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 2jj2_1_I DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLSK IRTDGKISEE SDAKLKEIVT NFLAGFE 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.103 176.094 0.015 0.000 1.182 23 V CA 0.000 62.309 62.300 0.014 0.000 1.235 23 V CB 0.000 31.829 31.823 0.010 0.000 1.184 24 D N 1.171 121.577 120.400 0.009 0.000 2.383 24 D HA 0.439 5.079 4.640 -0.000 0.000 0.252 24 D C 0.624 176.926 176.300 0.004 0.000 1.166 24 D CA 0.342 54.344 54.000 0.004 0.000 0.879 24 D CB 1.190 41.989 40.800 -0.003 0.000 1.164 24 D HN 0.461 nan 8.370 nan 0.000 0.462 25 L N 2.999 124.222 121.223 0.001 0.000 2.769 25 L HA 0.213 4.553 4.340 -0.000 0.000 0.240 25 L C 1.387 178.235 176.870 -0.037 0.000 1.163 25 L CA 0.038 54.872 54.840 -0.011 0.000 0.962 25 L CB 0.217 42.274 42.059 -0.003 0.000 1.258 25 L HN 0.457 nan 8.230 nan 0.000 0.513 26 E N -0.192 119.991 120.200 -0.028 0.000 2.206 26 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 26 E C 1.043 177.623 176.600 -0.033 0.000 0.935 26 E CA 0.322 56.703 56.400 -0.032 0.000 0.875 26 E CB 0.556 30.241 29.700 -0.023 0.000 0.841 26 E HN 0.278 nan 8.360 nan 0.000 0.477 27 E N 0.355 120.538 120.200 -0.028 0.000 2.481 27 E HA 0.144 4.494 4.350 -0.000 0.000 0.198 27 E C -0.069 176.508 176.600 -0.038 0.000 1.027 27 E CA 0.360 56.742 56.400 -0.030 0.000 0.900 27 E CB 1.366 31.052 29.700 -0.023 0.000 0.993 27 E HN -0.025 nan 8.360 nan 0.000 0.482 28 T N -0.116 114.416 114.554 -0.036 0.000 2.916 28 T HA 0.661 5.011 4.350 -0.000 0.000 0.305 28 T C -0.220 174.462 174.700 -0.030 0.000 1.119 28 T CA -0.603 61.475 62.100 -0.036 0.000 1.008 28 T CB 2.361 71.218 68.868 -0.019 0.000 1.129 28 T HN 0.122 nan 8.240 nan 0.000 0.480 29 G N 1.006 109.787 108.800 -0.031 0.000 2.733 29 G HA2 0.787 4.747 3.960 -0.000 0.000 0.288 29 G HA3 0.787 4.747 3.960 -0.000 0.000 0.288 29 G C -1.579 173.341 174.900 0.033 0.000 1.373 29 G CA -1.110 43.992 45.100 0.003 0.000 0.895 29 G HN 0.829 nan 8.290 nan 0.000 0.479 30 R N -0.875 119.678 120.500 0.088 0.000 2.686 30 R HA 0.671 5.011 4.340 -0.000 0.000 0.286 30 R C -1.077 175.286 176.300 0.106 0.000 0.969 30 R CA -0.804 55.349 56.100 0.087 0.000 0.898 30 R CB 1.973 32.317 30.300 0.073 0.000 1.183 30 R HN 0.280 nan 8.270 nan 0.000 0.456 31 V N 4.860 124.842 119.914 0.113 0.000 2.493 31 V HA -0.037 4.083 4.120 -0.000 0.000 0.292 31 V C 1.364 177.504 176.094 0.076 0.000 1.016 31 V CA 0.218 62.589 62.300 0.120 0.000 1.097 31 V CB 0.305 32.210 31.823 0.137 0.000 0.947 31 V HN 0.758 nan 8.190 nan 0.000 0.479 32 L N 3.837 125.104 121.223 0.072 0.000 2.127 32 L HA 0.116 4.456 4.340 -0.000 0.000 0.203 32 L C 0.916 177.803 176.870 0.027 0.000 1.080 32 L CA 0.988 55.854 54.840 0.044 0.000 0.768 32 L CB 0.082 42.173 42.059 0.053 0.000 0.924 32 L HN 0.866 nan 8.230 nan 0.000 0.444 33 S N -1.153 114.565 115.700 0.030 0.000 2.547 33 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 33 S C -1.086 173.519 174.600 0.007 0.000 1.150 33 S CA -0.796 57.412 58.200 0.013 0.000 0.850 33 S CB 2.571 65.775 63.200 0.006 0.000 1.118 33 S HN 0.010 nan 8.310 nan 0.000 0.461 34 I N 0.527 121.090 120.570 -0.011 0.000 2.692 34 I HA 0.831 5.001 4.170 -0.000 0.000 0.293 34 I C 0.216 176.311 176.117 -0.037 0.000 1.200 34 I CA 0.346 61.626 61.300 -0.032 0.000 1.036 34 I CB 1.596 39.562 38.000 -0.057 0.000 1.258 34 I HN 1.127 nan 8.210 nan 0.000 0.421 35 G N 4.496 113.270 108.800 -0.043 0.000 4.178 35 G HA2 0.022 3.982 3.960 -0.000 0.000 0.188 35 G HA3 0.022 3.982 3.960 -0.000 0.000 0.188 35 G C -0.111 174.764 174.900 -0.043 0.000 0.968 35 G CA -0.120 44.956 45.100 -0.040 0.000 0.965 35 G HN 0.466 nan 8.290 nan 0.000 0.396 36 D N 1.374 121.747 120.400 -0.046 0.000 2.895 36 D HA 0.402 5.042 4.640 -0.000 0.000 0.258 36 D C 1.575 177.838 176.300 -0.061 0.000 1.311 36 D CA 0.562 54.532 54.000 -0.049 0.000 0.843 36 D CB 0.239 41.011 40.800 -0.047 0.000 1.055 36 D HN 0.667 nan 8.370 nan 0.000 0.486 37 G N 0.749 109.509 108.800 -0.066 0.000 2.189 37 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 37 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 37 G C 0.368 175.212 174.900 -0.093 0.000 0.975 37 G CA -0.143 44.909 45.100 -0.079 0.000 0.644 37 G HN 0.379 nan 8.290 nan 0.000 0.537 38 I N 1.040 121.564 120.570 -0.076 0.000 2.406 38 I HA 0.658 4.828 4.170 -0.000 0.000 0.290 38 I C 0.448 176.542 176.117 -0.038 0.000 0.999 38 I CA -0.726 60.537 61.300 -0.062 0.000 1.124 38 I CB 1.579 39.546 38.000 -0.055 0.000 1.289 38 I HN 0.281 nan 8.210 nan 0.000 0.441 39 A N 7.875 130.691 122.820 -0.007 0.000 2.276 39 A HA 0.643 4.963 4.320 -0.000 0.000 0.316 39 A C -0.092 177.531 177.584 0.065 0.000 1.229 39 A CA -0.717 51.344 52.037 0.040 0.000 0.851 39 A CB 0.667 19.732 19.000 0.109 0.000 1.165 39 A HN 0.592 nan 8.150 nan 0.000 0.513 40 R N 1.999 122.530 120.500 0.052 0.000 2.229 40 R HA 0.463 4.803 4.340 -0.000 0.000 0.328 40 R C -1.123 175.222 176.300 0.074 0.000 1.009 40 R CA -0.275 55.855 56.100 0.050 0.000 0.864 40 R CB 1.250 31.570 30.300 0.034 0.000 1.085 40 R HN 0.445 nan 8.270 nan 0.000 0.453 41 V N 3.284 123.240 119.914 0.071 0.000 2.495 41 V HA 0.168 4.288 4.120 -0.000 0.000 0.298 41 V C -0.170 175.971 176.094 0.079 0.000 1.031 41 V CA -0.964 61.385 62.300 0.081 0.000 0.871 41 V CB 1.660 33.513 31.823 0.050 0.000 0.988 41 V HN 0.709 nan 8.190 nan 0.000 0.432 42 H N 3.017 122.092 119.070 0.010 0.000 2.548 42 H HA 0.651 5.207 4.556 0.000 0.000 0.331 42 H C 0.576 175.901 175.328 -0.005 0.000 1.093 42 H CA 1.472 57.522 56.048 0.003 0.000 1.367 42 H CB 1.089 30.854 29.762 0.005 0.000 1.455 42 H HN 1.084 nan 8.280 nan 0.000 0.519 43 G N 2.927 111.434 108.800 -0.488 0.000 2.481 43 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.230 43 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.230 43 G C -0.054 174.756 174.900 -0.151 0.000 1.210 43 G CA -0.386 44.539 45.100 -0.291 0.000 0.936 43 G HN 1.216 nan 8.290 nan 0.000 0.583 44 L N -0.384 120.783 121.223 -0.092 0.000 3.678 44 L HA -0.217 4.123 4.340 -0.000 0.000 0.425 44 L C 2.179 179.008 176.870 -0.069 0.000 1.240 44 L CA 0.767 55.564 54.840 -0.072 0.000 0.876 44 L CB -0.803 41.214 42.059 -0.070 0.000 1.766 44 L HN 0.630 nan 8.230 nan 0.000 0.917 45 R N -0.035 120.421 120.500 -0.074 0.000 2.200 45 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 45 R C 1.418 177.692 176.300 -0.044 0.000 1.127 45 R CA 1.103 57.165 56.100 -0.064 0.000 0.989 45 R CB -0.378 29.885 30.300 -0.062 0.000 0.869 45 R HN 0.570 nan 8.270 nan 0.000 0.459 46 N N 0.218 118.895 118.700 -0.038 0.000 2.236 46 N HA 0.006 4.746 4.740 -0.000 0.000 0.196 46 N C 0.094 175.589 175.510 -0.026 0.000 1.114 46 N CA 0.056 53.089 53.050 -0.028 0.000 0.859 46 N CB 0.606 39.078 38.487 -0.024 0.000 0.982 46 N HN 0.008 nan 8.380 nan 0.000 0.493 47 V N -0.113 119.783 119.914 -0.031 0.000 2.872 47 V HA 0.109 4.229 4.120 -0.000 0.000 0.307 47 V C 0.495 176.579 176.094 -0.016 0.000 1.072 47 V CA -0.537 61.748 62.300 -0.025 0.000 1.148 47 V CB 0.400 32.204 31.823 -0.031 0.000 0.954 47 V HN 0.049 nan 8.190 nan 0.000 0.490 48 Q N 2.143 121.938 119.800 -0.008 0.000 2.212 48 Q HA 0.681 5.021 4.340 -0.000 0.000 0.238 48 Q C 0.255 176.257 176.000 0.004 0.000 0.955 48 Q CA -0.377 55.425 55.803 -0.001 0.000 0.906 48 Q CB 1.343 30.083 28.738 0.003 0.000 1.215 48 Q HN 1.127 nan 8.270 nan 0.000 0.478 49 A N 1.443 124.268 122.820 0.008 0.000 2.488 49 A HA 0.088 4.408 4.320 -0.000 0.000 0.249 49 A C -0.067 177.532 177.584 0.025 0.000 1.083 49 A CA 0.161 52.208 52.037 0.016 0.000 0.768 49 A CB -0.259 18.752 19.000 0.018 0.000 1.017 49 A HN 0.921 nan 8.150 nan 0.000 0.496 50 E N -0.448 119.774 120.200 0.035 0.000 3.181 50 E HA -0.192 4.158 4.350 -0.000 0.000 0.293 50 E C 0.031 176.666 176.600 0.057 0.000 0.936 50 E CA 1.141 57.574 56.400 0.054 0.000 0.975 50 E CB -1.375 28.353 29.700 0.047 0.000 1.496 50 E HN 0.901 nan 8.360 nan 0.000 0.429 51 E N 0.848 121.073 120.200 0.042 0.000 2.259 51 E HA 0.300 4.650 4.350 -0.000 0.000 0.281 51 E C -0.058 176.576 176.600 0.056 0.000 1.027 51 E CA -0.600 55.822 56.400 0.037 0.000 0.838 51 E CB 0.731 30.439 29.700 0.013 0.000 1.066 51 E HN 0.059 nan 8.360 nan 0.000 0.401 52 M N 5.248 124.892 119.600 0.073 0.000 2.238 52 M HA 0.073 4.553 4.480 -0.000 0.000 0.350 52 M C -0.936 175.385 176.300 0.036 0.000 1.321 52 M CA -0.006 55.354 55.300 0.101 0.000 1.097 52 M CB 0.632 33.294 32.600 0.104 0.000 1.713 52 M HN 0.342 nan 8.290 nan 0.000 0.455 53 V N 1.758 121.678 119.914 0.009 0.000 3.019 53 V HA 0.735 4.855 4.120 -0.000 0.000 0.317 53 V C -0.811 175.212 176.094 -0.118 0.000 1.094 53 V CA -0.890 61.350 62.300 -0.101 0.000 1.000 53 V CB 1.933 33.629 31.823 -0.212 0.000 1.060 53 V HN 0.863 nan 8.190 nan 0.000 0.443 54 E N 0.655 120.738 120.200 -0.195 0.000 2.210 54 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 54 E C -1.764 174.696 176.600 -0.233 0.000 0.883 54 E CA -0.678 55.658 56.400 -0.107 0.000 0.761 54 E CB 1.863 31.550 29.700 -0.021 0.000 1.156 54 E HN 0.640 nan 8.360 nan 0.000 0.412 55 F N 1.288 121.257 119.950 0.032 0.000 2.377 55 F HA 0.097 4.624 4.527 -0.000 0.000 0.328 55 F C 1.933 177.747 175.800 0.023 0.000 1.094 55 F CA -0.140 57.874 58.000 0.024 0.000 1.093 55 F CB 1.518 40.531 39.000 0.022 0.000 1.214 55 F HN 0.573 nan 8.300 nan 0.000 0.518 56 S N -0.599 115.223 115.700 0.202 0.000 2.400 56 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 56 S C 1.688 176.355 174.600 0.112 0.000 1.025 56 S CA 1.263 59.534 58.200 0.117 0.000 0.993 56 S CB -0.961 62.295 63.200 0.093 0.000 0.808 56 S HN 0.656 nan 8.310 nan 0.000 0.478 57 S N 0.399 116.182 115.700 0.139 0.000 2.603 57 S HA 0.442 4.912 4.470 -0.000 0.000 0.229 57 S C 1.657 176.312 174.600 0.092 0.000 0.972 57 S CA 0.447 58.702 58.200 0.091 0.000 0.935 57 S CB -0.638 62.596 63.200 0.057 0.000 0.769 57 S HN 1.359 nan 8.310 nan 0.000 0.536 58 G N 0.837 109.709 108.800 0.120 0.000 2.284 58 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.230 58 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.230 58 G C 0.046 175.030 174.900 0.139 0.000 1.021 58 G CA -0.005 45.159 45.100 0.106 0.000 0.619 58 G HN 0.507 nan 8.290 nan 0.000 0.510 59 L N 1.432 122.756 121.223 0.170 0.000 2.506 59 L HA 0.275 4.615 4.340 -0.000 0.000 0.281 59 L C 0.664 177.735 176.870 0.335 0.000 1.228 59 L CA 0.209 55.170 54.840 0.202 0.000 0.850 59 L CB 0.413 42.534 42.059 0.103 0.000 1.110 59 L HN 0.098 nan 8.230 nan 0.000 0.496 60 K N 2.161 122.749 120.400 0.313 0.000 2.156 60 K HA 0.676 4.996 4.320 -0.000 0.000 0.254 60 K C -0.050 176.815 176.600 0.441 0.000 0.950 60 K CA -0.483 56.013 56.287 0.348 0.000 0.849 60 K CB 2.032 34.704 32.500 0.288 0.000 1.100 60 K HN 0.740 nan 8.250 nan 0.000 0.434 61 G N 0.577 109.601 108.800 0.373 0.000 2.733 61 G HA2 0.644 4.604 3.960 -0.000 0.000 0.288 61 G HA3 0.644 4.604 3.960 -0.000 0.000 0.288 61 G C -1.511 173.462 174.900 0.121 0.000 1.373 61 G CA -0.710 44.513 45.100 0.205 0.000 0.895 61 G HN 0.480 nan 8.290 nan 0.000 0.479 62 M N 1.156 120.720 119.600 -0.060 0.000 2.259 62 M HA 0.441 4.921 4.480 -0.000 0.000 0.304 62 M C -0.522 175.783 176.300 0.008 0.000 1.019 62 M CA -0.583 54.748 55.300 0.051 0.000 0.922 62 M CB 1.714 34.397 32.600 0.138 0.000 1.600 62 M HN 0.387 nan 8.290 nan 0.000 0.433 63 S N 5.302 121.016 115.700 0.024 0.000 2.507 63 S HA 0.062 4.532 4.470 -0.000 0.000 0.299 63 S C 0.438 175.047 174.600 0.016 0.000 1.214 63 S CA -0.420 57.786 58.200 0.009 0.000 1.137 63 S CB 0.392 63.594 63.200 0.003 0.000 1.009 63 S HN 0.735 nan 8.310 nan 0.000 0.512 64 L N 3.874 125.100 121.223 0.005 0.000 2.356 64 L HA 0.399 4.739 4.340 -0.000 0.000 0.193 64 L C 0.116 176.991 176.870 0.009 0.000 1.087 64 L CA 1.120 55.966 54.840 0.010 0.000 0.817 64 L CB -0.022 42.031 42.059 -0.010 0.000 1.035 64 L HN 0.439 nan 8.230 nan 0.000 0.482 65 N N 0.247 118.947 118.700 0.001 0.000 2.437 65 N HA 0.455 5.195 4.740 -0.000 0.000 0.259 65 N C -1.424 174.085 175.510 -0.001 0.000 0.983 65 N CA -0.101 52.949 53.050 0.001 0.000 0.937 65 N CB 0.986 39.472 38.487 -0.003 0.000 1.122 65 N HN 0.104 nan 8.380 nan 0.000 0.499 66 L N 2.336 123.559 121.223 -0.001 0.000 2.264 66 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 66 L C 0.143 177.009 176.870 -0.006 0.000 1.039 66 L CA -0.283 54.553 54.840 -0.006 0.000 0.829 66 L CB 0.630 42.685 42.059 -0.006 0.000 1.211 66 L HN 0.445 nan 8.230 nan 0.000 0.427 67 E N 3.433 123.628 120.200 -0.009 0.000 2.281 67 E HA 0.330 4.680 4.350 -0.000 0.000 0.262 67 E C -1.708 174.885 176.600 -0.013 0.000 0.933 67 E CA -1.732 54.664 56.400 -0.007 0.000 0.809 67 E CB 1.873 31.572 29.700 -0.002 0.000 1.242 67 E HN 0.258 nan 8.360 nan 0.000 0.418 68 P HA -0.200 nan 4.420 nan 0.000 0.217 68 P C 0.382 177.671 177.300 -0.018 0.000 1.151 68 P CA 1.430 64.522 63.100 -0.012 0.000 0.849 68 P CB 0.165 31.862 31.700 -0.004 0.000 0.787 69 D N -2.328 118.068 120.400 -0.007 0.000 2.433 69 D HA 0.054 4.694 4.640 -0.000 0.000 0.211 69 D C 0.150 176.452 176.300 0.004 0.000 1.114 69 D CA -0.158 53.844 54.000 0.004 0.000 0.837 69 D CB -0.668 40.155 40.800 0.037 0.000 0.984 69 D HN 0.371 nan 8.370 nan 0.000 0.505 70 N N -1.583 117.111 118.700 -0.010 0.000 3.046 70 N HA 0.405 5.145 4.740 -0.000 0.000 0.243 70 N C -1.958 173.544 175.510 -0.013 0.000 1.452 70 N CA -0.994 52.054 53.050 -0.003 0.000 0.882 70 N CB 1.673 40.179 38.487 0.031 0.000 1.425 70 N HN -0.215 nan 8.380 nan 0.000 0.517 71 V N 0.022 119.931 119.914 -0.008 0.000 2.459 71 V HA 0.755 4.875 4.120 -0.000 0.000 0.295 71 V C 0.598 176.698 176.094 0.009 0.000 1.029 71 V CA -0.596 61.699 62.300 -0.007 0.000 0.874 71 V CB 1.270 33.082 31.823 -0.019 0.000 0.985 71 V HN 0.874 nan 8.190 nan 0.000 0.438 72 G N 3.583 112.386 108.800 0.005 0.000 2.338 72 G HA2 0.513 4.473 3.960 -0.000 0.000 0.295 72 G HA3 0.513 4.473 3.960 -0.000 0.000 0.295 72 G C -0.680 174.222 174.900 0.004 0.000 1.132 72 G CA -0.201 44.902 45.100 0.005 0.000 0.922 72 G HN 0.550 nan 8.290 nan 0.000 0.427 73 V N 3.777 123.706 119.914 0.025 0.000 2.384 73 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 73 V C 0.317 176.397 176.094 -0.025 0.000 1.020 73 V CA -0.793 61.526 62.300 0.032 0.000 0.850 73 V CB 1.599 33.507 31.823 0.141 0.000 0.987 73 V HN 0.524 nan 8.190 nan 0.000 0.436 74 V N 6.018 125.860 119.914 -0.120 0.000 2.470 74 V HA 0.140 4.260 4.120 -0.000 0.000 0.276 74 V C 0.300 176.155 176.094 -0.397 0.000 1.040 74 V CA -0.195 61.952 62.300 -0.256 0.000 1.008 74 V CB 1.252 32.883 31.823 -0.319 0.000 0.990 74 V HN 0.622 nan 8.190 nan 0.000 0.477 75 V N 6.408 126.147 119.914 -0.291 0.000 2.406 75 V HA 0.284 4.404 4.120 -0.000 0.000 0.272 75 V C 0.145 176.105 176.094 -0.223 0.000 1.043 75 V CA -0.173 61.992 62.300 -0.225 0.000 0.915 75 V CB 0.673 32.374 31.823 -0.203 0.000 0.988 75 V HN 0.727 nan 8.190 nan 0.000 0.466 76 F N 4.659 124.668 119.950 0.098 0.000 2.669 76 F HA 0.597 5.124 4.527 -0.000 0.000 0.353 76 F C 1.161 176.999 175.800 0.063 0.000 1.192 76 F CA 0.363 58.419 58.000 0.095 0.000 1.317 76 F CB 0.303 39.371 39.000 0.113 0.000 1.652 76 F HN 0.757 nan 8.300 nan 0.000 0.608 77 G N 0.519 109.415 108.800 0.159 0.000 2.345 77 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.285 77 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.285 77 G C -1.797 173.114 174.900 0.019 0.000 1.297 77 G CA -1.154 44.000 45.100 0.090 0.000 0.875 77 G HN 0.054 nan 8.290 nan 0.000 0.506 78 N N 1.739 120.439 118.700 0.001 0.000 2.402 78 N HA 0.198 4.938 4.740 -0.000 0.000 0.252 78 N C 1.068 176.538 175.510 -0.068 0.000 1.118 78 N CA 0.146 53.182 53.050 -0.022 0.000 0.945 78 N CB 0.736 39.218 38.487 -0.009 0.000 1.147 78 N HN 0.509 nan 8.380 nan 0.000 0.495 79 D N 2.753 123.100 120.400 -0.088 0.000 2.378 79 D HA -0.167 4.473 4.640 -0.000 0.000 0.227 79 D C 1.226 177.461 176.300 -0.108 0.000 1.012 79 D CA 0.253 54.171 54.000 -0.136 0.000 0.905 79 D CB 0.238 40.952 40.800 -0.143 0.000 0.895 79 D HN 0.622 nan 8.370 nan 0.000 0.532 80 K N 1.583 121.940 120.400 -0.071 0.000 2.152 80 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 80 K C 1.912 178.478 176.600 -0.058 0.000 1.048 80 K CA 0.655 56.910 56.287 -0.053 0.000 0.933 80 K CB -0.220 32.261 32.500 -0.033 0.000 0.721 80 K HN 0.198 nan 8.250 nan 0.000 0.447 81 L N 1.073 122.253 121.223 -0.072 0.000 2.552 81 L HA 0.142 4.482 4.340 -0.000 0.000 0.227 81 L C 0.745 177.564 176.870 -0.085 0.000 1.146 81 L CA 0.160 54.962 54.840 -0.064 0.000 0.858 81 L CB -0.010 42.017 42.059 -0.054 0.000 0.969 81 L HN 0.135 nan 8.230 nan 0.000 0.451 82 I N -0.272 120.217 120.570 -0.135 0.000 2.412 82 I HA 0.279 4.449 4.170 -0.000 0.000 0.296 82 I C -0.192 175.877 176.117 -0.080 0.000 0.987 82 I CA -0.417 60.791 61.300 -0.155 0.000 1.180 82 I CB 1.606 39.391 38.000 -0.359 0.000 1.340 82 I HN -0.053 nan 8.210 nan 0.000 0.455 83 K N 3.837 124.220 120.400 -0.029 0.000 2.400 83 K HA 0.361 4.681 4.320 -0.000 0.000 0.246 83 K C -0.805 175.804 176.600 0.016 0.000 0.995 