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 3nbb_1_E DATA FIRST_RESID 15 DATA SEQUENCE SAAPARPAHP LDPLSTAEIK AATNTVKSYF AGKKISFNTV TLREPARKAY DATA SEQUENCE IQWKEQGGPL PPRLAYYVIL EAGKPGVKEG LVDLASLSVI ETRALETVQP DATA SEQUENCE ILTVEDLCST EEVIRNDPAV IEQCVLSGIP ANEMHKVYCD PWTIGYDERW DATA SEQUENCE GTGKRLQQAL VYYRSDEDDS QYSHPLDFCP IVDTEEKKVI FIDIPNRRRK DATA SEQUENCE VSKHKHANFY PKHMIEKVGA MRPEAPPINV TQPEGVSFKM TGNVMEWSNF DATA SEQUENCE KFHIGFNYRE GIVLSDVSYN DHGNVRPIFH RISLSEMIVP FGSPEFPHQR DATA SEQUENCE KHALDIGEYG AGYMTNPLSL GCDcKGVIHY LDAHFSDRAG DPITVKNAVc DATA SEQUENCE IHEEDDGLLF KHSDFRDNFA TSLVTRATKL VVSQIFTAAN XEYCLYWVFM DATA SEQUENCE QDGAIRLDIR LTGILNTYIL GDDEEAGPWG TRVYPNVNAH NHQHLFSLRI DATA SEQUENCE DPRIDGDGNS AAACDAKSSP YPLGSPENMY GNAFYSEKTT FKTVKDSLTN DATA SEQUENCE YESATGRSWD IFNPNKVNPY SGKPPSYKLV STQCPPLLAK EGSLVAKRAP DATA SEQUENCE WASHSVNVVP YKDNRLYPSG DHVPQWSGDG VRGMREWIGD GSENIDNTDI DATA SEQUENCE LFFHTFGITH FPAPEDFPLM PAEPITLMLR PRHFFTENPG LDIQPSYAMT DATA SEQUENCE TSEAKRAVHK E 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.603 174.600 0.005 0.000 1.055 15 S CA 0.000 58.204 58.200 0.006 0.000 1.107 15 S CB 0.000 63.205 63.200 0.008 0.000 0.593 16 A N 1.054 123.877 122.820 0.004 0.000 2.302 16 A HA 0.721 5.041 4.320 0.000 0.000 0.219 16 A C 1.177 178.762 177.584 0.001 0.000 1.243 16 A CA 0.267 52.305 52.037 0.002 0.000 0.856 16 A CB -1.057 17.944 19.000 0.001 0.000 0.893 16 A HN 1.806 nan 8.150 nan 0.000 0.491 17 A N 1.954 124.776 122.820 0.004 0.000 2.540 17 A HA 0.466 4.786 4.320 0.000 0.000 0.239 17 A C -1.658 175.927 177.584 0.002 0.000 1.061 17 A CA -0.770 51.270 52.037 0.004 0.000 0.758 17 A CB -0.255 18.749 19.000 0.007 0.000 0.991 17 A HN 0.407 nan 8.150 nan 0.000 0.502 18 P HA 0.299 nan 4.420 nan 0.000 0.272 18 P C -0.104 177.198 177.300 0.002 0.000 1.230 18 P CA 0.021 63.119 63.100 -0.003 0.000 0.788 18 P CB 0.629 32.325 31.700 -0.006 0.000 0.949 19 A N 3.247 126.068 122.820 0.002 0.000 2.511 19 A HA 0.112 4.432 4.320 0.000 0.000 0.242 19 A C 0.660 178.251 177.584 0.012 0.000 1.069 19 A CA -0.167 51.875 52.037 0.008 0.000 0.763 19 A CB -0.322 18.683 19.000 0.008 0.000 1.001 19 A HN 0.475 nan 8.150 nan 0.000 0.498 20 R N 2.036 122.545 120.500 0.014 0.000 2.694 20 R HA 0.302 4.642 4.340 0.000 0.000 0.268 20 R C -1.930 174.386 176.300 0.027 0.000 1.061 20 R CA -0.924 55.185 56.100 0.014 0.000 1.133 20 R CB 0.076 30.381 30.300 0.008 0.000 1.020 20 R HN 0.661 nan 8.270 nan 0.000 0.475 21 P HA 0.090 nan 4.420 nan 0.000 0.276 21 P C -0.356 176.993 177.300 0.081 0.000 1.261 21 P CA -0.258 62.879 63.100 0.063 0.000 0.800 21 P CB 1.016 32.762 31.700 0.078 0.000 1.066 22 A N 0.362 123.253 122.820 0.118 0.000 1.930 22 A HA -0.117 4.203 4.320 0.000 0.000 0.217 22 A C 1.069 178.777 177.584 0.207 0.000 1.175 22 A CA 1.397 53.523 52.037 0.148 0.000 0.627 22 A CB -1.123 17.970 19.000 0.155 0.000 0.815 22 A HN 0.806 nan 8.150 nan 0.000 0.443 23 H N -2.364 116.773 119.070 0.111 0.000 2.600 23 H HA 0.427 4.983 4.556 0.000 0.000 0.357 23 H C -2.355 172.952 175.328 -0.034 0.000 1.106 23 H CA -1.975 54.139 56.048 0.110 0.000 1.193 23 H CB 2.062 31.971 29.762 0.244 0.000 1.594 23 H HN -0.107 nan 8.280 nan 0.000 0.526 24 P HA -0.153 nan 4.420 nan 0.000 0.220 24 P C 0.677 177.983 177.300 0.010 0.000 1.144 24 P CA 1.247 64.235 63.100 -0.187 0.000 0.800 24 P CB 0.273 31.654 31.700 -0.533 0.000 0.772 25 L N -2.091 119.236 121.223 0.172 0.000 2.607 25 L HA 0.140 4.480 4.340 0.000 0.000 0.228 25 L C 0.295 177.060 176.870 -0.175 0.000 1.123 25 L CA -0.186 54.508 54.840 -0.243 0.000 0.890 25 L CB -0.437 41.160 42.059 -0.770 0.000 1.103 25 L HN -0.111 nan 8.230 nan 0.000 0.468 26 D N 1.654 122.115 120.400 0.103 0.000 2.443 26 D HA 0.124 4.764 4.640 0.000 0.000 0.239 26 D C -2.032 174.366 176.300 0.163 0.000 1.136 26 D CA -0.968 53.179 54.000 0.245 0.000 0.879 26 D CB 0.676 41.610 40.800 0.223 0.000 1.195 26 D HN -0.065 nan 8.370 nan 0.000 0.443 27 P HA 0.058 nan 4.420 nan 0.000 0.271 27 P C -0.011 177.382 177.300 0.156 0.000 1.233 27 P CA -0.330 62.879 63.100 0.182 0.000 0.789 27 P CB 0.571 32.402 31.700 0.218 0.000 0.951 28 L N 0.674 121.989 121.223 0.153 0.000 2.490 28 L HA 0.070 4.410 4.340 0.000 0.000 0.274 28 L C 1.220 178.147 176.870 0.095 0.000 1.201 28 L CA 0.092 54.999 54.840 0.113 0.000 0.869 28 L CB -0.057 42.070 42.059 0.113 0.000 1.123 28 L HN 0.506 nan 8.230 nan 0.000 0.484 29 S N 0.231 115.950 115.700 0.031 0.000 2.624 29 S HA 0.143 4.613 4.470 0.000 0.000 0.263 29 S C 1.248 175.773 174.600 -0.126 0.000 1.287 29 S CA -0.192 57.970 58.200 -0.063 0.000 0.990 29 S CB 1.252 