 V C -0.704 175.468 176.094 0.129 0.000 1.034 278 V CA -0.478 61.920 62.300 0.163 0.000 0.865 278 V CB 1.616 33.503 31.823 0.107 0.000 0.995 278 V HN 0.673 nan 8.190 nan 0.000 0.424 279 V N 3.423 123.386 119.914 0.081 0.000 2.623 279 V HA 0.320 4.439 4.120 -0.001 0.000 0.304 279 V C -0.117 176.020 176.094 0.072 0.000 1.054 279 V CA -0.596 61.726 62.300 0.038 0.000 0.882 279 V CB 1.930 33.693 31.823 -0.101 0.000 1.002 279 V HN 1.038 nan 8.190 nan 0.000 0.424 280 C N 6.143 125.516 119.300 0.121 0.000 2.585 280 C HA 0.340 4.799 4.460 -0.001 0.000 0.406 280 C C 1.537 176.579 174.990 0.087 0.000 1.312 280 C CA -0.234 58.840 59.018 0.094 0.000 1.924 280 C CB -0.404 27.383 27.740 0.079 0.000 2.578 280 C HN 0.768 nan 8.230 nan 0.000 0.580 281 I N 4.312 124.908 120.570 0.044 0.000 3.883 281 I HA 0.080 4.250 4.170 -0.001 0.000 0.326 281 I C 1.732 177.862 176.117 0.022 0.000 1.283 281 I CA 0.763 62.072 61.300 0.015 0.000 1.161 281 I CB -0.799 37.194 38.000 -0.012 0.000 1.012 281 I HN 0.695 nan 8.210 nan 0.000 0.421 282 D N 0.673 121.095 120.400 0.037 0.000 2.144 282 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 282 D C 1.044 177.364 176.300 0.034 0.000 0.978 282 D CA 0.977 54.995 54.000 0.029 0.000 0.833 282 D CB 0.130 40.947 40.800 0.030 0.000 0.961 282 D HN 0.265 nan 8.370 nan 0.000 0.470 283 D N 0.501 120.935 120.400 0.058 0.000 2.362 283 D HA -0.043 4.596 4.640 -0.001 0.000 0.242 283 D C 0.725 177.051 176.300 0.044 0.000 1.132 283 D CA -0.165 53.875 54.000 0.066 0.000 0.907 283 D CB 1.359 42.236 40.800 0.129 0.000 1.195 283 D HN -0.206 nan 8.370 nan 0.000 0.429 284 D N 1.940 122.353 120.400 0.022 0.000 2.084 284 D HA -0.106 4.533 4.640 -0.001 0.000 0.196 284 D C 1.756 178.034 176.300 -0.036 0.000 0.985 284 D CA 1.509 55.499 54.000 -0.017 0.000 0.826 284 D CB -0.342 40.438 40.800 -0.033 0.000 0.978 284 D HN 0.519 nan 8.370 nan 0.000 0.456 285 A N 0.794 123.613 122.820 -0.002 0.000 1.958 285 A HA -0.158 4.161 4.320 -0.001 0.000 0.221 285 A C 2.352 179.894 177.584 -0.070 0.000 1.178 285 A CA 2.453 54.486 52.037 -0.006 0.000 0.642 285 A CB -1.241 17.870 19.000 0.185 0.000 0.816 285 A HN 0.328 nan 8.150 nan 0.000 0.453 286 G N -0.552 108.267 108.800 0.030 0.000 2.491 286 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 286 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 286 G C 1.726 176.529 174.900 -0.162 0.000 1.180 286 G CA 1.111 46.163 45.100 -0.081 0.000 0.774 286 G HN 0.603 nan 8.290 nan 0.000 0.562 287 R N 0.553 121.000 120.500 -0.087 0.000 2.103 287 R HA -0.064 4.275 4.340 -0.001 0.000 0.242 287 R C 2.990 179.223 176.300 -0.111 0.000 1.142 287 R CA 1.438 57.486 56.100 -0.087 0.000 0.960 287 R CB -0.421 29.840 30.300 -0.064 0.000 0.858 287 R HN 0.374 nan 8.270 nan 0.000 0.439 288 A N 0.410 123.153 122.820 -0.129 0.000 1.969 288 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 288 A C 2.096 179.660 177.584 -0.034 0.000 1.169 288 A CA 1.067 53.033 52.037 -0.118 0.000 0.635 288 A CB -0.227 18.622 19.000 -0.251 0.000 0.810 288 A HN 0.133 nan 8.150 nan 0.000 0.445 289 M N -0.684 118.825 119.600 -0.151 0.000 2.200 289 M HA -0.051 4.429 4.480 -0.001 0.000 0.265 289 M C 2.553 178.681 176.300 -0.287 0.000 1.066 289 M CA 1.398 56.490 55.300 -0.346 0.000 1.127 289 M CB -1.100 30.884 32.600 -1.028 0.000 1.379 289 M HN 0.490 nan 8.290 nan 0.000 0.420 290 A N 0.436 123.114 122.820 -0.236 0.000 1.908 290 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 290 A C 2.356 179.903 177.584 -0.061 0.000 1.181 290 A CA 2.133 54.094 52.037 -0.126 0.000 0.627 290 A CB -0.886 18.059 19.000 -0.090 0.000 0.818 290 A HN 0.492 nan 8.150 nan 0.000 0.445 291 A N -0.666 122.119 122.820 -0.057 0.000 1.972 291 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 291 A C 2.163 179.743 177.584 -0.007 0.000 1.169 291 A CA 2.004 54.026 52.037 -0.026 0.000 0.635 291 A CB -0.377 18.605 19.000 -0.030 0.000 0.810 291 A HN 0.491 nan 8.150 nan 0.000 0.446 292 R N 0.033 120.527 120.500 -0.011 0.000 2.057 292 R HA 0.095 4.434 4.340 -0.001 0.000 0.229 292 R C 2.123 178.440 176.300 0.029 0.000 1.136 292 R CA 1.671 57.781 56.100 0.017 0.000 0.952 292 R CB -0.811 29.506 30.300 0.028 0.000 0.848 292 R HN 0.331 nan 8.270 nan 0.000 0.430 293 A N -0.162 122.675 122.820 0.028 0.000 2.186 293 A HA 0.133 4.452 4.320 -0.001 0.000 0.219 293 A C 1.743 179.364 177.584 0.062 0.000 1.159 293 A CA 1.734 53.819 52.037 0.080 0.000 0.680 293 A CB -0.737 18.339 19.000 0.125 0.000 0.787 293 A HN 0.683 nan 8.150 nan 0.000 0.467 294 A N -0.065 122.779 122.820 0.041 0.000 1.344 294 A HA -0.345 3.974 4.320 -0.001 0.000 0.222 294 A C 0.891 178.509 177.584 0.056 0.000 0.364 294 A CA 2.045 54.106 52.037 0.041 0.000 1.096 294 A CB -2.099 16.924 19.000 0.038 0.000 1.468 294 A HN 1.190 nan 8.150 nan 0.000 0.722 295 D N 0.060 120.500 120.400 0.066 0.000 3.088 295 D HA 0.656 5.295 4.640 -0.001 0.000 0.310 295 D C 0.066 176.429 176.300 0.105 0.000 1.351 295 D CA 0.621 54.668 54.000 0.078 0.000 0.921 295 D CB -0.385 40.449 40.800 0.057 0.000 1.045 295 D HN 1.138 nan 8.370 nan 0.000 0.504 296 A N 0.561 123.455 122.820 0.124 0.000 2.332 296 A HA 0.516 4.836 4.320 -0.001 0.000 0.258 296 A C 0.222 177.951 177.584 0.243 0.000 1.087 296 A CA -0.564 51.562 52.037 0.148 0.000 0.802 296 A CB 0.347 19.400 19.000 0.088 0.000 1.042 296 A HN 0.480 nan 8.150 nan 0.000 0.489 297 I N 1.838 122.565 120.570 0.261 0.000 2.304 297 I HA 0.238 4.408 4.170 -0.001 0.000 0.291 297 I C 0.839 177.189 176.117 0.389 0.000 1.018 297 I CA -0.084 61.494 61.300 0.464 0.000 1.260 297 I CB 1.327 39.521 38.000 0.324 0.000 1.390 297 I HN 0.802 nan 8.210 nan 0.000 0.475 298 T N 3.254 118.014 114.554 0.344 0.000 2.902 298 T HA 0.743 5.093 4.350 -0.001 0.000 0.280 298 T C -0.340 174.440 174.700 0.133 0.000 0.992 298 T CA -0.712 61.424 62.100 0.060 0.000 1.015 298 T CB 2.090 70.862 68.868 -0.160 0.000 1.044 298 T HN 0.247 nan 8.240 nan 0.000 0.520 299 V N 1.126 121.100 119.914 0.099 0.000 2.752 299 V HA 0.664 4.784 4.120 -0.001 0.000 0.302 299 V C -0.760 175.385 176.094 0.085 0.000 1.133 299 V CA -0.732 61.656 62.300 0.147 0.000 0.919 299 V CB 2.094 33.984 31.823 0.113 0.000 1.026 299 V HN 1.196 nan 8.190 nan 0.000 0.429 300 S N 3.291 119.045 115.700 0.090 0.000 2.619 300 S HA 0.734 5.203 4.470 -0.001 0.000 0.280 300 S C 0.398 175.019 174.600 0.035 0.000 1.150 300 S CA 0.308 58.535 58.200 0.046 0.000 0.978 300 S CB 1.942 65.159 63.200 0.027 0.000 1.041 300 S HN 1.215 nan 8.310 nan 0.000 0.485 301 A N 3.364 126.181 122.820 -0.004 0.000 2.345 301 A HA 0.627 4.946 4.320 -0.001 0.000 0.225 301 A C 1.153 178.713 177.584 -0.041 0.000 1.243 301 A CA 0.443 52.449 52.037 -0.052 0.000 0.875 301 A CB -0.165 18.760 19.000 -0.124 0.000 0.929 301 A HN 1.224 nan 8.150 nan 0.000 0.502 302 A N -0.881 121.930 122.820 -0.015 0.000 2.965 302 A HA 0.481 4.801 4.320 -0.001 0.000 0.304 302 A C 0.811 178.390 177.584 -0.007 0.000 1.214 302 A CA 1.126 53.155 52.037 -0.013 0.000 0.977 302 A CB -1.394 17.603 19.000 -0.005 0.000 1.127 302 A HN 1.392 nan 8.150 nan 0.000 0.572 303 D N -0.318 120.080 120.400 -0.004 0.000 3.068 303 D HA -0.257 4.382 4.640 -0.001 0.000 0.219 303 D C 0.458 176.758 176.300 -0.000 0.000 1.175 303 D CA 2.039 56.040 54.000 0.001 0.000 0.942 303 D CB -1.778 39.021 40.800 -0.002 0.000 1.127 303 D HN 0.834 nan 8.370 nan 0.000 0.404 304 R N -0.006 120.493 120.500 -0.001 0.000 2.539 304 R HA 0.500 4.839 4.340 -0.001 0.000 0.275 304 R C -2.551 173.744 176.300 -0.009 0.000 1.077 304 R CA -1.255 54.841 56.100 -0.007 0.000 1.097 304 R CB 0.590 30.884 30.300 -0.009 0.000 1.018 304 R HN 0.233 nan 8.270 nan 0.000 0.483 305 P HA 0.111 nan 4.420 nan 0.000 0.275 305 P C -1.327 175.934 177.300 -0.065 0.000 1.276 305 P CA 0.215 63.297 63.100 -0.030 0.000 0.782 305 P CB 1.182 32.865 31.700 -0.030 0.000 0.851 306 A N 2.899 125.685 122.820 -0.057 0.000 2.485 306 A HA 0.496 4.816 4.320 -0.001 0.000 0.292 306 A C 0.778 178.311 177.584 -0.086 0.000 1.147 306 A CA -0.469 51.503 52.037 -0.109 0.000 0.750 306 A CB 0.662 19.662 19.000 0.000 0.000 1.331 306 A HN 0.509 nan 8.150 nan 0.000 0.419 307 H N -0.909 118.225 119.070 0.107 0.000 2.389 307 H HA -0.049 4.506 4.556 -0.001 0.000 0.299 307 H C -0.534 174.777 175.328 -0.028 0.000 1.081 307 H CA 1.189 57.267 56.048 0.049 0.000 1.345 307 H CB 0.009 29.836 29.762 0.108 0.000 1.393 307 H HN 0.609 nan 8.280 nan 0.000 0.520 308 W N 0.972 122.352 121.300 0.134 0.000 2.529 308 W HA 0.521 5.181 4.660 -0.000 0.000 0.321 308 W C 0.053 176.616 176.519 0.074 0.000 1.047 308 W CA -0.595 56.815 57.345 0.108 0.000 1.216 308 W CB 1.264 30.790 29.460 0.109 0.000 1.357 308 W HN -0.247 nan 8.180 nan 0.000 0.489 309 R N 1.720 122.393 120.500 0.287 0.000 2.725 309 R HA 0.837 5.176 4.340 -0.001 0.000 0.277 309 R C -0.904 175.525 176.300 0.215 0.000 0.987 309 R CA -0.857 55.353 56.100 0.183 0.000 0.901 309 R CB 2.068 32.427 30.300 0.099 0.000 1.207 309 R HN 0.516 nan 8.270 