83 K CA -0.978 55.304 56.287 -0.009 0.000 0.840 83 K CB 2.159 34.659 32.500 -0.001 0.000 1.293 83 K HN 0.505 nan 8.250 nan 0.000 0.445 84 E N 0.379 120.586 120.200 0.012 0.000 2.480 84 E HA -0.003 4.347 4.350 -0.000 0.000 0.258 84 E C 0.465 177.080 176.600 0.026 0.000 0.984 84 E CA 1.305 57.717 56.400 0.021 0.000 0.930 84 E CB 0.142 29.847 29.700 0.009 0.000 0.936 84 E HN 0.774 nan 8.360 nan 0.000 0.466 85 G N 4.307 113.130 108.800 0.038 0.000 2.279 85 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.223 85 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.223 85 G C -0.052 174.882 174.900 0.056 0.000 1.015 85 G CA -0.012 45.110 45.100 0.036 0.000 0.621 85 G HN 0.663 nan 8.290 nan 0.000 0.506 86 D N 1.037 121.482 120.400 0.076 0.000 2.601 86 D HA 0.297 4.937 4.640 -0.000 0.000 0.229 86 D C 0.935 177.307 176.300 0.119 0.000 1.140 86 D CA 0.430 54.496 54.000 0.109 0.000 0.862 86 D CB 0.409 41.303 40.800 0.156 0.000 1.192 86 D HN 0.407 nan 8.370 nan 0.000 0.480 87 I N 1.800 122.426 120.570 0.093 0.000 2.474 87 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 87 I C -0.070 176.056 176.117 0.014 0.000 1.048 87 I CA -0.266 61.064 61.300 0.050 0.000 1.383 87 I CB 1.040 39.058 38.000 0.030 0.000 1.412 87 I HN 0.002 nan 8.210 nan 0.000 0.531 88 V N 6.168 126.037 119.914 -0.075 0.000 2.444 88 V HA 0.446 4.566 4.120 -0.000 0.000 0.294 88 V C -0.194 175.787 176.094 -0.188 0.000 1.022 88 V CA -1.011 61.128 62.300 -0.269 0.000 0.850 88 V CB 1.283 32.880 31.823 -0.376 0.000 0.992 88 V HN 0.589 nan 8.190 nan 0.000 0.426 89 K N 3.765 124.052 120.400 -0.189 0.000 2.221 89 K HA 0.603 4.923 4.320 -0.000 0.000 0.258 89 K C -0.214 176.317 176.600 -0.115 0.000 0.944 89 K CA -0.865 55.354 56.287 -0.113 0.000 0.823 89 K CB 2.280 34.739 32.500 -0.068 0.000 1.113 89 K HN 0.557 nan 8.250 nan 0.000 0.431 90 R N 0.530 120.981 120.500 -0.081 0.000 2.756 90 R HA -0.037 4.303 4.340 -0.000 0.000 0.264 90 R C 1.232 177.508 176.300 -0.041 0.000 1.026 90 R CA 0.571 56.636 56.100 -0.059 0.000 1.121 90 R CB 0.307 30.581 30.300 -0.042 0.000 0.999 90 R HN 0.823 nan 8.270 nan 0.000 0.449 91 T N -2.203 112.335 114.554 -0.027 0.000 2.990 91 T HA 0.167 4.517 4.350 -0.000 0.000 0.250 91 T C 1.336 176.032 174.700 -0.007 0.000 1.041 91 T CA 0.389 62.482 62.100 -0.012 0.000 1.010 91 T CB 0.576 69.445 68.868 0.002 0.000 1.003 91 T HN 0.807 nan 8.240 nan 0.000 0.499 92 G N 1.444 110.239 108.800 -0.009 0.000 2.179 92 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.260 92 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.260 92 G C 0.219 175.119 174.900 -0.000 0.000 0.977 92 G CA -0.090 45.007 45.100 -0.006 0.000 0.641 92 G HN 1.341 nan 8.290 nan 0.000 0.533 93 A N 1.046 123.869 122.820 0.005 0.000 2.287 93 A HA 0.732 5.052 4.320 -0.000 0.000 0.317 93 A C 0.509 178.103 177.584 0.018 0.000 1.220 93 A CA -0.694 51.348 52.037 0.009 0.000 0.835 93 A CB 0.700 19.705 19.000 0.008 0.000 1.180 93 A HN 0.536 nan 8.150 nan 0.000 0.500 94 I N 2.590 123.169 120.570 0.016 0.000 2.775 94 I HA -0.051 4.119 4.170 -0.000 0.000 0.290 94 I C 0.749 176.882 176.117 0.025 0.000 1.203 94 I CA 0.345 61.658 61.300 0.022 0.000 1.433 94 I CB 0.251 38.259 38.000 0.014 0.000 1.354 94 I HN 0.393 nan 8.210 nan 0.000 0.579 95 V N 6.989 126.929 119.914 0.044 0.000 2.583 95 V HA -0.054 4.066 4.120 -0.000 0.000 0.302 95 V C 0.339 176.433 176.094 0.000 0.000 1.033 95 V CA 0.343 62.669 62.300 0.043 0.000 1.194 95 V CB -0.436 31.439 31.823 0.088 0.000 0.879 95 V HN 0.920 nan 8.190 nan 0.000 0.482 96 D N 3.885 124.278 120.400 -0.013 0.000 2.626 96 D HA 0.702 5.342 4.640 -0.000 0.000 0.278 96 D C -0.731 175.546 176.300 -0.039 0.000 1.211 96 D CA -0.559 53.426 54.000 -0.024 0.000 0.903 96 D CB 2.236 43.027 40.800 -0.014 0.000 1.408 96 D HN 0.519 nan 8.370 nan 0.000 0.454 97 V N -4.748 115.142 119.914 -0.040 0.000 3.078 97 V HA 0.736 4.856 4.120 -0.000 0.000 0.311 97 V C -2.892 173.171 176.094 -0.052 0.000 1.138 97 V CA -2.228 60.043 62.300 -0.048 0.000 1.007 97 V CB 1.849 33.641 31.823 -0.052 0.000 1.045 97 V HN 0.566 nan 8.190 nan 0.000 0.432 98 P HA 0.328 nan 4.420 nan 0.000 0.269 98 P C -0.741 176.492 177.300 -0.111 0.000 1.215 98 P CA 0.175 63.228 63.100 -0.078 0.000 0.780 98 P CB 1.408 33.068 31.700 -0.068 0.000 0.898 99 V N 0.886 120.694 119.914 -0.177 0.000 3.147 99 V HA 0.815 4.935 4.120 -0.000 0.000 0.306 99 V C 0.273 176.043 176.094 -0.541 0.000 1.209 99 V CA 0.401 62.526 62.300 -0.292 0.000 1.023 99 V CB 2.010 33.703 31.823 -0.217 0.000 1.059 99 V HN 1.093 nan 8.190 nan 0.000 0.435 100 G N 1.997 110.232 108.800 -0.943 0.000 2.353 100 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.615 100 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.615 100 G C 0.006 174.484 174.900 -0.703 0.000 1.280 100 G CA 0.028 44.280 45.100 -1.415 0.000 1.000 100 G HN 0.636 nan 8.290 nan 0.000 0.516 101 E N 0.465 120.403 120.200 -0.436 0.000 2.418 101 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 101 E C 1.931 178.532 176.600 0.000 0.000 1.026 101 E CA 1.210 57.579 56.400 -0.051 0.000 0.862 101 E CB 0.076 29.812 29.700 0.060 0.000 0.799 101 E HN 0.643 nan 8.360 nan 0.000 0.518 102 E N 0.800 120.958 120.200 -0.070 0.000 2.482 102 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 102 E C 1.894 178.487 176.600 -0.012 0.000 1.047 102 E CA 0.284 56.667 56.400 -0.027 0.000 0.869 102 E CB -0.243 29.430 29.700 -0.045 0.000 0.836 102 E HN 0.318 nan 8.360 nan 0.000 0.520 103 L N 0.676 121.888 121.223 -0.019 0.000 2.313 103 L HA 0.065 4.405 4.340 -0.000 0.000 0.214 103 L C 1.208 178.113 176.870 0.058 0.000 1.119 103 L CA 0.121 54.968 54.840 0.011 0.000 0.809 103 L CB -0.340 41.720 42.059 0.002 0.000 0.933 103 L HN 0.004 nan 8.230 nan 0.000 0.449 104 L N 0.895 122.178 121.223 0.101 0.000 2.559 104 L HA 0.046 4.386 4.340 -0.000 0.000 0.274 104 L C 1.396 178.309 176.870 0.072 0.000 1.205 104 L CA 0.778 55.696 54.840 0.130 0.000 0.907 104 L CB -0.205 41.979 42.059 0.208 0.000 1.153 104 L HN 0.384 nan 8.230 nan 0.000 0.490 105 G N 1.927 110.751 108.800 0.040 0.000 2.176 105 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 105 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 105 G C 0.248 175.148 174.900 0.000 0.000 0.979 105 G CA -0.449 44.652 45.100 0.002 0.000 0.641 105 G HN 0.462 nan 8.290 nan 0.000 0.530 106 R N -0.060 120.449 120.500 0.015 0.000 2.540 106 R HA 0.668 5.008 4.340 -0.000 0.000 0.287 106 R C -0.060 176.249 176.300 0.015 0.000 0.980 106 R CA -0.774 55.333 56.100 0.011 0.000 0.966 106 R CB 1.643 31.950 30.300 0.012 0.000 1.106 106 R HN 0.227 nan 8.270 nan 0.000 0.480 107 V N 3.187 123.108 119.914 0.012 0.000 2.370 107 V HA 0.440 4.560 4.120 -0.000 0.000 0.283 107 V C 0.365 176.471 176.094 0.019 0.000 1.023 107 V CA -0.763 61.549 62.300 0.020 0.000 0.857 107 V CB 1.351 33.183 31.823 0.015 0.000 0.985 107 V HN 0.576 nan 8.190 nan 0.000 0.443 108 V N 1.063 120.992 119.914 0.024 0.000 3.074 108 V HA 0.800 4.920 4.120 -0.000 0.000 0.314 108 V C -0.416 175.690 176.094 0.020 0.000 1.117 108 V CA -0.895 61.415 62.300 0.017 0.000 1.014 108 V CB 2.097 33.925 31.823 0.008 0.000 1.057 108 V HN 0.789 nan 8.190 nan 0.000 0.438 109 D N 1.604 122.013 120.400 0.014 0.000 2.478 109 D HA 0.491 5.131 4.640 -0.000 0.000 0.274 109 D C 1.218 177.517 176.300 -0.003 0.000 1.234 109 D CA 0.009 54.018 54.000 0.015 0.000 1.069 109 D CB 1.208 42.021 40.800 0.021 0.000 1.113 109 D HN 0.803 nan 8.370 nan 0.000 0.571 110 A N -0.655 122.159 122.820 -0.010 0.000 2.019 110 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 110 A C 2.268 179.795 177.584 -0.095 0.000 1.164 110 A CA 1.015 53.023 52.037 -0.048 0.000 0.644 110 A CB -0.820 18.151 19.000 -0.048 0.000 0.805 110 A HN 0.529 nan 8.150 nan 0.000 0.449 111 L N -1.810 119.364 121.223 -0.082 0.000 2.567 111 L HA 0.239 4.579 4.340 -0.000 0.000 0.225 111 L C 1.708 178.545 176.870 -0.056 0.000 1.119 111 L CA 0.556 55.338 54.840 -0.096 0.000 0.871 111 L CB 0.024 42.043 42.059 -0.067 0.000 1.036 111 L HN 0.555 nan 8.230 nan 0.000 0.459 112 G N -0.475 108.303 108.800 -0.037 0.000 2.176 112 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.232 112 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.232 112 G C 0.123 175.014 174.900 -0.015 0.000 0.986 112 G CA -0.407 44.677 45.100 -0.027 0.000 0.643 112 G HN 0.346 nan 8.290 nan 0.000 0.522 113 N N 1.604 120.299 118.700 -0.008 0.000 2.468 113 N HA 0.449 5.189 4.740 -0.000 0.000 0.265 113 N C 0.775 176.288 175.510 0.005 0.000 1.199 113 N CA 0.789 53.840 53.050 0.002 0.000 0.928 113 N CB 1.177 39.670 38.487 0.011 0.000 1.059 113 N HN 0.779 nan 8.380 nan 0.000 0.467 114 A N 2.460 125.282 122.820 0.004 0.000 2.531 114 A HA 0.162 4.482 4.320 -0.000 0.000 0.236 114 A C 1.318 178.908 177.584 0.010 0.000 1.062 114 A CA 0.029 52.069 52.037 0.006 0.000 0.760 114 A CB -0.310 18.692 19.000 0.003 0.000 0.995 114 A HN 0.838 nan 8.150 nan 0.000 0.501 115 I N -1.475 119.102 120.570 0.011 0.000 4.310 115 I HA 0.251 4.421 4.170 -0.000 0.000 0.328 115 I C 0.129 176.252 176.117 0.010 0.000 1.406 115 I CA -0.011 61.298 61.300 0.014 0.000 1.174 115 I CB 0.559 38.570 38.000 0.019 0.000 1.279 115 I HN 0.432 nan 8.210 nan 0.000 0.471 116 D N 1.255 121.659 120.400 0.007 0.000 2.339 116 D HA 0.170 4.810 4.640 -0.000 0.000 0.217 116 D C 1.647 177.948 176.300 0.001 0.000 1.050 116 D CA 0.473 54.474 54.000 0.002 0.000 0.856 116 D CB 0.097 40.897 40.800 -0.001 0.000 0.922 116 D HN 0.435 nan 8.370 nan 0.000 0.518 117 G N 0.986 109.787 108.800 0.003 0.000 2.179 117 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 117 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 117 G C 0.621 175.522 174.900 0.001 0.000 1.010 117 G CA 0.400 45.502 45.100 0.002 0.000 0.736 117 G HN 0.460 nan 8.290 nan 0.000 0.513 118 K N 0.271 120.672 120.400 0.000 0.000 2.570 118 K HA 0.471 4.791 4.320 -0.000 0.000 0.210 118 K C 1.344 177.944 176.600 0.000 0.000 1.048 118 K CA 0.288 56.575 56.287 -0.001 0.000 1.167 118 K CB 0.308 32.807 32.500 -0.002 0.000 0.892 118 K HN 1.371 nan 8.250 nan 0.000 0.480 119 G N 2.252 111.053 108.800 0.001 0.000 2.760 119 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.246 119 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.246 119 G C -2.741 172.159 174.900 -0.000 0.000 1.359 119 G CA -1.240 43.860 45.100 0.001 0.000 0.861 119 G HN 0.072 nan 8.290 nan 0.000 0.541 120 P HA 0.504 nan 4.420 nan 0.000 0.274 120 P C 0.255 177.550 177.300 -0.008 0.000 1.246 120 P CA -0.656 62.442 63.100 -0.004 0.000 0.795 120 P CB 0.395 32.093 31.700 -0.004 0.000 1.006 121 I N 0.720 121.282 120.570 -0.013 0.000 2.371 121 I HA 0.166 4.336 4.170 -0.000 0.000 0.290 121 I C 1.494 177.596 176.117 -0.025 0.000 1.028 121 I CA -0.089 61.199 61.300 -0.020 0.000 1.345 121 I CB 0.179 38.162 38.000 -0.028 0.000 1.407 121 I HN 0.490 nan 8.210 nan 0.000 0.501 122 G N 4.311 113.096 108.800 -0.025 0.000 3.392 122 G HA2 0.019 3.979 3.960 -0.000 0.000 0.247 122 G HA3 0.019 3.979 3.960 -0.000 0.000 0.247 122 G C 0.598 175.471 174.900 -0.044 0.000 1.161 122 G CA -0.107 44.977 45.100 -0.027 0.000 1.739 122 G HN 0.602 nan 8.290 nan 0.000 0.619 123 S N -0.581 115.086 115.700 -0.055 0.000 2.528 123 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 123 S C 1.324 175.881 174.600 -0.071 0.000 1.297 123 S CA -0.331 57.819 58.200 -0.084 0.000 1.052 123 S CB 1.146 64.291 63.200 -0.092 0.000 0.917 123 S HN 0.475 nan 8.310 nan 0.000 0.492 124 K N 3.124 123.474 120.400 -0.084 0.000 2.240 124 K HA 0.332 4.652 4.320 -0.000 0.000 0.202 124 K C 0.794 177.358 176.600 -0.059 0.000 1.053 124 K CA 0.509 56.761 56.287 -0.058 0.000 0.973 124 K CB 0.014 32.487 32.500 -0.044 0.000 0.924 124 K HN 0.659 nan 8.250 nan 0.000 0.477 125 A N 1.622 124.391 122.820 -0.086 0.000 2.286 125 A HA 0.509 4.829 4.320 -0.000 0.000 0.286 125 A C -0.408 177.128 177.584 -0.080 0.000 1.097 125 A CA -0.337 51.660 52.037 -0.068 0.000 0.821 125 A CB 0.558 19.528 19.000 -0.049 0.000 1.076 125 A HN 0.156 nan 8.150 nan 0.000 0.490 126 R N -0.442 120.029 120.500 -0.049 0.000 2.867 126 R HA 0.756 5.096 4.340 -0.000 0.000 0.268 126 R C -0.796 175.488 176.300 -0.027 0.000 1.014 126 R CA -0.833 55.240 56.100 -0.045 0.000 0.946 126 R CB 2.352 32.633 30.300 -0.033 0.000 1.208 126 R HN 0.798 nan 8.270 nan 0.000 0.477 127 R N 0.798 121.283 120.500 -0.025 0.000 2.561 127 R HA 0.270 4.610 4.340 -0.000 0.000 0.266 127 R C -1.089 175.205 176.300 -0.011 0.000 1.091 127 R CA -0.764 55.331 56.100 -0.010 0.000 0.927 127 R CB 1.798 32.098 30.300 -0.000 0.000 1.240 127 R HN 0.546 nan 8.270 nan 0.000 0.449 128 R N 1.737 122.233 120.500 -0.006 0.000 2.570 128 R HA 0.005 4.345 4.340 -0.000 0.000 0.277 128 R C 1.512 177.806 176.300 -0.011 0.000 1.039 128 R CA 0.190 56.284 56.100 -0.010 0.000 1.065 128 R CB 0.725 31.021 30.300 -0.007 0.000 0.964 128 R HN 0.531 nan 8.270 nan 0.000 0.428 129 V N 0.733 120.633 119.914 -0.024 0.000 2.809 129 V HA 0.037 4.157 4.120 -0.000 0.000 0.256 129 V C 1.305 177.366 176.094 -0.056 0.000 1.080 129 V CA 1.760 64.047 62.300 -0.021 0.000 1.102 129 V CB -0.133 31.664 31.823 -0.044 0.000 0.705 129 V HN 0.872 nan 8.190 nan 0.000 0.475 130 G N 0.130 108.882 108.800 -0.081 0.000 3.337 130 G HA2 0.350 4.310 3.960 -0.000 0.000 0.246 130 G HA3 0.350 4.310 3.960 -0.000 0.000 0.246 130 G C 0.393 175.259 174.900 -0.057 0.000 1.131 130 G CA -0.495 44.534 45.100 -0.119 0.000 0.773 130 G HN 0.476 nan 8.290 nan 0.000 0.544 131 L N 1.173 122.382 121.223 -0.024 0.000 2.540 131 L HA 0.087 4.427 4.340 -0.000 0.000 0.276 131 L C 1.051 177.920 176.870 -0.001 0.000 1.212 131 L CA 0.012 54.849 54.840 -0.005 0.000 0.893 131 L CB 0.577 42.640 42.059 0.006 0.000 1.138 131 L HN 0.098 nan 8.230 nan 0.000 0.491 132 K N 2.856 123.259 120.400 0.005 0.000 2.355 132 K HA 0.328 4.648 4.320 -0.000 0.000 0.270 132 K C 0.025 176.630 176.600 0.008 0.000 1.003 132 K CA -0.461 55.834 56.287 0.013 0.000 0.957 132 K CB 0.811 33.323 32.500 0.020 0.000 0.939 132 K HN 0.677 nan 8.250 nan 0.000 0.482 133 A N 4.904 127.730 122.820 0.010 0.000 2.425 133 A HA 0.265 4.585 4.320 -0.000 0.000 0.242 133 A C -2.168 175.405 177.584 -0.018 0.000 1.077 133 A CA -1.187 50.850 52.037 0.001 0.000 0.781 133 A CB -0.425 18.579 19.000 0.006 0.000 1.020 133 A HN 0.616 nan 8.150 nan 0.000 0.494 134 P HA 0.150 nan 4.420 nan 0.000 0.264 134 P C 0.750 178.003 177.300 -0.077 0.000 1.183 134 P CA 0.769 63.818 63.100 -0.085 0.000 0.763 134 P CB 0.439 32.071 31.700 -0.113 0.000 0.807 135 G N 1.701 110.445 108.800 -0.093 0.000 2.514 135 G HA2 0.119 4.079 3.960 -0.000 0.000 0.245 135 G HA3 0.119 4.079 3.960 -0.000 0.000 0.245 135 G C 1.057 175.906 174.900 -0.085 0.000 1.488 135 G CA -0.509 44.549 45.100 -0.070 0.000 1.063 135 G HN 0.408 nan 8.290 nan 0.000 0.557 136 I N -0.123 120.410 120.570 -0.062 0.000 2.233 136 I HA -0.076 4.094 4.170 -0.000 0.000 0.243 136 I C 2.581 178.656 176.117 -0.071 0.000 1.093 136 I CA 0.397 61.667 61.300 -0.050 0.000 1.380 136 I CB -0.105 37.881 38.000 -0.023 0.000 1.067 136 I HN 0.196 nan 8.210 nan 0.000 0.413 137 I N 1.193 121.714 120.570 -0.083 0.000 2.127 137 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 137 I C -0.288 175.729 176.117 -0.166 0.000 1.075 137 I CA 1.789 63.046 61.300 -0.071 0.000 1.334 137 I CB -2.767 35.225 38.000 -0.012 0.000 1.040 137 I HN 0.146 nan 8.210 nan 0.000 0.405 138 P HA -0.069 nan 4.420 nan 0.000 0.231 138 P C 0.293 177.408 177.300 -0.309 0.000 1.158 138 P CA 0.978 63.558 63.100 -0.867 0.000 0.763 138 P CB 0.050 31.069 31.700 -1.136 0.000 0.805 139 R N -0.572 119.835 120.500 -0.154 0.000 2.691 139 R HA 0.755 5.095 4.340 -0.000 0.000 0.259 139 R C -0.199 176.096 176.300 -0.007 0.000 1.048 139 R CA -0.930 55.133 56.100 -0.062 0.000 1.086 139 R CB 1.426 31.693 30.300 -0.054 0.000 1.166 139 R HN -0.029 nan 8.270 nan 0.000 0.526 140 I N -0.433 120.143 120.570 0.010 0.000 3.006 140 I HA 0.189 4.359 4.170 -0.000 0.000 0.306 140 I C -0.601 175.526 176.117 0.016 0.000 1.250 140 I CA -0.677 60.635 61.300 0.020 0.000 0.996 140 I CB 2.413 40.433 38.000 0.034 0.000 1.261 140 I HN 0.844 nan 8.210 nan 0.000 0.442 141 S N 4.612 120.321 115.700 0.015 0.000 2.558 141 S HA 0.218 4.688 4.470 -0.000 0.000 0.288 141 S C 0.133 174.741 174.600 0.013 0.000 1.318 141 S CA -0.528 57.679 58.200 0.012 0.000 1.056 141 S CB 0.653 63.859 63.200 0.011 0.000 0.853 141 S HN 0.770 nan 8.310 nan 0.000 0.505 142 V N 1.788 121.708 119.914 0.010 0.000 2.872 142 V HA 0.450 4.570 4.120 -0.000 0.000 0.307 142 V C 0.988 177.081 176.094 -0.003 0.000 1.072 142 V CA 0.134 62.437 62.300 0.005 0.000 1.148 142 V CB 0.281 32.104 31.823 0.000 0.000 0.954 142 V HN 1.189 nan 8.190 nan 0.000 0.490 143 R N 0.671 121.164 120.500 -0.013 0.000 2.517 143 R HA 0.344 4.684 4.340 -0.000 0.000 0.228 143 R C -0.018 176.257 176.300 -0.041 0.000 0.950 143 R CA -0.467 55.622 56.100 -0.018 0.000 1.314 143 R CB 0.196 30.493 30.300 -0.005 0.000 1.739 143 R HN 0.687 nan 8.270 nan 0.000 0.481 144 E N 