64.418 63.200 -0.057 0.000 0.950 29 S HN 0.730 nan 8.310 nan 0.000 0.561 30 T N -0.573 113.813 114.554 -0.280 0.000 2.833 30 T HA -0.063 4.287 4.350 0.000 0.000 0.269 30 T C 1.989 176.622 174.700 -0.111 0.000 1.054 30 T CA 1.071 63.044 62.100 -0.210 0.000 1.135 30 T CB -1.013 67.696 68.868 -0.264 0.000 0.869 30 T HN 0.848 nan 8.240 nan 0.000 0.466 31 A N 2.062 124.824 122.820 -0.097 0.000 1.902 31 A HA -0.101 4.219 4.320 0.000 0.000 0.217 31 A C 2.332 179.890 177.584 -0.043 0.000 1.181 31 A CA 1.540 53.541 52.037 -0.060 0.000 0.623 31 A CB -0.641 18.331 19.000 -0.047 0.000 0.818 31 A HN 0.610 nan 8.150 nan 0.000 0.443 32 E N -0.319 119.862 120.200 -0.031 0.000 2.110 32 E HA -0.135 4.215 4.350 0.000 0.000 0.193 32 E C 1.890 178.482 176.600 -0.014 0.000 0.988 32 E CA 1.107 57.502 56.400 -0.010 0.000 0.804 32 E CB -0.284 29.423 29.700 0.013 0.000 0.745 32 E HN 0.692 nan 8.360 nan 0.000 0.458 33 I N 1.065 121.623 120.570 -0.020 0.000 2.142 33 I HA -0.286 3.884 4.170 0.000 0.000 0.240 33 I C 2.491 178.555 176.117 -0.088 0.000 1.078 33 I CA 1.067 62.348 61.300 -0.030 0.000 1.343 33 I CB -0.171 37.824 38.000 -0.009 0.000 1.046 33 I HN -0.007 nan 8.210 nan 0.000 0.405 34 K N 1.529 121.878 120.400 -0.085 0.000 2.057 34 K HA -0.130 4.190 4.320 0.000 0.000 0.207 34 K C 2.014 178.560 176.600 -0.089 0.000 1.049 34 K CA 1.746 57.972 56.287 -0.102 0.000 0.931 34 K CB -0.449 32.007 32.500 -0.073 0.000 0.714 34 K HN 0.301 nan 8.250 nan 0.000 0.440 35 A N 0.360 123.146 122.820 -0.057 0.000 1.933 35 A HA -0.055 4.265 4.320 0.000 0.000 0.218 35 A C 2.355 179.915 177.584 -0.040 0.000 1.175 35 A CA 2.034 54.048 52.037 -0.037 0.000 0.628 35 A CB -1.001 17.987 19.000 -0.019 0.000 0.814 35 A HN 0.414 nan 8.150 nan 0.000 0.444 36 A N -0.223 122.569 122.820 -0.047 0.000 1.873 36 A HA -0.095 4.225 4.320 0.000 0.000 0.215 36 A C 2.472 179.997 177.584 -0.099 0.000 1.186 36 A CA 2.557 54.571 52.037 -0.039 0.000 0.616 36 A CB -1.424 17.574 19.000 -0.003 0.000 0.823 36 A HN 0.770 nan 8.150 nan 0.000 0.442 37 T N -1.879 112.535 114.554 -0.233 0.000 2.821 37 T HA -0.142 4.208 4.350 0.000 0.000 0.267 37 T C 1.659 176.288 174.700 -0.119 0.000 1.046 37 T CA 1.406 63.247 62.100 -0.432 0.000 1.139 37 T CB -0.554 67.769 68.868 -0.909 0.000 0.871 37 T HN 0.370 nan 8.240 nan 0.000 0.454 38 N N 1.403 120.054 118.700 -0.082 0.000 2.120 38 N HA -0.061 4.679 4.740 0.000 0.000 0.188 38 N C 2.100 177.627 175.510 0.028 0.000 1.024 38 N CA 1.833 54.877 53.050 -0.010 0.000 0.852 38 N CB -1.004 37.473 38.487 -0.017 0.000 1.003 38 N HN 0.501 nan 8.380 nan 0.000 0.424 39 T N 1.056 115.616 114.554 0.010 0.000 2.708 39 T HA -0.055 4.295 4.350 0.000 0.000 0.266 39 T C 2.173 176.898 174.700 0.042 0.000 1.037 39 T CA 0.955 63.068 62.100 0.021 0.000 1.146 39 T CB -0.350 68.519 68.868 0.001 0.000 0.865 39 T HN -0.022 nan 8.240 nan 0.000 0.435 40 V N 1.446 121.380 119.914 0.034 0.000 2.343 40 V HA -0.173 3.947 4.120 0.000 0.000 0.247 40 V C 2.459 178.712 176.094 0.265 0.000 1.051 40 V CA 1.562 63.901 62.300 0.065 0.000 1.036 40 V CB -0.504 31.313 31.823 -0.009 0.000 0.654 40 V HN 0.465 nan 8.190 nan 0.000 0.451 41 K N 0.110 120.678 120.400 0.280 0.000 2.063 41 K HA -0.162 4.158 4.320 0.000 0.000 0.208 41 K C 2.425 179.124 176.600 0.166 0.000 1.048 41 K CA 1.815 58.250 56.287 0.247 0.000 0.928 41 K CB -0.344 32.280 32.500 0.207 0.000 0.713 41 K HN 0.378 nan 8.250 nan 0.000 0.442 42 S N 0.327 116.095 115.700 0.113 0.000 2.368 42 S HA -0.171 4.299 4.470 0.000 0.000 0.225 42 S C 1.723 176.339 174.600 0.027 0.000 1.030 42 S CA 1.060 59.296 58.200 0.061 0.000 0.999 42 S CB -0.359 62.868 63.200 0.047 0.000 0.844 42 S HN 0.329 nan 8.310 nan 0.000 0.459 43 Y N 1.004 121.231 120.300 -0.122 0.000 2.224 43 Y HA -0.060 4.490 4.550 -0.000 0.000 0.289 43 Y C 0.740 176.384 175.900 -0.427 0.000 1.146 43 Y CA 1.249 59.161 58.100 -0.312 0.000 1.182 43 Y CB -0.129 38.047 38.460 -0.473 0.000 0.983 43 Y HN 0.189 nan 8.280 nan 0.000 0.524 44 F N 0.800 120.797 119.950 0.077 0.000 2.916 44 F HA 0.441 4.968 4.527 -0.000 0.000 0.294 44 F C 0.852 176.636 175.800 -0.027 0.000 1.189 44 F CA -0.485 57.515 58.000 -0.001 0.000 1.369 44 F CB -0.860 38.160 39.000 0.034 0.000 0.961 44 F HN -0.009 nan 8.300 nan 0.000 0.508 45 A N 0.163 123.011 122.820 0.046 0.000 2.567 45 A HA 0.389 4.709 4.320 0.000 0.000 0.240 45 A C 1.580 179.184 177.584 0.033 0.000 1.053 45 A CA 0.991 53.048 52.037 0.034 0.000 0.755 45 A CB -0.551 18.442 19.000 -0.011 0.000 0.978 45 A HN 1.112 nan 8.150 nan 0.000 0.507 46 G N 1.758 110.580 108.800 0.037 0.000 2.241 46 G HA2 -0.206 3.754 3.960 0.000 0.000 0.244 46 