nan 0.000 0.463 310 A N 1.047 123.957 122.820 0.149 0.000 2.355 310 A HA 0.858 5.177 4.320 -0.001 0.000 0.324 310 A C -0.768 176.875 177.584 0.098 0.000 1.117 310 A CA -0.520 51.623 52.037 0.176 0.000 0.785 310 A CB 1.516 20.491 19.000 -0.042 0.000 1.254 310 A HN 0.742 nan 8.150 nan 0.000 0.453 311 T N -2.070 112.572 114.554 0.147 0.000 2.739 311 T HA 0.582 4.932 4.350 -0.001 0.000 0.303 311 T C -1.007 173.756 174.700 0.105 0.000 1.389 311 T CA -0.169 61.980 62.100 0.083 0.000 1.001 311 T CB 1.077 69.980 68.868 0.059 0.000 1.436 311 T HN 0.689 nan 8.240 nan 0.000 0.500 312 D N -0.668 119.770 120.400 0.063 0.000 2.870 312 D HA -0.110 4.529 4.640 -0.001 0.000 0.228 312 D C 0.038 176.385 176.300 0.079 0.000 1.147 312 D CA 0.550 54.584 54.000 0.055 0.000 0.757 312 D CB -1.926 38.895 40.800 0.035 0.000 1.091 312 D HN 0.656 nan 8.370 nan 0.000 0.429 313 V N 0.007 119.969 119.914 0.079 0.000 2.458 313 V HA 0.373 4.492 4.120 -0.001 0.000 0.287 313 V C 1.017 177.149 176.094 0.065 0.000 1.009 313 V CA 0.652 63.003 62.300 0.084 0.000 1.091 313 V CB 0.828 32.644 31.823 -0.013 0.000 0.960 313 V HN 0.416 nan 8.190 nan 0.000 0.476 314 A N 8.092 130.967 122.820 0.092 0.000 2.332 314 A HA 0.780 5.100 4.320 -0.001 0.000 0.300 314 A C -2.572 175.059 177.584 0.078 0.000 1.153 314 A CA -1.889 50.193 52.037 0.076 0.000 0.764 314 A CB 1.164 20.215 19.000 0.086 0.000 1.174 314 A HN 0.616 nan 8.150 nan 0.000 0.467 315 P HA 0.043 nan 4.420 nan 0.000 0.265 315 P C 0.263 177.601 177.300 0.063 0.000 1.167 315 P CA 1.013 64.148 63.100 0.058 0.000 0.760 315 P CB 0.462 32.196 31.700 0.058 0.000 0.783 316 T N -2.192 112.397 114.554 0.059 0.000 2.906 316 T HA 0.611 4.960 4.350 -0.001 0.000 0.295 316 T C -0.349 174.375 174.700 0.041 0.000 1.075 316 T CA -0.731 61.402 62.100 0.054 0.000 1.005 316 T CB 0.845 69.751 68.868 0.063 0.000 1.136 316 T HN 0.298 nan 8.240 nan 0.000 0.498 317 D N -0.398 120.022 120.400 0.033 0.000 2.472 317 D HA 0.490 5.129 4.640 -0.001 0.000 0.237 317 D C 1.327 177.640 176.300 0.022 0.000 1.141 317 D CA 0.240 54.253 54.000 0.023 0.000 0.875 317 D CB -0.470 40.340 40.800 0.016 0.000 1.192 317 D HN 2.115 nan 8.370 nan 0.000 0.450 318 A N 0.050 122.880 122.820 0.016 0.000 3.330 318 A HA 0.316 4.635 4.320 -0.001 0.000 0.248 318 A C 2.339 179.937 177.584 0.023 0.000 1.237 318 A CA 1.451 53.497 52.037 0.015 0.000 1.268 318 A CB -1.834 17.175 19.000 0.016 0.000 1.128 318 A HN 2.799 nan 8.150 nan 0.000 0.922 319 G N -2.112 106.705 108.800 0.029 0.000 2.187 319 G HA2 0.091 4.050 3.960 -0.001 0.000 0.261 319 G HA3 0.091 4.050 3.960 -0.001 0.000 0.261 319 G C 1.625 176.547 174.900 0.038 0.000 1.000 319 G CA 1.324 46.444 45.100 0.035 0.000 0.718 319 G HN 2.452 nan 8.290 nan 0.000 0.519 320 G N -1.582 107.245 108.800 0.044 0.000 2.531 320 G HA2 0.629 4.589 3.960 -0.001 0.000 0.281 320 G HA3 0.629 4.589 3.960 -0.001 0.000 0.281 320 G C -0.258 174.683 174.900 0.068 0.000 1.382 320 G CA -0.300 44.833 45.100 0.056 0.000 1.045 320 G HN 0.507 nan 8.290 nan 0.000 0.533 321 Q N -0.641 119.219 119.800 0.099 0.000 2.271 321 Q HA 0.272 4.611 4.340 -0.001 0.000 0.268 321 Q C -0.903 175.219 176.000 0.203 0.000 1.021 321 Q CA -0.539 55.344 55.803 0.134 0.000 0.802 321 Q CB 2.476 31.289 28.738 0.126 0.000 1.282 321 Q HN 0.732 nan 8.270 nan 0.000 0.431 322 Q N 2.300 122.213 119.800 0.188 0.000 2.248 322 Q HA 0.832 5.171 4.340 -0.001 0.000 0.263 322 Q C -0.788 175.328 176.000 0.193 0.000 1.007 322 Q CA -0.739 55.161 55.803 0.162 0.000 0.877 322 Q CB 1.867 30.729 28.738 0.207 0.000 1.315 322 Q HN 0.541 nan 8.270 nan 0.000 0.454 323 F N -2.872 116.989 119.950 -0.149 0.000 2.858 323 F HA 0.526 5.052 4.527 -0.001 0.000 0.319 323 F C -1.565 174.079 175.800 -0.259 0.000 1.166 323 F CA -1.070 56.825 58.000 -0.175 0.000 0.899 323 F CB 1.353 40.319 39.000 -0.057 0.000 1.332 323 F HN 0.383 nan 8.300 nan 0.000 0.461 324 T N 1.933 116.512 114.554 0.041 0.000 2.749 324 T HA 0.699 5.048 4.350 -0.001 0.000 0.287 324 T C -0.285 174.564 174.700 0.248 0.000 0.970 324 T CA -0.206 61.893 62.100 -0.002 0.000 0.980 324 T CB 1.047 69.925 68.868 0.015 0.000 0.924 324 T HN 0.881 nan 8.240 nan 0.000 0.456 325 A N 4.529 127.461 122.820 0.187 0.000 2.269 325 A HA 0.633 4.953 4.320 -0.001 0.000 0.302 325 A C -0.042 177.746 177.584 0.339 0.000 1.266 325 A CA -0.589 51.689 52.037 0.401 0.000 0.894 325 A CB -0.282 18.982 19.000 0.441 0.000 1.147 325 A HN 0.874 nan 8.150 nan 0.000 0.537 326 I N 3.588 124.307 120.570 0.249 0.000 2.304 326 I HA 0.217 4.387 4.170 -0.001 0.000 0.291 326 I C -0.066 175.968 176.117 -0.139 0.000 1.018 326 I CA -0.579 60.767 61.300 0.077 0.000 1.260 326 I CB 1.175 39.199 38.000 0.041 0.000 1.390 326 I HN 0.771 nan 8.210 nan 0.000 0.475 327 D N 7.193 127.352 120.400 -0.402 0.000 2.414 327 D HA 0.199 4.838 4.640 -0.001 0.000 0.251 327 D C -2.100 173.768 176.300 -0.721 0.000 1.252 327 D CA -2.206 51.079 54.000 -1.193 0.000 0.999 327 D CB 0.054 40.219 40.800 -1.058 0.000 1.093 327 D HN 0.155 nan 8.370 nan 0.000 0.515 328 P HA 0.046 nan 4.420 nan 0.000 0.228 328 P C 0.505 177.693 177.300 -0.186 0.000 1.151 328 P CA 1.423 64.336 63.100 -0.311 0.000 0.770 328 P CB 0.054 31.621 31.700 -0.221 0.000 0.786 329 A N -1.107 121.592 122.820 -0.203 0.000 2.387 329 A HA 0.532 4.851 4.320 -0.001 0.000 0.234 329 A C 1.603 179.129 177.584 -0.097 0.000 1.253 329 A CA 0.471 52.441 52.037 -0.112 0.000 0.894 329 A CB -0.945 18.005 19.000 -0.084 0.000 0.963 329 A HN 0.205 nan 8.150 nan 0.000 0.508 330 G N -1.121 107.605 108.800 -0.122 0.000 2.162 330 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.260 330 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.260 330 G C 0.186 175.037 174.900 -0.082 0.000 0.976 330 G CA 0.251 45.299 45.100 -0.085 0.000 0.655 330 G HN 0.795 nan 8.290 nan 0.000 0.533 331 V N 1.096 120.951 119.914 -0.098 0.000 2.498 331 V HA 0.640 4.759 4.120 -0.001 0.000 0.279 331 V C 1.362 177.363 176.094 -0.154 0.000 1.048 331 V CA 0.059 62.281 62.300 -0.130 0.000 0.967 331 V CB 1.315 33.063 31.823 -0.125 0.000 0.988 331 V HN 0.666 nan 8.190 nan 0.000 0.473 332 G N 2.969 111.658 108.800 -0.186 0.000 2.503 332 G HA2 0.497 4.456 3.960 -0.001 0.000 0.257 332 G HA3 0.497 4.456 3.960 -0.001 0.000 0.257 332 G C -0.890 173.794 174.900 -0.359 0.000 1.214 332 G CA -0.173 44.847 45.100 -0.134 0.000 0.839 332 G HN 0.835 nan 8.290 nan 0.000 0.559 333 H N -0.938 118.148 119.070 0.027 0.000 3.017 333 H HA 0.207 4.762 4.556 -0.001 0.000 0.340 333 H C -0.802 174.514 175.328 -0.020 0.000 1.014 333 H CA -0.681 55.388 56.048 0.035 0.000 1.341 333 H CB 1.433 31.238 29.762 0.072 0.000 1.739 333 H HN 0.554 nan 8.280 nan 0.000 0.506 334 H N 4.726 123.813 119.070 0.028 0.000 2.934 334 H HA 0.136 4.691 4.556 -0.001 0.000 0.273 334 H C -0.504 174.755 175.328 -0.115 0.000 1.121 334 H CA -0.013 56.003 56.048 -0.054 0.000 1.451 334 H CB 0.117 29.859 29.762 -0.033 0.000 1.469 334 H HN 0.422 nan 8.280 nan 0.000 0.476 335 I N 3.221 123.638 120.570 -0.255 0.000 2.648 335 I HA 0.339 4.508 4.170 -0.001 0.000 0.304 335 I C 0.946 176.912 176.117 -0.252 0.000 1.009 335 I CA -0.815 60.285 61.300 -0.333 0.000 1.114 335 I CB 1.760 39.301 38.000 -0.764 0.000 1.293 335 I HN 0.645 nan 8.210 nan 0.000 0.449 336 G N 5.429 114.176 108.800 -0.089 0.000 2.723 336 G HA2 0.597 4.556 3.960 -0.001 0.000 0.295 336 G HA3 0.597 4.556 3.960 -0.001 0.000 0.295 336 G C -1.370 173.561 174.900 0.051 0.000 1.464 336 G CA -0.143 44.968 45.100 0.018 0.000 1.012 336 G HN 0.284 nan 8.290 nan 0.000 0.522 337 I N 2.073 122.713 120.570 0.116 0.000 2.530 337 I HA 0.474 4.643 4.170 -0.001 0.000 0.297 337 I C 1.118 177.292 176.117 0.095 0.000 1.011 337 I CA -1.371 60.005 61.300 0.126 0.000 1.107 337 I CB 2.168 40.288 38.000 0.199 0.000 1.285 337 I HN 0.621 nan 8.210 nan 0.000 0.436 338 R N 5.612 126.156 120.500 0.072 0.000 2.313 338 R HA 0.191 4.531 4.340 -0.001 0.000 0.199 338 R C -0.529 175.801 176.300 0.049 0.000 0.958 338 R CA 0.211 56.343 56.100 0.054 0.000 1.047 338 R CB 0.102 30.428 30.300 0.043 0.000 0.955 338 R HN 0.455 nan 8.270 nan 0.000 0.481 339 L N 2.642 123.899 121.223 0.056 0.000 2.309 339 L HA 0.476 4.815 4.340 -0.001 0.000 0.282 339 L C -2.136 174.748 176.870 0.023 0.000 1.036 339 L CA -2.362 52.503 54.840 0.042 0.000 0.806 339 L CB 1.636 43.726 42.059 0.051 0.000 1.220 339 L HN -0.065 nan 8.230 nan 0.000 0.429 340 P HA 0.382 nan 4.420 nan 0.000 0.278 340 P C -0.303 176.921 177.300 -0.128 0.000 1.266 340 P CA -0.184 62.895 63.100 -0.034 0.000 0.807 340 P CB 1.429 33.123 31.700 -0.010 0.000 1.094 341 G N 0.580 109.253 108.800 -0.211 0.000 3.338 341 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.686 341 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.686 341 G C 0.489 175.070 174.900 -0.531 0.000 1.053 341 G CA -0.152 44.662 45.100 -0.477 0.000 0.852 341 G HN 0.603 nan 8.290 nan 0.000 0.545 342 R N 2.028 122.263 120.500 -0.442 0.000 2.117 342 R HA -0.179 