3.491 123.650 120.200 -0.068 0.000 2.197 144 E HA 0.347 4.697 4.350 -0.000 0.000 0.281 144 E C -2.560 173.959 176.600 -0.135 0.000 0.995 144 E CA -2.405 53.922 56.400 -0.123 0.000 0.808 144 E CB 1.591 31.166 29.700 -0.208 0.000 1.093 144 E HN -0.032 nan 8.360 nan 0.000 0.394 145 P HA -0.012 nan 4.420 nan 0.000 0.268 145 P C -0.717 176.462 177.300 -0.201 0.000 1.205 145 P CA 0.032 63.052 63.100 -0.133 0.000 0.771 145 P CB 0.458 32.092 31.700 -0.111 0.000 0.858 146 M N 3.482 122.989 119.600 -0.156 0.000 2.027 146 M HA 0.158 4.638 4.480 -0.000 0.000 0.329 146 M C -0.808 175.417 176.300 -0.126 0.000 0.971 146 M CA -0.469 54.724 55.300 -0.178 0.000 0.933 146 M CB 0.552 33.080 32.600 -0.121 0.000 1.392 146 M HN 0.312 nan 8.290 nan 0.000 0.394 147 Q N 2.508 122.215 119.800 -0.155 0.000 2.288 147 Q HA 0.219 4.559 4.340 -0.000 0.000 0.258 147 Q C 1.222 177.234 176.000 0.020 0.000 0.957 147 Q CA 0.087 55.874 55.803 -0.028 0.000 0.919 147 Q CB 1.006 29.790 28.738 0.077 0.000 1.185 147 Q HN 0.768 nan 8.270 nan 0.000 0.408 148 T N -1.506 113.064 114.554 0.028 0.000 3.014 148 T HA 0.112 4.462 4.350 -0.000 0.000 0.263 148 T C 1.250 175.984 174.700 0.057 0.000 1.078 148 T CA 0.667 62.790 62.100 0.037 0.000 1.135 148 T CB 0.075 68.958 68.868 0.025 0.000 0.895 148 T HN 0.842 nan 8.240 nan 0.000 0.480 149 G N 1.471 110.308 108.800 0.061 0.000 2.159 149 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.256 149 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.256 149 G C 0.008 174.926 174.900 0.031 0.000 0.977 149 G CA 0.121 45.252 45.100 0.052 0.000 0.652 149 G HN 0.673 nan 8.290 nan 0.000 0.531 150 I N 0.886 121.473 120.570 0.027 0.000 2.307 150 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 150 I C 1.570 177.700 176.117 0.022 0.000 1.021 150 I CA -0.794 60.517 61.300 0.019 0.000 1.224 150 I CB 1.281 39.290 38.000 0.015 0.000 1.376 150 I HN -0.018 nan 8.210 nan 0.000 0.470 151 K N 4.159 124.573 120.400 0.022 0.000 2.052 151 K HA -0.287 4.033 4.320 -0.000 0.000 0.215 151 K C 2.078 178.694 176.600 0.027 0.000 1.053 151 K CA 2.157 58.460 56.287 0.027 0.000 0.934 151 K CB -0.197 32.321 32.500 0.029 0.000 0.717 151 K HN 0.807 nan 8.250 nan 0.000 0.450 152 A N 0.671 123.506 122.820 0.025 0.000 1.930 152 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 152 A C 2.364 179.966 177.584 0.029 0.000 1.175 152 A CA 1.452 53.505 52.037 0.028 0.000 0.627 152 A CB -0.430 18.587 19.000 0.028 0.000 0.815 152 A HN 0.097 nan 8.150 nan 0.000 0.443 153 V N 0.396 120.326 119.914 0.027 0.000 2.302 153 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 153 V C 1.956 178.064 176.094 0.024 0.000 1.036 153 V CA 2.005 64.321 62.300 0.026 0.000 1.020 153 V CB -0.778 31.059 31.823 0.023 0.000 0.657 153 V HN 0.447 nan 8.190 nan 0.000 0.453 154 D N 0.478 120.892 120.400 0.024 0.000 2.263 154 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 154 D C 2.319 178.633 176.300 0.024 0.000 0.971 154 D CA 1.637 55.650 54.000 0.022 0.000 0.867 154 D CB -0.001 40.816 40.800 0.028 0.000 0.929 154 D HN 0.625 nan 8.370 nan 0.000 0.492 155 S N -0.649 115.067 115.700 0.027 0.000 2.444 155 S HA 0.078 4.548 4.470 -0.000 0.000 0.223 155 S C 2.007 176.624 174.600 0.027 0.000 1.054 155 S CA -0.051 58.166 58.200 0.029 0.000 0.947 155 S CB -0.294 62.925 63.200 0.032 0.000 0.850 155 S HN 0.156 nan 8.310 nan 0.000 0.527 156 L N 1.084 122.325 121.223 0.029 0.000 2.298 156 L HA 0.352 4.692 4.340 -0.000 0.000 0.209 156 L C 0.147 177.036 176.870 0.032 0.000 1.084 156 L CA 0.252 55.111 54.840 0.032 0.000 0.816 156 L CB 0.250 42.332 42.059 0.037 0.000 0.967 156 L HN 0.191 nan 8.230 nan 0.000 0.460 157 V N 0.943 120.875 119.914 0.030 0.000 2.454 157 V HA 0.244 4.364 4.120 -0.000 0.000 0.255 157 V C -2.381 173.725 176.094 0.020 0.000 1.009 157 V CA -1.234 61.083 62.300 0.029 0.000 1.149 157 V CB 0.198 32.042 31.823 0.036 0.000 1.418 157 V HN 0.012 nan 8.190 nan 0.000 0.567 158 P HA 0.291 nan 4.420 nan 0.000 0.271 158 P C -0.393 176.908 177.300 0.001 0.000 1.216 158 P CA 0.278 63.383 63.100 0.007 0.000 0.776 158 P CB 1.539 33.242 31.700 0.006 0.000 0.881 159 I N 1.680 122.244 120.570 -0.009 0.000 2.412 159 I HA 0.478 4.648 4.170 -0.000 0.000 0.296 159 I C 1.141 177.238 176.117 -0.033 0.000 0.987 159 I CA -0.609 60.681 61.300 -0.016 0.000 1.180 159 I CB 1.903 39.894 38.000 -0.016 0.000 1.340 159 I HN 0.324 nan 8.210 nan 0.000 0.455 160 G N 4.253 113.036 108.800 -0.029 0.000 2.461 160 G HA2 0.524 4.484 3.960 -0.000 0.000 0.329 160 G HA3 0.524 4.484 3.960 -0.000 0.000 0.329 160 G C -0.510 174.364 174.900 -0.043 0.000 1.170 160 G CA -0.813 44.263 45.100 -0.041 0.000 0.935 160 G HN 0.537 nan 8.290 nan 0.000 0.492 161 R N -0.000 120.464 120.500 -0.060 0.000 2.267 161 R HA 0.439 4.779 4.340 -0.000 0.000 0.319 161 R C 1.038 177.347 176.300 0.016 0.000 1.067 161 R CA 0.872 56.947 56.100 -0.041 0.000 0.936 161 R CB 0.946 31.184 30.300 -0.102 0.000 1.006 161 R HN 1.035 nan 8.270 nan 0.000 0.452 162 G N 1.831 110.648 108.800 0.028 0.000 2.201 162 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.212 162 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.212 162 G C 0.147 175.059 174.900 0.021 0.000 0.994 162 G CA -0.007 45.115 45.100 0.035 0.000 0.644 162 G HN 0.595 nan 8.290 nan 0.000 0.508 163 Q N 0.191 119.998 119.800 0.011 0.000 2.312 163 Q HA 0.681 5.021 4.340 -0.000 0.000 0.236 163 Q C -0.197 175.810 176.000 0.013 0.000 0.965 163 Q CA -0.458 55.351 55.803 0.010 0.000 0.894 163 Q CB 0.478 29.218 28.738 0.004 0.000 1.225 163 Q HN 0.259 nan 8.270 nan 0.000 0.478 164 R N 2.003 122.513 120.500 0.017 0.000 2.310 164 R HA 0.314 4.654 4.340 -0.000 0.000 0.324 164 R C -1.429 174.882 176.300 0.018 0.000 0.955 164 R CA -0.488 55.625 56.100 0.021 0.000 0.830 164 R CB 1.585 31.900 30.300 0.025 0.000 1.154 164 R HN 0.544 nan 8.270 nan 0.000 0.458 165 E N 2.774 122.983 120.200 0.015 0.000 2.185 165 E HA 0.274 4.624 4.350 -0.000 0.000 0.261 165 E C -1.316 175.296 176.600 0.019 0.000 0.879 165 E CA -0.924 55.487 56.400 0.018 0.000 0.756 165 E CB 0.895 30.605 29.700 0.015 0.000 1.152 165 E HN 0.332 nan 8.360 nan 0.000 0.416 166 L N 5.316 126.554 121.223 0.024 0.000 2.426 166 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 166 L C -0.867 176.025 176.870 0.037 0.000 1.169 166 L CA 0.307 55.161 54.840 0.023 0.000 0.836 166 L CB 0.459 42.532 42.059 0.024 0.000 1.112 166 L HN 0.643 nan 8.230 nan 0.000 0.465 167 I N 6.678 127.267 120.570 0.031 0.000 2.362 167 I HA 0.438 4.608 4.170 -0.000 0.000 0.289 167 I C -0.480 175.664 176.117 0.045 0.000 0.994 167 I CA -0.298 61.025 61.300 0.038 0.000 1.158 167 I CB 1.453 39.467 38.000 0.022 0.000 1.315 167 I HN 0.537 nan 8.210 nan 0.000 0.451 168 I N 5.193 125.812 120.570 0.082 0.000 2.607 168 I HA 0.854 5.024 4.170 -0.000 0.000 0.290 168 I C -0.609 175.578 176.117 0.118 0.000 1.129 168 I CA 0.026 61.403 61.300 0.128 0.000 1.042 168 I CB 2.031 40.146 38.000 0.192 0.000 1.242 168 I HN 0.731 nan 8.210 nan 0.000 0.421 169 G N 5.132 113.969 108.800 0.062 0.000 2.338 169 G HA2 0.191 4.151 3.960 -0.000 0.000 0.295 169 G HA3 0.191 4.151 3.960 -0.000 0.000 0.295 169 G C -1.815 173.068 174.900 -0.027 0.000 1.461 169 G CA -0.792 44.271 45.100 -0.061 0.000 0.817 169 G HN 0.509 nan 8.290 nan 0.000 0.556 170 D N 0.178 120.551 120.400 -0.046 0.000 2.335 170 D HA 0.249 4.889 4.640 -0.000 0.000 0.236 170 D C 1.369 177.622 176.300 -0.079 0.000 1.297 170 D CA 0.147 54.128 54.000 -0.031 0.000 0.906 170 D CB 0.411 41.192 40.800 -0.030 0.000 1.164 170 D HN 0.714 nan 8.370 nan 0.000 0.469 171 R N 0.209 120.675 120.500 -0.058 0.000 2.756 171 R HA -0.003 4.337 4.340 -0.000 0.000 0.264 171 R C -0.046 176.158 176.300 -0.160 0.000 1.026 171 R CA -0.269 55.786 56.100 -0.075 0.000 1.121 171 R CB 0.044 30.323 30.300 -0.034 0.000 0.999 171 R HN 0.182 nan 8.270 nan 0.000 0.449 172 Q N -0.088 119.605 119.800 -0.178 0.000 2.452 172 Q HA -0.158 4.182 4.340 -0.000 0.000 0.318 172 Q C 0.042 175.610 176.000 -0.721 0.000 1.386 172 Q CA 1.698 57.323 55.803 -0.297 0.000 0.872 172 Q CB -1.626 26.999 28.738 -0.188 0.000 1.151 172 Q HN 1.019 nan 8.270 nan 0.000 0.417 173 T N -5.476 108.700 114.554 -0.629 0.000 3.040 173 T HA 0.460 4.810 4.350 -0.000 0.000 0.266 173 T C 1.075 175.521 174.700 -0.423 0.000 1.005 173 T CA 0.716 62.312 62.100 -0.841 0.000 0.906 173 T CB 1.147 69.759 68.868 -0.426 0.000 1.082 173 T HN 0.863 nan 8.240 nan 0.000 0.531 174 G N 1.868 110.533 108.800 -0.226 0.000 2.135 174 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.183 174 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.183 174 G C 0.691 175.586 174.900 -0.010 0.000 1.004 174 G CA 0.203 45.306 45.100 0.005 0.000 0.677 174 G HN 0.497 nan 8.290 nan 0.000 0.512 175 K N -0.367 120.008 120.400 -0.040 0.000 1.984 175 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 175 K C 2.536 179.151 176.600 0.026 0.000 1.046 175 K CA 1.816 58.095 56.287 -0.012 0.000 0.934 175 K CB -0.395 32.093 32.500 -0.020 0.000 0.717 175 K HN 0.263 nan 8.250 nan 0.000 0.438 176 T N 1.249 115.830 114.554 0.044 0.000 2.759 176 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 176 T C 2.086 176.829 174.700 0.071 0.000 1.042 176 T CA 1.536 63.693 62.100 0.094 0.000 1.140 176 T CB -0.185 68.749 68.868 0.110 0.000 0.864 176 T HN 0.159 nan 8.240 nan 0.000 0.455 177 S N 0.993 116.714 115.700 0.034 0.000 2.382 177 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 177 S C 2.033 176.632 174.600 -0.001 0.000 1.027 177 S CA 0.621 58.819 58.200 -0.003 0.000 0.991 177 S CB -0.313 62.864 63.200 -0.037 0.000 0.823 177 S HN 0.368 nan 8.310 nan 0.000 0.469 178 I N 2.061 122.640 120.570 0.015 0.000 2.151 178 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 178 I C 2.728 178.867 176.117 0.036 0.000 1.080 178 I CA 1.548 62.859 61.300 0.020 0.000 1.339 178 I CB -1.668 36.345 38.000 0.022 0.000 1.039 178 I HN 0.257 nan 8.210 nan 0.000 0.409 179 A N 1.118 123.974 122.820 0.059 0.000 1.902 179 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 179 A C 2.227 179.863 177.584 0.086 0.000 1.181 179 A CA 1.240 53.329 52.037 0.087 0.000 0.623 179 A CB -0.528 18.562 19.000 0.150 0.000 0.818 179 A HN 0.265 nan 8.150 nan 0.000 0.443 180 I N 0.682 121.295 120.570 0.071 0.000 2.179 180 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 180 I C 1.790 177.957 176.117 0.084 0.000 1.088 180 I CA 1.689 63.026 61.300 0.062 0.000 1.357 180 I CB -1.673 36.375 38.000 0.080 0.000 1.051 180 I HN 0.260 nan 8.210 nan 0.000 0.409 181 D N 0.377 120.813 120.400 0.060 0.000 2.178 181 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 181 D C 2.192 178.534 176.300 0.070 0.000 0.980 181 D CA 1.317 55.352 54.000 0.058 0.000 0.842 181 D CB -0.175 40.627 40.800 0.003 0.000 0.948 181 D HN 0.270 nan 8.370 nan 0.000 0.472 182 T N 0.447 115.039 114.554 0.064 0.000 2.777 182 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 182 T C 2.160 176.916 174.700 0.094 0.000 1.040 182 T CA 0.480 62.620 62.100 0.066 0.000 1.141 182 T CB -0.116 68.779 68.868 0.045 0.000 0.868 182 T HN 0.158 nan 8.240 nan 0.000 0.444 183 I N 0.632 121.267 120.570 0.110 0.000 2.142 183 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 183 I C 2.241 178.502 176.117 0.239 0.000 1.078 183 I CA 1.452 62.852 61.300 0.167 0.000 1.343 183 I CB -0.341 37.731 38.000 0.121 0.000 1.046 183 I HN 0.205 nan 8.210 nan 0.000 0.405 184 I N 0.776 121.445 120.570 0.166 0.000 2.361 184 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 184 I C 2.190 178.409 176.117 0.170 0.000 1.133 184 I CA 1.230 62.630 61.300 0.168 0.000 1.413 184 I CB -0.547 37.525 38.000 0.120 0.000 1.073 184 I HN 0.320 nan 8.210 nan 0.000 0.424 185 N N 0.686 119.470 118.700 0.140 0.000 2.205 185 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 185 N C 1.831 177.434 175.510 0.156 0.000 1.015 185 N CA 1.253 54.377 53.050 0.124 0.000 0.862 185 N CB 0.045 38.614 38.487 0.136 0.000 0.986 185 N HN 0.233 nan 8.380 nan 0.000 0.429 186 Q N 0.475 120.370 119.800 0.157 0.000 2.291 186 Q HA -0.087 4.253 4.340 -0.000 0.000 0.205 186 Q C 1.704 177.661 176.000 -0.071 0.000 0.970 186 Q CA 0.621 56.480 55.803 0.094 0.000 0.876 186 Q CB -0.297 28.298 28.738 -0.238 0.000 0.935 186 Q HN 0.501 nan 8.270 nan 0.000 0.455 187 K N 1.496 121.892 120.400 -0.006 0.000 2.127 187 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 187 K C 1.987 178.529 176.600 -0.096 0.000 1.047 187 K CA 1.753 58.059 56.287 0.031 0.000 0.927 187 K CB 0.029 32.621 32.500 0.153 0.000 0.716 187 K HN 0.288 nan 8.250 nan 0.000 0.450 188 R N -0.841 119.531 120.500 -0.213 0.000 2.120 188 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 188 R C 1.976 178.004 176.300 -0.453 0.000 1.123 188 R CA 1.663 57.529 56.100 -0.390 0.000 0.975 188 R CB -0.611 29.343 30.300 -0.576 0.000 0.866 188 R HN 0.140 nan 8.270 nan 0.000 0.446 189 F N 1.414 121.277 119.950 -0.145 0.000 2.219 189 F HA 0.138 4.665 4.527 0.000 0.000 0.294 189 F C 1.725 177.407 175.800 -0.197 0.000 1.086 189 F CA 0.366 58.268 58.000 -0.164 0.000 1.330 189 F CB -0.310 38.575 39.000 -0.190 0.000 1.047 189 F HN -0.046 nan 8.300 nan 0.000 0.495 190 N N 0.054 118.696 118.700 -0.098 0.000 2.512 190 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 190 N C 0.953 176.407 175.510 -0.092 0.000 1.073 190 N CA 0.866 53.793 53.050 -0.205 0.000 0.911 190 N CB -0.382 37.816 38.487 -0.481 0.000 0.964 190 N HN 0.236 nan 8.380 nan 0.000 0.447 191 D N -0.193 120.167 120.400 -0.066 0.000 2.271 191 D HA 0.062 4.702 4.640 -0.000 0.000 0.206 191 D C 1.317 177.596 176.300 -0.035 0.000 0.967 191 D CA 0.357 54.336 54.000 -0.035 0.000 0.867 191 D CB -0.197 40.581 40.800 -0.038 0.000 0.960 191 D HN 0.139 nan 8.370 nan 0.000 0.509 192 G N -0.099 108.673 108.800 -0.045 0.000 2.583 192 G HA2 0.187 4.147 3.960 -0.000 0.000 0.275 192 G HA3 0.187 4.147 3.960 -0.000 0.000 0.275 192 G C 1.110 176.004 174.900 -0.010 0.000 1.342 192 G CA 0.667 45.749 45.100 -0.030 0.000 1.030 192 G HN 0.175 nan 8.290 nan 0.000 0.520 193 T N -2.345 112.208 114.554 -0.002 0.000 3.039 193 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 193 T C 0.871 175.581 174.700 0.017 0.000 1.052 193 T CA 0.446 62.552 62.100 0.009 0.000 1.125 193 T CB -0.043 68.830 68.868 0.008 0.000 0.908 193 T HN 0.393 nan 8.240 nan 0.000 0.473 194 D N 2.605 123.015 120.400 0.018 0.000 2.433 194 D HA -0.019 4.621 4.640 -0.000 0.000 0.274 194 D C 1.137 177.455 176.300 0.030 0.000 1.344 194 D CA 0.142 54.158 54.000 0.026 0.000 0.989 194 D CB 0.366 41.184 40.800 0.031 0.000 1.116 194 D HN 0.158 nan 8.370 nan 0.000 0.533 195 E N 3.197 123.420 120.200 0.039 0.000 2.274 195 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 195 E C 1.446 178.092 176.600 0.077 0.000 0.996 195 E CA 0.605 57.039 56.400 0.058 0.000 0.840 195 E CB 0.220 29.964 29.700 0.074 0.000 0.772 195 E HN 0.591 nan 8.360 nan 0.000 0.491 196 K N 0.515 120.954 120.400 0.066 0.000 2.097 196 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 196 K C 1.922 178.510 176.600 -0.019 0.000 1.050 196 K CA 0.790 57.124 56.287 0.078 0.000 0.938 196 K CB 0.017 32.544 32.500 0.045 0.000 0.718 196 K HN -0.034 nan 8.250 nan 0.000 0.442 197 K N 1.164 121.535 120.400 -0.047 0.000 2.486 197 K HA 0.021 4.341 4.320 -0.000 0.000 0.194 197 K C 0.215 176.700 176.600 -0.192 0.000 1.033 197 K CA 0.333 56.537 56.287 -0.138 0.000 1.004 197 K CB 0.211 32.720 32.500 0.016 0.000 0.798 197 K HN 0.095 nan 8.250 nan 0.000 0.495 198 K N 1.323 121.654 120.400 -0.116 0.000 2.295 198 K HA 0.137 4.457 4.320 -0.000 0.000 0.270 198 K C -0.607 175.822 176.600 -0.286 0.000 1.011 198 K CA -0.227 55.926 56.287 -0.222 0.000 0.953 198 K CB 0.701 33.046 32.500 -0.257 0.000 0.956 198 K HN -0.130 nan 8.250 nan 0.000 0.477 199 L N 3.880 124.842 121.223 -0.435 0.000 2.446 199 L HA 0.292 4.632 4.340 -0.000 0.000 0.268 199 L C -1.552 175.046 176.870 -0.452 0.000 0.975 199 L CA -0.442 54.191 54.840 -0.344 0.000 0.848 199 L CB 0.748 42.640 42.059 -0.279 0.000 1.225 199 L HN 0.433 nan 8.230 nan 0.000 0.410 200 Y N 3.069 123.198 120.300 -0.284 0.000 2.304 200 Y HA 0.483 5.033 4.550 -0.000 0.000 0.327 200 Y C 0.469 176.249 175.900 -0.201 0.000 1.209 200 Y CA -0.070 57.830 58.100 -0.333 0.000 1.299 200 Y CB 0.955 38.887 38.460 -0.880 0.000 1.249 200 Y HN 0.504 nan 8.280 nan 0.000 0.519 201 C N 3.822 123.196 119.300 0.124 0.000 2.455 201 C HA 0.715 5.175 4.460 -0.000 0.000 0.320 201 C C -0.467 174.585 174.990 0.102 0.000 1.226 201 C CA -1.028 58.060 59.018 0.118 0.000 1.569 201 C CB 0.235 28.102 27.740 0.212 0.000 2.200 201 C HN 0.588 nan 8.230 nan 0.000 0.491 202 I N 2.496 123.104 120.570 0.065 0.000 2.466 202 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 202 I C -0.889 175.257 176.117 0.048 0.000 1.026 202 I CA -0.342 60.994 61.300 0.059 0.000 1.078 202 I CB 1.116 39.136 38.000 0.033 0.000 1.249 202 I HN 0.631 nan 8.210 nan 0.000 0.429 203 Y N 6.771 127.045 120.300 -0.043 0.000 2.345 203 Y HA 0.657 5.207 4.550 0.000 0.000 0.331 