G HA3 -0.206 3.754 3.960 0.000 0.000 0.244 46 G C 0.309 175.228 174.900 0.032 0.000 0.998 46 G CA 0.518 45.633 45.100 0.026 0.000 0.621 46 G HN 0.774 nan 8.290 nan 0.000 0.519 47 K N 0.698 121.132 120.400 0.057 0.000 2.143 47 K HA 0.432 4.752 4.320 0.000 0.000 0.272 47 K C 0.028 176.631 176.600 0.005 0.000 1.001 47 K CA -0.686 55.623 56.287 0.038 0.000 0.915 47 K CB 1.785 34.331 32.500 0.076 0.000 1.047 47 K HN 0.288 nan 8.250 nan 0.000 0.458 48 K N 4.353 124.738 120.400 -0.025 0.000 2.231 48 K HA 0.204 4.524 4.320 0.000 0.000 0.275 48 K C -0.043 176.502 176.600 -0.092 0.000 1.105 48 K CA -0.263 56.001 56.287 -0.039 0.000 0.931 48 K CB -0.189 32.293 32.500 -0.030 0.000 1.296 48 K HN 0.602 nan 8.250 nan 0.000 0.446 49 I N 0.167 120.662 120.570 -0.124 0.000 2.797 49 I HA 0.595 4.765 4.170 0.000 0.000 0.307 49 I C -0.660 175.311 176.117 -0.243 0.000 1.033 49 I CA -0.819 60.334 61.300 -0.245 0.000 1.071 49 I CB 2.236 39.996 38.000 -0.400 0.000 1.255 49 I HN 0.454 nan 8.210 nan 0.000 0.445 50 S N 2.792 118.307 115.700 -0.309 0.000 2.548 50 S HA 0.672 5.142 4.470 0.000 0.000 0.286 50 S C -1.046 173.343 174.600 -0.351 0.000 1.098 50 S CA -0.650 57.427 58.200 -0.206 0.000 0.930 50 S CB 1.375 64.525 63.200 -0.084 0.000 1.070 50 S HN 0.496 nan 8.310 nan 0.000 0.480 51 F N 2.808 122.741 119.950 -0.029 0.000 2.411 51 F HA 0.463 4.990 4.527 0.000 0.000 0.350 51 F C 1.755 177.547 175.800 -0.014 0.000 1.114 51 F CA -0.593 57.396 58.000 -0.018 0.000 1.135 51 F CB 1.215 40.212 39.000 -0.005 0.000 1.120 51 F HN 0.839 nan 8.300 nan 0.000 0.495 52 N N 1.004 119.769 118.700 0.108 0.000 2.482 52 N HA 0.023 4.763 4.740 0.000 0.000 0.179 52 N C -0.394 175.179 175.510 0.105 0.000 1.039 52 N CA 0.693 53.789 53.050 0.075 0.000 0.884 52 N CB 0.642 39.149 38.487 0.032 0.000 1.113 52 N HN 0.556 nan 8.380 nan 0.000 0.440 53 T N 0.564 115.162 114.554 0.072 0.000 3.105 53 T HA 0.439 4.789 4.350 0.000 0.000 0.321 53 T C -1.403 173.289 174.700 -0.013 0.000 1.135 53 T CA -0.468 61.586 62.100 -0.076 0.000 1.053 53 T CB 2.574 71.260 68.868 -0.304 0.000 1.133 53 T HN -0.151 nan 8.240 nan 0.000 0.463 54 V N 2.779 122.691 119.914 -0.003 0.000 2.462 54 V HA 0.745 4.865 4.120 0.000 0.000 0.288 54 V C -0.150 175.993 176.094 0.082 0.000 1.020 54 V CA -0.451 61.893 62.300 0.073 0.000 0.857 54 V CB 1.591 33.453 31.823 0.065 0.000 1.013 54 V HN 0.989 nan 8.190 nan 0.000 0.431 55 T N 3.836 118.464 114.554 0.123 0.000 2.841 55 T HA 0.630 4.980 4.350 0.000 0.000 0.296 55 T C -1.240 173.593 174.700 0.223 0.000 1.166 55 T CA -0.535 61.682 62.100 0.194 0.000 1.007 55 T CB 1.626 70.629 68.868 0.225 0.000 1.253 55 T HN 0.551 nan 8.240 nan 0.000 0.511 56 L N 2.996 124.341 121.223 0.204 0.000 2.499 56 L HA 0.581 4.921 4.340 0.000 0.000 0.273 56 L C 0.187 177.147 176.870 0.150 0.000 1.195 56 L CA 0.074 55.008 54.840 0.157 0.000 0.882 56 L CB 0.402 42.536 42.059 0.126 0.000 1.133 56 L HN 0.594 nan 8.230 nan 0.000 0.483 57 R N 4.493 125.069 120.500 0.125 0.000 2.233 57 R HA 0.304 4.644 4.340 0.000 0.000 0.334 57 R C -0.524 175.799 176.300 0.038 0.000 1.037 57 R CA -0.167 55.983 56.100 0.083 0.000 0.920 57 R CB -0.189 30.171 30.300 0.100 0.000 1.137 57 R HN 0.756 nan 8.270 nan 0.000 0.492 58 E N 5.495 125.701 120.200 0.010 0.000 2.437 58 E HA 0.039 4.389 4.350 0.000 0.000 0.263 58 E C -1.828 174.775 176.600 0.004 0.000 1.030 58 E CA -1.126 55.267 56.400 -0.013 0.000 0.934 58 E CB 0.331 30.002 29.700 -0.049 0.000 0.943 58 E HN 0.561 nan 8.360 nan 0.000 0.444 59 P HA 0.004 nan 4.420 nan 0.000 0.272 59 P C -0.902 176.447 177.300 0.082 0.000 1.230 59 P CA -0.262 62.865 63.100 0.046 0.000 0.788 59 P CB 0.589 32.325 31.700 0.060 0.000 0.949 60 A N 2.335 125.204 122.820 0.082 0.000 2.531 60 A HA -0.035 4.285 4.320 0.000 0.000 0.236 60 A C 1.859 179.514 177.584 0.118 0.000 1.062 60 A CA -0.010 52.088 52.037 0.101 0.000 0.760 60 A CB -0.390 18.656 19.000 0.077 0.000 0.995 60 A HN 0.692 nan 8.150 nan 0.000 0.501 61 R N 1.278 121.833 120.500 0.092 0.000 2.096 61 R HA -0.205 4.135 4.340 0.000 0.000 0.240 61 R C 2.096 178.339 176.300 -0.095 0.000 1.139 61 R CA 2.282 58.312 56.100 -0.116 0.000 0.952 61 R CB -0.216 29.781 30.300 -0.505 0.000 0.854 61 R HN 0.862 nan 8.270 nan 0.000 0.436 62 K N -0.327 120.040 120.400 -0.056 0.000 2.026 62 K HA -0.137 4.183 4.320 0.000 0.000 0.208 62 K C 1.950 178.570 176.600 0.032 0.000 1.048 62 K CA 1.489 57.759 56.287 -0.029 0.000 0.929 62 K CB -0.196 32.298 32.500 -0.010 0.000 0.713 62 K HN 0.275 nan 8.250 nan 0.000 0.439 63 A N 0.440 123.300 122.820 0.067 0.000 1.908 63 A HA -0.214 4.106 4.320 0.000 0.000 0.218 63 A C 2.089 