4.160 4.340 -0.001 0.000 0.243 342 R C 2.430 178.597 176.300 -0.222 0.000 1.143 342 R CA 3.323 59.257 56.100 -0.277 0.000 0.968 342 R CB -0.649 29.546 30.300 -0.175 0.000 0.863 342 R HN 1.198 nan 8.270 nan 0.000 0.444 343 Y N -1.688 118.576 120.300 -0.059 0.000 2.571 343 Y HA 0.220 4.769 4.550 -0.001 0.000 0.294 343 Y C 1.156 177.019 175.900 -0.061 0.000 1.141 343 Y CA 0.068 58.133 58.100 -0.059 0.000 1.308 343 Y CB -0.801 37.636 38.460 -0.039 0.000 1.002 343 Y HN -0.001 nan 8.280 nan 0.000 0.551 344 N N 0.575 119.335 118.700 0.100 0.000 2.409 344 N HA -0.057 4.683 4.740 -0.001 0.000 0.179 344 N C 1.780 177.291 175.510 0.002 0.000 1.032 344 N CA 0.974 54.091 53.050 0.112 0.000 0.898 344 N CB -0.041 38.484 38.487 0.065 0.000 0.971 344 N HN 0.362 nan 8.380 nan 0.000 0.441 345 V N 1.473 121.306 119.914 -0.135 0.000 2.295 345 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 345 V C 2.452 178.418 176.094 -0.213 0.000 1.049 345 V CA 1.882 63.967 62.300 -0.359 0.000 1.024 345 V CB -0.933 30.508 31.823 -0.636 0.000 0.648 345 V HN 0.255 nan 8.190 nan 0.000 0.447 346 A N 0.477 123.237 122.820 -0.099 0.000 1.877 346 A HA -0.242 4.077 4.320 -0.001 0.000 0.216 346 A C 2.071 179.654 177.584 -0.002 0.000 1.186 346 A CA 2.093 54.110 52.037 -0.033 0.000 0.620 346 A CB -0.754 18.255 19.000 0.014 0.000 0.822 346 A HN 0.583 nan 8.150 nan 0.000 0.443 347 N N -0.290 118.429 118.700 0.031 0.000 2.094 347 N HA -0.178 4.562 4.740 -0.001 0.000 0.191 347 N C 1.740 177.265 175.510 0.025 0.000 1.023 347 N CA 1.528 54.596 53.050 0.029 0.000 0.857 347 N CB -1.136 37.385 38.487 0.058 0.000 1.013 347 N HN 0.565 nan 8.380 nan 0.000 0.426 348 C N 0.841 120.172 119.300 0.053 0.000 2.425 348 C HA 0.037 4.497 4.460 -0.001 0.000 0.277 348 C C 2.677 177.707 174.990 0.068 0.000 1.280 348 C CA 0.254 59.333 59.018 0.101 0.000 1.744 348 C CB -1.218 26.669 27.740 0.245 0.000 1.989 348 C HN 0.387 nan 8.230 nan 0.000 0.491 349 L N -0.100 121.154 121.223 0.053 0.000 2.046 349 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 349 L C 2.620 179.389 176.870 -0.168 0.000 1.077 349 L CA 1.298 56.126 54.840 -0.019 0.000 0.747 349 L CB -0.834 41.258 42.059 0.055 0.000 0.896 349 L HN 0.206 nan 8.230 nan 0.000 0.432 350 V N 0.325 120.186 119.914 -0.089 0.000 2.255 350 V HA -0.346 3.773 4.120 -0.001 0.000 0.247 350 V C 2.827 178.836 176.094 -0.142 0.000 1.051 350 V CA 1.958 64.200 62.300 -0.098 0.000 1.018 350 V CB -1.004 30.797 31.823 -0.036 0.000 0.641 350 V HN 0.503 nan 8.190 nan 0.000 0.445 351 A N -0.476 122.284 122.820 -0.100 0.000 1.884 351 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 351 A C 2.273 179.742 177.584 -0.193 0.000 1.197 351 A CA 2.385 54.362 52.037 -0.100 0.000 0.637 351 A CB -0.736 18.238 19.000 -0.043 0.000 0.827 351 A HN 0.492 nan 8.150 nan 0.000 0.450 352 L N -1.107 119.949 121.223 -0.278 0.000 2.012 352 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 352 L C 3.108 179.526 176.870 -0.754 0.000 1.073 352 L CA 1.260 55.824 54.840 -0.459 0.000 0.748 352 L CB -0.422 41.333 42.059 -0.506 0.000 0.891 352 L HN 0.482 nan 8.230 nan 0.000 0.431 353 A N -0.127 122.108 122.820 -0.975 0.000 1.898 353 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 353 A C 2.144 179.555 177.584 -0.288 0.000 1.181 353 A CA 1.367 52.883 52.037 -0.869 0.000 0.620 353 A CB -0.639 17.893 19.000 -0.781 0.000 0.819 353 A HN 0.364 nan 8.150 nan 0.000 0.442 354 I N -0.296 120.151 120.570 -0.205 0.000 2.151 354 I HA -0.317 3.853 4.170 -0.001 0.000 0.243 354 I C 2.420 178.497 176.117 -0.067 0.000 1.080 354 I CA 1.392 62.642 61.300 -0.083 0.000 1.339 354 I CB -0.346 37.624 38.000 -0.051 0.000 1.039 354 I HN 0.308 nan 8.210 nan 0.000 0.409 355 L N 0.098 121.259 121.223 -0.103 0.000 2.017 355 L HA -0.276 4.063 4.340 -0.001 0.000 0.208 355 L C 2.245 179.100 176.870 -0.025 0.000 1.073 355 L CA 1.840 56.643 54.840 -0.062 0.000 0.745 355 L CB -0.661 41.354 42.059 -0.074 0.000 0.894 355 L HN 0.273 nan 8.230 nan 0.000 0.432 356 D N -0.603 119.783 120.400 -0.024 0.000 2.104 356 D HA -0.239 4.401 4.640 -0.001 0.000 0.194 356 D C 2.215 178.568 176.300 0.087 0.000 0.994 356 D CA 1.895 55.943 54.000 0.081 0.000 0.830 356 D CB 0.075 41.021 40.800 0.244 0.000 0.959 356 D HN 0.315 nan 8.370 nan 0.000 0.452 357 T N -1.892 112.706 114.554 0.073 0.000 2.867 357 T HA -0.094 4.255 4.350 -0.001 0.000 0.268 357 T C 1.807 176.533 174.700 0.044 0.000 1.057 357 T CA 1.091 63.232 62.100 0.068 0.000 1.136 357 T CB -0.541 68.369 68.868 0.069 0.000 0.874 357 T HN -0.004 nan 8.240 nan 0.000 0.466 358 V N 1.372 121.303 119.914 0.028 0.000 3.636 358 V HA 0.358 4.478 4.120 -0.001 0.000 0.279 358 V C 1.702 177.807 176.094 0.017 0.000 1.263 358 V CA 0.571 62.882 62.300 0.018 0.000 1.182 358 V CB -1.133 30.695 31.823 0.008 0.000 0.955 358 V HN 0.932 nan 8.190 nan 0.000 0.443 359 G N 0.454 109.271 108.800 0.028 0.000 2.248 359 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.263 359 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.263 359 G C -0.161 174.753 174.900 0.024 0.000 1.082 359 G CA 0.212 45.330 45.100 0.029 0.000 0.863 359 G HN 0.459 nan 8.290 nan 0.000 0.495 360 V N 1.055 120.982 119.914 0.022 0.000 2.443 360 V HA 0.691 4.810 4.120 -0.001 0.000 0.293 360 V C 0.808 176.916 176.094 0.022 0.000 1.021 360 V CA -0.257 62.052 62.300 0.014 0.000 0.848 360 V CB 1.659 33.480 31.823 -0.003 0.000 0.998 360 V HN 1.049 nan 8.190 nan 0.000 0.424 361 S N 5.556 121.275 115.700 0.032 0.000 2.614 361 S HA 0.386 4.855 4.470 -0.001 0.000 0.265 361 S C -1.766 172.836 174.600 0.004 0.000 1.303 361 S CA -0.908 57.316 58.200 0.041 0.000 1.000 361 S CB 1.296 64.530 63.200 0.057 0.000 0.935 361 S HN 0.502 nan 8.310 nan 0.000 0.551 362 P HA 0.035 nan 4.420 nan 0.000 0.223 362 P C 0.927 178.223 177.300 -0.006 0.000 1.151 362 P CA 0.863 63.911 63.100 -0.088 0.000 0.787 362 P CB 0.029 31.534 31.700 -0.325 0.000 0.788 363 E N -0.121 120.107 120.200 0.047 0.000 2.051 363 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 363 E C 2.112 178.734 176.600 0.037 0.000 0.991 363 E CA 1.347 57.790 56.400 0.071 0.000 0.799 363 E CB -0.771 28.981 29.700 0.087 0.000 0.748 363 E HN 0.362 nan 8.360 nan 0.000 0.449 364 Q N -0.449 119.367 119.800 0.027 0.000 2.170 364 Q HA -0.051 4.288 4.340 -0.001 0.000 0.203 364 Q C 1.959 177.963 176.000 0.007 0.000 0.976 364 Q CA 1.437 57.250 55.803 0.016 0.000 0.858 364 Q CB -0.056 28.690 28.738 0.014 0.000 0.907 364 Q HN 0.287 nan 8.270 nan 0.000 0.433 365 A N -0.130 122.690 122.820 0.000 0.000 2.044 365 A HA 0.023 4.342 4.320 -0.001 0.000 0.213 365 A C 2.100 179.682 177.584 -0.003 0.000 1.169 365 A CA 0.188 52.220 52.037 -0.008 0.000 0.724 365 A CB -0.272 18.713 19.000 -0.025 0.000 0.840 365 A HN 0.225 nan 8.150 nan 0.000 0.463 366 V N 1.030 120.945 119.914 0.002 0.000 2.490 366 V HA -0.116 4.003 4.120 -0.001 0.000 0.250 366 V C -0.631 175.468 176.094 0.009 0.000 1.061 366 V CA 2.456 64.759 62.300 0.004 0.000 1.064 366 V CB -0.605 31.227 31.823 0.015 0.000 0.670 366 V HN 0.412 nan 8.190 nan 0.000 0.461 367 P HA -0.028 nan 4.420 nan 0.000 0.217 367 P C 1.696 179.003 177.300 0.012 0.000 1.151 367 P CA 1.608 64.714 63.100 0.011 0.000 0.828 367 P CB -0.386 31.319 31.700 0.009 0.000 0.788 368 G N 0.231 109.038 108.800 0.010 0.000 2.433 368 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 368 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 368 G C 1.336 176.250 174.900 0.023 0.000 1.186 368 G CA 0.580 45.689 45.100 0.014 0.000 0.779 368 G HN 0.103 nan 8.290 nan 0.000 0.543 369 L N 0.658 121.893 121.223 0.021 0.000 2.079 369 L HA 0.003 4.343 4.340 -0.001 0.000 0.210 369 L C 2.730 179.623 176.870 0.039 0.000 1.081 369 L CA 1.548 56.407 54.840 0.033 0.000 0.752 369 L CB -1.132 40.943 42.059 0.025 0.000 0.896 369 L HN 0.255 nan 8.230 nan 0.000 0.433 370 R N -0.066 120.451 120.500 0.029 0.000 2.117 370 R HA -0.199 4.141 4.340 -0.001 0.000 0.243 370 R C 2.230 178.550 176.300 0.034 0.000 1.143 370 R CA 2.042 58.160 56.100 0.031 0.000 0.968 370 R CB -0.009 30.305 30.300 0.023 0.000 0.863 370 R HN 0.501 nan 8.270 nan 0.000 0.444 371 E N 0.492 120.711 120.200 0.031 0.000 2.166 371 E HA 0.048 4.397 4.350 -0.001 0.000 0.192 371 E C 0.718 177.342 176.600 0.039 0.000 0.967 371 E CA 0.508 56.927 56.400 0.031 0.000 0.840 371 E CB -0.390 29.325 29.700 0.025 0.000 0.795 371 E HN 0.375 nan 8.360 nan 0.000 0.470 372 I N 1.923 122.522 120.570 0.049 0.000 2.821 372 I HA 0.020 4.190 4.170 -0.001 0.000 0.294 372 I C 0.471 176.623 176.117 0.058 0.000 1.210 372 I CA 0.269 61.609 61.300 0.067 0.000 1.430 372 I CB 0.556 38.611 38.000 0.092 0.000 1.356 372 I HN 0.229 nan 8.210 nan 0.000 0.563 373 R N 7.583 128.113 120.500 0.050 0.000 2.337 373 R HA 0.442 4.781 4.340 -0.001 0.000 0.319 373 R C -1.603 174.683 176.300 -0.024 0.000 0.954 373 R CA -0.692 55.418 56.100 0.016 0.000 0.840 373 R CB 1.420 31.728 30.300 0.013 0.000 1.164 373 R HN 0.559 nan 8.270 nan 0.000 