203 Y C -0.870 175.006 175.900 -0.041 0.000 0.959 203 Y CA -0.871 57.197 58.100 -0.055 0.000 1.204 203 Y CB 1.199 39.642 38.460 -0.028 0.000 1.135 203 Y HN 0.298 nan 8.280 nan 0.000 0.477 204 V N 6.441 126.104 119.914 -0.418 0.000 2.348 204 V HA 0.576 4.696 4.120 -0.000 0.000 0.270 204 V C 0.231 176.077 176.094 -0.414 0.000 1.037 204 V CA -0.589 61.551 62.300 -0.267 0.000 0.872 204 V CB 0.515 32.279 31.823 -0.098 0.000 1.002 204 V HN 0.912 nan 8.190 nan 0.000 0.464 205 A N 6.861 129.575 122.820 -0.178 0.000 2.276 205 A HA 0.819 5.139 4.320 -0.000 0.000 0.300 205 A C -0.558 177.015 177.584 -0.017 0.000 1.235 205 A CA -0.268 51.731 52.037 -0.064 0.000 0.867 205 A CB -0.026 19.077 19.000 0.172 0.000 1.137 205 A HN 0.756 nan 8.150 nan 0.000 0.527 206 I N 2.059 122.616 120.570 -0.021 0.000 2.410 206 I HA 0.554 4.724 4.170 -0.000 0.000 0.286 206 I C 1.129 177.270 176.117 0.040 0.000 1.009 206 I CA 0.474 61.782 61.300 0.013 0.000 1.111 206 I CB 1.755 39.754 38.000 -0.002 0.000 1.262 206 I HN 0.969 nan 8.210 nan 0.000 0.443 207 G N 3.605 112.439 108.800 0.057 0.000 2.189 207 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 207 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 207 G C 0.404 175.340 174.900 0.059 0.000 0.975 207 G CA 0.034 45.171 45.100 0.062 0.000 0.644 207 G HN 0.608 nan 8.290 nan 0.000 0.537 208 Q N 0.056 119.894 119.800 0.062 0.000 2.584 208 Q HA 0.404 4.744 4.340 -0.000 0.000 0.218 208 Q C 0.324 176.360 176.000 0.060 0.000 1.079 208 Q CA -0.042 55.801 55.803 0.067 0.000 1.008 208 Q CB 0.584 29.377 28.738 0.091 0.000 1.267 208 Q HN 0.411 nan 8.270 nan 0.000 0.586 209 K N 1.008 121.442 120.400 0.056 0.000 2.350 209 K HA 0.022 4.342 4.320 -0.000 0.000 0.279 209 K C 0.979 177.609 176.600 0.050 0.000 1.027 209 K CA -0.039 56.277 56.287 0.047 0.000 0.969 209 K CB 0.689 33.213 32.500 0.040 0.000 0.954 209 K HN 0.479 nan 8.250 nan 0.000 0.474 210 R N 1.864 122.389 120.500 0.043 0.000 2.091 210 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 210 R C 1.971 178.290 176.300 0.032 0.000 1.136 210 R CA 2.268 58.392 56.100 0.040 0.000 0.959 210 R CB -0.125 30.195 30.300 0.034 0.000 0.856 210 R HN 0.830 nan 8.270 nan 0.000 0.437 211 S N -0.702 115.014 115.700 0.027 0.000 2.370 211 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 211 S C 1.900 176.511 174.600 0.017 0.000 1.033 211 S CA 1.792 60.003 58.200 0.019 0.000 1.011 211 S CB -0.737 62.474 63.200 0.018 0.000 0.852 211 S HN 0.356 nan 8.310 nan 0.000 0.457 212 T N 2.434 117.005 114.554 0.028 0.000 2.720 212 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 212 T C 1.936 176.647 174.700 0.018 0.000 1.037 212 T CA 1.582 63.700 62.100 0.030 0.000 1.144 212 T CB -0.657 68.241 68.868 0.050 0.000 0.864 212 T HN 0.348 nan 8.240 nan 0.000 0.444 213 V N 1.797 121.731 119.914 0.034 0.000 2.307 213 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 213 V C 2.940 179.026 176.094 -0.014 0.000 1.045 213 V CA 1.524 63.839 62.300 0.025 0.000 1.024 213 V CB -1.396 30.471 31.823 0.073 0.000 0.651 213 V HN 0.516 nan 8.190 nan 0.000 0.449 214 A N -0.362 122.456 122.820 -0.003 0.000 1.892 214 A HA -0.341 3.979 4.320 -0.000 0.000 0.218 214 A C 2.199 179.762 177.584 -0.034 0.000 1.188 214 A CA 2.324 54.352 52.037 -0.015 0.000 0.631 214 A CB -0.606 18.390 19.000 -0.006 0.000 0.822 214 A HN 0.626 nan 8.150 nan 0.000 0.447 215 Q N -0.989 118.793 119.800 -0.031 0.000 2.224 215 Q HA -0.037 4.303 4.340 -0.000 0.000 0.203 215 Q C 2.073 178.032 176.000 -0.070 0.000 0.970 215 Q CA 0.924 56.702 55.803 -0.042 0.000 0.865 215 Q CB -0.181 28.544 28.738 -0.022 0.000 0.922 215 Q HN 0.611 nan 8.270 nan 0.000 0.445 216 L N 0.164 121.337 121.223 -0.084 0.000 2.044 216 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 216 L C 2.118 178.895 176.870 -0.156 0.000 1.075 216 L CA 1.366 56.120 54.840 -0.142 0.000 0.747 216 L CB -0.573 41.350 42.059 -0.227 0.000 0.903 216 L HN 0.131 nan 8.230 nan 0.000 0.435 217 V N 0.476 120.313 119.914 -0.128 0.000 2.332 217 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 217 V C 2.744 178.775 176.094 -0.104 0.000 1.055 217 V CA 1.808 64.042 62.300 -0.110 0.000 1.038 217 V CB -0.701 31.079 31.823 -0.071 0.000 0.651 217 V HN 0.444 nan 8.190 nan 0.000 0.450 218 K N 0.257 120.601 120.400 -0.092 0.000 2.063 218 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 218 K C 2.340 178.867 176.600 -0.123 0.000 1.048 218 K CA 1.863 58.094 56.287 -0.093 0.000 0.928 218 K CB -0.198 32.256 32.500 -0.077 0.000 0.713 218 K HN 0.270 nan 8.250 nan 0.000 0.442 219 R N 1.109 121.522 120.500 -0.146 0.000 2.081 219 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 219 R C 2.290 178.484 176.300 -0.176 0.000 1.131 219 R CA 1.304 57.283 56.100 -0.202 0.000 0.960 219 R CB -0.584 29.581 30.300 -0.225 0.000 0.856 219 R HN 0.236 nan 8.270 nan 0.000 0.436 220 L N -0.628 120.504 121.223 -0.151 0.000 2.156 220 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 220 L C 2.078 178.856 176.870 -0.153 0.000 1.095 220 L CA 1.593 56.342 54.840 -0.152 0.000 0.770 220 L CB -0.564 41.392 42.059 -0.172 0.000 0.914 220 L HN 0.244 nan 8.230 nan 0.000 0.439 221 T N -1.007 113.468 114.554 -0.133 0.000 2.701 221 T HA -0.173 4.177 4.350 -0.000 0.000 0.263 221 T C 1.434 176.073 174.700 -0.100 0.000 1.040 221 T CA 1.450 63.484 62.100 -0.111 0.000 1.147 221 T CB -0.273 68.542 68.868 -0.089 0.000 0.865 221 T HN 0.261 nan 8.240 nan 0.000 0.426 222 D N 1.653 121.989 120.400 -0.108 0.000 2.133 222 D HA -0.066 4.574 4.640 -0.000 0.000 0.195 222 D C 2.028 178.271 176.300 -0.094 0.000 0.997 222 D CA 1.340 55.278 54.000 -0.104 0.000 0.840 222 D CB -0.378 40.341 40.800 -0.135 0.000 0.947 222 D HN 0.455 nan 8.370 nan 0.000 0.452 223 A N 0.003 122.762 122.820 -0.101 0.000 2.238 223 A HA 0.037 4.357 4.320 -0.000 0.000 0.208 223 A C 0.529 178.081 177.584 -0.053 0.000 1.177 223 A CA 0.684 52.681 52.037 -0.067 0.000 0.804 223 A CB -0.098 18.872 19.000 -0.051 0.000 0.823 223 A HN 0.127 nan 8.150 nan 0.000 0.482 224 D N -2.870 117.485 120.400 -0.077 0.000 2.772 224 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 224 D C 0.716 176.942 176.300 -0.122 0.000 1.143 224 D CA 1.065 55.020 54.000 -0.074 0.000 0.700 224 D CB -1.177 39.605 40.800 -0.029 0.000 1.076 224 D HN 0.505 nan 8.370 nan 0.000 0.430 225 A N -0.793 121.880 122.820 -0.246 0.000 2.229 225 A HA 0.197 4.517 4.320 -0.000 0.000 0.211 225 A C 1.852 178.893 177.584 -0.906 0.000 1.193 225 A CA 0.810 52.481 52.037 -0.609 0.000 0.879 225 A CB -0.059 18.760 19.000 -0.301 0.000 0.911 225 A HN 0.310 nan 8.150 nan 0.000 0.492 226 M N 1.442 120.778 119.600 -0.439 0.000 2.213 226 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 226 M C 1.952 178.095 176.300 -0.263 0.000 1.062 226 M CA 1.945 57.062 55.300 -0.306 0.000 1.105 226 M CB -0.499 31.998 32.600 -0.171 0.000 1.385 226 M HN 0.495 nan 8.290 nan 0.000 0.417 227 K N -0.386 119.869 120.400 -0.242 0.000 2.281 227 K HA -0.195 4.125 4.320 -0.000 0.000 0.203 227 K C 0.696 177.318 176.600 0.038 0.000 1.046 227 K CA 1.813 58.057 56.287 -0.071 0.000 0.938 227 K CB -0.905 31.594 32.500 -0.002 0.000 0.737 227 K HN 0.627 nan 8.250 nan 0.000 0.458 228 Y N -0.057 120.270 120.300 0.045 0.000 2.636 228 Y HA 0.456 5.006 4.550 -0.000 0.000 0.260 228 Y C -0.530 175.413 175.900 0.070 0.000 1.177 228 Y CA -1.057 57.086 58.100 0.073 0.000 1.209 228 Y CB 0.009 38.455 38.460 -0.024 0.000 1.166 228 Y HN -0.224 nan 8.280 nan 0.000 0.531 229 T N 2.739 117.300 114.554 0.011 0.000 2.824 229 T HA 0.571 4.921 4.350 -0.000 0.000 0.282 229 T C -0.496 174.240 174.700 0.060 0.000 0.993 229 T CA -0.430 61.691 62.100 0.034 0.000 0.967 229 T CB 1.656 70.474 68.868 -0.083 0.000 0.960 229 T HN 0.153 nan 8.240 nan 0.000 0.441 230 I N 2.737 123.365 120.570 0.098 0.000 2.321 230 I HA 0.421 4.591 4.170 -0.000 0.000 0.291 230 I C -0.397 175.775 176.117 0.092 0.000 0.998 230 I CA -0.966 60.388 61.300 0.091 0.000 1.227 230 I CB 1.491 39.560 38.000 0.115 0.000 1.368 230 I HN 0.234 nan 8.210 nan 0.000 0.466 231 V N 7.461 127.422 119.914 0.079 0.000 2.347 231 V HA 0.316 4.436 4.120 -0.000 0.000 0.280 231 V C 0.021 176.167 176.094 0.087 0.000 1.021 231 V CA -0.621 61.749 62.300 0.116 0.000 0.847 231 V CB 1.666 33.547 31.823 0.096 0.000 0.990 231 V HN 0.410 nan 8.190 nan 0.000 0.444 232 V N 3.958 123.922 119.914 0.084 0.000 2.398 232 V HA 0.560 4.680 4.120 -0.000 0.000 0.286 232 V C 0.170 176.294 176.094 0.051 0.000 1.026 232 V CA -0.198 62.129 62.300 0.045 0.000 0.868 232 V CB 1.671 33.504 31.823 0.018 0.000 0.982 232 V HN 0.809 nan 8.190 nan 0.000 0.443 233 S N 3.584 119.313 115.700 0.048 0.000 2.756 233 S HA 0.771 5.241 4.470 -0.000 0.000 0.303 233 S C -0.371 174.257 174.600 0.047 0.000 1.135 233 S CA -0.164 58.072 58.200 0.059 0.000 1.066 233 S CB 1.045 64.286 63.200 0.069 0.000 1.008 233 S HN 1.112 nan 8.310 nan 0.000 0.482 234 A N 4.145 126.993 122.820 0.048 0.000 2.483 234 A HA 0.656 4.976 4.320 -0.000 0.000 0.308 234 A C 0.308 177.928 177.584 0.061 0.000 1.291 234 A CA -0.622 51.449 52.037 0.056 0.000 0.774 234 A CB 0.338 19.374 19.000 0.061 0.000 1.134 234 A HN 0.770 nan 8.150 nan 0.000 0.471 235 T N -1.131 113.460 114.554 0.062 0.000 2.880 235 T HA 0.621 4.971 4.350 -0.000 0.000 0.279 235 T C 1.560 176.296 174.700 0.059 0.000 0.990 235 T CA 0.055 62.192 62.100 0.061 0.000 0.938 235 T CB 1.010 69.913 68.868 0.058 0.000 1.206 235 T HN 1.101 nan 8.240 nan 0.000 0.573 236 A N 0.610 123.462 122.820 0.055 0.000 2.032 236 A HA -0.058 4.262 4.320 -0.000 0.000 0.221 236 A C 2.357 179.969 177.584 0.048 0.000 1.165 236 A CA 2.076 54.144 52.037 0.051 0.000 0.645 236 A CB -1.316 17.712 19.000 0.046 0.000 0.807 236 A HN 1.077 nan 8.150 nan 0.000 0.453 237 S N -1.046 114.682 115.700 0.045 0.000 2.524 237 S HA 0.107 4.577 4.470 -0.000 0.000 0.215 237 S C -0.065 174.563 174.600 0.046 0.000 0.986 237 S CA -0.343 57.881 58.200 0.041 0.000 0.911 237 S CB -0.091 63.129 63.200 0.033 0.000 0.805 237 S HN 0.374 nan 8.310 nan 0.000 0.501 238 D N 3.002 123.436 120.400 0.057 0.000 2.382 238 D HA 0.478 5.118 4.640 -0.000 0.000 0.245 238 D C 0.317 176.665 176.300 0.079 0.000 1.120 238 D CA 0.258 54.299 54.000 0.068 0.000 0.890 238 D CB 1.363 42.209 40.800 0.076 0.000 1.201 238 D HN 0.454 nan 8.370 nan 0.000 0.433 239 A N 1.771 124.642 122.820 0.085 0.000 2.498 239 A HA 0.340 4.660 4.320 -0.000 0.000 0.239 239 A C 1.475 179.132 177.584 0.121 0.000 1.068 239 A CA 0.349 52.437 52.037 0.085 0.000 0.766 239 A CB 0.345 19.389 19.000 0.073 0.000 1.003 239 A HN 0.645 nan 8.150 nan 0.000 0.497 240 A N 3.713 126.594 122.820 0.103 0.000 1.915 240 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 240 A C -0.161 177.557 177.584 0.223 0.000 1.198 240 A CA 2.341 54.459 52.037 0.135 0.000 0.647 240 A CB -1.796 17.255 19.000 0.085 0.000 0.825 240 A HN 0.654 nan 8.150 nan 0.000 0.456 241 P HA -0.091 nan 4.420 nan 0.000 0.220 241 P C 1.370 179.026 177.300 0.594 0.000 1.148 241 P CA 0.748 64.089 63.100 0.401 0.000 0.803 241 P CB -0.109 31.718 31.700 0.211 0.000 0.782 242 L N -0.882 120.584 121.223 0.405 0.000 2.056 242 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 242 L C 2.619 179.609 176.870 0.200 0.000 1.078 242 L CA 1.567 56.574 54.840 0.278 0.000 0.749 242 L CB -0.947 41.226 42.059 0.190 0.000 0.901 242 L HN -0.014 nan 8.230 nan 0.000 0.433 243 Q N -1.102 118.820 119.800 0.203 0.000 2.124 243 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 243 Q C 2.092 178.206 176.000 0.191 0.000 0.977 243 Q CA 1.941 57.840 55.803 0.160 0.000 0.850 243 Q CB -0.386 28.442 28.738 0.150 0.000 0.901 243 Q HN 0.527 nan 8.270 nan 0.000 0.429 244 Y N 1.433 121.834 120.300 0.168 0.000 2.145 244 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 244 Y C 2.023 178.070 175.900 0.245 0.000 1.145 244 Y CA 1.367 59.595 58.100 0.214 0.000 1.148 244 Y CB -0.340 38.299 38.460 0.300 0.000 0.981 244 Y HN 0.105 nan 8.280 nan 0.000 0.507 245 L N 1.135 122.382 121.223 0.040 0.000 2.093 245 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 245 L C 2.529 179.361 176.870 -0.065 0.000 1.085 245 L CA 1.986 56.770 54.840 -0.093 0.000 0.755 245 L CB -1.355 40.624 42.059 -0.133 0.000 0.904 245 L HN 0.329 nan 8.230 nan 0.000 0.435 246 A N 0.346 123.133 122.820 -0.053 0.000 1.915 246 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 246 A C 0.114 177.636 177.584 -0.104 0.000 1.198 246 A CA 2.434 54.435 52.037 -0.060 0.000 0.647 246 A CB -2.231 16.756 19.000 -0.023 0.000 0.825 246 A HN 0.477 nan 8.150 nan 0.000 0.456 247 P HA -0.139 nan 4.420 nan 0.000 0.216 247 P C 0.955 178.054 177.300 -0.335 0.000 1.153 247 P CA 1.325 64.232 63.100 -0.321 0.000 0.848 247 P CB -0.237 31.007 31.700 -0.761 0.000 0.787 248 Y N -0.284 119.913 120.300 -0.171 0.000 2.145 248 Y HA -0.151 4.399 4.550 -0.000 0.000 0.286 248 Y C 2.683 178.533 175.900 -0.083 0.000 1.145 248 Y CA 1.317 59.326 58.100 -0.152 0.000 1.148 248 Y CB -1.405 36.913 38.460 -0.237 0.000 0.981 248 Y HN -0.102 nan 8.280 nan 0.000 0.507 249 S N 0.142 115.867 115.700 0.041 0.000 2.359 249 S HA -0.249 4.221 4.470 -0.000 0.000 0.222 249 S C 2.428 177.041 174.600 0.021 0.000 1.038 249 S CA 1.512 59.714 58.200 0.003 0.000 1.051 249 S CB -1.216 61.961 63.200 -0.037 0.000 0.944 249 S HN 0.684 nan 8.310 nan 0.000 0.433 250 G N -0.102 108.715 108.800 0.027 0.000 2.442 250 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 250 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 250 G C 1.729 176.673 174.900 0.073 0.000 1.141 250 G CA 1.108 46.234 45.100 0.044 0.000 0.763 250 G HN 0.603 nan 8.290 nan 0.000 0.554 251 C N 0.229 119.594 119.300 0.108 0.000 2.432 251 C HA 0.012 4.472 4.460 -0.000 0.000 0.277 251 C C 3.225 178.276 174.990 0.101 0.000 1.249 251 C CA 1.666 60.763 59.018 0.130 0.000 1.725 251 C CB -0.962 26.867 27.740 0.147 0.000 2.028 251 C HN 0.354 nan 8.230 nan 0.000 0.477 252 S N 0.549 116.296 115.700 0.078 0.000 2.359 252 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 252 S C 1.765 176.402 174.600 0.061 0.000 1.035 252 S CA 2.254 60.489 58.200 0.058 0.000 1.018 252 S CB -0.425 62.794 63.200 0.032 0.000 0.876 252 S HN 0.676 nan 8.310 nan 0.000 0.448 253 M N 0.635 120.267 119.600 0.054 0.000 2.195 253 M HA -0.115 4.365 4.480 -0.000 0.000 0.260 253 M C 2.298 178.706 176.300 0.180 0.000 1.066 253 M CA 1.562 56.897 55.300 0.058 0.000 1.089 253 M CB -0.702 31.935 32.600 0.063 0.000 1.377 253 M HN 0.451 nan 8.290 nan 0.000 0.411 254 G N -0.403 108.521 108.800 0.207 0.000 2.430 254 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 254 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 254 G C 1.343 176.398 174.900 0.258 0.000 1.146 254 G CA 0.301 45.580 45.100 0.300 0.000 0.793 254 G HN 0.476 nan 8.290 nan 0.000 0.537 255 E N -0.552 119.737 120.200 0.149 0.000 2.150 255 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 255 E C 1.894 178.523 176.600 0.049 0.000 0.985 255 E CA 0.477 56.931 56.400 0.090 0.000 0.814 255 E CB -0.218 29.519 29.700 0.062 0.000 0.752 255 E HN 0.556 nan 8.360 nan 0.000 0.466 256 Y N 0.710 120.940 120.300 -0.117 0.000 2.102 256 Y HA -0.331 4.219 4.550 0.000 0.000 0.280 256 Y C 1.706 177.419 175.900 -0.312 0.000 1.178 256 Y CA 1.896 59.826 58.100 -0.283 0.000 1.146 256 Y CB -0.439 37.720 38.460 -0.502 0.000 0.968 256 Y HN -0.032 nan 8.280 nan 0.000 0.504 257 F N -0.232 119.670 119.950 -0.080 0.000 2.163 257 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 257 F C 2.766 178.457 175.800 -0.182 0.000 1.094 257 F CA 1.562 59.445 58.000 -0.196 0.000 1.290 257 F CB -0.721 38.245 39.000 -0.057 0.000 1.017 257 F HN -0.120 nan 8.300 nan 0.000 0.483 258 R N 0.709 121.263 120.500 0.090 0.000 2.103 258 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 258 R C 1.289 177.560 176.300 -0.047 0.000 1.142 258 R CA 2.272 58.382 56.100 0.016 0.000 0.960 258 R CB -0.429 29.897 30.300 0.043 0.000 0.858 258 R HN 0.196 nan 8.270 nan 0.000 0.439 259 D N -0.322 120.031 120.400 -0.079 0.000 2.333 259 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 259 D C 0.301 176.523 176.300 -0.129 0.000 0.984 259 D CA 0.536 54.492 54.000 -0.075 0.000 0.873 259 D CB 0.003 40.768 40.800 -0.059 0.000 0.935 259 D HN 0.212 nan 8.370 nan 0.000 0.521 260 N N 0.314 118.877 118.700 -0.230 0.000 2.376 260 N HA 0.150 4.890 4.740 -0.000 0.000 0.249 260 N C 0.856 176.269 175.510 -0.162 0.000 1.140 260 N CA 0.119 53.019 53.050 -0.249 0.000 0.870 260 N CB 1.020 39.224 38.487 -0.471 0.000 1.124 260 N HN 0.073 nan 8.380 nan 0.000 0.505 261 G N 0.947 109.671 108.800 -0.127 0.000 2.203 261 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 261 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 261 G C 0.174 174.968 174.900 -0.178 0.000 1.012 261 G CA 0.616 45.642 45.100 -0.123 0.000 0.749 261 G HN 0.342 nan 8.290 nan 0.000 0.512 262 K N -0.628 119.663 120.400 -0.182 0.000 2.280 262 K HA 0.642 4.962 4.320 -0.000 0.000 0.234 262 K C -0.466 175.953 176.600 -0.302 0.000 1.028 262 K CA -0.989 55.231 