179.758 177.584 0.141 0.000 1.181 63 A CA 1.576 53.666 52.037 0.088 0.000 0.627 63 A CB -0.959 18.087 19.000 0.077 0.000 0.818 63 A HN 0.610 nan 8.150 nan 0.000 0.445 64 Y N 0.451 120.798 120.300 0.079 0.000 2.145 64 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 64 Y C 2.024 178.070 175.900 0.244 0.000 1.145 64 Y CA 1.871 60.071 58.100 0.167 0.000 1.148 64 Y CB -0.253 38.316 38.460 0.181 0.000 0.981 64 Y HN 0.265 nan 8.280 nan 0.000 0.507 65 I N 0.098 120.746 120.570 0.129 0.000 2.286 65 I HA -0.342 3.828 4.170 0.000 0.000 0.248 65 I C 2.363 178.450 176.117 -0.050 0.000 1.115 65 I CA 1.562 62.872 61.300 0.018 0.000 1.392 65 I CB -0.503 37.502 38.000 0.008 0.000 1.065 65 I HN 0.357 nan 8.210 nan 0.000 0.418 66 Q N -0.394 119.402 119.800 -0.007 0.000 2.084 66 Q HA -0.269 4.071 4.340 0.000 0.000 0.202 66 Q C 2.031 178.015 176.000 -0.027 0.000 0.978 66 Q CA 2.104 57.898 55.803 -0.015 0.000 0.844 66 Q CB -0.300 28.448 28.738 0.016 0.000 0.898 66 Q HN 0.638 nan 8.270 nan 0.000 0.426 67 W N 1.719 122.909 121.300 -0.182 0.000 2.381 67 W HA -0.158 4.502 4.660 -0.000 0.000 0.301 67 W C 2.057 178.421 176.519 -0.259 0.000 1.205 67 W CA 1.170 58.392 57.345 -0.205 0.000 1.285 67 W CB -0.010 29.310 29.460 -0.233 0.000 1.133 67 W HN -0.153 nan 8.180 nan 0.000 0.521 68 K N 0.604 120.723 120.400 -0.467 0.000 2.097 68 K HA -0.147 4.173 4.320 0.000 0.000 0.205 68 K C 1.137 177.455 176.600 -0.469 0.000 1.050 68 K CA 2.037 57.892 56.287 -0.721 0.000 0.938 68 K CB -0.140 32.070 32.500 -0.482 0.000 0.718 68 K HN 0.430 nan 8.250 nan 0.000 0.442 69 E N -1.141 118.890 120.200 -0.282 0.000 2.572 69 E HA 0.055 4.405 4.350 0.000 0.000 0.220 69 E C 0.336 176.844 176.600 -0.154 0.000 0.945 69 E CA -0.057 56.230 56.400 -0.189 0.000 1.070 69 E CB 0.762 30.398 29.700 -0.107 0.000 1.090 69 E HN 0.234 nan 8.360 nan 0.000 0.506 70 Q N 0.271 119.980 119.800 -0.152 0.000 2.141 70 Q HA 0.238 4.578 4.340 0.000 0.000 0.248 70 Q C 0.452 176.386 176.000 -0.110 0.000 0.834 70 Q CA 0.067 55.807 55.803 -0.105 0.000 1.096 70 Q CB 1.453 30.151 28.738 -0.067 0.000 1.189 70 Q HN 0.290 nan 8.270 nan 0.000 0.471 71 G N 0.964 109.661 108.800 -0.171 0.000 2.321 71 G HA2 -0.298 3.662 3.960 0.000 0.000 0.287 71 G HA3 -0.298 3.662 3.960 0.000 0.000 0.287 71 G C 0.451 175.302 174.900 -0.081 0.000 1.018 71 G CA 0.103 45.111 45.100 -0.154 0.000 0.855 71 G HN 0.513 nan 8.290 nan 0.000 0.507 72 G N -0.005 108.761 108.800 -0.056 0.000 2.634 72 G HA2 0.615 4.575 3.960 0.000 0.000 0.255 72 G HA3 0.615 4.575 3.960 0.000 0.000 0.255 72 G C -1.187 173.792 174.900 0.131 0.000 1.205 72 G CA -0.383 44.739 45.100 0.036 0.000 0.884 72 G HN 0.340 nan 8.290 nan 0.000 0.549 73 P HA 0.093 nan 4.420 nan 0.000 0.272 73 P C -0.277 177.146 177.300 0.204 0.000 1.223 73 P CA -0.588 62.599 63.100 0.145 0.000 0.784 73 P CB 1.076 32.821 31.700 0.074 0.000 0.923 74 L N 4.924 126.241 121.223 0.158 0.000 2.477 74 L HA 0.228 4.568 4.340 0.000 0.000 0.272 74 L C -2.128 174.662 176.870 -0.132 0.000 1.157 74 L CA -1.435 53.351 54.840 -0.090 0.000 0.889 74 L CB -0.866 41.157 42.059 -0.059 0.000 1.158 74 L HN 0.282 nan 8.230 nan 0.000 0.473 75 P HA 0.171 nan 4.420 nan 0.000 0.269 75 P C -2.511 174.734 177.300 -0.091 0.000 1.209 75 P CA -0.726 62.307 63.100 -0.112 0.000 0.776 75 P CB -0.206 31.429 31.700 -0.108 0.000 0.876 76 P HA 0.156 nan 4.420 nan 0.000 0.268 76 P C -0.385 176.902 177.300 -0.022 0.000 1.204 76 P CA -0.076 63.011 63.100 -0.021 0.000 0.768 76 P CB 0.391 32.091 31.700 0.000 0.000 0.842 77 R N 3.646 124.136 120.500 -0.016 0.000 2.248 77 R HA 0.329 4.669 4.340 0.000 0.000 0.337 77 R C -0.888 175.426 176.300 0.024 0.000 1.085 77 R CA 0.209 56.307 56.100 -0.004 0.000 0.934 77 R CB -0.977 29.321 30.300 -0.004 0.000 1.034 77 R HN 0.438 nan 8.270 nan 0.000 0.465 78 L N 2.710 123.956 121.223 0.038 0.000 2.342 78 L HA 0.790 5.130 4.340 0.000 0.000 0.271 78 L C -0.304 176.626 176.870 0.099 0.000 1.008 78 L CA -1.366 53.514 54.840 0.067 0.000 0.818 78 L CB 2.174 44.273 42.059 0.066 0.000 1.296 78 L HN 0.651 nan 8.230 nan 0.000 0.427 79 A N 1.641 124.539 122.820 0.130 0.000 2.330 79 A HA 0.564 4.884 4.320 0.000 0.000 0.313 79 A C -1.581 176.148 177.584 0.242 0.000 1.124 79 A CA -0.380 51.760 52.037 0.171 0.000 0.774 79 A CB 0.978 20.065 19.000 0.144 0.000 1.198 79 A HN 0.587 nan 8.150 nan 0.000 0.465 80 Y N 3.436 123.802 120.300 0.110 0.000 2.323 80 Y HA 0.594 5.144 4.550 -0.000 0.000 0.331 80 Y C -0.800 175.176 175.900 0.127 0.000 1.092 80 Y CA -0.906 57.232 58.100 0.063 0.000 1.150 80 Y CB 0.780 39.263 38.460 0.038 0.000 1.200 80 Y HN 0.727 nan 8.280 nan 0.000 