0.472 374 V N 6.540 126.401 119.914 -0.089 0.000 2.461 374 V HA 0.469 4.589 4.120 -0.001 0.000 0.275 374 V C -2.244 173.679 176.094 -0.286 0.000 1.047 374 V CA -2.092 60.017 62.300 -0.319 0.000 0.955 374 V CB 1.351 32.964 31.823 -0.351 0.000 0.988 374 V HN 0.706 nan 8.190 nan 0.000 0.471 375 P HA 0.307 nan 4.420 nan 0.000 0.276 375 P C 0.787 177.995 177.300 -0.154 0.000 1.230 375 P CA 1.121 64.109 63.100 -0.186 0.000 0.776 375 P CB 1.240 32.849 31.700 -0.151 0.000 0.888 376 G N 2.672 111.440 108.800 -0.053 0.000 2.175 376 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.265 376 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.265 376 G C 0.095 174.992 174.900 -0.004 0.000 0.979 376 G CA -0.099 45.001 45.100 0.001 0.000 0.663 376 G HN 0.596 nan 8.290 nan 0.000 0.533 377 R N -0.162 120.308 120.500 -0.049 0.000 2.275 377 R HA 0.498 4.837 4.340 -0.001 0.000 0.326 377 R C 0.755 177.066 176.300 0.018 0.000 0.973 377 R CA -1.421 54.670 56.100 -0.015 0.000 0.854 377 R CB 0.663 30.926 30.300 -0.061 0.000 1.156 377 R HN 0.343 nan 8.270 nan 0.000 0.487 378 L N 0.856 122.112 121.223 0.055 0.000 3.948 378 L HA -0.252 4.088 4.340 -0.001 0.000 0.453 378 L C 0.539 177.431 176.870 0.038 0.000 1.137 378 L CA 1.080 55.955 54.840 0.059 0.000 0.881 378 L CB -1.788 40.313 42.059 0.071 0.000 1.797 378 L HN 0.707 nan 8.230 nan 0.000 0.957 379 E N 1.252 121.468 120.200 0.026 0.000 2.159 379 E HA 0.105 4.455 4.350 -0.001 0.000 0.272 379 E C 0.511 177.130 176.600 0.032 0.000 1.138 379 E CA -0.247 56.162 56.400 0.015 0.000 0.915 379 E CB 0.393 30.094 29.700 0.001 0.000 1.028 379 E HN 0.499 nan 8.360 nan 0.000 0.423 380 Q N 4.604 124.421 119.800 0.028 0.000 2.279 380 Q HA 0.306 4.646 4.340 -0.001 0.000 0.256 380 Q C -0.224 175.788 176.000 0.021 0.000 0.937 380 Q CA -0.613 55.210 55.803 0.033 0.000 0.933 380 Q CB 1.206 29.962 28.738 0.030 0.000 1.189 380 Q HN 0.370 nan 8.270 nan 0.000 0.417 381 I N 3.543 124.128 120.570 0.024 0.000 2.331 381 I HA 0.097 4.267 4.170 -0.001 0.000 0.292 381 I C 0.430 176.537 176.117 -0.016 0.000 0.998 381 I CA -0.352 60.953 61.300 0.009 0.000 1.267 381 I CB 1.002 39.014 38.000 0.020 0.000 1.386 381 I HN 0.879 nan 8.210 nan 0.000 0.476 382 D N 5.364 125.744 120.400 -0.032 0.000 2.582 382 D HA 0.014 4.653 4.640 -0.001 0.000 0.246 382 D C 0.347 176.605 176.300 -0.069 0.000 1.334 382 D CA -0.499 53.462 54.000 -0.065 0.000 0.805 382 D CB 0.238 41.005 40.800 -0.055 0.000 1.087 382 D HN 0.356 nan 8.370 nan 0.000 0.499 383 R N 1.096 121.565 120.500 -0.052 0.000 2.486 383 R HA 0.280 4.620 4.340 -0.001 0.000 0.304 383 R C 1.268 177.522 176.300 -0.077 0.000 0.913 383 R CA 1.565 57.635 56.100 -0.050 0.000 1.124 383 R CB -0.129 30.151 30.300 -0.033 0.000 0.891 383 R HN 0.440 nan 8.270 nan 0.000 0.410 384 G N 0.477 109.234 108.800 -0.071 0.000 2.488 384 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.237 384 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.237 384 G C -0.644 174.185 174.900 -0.118 0.000 1.209 384 G CA 0.008 45.054 45.100 -0.090 0.000 0.929 384 G HN 0.922 nan 8.290 nan 0.000 0.578 385 Q N -2.592 117.108 119.800 -0.166 0.000 2.814 385 Q HA 0.949 5.288 4.340 -0.001 0.000 0.322 385 Q C 1.125 176.950 176.000 -0.292 0.000 0.861 385 Q CA 0.913 56.608 55.803 -0.180 0.000 0.773 385 Q CB 0.689 29.367 28.738 -0.100 0.000 1.423 385 Q HN 2.931 nan 8.270 nan 0.000 0.495 386 G N -1.129 107.542 108.800 -0.215 0.000 2.472 386 G HA2 0.262 4.221 3.960 -0.001 0.000 0.217 386 G HA3 0.262 4.221 3.960 -0.001 0.000 0.217 386 G C -0.000 174.872 174.900 -0.047 0.000 2.125 386 G CA 0.637 45.654 45.100 -0.138 0.000 1.637 386 G HN 2.006 nan 8.290 nan 0.000 0.548 387 F N 0.113 120.066 119.950 0.005 0.000 2.594 387 F HA 0.910 5.437 4.527 -0.001 0.000 0.335 387 F C -0.229 175.590 175.800 0.031 0.000 1.058 387 F CA -1.868 56.141 58.000 0.015 0.000 0.981 387 F CB 1.034 40.047 39.000 0.021 0.000 1.289 387 F HN 0.314 nan 8.300 nan 0.000 0.490 388 L N 2.393 123.790 121.223 0.292 0.000 2.315 388 L HA 0.613 4.952 4.340 -0.001 0.000 0.283 388 L C -0.263 176.770 176.870 0.271 0.000 1.089 388 L CA -0.820 54.130 54.840 0.184 0.000 0.833 388 L CB -0.154 41.988 42.059 0.138 0.000 1.170 388 L HN 0.868 nan 8.230 nan 0.000 0.442 389 A N 5.942 128.873 122.820 0.185 0.000 2.287 389 A HA 0.727 5.046 4.320 -0.001 0.000 0.317 389 A C -1.103 176.558 177.584 0.127 0.000 1.220 389 A CA -0.459 51.702 52.037 0.207 0.000 0.835 389 A CB 0.693 19.806 19.000 0.189 0.000 1.180 389 A HN 0.538 nan 8.150 nan 0.000 0.500 390 L N 2.344 123.643 121.223 0.128 0.000 2.370 390 L HA 0.632 4.972 4.340 -0.001 0.000 0.266 390 L C -0.394 176.534 176.870 0.096 0.000 1.002 390 L CA -0.456 54.442 54.840 0.097 0.000 0.818 390 L CB 2.279 44.393 42.059 0.091 0.000 1.325 390 L HN 0.432 nan 8.230 nan 0.000 0.418 391 V N 1.710 121.673 119.914 0.082 0.000 2.459 391 V HA 0.616 4.736 4.120 -0.001 0.000 0.295 391 V C -1.006 175.138 176.094 0.085 0.000 1.029 391 V CA -0.503 61.850 62.300 0.088 0.000 0.874 391 V CB 1.772 33.645 31.823 0.083 0.000 0.985 391 V HN 0.749 nan 8.190 nan 0.000 0.438 392 D N 1.490 121.949 120.400 0.098 0.000 2.756 392 D HA 0.305 4.944 4.640 -0.001 0.000 0.226 392 D C -0.182 176.196 176.300 0.131 0.000 1.186 392 D CA -0.512 53.548 54.000 0.100 0.000 0.845 392 D CB 1.790 42.636 40.800 0.076 0.000 1.610 392 D HN 0.384 nan 8.370 nan 0.000 0.465 393 Y N 2.526 122.794 120.300 -0.053 0.000 2.519 393 Y HA 0.382 4.932 4.550 -0.000 0.000 0.287 393 Y C 0.766 176.517 175.900 -0.248 0.000 1.128 393 Y CA 0.475 58.498 58.100 -0.129 0.000 1.282 393 Y CB -0.330 38.039 38.460 -0.151 0.000 1.027 393 Y HN 0.490 nan 8.280 nan 0.000 0.551 394 A N 1.623 124.346 122.820 -0.161 0.000 2.540 394 A HA -0.076 4.243 4.320 -0.001 0.000 0.268 394 A C 0.230 177.709 177.584 -0.175 0.000 1.061 394 A CA 1.019 52.938 52.037 -0.197 0.000 0.821 394 A CB -0.928 18.014 19.000 -0.097 0.000 0.970 394 A HN 0.673 nan 8.150 nan 0.000 0.524 395 H N 0.350 119.237 119.070 -0.305 0.000 3.078 395 H HA 0.506 5.061 4.556 -0.001 0.000 0.263 395 H C -0.297 174.901 175.328 -0.216 0.000 1.177 395 H CA -0.560 55.325 56.048 -0.271 0.000 1.128 395 H CB -0.344 29.205 29.762 -0.356 0.000 1.623 395 H HN 0.487 nan 8.280 nan 0.000 0.592 396 K N 0.761 121.158 120.400 -0.004 0.000 2.385 396 K HA 0.392 4.711 4.320 -0.001 0.000 0.248 396 K C -2.111 174.423 176.600 -0.109 0.000 0.955 396 K CA -2.201 54.007 56.287 -0.132 0.000 0.816 396 K CB 2.682 35.068 32.500 -0.189 0.000 1.250 396 K HN -0.231 nan 8.250 nan 0.000 0.434 397 P HA -0.254 nan 4.420 nan 0.000 0.216 397 P C 1.013 178.266 177.300 -0.079 0.000 1.153 397 P CA 1.755 64.797 63.100 -0.096 0.000 0.858 397 P CB 0.312 31.970 31.700 -0.070 0.000 0.789 398 E N -0.073 120.088 120.200 -0.065 0.000 2.051 398 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 398 E C 2.177 178.747 176.600 -0.049 0.000 0.991 398 E CA 1.639 58.011 56.400 -0.045 0.000 0.799 398 E CB -1.697 27.984 29.700 -0.032 0.000 0.748 398 E HN 0.242 nan 8.360 nan 0.000 0.449 399 A N 0.247 123.036 122.820 -0.053 0.000 1.892 399 A HA -0.034 4.286 4.320 -0.001 0.000 0.218 399 A C 2.508 180.052 177.584 -0.067 0.000 1.188 399 A CA 2.029 54.035 52.037 -0.053 0.000 0.631 399 A CB -0.606 18.382 19.000 -0.020 0.000 0.822 399 A HN 0.608 nan 8.150 nan 0.000 0.447 400 L N -0.085 121.077 121.223 -0.101 0.000 2.027 400 L HA -0.126 4.213 4.340 -0.001 0.000 0.206 400 L C 2.562 179.383 176.870 -0.082 0.000 1.074 400 L CA 2.529 57.286 54.840 -0.137 0.000 0.745 400 L CB -0.612 41.294 42.059 -0.255 0.000 0.898 400 L HN 0.551 nan 8.230 nan 0.000 0.433 401 R N -0.339 120.123 120.500 -0.063 0.000 2.094 401 R HA -0.207 4.132 4.340 -0.001 0.000 0.239 401 R C 2.355 178.659 176.300 0.007 0.000 1.137 401 R CA 2.311 58.395 56.100 -0.027 0.000 0.943 401 R CB -0.830 29.457 30.300 -0.021 0.000 0.850 401 R HN 0.622 nan 8.270 nan 0.000 0.433 402 S N -0.038 115.672 115.700 0.015 0.000 2.356 402 S HA -0.100 4.369 4.470 -0.001 0.000 0.223 402 S C 2.107 176.795 174.600 0.147 0.000 1.032 402 S CA 1.296 59.539 58.200 0.073 0.000 1.005 402 S CB -0.703 62.519 63.200 0.036 0.000 0.867 402 S HN 0.197 nan 8.310 nan 0.000 0.449 403 V N 2.660 122.644 119.914 0.116 0.000 2.255 403 V HA -0.146 3.973 4.120 -0.001 0.000 0.247 403 V C 2.662 178.809 176.094 0.087 0.000 1.051 403 V CA 1.917 64.306 62.300 0.147 0.000 1.018 403 V CB -1.035 30.840 31.823 0.087 0.000 0.641 403 V HN 0.472 nan 8.190 nan 0.000 0.445 404 L N -0.050 121.199 121.223 0.043 0.000 2.127 404 L HA -0.183 4.156 4.340 -0.001 0.000 0.211 404 L C 2.572 179.468 176.870 0.042 0.000 1.089 404 L CA 1.981 56.841 54.840 0.034 0.000 0.757 404 L CB -0.981 41.084 42.059 0.010 0.000 0.899 404 L HN 0.460 nan 8.230 nan 0.000 0.434 405 T N -1.507 113.074 114.554 0.045 0.000 2.770 405 T HA -0.126 4.224 4.350 -0.001 0.000 0.263 405 T C 1.823 176.538 174.700 0.024 0.000 1.039 405 T CA 1.720 63.842 62.100 0.037 0.000 1.142 405 T CB -0.421 68.470 68.868 0.038 0.000 