56.287 -0.111 0.000 0.882 262 K CB 1.209 33.817 32.500 0.180 0.000 1.194 262 K HN 0.307 nan 8.250 nan 0.000 0.458 263 H N -0.345 118.826 119.070 0.168 0.000 2.529 263 H HA 0.518 5.074 4.556 -0.000 0.000 0.348 263 H C -0.984 174.379 175.328 0.059 0.000 1.079 263 H CA -0.690 55.404 56.048 0.078 0.000 1.198 263 H CB 1.995 31.751 29.762 -0.011 0.000 1.521 263 H HN 0.690 nan 8.280 nan 0.000 0.514 264 A N 2.869 125.769 122.820 0.132 0.000 2.413 264 A HA 0.578 4.898 4.320 -0.000 0.000 0.307 264 A C -1.383 176.217 177.584 0.026 0.000 1.087 264 A CA -0.685 51.371 52.037 0.032 0.000 0.750 264 A CB 1.965 21.010 19.000 0.076 0.000 1.296 264 A HN 0.448 nan 8.150 nan 0.000 0.423 265 L N 1.721 122.937 121.223 -0.010 0.000 2.381 265 L HA 0.789 5.129 4.340 -0.000 0.000 0.274 265 L C -1.081 175.754 176.870 -0.058 0.000 0.988 265 L CA -0.406 54.416 54.840 -0.031 0.000 0.824 265 L CB 1.277 43.318 42.059 -0.030 0.000 1.263 265 L HN 0.710 nan 8.230 nan 0.000 0.410 266 I N 5.122 125.609 120.570 -0.138 0.000 2.530 266 I HA 0.597 4.767 4.170 -0.000 0.000 0.297 266 I C -1.222 174.634 176.117 -0.434 0.000 1.011 266 I CA -0.653 60.472 61.300 -0.293 0.000 1.107 266 I CB 1.657 39.411 38.000 -0.410 0.000 1.285 266 I HN 0.650 nan 8.210 nan 0.000 0.436 267 I N 6.920 127.208 120.570 -0.469 0.000 2.465 267 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 267 I C -1.407 174.352 176.117 -0.596 0.000 1.014 267 I CA -0.351 60.691 61.300 -0.430 0.000 1.093 267 I CB 1.696 39.601 38.000 -0.158 0.000 1.267 267 I HN 0.407 nan 8.210 nan 0.000 0.431 268 Y N 3.972 124.136 120.300 -0.227 0.000 2.491 268 Y HA 0.355 4.905 4.550 0.000 0.000 0.334 268 Y C -0.243 175.502 175.900 -0.258 0.000 0.969 268 Y CA -0.689 57.252 58.100 -0.266 0.000 1.241 268 Y CB 0.920 39.234 38.460 -0.243 0.000 1.105 268 Y HN 0.402 nan 8.280 nan 0.000 0.503 269 D N 3.886 124.162 120.400 -0.207 0.000 2.438 269 D HA 0.184 4.824 4.640 -0.000 0.000 0.257 269 D C -1.362 174.880 176.300 -0.095 0.000 1.148 269 D CA -0.411 53.489 54.000 -0.166 0.000 0.902 269 D CB 0.422 41.073 40.800 -0.247 0.000 1.062 269 D HN 0.698 nan 8.370 nan 0.000 0.518 270 D N 0.382 120.758 120.400 -0.040 0.000 2.552 270 D HA 0.254 4.894 4.640 -0.000 0.000 0.239 270 D C 0.938 177.207 176.300 -0.051 0.000 1.139 270 D CA -0.752 53.224 54.000 -0.039 0.000 0.914 270 D CB 1.226 42.016 40.800 -0.016 0.000 1.461 270 D HN 0.069 nan 8.370 nan 0.000 0.462 271 L N 0.293 121.448 121.223 -0.113 0.000 2.291 271 L HA -0.049 4.291 4.340 -0.000 0.000 0.214 271 L C 1.898 178.744 176.870 -0.039 0.000 1.120 271 L CA 0.599 55.319 54.840 -0.199 0.000 0.799 271 L CB -0.393 41.316 42.059 -0.584 0.000 0.925 271 L HN 0.450 nan 8.230 nan 0.000 0.446 272 S N 0.326 116.021 115.700 -0.009 0.000 2.353 272 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 272 S C 1.932 176.604 174.600 0.121 0.000 1.035 272 S CA 1.468 59.709 58.200 0.069 0.000 1.025 272 S CB -0.140 63.097 63.200 0.061 0.000 0.902 272 S HN 0.386 nan 8.310 nan 0.000 0.440 273 K N 0.843 121.296 120.400 0.090 0.000 2.211 273 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 273 K C 2.447 179.127 176.600 0.132 0.000 1.050 273 K CA 0.740 57.089 56.287 0.104 0.000 0.945 273 K CB -0.117 32.427 32.500 0.073 0.000 0.732 273 K HN 0.350 nan 8.250 nan 0.000 0.451 274 Q N 0.562 120.438 119.800 0.126 0.000 2.079 274 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 274 Q C 2.027 178.179 176.000 0.252 0.000 0.974 274 Q CA 1.418 57.320 55.803 0.166 0.000 0.840 274 Q CB -0.023 28.772 28.738 0.096 0.000 0.898 274 Q HN 0.313 nan 8.270 nan 0.000 0.430 275 A N 0.005 122.985 122.820 0.266 0.000 1.972 275 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 275 A C 2.222 180.050 177.584 0.407 0.000 1.169 275 A CA 1.302 53.506 52.037 0.278 0.000 0.635 275 A CB -0.589 18.502 19.000 0.152 0.000 0.810 275 A HN 0.278 nan 8.150 nan 0.000 0.446 276 V N -0.134 119.977 119.914 0.328 0.000 2.295 276 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 276 V C 3.084 179.290 176.094 0.187 0.000 1.049 276 V CA 1.968 64.418 62.300 0.251 0.000 1.024 276 V CB -1.249 30.680 31.823 0.176 0.000 0.648 276 V HN 0.622 nan 8.190 nan 0.000 0.447 277 A N -0.898 122.040 122.820 0.196 0.000 1.873 277 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 277 A C 2.181 179.888 177.584 0.204 0.000 1.193 277 A CA 2.398 54.547 52.037 0.186 0.000 0.629 277 A CB -0.942 18.191 19.000 0.221 0.000 0.826 277 A HN 0.607 nan 8.150 nan 0.000 0.447 278 Y N 0.355 120.740 120.300 0.142 0.000 2.165 278 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 278 Y C 2.568 178.504 175.900 0.058 0.000 1.155 278 Y CA 2.136 60.287 58.100 0.085 0.000 1.164 278 Y CB -0.438 38.107 38.460 0.143 0.000 0.978 278 Y HN 0.367 nan 8.280 nan 0.000 0.513 279 R N 0.127 120.690 120.500 0.105 0.000 2.083 279 R HA -0.258 4.082 4.340 -0.000 0.000 0.237 279 R C 2.480 178.718 176.300 -0.105 0.000 1.137 279 R CA 1.962 58.053 56.100 -0.015 0.000 0.951 279 R CB -0.449 29.842 30.300 -0.015 0.000 0.851 279 R HN 0.554 nan 8.270 nan 0.000 0.434 280 Q N 0.257 120.024 119.800 -0.055 0.000 2.045 280 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 280 Q C 2.098 178.031 176.000 -0.112 0.000 0.991 280 Q CA 2.336 58.101 55.803 -0.064 0.000 0.851 280 Q CB -0.113 28.614 28.738 -0.018 0.000 0.911 280 Q HN 0.422 nan 8.270 nan 0.000 0.418 281 M N -0.067 119.441 119.600 -0.152 0.000 2.065 281 M HA -0.194 4.286 4.480 -0.000 0.000 0.259 281 M C 2.395 178.530 176.300 -0.275 0.000 1.069 281 M CA 1.924 57.092 55.300 -0.221 0.000 1.110 281 M CB -0.163 32.259 32.600 -0.297 0.000 1.328 281 M HN 0.146 nan 8.290 nan 0.000 0.405 282 S N 0.662 116.123 115.700 -0.399 0.000 2.382 282 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 282 S C 1.869 176.359 174.600 -0.183 0.000 1.027 282 S CA 1.132 59.127 58.200 -0.341 0.000 0.991 282 S CB -0.451 62.504 63.200 -0.410 0.000 0.823 282 S HN 0.366 nan 8.310 nan 0.000 0.469 283 L N 0.922 122.054 121.223 -0.151 0.000 2.072 283 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 283 L C 2.178 178.996 176.870 -0.088 0.000 1.079 283 L CA 0.902 55.681 54.840 -0.101 0.000 0.752 283 L CB -0.500 41.505 42.059 -0.090 0.000 0.906 283 L HN 0.279 nan 8.230 nan 0.000 0.436 284 L N -0.498 120.668 121.223 -0.095 0.000 2.131 284 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 284 L C 2.243 179.066 176.870 -0.078 0.000 1.092 284 L CA 1.022 55.814 54.840 -0.080 0.000 0.759 284 L CB -0.315 41.696 42.059 -0.080 0.000 0.903 284 L HN 0.311 nan 8.230 nan 0.000 0.435 285 L N -0.409 120.755 121.223 -0.097 0.000 2.610 285 L HA -0.003 4.337 4.340 -0.000 0.000 0.232 285 L C 0.749 177.581 176.870 -0.063 0.000 1.149 285 L CA 0.202 54.992 54.840 -0.083 0.000 0.872 285 L CB -0.182 41.814 42.059 -0.105 0.000 0.992 285 L HN 0.299 nan 8.230 nan 0.000 0.447 286 R N -0.246 120.217 120.500 -0.062 0.000 3.651 286 R HA -0.138 4.202 4.340 -0.000 0.000 0.292 286 R C -0.292 175.984 176.300 -0.039 0.000 1.161 286 R CA 0.249 56.322 56.100 -0.046 0.000 0.787 286 R CB -1.789 28.490 30.300 -0.035 0.000 1.249 286 R HN 0.285 nan 8.270 nan 0.000 0.476 287 R N 0.992 121.462 120.500 -0.050 0.000 2.594 287 R HA 0.179 4.519 4.340 -0.000 0.000 0.272 287 R C -2.073 174.215 176.300 -0.021 0.000 1.074 287 R CA -1.823 54.257 56.100 -0.033 0.000 1.105 287 R CB 0.018 30.290 30.300 -0.046 0.000 1.008 287 R HN -0.076 nan 8.270 nan 0.000 0.472 288 P HA 0.109 nan 4.420 nan 0.000 0.271 288 P C -2.197 175.109 177.300 0.011 0.000 1.233 288 P CA -0.939 62.163 63.100 0.002 0.000 0.764 288 P CB 0.055 31.761 31.700 0.010 0.000 0.825 289 P HA 0.209 nan 4.420 nan 0.000 0.275 289 P C 0.218 177.531 177.300 0.021 0.000 1.227 289 P CA 0.105 63.210 63.100 0.008 0.000 0.781 289 P CB 1.370 33.058 31.700 -0.021 0.000 0.906 290 G N 2.328 111.159 108.800 0.052 0.000 3.414 290 G HA2 0.265 4.225 3.960 -0.000 0.000 0.189 290 G HA3 0.265 4.225 3.960 -0.000 0.000 0.189 290 G C -0.483 174.418 174.900 0.002 0.000 1.329 290 G CA -0.651 44.465 45.100 0.026 0.000 0.851 290 G HN 0.526 nan 8.290 nan 0.000 0.671 291 R N 1.006 121.458 120.500 -0.079 0.000 2.421 291 R HA 0.188 4.528 4.340 -0.000 0.000 0.305 291 R C -0.071 176.304 176.300 0.126 0.000 1.039 291 R CA 0.646 56.654 56.100 -0.153 0.000 1.003 291 R CB -0.304 29.599 30.300 -0.662 0.000 0.959 291 R HN 0.661 nan 8.270 nan 0.000 0.427 292 E N 2.962 123.225 120.200 0.105 0.000 2.586 292 E HA -0.330 4.020 4.350 -0.000 0.000 0.259 292 E C 0.241 176.795 176.600 -0.077 0.000 1.107 292 E CA 0.467 56.936 56.400 0.115 0.000 0.754 292 E CB -1.243 28.661 29.700 0.340 0.000 1.335 292 E HN 0.914 nan 8.360 nan 0.000 0.411 293 A N -2.246 120.549 122.820 -0.040 0.000 2.979 293 A HA -0.308 4.012 4.320 -0.000 0.000 0.260 293 A C 0.061 177.584 177.584 -0.101 0.000 1.282 293 A CA 1.774 53.755 52.037 -0.094 0.000 0.971 293 A CB -2.173 16.738 19.000 -0.148 0.000 1.124 293 A HN 0.469 nan 8.150 nan 0.000 0.826 294 Y N 0.513 120.893 120.300 0.134 0.000 2.301 294 Y HA 0.466 5.016 4.550 -0.000 0.000 0.328 294 Y C -1.276 174.726 175.900 0.170 0.000 1.242 294 Y CA -1.262 56.949 58.100 0.184 0.000 1.323 294 Y CB 0.588 39.246 38.460 0.330 0.000 1.266 294 Y HN 0.253 nan 8.280 nan 0.000 0.527 295 P HA 0.067 nan 4.420 nan 0.000 0.276 295 P C 0.476 177.947 177.300 0.286 0.000 1.244 295 P CA -0.183 63.051 63.100 0.224 0.000 0.801 295 P CB 1.109 32.895 31.700 0.144 0.000 1.006 296 G N 1.509 110.440 108.800 0.219 0.000 2.462 296 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 296 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 296 G C 0.759 175.816 174.900 0.261 0.000 1.121 296 G CA 0.742 45.976 45.100 0.222 0.000 0.758 296 G HN 0.658 nan 8.290 nan 0.000 0.559 297 D N 0.351 120.922 120.400 0.284 0.000 2.336 297 D HA 0.079 4.719 4.640 -0.000 0.000 0.228 297 D C 1.801 178.263 176.300 0.270 0.000 1.120 297 D CA -0.250 53.944 54.000 0.323 0.000 0.839 297 D CB 0.192 41.206 40.800 0.358 0.000 0.932 297 D HN 0.157 nan 8.370 nan 0.000 0.509 298 V N -0.153 119.900 119.914 0.232 0.000 2.719 298 V HA -0.086 4.034 4.120 -0.000 0.000 0.252 298 V C 1.771 177.776 176.094 -0.149 0.000 1.065 298 V CA 0.929 63.252 62.300 0.038 0.000 1.086 298 V CB -0.725 31.123 31.823 0.041 0.000 0.700 298 V HN 0.205 nan 8.190 nan 0.000 0.467 299 F N 0.264 120.145 119.950 -0.114 0.000 2.102 299 F HA -0.206 4.321 4.527 0.000 0.000 0.298 299 F C 2.172 177.975 175.800 0.004 0.000 1.105 299 F CA 2.399 60.349 58.000 -0.084 0.000 1.239 299 F CB -0.740 38.258 39.000 -0.003 0.000 0.991 299 F HN 0.340 nan 8.300 nan 0.000 0.474 300 Y N 0.851 121.061 120.300 -0.150 0.000 2.274 300 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 300 Y C 2.144 177.882 175.900 -0.270 0.000 1.145 300 Y CA 1.509 59.468 58.100 -0.235 0.000 1.203 300 Y CB -0.968 37.497 38.460 0.007 0.000 0.984 300 Y HN 0.263 nan 8.280 nan 0.000 0.533 301 L N -0.115 120.882 121.223 -0.378 0.000 2.013 301 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 301 L C 2.195 178.848 176.870 -0.362 0.000 1.073 301 L CA 2.540 57.087 54.840 -0.488 0.000 0.753 301 L CB -0.759 40.926 42.059 -0.623 0.000 0.890 301 L HN 0.380 nan 8.230 nan 0.000 0.432 302 H N -2.089 116.766 119.070 -0.358 0.000 2.465 302 H HA -0.005 4.551 4.556 -0.000 0.000 0.289 302 H C 2.380 177.464 175.328 -0.406 0.000 1.022 302 H CA 0.743 56.562 56.048 -0.382 0.000 1.340 302 H CB 0.069 29.631 29.762 -0.334 0.000 1.437 302 H HN 0.536 nan 8.280 nan 0.000 0.539 303 S N 1.725 117.162 115.700 -0.438 0.000 2.368 303 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 303 S C 2.121 176.602 174.600 -0.200 0.000 1.029 303 S CA 1.133 59.074 58.200 -0.432 0.000 0.988 303 S CB -0.201 62.499 63.200 -0.833 0.000 0.838 303 S HN 0.541 nan 8.310 nan 0.000 0.462 304 R N 0.674 121.055 120.500 -0.200 0.000 2.115 304 R HA 0.115 4.455 4.340 -0.000 0.000 0.230 304 R C 2.338 178.594 176.300 -0.073 0.000 1.111 304 R CA 1.180 57.212 56.100 -0.113 0.000 0.976 304 R CB -0.798 29.358 30.300 -0.240 0.000 0.870 304 R HN 0.452 nan 8.270 nan 0.000 0.445 305 L N 1.278 122.444 121.223 -0.096 0.000 2.027 305 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 305 L C 2.028 178.825 176.870 -0.122 0.000 1.074 305 L CA 1.640 56.403 54.840 -0.129 0.000 0.745 305 L CB -0.201 41.617 42.059 -0.401 0.000 0.898 305 L HN 0.222 nan 8.230 nan 0.000 0.433 306 L N -0.786 120.357 121.223 -0.133 0.000 2.492 306 L HA 0.003 4.343 4.340 -0.000 0.000 0.223 306 L C 2.285 179.146 176.870 -0.014 0.000 1.132 306 L CA 0.224 55.029 54.840 -0.058 0.000 0.850 306 L CB -0.490 41.521 42.059 -0.079 0.000 0.966 306 L HN 0.302 nan 8.230 nan 0.000 0.454 307 E N 0.575 120.761 120.200 -0.024 0.000 2.347 307 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 307 E C 2.001 178.606 176.600 0.009 0.000 1.008 307 E CA 0.648 57.048 56.400 -0.001 0.000 0.852 307 E CB 0.160 29.863 29.700 0.004 0.000 0.783 307 E HN 0.498 nan 8.360 nan 0.000 0.505 308 R N 0.468 120.978 120.500 0.017 0.000 2.200 308 R HA 0.107 4.447 4.340 -0.000 0.000 0.208 308 R C 0.958 177.283 176.300 0.042 0.000 1.033 308 R CA 0.340 56.457 56.100 0.029 0.000 1.000 308 R CB 0.106 30.431 30.300 0.041 0.000 0.906 308 R HN -0.090 nan 8.270 nan 0.000 0.462 309 A N 1.501 124.353 122.820 0.053 0.000 2.484 309 A HA 0.516 4.836 4.320 -0.000 0.000 0.268 309 A C -0.142 177.461 177.584 0.032 0.000 1.114 309 A CA 0.210 52.277 52.037 0.051 0.000 0.780 309 A CB 0.073 19.108 19.000 0.058 0.000 1.061 309 A HN 0.324 nan 8.150 nan 0.000 0.505 310 A N 2.638 125.477 122.820 0.030 0.000 2.606 310 A HA 0.728 5.048 4.320 -0.000 0.000 0.293 310 A C -0.713 176.887 177.584 0.027 0.000 1.082 310 A CA -0.802 51.245 52.037 0.017 0.000 0.685 310 A CB 1.234 20.233 19.000 -0.002 0.000 1.284 310 A HN 0.802 nan 8.150 nan 0.000 0.408 311 K N 1.989 122.402 120.400 0.022 0.000 2.316 311 K HA 0.557 4.877 4.320 -0.000 0.000 0.267 311 K C -0.704 175.911 176.600 0.024 0.000 1.025 311 K CA -0.368 55.942 56.287 0.038 0.000 0.896 311 K CB 0.359 32.882 32.500 0.039 0.000 1.124 311 K HN 0.595 nan 8.250 nan 0.000 0.451 312 M N 3.343 122.964 119.600 0.034 0.000 2.211 312 M HA 0.187 4.667 4.480 -0.000 0.000 0.356 312 M C 0.209 176.557 176.300 0.080 0.000 1.216 312 M CA -0.609 54.715 55.300 0.041 0.000 1.134 312 M CB 0.042 32.678 32.600 0.061 0.000 1.564 312 M HN 0.689 nan 8.290 nan 0.000 0.463 313 N N 1.492 120.257 118.700 0.107 0.000 2.317 313 N HA 0.059 4.799 4.740 -0.000 0.000 0.245 313 N C 0.180 175.775 175.510 0.142 0.000 1.294 313 N CA -0.259 52.865 53.050 0.124 0.000 0.924 313 N CB 0.521 39.084 38.487 0.127 0.000 1.186 313 N HN 0.424 nan 8.380 nan 0.000 0.495 314 D N -0.566 119.891 120.400 0.095 0.000 2.149 314 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 314 D C 1.686 178.006 176.300 0.034 0.000 0.990 314 D CA 1.691 55.727 54.000 0.059 0.000 0.839 314 D CB -0.642 40.180 40.800 0.036 0.000 0.948 314 D HN 0.717 nan 8.370 nan 0.000 0.460 315 A N -0.388 122.456 122.820 0.040 0.000 2.125 315 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 315 A C 1.257 178.652 177.584 -0.315 0.000 1.156 315 A CA 0.779 52.747 52.037 -0.116 0.000 0.671 315 A CB -0.509 18.424 19.000 -0.112 0.000 0.794 315 A HN 0.176 nan 8.150 nan 0.000 0.459 316 F N -1.372 118.570 119.950 -0.013 0.000 2.708 316 F HA 0.436 4.963 4.527 -0.000 0.000 0.300 316 F C 1.589 177.369 175.800 -0.034 0.000 1.118 316 F CA 0.489 58.476 58.000 -0.022 0.000 1.307 316 F CB 0.690 39.680 39.000 -0.016 0.000 0.986 316 F HN 0.304 nan 8.300 nan 0.000 0.522 317 G N -0.393 108.441 108.800 0.056 0.000 2.254 317 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.225 317 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.225 317 G C 1.298 176.201 174.900 0.006 0.000 1.003 317 G CA -0.092 45.013 45.100 0.007 0.000 0.622 317 G HN 1.093 nan 8.290 nan 0.000 0.507 318 G N -0.453 108.373 108.800 0.043 0.000 2.179 318 G HA2 0.174 4.134 3.960 -0.000 0.000 0.260 318 G HA3 0.174 4.134 3.960 -0.000 0.000 0.260 318 G C 1.563 176.463 174.900 -0.000 0.000 0.977 318 G CA 1.121 46.250 45.100 0.047 0.000 0.641 318 G HN 2.129 nan 8.290 nan 0.000 0.533 319 G N -0.425 108.319 108.800 -0.094 0.000 2.653 319 G HA2 0.717 4.677 3.960 -0.000 0.000 0.265 319 G HA3 0.717 4.677 3.960 -0.000 0.000 0.265 319 G C 0.295 175.141 174.900 -0.089 0.000 1.237 319 G CA 1.022 45.959 45.100 -0.272 0.000 0.946 319 G HN 1.911 nan 8.290 nan 0.000 0.522 320 S N -1.787 113.882 115.700 -0.052 0.000 2.552 320 S HA 0.521 4.991 4.470 -0.000 0.000 0.272 320 S C -1.583 173.079 174.600 0.104 0.000 1.150 320 S CA -0.811 57.450 58.200 0.101 0.000 0.849 320 S CB 1.737 65.073 63.200 0.227 0.000 1.113 320 S HN 1.119 nan 8.310 nan 0.000 0.458 321 L N 1.819 123.091 121.223 0.081 0.000 2.349 321 L HA 0.740 5.080 4.340 -0.000 0.000 0.278 321 L C -0.610 176.288 176.870 0.048 0.000 0.996 321 L CA 0.226 55.110 54.840 0.073 0.000 0.825 321 L CB 1.839 43.944 42.059 0.076 0.000 1.243 321 L HN 0.919 nan 8.230 nan 0.000 0.412 322 T N 4.462 119.033 114.554 0.028 0.000 2.799 322 T HA 0.800 5.150 4.350 -0.000 0.000 0.286 322 T C -0.218 174.467 174.700 -0.025 0.000 0.973 322 T CA -0.228 61.874 62.100 0.003 0.000 1.035 322 T CB 1.297 70.156 68.868 -0.014 0.000 0.932 322 T HN 0.789 nan 8.240 nan 0.000 0.469 323 A N 3.446 126.258 122.820 -0.014 0.000 2.330 323 A HA 0.771 5.091 4.320 -0.000 0.000 0.327 323 A C -0.578 176.988 177.584 -0.030 0.000 1.155 323 A CA -0.767 51.243 52.037 -0.044 0.000 0.803 323 A CB 0.614 19.668 19.000 0.091 0.000 1.208 323 A HN 0.860 nan 8.150 nan 0.000 0.477 324 L N 4.280 125.454 121.223 -0.082 0.000 2.408 324 L HA 0.341 4.681 4.340 -0.000 0.000 0.257 324 L C -2.366 174.494 176.870 -0.016 0.000 1.053 324 L CA -1.818 53.000 54.840 -0.035 0.000 0.922 324 L CB 1.564 43.601 42.059 -0.036 0.000 1.261 324 L HN 0.475 nan 8.230 nan 0.000 0.458 325 P HA 0.132 nan 4.420 nan 0.000 0.275 325 P C -0.444 176.856 177.300 0.001 0.000 1.227 325 P CA -0.133 63.016 63.100 0.082 0.000 0.781 325 P CB 1.848 33.554 31.700 0.010 0.000 0.906 326 V N 4.757 124.661 119.914 -0.017 0.000 2.483 326 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 326 V C 0.421 176.490 176.094 -0.042 0.000 1.035 326 V CA -0.526 61.762 62.300 -0.020 0.000 0.896 326 V CB 1.533 33.348 31.823 -0.013 0.000 0.986 326 V HN 0.427 nan 8.190 nan 0.000 0.447 327 I N 3.500 124.059 120.570 -0.020 0.000 2.533 327 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 327 I C -0.125 176.005 176.117 0.021 0.000 1.056 327 I CA -0.367 60.924 61.300 -0.015 0.000 1.057 327 I CB 2.141 40.129 38.000 -0.020 0.000 1.240 327 I HN 0.765 nan 8.210 nan 0.000 0.423 328 E N 5.227 125.443 120.200 0.026 0.000 2.146 328 E HA 0.376 4.726 4.350 -0.000 0.000 0.282 328 E C -0.560 176.077 176.600 0.061 0.000 0.989 328 E CA -0.368 56.054 56.400 0.037 0.000 0.799 328 E CB 1.159 30.878 29.700 0.031 0.000 1.088 328 E HN 0.673 nan 8.360 nan 0.000 0.397 329 T N 2.064 116.666 114.554 0.080 0.000 2.918 329 T HA 0.276 4.626 4.350 -0.000 0.000 0.283 329 T C 0.041 174.791 174.700 0.083 0.000 1.001 329 T CA -1.029 61.131 62.100 0.101 0.000 1.041 329 T CB 1.491 70.456 68.868 0.160 0.000 1.028 329 T HN 0.371 nan 8.240 nan 0.000 0.511 330 Q N 0.846 120.696 119.800 0.084 0.000 2.303 330 Q HA 0.493 4.833 4.340 -0.000 0.000 0.257 330 Q C 0.683 176.727 176.000 0.072 0.000 0.941 330 Q CA -0.048 55.797 55.803 0.071 0.000 0.931 330 Q CB 1.215 29.996 28.738 0.071 0.000 1.215 330 Q HN 1.197 nan 8.270 nan 0.000 0.437 331 A N 2.630 125.487 122.820 0.062 0.000 2.704 331 A HA -0.191 4.129 4.320 -0.000 0.000 0.299 331 A C 1.142 178.781 177.584 0.092 0.000 1.507 331 A CA 1.319 53.393 52.037 0.062 0.000 0.776 331 A CB -2.140 16.889 19.000 0.048 0.000 1.027 331 A HN 1.491 nan 8.150 nan 0.000 0.475 332 G N -1.205 107.677 108.800 0.137 0.000 2.168 332 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 332 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 332 G C -0.066 174.923 174.900 0.147 0.000 0.997 332 G CA 0.995 46.237 45.100 0.237 0.000 0.708 332 G HN 1.592 nan 8.290 nan 0.000 0.520 333 D N 0.498 120.956 120.400 0.096 0.000 2.435 333 D HA 0.377 5.017 4.640 -0.000 0.000 0.230 333 D C 1.788 178.107 176.300 0.032 0.000 1.215 333 D CA 0.288 54.318 54.000 0.050 0.000 0.947 333 D CB 0.585 41.419 40.800 0.057 0.000 1.048 333 D HN 0.584 nan 8.370 nan 0.000 0.512 334 V N 1.109 121.000 119.914 -0.039 0.000 3.461 334 V HA 0.035 4.155 4.120 -0.000 0.000 0.267 334 V C 1.712 177.786 176.094 -0.033 0.000 1.186 334 V CA 0.565 62.822 62.300 -0.070 0.000 1.154 334 V CB -0.027 31.653 31.823 -0.238 0.000 0.802 334 V HN 0.286 nan 8.190 nan 0.000 0.474 335 S N 0.523 116.216 115.700 -0.013 0.000 2.522 335 S HA 0.432 4.902 4.470 -0.000 0.000 0.227 335 S C 1.379 176.010 174.600 0.052 0.000 0.986 335 S CA 0.530 58.736 58.200 0.011 0.000 0.929 335 S CB -0.303 62.901 63.200 0.007 0.000 0.769 335 S HN 0.939 nan 8.310 nan 0.000 0.529 336 A N 0.157 123.018 122.820 0.068 0.000 2.366 336 A HA 0.305 4.625 4.320 -0.000 0.000 0.250 336 A C 0.788 178.469 177.584 0.162 0.000 1.099 336 A CA -0.092 52.015 52.037 0.117 0.000 0.794 336 A CB -0.212 18.859 19.000 0.118 0.000 1.056 336 A HN 0.518 nan 8.150 nan 0.000 0.499 337 Y N 0.143 120.467 120.300 0.041 0.000 2.109 337 Y HA -0.187 4.363 4.550 -0.000 0.000 0.285 337 Y C 1.883 177.779 175.900 -0.006 0.000 1.131 337 Y CA 1.706 59.820 58.100 0.024 0.000 1.121 337 Y CB -0.038 38.452 38.460 0.050 0.000 0.987 337 Y HN 0.501 nan 8.280 nan 0.000 0.495 338 I N 0.851 121.326 120.570 -0.158 0.000 2.179 338 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 338 I C -0.586 175.480 176.117 -0.085 0.000 1.088 338 I CA 1.322 62.466 61.300 -0.260 0.000 1.357 338 I CB -2.887 34.965 38.000 -0.248 0.000 1.051 338 I HN 0.216 nan 8.210 nan 0.000 0.409 339 P HA -0.130 nan 4.420 nan 0.000 0.215 339 P C 1.800 179.108 177.300 0.013 0.000 1.153 339 P CA 2.238 65.343 63.100 0.008 0.000 0.853 339 P CB -0.270 31.449 31.700 0.031 0.000 0.788 340 T N -3.806 110.765 114.554 0.027 0.000 2.821 340 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 340 T C 1.737 176.470 174.700 0.055 0.000 1.046 340 T CA 1.103 63.227 62.100 0.040 0.000 1.139 340 T CB -1.186 67.720 68.868 0.062 0.000 0.871 340 T HN -0.053 nan 8.240 nan 0.000 0.454 341 N N 1.594 120.316 118.700 0.037 0.000 2.021 341 N HA -0.099 4.641 4.740 -0.000 0.000 0.198 341 N C 1.951 177.564 175.510 0.172 0.000 1.041 341 N CA 1.530 54.655 53.050 0.124 0.000 0.862 341 N CB -0.965 37.524 38.487 0.003 0.000 1.048 341 N HN 0.355 nan 8.380 nan 0.000 0.427 342 V N 1.244 121.200 119.914 0.069 0.000 2.307 342 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 342 V C 2.263 178.378 176.094 0.035 0.000 1.045 342 V CA 1.060 63.372 62.300 0.020 0.000 1.024 342 V CB -0.479 31.302 31.823 -0.070 0.000 0.651 342 V HN 0.237 nan 8.190 nan 0.000 0.449 343 I N 1.479 122.069 120.570 0.035 0.000 2.248 343 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 343 I C 2.478 178.628 176.117 0.056 0.000 1.107 343 I CA 2.083 63.404 61.300 0.035 0.000 1.373 343 I CB -0.401 37.611 38.000 0.020 0.000 1.055 343 I HN 0.492 nan 8.210 nan 0.000 0.418 344 S N -0.182 115.572 115.700 0.090 0.000 2.607 344 S HA 0.101 4.571 4.470 -0.000 0.000 0.224 344 S C 1.514 176.219 174.600 0.177 0.000 0.969 344 S CA 0.308 58.579 58.200 0.117 0.000 0.927 344 S CB -0.318 62.952 63.200 0.116 0.000 0.772 344 S HN 0.455 nan 8.310 nan 0.000 0.533 345 I N 1.268 121.924 120.570 0.144 0.000 3.194 345 I HA 0.088 4.258 4.170 -0.000 0.000 0.271 345 I C 1.487 177.635 176.117 0.053 0.000 1.150 345 I CA 0.554 61.917 61.300 0.104 0.000 1.440 345 I CB -0.226 37.788 38.000 0.023 0.000 1.276 345 I HN 0.337 nan 8.210 nan 0.000 0.457 346 T N -1.666 112.909 114.554 0.036 0.000 2.732 346 T HA 0.136 4.486 4.350 -0.000 0.000 0.287 346 T C 0.135 174.853 174.700 0.030 0.000 0.993 346 T CA -0.423 61.692 62.100 0.024 0.000 0.966 346 T CB 0.685 69.562 68.868 0.016 0.000 1.047 346 T HN 0.005 nan 8.240 nan 0.000 0.527 347 D N 0.727 121.142 120.400 0.025 0.000 3.058 347 D HA 0.457 5.097 4.640 -0.000 0.000 0.272 347 D C 0.901 177.215 176.300 0.023 0.000 1.350 347 D CA 0.242 54.256 54.000 0.024 0.000 0.863 347 D CB -0.249 40.563 40.800 0.020 0.000 1.064 347 D HN 1.043 nan 8.370 nan 0.000 0.488 348 G N 1.099 109.915 108.800 0.026 0.000 2.462 348 G HA2 0.034 3.994 3.960 -0.000 0.000 0.685 348 G HA3 0.034 3.994 3.960 -0.000 0.000 0.685 348 G C -1.377 173.543 174.900 0.034 0.000 1.295 348 G CA -1.054 44.063 45.100 0.028 0.000 0.941 348 G HN 0.175 nan 8.290 nan 0.000 0.554 349 Q N -1.407 118.420 119.800 0.045 0.000 2.462 349 Q HA 0.761 5.101 4.340 -0.000 0.000 0.285 349 Q C -0.614 175.436 176.000 0.084 0.000 1.035 349 Q CA -0.685 55.156 55.803 0.063 0.000 0.799 349 Q CB 2.045 30.828 28.738 0.074 0.000 1.452 349 Q HN 0.771 nan 8.270 nan 0.000 0.404 350 I N 1.674 122.300 120.570 0.093 0.000 2.355 350 I HA 0.416 4.586 4.170 -0.000 0.000 0.288 350 I C -1.125 175.087 176.117 0.157 0.000 0.999 350 I CA -0.717 60.645 61.300 0.104 0.000 1.163 350 I CB 0.728 38.765 38.000 0.061 0.000 1.316 350 I HN 0.507 nan 8.210 nan 0.000 0.454 351 F N 8.055 128.019 119.950 0.024 0.000 2.404 351 F HA 0.564 5.091 4.527 0.000 0.000 0.354 351 F C -0.864 174.957 175.800 0.034 0.000 1.122 351 F CA -0.721 57.294 58.000 0.024 0.000 1.080 351 F CB 0.743 39.758 39.000 0.024 0.000 1.131 351 F HN 0.197 nan 8.300 nan 0.000 0.471 352 L N 5.986 126.857 121.223 -0.586 0.000 2.282 352 L HA 0.437 4.777 4.340 -0.000 0.000 0.288 352 L C -0.122 176.255 176.870 -0.821 0.000 1.033 352 L CA -0.631 53.912 54.840 -0.495 0.000 0.807 352 L CB 1.401 43.319 42.059 -0.234 0.000 1.209 352 L HN 0.583 nan 8.230 nan 0.000 0.423 353 E N 1.078 120.967 120.200 -0.518 0.000 2.216 353 E HA 0.181 4.531 4.350 -0.000 0.000 0.279 353 E C 0.296 176.841 176.600 -0.092 0.000 0.997 353 E CA -0.326 55.872 56.400 -0.336 0.000 0.817 353 E CB 1.925 31.567 29.700 -0.095 0.000 1.096 353 E HN 0.566 nan 8.360 nan 0.000 0.393 354 T N 2.344 116.868 114.554 -0.050 0.000 2.777 354 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 354 T C 1.552 176.345 174.700 0.156 0.000 1.040 354 T CA 1.217 63.346 62.100 0.047 0.000 1.141 354 T CB -0.004 68.874 68.868 0.018 0.000 0.868 354 T HN 0.557 nan 8.240 nan 0.000 0.444 355 E N 0.630 120.891 120.200 0.101 0.000 2.085 355 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 355 E C 2.066 178.764 176.600 0.164 0.000 0.994 355 E CA 0.894 57.360 56.400 0.110 0.000 0.801 355 E CB -0.193 29.547 29.700 0.067 0.000 0.743 355 E HN 0.435 nan 8.360 nan 0.000 0.453 356 L N -0.211 121.094 121.223 0.137 0.000 2.056 356 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 356 L C 2.376 179.336 176.870 0.151 0.000 1.078 356 L CA 0.855 55.770 54.840 0.125 0.000 0.749 356 L CB -0.391 41.721 42.059 0.089 0.000 0.901 356 L HN 0.215 nan 8.230 nan 0.000 0.433 357 F N -0.412 119.561 119.950 0.038 0.000 2.134 357 F HA -0.300 4.227 4.527 0.000 0.000 0.299 357 F C 2.568 178.407 175.800 0.066 0.000 1.097 357 F CA 1.457 59.475 58.000 0.031 0.000 1.264 357 F CB -0.330 38.677 39.000 0.012 0.000 1.001 357 F HN -0.027 nan 8.300 nan 0.000 0.479 358 Y N 1.341 121.754 120.300 0.189 0.000 2.097 358 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 358 Y C 2.255 178.150 175.900 -0.009 0.000 1.152 358 Y CA 2.201 60.358 58.100 0.095 0.000 1.136 358 Y CB -0.482 38.042 38.460 0.108 0.000 0.975 358 Y HN -0.044 nan 8.280 nan 0.000 0.498 359 K N -0.337 120.173 120.400 0.184 0.000 2.519 359 K HA 0.009 4.329 4.320 -0.000 0.000 0.196 359 K C 1.228 177.792 176.600 -0.060 0.000 1.041 359 K CA 0.775 57.105 56.287 0.072 0.000 0.954 359 K CB -0.421 32.150 32.500 0.119 0.000 0.774 359 K HN 0.631 nan 8.250 nan 0.000 0.480 360 G N 1.422 110.136 108.800 -0.143 0.000 2.132 360 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.234 360 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.234 360 G C 0.076 174.890 174.900 -0.143 0.000 0.989 360 G CA -0.317 44.655 45.100 -0.213 0.000 0.676 360 G HN 0.256 nan 8.290 nan 0.000 0.522 361 I N 1.496 122.021 120.570 -0.075 0.000 2.389 361 I HA 0.317 4.487 4.170 -0.000 0.000 0.295 361 I C 0.820 176.912 176.117 -0.043 0.000 1.117 361 I CA 0.188 61.469 61.300 -0.032 0.000 1.317 361 I CB 0.200 38.213 38.000 0.022 0.000 1.431 361 I HN 0.078 nan 8.210 nan 0.000 0.521 362 R N 7.559 128.021 120.500 -0.063 0.000 2.574 362 R HA 0.409 4.749 4.340 -0.000 0.000 0.288 362 R C -2.676 173.608 176.300 -0.027 0.000 1.004 362 R CA -1.872 54.196 56.100 -0.054 0.000 0.895 362 R CB 1.968 32.177 30.300 -0.152 0.000 1.191 362 R HN 0.230 nan 8.270 nan 0.000 0.444 363 P HA -0.016 nan 4.420 nan 0.000 0.268 363 P C -0.266 177.063 177.300 0.048 0.000 1.204 363 P CA -0.006 63.114 63.100 0.033 0.000 0.768 363 P CB 0.858 32.572 31.700 0.023 0.000 0.842 364 A N 4.884 127.760 122.820 0.094 0.000 2.810 364 A HA 0.156 4.476 4.320 -0.000 0.000 0.247 364 A C 0.783 178.378 177.584 0.018 0.000 1.576 364 A CA -0.355 51.733 52.037 0.086 0.000 1.294 364 A CB -1.430 17.687 19.000 0.195 0.000 0.976 364 A HN 0.506 nan 8.150 nan 0.000 0.631 365 I N 1.476 122.062 120.570 0.026 0.000 2.421 365 I HA -0.003 4.167 4.170 -0.000 0.000 0.291 365 I C 0.575 176.726 176.117 0.058 0.000 1.089 365 I CA -0.335 60.982 61.300 0.028 0.000 1.354 365 I CB 0.362 38.388 38.000 0.043 0.000 1.413 365 I HN 0.367 nan 8.210 nan 0.000 0.513 366 N N 6.692 125.439 118.700 0.079 0.000 2.406 366 N HA 0.018 4.758 4.740 -0.000 0.000 0.265 366 N C 0.801 176.404 175.510 0.156 0.000 1.203 366 N CA 0.142 53.286 53.050 0.157 0.000 0.945 366 N CB 1.354 40.031 38.487 0.318 0.000 1.165 366 N HN 0.411 nan 8.380 nan 0.000 0.485 367 V N 4.054 124.039 119.914 0.117 0.000 2.307 367 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 367 V C 2.280 178.428 176.094 0.091 0.000 1.045 367 V CA 2.267 64.625 62.300 0.097 0.000 1.024 367 V CB -0.806 31.069 31.823 0.087 0.000 0.651 367 V HN 0.789 nan 8.190 nan 0.000 0.449 368 G N -0.567 108.287 108.800 0.090 0.000 2.443 368 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.219 368 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.219 368 G C 1.318 176.253 174.900 0.059 0.000 1.131 368 G CA 0.370 45.510 45.100 0.067 0.000 0.775 368 G HN 0.507 nan 8.290 nan 0.000 0.547 369 L N 0.922 122.198 121.223 0.088 0.000 2.628 369 L HA 0.260 4.600 4.340 -0.000 0.000 0.229 369 L C 0.286 177.204 176.870 0.080 0.000 1.137 369 L CA -0.118 54.753 54.840 0.052 0.000 0.909 369 L CB 0.259 42.321 42.059 0.004 0.000 1.137 369 L HN 0.002 nan 8.230 nan 0.000 0.470 370 S N 0.368 116.127 115.700 0.098 0.000 2.472 370 S HA 0.705 5.175 4.470 -0.000 0.000 0.303 370 S C -0.216 174.421 174.600 0.061 0.000 1.099 370 S CA -0.529 57.729 58.200 0.096 0.000 1.077 370 S CB 2.408 65.673 63.200 0.109 0.000 1.031 370 S HN 0.001 nan 8.310 nan 0.000 0.487 371 V N 0.468 120.413 119.914 0.051 0.000 3.114 371 V HA 0.820 4.940 4.120 -0.000 0.000 0.308 371 V C -0.464 175.651 176.094 0.034 0.000 1.168 371 V CA -0.906 61.417 62.300 0.037 0.000 1.015 371 V CB 1.940 33.779 31.823 0.028 0.000 1.050 371 V HN 0.700 nan 8.190 nan 0.000 0.433 372 S N 0.437 116.153 115.700 0.027 0.000 2.707 372 S HA 0.452 4.923 4.470 -0.000 0.000 0.312 372 S C 0.717 175.328 174.600 0.019 0.000 1.116 372 S CA -0.728 57.485 58.200 0.022 0.000 1.078 372 S CB 1.150 64.362 63.200 0.019 0.000 0.997 372 S HN 0.756 nan 8.310 nan 0.000 0.477 373 R N 2.470 122.981 120.500 0.018 0.000 2.189 373 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 373 R C 1.513 177.822 176.300 0.014 0.000 1.092 373 R CA 1.616 57.726 56.100 0.017 0.000 0.989 373 R CB -0.187 30.124 30.300 0.018 0.000 0.876 373 R HN 0.625 nan 8.270 nan 0.000 0.457 374 V N -5.356 114.565 119.914 0.012 0.000 3.485 374 V HA 0.373 4.493 4.120 -0.000 0.000 0.280 374 V C 1.575 177.672 176.094 0.006 0.000 1.495 374 V CA 0.602 62.908 62.300 0.009 0.000 1.018 374 V CB 0.632 32.461 31.823 0.010 0.000 0.818 374 V HN 0.137 nan 8.190 nan 0.000 0.436 375 G N 0.553 109.356 108.800 0.005 0.000 2.572 375 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 375 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 375 G C 1.550 176.450 174.900 0.000 0.000 1.133 375 G CA 1.134 46.234 45.100 -0.000 0.000 0.791 375 G HN 0.534 nan 8.290 nan 0.000 0.538 376 S N 1.056 116.759 115.700 0.005 0.000 2.374 376 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 376 S C 2.664 177.266 174.600 0.003 0.000 1.037 376 S CA 1.820 60.024 58.200 0.007 0.000 1.024 376 S CB -0.424 62.782 63.200 0.009 0.000 0.861 376 S HN 0.538 nan 8.310 nan 0.000 0.456 377 A N 0.144 122.965 122.820 0.002 0.000 2.121 377 A HA 0.395 4.715 4.320 -0.000 0.000 0.218 377 A C 1.866 179.446 177.584 -0.006 0.000 1.154 377 A CA 1.403 53.440 52.037 -0.000 0.000 0.679 377 A CB -0.637 18.364 19.000 0.002 0.000 0.795 377 A HN 0.785 nan 8.150 nan 0.000 0.458 378 A N -1.247 121.566 122.820 -0.011 0.000 2.500 378 A HA 0.358 4.678 4.320 -0.000 0.000 0.267 378 A C 0.603 178.172 177.584 -0.024 0.000 1.290 378 A CA -0.219 51.803 52.037 -0.024 0.000 0.928 378 A CB -0.120 18.860 19.000 -0.034 0.000 1.066 378 A HN 0.506 nan 8.150 nan 0.000 0.516 379 Q N 1.627 121.420 119.800 -0.011 0.000 2.274 379 Q HA 0.352 4.692 4.340 -0.000 0.000 0.256 379 Q C -0.111 175.888 176.000 -0.001 0.000 0.927 379 Q CA -0.387 55.413 55.803 -0.004 0.000 0.939 379 Q CB 0.928 29.669 28.738 0.005 0.000 1.201 379 Q HN 0.506 nan 8.270 nan 0.000 0.426 380 T N 1.018 115.572 114.554 0.001 0.000 2.946 380 T HA -0.007 4.343 4.350 -0.000 0.000 0.311 380 T C 0.970 175.677 174.700 0.011 0.000 1.063 380 T CA -0.515 61.588 62.100 0.005 0.000 1.139 380 T CB 0.914 69.789 68.868 0.011 0.000 0.994 380 T HN 0.705 nan 8.240 nan 0.000 0.547 381 R N 2.812 123.319 120.500 0.010 0.000 2.117 381 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 381 R C 2.451 178.764 176.300 0.021 0.000 1.143 381 R CA 2.103 58.212 56.100 0.015 0.000 0.968 381 R CB -1.372 28.935 30.300 0.012 0.000 0.863 381 R HN 0.888 nan 8.270 nan 0.000 0.444 382 A N 0.007 122.839 122.820 0.020 0.000 1.908 382 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 382 A C 