0.472 81 Y N 3.173 123.138 120.300 -0.558 0.000 2.576 81 Y HA 0.828 5.378 4.550 -0.000 0.000 0.346 81 Y C -2.093 173.454 175.900 -0.589 0.000 1.018 81 Y CA -1.870 55.978 58.100 -0.420 0.000 1.050 81 Y CB 1.160 39.602 38.460 -0.030 0.000 1.280 81 Y HN 0.358 nan 8.280 nan 0.000 0.474 82 V N 4.762 124.590 119.914 -0.144 0.000 2.569 82 V HA 0.562 4.682 4.120 0.000 0.000 0.301 82 V C -0.341 175.751 176.094 -0.004 0.000 1.044 82 V CA -0.703 61.524 62.300 -0.123 0.000 0.874 82 V CB 1.369 33.147 31.823 -0.076 0.000 1.002 82 V HN 0.881 nan 8.190 nan 0.000 0.424 83 I N 2.560 123.089 120.570 -0.067 0.000 3.042 83 I HA 0.731 4.901 4.170 0.000 0.000 0.310 83 I C -1.558 174.419 176.117 -0.234 0.000 1.117 83 I CA -1.015 60.141 61.300 -0.241 0.000 1.003 83 I CB 2.376 40.086 38.000 -0.482 0.000 1.228 83 I HN 0.238 nan 8.210 nan 0.000 0.443 84 L N 2.126 123.199 121.223 -0.250 0.000 2.342 84 L HA 0.572 4.912 4.340 0.000 0.000 0.271 84 L C -0.455 176.277 176.870 -0.229 0.000 1.008 84 L CA -0.274 54.449 54.840 -0.194 0.000 0.818 84 L CB 1.690 43.670 42.059 -0.132 0.000 1.296 84 L HN 0.814 nan 8.230 nan 0.000 0.427 85 E N 1.117 121.204 120.200 -0.188 0.000 2.199 85 E HA 0.559 4.909 4.350 0.000 0.000 0.265 85 E C -0.642 175.894 176.600 -0.108 0.000 0.882 85 E CA -0.731 55.564 56.400 -0.174 0.000 0.759 85 E CB 2.142 31.730 29.700 -0.187 0.000 1.148 85 E HN 0.740 nan 8.360 nan 0.000 0.412 86 A N 2.737 125.505 122.820 -0.087 0.000 2.584 86 A HA 0.341 4.661 4.320 0.000 0.000 0.239 86 A C 1.255 178.811 177.584 -0.045 0.000 1.043 86 A CA 1.087 53.090 52.037 -0.057 0.000 0.756 86 A CB -0.469 18.504 19.000 -0.044 0.000 0.963 86 A HN 1.125 nan 8.150 nan 0.000 0.511 87 G N 1.388 110.167 108.800 -0.035 0.000 2.189 87 G HA2 -0.220 3.740 3.960 0.000 0.000 0.267 87 G HA3 -0.220 3.740 3.960 0.000 0.000 0.267 87 G C 0.214 175.098 174.900 -0.026 0.000 0.975 87 G CA 0.819 45.904 45.100 -0.025 0.000 0.644 87 G HN 0.757 nan 8.290 nan 0.000 0.537 88 K N 1.048 121.424 120.400 -0.039 0.000 2.244 88 K HA 0.494 4.814 4.320 0.000 0.000 0.260 88 K C -2.232 174.346 176.600 -0.038 0.000 0.951 88 K CA -1.782 54.482 56.287 -0.038 0.000 0.826 88 K CB 2.509 34.976 32.500 -0.055 0.000 1.108 88 K HN 0.180 nan 8.250 nan 0.000 0.433 89 P HA 0.163 nan 4.420 nan 0.000 0.275 89 P C 0.545 177.825 177.300 -0.033 0.000 1.228 89 P CA 0.254 63.343 63.100 -0.019 0.000 0.786 89 P CB 0.813 32.513 31.700 -0.001 0.000 0.927 90 G N 1.050 109.829 108.800 -0.036 0.000 2.547 90 G HA2 -0.111 3.849 3.960 0.000 0.000 0.271 90 G HA3 -0.111 3.849 3.960 0.000 0.000 0.271 90 G C -0.206 174.635 174.900 -0.099 0.000 1.209 90 G CA 0.514 45.578 45.100 -0.060 0.000 0.959 90 G HN 0.928 nan 8.290 nan 0.000 0.563 91 V N -3.922 115.912 119.914 -0.134 0.000 3.165 91 V HA 0.966 5.086 4.120 0.000 0.000 0.309 91 V C -0.497 175.515 176.094 -0.136 0.000 1.267 91 V CA -0.525 61.678 62.300 -0.162 0.000 1.067 91 V CB 1.960 33.641 31.823 -0.237 0.000 1.082 91 V HN 1.075 nan 8.190 nan 0.000 0.451 92 K N 0.835 121.155 120.400 -0.134 0.000 2.427 92 K HA 0.650 4.970 4.320 0.000 0.000 0.252 92 K C -1.258 175.298 176.600 -0.072 0.000 0.931 92 K CA -0.505 55.739 56.287 -0.071 0.000 0.793 92 K CB 2.449 34.892 32.500 -0.095 0.000 1.211 92 K HN 1.019 nan 8.250 nan 0.000 0.426 93 E N 0.797 120.937 120.200 -0.100 0.000 2.416 93 E HA 0.822 5.172 4.350 0.000 0.000 0.273 93 E C -0.403 175.884 176.600 -0.521 0.000 0.935 93 E CA -1.261 54.929 56.400 -0.350 0.000 0.784 93 E CB 2.309 31.961 29.700 -0.081 0.000 1.301 93 E HN 0.623 nan 8.360 nan 0.000 0.454 94 G N 0.246 108.387 108.800 -1.098 0.000 2.340 94 G HA2 0.422 4.382 3.960 0.000 0.000 0.299 94 G HA3 0.422 4.382 3.960 0.000 0.000 0.299 94 G C -1.798 172.802 174.900 -0.500 0.000 1.291 94 G CA -1.020 43.669 45.100 -0.685 0.000 0.841 94 G HN 0.402 nan 8.290 nan 0.000 0.500 95 L N -0.148 121.054 121.223 -0.035 0.000 2.381 95 L HA 0.741 5.081 4.340 0.000 0.000 0.268 95 L C -0.613 176.379 176.870 0.204 0.000 0.997 95 L CA -1.192 53.726 54.840 0.129 0.000 0.818 95 L CB 2.317 44.435 42.059 0.099 0.000 1.310 95 L HN 0.333 nan 8.230 nan 0.000 0.416 96 V N 0.869 120.909 119.914 0.209 0.000 2.448 96 V HA 0.188 4.308 4.120 0.000 0.000 0.295 96 V C -0.720 175.426 176.094 0.087 0.000 1.025 96 V CA -0.507 61.874 62.300 0.135 0.000 0.859 96 V CB 2.014 33.914 31.823 0.128 0.000 0.988 96 V HN 0.721 nan 8.190 nan 0.000 0.431 97 D N 3.808 124.241 120.400 0.055 0.000 2.365 97 D HA 0.284 4.924 4.640 0.000 0.000 0.237 97 D C 1.065 177.385 176.300 0.034 0.000 1.190 97 D CA -0.170 53.855 54.000 0.041 0.000 0.867 97 D CB 0.932 41.749 40.800 0.030 0.000 1.050 97 D HN 0.447 nan 