0.868 405 T HN 0.477 nan 8.240 nan 0.000 0.435 406 T N 0.668 115.237 114.554 0.025 0.000 3.025 406 T HA 0.055 4.404 4.350 -0.001 0.000 0.270 406 T C 1.474 176.152 174.700 -0.037 0.000 1.126 406 T CA 0.638 62.707 62.100 -0.052 0.000 1.105 406 T CB -0.266 68.486 68.868 -0.194 0.000 0.884 406 T HN 0.114 nan 8.240 nan 0.000 0.522 407 L N 0.110 121.342 121.223 0.015 0.000 2.664 407 L HA 0.556 4.895 4.340 -0.001 0.000 0.233 407 L C 1.202 178.114 176.870 0.071 0.000 1.113 407 L CA -0.056 54.808 54.840 0.041 0.000 0.896 407 L CB -0.037 42.055 42.059 0.055 0.000 1.163 407 L HN 0.287 nan 8.230 nan 0.000 0.497 408 A N -0.941 121.917 122.820 0.063 0.000 2.301 408 A HA 0.490 4.809 4.320 -0.001 0.000 0.298 408 A C -0.791 176.864 177.584 0.118 0.000 1.185 408 A CA -0.034 52.056 52.037 0.087 0.000 0.830 408 A CB -0.181 18.857 19.000 0.064 0.000 1.112 408 A HN 0.403 nan 8.150 nan 0.000 0.508 409 H N 3.282 122.370 119.070 0.029 0.000 2.856 409 H HA 0.473 5.028 4.556 -0.001 0.000 0.355 409 H C -2.681 172.663 175.328 0.026 0.000 1.079 409 H CA -2.066 53.995 56.048 0.022 0.000 1.240 409 H CB 2.166 31.941 29.762 0.021 0.000 1.701 409 H HN 0.523 nan 8.280 nan 0.000 0.527 410 P HA -0.004 nan 4.420 nan 0.000 0.268 410 P C -0.362 177.005 177.300 0.112 0.000 1.208 410 P CA 0.359 63.584 63.100 0.208 0.000 0.777 410 P CB 0.600 32.403 31.700 0.171 0.000 0.875 411 D N -1.411 119.001 120.400 0.020 0.000 3.041 411 D HA -0.174 4.466 4.640 -0.001 0.000 0.220 411 D C 0.242 176.474 176.300 -0.113 0.000 1.157 411 D CA 1.276 55.240 54.000 -0.059 0.000 0.876 411 D CB -0.911 39.836 40.800 -0.089 0.000 1.107 411 D HN 0.589 nan 8.370 nan 0.000 0.422 412 R N -0.096 120.368 120.500 -0.061 0.000 2.535 412 R HA 0.492 4.832 4.340 -0.001 0.000 0.274 412 R C -0.985 175.333 176.300 0.030 0.000 1.090 412 R CA -0.649 55.425 56.100 -0.044 0.000 0.930 412 R CB 1.411 31.672 30.300 -0.066 0.000 1.223 412 R HN -0.150 nan 8.270 nan 0.000 0.441 413 R N 2.785 123.305 120.500 0.032 0.000 2.457 413 R HA 0.461 4.801 4.340 -0.001 0.000 0.284 413 R C -0.785 175.663 176.300 0.246 0.000 1.024 413 R CA -0.466 55.714 56.100 0.132 0.000 1.025 413 R CB 1.240 31.562 30.300 0.036 0.000 1.063 413 R HN 0.427 nan 8.270 nan 0.000 0.493 414 L N 2.070 123.478 121.223 0.309 0.000 2.372 414 L HA 0.553 4.892 4.340 -0.001 0.000 0.273 414 L C -0.992 175.964 176.870 0.142 0.000 0.989 414 L CA -0.602 54.376 54.840 0.230 0.000 0.841 414 L CB 1.635 43.775 42.059 0.135 0.000 1.225 414 L HN 0.760 nan 8.230 nan 0.000 0.414 415 A N 4.739 127.576 122.820 0.028 0.000 2.301 415 A HA 0.749 5.069 4.320 -0.001 0.000 0.312 415 A C -0.869 176.654 177.584 -0.100 0.000 1.182 415 A CA -0.404 51.437 52.037 -0.325 0.000 0.826 415 A CB 1.368 19.938 19.000 -0.718 0.000 1.134 415 A HN 0.422 nan 8.150 nan 0.000 0.501 416 V N 2.977 122.845 119.914 -0.076 0.000 2.487 416 V HA 0.546 4.665 4.120 -0.001 0.000 0.298 416 V C -0.310 175.839 176.094 0.093 0.000 1.028 416 V CA -0.586 61.747 62.300 0.055 0.000 0.860 416 V CB 1.394 33.291 31.823 0.124 0.000 0.991 416 V HN 0.953 nan 8.190 nan 0.000 0.427 417 V N 7.188 127.174 119.914 0.120 0.000 2.448 417 V HA 0.953 5.072 4.120 -0.001 0.000 0.295 417 V C -0.991 175.233 176.094 0.217 0.000 1.025 417 V CA -0.338 62.017 62.300 0.092 0.000 0.859 417 V CB 1.220 33.058 31.823 0.026 0.000 0.988 417 V HN 0.945 nan 8.190 nan 0.000 0.431 418 F N 3.790 123.721 119.950 -0.031 0.000 2.817 418 F HA 1.020 5.547 4.527 -0.002 0.000 0.317 418 F C -0.317 175.457 175.800 -0.044 0.000 1.168 418 F CA -0.123 57.860 58.000 -0.029 0.000 0.911 418 F CB 1.018 40.006 39.000 -0.021 0.000 1.337 418 F HN 0.930 nan 8.300 nan 0.000 0.464 419 G N -0.245 108.581 108.800 0.044 0.000 2.663 419 G HA2 0.830 4.789 3.960 -0.001 0.000 0.299 419 G HA3 0.830 4.789 3.960 -0.001 0.000 0.299 419 G C -2.299 172.675 174.900 0.124 0.000 1.372 419 G CA -0.522 44.528 45.100 -0.083 0.000 0.781 419 G HN 1.343 nan 8.290 nan 0.000 0.491 420 A N -1.243 121.601 122.820 0.041 0.000 2.384 420 A HA 0.906 5.226 4.320 -0.001 0.000 0.312 420 A C 0.273 177.859 177.584 0.004 0.000 1.113 420 A CA -0.023 52.044 52.037 0.051 0.000 0.779 420 A CB 1.565 20.598 19.000 0.055 0.000 1.307 420 A HN 1.805 nan 8.150 nan 0.000 0.436 421 G N 0.119 108.919 108.800 -0.000 0.000 2.372 421 G HA2 0.509 4.468 3.960 -0.001 0.000 0.283 421 G HA3 0.509 4.468 3.960 -0.001 0.000 0.283 421 G C 0.460 175.350 174.900 -0.017 0.000 1.177 421 G CA 0.252 45.345 45.100 -0.012 0.000 0.842 421 G HN 1.128 nan 8.290 nan 0.000 0.503 422 G N 0.858 109.647 108.800 -0.019 0.000 2.636 422 G HA2 0.349 4.308 3.960 -0.001 0.000 0.246 422 G HA3 0.349 4.308 3.960 -0.001 0.000 0.246 422 G C 0.390 175.282 174.900 -0.014 0.000 1.216 422 G CA 0.153 45.243 45.100 -0.017 0.000 0.854 422 G HN 0.700 nan 8.290 nan 0.000 0.572 423 D N -1.146 119.246 120.400 -0.012 0.000 2.978 423 D HA -0.158 4.481 4.640 -0.001 0.000 0.226 423 D C 1.383 177.676 176.300 -0.011 0.000 1.189 423 D CA 1.230 55.225 54.000 -0.009 0.000 0.810 423 D CB -0.189 40.607 40.800 -0.006 0.000 1.096 423 D HN 0.248 nan 8.370 nan 0.000 0.414 424 R N 0.542 121.032 120.500 -0.016 0.000 1.364 424 R HA 0.196 4.535 4.340 -0.001 0.000 0.097 424 R C 0.033 176.316 176.300 -0.027 0.000 0.962 424 R CA -0.325 55.761 56.100 -0.024 0.000 1.960 424 R CB -0.654 29.626 30.300 -0.034 0.000 1.053 424 R HN 0.013 nan 8.270 nan 0.000 0.714 425 D N 1.702 122.075 120.400 -0.044 0.000 2.416 425 D HA 0.126 4.766 4.640 -0.001 0.000 0.240 425 D C -1.643 174.637 176.300 -0.032 0.000 1.250 425 D CA -1.420 52.554 54.000 -0.044 0.000 0.967 425 D CB 0.656 41.411 40.800 -0.075 0.000 1.059 425 D HN 0.038 nan 8.370 nan 0.000 0.512 426 P HA -0.155 nan 4.420 nan 0.000 0.221 426 P C 0.818 178.108 177.300 -0.016 0.000 1.160 426 P CA 1.568 64.658 63.100 -0.016 0.000 0.933 426 P CB 0.227 31.921 31.700 -0.011 0.000 0.793 427 G N -1.625 107.165 108.800 -0.017 0.000 4.250 427 G HA2 0.116 4.075 3.960 -0.001 0.000 0.295 427 G HA3 0.116 4.075 3.960 -0.001 0.000 0.295 427 G C 0.701 175.591 174.900 -0.018 0.000 1.081 427 G CA -0.184 44.908 45.100 -0.014 0.000 0.854 427 G HN 0.338 nan 8.290 nan 0.000 0.524 428 K N -0.052 120.332 120.400 -0.026 0.000 2.439 428 K HA 0.087 4.406 4.320 -0.001 0.000 0.197 428 K C 2.044 178.639 176.600 -0.008 0.000 1.041 428 K CA 0.075 56.342 56.287 -0.033 0.000 0.970 428 K CB 0.080 32.543 32.500 -0.062 0.000 0.773 428 K HN 0.209 nan 8.250 nan 0.000 0.479 429 R N 1.139 121.644 120.500 0.008 0.000 2.064 429 R HA -0.036 4.304 4.340 -0.001 0.000 0.228 429 R C 2.648 178.979 176.300 0.051 0.000 1.144 429 R CA 1.423 57.547 56.100 0.040 0.000 0.932 429 R CB -0.815 29.500 30.300 0.024 0.000 0.833 429 R HN 0.299 nan 8.270 nan 0.000 0.429 430 A N 1.867 124.703 122.820 0.026 0.000 1.917 430 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 430 A C -0.376 177.224 177.584 0.027 0.000 1.182 430 A CA 1.372 53.423 52.037 0.024 0.000 0.633 430 A CB -1.470 17.535 19.000 0.009 0.000 0.819 430 A HN 0.209 nan 8.150 nan 0.000 0.448 431 P HA -0.178 nan 4.420 nan 0.000 0.215 431 P C 1.746 179.053 177.300 0.011 0.000 1.157 431 P CA 1.452 64.555 63.100 0.005 0.000 0.868 431 P CB -0.246 31.446 31.700 -0.012 0.000 0.788 432 M N -1.212 118.399 119.600 0.018 0.000 2.080 432 M HA -0.112 4.367 4.480 -0.001 0.000 0.260 432 M C 2.333 178.697 176.300 0.107 0.000 1.068 432 M CA 2.297 57.597 55.300 0.000 0.000 1.109 432 M CB -1.697 30.890 32.600 -0.021 0.000 1.342 432 M HN 0.012 nan 8.290 nan 0.000 0.405 433 G N 0.329 109.252 108.800 0.206 0.000 2.505 433 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.220 433 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.220 433 G C 1.729 176.692 174.900 0.105 0.000 1.145 433 G CA 2.060 47.278 45.100 0.197 0.000 0.761 433 G HN 0.520 nan 8.290 nan 0.000 0.571 434 R N 0.615 121.151 120.500 0.060 0.000 2.070 434 R HA 0.095 4.435 4.340 -0.001 0.000 0.232 434 R C 2.564 178.880 176.300 0.028 0.000 1.138 434 R CA 1.689 57.809 56.100 0.034 0.000 0.936 434 R CB -1.175 29.136 30.300 0.019 0.000 0.839 434 R HN 0.467 nan 8.270 nan 0.000 0.429 435 I N 0.974 121.551 120.570 0.012 0.000 2.194 435 I HA -0.280 3.890 4.170 -0.001 0.000 0.246 435 I C 3.090 179.207 176.117 0.000 0.000 1.093 435 I CA 1.606 62.901 61.300 -0.008 0.000 1.355 435 I CB -0.366 37.608 38.000 -0.043 0.000 1.046 435 I HN 0.506 nan 8.210 nan 0.000 0.413 436 A N 0.599 123.432 122.820 0.022 0.000 1.877 436 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 436 A C 2.552 180.176 177.584 0.066 0.000 1.186 436 A CA 1.906 53.983 52.037 0.067 0.000 0.620 436 A CB -0.991 18.148 19.000 0.231 0.000 0.822 436 A HN 0.431 nan 8.150 nan 0.000 0.443 437 A N -1.501 121.356 122.820 0.062 0.000 1.978 437 A HA 0.007 4.326 4.320 -0.001 0.000 0.220 437 A C 2.366 179.970 177.584 0.034 0.000 1.170 437 A CA 2.547 54.609 52.037 0.042 0.000 0.636 437 A CB -0.989 18.032 19.000 0.035 0.000 0.810 437 A HN 0.851 nan 8.150 nan 0.000 0.448 438 Q N -0.946 118.872 119.800 