2.159 179.766 177.584 0.039 0.000 1.181 382 A CA 1.957 54.010 52.037 0.026 0.000 0.627 382 A CB -0.579 18.431 19.000 0.017 0.000 0.818 382 A HN 0.465 nan 8.150 nan 0.000 0.445 383 M N -0.319 119.301 119.600 0.034 0.000 2.156 383 M HA -0.004 4.476 4.480 -0.000 0.000 0.264 383 M C 1.814 178.137 176.300 0.039 0.000 1.067 383 M CA 1.713 57.037 55.300 0.039 0.000 1.131 383 M CB -0.474 32.145 32.600 0.032 0.000 1.368 383 M HN 0.352 nan 8.290 nan 0.000 0.416 384 K N -0.492 119.927 120.400 0.031 0.000 2.103 384 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 384 K C 2.065 178.687 176.600 0.035 0.000 1.048 384 K CA 1.849 58.154 56.287 0.029 0.000 0.930 384 K CB -0.199 32.315 32.500 0.022 0.000 0.716 384 K HN 0.533 nan 8.250 nan 0.000 0.444 385 Q N -0.120 119.706 119.800 0.044 0.000 2.226 385 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 385 Q C 2.001 178.042 176.000 0.069 0.000 0.975 385 Q CA 1.525 57.362 55.803 0.056 0.000 0.866 385 Q CB 0.198 28.975 28.738 0.066 0.000 0.915 385 Q HN 0.317 nan 8.270 nan 0.000 0.440 386 V N -4.705 115.255 119.914 0.076 0.000 3.263 386 V HA 0.293 4.413 4.120 -0.000 0.000 0.248 386 V C 1.755 177.876 176.094 0.045 0.000 1.145 386 V CA 0.846 63.194 62.300 0.080 0.000 1.107 386 V CB -0.086 31.814 31.823 0.129 0.000 0.797 386 V HN 0.161 nan 8.190 nan 0.000 0.467 387 A N 1.421 124.265 122.820 0.041 0.000 1.984 387 A HA 0.311 4.631 4.320 -0.000 0.000 0.214 387 A C 2.247 179.844 177.584 0.022 0.000 1.173 387 A CA 1.222 53.277 52.037 0.030 0.000 0.673 387 A CB -1.103 17.916 19.000 0.031 0.000 0.830 387 A HN 0.628 nan 8.150 nan 0.000 0.453 388 G N 0.071 108.883 108.800 0.021 0.000 2.450 388 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 388 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 388 G C 1.656 176.563 174.900 0.011 0.000 1.130 388 G CA 2.006 47.116 45.100 0.016 0.000 0.760 388 G HN 0.655 nan 8.290 nan 0.000 0.557 389 T N -2.323 112.234 114.554 0.005 0.000 3.054 389 T HA 0.155 4.505 4.350 -0.000 0.000 0.259 389 T C 2.255 176.949 174.700 -0.010 0.000 1.092 389 T CA 0.932 63.029 62.100 -0.006 0.000 1.121 389 T CB -0.021 68.836 68.868 -0.019 0.000 0.912 389 T HN 0.213 nan 8.240 nan 0.000 0.489 390 M N 0.962 120.558 119.600 -0.006 0.000 2.156 390 M HA 0.068 4.548 4.480 -0.000 0.000 0.264 390 M C 2.515 178.818 176.300 0.005 0.000 1.067 390 M CA 1.465 56.760 55.300 -0.008 0.000 1.131 390 M CB -0.199 32.399 32.600 -0.003 0.000 1.368 390 M HN 0.192 nan 8.290 nan 0.000 0.416 391 K N 0.423 120.832 120.400 0.014 0.000 2.032 391 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 391 K C 1.915 178.531 176.600 0.026 0.000 1.048 391 K CA 1.725 58.026 56.287 0.024 0.000 0.927 391 K CB -0.443 32.071 32.500 0.024 0.000 0.712 391 K HN 0.359 nan 8.250 nan 0.000 0.441 392 L N 1.920 123.153 121.223 0.018 0.000 2.046 392 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 392 L C 1.818 178.702 176.870 0.022 0.000 1.077 392 L CA 1.852 56.703 54.840 0.018 0.000 0.747 392 L CB -0.402 41.662 42.059 0.009 0.000 0.896 392 L HN 0.227 nan 8.230 nan 0.000 0.432 393 E N -0.932 119.274 120.200 0.011 0.000 2.274 393 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 393 E C 2.223 178.848 176.600 0.042 0.000 0.996 393 E CA 0.824 57.231 56.400 0.011 0.000 0.840 393 E CB -0.074 29.611 29.700 -0.025 0.000 0.772 393 E HN 0.496 nan 8.360 nan 0.000 0.491 394 L N -0.095 121.157 121.223 0.048 0.000 2.209 394 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 394 L C 2.349 179.306 176.870 0.146 0.000 1.094 394 L CA 0.583 55.485 54.840 0.103 0.000 0.790 394 L CB -0.113 41.989 42.059 0.072 0.000 0.932 394 L HN 0.131 nan 8.230 nan 0.000 0.447 395 A N -0.471 122.402 122.820 0.089 0.000 1.930 395 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 395 A C 2.134 179.758 177.584 0.067 0.000 1.175 395 A CA 1.215 53.293 52.037 0.069 0.000 0.627 395 A CB -0.323 18.703 19.000 0.045 0.000 0.815 395 A HN 0.449 nan 8.150 nan 0.000 0.443 396 Q N -2.271 117.574 119.800 0.075 0.000 2.369 396 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 396 Q C 1.719 177.779 176.000 0.101 0.000 0.963 396 Q CA 1.348 57.191 55.803 0.067 0.000 0.894 396 Q CB -0.212 28.559 28.738 0.055 0.000 0.965 396 Q HN 0.877 nan 8.270 nan 0.000 0.475 397 Y N 0.562 120.862 120.300 0.000 0.000 2.301 397 Y HA 0.042 4.592 4.550 -0.000 0.000 0.295 397 Y C 1.736 177.640 175.900 0.006 0.000 1.119 397 Y CA 0.983 59.084 58.100 0.001 0.000 1.162 397 Y CB 0.252 38.712 38.460 0.001 0.000 1.046 397 Y HN -0.193 nan 8.280 nan 0.000 0.538 398 R N 0.281 120.703 120.500 -0.131 0.000 2.236 398 R HA -0.055 4.285 4.340 -0.000 0.000 0.208 398 R C 1.703 177.916 176.300 -0.144 0.000 1.036 398 R CA 0.936 56.908 56.100 -0.212 0.000 1.001 398 R CB -0.035 30.234 30.300 -0.052 0.000 0.896 398 R HN 0.357 nan 8.270 nan 0.000 0.464 399 E N 0.443 120.594 120.200 -0.081 0.000 2.418 399 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 399 E C 0.664 177.222 176.600 -0.070 0.000 1.026 399 E CA 0.946 57.314 56.400 -0.054 0.000 0.862 399 E CB 0.535 30.223 29.700 -0.020 0.000 0.799 399 E HN 0.197 nan 8.360 nan 0.000 0.518 400 V N -2.108 117.739 119.914 -0.113 0.000 2.647 400 V HA 0.585 4.705 4.120 -0.000 0.000 0.305 400 V C 0.379 176.360 176.094 -0.188 0.000 1.162 400 V CA -0.584 61.653 62.300 -0.105 0.000 1.248 400 V CB 0.200 31.994 31.823 -0.047 0.000 1.508 400 V HN -0.019 nan 8.190 nan 0.000 0.647 411 D N 0.671 121.071 120.400 0.000 0.000 2.255 411 D HA 0.294 4.934 4.640 -0.000 0.000 0.249 411 D C 1.130 177.429 176.300 -0.001 0.000 1.078 411 D CA 0.185 54.184 54.000 -0.001 0.000 0.896 411 D CB 2.345 43.144 40.800 -0.002 0.000 1.194 411 D HN 0.063 nan 8.370 nan 0.000 0.429 412 A N 2.422 125.240 122.820 -0.004 0.000 2.032 412 A HA -0.105 4.215 4.320 -0.000 0.000 0.221 412 A C 2.113 179.693 177.584 -0.006 0.000 1.165 412 A CA 2.175 54.208 52.037 -0.006 0.000 0.645 412 A CB -0.724 18.271 19.000 -0.008 0.000 0.807 412 A HN 0.746 nan 8.150 nan 0.000 0.453 413 A N -0.460 122.357 122.820 -0.005 0.000 1.855 413 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 413 A C 2.324 179.908 177.584 0.001 0.000 1.191 413 A CA 2.255 54.290 52.037 -0.004 0.000 0.613 413 A CB -1.193 17.805 19.000 -0.004 0.000 0.829 413 A HN 0.787 nan 8.150 nan 0.000 0.442 414 T N -2.834 111.723 114.554 0.004 0.000 3.129 414 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 414 T C 1.590 176.302 174.700 0.019 0.000 1.117 414 T CA 0.959 63.066 62.100 0.012 0.000 1.034 414 T CB 0.152 69.025 68.868 0.008 0.000 0.968 414 T HN 0.518 nan 8.240 nan 0.000 0.526 415 Q N 0.351 120.159 119.800 0.013 0.000 2.269 415 Q HA -0.010 4.330 4.340 -0.000 0.000 0.201 415 Q C 2.371 178.380 176.000 0.014 0.000 0.946 415 Q CA 0.688 56.500 55.803 0.015 0.000 0.877 415 Q CB -0.005 28.736 28.738 0.006 0.000 0.963 415 Q HN 0.517 nan 8.270 nan 0.000 0.472 416 Q N 0.300 120.102 119.800 0.004 0.000 2.230 416 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 416 Q C 1.609 177.610 176.000 0.002 0.000 0.963 416 Q CA 1.248 57.046 55.803 -0.009 0.000 0.866 416 Q CB -0.050 28.676 28.738 -0.021 0.000 0.931 416 Q HN 0.449 nan 8.270 nan 0.000 0.452 417 L N -0.642 120.599 121.223 0.029 0.000 2.109 417 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 417 L C 2.217 179.176 176.870 0.147 0.000 1.086 417 L CA 0.739 55.618 54.840 0.066 0.000 0.760 417 L CB -0.399 41.703 42.059 0.072 0.000 0.910 417 L HN 0.235 nan 8.230 nan 0.000 0.437 418 L N -0.877 120.442 121.223 0.160 0.000 2.109 418 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 418 L C 2.710 179.647 176.870 0.112 0.000 1.086 418 L CA 0.824 55.817 54.840 0.254 0.000 0.760 418 L CB -0.212 41.947 42.059 0.167 0.000 0.910 418 L HN 0.164 nan 8.230 nan 0.000 0.437 419 S N -0.528 115.192 115.700 0.034 0.000 2.356 419 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 419 S C 2.028 176.581 174.600 -0.078 0.000 1.032 419 S CA 1.329 59.517 58.200 -0.021 0.000 1.005 419 S CB -0.213 62.972 63.200 -0.025 0.000 0.867 419 S HN 0.270 nan 8.310 nan 0.000 0.449 420 R N 1.495 121.941 120.500 -0.090 0.000 2.073 420 R HA 0.043 4.383 4.340 -0.000 0.000 0.229 420 R C 2.296 178.453 176.300 -0.239 0.000 1.120 420 R CA 1.663 57.681 56.100 -0.136 0.000 0.967 420 R CB -1.242 28.995 30.300 -0.105 0.000 0.862 420 R HN 0.355 nan 8.270 nan 0.000 0.436 421 G N 0.133 108.708 108.800 -0.374 0.000 2.459 421 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 421 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 421 G C 1.444 175.760 174.900 -0.975 0.000 1.183 421 G CA 1.466 45.982 45.100 -0.973 0.000 0.776 421 G HN 0.344 nan 8.290 nan 0.000 0.552 422 V N -0.929 118.603 119.914 -0.637 0.000 2.469 422 V HA -0.090 4.030 4.120 -0.000 0.000 0.251 422 V C 2.569 178.553 176.094 -0.184 0.000 1.064 422 V CA 2.197 64.336 62.300 -0.268 0.000 1.066 422 V CB -0.625 31.165 31.823 -0.055 0.000 0.667 422 V HN 0.329 nan 8.190 nan 0.000 0.461 423 R N -0.028 120.359 120.500 -0.188 0.000 2.100 423 R HA 0.279 4.619 4.340 -0.000 0.000 0.220 423 R C 2.370 178.598 176.300 -0.119 0.000 1.091 423 R CA 1.275 57.298 56.100 -0.129 0.000 0.986 423 R CB -0.387 29.837 30.300 -0.126 0.000 0.888 423 R HN 0.451 nan 8.270 nan 0.000 0.444 424 L N 0.052 121.180 121.223 -0.158 0.000 2.083 424 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 424 L C 2.152 178.968 176.870 -0.090 0.000 1.083 424 L CA 1.290 56.061 54.840 -0.115 0.000 0.752 424 L CB -0.673 41.309 42.059 -0.129 0.000 0.899 424 L HN 0.212 nan 8.230 nan 0.000 0.433 425 T N -0.791 113.686 114.554 -0.129 0.000 2.759 425 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 425 T C 1.759 176.442 174.700 -0.029 0.000 1.042 425 T CA 1.199 63.260 62.100 -0.065 0.000 1.140 425 T CB -0.118 68.713 68.868 -0.061 0.000 0.864 425 T HN 0.328 nan 8.240 nan 0.000 0.455 426 E N 0.972 121.151 120.200 -0.035 0.000 2.152 426 E HA 0.064 4.414 4.350 -0.000 0.000 0.192 426 E C 2.344 178.950 176.600 0.009 0.000 0.983 426 E CA 0.425 56.820 56.400 -0.008 0.000 0.818 426 E CB -0.373 29.325 29.700 -0.004 0.000 0.758 426 E HN 0.449 nan 8.360 nan 0.000 0.467 427 L N 0.421 121.647 121.223 0.005 0.000 2.083 427 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 427 L C 2.290 179.175 176.870 0.026 0.000 1.083 427 L CA 0.970 55.827 54.840 0.029 0.000 0.752 427 L CB -0.287 41.787 42.059 0.025 0.000 0.899 427 L HN 0.123 nan 8.230 nan 0.000 0.433 428 L N -0.884 120.347 121.223 0.012 0.000 2.591 428 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 428 L C 0.825 177.701 176.870 0.011 0.000 1.133 428 L CA 0.052 54.901 54.840 0.015 0.000 0.880 428 L CB -0.267 41.801 42.059 0.014 0.000 1.033 428 L HN 0.090 nan 8.230 nan 0.000 0.450 429 K N 1.371 121.775 120.400 0.007 0.000 2.382 429 K HA 0.200 4.520 4.320 -0.000 0.000 0.275 429 K C -0.128 176.470 176.600 -0.003 0.000 1.009 429 K CA 0.384 56.670 56.287 -0.003 0.000 0.970 429 K CB 0.636 33.132 32.500 -0.007 0.000 0.934 429 K HN 0.005 nan 8.250 nan 0.000 0.479 430 Q N 0.642 120.433 119.800 -0.016 0.000 2.352 430 Q HA 0.301 4.641 4.340 -0.000 0.000 0.270 430 Q C -0.755 175.220 176.000 -0.042 0.000 1.006 430 Q CA -0.590 55.202 55.803 -0.019 0.000 0.880 430 Q CB 1.797 30.527 28.738 -0.013 0.000 1.392 430 Q HN 0.810 nan 8.270 nan 0.000 0.401 431 G N 1.578 110.352 108.800 -0.043 0.000 2.621 431 G HA2 0.229 4.189 3.960 -0.000 0.000 0.271 431 G HA3 0.229 4.189 3.960 -0.000 0.000 0.271 431 G C -0.560 174.271 174.900 -0.116 0.000 1.236 431 G CA -0.201 44.858 45.100 -0.067 0.000 0.958 431 G HN 0.588 nan 8.290 nan 0.000 0.512 432 Q N -1.518 118.160 119.800 -0.203 0.000 2.260 432 Q HA 0.351 4.691 4.340 -0.000 0.000 0.238 432 Q C -0.529 175.269 176.000 -0.336 0.000 0.948 432 Q CA -0.409 55.111 55.803 -0.471 0.000 0.895 432 Q CB 0.931 29.104 28.738 -0.942 0.000 1.218 432 Q HN 0.617 nan 8.270 nan 0.000 0.470 433 Y N -1.288 119.014 120.300 0.004 0.000 4.604 433 Y HA -0.270 4.280 4.550 -0.000 0.000 0.230 433 Y C 0.179 176.076 175.900 -0.004 0.000 1.066 433 Y CA 0.233 58.331 58.100 -0.002 0.000 1.990 433 Y CB -1.752 36.703 38.460 -0.009 0.000 1.619 433 Y HN 0.333 nan 8.280 nan 0.000 0.649 434 S N 0.754 116.495 115.700 0.069 0.000 2.139 434 S HA 0.309 4.779 4.470 -0.000 0.000 0.183 434 S C -2.336 172.275 174.600 0.018 0.000 1.473 434 S CA -0.962 57.263 58.200 0.041 0.000 1.263 434 S CB 0.609 63.824 63.200 0.025 0.000 1.170 434 S HN 0.036 nan 8.310 nan 0.000 0.430 435 P HA 0.304 nan 4.420 nan 0.000 0.275 435 P C -0.491 176.812 177.300 0.005 0.000 1.227 435 P CA -0.228 62.885 63.100 0.021 0.000 0.781 435 P CB 0.497 32.223 31.700 0.042 0.000 0.906 436 M N 1.664 121.265 119.600 0.003 0.000 2.423 436 M HA 0.539 5.019 4.480 -0.000 0.000 0.335 436 M C 0.522 176.811 176.300 -0.018 0.000 1.177 436 M CA -0.876 54.415 55.300 -0.015 0.000 1.038 436 M CB 1.539 34.133 32.600 -0.011 0.000 1.641 436 M HN 0.302 nan 8.290 nan 0.000 0.455 437 A N 1.560 124.349 122.820 -0.051 0.000 2.483 437 A HA 0.124 4.444 4.320 -0.000 0.000 0.238 437 A C 1.029 178.604 177.584 -0.016 0.000 1.070 437 A CA -0.332 51.668 52.037 -0.062 0.000 0.770 437 A CB -0.022 18.916 19.000 -0.105 0.000 1.008 437 A HN 0.964 nan 8.150 nan 0.000 0.497 438 I N 1.027 121.608 120.570 0.020 0.000 2.194 438 I HA -0.258 3.912 4.170 -0.000 0.000 0.246 438 I C 2.523 178.647 176.117 0.012 0.000 1.093 438 I CA 2.526 63.847 61.300 0.034 0.000 1.355 438 I CB -0.281 37.757 38.000 0.063 0.000 1.046 438 I HN 0.858 nan 8.210 nan 0.000 0.413 439 E N 0.561 120.756 120.200 -0.009 0.000 2.153 439 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 439 E C 1.728 178.307 176.600 -0.035 0.000 0.988 439 E CA 1.592 57.978 56.400 -0.024 0.000 0.811 439 E CB -0.769 28.905 29.700 -0.043 0.000 0.746 439 E HN 0.674 nan 8.360 nan 0.000 0.466 440 E N 1.065 121.239 120.200 -0.045 0.000 2.072 440 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 440 E C 2.338 178.931 176.600 -0.011 0.000 0.985 440 E CA 1.251 57.618 56.400 -0.055 0.000 0.801 440 E CB -0.169 29.490 29.700 -0.068 0.000 0.750 440 E HN 0.424 nan 8.360 nan 0.000 0.452 441 Q N 0.605 120.411 119.800 0.010 0.000 2.050 441 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 441 Q C 2.556 178.595 176.000 0.065 0.000 0.980 441 Q CA 1.582 57.407 55.803 0.037 0.000 0.840 441 Q CB -0.335 28.423 28.738 0.034 0.000 0.898 441 Q HN 0.226 nan 8.270 nan 0.000 0.424 442 V N 0.615 120.564 119.914 0.060 0.000 2.343 442 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 442 V C 2.103 178.282 176.094 0.141 0.000 1.051 442 V CA 1.993 64.347 62.300 0.090 0.000 1.036 442 V CB -0.704 31.158 31.823 0.066 0.000 0.654 442 V HN 0.369 nan 8.190 nan 0.000 0.451 443 A N -0.132 122.748 122.820 0.100 0.000 1.892 443 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 443 A C 2.402 180.198 177.584 0.353 0.000 1.188 443 A CA 2.602 54.733 52.037 0.157 0.000 0.631 443 A CB -1.072 17.936 19.000 0.012 0.000 0.822 443 A HN 0.532 nan 8.150 nan 0.000 0.447 444 V N 0.597 120.672 119.914 0.269 0.000 2.295 444 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 444 V C 2.413 178.644 176.094 0.228 0.000 1.049 444 V CA 1.797 64.276 62.300 0.299 0.000 1.024 444 V CB -0.631 31.300 31.823 0.181 0.000 0.648 444 V HN 0.539 nan 8.190 nan 0.000 0.447 445 I N -0.712 119.963 120.570 0.174 0.000 2.394 445 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 445 I C 2.348 178.554 176.117 0.150 0.000 1.136 445 I CA 1.699 63.076 61.300 0.128 0.000 1.425 445 I CB -1.340 36.718 38.000 0.095 0.000 1.079 445 I HN 0.410 nan 8.210 nan 0.000 0.425 446 Y N 2.355 122.714 120.300 0.097 0.000 2.165 446 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 446 Y C 2.650 178.632 175.900 0.136 0.000 1.155 446 Y CA 1.981 60.145 58.100 0.108 0.000 1.164 446 Y CB -0.214 38.318 38.460 0.121 0.000 0.978 446 Y HN 0.126 nan 8.280 nan 0.000 0.513 447 A N -0.005 122.955 122.820 0.233 0.000 1.940 447 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 447 A C 2.449 180.050 177.584 0.028 0.000 1.176 447 A CA 1.900 54.014 52.037 0.127 0.000 0.631 447 A CB -1.669 17.332 19.000 0.002 0.000 0.814 447 A HN 0.608 nan 8.150 nan 0.000 0.446 448 G N -0.501 108.296 108.800 -0.005 0.000 2.394 448 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.214 448 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.214 448 G C 1.535 176.365 174.900 -0.116 0.000 1.176 448 G CA 1.578 46.639 45.100 -0.064 0.000 0.786 448 G HN 1.000 nan 8.290 nan 0.000 0.533 449 V N -1.999 117.842 119.914 -0.122 0.000 3.041 449 V HA 0.233 4.353 4.120 -0.000 0.000 0.260 449 V C 2.016 177.972 176.094 -0.230 0.000 1.105 449 V CA 0.837 63.050 62.300 -0.146 0.000 1.125 449 V CB -0.268 31.497 31.823 -0.097 0.000 0.730 449 V HN 0.113 nan 8.190 nan 0.000 0.479 450 R N 0.986 121.280 120.500 -0.343 0.000 2.359 450 R HA 0.368 4.708 4.340 -0.000 0.000 0.231 450 R C 1.677 177.618 176.300 -0.598 0.000 0.913 450 R CA 0.518 56.332 56.100 -0.476 0.000 1.075 450 R CB 0.056 29.975 30.300 -0.636 0.000 1.087 450 R HN 0.802 nan 8.270 nan 0.000 0.515 451 G N 0.724 109.277 108.800 -0.412 0.000 2.159 451 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.256 451 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.256 451 G C 0.485 175.171 174.900 -0.357 0.000 0.977 451 G CA 0.116 45.003 45.100 -0.355 0.000 0.652 451 G HN 0.448 nan 8.290 nan 0.000 0.531 452 Y N -0.081 120.098 120.300 -0.202 0.000 2.680 452 Y HA 0.309 4.859 4.550 -0.000 0.000 0.303 452 Y C 2.475 178.180 175.900 -0.325 0.000 1.166 452 Y CA 1.021 58.989 58.100 -0.220 0.000 1.344 452 Y CB 0.065 38.405 38.460 -0.201 0.000 1.002 452 Y HN 0.402 nan 8.280 nan 0.000 0.537 453 L N -1.512 119.589 121.223 -0.204 0.000 2.672 453 L HA 0.063 4.403 4.340 -0.000 0.000 0.236 453 L C 1.186 177.944 176.870 -0.187 0.000 1.092 453 L CA -0.018 54.652 54.840 -0.283 0.000 0.887 453 L CB 0.051 41.946 42.059 -0.272 0.000 1.168 453 L HN -0.033 nan 8.230 nan 0.000 0.502 454 D N 1.279 121.586 120.400 -0.155 0.000 2.228 454 D HA -0.179 4.461 4.640 -0.000 0.000 0.203 454 D C 1.873 178.119 176.300 -0.090 0.000 0.988 454 D CA 1.254 55.183 54.000 -0.119 0.000 0.864 454 D CB 0.082 40.810 40.800 -0.121 0.000 0.928 454 D HN 0.282 nan 8.370 nan 0.000 0.469 455 K N -0.442 119.906 120.400 -0.087 0.000 2.314 455 K HA 0.115 4.435 4.320 -0.000 0.000 0.198 455 K C 0.699 177.270 176.600 -0.048 0.000 1.045 455 K CA -0.050 56.203 56.287 -0.057 0.000 0.988 455 K CB 0.521 32.996 32.500 -0.042 0.000 0.783 455 K HN 0.136 nan 8.250 nan 0.000 0.484 456 L N 2.005 123.184 121.223 -0.074 0.000 2.417 456 L HA 0.068 4.408 4.340 -0.000 0.000 0.268 456 L C 0.363 177.213 176.870 -0.032 0.000 1.158 456 L CA -0.136 54.675 54.840 -0.048 0.000 0.819 456 L CB 0.572 42.570 42.059 -0.101 0.000 1.112 456 L HN 0.034 nan 8.230 nan 0.000 0.458 457 E N 3.151 123.352 120.200 0.000 0.000 2.354 457 E HA 0.053 4.403 4.350 -0.000 0.000 0.269 457 E C -1.600 175.005 176.600 0.008 0.000 1.036 457 E CA -1.443 54.959 56.400 0.005 0.000 0.876 457 E CB 0.878 30.588 29.700 0.016 0.000 1.009 457 E HN 0.357 nan 8.360 nan 0.000 0.416 458 P HA -0.212 nan 4.420 nan 0.000 0.216 458 P C 1.165 178.476 177.300 0.019 0.000 1.150 458 P CA 1.291 64.390 63.100 -0.001 0.000 0.837 458 P CB 0.140 31.839 31.700 -0.001 0.000 0.786 459 S N -0.895 114.822 115.700 0.028 0.000 2.500 459 S HA -0.088 4.382 4.470 -0.000 0.000 0.239 459 S C 1.440 176.080 174.600 0.065 0.000 0.989 459 S CA 0.992 59.216 58.200 0.039 0.000 0.951 459 S CB -0.802 62.418 63.200 0.033 0.000 0.759 459 S HN 0.221 nan 8.310 nan 0.000 0.523 460 K N 0.062 120.512 120.400 0.083 0.000 2.373 460 K HA 0.380 4.700 4.320 -0.000 0.000 0.202 460 K C 0.848 177.552 176.600 0.174 0.000 1.025 460 K CA -0.236 56.142 56.287 0.153 0.000 1.115 460 K CB 0.247 32.857 32.500 0.184 0.000 0.858 460 K HN 0.270 nan 8.250 nan 0.000 0.525 461 I N 0.918 121.548 120.570 0.101 0.000 2.233 461 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 461 I C 1.858 178.066 176.117 0.152 0.000 1.093 461 I CA 1.552 62.907 61.300 0.092 0.000 1.380 461 I CB -1.014 37.000 38.000 0.023 0.000 1.067 461 I HN 0.095 nan 8.210 nan 0.000 0.413 462 T N 0.987 115.609 114.554 0.113 0.000 2.684 462 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 462 T C 1.979 176.756 174.700 0.129 0.000 1.036 462 T CA 1.734 63.894 62.100 0.101 0.000 1.148 462 T CB -0.181 68.726 68.868 0.065 0.000 0.863 462 T HN 0.248 nan 8.240 nan 0.000 0.436 463 K N 0.095 120.597 120.400 0.170 0.000 2.063 463 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 463 K C 2.018 178.761 176.600 0.239 0.000 1.048 463 K CA 1.375 57.801 56.287 0.233 0.000 0.928 463 K CB -0.345 32.339 32.500 0.306 0.000 0.713 463 K HN 0.348 nan 8.250 nan 0.000 0.442 464 F N 1.815 121.762 119.950 -0.005 0.000 2.134 464 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 464 F C 2.228 177.959 175.800 -0.115 0.000 1.097 464 F CA 1.844 59.623 58.000 -0.370 0.000 1.264 464 F CB -0.204 38.551 39.000 -0.408 0.000 1.001 464 F HN 0.168 nan 8.300 nan 0.000 0.479 465 E N 0.311 120.545 120.200 0.057 0.000 2.051 465 E HA -0.271 4.079 4.350 -0.000 0.000 0.192 465 E C 1.791 178.364 176.600 -0.045 0.000 0.991 465 E CA 1.884 58.308 56.400 0.040 0.000 0.799 465 E CB -0.363 29.410 29.700 0.122 0.000 0.748 465 E HN 0.627 nan 8.360 nan 0.000 0.449 466 N N 0.008 118.700 118.700 -0.014 0.000 2.244 466 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 466 N C 1.737 177.230 175.510 -0.029 0.000 1.016 466 N CA 0.882 53.924 53.050 -0.014 0.000 0.866 466 N CB -0.069 38.434 38.487 0.027 0.000 0.980 466 N HN 0.159 nan 8.380 nan 0.000 0.430 467 A N 0.547 123.363 122.820 -0.006 0.000 1.929 467 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 467 A C 1.871 179.394 177.584 -0.102 0.000 1.176 467 A CA 0.748 52.839 52.037 0.090 0.000 0.628 467 A CB -0.677 18.523 19.000 0.334 0.000 0.816 467 A HN 0.377 nan 8.150 nan 0.000 0.444 468 F N -0.075 119.495 119.950 -0.633 0.000 2.259 468 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 468 F C 1.663 177.121 175.800 -0.570 0.000 1.088 468 F CA 1.060 58.405 58.000 -1.090 0.000 1.358 468 F CB -0.178 38.033 39.000 -1.315 0.000 1.040 468 F HN 0.182 nan 8.300 nan 0.000 0.505 469 L N 0.535 121.474 121.223 -0.473 0.000 1.988 469 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 469 L C 2.679 179.343 176.870 -0.345 0.000 1.071 469 L CA 2.366 56.956 54.840 -0.417 0.000 0.744 469 L CB -1.284 40.658 42.059 -0.195 0.000 0.893 469 L HN 0.253 nan 8.230 nan 0.000 0.433 470 S N -1.954 113.621 115.700 -0.208 0.000 2.500 470 S HA -0.228 4.242 4.470 -0.000 0.000 0.239 470 S C 1.998 176.521 174.600 -0.128 0.000 0.989 470 S CA 0.997 59.115 58.200 -0.137 0.000 0.951 470 S CB -1.019 62.145 63.200 -0.061 0.000 0.759 470 S HN 0.693 nan 8.310 nan 0.000 0.523 471 H N 1.813 120.700 119.070 -0.305 0.000 2.317 471 H HA -0.015 4.541 4.556 -0.000 0.000 0.304 471 H C 2.195 177.353 175.328 -0.282 0.000 1.067 471 H CA 1.900 57.784 56.048 -0.274 0.000 1.352 471 H CB -0.045 29.470 29.762 -0.413 0.000 1.398 471 H HN 0.409 nan 8.280 nan 0.000 0.510 472 V N -0.520 119.039 119.914 -0.590 0.000 2.626 472 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 472 V C 2.529 178.424 176.094 -0.332 0.000 1.067 472 V CA 1.313 63.311 62.300 -0.504 0.000 1.081 472 V CB -0.806 30.644 31.823 -0.621 0.000 0.686 472 V HN 0.285 nan 8.190 nan 0.000 0.468 473 I N 0.841 121.231 120.570 -0.299 0.000 2.193 473 I HA -0.169 4.001 4.170 -0.000 0.000 0.240 473 I C 2.895 178.898 176.117 -0.190 0.000 1.084 473 I CA 1.897 63.072 61.300 -0.209 0.000 1.365 473 I CB -0.449 37.447 38.000 -0.173 0.000 1.064 473 I HN 0.401 nan 8.210 nan 0.000 0.410 474 S N 0.067 115.648 115.700 -0.198 0.000 2.335 474 S HA -0.178 4.292 4.470 -0.000 0.000 0.216 474 S C 2.035 176.497 174.600 -0.229 0.000 1.032 474 S CA 1.288 59.385 58.200 -0.171 0.000 1.000 474 S CB -0.066 63.061 63.200 -0.122 0.000 0.928 474 S HN 0.334 nan 8.310 nan 0.000 0.434 475 Q N -0.155 119.431 119.800 -0.358 0.000 2.212 475 Q HA 0.078 4.418 4.340 -0.000 0.000 0.199 475 Q C 0.177 175.790 176.000 -0.645 0.000 0.950 475 Q CA 0.981 56.472 55.803 -0.519 0.000 0.863 475 Q CB -0.154 28.172 28.738 -0.688 0.000 0.944 475 Q HN 0.738 nan 8.270 nan 0.000 0.465 476 H N 0.206 119.109 119.070 -0.278 0.000 2.355 476 H HA 0.215 4.771 4.556 0.000 0.000 0.232 476 H C 0.853 176.069 175.328 -0.186 0.000 1.422 476 H CA -0.219 55.697 56.048 -0.219 0.000 1.261 476 H CB 0.691 30.305 29.762 -0.247 0.000 1.595 476 H HN -0.033 nan 8.280 nan 0.000 0.529 477 Q N 0.824 120.570 119.800 -0.090 0.000 2.167 477 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 477 Q C 2.217 178.180 176.000 -0.062 0.000 0.970 477 Q CA 1.075 56.827 55.803 -0.086 0.000 0.855 477 Q CB 0.113 28.797 28.738 -0.091 0.000 0.911 477 Q HN 0.695 nan 8.270 nan 0.000 0.438 478 A N 0.780 123.575 122.820 -0.042 0.000 1.902 478 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 478 A C 2.103 179.664 177.584 -0.038 0.000 1.181 478 A CA 0.901 52.919 52.037 -0.033 0.000 0.623 478 A CB -0.639 18.350 19.000 -0.018 0.000 0.818 478 A HN 0.356 nan 8.150 nan 0.000 0.443 479 L N -0.587 120.612 121.223 -0.039 0.000 2.027 479 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 479 L C 2.482 179.306 176.870 -0.077 0.000 1.074 479 L CA 1.332 56.132 54.840 -0.067 0.000 0.745 479 L CB -0.327 41.671 42.059 -0.101 0.000 0.898 479 L HN 0.426 nan 8.230 nan 0.000 0.433 480 L N -0.372 120.802 121.223 -0.083 0.000 2.056 480 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 480 L C 3.035 179.863 176.870 -0.069 0.000 1.078 480 L CA 1.349 56.138 54.840 -0.086 0.000 0.749 480 L CB -0.999 40.998 42.059 -0.103 0.000 0.901 480 L HN 0.362 nan 8.230 nan 0.000 0.433 481 S N 0.364 116.026 115.700 -0.064 0.000 2.383 481 S HA -0.266 4.204 4.470 -0.000 0.000 0.229 481 S C 2.147 176.721 174.600 -0.044 0.000 1.030 481 S CA 2.019 60.187 58.200 -0.054 0.000 1.002 481 S CB -0.294 nan 63.200 nan 0.000 0.829 481 S HN 0.133 nan 8.310 nan 0.000 0.467 482 K N 0.863 121.237 120.400 -0.044 0.000 2.062 482 K HA 0.197 4.517 4.320 -0.000 0.000 0.205 482 K C 1.672 178.251 176.600 -0.034 0.000 1.051 482 K CA 0.903 57.168 56.287 -0.037 0.000 0.941 482 K CB -0.435 32.042 32.500 -0.038 0.000 0.719 482 K HN 0.544 nan 8.250 nan 0.000 0.440 483 I N 0.215 120.760 120.570 -0.042 0.000 2.226 483 I HA -0.260 3.909 4.170 -0.000 0.000 0.245 483 I C 2.531 178.634 176.117 -0.023 0.000 1.100 483 I CA 1.242 62.521 61.300 -0.035 0.000 1.374 483 I CB -0.222 37.751 38.000 -0.046 0.000 1.057 483 I HN 0.194 nan 8.210 nan 0.000 0.413 484 R N 0.494 120.978 120.500 -0.026 0.000 2.092 484 R HA -0.143 4.197 4.340 -0.000 0.000 0.231 484 R C 2.133 178.428 176.300 -0.008 0.000 1.119 484 R CA 1.985 58.076 56.100 -0.015 0.000 0.970 484 R CB -0.216 30.067 30.300 -0.029 0.000 0.864 484 R HN 0.238 nan 8.270 nan 0.000 0.440 485 T N 0.814 115.359 114.554 -0.015 0.000 2.809 485 T HA -0.057 4.293 4.350 -0.000 0.000 0.260 485 T C 1.100 175.796 174.700 -0.007 0.000 1.039 485 T CA 1.287 63.381 62.100 -0.011 0.000 1.141 485 T CB -0.257 68.602 68.868 -0.016 0.000 0.869 485 T HN 0.278 nan 8.240 nan 0.000 0.437 486 D N 0.632 121.026 120.400 -0.010 0.000 2.144 486 D HA 0.032 4.672 4.640 -0.000 0.000 0.200 486 D C 1.876 178.174 176.300 -0.003 0.000 0.978 486 D CA 1.347 55.343 54.000 -0.007 0.000 0.833 486 D CB -0.561 40.233 40.800 -0.010 0.000 0.961 486 D HN 0.540 nan 8.370 nan 0.000 0.470 487 G N 0.625 109.424 108.800 -0.002 0.000 2.162 487 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 487 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 487 G C 0.456 175.358 174.900 0.004 0.000 0.976 487 G CA 0.737 45.838 45.100 0.003 0.000 0.655 487 G HN 0.466 nan 8.290 nan 0.000 0.533 488 K N -0.617 119.783 120.400 0.000 0.000 2.480 488 K HA 0.715 5.035 4.320 -0.000 0.000 0.258 488 K C -0.814 175.784 176.600 -0.003 0.000 0.990 488 K CA -1.230 55.059 56.287 0.003 0.000 0.857 488 K CB 1.328 33.831 32.500 0.004 0.000 1.384 488 K HN 0.068 nan 8.250 nan 0.000 0.446 489 I N 2.987 123.559 120.570 0.004 0.000 2.307 489 I HA 0.111 4.281 4.170 -0.000 0.000 0.287 489 I C 0.409 176.526 176.117 0.000 0.000 1.054 489 I CA -0.439 60.856 61.300 -0.008 0.000 1.218 489 I CB 1.349 39.351 38.000 0.004 0.000 1.398 489 I HN 0.559 nan 8.210 nan 0.000 0.475 490 S N 3.235 118.930 115.700 -0.010 0.000 2.634 490 S HA 0.197 4.667 4.470 -0.000 0.000 0.261 490 S C 0.981 175.582 174.600 0.001 0.000 1.271 490 S CA -0.506 57.693 58.200 -0.002 0.000 0.985 490 S CB 1.277 64.473 63.200 -0.007 0.000 0.968 490 S HN 0.677 nan 8.310 nan 0.000 0.568 491 E N 0.043 120.248 120.200 0.008 0.000 2.204 491 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 491 E C 1.846 178.450 176.600 0.007 0.000 0.990 491 E CA 1.217 57.625 56.400 0.014 0.000 0.821 491 E CB -0.049 29.660 29.700 0.016 0.000 0.750 491 E HN 0.807 nan 8.360 nan 0.000 0.477 492 E N -0.119 120.079 120.200 -0.003 0.000 2.046 492 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 492 E C 1.856 178.439 176.600 -0.028 0.000 0.982 492 E CA 1.667 58.060 56.400 -0.011 0.000 0.800 492 E CB -0.153 29.540 29.700 -0.012 0.000 0.756 492 E HN -0.022 nan 8.360 nan 0.000 0.449 493 S N 0.419 116.094 115.700 -0.041 0.000 2.402 493 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 493 S C 1.482 176.015 174.600 -0.112 0.000 1.021 493 S CA 1.140 59.294 58.200 -0.077 0.000 0.974 493 S CB -0.424 62.730 63.200 -0.077 0.000 0.800 493 S HN 0.400 nan 8.310 nan 0.000 0.484 494 D N 1.699 122.059 120.400 -0.066 0.000 2.144 494 D HA 0.003 4.643 4.640 -0.000 0.000 0.200 494 D C 1.938 178.238 176.300 0.000 0.000 0.978 494 D CA 1.231 55.207 54.000 -0.041 0.000 0.833 494 D CB -0.262 40.574 40.800 0.059 0.000 0.961 494 D HN 0.320 nan 8.370 nan 0.000 0.470 495 A N -0.145 122.680 122.820 0.008 0.000 1.929 495 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 495 A C 2.155 179.734 177.584 -0.009 0.000 1.176 495 A CA 1.451 53.503 52.037 0.025 0.000 0.628 495 A CB -0.376 18.637 19.000 0.023 0.000 0.816 495 A HN 0.118 nan 8.150 nan 0.000 0.444 496 K N -0.879 119.489 120.400 -0.053 0.000 2.097 496 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 496 K C 1.685 178.202 176.600 -0.139 0.000 1.050 496 K CA 0.846 57.080 56.287 -0.087 0.000 0.938 496 K CB -0.270 32.173 32.500 -0.096 0.000 0.718 496 K HN 0.330 nan 8.250 nan 0.000 0.442 497 L N 1.112 122.221 121.223 -0.190 0.000 2.109 497 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 497 L C 2.018 178.814 176.870 -0.124 0.000 1.086 497 L CA 1.696 56.367 54.840 -0.282 0.000 0.760 497 L CB -0.547 41.118 42.059 -0.657 0.000 0.910 497 L HN 0.115 nan 8.230 nan 0.000 0.437 498 K N -0.645 119.766 120.400 0.019 0.000 2.020 498 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 498 K C 1.956 178.573 176.600 0.028 0.000 1.050 498 K CA 1.663 58.051 56.287 0.168 0.000 0.929 498 K CB -0.154 32.490 32.500 0.240 0.000 0.714 498 K HN 0.288 nan 8.250 nan 0.000 0.443 499 E N 0.666 120.874 120.200 0.014 0.000 2.035 499 E HA -0.244 4.106 4.350 -0.000 0.000 0.204 499 E C 2.126 178.730 176.600 0.006 0.000 1.025 499 E CA 2.103 58.508 56.400 0.008 0.000 0.835 499 E CB -0.331 29.364 29.700 -0.008 0.000 0.764 499 E HN 0.441 nan 8.360 nan 0.000 0.457 500 I N 0.702 121.254 120.570 -0.030 0.000 2.226 500 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 500 I C 2.549 178.763 176.117 0.162 0.000 1.100 500 I CA 0.764 62.088 61.300 0.041 0.000 1.374 500 I CB -0.374 37.541 38.000 -0.140 0.000 1.057 500 I HN -0.049 nan 8.210 nan 0.000 0.413 501 V N 0.517 120.449 119.914 0.030 0.000 2.295 501 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 501 V C 2.520 178.505 176.094 -0.182 0.000 1.049 501 V CA 2.539 64.751 62.300 -0.147 0.000 1.024 501 V CB -1.204 30.307 31.823 -0.520 0.000 0.648 501 V HN 0.479 nan 8.190 nan 0.000 0.447 502 T N -0.055 114.359 114.554 -0.232 0.000 2.788 502 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 502 T C 1.710 176.444 174.700 0.056 0.000 1.044 502 T CA 1.751 63.815 62.100 -0.061 0.000 1.139 502 T CB -0.491 68.396 68.868 0.031 0.000 0.867 502 T HN 0.569 nan 8.240 nan 0.000 0.454 503 N N -0.087 118.668 118.700 0.092 0.000 2.244 503 N HA -0.012 4.728 4.740 -0.000 0.000 0.183 503 N C 1.514 177.123 175.510 0.166 0.000 1.016 503 N CA 0.753 53.880 53.050 0.129 0.000 0.866 503 N CB -0.129 38.450 38.487 0.154 0.000 0.980 503 N HN 0.278 nan 8.380 nan 0.000 0.430 504 F N 1.447 121.436 119.950 0.064 0.000 2.270 504 F HA 0.058 4.585 4.527 0.000 0.000 0.295 504 F C 2.036 177.921 175.800 0.141 0.000 1.087 504 F CA 0.212 58.246 58.000 0.057 0.000 1.365 504 F CB -0.151 38.901 39.000 0.087 0.000 1.056 504 F HN -0.108 nan 8.300 nan 0.000 0.506 505 L N 1.022 122.388 121.223 0.238 0.000 2.042 505 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 505 L C 2.222 179.157 176.870 0.109 0.000 1.076 505 L CA 2.299 57.259 54.840 0.199 0.000 0.749 505 L CB -1.243 40.888 42.059 0.121 0.000 0.893 505 L HN 0.090 nan 8.230 nan 0.000 0.432 506 A N -0.992 121.865 122.820 0.062 0.000 2.119 506 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 506 A C 2.064 179.638 177.584 -0.016 0.000 1.152 506 A CA 0.880 52.934 52.037 0.030 0.000 0.708 506 A CB -1.043 17.977 19.000 0.033 0.000 0.805 506 A HN 0.540 nan 8.150 nan 0.000 0.460 507 G N -2.027 106.730 108.800 -0.072 0.000 3.088 507 G HA2 0.334 4.294 3.960 -0.000 0.000 0.217 507 G HA3 0.334 4.294 3.960 -0.000 0.000 0.217 507 G C -0.008 174.751 174.900 -0.234 0.000 1.159 507 G CA -0.197 44.808 45.100 -0.157 0.000 0.760 507 G HN 0.308 nan 8.290 nan 0.000 0.550 508 F N 1.612 121.351 119.950 -0.352 0.000 2.420 508 F HA 0.591 5.118 4.527 0.000 0.000 0.342 508 F C 0.204 175.937 175.800 -0.113 0.000 1.113 508 F CA -1.311 56.515 58.000 -0.290 0.000 1.059 508 F CB 1.426 40.315 39.000 -0.185 0.000 1.128 508 F HN 0.042 nan 8.300 nan 0.000 0.475 509 E N 0.000 119.763 120.200 -0.728 0.000 2.725 509 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 509 E CA 0.000 56.115 56.400 -0.475 0.000 0.976 509 E CB 0.000 29.514 29.700 -0.310 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440