8.370 nan 0.000 0.491 98 L N 3.428 124.671 121.223 0.034 0.000 2.079 98 L HA -0.152 4.188 4.340 0.000 0.000 0.210 98 L C 2.408 179.288 176.870 0.017 0.000 1.081 98 L CA 1.209 56.064 54.840 0.025 0.000 0.752 98 L CB -0.427 41.648 42.059 0.025 0.000 0.896 98 L HN 0.555 nan 8.230 nan 0.000 0.433 99 A N 0.047 122.876 122.820 0.015 0.000 1.877 99 A HA -0.209 4.111 4.320 0.000 0.000 0.216 99 A C 2.370 179.962 177.584 0.013 0.000 1.186 99 A CA 2.119 54.163 52.037 0.012 0.000 0.620 99 A CB -0.581 18.425 19.000 0.010 0.000 0.822 99 A HN 0.508 nan 8.150 nan 0.000 0.443 100 S N -1.191 114.518 115.700 0.015 0.000 2.577 100 S HA 0.396 4.866 4.470 0.000 0.000 0.219 100 S C 0.506 175.116 174.600 0.017 0.000 0.962 100 S CA 0.141 58.350 58.200 0.016 0.000 0.921 100 S CB -0.591 62.620 63.200 0.017 0.000 0.789 100 S HN 0.592 nan 8.310 nan 0.000 0.497 101 L N 2.057 123.290 121.223 0.017 0.000 3.879 101 L HA -0.192 4.148 4.340 0.000 0.000 0.481 101 L C 0.050 176.932 176.870 0.019 0.000 1.232 101 L CA 0.527 55.377 54.840 0.016 0.000 0.736 101 L CB -2.354 39.712 42.059 0.013 0.000 1.511 101 L HN 0.724 nan 8.230 nan 0.000 0.830 102 S N -2.315 113.396 115.700 0.019 0.000 2.564 102 S HA 0.718 5.188 4.470 0.000 0.000 0.274 102 S C -0.404 174.191 174.600 -0.008 0.000 1.124 102 S CA -1.052 57.157 58.200 0.015 0.000 0.869 102 S CB 2.498 65.713 63.200 0.024 0.000 1.105 102 S HN -0.031 nan 8.310 nan 0.000 0.472 103 V N 3.257 123.127 119.914 -0.074 0.000 2.439 103 V HA 0.215 4.335 4.120 0.000 0.000 0.271 103 V C 1.173 177.203 176.094 -0.106 0.000 1.040 103 V CA -0.121 62.082 62.300 -0.161 0.000 1.002 103 V CB 0.181 31.634 31.823 -0.617 0.000 1.000 103 V HN 0.899 nan 8.190 nan 0.000 0.477 104 I N 1.292 121.845 120.570 -0.028 0.000 4.057 104 I HA 0.528 4.698 4.170 0.000 0.000 0.334 104 I C 0.550 176.667 176.117 -0.001 0.000 1.308 104 I CA 0.286 61.583 61.300 -0.005 0.000 1.125 104 I CB 0.456 38.467 38.000 0.018 0.000 1.034 104 I HN 0.630 nan 8.210 nan 0.000 0.401 105 E N 0.629 120.824 120.200 -0.008 0.000 2.354 105 E HA 0.474 4.824 4.350 0.000 0.000 0.283 105 E C -1.378 175.221 176.600 -0.002 0.000 0.938 105 E CA -0.463 55.940 56.400 0.005 0.000 0.777 105 E CB 2.390 32.102 29.700 0.021 0.000 1.222 105 E HN 0.095 nan 8.360 nan 0.000 0.423 106 T N 2.636 117.203 114.554 0.022 0.000 2.957 106 T HA 0.592 4.942 4.350 0.000 0.000 0.336 106 T C -2.051 172.705 174.700 0.094 0.000 1.462 106 T CA -0.685 61.454 62.100 0.064 0.000 1.073 106 T CB 0.914 69.855 68.868 0.121 0.000 1.319 106 T HN 0.650 nan 8.240 nan 0.000 0.485 107 R N 1.732 122.289 120.500 0.095 0.000 2.663 107 R HA 0.833 5.173 4.340 0.000 0.000 0.267 107 R C -1.556 174.789 176.300 0.075 0.000 1.038 107 R CA -1.193 54.960 56.100 0.089 0.000 0.886 107 R CB 1.109 31.447 30.300 0.062 0.000 1.249 107 R HN 0.696 nan 8.270 nan 0.000 0.463 108 A N 2.222 125.083 122.820 0.067 0.000 2.301 108 A HA 0.675 4.995 4.320 0.000 0.000 0.312 108 A C -1.043 176.548 177.584 0.013 0.000 1.182 108 A CA -0.709 51.348 52.037 0.033 0.000 0.826 108 A CB 0.874 19.899 19.000 0.042 0.000 1.134 108 A HN 0.415 nan 8.150 nan 0.000 0.501 109 L N 2.565 123.775 121.223 -0.021 0.000 2.417 109 L HA 0.340 4.680 4.340 0.000 0.000 0.259 109 L C 0.839 177.685 176.870 -0.039 0.000 1.023 109 L CA 0.269 55.093 54.840 -0.027 0.000 0.901 109 L CB 0.785 42.812 42.059 -0.054 0.000 1.227 109 L HN 0.920 nan 8.230 nan 0.000 0.454 110 E N 0.152 120.345 120.200 -0.012 0.000 2.358 110 E HA -0.046 4.304 4.350 0.000 0.000 0.195 110 E C 0.539 177.142 176.600 0.006 0.000 1.010 110 E CA 0.998 57.393 56.400 -0.008 0.000 0.856 110 E CB 0.331 30.034 29.700 0.005 0.000 0.795 110 E HN 0.627 nan 8.360 nan 0.000 0.504 111 T N -1.395 113.170 114.554 0.018 0.000 3.275 111 T HA 0.426 4.776 4.350 0.000 0.000 0.265 111 T C -0.162 174.573 174.700 0.059 0.000 0.978 111 T CA -0.441 61.687 62.100 0.047 0.000 0.923 111 T CB 0.220 69.124 68.868 0.061 0.000 1.126 111 T HN -0.173 nan 8.240 nan 0.000 0.538 112 V N 0.778 120.705 119.914 0.023 0.000 3.078 112 V HA 0.619 4.739 4.120 0.000 0.000 0.311 112 V C -1.607 174.484 176.094 -0.005 0.000 1.138 112 V CA -0.792 61.523 62.300 0.024 0.000 1.007 112 V CB 2.532 34.339 31.823 -0.027 0.000 1.045 112 V HN 0.383 nan 8.190 nan 0.000 0.432 113 Q N 3.988 123.811 119.800 0.039 0.000 2.356 113 Q HA 0.537 4.877 4.340 0.000 0.000 0.270 113 Q C -2.692 173.337 176.000 0.049 0.000 1.058 113 Q CA -1.847 53.971 55.803 0.025 0.000 0.802 113 Q CB 2.748 31.523 28.738 0.061 0.000 1.303 113 Q HN 0.475 nan 8.270 nan 0.000 0.444 114 P HA 0.290 nan 4.420 nan 0.000 0.281 114 P C 0.053 177.422 177.300 0.114 0.000 1.281 114 P