0.030 0.000 2.187 438 Q HA 0.322 4.661 4.340 -0.001 0.000 0.199 438 Q C 1.876 177.894 176.000 0.029 0.000 0.957 438 Q CA 1.514 57.333 55.803 0.025 0.000 0.857 438 Q CB -0.585 28.164 28.738 0.018 0.000 0.929 438 Q HN 0.672 nan 8.270 nan 0.000 0.453 439 L N -1.115 120.125 121.223 0.030 0.000 2.701 439 L HA 0.555 4.895 4.340 -0.001 0.000 0.238 439 L C 0.908 177.804 176.870 0.044 0.000 1.106 439 L CA 0.337 55.197 54.840 0.033 0.000 0.898 439 L CB 1.176 43.249 42.059 0.022 0.000 1.188 439 L HN 0.415 nan 8.230 nan 0.000 0.508 440 A N -0.744 122.102 122.820 0.044 0.000 2.322 440 A HA 0.457 4.776 4.320 -0.001 0.000 0.327 440 A C -0.296 177.321 177.584 0.056 0.000 1.134 440 A CA -0.394 51.671 52.037 0.047 0.000 0.831 440 A CB 0.824 19.841 19.000 0.029 0.000 1.288 440 A HN 0.144 nan 8.150 nan 0.000 0.472 441 D N -0.379 120.071 120.400 0.083 0.000 2.262 441 D HA 0.143 4.782 4.640 -0.001 0.000 0.212 441 D C 0.155 176.494 176.300 0.065 0.000 0.964 441 D CA 0.574 54.656 54.000 0.137 0.000 0.875 441 D CB 0.319 41.291 40.800 0.287 0.000 0.996 441 D HN 0.255 nan 8.370 nan 0.000 0.497 442 L N 1.623 122.756 121.223 -0.149 0.000 2.356 442 L HA 0.485 4.825 4.340 -0.001 0.000 0.277 442 L C -1.238 175.476 176.870 -0.260 0.000 0.996 442 L CA -0.942 53.683 54.840 -0.358 0.000 0.822 442 L CB 1.841 43.252 42.059 -1.080 0.000 1.256 442 L HN -0.117 nan 8.230 nan 0.000 0.413 443 V N 4.874 124.700 119.914 -0.147 0.000 2.513 443 V HA 0.643 4.763 4.120 -0.001 0.000 0.299 443 V C -0.950 175.056 176.094 -0.146 0.000 1.035 443 V CA -0.281 61.968 62.300 -0.086 0.000 0.889 443 V CB 1.948 33.794 31.823 0.037 0.000 0.988 443 V HN 0.454 nan 8.190 nan 0.000 0.440 444 V N 6.180 126.000 119.914 -0.158 0.000 2.409 444 V HA 0.466 4.585 4.120 -0.001 0.000 0.291 444 V C -0.054 175.860 176.094 -0.301 0.000 1.020 444 V CA -0.530 61.654 62.300 -0.194 0.000 0.848 444 V CB 1.600 33.344 31.823 -0.132 0.000 0.990 444 V HN 0.812 nan 8.190 nan 0.000 0.430 445 V N 5.130 124.851 119.914 -0.322 0.000 2.383 445 V HA 0.651 4.770 4.120 -0.001 0.000 0.275 445 V C 0.393 176.308 176.094 -0.299 0.000 1.036 445 V CA 0.129 62.170 62.300 -0.431 0.000 0.889 445 V CB 1.492 33.098 31.823 -0.362 0.000 0.985 445 V HN 1.059 nan 8.190 nan 0.000 0.459 446 T N 2.215 116.586 114.554 -0.305 0.000 2.716 446 T HA 0.399 4.748 4.350 -0.001 0.000 0.286 446 T C -1.244 173.348 174.700 -0.180 0.000 1.052 446 T CA -0.859 61.120 62.100 -0.202 0.000 1.024 446 T CB 1.440 70.208 68.868 -0.168 0.000 1.349 446 T HN 0.510 nan 8.240 nan 0.000 0.525 447 D N 1.836 122.141 120.400 -0.158 0.000 2.304 447 D HA 0.475 5.114 4.640 -0.001 0.000 0.250 447 D C -0.748 175.458 176.300 -0.158 0.000 1.107 447 D CA 0.078 53.992 54.000 -0.143 0.000 0.885 447 D CB 1.150 41.869 40.800 -0.135 0.000 1.192 447 D HN 0.589 nan 8.370 nan 0.000 0.436 448 D N 1.598 121.933 120.400 -0.107 0.000 2.346 448 D HA 0.101 4.741 4.640 -0.001 0.000 0.255 448 D C -0.823 175.443 176.300 -0.057 0.000 1.276 448 D CA -0.552 53.395 54.000 -0.087 0.000 0.941 448 D CB -0.201 40.585 40.800 -0.023 0.000 1.199 448 D HN 0.153 nan 8.370 nan 0.000 0.537 449 N N 3.878 122.535 118.700 -0.071 0.000 2.671 449 N HA -0.122 4.618 4.740 -0.001 0.000 0.261 449 N C -1.818 173.671 175.510 -0.036 0.000 1.053 449 N CA 0.541 53.565 53.050 -0.043 0.000 0.732 449 N CB -0.420 38.055 38.487 -0.019 0.000 0.887 449 N HN 0.496 nan 8.380 nan 0.000 0.546 450 P HA -0.148 nan 4.420 nan 0.000 0.225 450 P C 0.974 178.258 177.300 -0.026 0.000 1.148 450 P CA 1.004 64.082 63.100 -0.037 0.000 0.779 450 P CB 0.370 32.043 31.700 -0.044 0.000 0.780 451 R N -0.652 119.834 120.500 -0.022 0.000 3.974 451 R HA -0.194 4.146 4.340 -0.001 0.000 0.376 451 R C 0.572 176.864 176.300 -0.013 0.000 0.241 451 R CA 2.076 58.168 56.100 -0.014 0.000 1.218 451 R CB -2.260 28.033 30.300 -0.012 0.000 1.032 451 R HN 0.021 nan 8.270 nan 0.000 0.547 452 D N 1.304 121.698 120.400 -0.010 0.000 2.358 452 D HA 0.162 4.801 4.640 -0.001 0.000 0.224 452 D C -0.286 176.007 176.300 -0.011 0.000 1.123 452 D CA 0.307 54.302 54.000 -0.009 0.000 0.833 452 D CB 0.043 40.840 40.800 -0.005 0.000 0.946 452 D HN 0.212 nan 8.370 nan 0.000 0.505 453 E N 0.194 120.386 120.200 -0.014 0.000 2.312 453 E HA 0.140 4.489 4.350 -0.001 0.000 0.259 453 E C -0.340 176.248 176.600 -0.020 0.000 1.122 453 E CA -0.561 55.830 56.400 -0.016 0.000 0.922 453 E CB 0.910 30.599 29.700 -0.018 0.000 1.109 453 E HN -0.067 nan 8.360 nan 0.000 0.442 454 D N 1.150 121.537 120.400 -0.021 0.000 2.456 454 D HA 0.132 4.771 4.640 -0.001 0.000 0.219 454 D C -1.979 174.304 176.300 -0.030 0.000 1.126 454 D CA -2.123 51.863 54.000 -0.023 0.000 0.890 454 D CB 1.082 41.870 40.800 -0.020 0.000 1.025 454 D HN -0.040 nan 8.370 nan 0.000 0.511 455 P HA -0.163 nan 4.420 nan 0.000 0.217 455 P C 0.955 178.225 177.300 -0.050 0.000 1.148 455 P CA 1.219 64.292 63.100 -0.045 0.000 0.834 455 P CB 0.179 31.849 31.700 -0.049 0.000 0.783 456 T N -1.646 112.882 114.554 -0.044 0.000 3.023 456 T HA 0.059 4.408 4.350 -0.001 0.000 0.266 456 T C 1.856 176.531 174.700 -0.042 0.000 1.093 456 T CA 1.012 63.084 62.100 -0.047 0.000 1.129 456 T CB -0.619 68.225 68.868 -0.040 0.000 0.899 456 T HN 0.063 nan 8.240 nan 0.000 0.491 457 A N 2.034 124.833 122.820 -0.035 0.000 1.845 457 A HA -0.033 4.287 4.320 -0.001 0.000 0.215 457 A C 2.216 179.779 177.584 -0.034 0.000 1.195 457 A CA 1.296 53.315 52.037 -0.030 0.000 0.616 457 A CB -0.904 18.081 19.000 -0.024 0.000 0.832 457 A HN 0.476 nan 8.150 nan 0.000 0.443 458 I N -0.636 119.911 120.570 -0.037 0.000 2.113 458 I HA -0.362 3.807 4.170 -0.001 0.000 0.242 458 I C 2.794 178.881 176.117 -0.051 0.000 1.064 458 I CA 2.005 63.282 61.300 -0.038 0.000 1.320 458 I CB -0.465 37.510 38.000 -0.041 0.000 1.028 458 I HN 0.290 nan 8.210 nan 0.000 0.406 459 R N 0.363 120.821 120.500 -0.070 0.000 2.096 459 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 459 R C 2.734 178.987 176.300 -0.078 0.000 1.127 459 R CA 1.717 57.759 56.100 -0.097 0.000 0.968 459 R CB -0.586 29.647 30.300 -0.111 0.000 0.861 459 R HN 0.432 nan 8.270 nan 0.000 0.440 460 R N 1.406 121.872 120.500 -0.058 0.000 2.148 460 R HA -0.126 4.213 4.340 -0.001 0.000 0.227 460 R C 1.751 178.030 176.300 -0.034 0.000 1.103 460 R CA 1.739 57.811 56.100 -0.045 0.000 0.983 460 R CB -0.817 29.460 30.300 -0.037 0.000 0.874 460 R HN 0.444 nan 8.270 nan 0.000 0.451 461 E N -0.033 120.149 120.200 -0.030 0.000 2.076 461 E HA 0.010 4.360 4.350 -0.001 0.000 0.190 461 E C 2.012 178.607 176.600 -0.008 0.000 0.979 461 E CA 0.956 57.346 56.400 -0.017 0.000 0.807 461 E CB -0.090 29.603 29.700 -0.012 0.000 0.761 461 E HN 0.640 nan 8.360 nan 0.000 0.454 462 I N 0.866 121.428 120.570 -0.013 0.000 2.163 462 I HA -0.304 3.865 4.170 -0.001 0.000 0.243 462 I C 2.204 178.316 176.117 -0.008 0.000 1.085 462 I CA 1.049 62.352 61.300 0.006 0.000 1.347 462 I CB -0.389 37.590 38.000 -0.034 0.000 1.044 462 I HN 0.147 nan 8.210 nan 0.000 0.408 463 L N 0.835 122.033 121.223 -0.043 0.000 2.265 463 L HA -0.167 4.172 4.340 -0.001 0.000 0.215 463 L C 2.853 179.711 176.870 -0.021 0.000 1.117 463 L CA 0.976 55.791 54.840 -0.040 0.000 0.782 463 L CB -0.793 41.231 42.059 -0.058 0.000 0.914 463 L HN 0.250 nan 8.230 nan 0.000 0.441 464 A N 0.662 123.473 122.820 -0.015 0.000 1.877 464 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 464 A C 2.455 180.040 177.584 0.001 0.000 1.186 464 A CA 1.758 53.791 52.037 -0.008 0.000 0.620 464 A CB -1.277 17.719 19.000 -0.007 0.000 0.822 464 A HN 0.421 nan 8.150 nan 0.000 0.443 465 G N -0.691 108.115 108.800 0.010 0.000 2.448 465 G HA2 0.030 3.990 3.960 -0.001 0.000 0.219 465 G HA3 0.030 3.990 3.960 -0.001 0.000 0.219 465 G C 1.607 176.521 174.900 0.022 0.000 1.127 465 G CA 1.281 46.394 45.100 0.021 0.000 0.766 465 G HN 0.820 nan 8.290 nan 0.000 0.552 466 A N 1.091 123.921 122.820 0.017 0.000 2.015 466 A HA 0.325 4.644 4.320 -0.001 0.000 0.219 466 A C 2.780 180.368 177.584 0.007 0.000 1.163 466 A CA 1.847 53.892 52.037 0.013 0.000 0.646 466 A CB -0.632 18.366 19.000 -0.002 0.000 0.806 466 A HN 0.788 nan 8.150 nan 0.000 0.448 467 A N 1.332 124.153 122.820 0.003 0.000 1.896 467 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 467 A C 1.507 179.094 177.584 0.004 0.000 1.206 467 A CA 2.010 54.047 52.037 0.001 0.000 0.647 467 A CB -0.920 18.079 19.000 -0.001 0.000 0.828 467 A HN 0.783 nan 8.150 nan 0.000 0.455 468 E N 0.574 120.778 120.200 0.007 0.000 2.902 468 E HA 0.185 4.535 4.350 -0.001 0.000 0.231 468 E C 0.015 176.621 176.600 0.011 0.000 1.422 468 E CA 0.272 56.677 56.400 0.008 0.000 1.418 468 E CB -1.104 28.602 29.700 0.009 0.000 1.323 468 E HN 0.138 nan 8.360 nan 0.000 0.428 469 V N 1.833 121.752 119.914 0.009 0.000 3.199 469 V HA -0.066 4.053 4.120 -0.001 0.000 0.327 469 V C 2.001 178.102 176.094 0.013 0.000 1.237 469 V CA 1.093 63.400 62.300 0.011 0.000 1.415 469 V CB -1.131 30.697 31.823 0.007 0.000 1.084 469 V HN 0.743 nan 8.190 nan 0.000 0.416 470 G N 0.464 109.272 108.800 0.013 0.000 2.549 470 G HA2 0.043 4.002 3.960 -0.001 0.000 0.222 470 G HA3 0.043 4.002 3.960 -0.001 0.000 0.222 470 G C 1.073 175.982 174.900 0.016 0.000 1.100 470 G CA 1.148 46.256 45.100 0.013 0.000 0.739 470 G HN 0.777 nan 8.290 nan 0.000 0.577 471 G N -0.530 108.282 108.800 0.019 0.000 3.594 471 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.107 471 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.107 471 G C 0.709 175.627 174.900 0.030 0.000 1.307 471 G CA 0.866 45.980 45.100 0.023 0.000 1.089 471 G HN 0.166 nan 8.290 nan 0.000 0.364 472 D N 1.679 122.099 120.400 0.033 0.000 2.177 472 D HA 0.071 4.711 4.640 -0.001 0.000 0.189 472 D C 1.887 178.217 176.300 0.051 0.000 1.002 472 D CA 2.045 56.070 54.000 0.043 0.000 0.845 472 D CB -0.460 40.365 40.800 0.042 0.000 0.960 472 D HN 0.681 nan 8.370 nan 0.000 0.447 473 A N -0.815 122.031 122.820 0.042 0.000 2.364 473 A HA 0.306 4.626 4.320 -0.001 0.000 0.258 473 A C 0.114 177.720 177.584 0.037 0.000 1.131 473 A CA 0.192 52.253 52.037 0.040 0.000 0.800 473 A CB 0.289 19.305 19.000 0.028 0.000 1.086 473 A HN 0.398 nan 8.150 nan 0.000 0.508 474 Q N -0.681 119.133 119.800 0.023 0.000 2.444 474 Q HA 0.483 4.822 4.340 -0.001 0.000 0.239 474 Q C -1.594 174.390 176.000 -0.028 0.000 0.853 474 Q CA -0.494 55.321 55.803 0.019 0.000 0.856 474 Q CB 1.608 30.386 28.738 0.067 0.000 1.413 474 Q HN 1.281 nan 8.270 nan 0.000 0.437 475 V N 1.858 121.751 119.914 -0.035 0.000 2.628 475 V HA 0.980 5.100 4.120 -0.001 0.000 0.306 475 V C -1.517 174.524 176.094 -0.087 0.000 1.045 475 V CA -0.351 61.909 62.300 -0.067 0.000 0.905 475 V CB 1.772 33.564 31.823 -0.052 0.000 0.997 475 V HN 0.558 nan 8.190 nan 0.000 0.436 476 V N 3.724 123.561 119.914 -0.129 0.000 3.087 476 V HA 0.620 4.739 4.120 -0.001 0.000 0.306 476 V C -0.942 175.048 176.094 -0.173 0.000 1.187 476 V CA -0.386 61.822 62.300 -0.152 0.000 0.999 476 V CB 2.171 33.873 31.823 -0.202 0.000 1.049 476 V HN 1.207 nan 8.190 nan 0.000 0.431 477 E N 4.903 125.010 120.200 -0.156 0.000 2.113 477 E HA 0.550 4.899 4.350 -0.001 0.000 0.273 477 E C -1.373 175.138 176.600 -0.149 0.000 0.924 477 E CA -0.522 55.786 56.400 -0.153 0.000 0.764 477 E CB 1.176 30.803 29.700 -0.122 0.000 1.104 477 E HN 0.653 nan 8.360 nan 0.000 0.406 478 I N 4.684 125.162 120.570 -0.154 0.000 2.420 478 I HA 0.246 4.416 4.170 -0.001 0.000 0.282 478 I C 0.916 176.969 176.117 -0.108 0.000 1.019 478 I CA -0.395 60.831 61.300 -0.124 0.000 1.130 478 I CB 1.669 39.595 38.000 -0.122 0.000 1.262 478 I HN 0.655 nan 8.210 nan 0.000 0.454 479 A N 3.973 126.738 122.820 -0.091 0.000 1.902 479 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 479 A C 1.134 178.668 177.584 -0.083 0.000 1.181 479 A CA 1.241 53.225 52.037 -0.088 0.000 0.623 479 A CB -0.198 18.760 19.000 -0.070 0.000 0.818 479 A HN 0.710 nan 8.150 nan 0.000 0.443 480 D N -0.838 119.528 120.400 -0.056 0.000 2.343 480 D HA 0.131 4.771 4.640 -0.001 0.000 0.255 480 D C 1.149 177.429 176.300 -0.033 0.000 1.187 480 D CA -0.147 53.832 54.000 -0.035 0.000 0.875 480 D CB 0.672 41.474 40.800 0.003 0.000 1.136 480 D HN 0.274 nan 8.370 nan 0.000 0.469 481 R N 3.333 123.783 120.500 -0.083 0.000 2.081 481 R HA -0.181 4.159 4.340 -0.001 0.000 0.235 481 R C 2.233 178.623 176.300 0.150 0.000 1.131 481 R CA 1.685 57.727 56.100 -0.096 0.000 0.960 481 R CB 0.068 30.070 30.300 -0.497 0.000 0.856 481 R HN 0.506 nan 8.270 nan 0.000 0.436 482 R N 0.246 120.924 120.500 0.297 0.000 2.081 482 R HA -0.122 4.218 4.340 -0.001 0.000 0.235 482 R C 1.294 177.685 176.300 0.152 0.000 1.131 482 R CA 2.178 58.446 56.100 0.280 0.000 0.960 482 R CB -0.455 29.985 30.300 0.232 0.000 0.856 482 R HN 0.132 nan 8.270 nan 0.000 0.436 483 D N 0.756 121.220 120.400 0.105 0.000 2.178 483 D HA -0.065 4.574 4.640 -0.001 0.000 0.201 483 D C 1.887 178.236 176.300 0.082 0.000 0.980 483 D CA 1.605 55.652 54.000 0.079 0.000 0.842 483 D CB -0.236 40.591 40.800 0.045 0.000 0.948 483 D HN 0.477 nan 8.370 nan 0.000 0.472 484 A N 0.671 123.525 122.820 0.058 0.000 1.877 484 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 484 A C 2.329 179.969 177.584 0.094 0.000 1.186 484 A CA 0.891 52.953 52.037 0.043 0.000 0.620 484 A CB -0.717 18.277 19.000 -0.010 0.000 0.822 484 A HN 0.199 nan 8.150 nan 0.000 0.443 485 I N -0.919 119.720 120.570 0.115 0.000 2.286 485 I HA -0.274 3.896 4.170 -0.001 0.000 0.248 485 I C 2.754 178.944 176.117 0.120 0.000 1.115 485 I CA 1.411 62.787 61.300 0.126 0.000 1.392 485 I CB -0.321 37.774 38.000 0.158 0.000 1.065 485 I HN 0.301 nan 8.210 nan 0.000 0.418 486 R N -0.602 119.972 120.500 0.123 0.000 2.115 486 R HA -0.158 4.181 4.340 -0.001 0.000 0.226 486 R C 2.323 178.692 176.300 0.114 0.000 1.100 486 R CA 1.131 57.298 56.100 0.112 0.000 0.980 486 R CB -0.478 29.882 30.300 0.101 0.000 0.875 486 R HN 0.413 nan 8.270 nan 0.000 0.445 487 H N 0.944 120.042 119.070 0.047 0.000 2.321 487 H HA -0.018 4.537 4.556 -0.001 0.000 0.300 487 H C 1.900 177.265 175.328 0.062 0.000 1.087 487 H CA 1.937 58.010 56.048 0.042 0.000 1.319 487 H CB -0.090 29.673 29.762 0.002 0.000 1.379 487 H HN 0.196 nan 8.280 nan 0.000 0.501 488 A N 0.124 122.937 122.820 -0.012 0.000 1.902 488 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 488 A C 2.703 180.293 177.584 0.011 0.000 1.181 488 A CA 1.674 53.667 52.037 -0.073 0.000 0.623 488 A CB -0.971 18.007 19.000 -0.036 0.000 0.818 488 A HN 0.357 nan 8.150 nan 0.000 0.443 489 V N -0.297 119.644 119.914 0.045 0.000 2.343 489 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 489 V C 2.900 179.001 176.094 0.011 0.000 1.051 489 V CA 1.898 64.248 62.300 0.084 0.000 1.036 489 V CB -0.968 30.973 31.823 0.195 0.000 0.654 489 V HN 0.601 nan 8.190 nan 0.000 0.451 490 A N -1.698 121.123 122.820 0.003 0.000 2.206 490 A HA -0.172 4.147 4.320 -0.001 0.000 0.211 490 A C 1.859 179.404 177.584 -0.065 0.000 1.158 490 A CA 0.973 52.999 52.037 -0.018 0.000 0.761 490 A CB -0.708 18.289 19.000 -0.005 0.000 0.801 490 A HN 0.844 nan 8.150 nan 0.000 0.473 491 W N 0.158 121.249 121.300 -0.348 0.000 2.872 491 W HA 0.521 5.180 4.660 -0.001 0.000 0.266 491 W C 0.766 177.100 176.519 -0.307 0.000 1.276 491 W CA 0.341 57.486 57.345 -0.334 0.000 1.471 491 W CB 0.024 29.232 29.460 -0.420 0.000 1.071 491 W HN 0.265 nan 8.180 nan 0.000 0.619 492 A N 2.072 124.694 122.820 -0.330 0.000 2.425 492 A HA 0.635 4.954 4.320 -0.001 0.000 0.249 492 A C 0.247 177.439 177.584 -0.653 0.000 1.084 492 A CA 0.221 51.800 52.037 -0.763 0.000 0.781 492 A CB 0.011 18.201 19.000 -1.351 0.000 1.019 492 A HN 0.424 nan 8.150 nan 0.000 0.490 493 R N 2.886 123.059 120.500 -0.545 0.000 2.732 493 R HA 0.755 5.094 4.340 -0.001 0.000 0.278 493 R C -2.971 173.292 176.300 -0.063 0.000 0.976 493 R CA -2.133 53.813 56.100 -0.257 0.000 0.963 493 R CB -0.647 29.487 30.300 -0.276 0.000 1.150 493 R HN 0.707 nan 8.270 nan 0.000 0.478 494 P HA -0.065 nan 4.420 nan 0.000 0.257 494 P C 0.855 178.194 177.300 0.064 0.000 1.153 494 P CA 2.187 65.358 63.100 0.117 0.000 0.762 494 P CB 0.306 32.034 31.700 0.046 0.000 0.743 495 G N 2.390 111.260 108.800 0.117 0.000 2.213 495 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.236 495 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.236 495 G C 0.066 175.002 174.900 0.060 0.000 0.991 495 G CA -0.102 45.035 45.100 0.061 0.000 0.629 495 G HN 0.494 nan 8.290 nan 0.000 0.517 496 D N -0.285 120.147 120.400 0.055 0.000 2.369 496 D HA 0.487 5.127 4.640 -0.001 0.000 0.241 496 D C 0.615 177.008 176.300 0.156 0.000 1.271 496 D CA 0.595 54.621 54.000 0.042 0.000 0.942 496 D CB 1.689 42.419 40.800 -0.116 0.000 1.129 496 D HN 0.858 nan 8.370 nan 0.000 0.476 497 V N -0.604 119.416 119.914 0.177 0.000 2.656 497 V HA 0.587 4.706 4.120 -0.001 0.000 0.307 497 V C -0.919 175.303 176.094 0.213 0.000 1.051 497 V CA -0.768 61.655 62.300 0.205 0.000 0.893 497 V CB 1.801 33.717 31.823 0.156 0.000 0.999 497 V HN 0.372 nan 8.190 nan 0.000 0.426 498 V N 5.629 125.677 119.914 0.224 0.000 2.448 498 V HA 0.801 4.921 4.120 -0.001 0.000 0.295 498 V C -1.012 175.171 176.094 0.147 0.000 1.025 498 V CA -0.630 61.772 62.300 0.169 0.000 0.859 498 V CB 1.324 33.244 31.823 0.162 0.000 0.988 498 V HN 1.051 nan 8.190 nan 0.000 0.431 499 L N 6.813 128.100 121.223 0.106 0.000 2.325 499 L HA 0.651 4.990 4.340 -0.001 0.000 0.281 499 L C -0.561 176.372 176.870 0.104 0.000 1.004 499 L CA -0.435 54.466 54.840 0.102 0.000 0.823 499 L CB 1.525 43.635 42.059 0.085 0.000 1.236 499 L HN 0.664 nan 8.230 nan 0.000 0.415 500 I N 5.463 126.101 120.570 0.114 0.000 2.287 500 I HA 0.458 4.627 4.170 -0.001 0.000 0.290 500 I C 0.555 176.750 176.117 0.130 0.000 1.069 500 I CA -0.258 61.118 61.300 0.127 0.000 1.237 500 I CB 0.278 38.360 38.000 0.137 0.000 1.418 500 I HN 0.681 nan 8.210 nan 0.000 0.481 501 A N 3.953 126.862 122.820 0.149 0.000 2.282 501 A HA 0.767 5.086 4.320 -0.001 0.000 0.319 501 A C 1.056 178.719 177.584 0.132 0.000 1.121 