CA -0.716 62.458 63.100 0.124 0.000 0.811 114 P CB 1.275 33.016 31.700 0.067 0.000 1.154 115 I N 0.207 120.870 120.570 0.154 0.000 2.880 115 I HA -0.078 4.092 4.170 0.000 0.000 0.296 115 I C -0.018 176.174 176.117 0.126 0.000 1.220 115 I CA 0.003 61.373 61.300 0.118 0.000 1.435 115 I CB 0.040 38.164 38.000 0.207 0.000 1.339 115 I HN 0.127 nan 8.210 nan 0.000 0.583 116 L N 7.730 129.016 121.223 0.105 0.000 2.278 116 L HA 0.231 4.571 4.340 0.000 0.000 0.287 116 L C 0.669 177.622 176.870 0.138 0.000 1.072 116 L CA -0.439 54.482 54.840 0.135 0.000 0.819 116 L CB 0.782 42.962 42.059 0.202 0.000 1.176 116 L HN 0.679 nan 8.230 nan 0.000 0.435 117 T N -0.490 114.069 114.554 0.007 0.000 2.816 117 T HA 0.198 4.548 4.350 0.000 0.000 0.282 117 T C 1.394 176.015 174.700 -0.131 0.000 0.993 117 T CA -0.885 61.086 62.100 -0.215 0.000 0.994 117 T CB 1.439 70.102 68.868 -0.343 0.000 1.025 117 T HN 0.194 nan 8.240 nan 0.000 0.529 118 V N 1.289 121.081 119.914 -0.204 0.000 2.392 118 V HA -0.148 3.972 4.120 0.000 0.000 0.249 118 V C 2.809 178.877 176.094 -0.045 0.000 1.059 118 V CA 2.118 64.369 62.300 -0.081 0.000 1.051 118 V CB -1.040 30.748 31.823 -0.059 0.000 0.658 118 V HN 0.931 nan 8.190 nan 0.000 0.455 119 E N -0.240 119.921 120.200 -0.066 0.000 2.106 119 E HA -0.213 4.137 4.350 0.000 0.000 0.192 119 E C 1.969 178.562 176.600 -0.011 0.000 0.984 119 E CA 1.305 57.688 56.400 -0.027 0.000 0.806 119 E CB -0.183 29.501 29.700 -0.028 0.000 0.750 119 E HN 0.603 nan 8.360 nan 0.000 0.458 120 D N 0.561 120.952 120.400 -0.015 0.000 2.144 120 D HA -0.131 4.509 4.640 0.000 0.000 0.199 120 D C 1.925 178.244 176.300 0.031 0.000 0.984 120 D CA 0.958 54.964 54.000 0.010 0.000 0.834 120 D CB -0.006 40.806 40.800 0.021 0.000 0.955 120 D HN 0.192 nan 8.370 nan 0.000 0.465 121 L N 0.636 121.880 121.223 0.036 0.000 2.307 121 L HA -0.001 4.339 4.340 0.000 0.000 0.211 121 L C 2.717 179.614 176.870 0.046 0.000 1.099 121 L CA 0.321 55.193 54.840 0.053 0.000 0.816 121 L CB -0.295 41.793 42.059 0.048 0.000 0.952 121 L HN 0.170 nan 8.230 nan 0.000 0.455 122 C N -1.050 118.268 119.300 0.031 0.000 2.411 122 C HA -0.095 4.365 4.460 0.000 0.000 0.279 122 C C 2.919 177.929 174.990 0.034 0.000 1.288 122 C CA 0.629 59.667 59.018 0.034 0.000 1.764 122 C CB -1.264 26.491 27.740 0.025 0.000 1.974 122 C HN 0.588 nan 8.230 nan 0.000 0.498 123 S N 0.069 115.786 115.700 0.029 0.000 2.501 123 S HA -0.034 4.436 4.470 0.000 0.000 0.220 123 S C 1.446 176.062 174.600 0.028 0.000 0.997 123 S CA 1.198 59.412 58.200 0.023 0.000 0.919 123 S CB -1.048 62.161 63.200 0.016 0.000 0.778 123 S HN 0.661 nan 8.310 nan 0.000 0.523 124 T N 2.659 117.237 114.554 0.040 0.000 2.699 124 T HA -0.158 4.192 4.350 0.000 0.000 0.268 124 T C 1.638 176.366 174.700 0.047 0.000 1.036 124 T CA 1.858 63.987 62.100 0.048 0.000 1.147 124 T CB -0.405 68.505 68.868 0.070 0.000 0.862 124 T HN 0.659 nan 8.240 nan 0.000 0.446 125 E N 0.396 120.626 120.200 0.050 0.000 2.085 125 E HA -0.207 4.143 4.350 0.000 0.000 0.194 125 E C 2.243 178.847 176.600 0.007 0.000 0.994 125 E CA 1.189 57.611 56.400 0.036 0.000 0.801 125 E CB -0.016 29.705 29.700 0.034 0.000 0.743 125 E HN 0.293 nan 8.360 nan 0.000 0.453 126 E N -0.131 120.072 120.200 0.003 0.000 2.106 126 E HA -0.127 4.223 4.350 0.000 0.000 0.192 126 E C 1.927 178.530 176.600 0.005 0.000 0.984 126 E CA 0.865 57.262 56.400 -0.005 0.000 0.806 126 E CB -0.150 29.548 29.700 -0.003 0.000 0.750 126 E HN 0.246 nan 8.360 nan 0.000 0.458 127 V N 0.987 120.908 119.914 0.013 0.000 2.358 127 V HA -0.192 3.928 4.120 0.000 0.000 0.246 127 V C 2.122 178.229 176.094 0.021 0.000 1.047 127 V CA 1.874 64.182 62.300 0.014 0.000 1.035 127 V CB -0.494 31.337 31.823 0.013 0.000 0.658 127 V HN 0.481 nan 8.190 nan 0.000 0.452 128 I N -1.477 119.113 120.570 0.033 0.000 2.439 128 I HA -0.109 4.061 4.170 0.000 0.000 0.251 128 I C 2.657 178.803 176.117 0.048 0.000 1.139 128 I CA 1.524 62.855 61.300 0.052 0.000 1.438 128 I CB -0.749 37.299 38.000 0.080 0.000 1.085 128 I HN 0.130 nan 8.210 nan 0.000 0.427 129 R N 1.303 121.821 120.500 0.030 0.000 2.120 129 R HA -0.043 4.297 4.340 0.000 0.000 0.234 129 R C 1.311 177.624 176.300 0.021 0.000 1.123 129 R CA 1.512 57.625 56.100 0.022 0.000 0.975 129 R CB -0.368 29.928 30.300 -0.007 0.000 0.866 129 R HN 0.529 nan 8.270 nan 0.000 0.446 130 N N 0.742 119.451 118.700 0.014 0.000 2.270 130 N HA -0.040 4.700 4.740 0.000 0.000 0.198 130 N C -0.693 174.820 175.510 0.006 0.000 1.117 130 N CA 0.222 53.277 53.050 0.009 0.000 0.845 130 N CB 0.373 38.862 38.487 0.004 0.000 0.980 130 N HN 0.178 nan 8.380 nan 0.000 0.486 131 D N 0.734 