501 A CA 0.196 52.302 52.037 0.114 0.000 0.836 501 A CB 1.016 20.044 19.000 0.047 0.000 1.146 501 A HN 1.158 nan 8.150 nan 0.000 0.494 502 G N -0.214 108.623 108.800 0.062 0.000 2.176 502 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.253 502 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.253 502 G C 0.796 175.744 174.900 0.080 0.000 0.979 502 G CA 0.891 46.020 45.100 0.049 0.000 0.641 502 G HN 0.725 nan 8.290 nan 0.000 0.530 503 K N -0.578 119.908 120.400 0.143 0.000 2.325 503 K HA 0.409 4.728 4.320 -0.001 0.000 0.203 503 K C 2.052 178.838 176.600 0.311 0.000 1.128 503 K CA 0.878 57.279 56.287 0.189 0.000 0.931 503 K CB 0.413 32.999 32.500 0.145 0.000 1.125 503 K HN 1.149 nan 8.250 nan 0.000 0.487 504 G N 2.534 111.497 108.800 0.272 0.000 2.596 504 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.304 504 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.304 504 G C 0.657 175.639 174.900 0.137 0.000 1.189 504 G CA 0.899 46.148 45.100 0.248 0.000 0.986 504 G HN 0.577 nan 8.290 nan 0.000 0.548 505 H N 1.993 120.996 119.070 -0.112 0.000 2.535 505 H HA 0.288 4.843 4.556 -0.001 0.000 0.273 505 H C 1.206 176.513 175.328 -0.036 0.000 0.983 505 H CA 1.388 57.373 56.048 -0.106 0.000 1.238 505 H CB -0.297 29.346 29.762 -0.198 0.000 1.412 505 H HN 0.584 nan 8.280 nan 0.000 0.562 506 E N 2.375 122.231 120.200 -0.573 0.000 2.418 506 E HA 0.159 4.509 4.350 -0.001 0.000 0.261 506 E C -0.045 176.492 176.600 -0.105 0.000 1.070 506 E CA 0.416 56.569 56.400 -0.411 0.000 0.931 506 E CB 0.727 30.312 29.700 -0.193 0.000 0.954 506 E HN 0.565 nan 8.360 nan 0.000 0.439 507 T N -0.149 114.376 114.554 -0.049 0.000 2.864 507 T HA 0.778 5.127 4.350 -0.001 0.000 0.289 507 T C 0.255 174.998 174.700 0.072 0.000 1.082 507 T CA -0.542 61.585 62.100 0.045 0.000 1.009 507 T CB 1.150 70.034 68.868 0.026 0.000 1.234 507 T HN 0.991 nan 8.240 nan 0.000 0.526 508 G N 0.645 109.527 108.800 0.136 0.000 2.757 508 G HA2 0.022 3.981 3.960 -0.001 0.000 0.686 508 G HA3 0.022 3.981 3.960 -0.001 0.000 0.686 508 G C -1.002 173.955 174.900 0.095 0.000 1.452 508 G CA -0.840 44.336 45.100 0.127 0.000 0.922 508 G HN 0.811 nan 8.290 nan 0.000 0.588 509 Q N 0.282 120.121 119.800 0.066 0.000 2.347 509 Q HA 0.662 5.002 4.340 -0.001 0.000 0.262 509 Q C 0.731 176.726 176.000 -0.009 0.000 0.980 509 Q CA 0.003 55.788 55.803 -0.030 0.000 0.867 509 Q CB 1.527 30.210 28.738 -0.090 0.000 1.242 509 Q HN 1.169 nan 8.270 nan 0.000 0.453 510 R N 0.570 121.060 120.500 -0.016 0.000 2.221 510 R HA 0.660 5.000 4.340 -0.001 0.000 0.327 510 R C 0.465 176.755 176.300 -0.017 0.000 1.033 510 R CA -0.055 56.040 56.100 -0.009 0.000 0.887 510 R CB 0.640 30.938 30.300 -0.004 0.000 1.057 510 R HN 0.717 nan 8.270 nan 0.000 0.455 511 G N 0.417 109.210 108.800 -0.012 0.000 3.948 511 G HA2 0.537 4.497 3.960 -0.001 0.000 0.300 511 G HA3 0.537 4.497 3.960 -0.001 0.000 0.300 511 G C 0.885 175.779 174.900 -0.009 0.000 1.318 511 G CA 0.534 45.625 45.100 -0.015 0.000 0.768 511 G HN 1.805 nan 8.290 nan 0.000 0.504 512 G N 0.776 109.572 108.800 -0.006 0.000 5.426 512 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.297 512 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.297 512 G C 1.136 176.036 174.900 -0.001 0.000 1.422 512 G CA 0.489 45.587 45.100 -0.004 0.000 0.938 512 G HN 1.729 nan 8.290 nan 0.000 0.754 513 G N 0.798 109.598 108.800 0.000 0.000 4.433 513 G HA2 0.681 4.640 3.960 -0.001 0.000 0.304 513 G HA3 0.681 4.640 3.960 -0.001 0.000 0.304 513 G C 0.076 174.979 174.900 0.005 0.000 1.254 513 G CA 0.771 45.873 45.100 0.002 0.000 0.999 513 G HN 1.571 nan 8.290 nan 0.000 0.576 514 R N -1.674 118.830 120.500 0.006 0.000 5.208 514 R HA 0.075 4.414 4.340 -0.001 0.000 0.288 514 R C -1.469 174.838 176.300 0.011 0.000 0.911 514 R CA -0.917 55.188 56.100 0.010 0.000 1.439 514 R CB -0.362 29.945 30.300 0.012 0.000 1.266 514 R HN 0.236 nan 8.270 nan 0.000 0.620 515 V N 4.092 124.014 119.914 0.014 0.000 2.400 515 V HA 0.215 4.334 4.120 -0.001 0.000 0.263 515 V C 0.216 176.328 176.094 0.030 0.000 1.026 515 V CA 0.114 62.426 62.300 0.019 0.000 1.077 515 V CB 0.159 31.993 31.823 0.019 0.000 1.054 515 V HN 0.697 nan 8.190 nan 0.000 0.477 516 R N 7.908 128.431 120.500 0.039 0.000 2.390 516 R HA 0.390 4.729 4.340 -0.001 0.000 0.291 516 R C -2.390 173.969 176.300 0.099 0.000 1.070 516 R CA -1.769 54.367 56.100 0.060 0.000 1.014 516 R CB 1.341 31.678 30.300 0.062 0.000 1.007 516 R HN 0.596 nan 8.270 nan 0.000 0.466 517 P HA 0.103 nan 4.420 nan 0.000 0.271 517 P C -1.009 176.400 177.300 0.180 0.000 1.216 517 P CA 0.269 63.428 63.100 0.099 0.000 0.771 517 P CB 0.441 32.168 31.700 0.045 0.000 0.864 518 F N 1.799 121.750 119.950 0.001 0.000 2.635 518 F HA 0.324 4.852 4.527 0.000 0.000 0.314 518 F C -1.519 174.283 175.800 0.002 0.000 1.119 518 F CA -0.499 57.503 58.000 0.004 0.000 1.000 518 F CB 2.078 41.082 39.000 0.006 0.000 1.278 518 F HN 0.158 nan 8.300 nan 0.000 0.446 519 D N 4.305 124.514 120.400 -0.319 0.000 2.686 519 D HA 0.218 4.858 4.640 -0.001 0.000 0.249 519 D C -0.036 176.166 176.300 -0.163 0.000 1.260 519 D CA -0.250 53.690 54.000 -0.101 0.000 0.910 519 D CB 1.779 42.526 40.800 -0.089 0.000 1.323 519 D HN 0.520 nan 8.370 nan 0.000 0.561 520 D N 2.387 122.848 120.400 0.102 0.000 2.144 520 D HA -0.110 4.529 4.640 -0.001 0.000 0.199 520 D C 1.709 178.038 176.300 0.048 0.000 0.984 520 D CA 0.913 55.000 54.000 0.146 0.000 0.834 520 D CB 0.421 41.354 40.800 0.221 0.000 0.955 520 D HN 0.317 nan 8.370 nan 0.000 0.465 521 R N 0.194 120.710 120.500 0.027 0.000 2.091 521 R HA -0.082 4.258 4.340 -0.001 0.000 0.238 521 R C 2.391 178.680 176.300 -0.018 0.000 1.136 521 R CA 0.550 56.658 56.100 0.012 0.000 0.959 521 R CB -0.878 29.426 30.300 0.008 0.000 0.856 521 R HN 0.117 nan 8.270 nan 0.000 0.437 522 V N 0.707 120.584 119.914 -0.061 0.000 2.379 522 V HA -0.156 3.964 4.120 -0.001 0.000 0.245 522 V C 2.027 178.058 176.094 -0.104 0.000 1.044 522 V CA 1.560 63.808 62.300 -0.086 0.000 1.036 522 V CB -0.397 31.355 31.823 -0.118 0.000 0.664 522 V HN 0.201 nan 8.190 nan 0.000 0.453 523 E N 0.142 120.242 120.200 -0.166 0.000 2.031 523 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 523 E C 2.075 178.665 176.600 -0.016 0.000 0.994 523 E CA 1.062 57.378 56.400 -0.139 0.000 0.800 523 E CB -0.754 28.818 29.700 -0.213 0.000 0.752 523 E HN 0.392 nan 8.360 nan 0.000 0.447 524 L N 0.934 122.171 121.223 0.023 0.000 1.990 524 L HA -0.184 4.156 4.340 -0.001 0.000 0.213 524 L C 2.164 179.060 176.870 0.045 0.000 1.072 524 L CA 2.371 57.249 54.840 0.062 0.000 0.755 524 L CB -1.038 41.067 42.059 0.078 0.000 0.889 524 L HN 0.106 nan 8.230 nan 0.000 0.432 525 A N -0.871 121.959 122.820 0.016 0.000 1.902 525 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 525 A C 2.435 180.022 177.584 0.004 0.000 1.181 525 A CA 1.934 53.974 52.037 0.005 0.000 0.623 525 A CB -1.174 17.821 19.000 -0.008 0.000 0.818 525 A HN 0.583 nan 8.150 nan 0.000 0.443 526 A N -0.130 122.687 122.820 -0.005 0.000 1.902 526 A HA 0.148 4.468 4.320 -0.001 0.000 0.217 526 A C 2.507 180.102 177.584 0.020 0.000 1.181 526 A CA 2.113 54.148 52.037 -0.003 0.000 0.623 526 A CB -1.020 17.967 19.000 -0.021 0.000 0.818 526 A HN 1.070 nan 8.150 nan 0.000 0.443 527 A N -0.126 122.717 122.820 0.039 0.000 1.902 527 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 527 A C 2.151 179.782 177.584 0.079 0.000 1.181 527 A CA 1.575 53.652 52.037 0.068 0.000 0.623 527 A CB -0.666 18.390 19.000 0.094 0.000 0.818 527 A HN 0.486 nan 8.150 nan 0.000 0.443 528 L N -1.096 120.171 121.223 0.072 0.000 2.083 528 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 528 L C 2.550 179.434 176.870 0.023 0.000 1.083 528 L CA 1.719 56.590 54.840 0.053 0.000 0.752 528 L CB -0.532 41.528 42.059 0.001 0.000 0.899 528 L HN 0.379 nan 8.230 nan 0.000 0.433 529 E N 0.148 120.357 120.200 0.015 0.000 2.077 529 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 529 E C 2.259 178.870 176.600 0.018 0.000 0.989 529 E CA 1.180 57.584 56.400 0.007 0.000 0.800 529 E CB -0.169 29.532 29.700 0.001 0.000 0.746 529 E HN 0.446 nan 8.360 nan 0.000 0.452 530 A N 0.186 123.023 122.820 0.028 0.000 2.125 530 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 530 A C 0.972 178.581 177.584 0.042 0.000 1.156 530 A CA 0.416 52.473 52.037 0.033 0.000 0.671 530 A CB -0.212 18.811 19.000 0.039 0.000 0.794 530 A HN 0.166 nan 8.150 nan 0.000 0.459 531 L N 1.858 123.113 121.223 0.053 0.000 2.401 531 L HA 0.191 4.530 4.340 -0.001 0.000 0.283 531 L C -0.093 176.798 176.870 0.035 0.000 1.151 531 L CA 0.251 55.127 54.840 0.061 0.000 0.942 531 L CB -0.954 41.166 42.059 0.102 0.000 1.283 531 L HN 0.363 nan 8.230 nan 0.000 0.442 532 E N 0.000 120.217 120.200 0.028 0.000 2.725 532 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 532 E CA 0.000 56.410 56.400 0.017 0.000 0.976 532 E CB 0.000 29.707 29.700 0.012 0.000 0.812 532 E HN 0.000 nan 8.360 nan 0.000 0.440