121.140 120.400 0.009 0.000 2.277 131 D HA 0.190 4.830 4.640 0.000 0.000 0.249 131 D C -1.618 174.674 176.300 -0.012 0.000 1.134 131 D CA -1.994 52.006 54.000 0.000 0.000 0.863 131 D CB 2.004 42.807 40.800 0.006 0.000 1.143 131 D HN -0.117 nan 8.370 nan 0.000 0.458 132 P HA -0.162 nan 4.420 nan 0.000 0.215 132 P C 0.841 178.108 177.300 -0.056 0.000 1.153 132 P CA 1.407 64.488 63.100 -0.032 0.000 0.853 132 P CB 0.154 31.837 31.700 -0.028 0.000 0.788 133 A N -0.770 122.011 122.820 -0.066 0.000 1.902 133 A HA -0.150 4.170 4.320 0.000 0.000 0.217 133 A C 2.334 179.828 177.584 -0.151 0.000 1.181 133 A CA 1.762 53.734 52.037 -0.108 0.000 0.623 133 A CB -1.677 17.258 19.000 -0.108 0.000 0.818 133 A HN 0.024 nan 8.150 nan 0.000 0.443 134 V N 0.305 120.159 119.914 -0.099 0.000 2.307 134 V HA -0.263 3.857 4.120 0.000 0.000 0.245 134 V C 2.425 178.458 176.094 -0.101 0.000 1.045 134 V CA 1.977 64.222 62.300 -0.091 0.000 1.024 134 V CB -0.693 31.164 31.823 0.057 0.000 0.651 134 V HN 0.572 nan 8.190 nan 0.000 0.449 135 I N 0.141 120.681 120.570 -0.049 0.000 2.163 135 I HA -0.308 3.862 4.170 0.000 0.000 0.243 135 I C 2.617 178.690 176.117 -0.073 0.000 1.085 135 I CA 2.175 63.457 61.300 -0.031 0.000 1.347 135 I CB -0.419 37.572 38.000 -0.015 0.000 1.044 135 I HN 0.447 nan 8.210 nan 0.000 0.408 136 E N 0.628 120.764 120.200 -0.107 0.000 2.085 136 E HA -0.276 4.074 4.350 0.000 0.000 0.194 136 E C 2.201 178.690 176.600 -0.185 0.000 0.994 136 E CA 1.197 57.523 56.400 -0.123 0.000 0.801 136 E CB 0.096 29.722 29.700 -0.122 0.000 0.743 136 E HN 0.413 nan 8.360 nan 0.000 0.453 137 Q N 0.000 119.605 119.800 -0.326 0.000 2.167 137 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 137 Q C 2.378 178.169 176.000 -0.348 0.000 0.970 137 Q CA 1.175 56.647 55.803 -0.553 0.000 0.855 137 Q CB -0.599 27.360 28.738 -1.299 0.000 0.911 137 Q HN 0.447 nan 8.270 nan 0.000 0.438 138 C N -0.340 118.865 119.300 -0.158 0.000 2.446 138 C HA -0.049 4.411 4.460 0.000 0.000 0.277 138 C C 2.857 177.847 174.990 0.001 0.000 1.275 138 C CA 0.332 59.383 59.018 0.055 0.000 1.727 138 C CB -0.906 26.898 27.740 0.108 0.000 2.010 138 C HN 0.249 nan 8.230 nan 0.000 0.486 139 V N 0.681 120.575 119.914 -0.035 0.000 2.287 139 V HA -0.201 3.919 4.120 0.000 0.000 0.248 139 V C 2.380 178.450 176.094 -0.039 0.000 1.053 139 V CA 1.670 63.951 62.300 -0.032 0.000 1.027 139 V CB -0.676 31.125 31.823 -0.036 0.000 0.646 139 V HN 0.403 nan 8.190 nan 0.000 0.447 140 L N 0.122 121.308 121.223 -0.061 0.000 2.187 140 L HA -0.098 4.242 4.340 0.000 0.000 0.213 140 L C 2.302 179.156 176.870 -0.028 0.000 1.100 140 L CA 1.767 56.575 54.840 -0.055 0.000 0.765 140 L CB -0.849 41.158 42.059 -0.087 0.000 0.904 140 L HN 0.290 nan 8.230 nan 0.000 0.437 141 S N -0.991 114.705 115.700 -0.007 0.000 2.593 141 S HA 0.311 4.781 4.470 0.000 0.000 0.217 141 S C 1.378 175.969 174.600 -0.015 0.000 0.966 141 S CA 0.597 58.812 58.200 0.026 0.000 0.914 141 S CB 0.160 63.435 63.200 0.125 0.000 0.776 141 S HN 0.612 nan 8.310 nan 0.000 0.523 142 G N 1.352 110.134 108.800 -0.031 0.000 2.148 142 G HA2 -0.183 3.777 3.960 0.000 0.000 0.203 142 G HA3 -0.183 3.777 3.960 0.000 0.000 0.203 142 G C -0.106 174.743 174.900 -0.085 0.000 0.993 142 G CA -0.508 44.559 45.100 -0.054 0.000 0.661 142 G HN 0.472 nan 8.290 nan 0.000 0.518 143 I N 1.546 122.074 120.570 -0.069 0.000 2.382 143 I HA 0.315 4.485 4.170 0.000 0.000 0.286 143 I C -2.241 173.870 176.117 -0.010 0.000 1.002 143 I CA -2.486 58.771 61.300 -0.071 0.000 1.135 143 I CB 2.114 40.073 38.000 -0.067 0.000 1.288 143 I HN -0.173 nan 8.210 nan 0.000 0.448 144 P HA -0.005 nan 4.420 nan 0.000 0.266 144 P C 0.559 177.882 177.300 0.038 0.000 1.195 144 P CA 0.078 63.191 63.100 0.022 0.000 0.768 144 P CB 0.907 32.627 31.700 0.034 0.000 0.838 145 A N 3.840 126.677 122.820 0.029 0.000 2.024 145 A HA -0.220 4.100 4.320 0.000 0.000 0.220 145 A C 1.452 179.071 177.584 0.058 0.000 1.164 145 A CA 1.899 53.956 52.037 0.033 0.000 0.643 145 A CB -1.368 17.642 19.000 0.016 0.000 0.806 145 A HN 0.808 nan 8.150 nan 0.000 0.451 146 N N -1.326 117.415 118.700 0.068 0.000 2.362 146 N HA 0.065 4.805 4.740 0.000 0.000 0.204 146 N C 0.295 175.918 175.510 0.188 0.000 1.166 146 N CA 0.289 53.398 53.050 0.097 0.000 0.831 146 N CB 0.118 38.646 38.487 0.069 0.000 1.008 146 N HN 0.551 nan 8.380 nan 0.000 0.472 147 E N -0.114 120.184 120.200 0.164 0.000 2.812 147 E HA 0.177 4.527 4.350 0.000 0.000 0.211 147 E C 0.740 177.352 176.600 0.020 0.000 0.986 147 E CA -0.289 56.186 56.400 0.126 0.000 1.119 147 E CB 0.370 30.123 29.700 0.088 0.000 1.046 147 E HN 0.309 nan 8.360 nan 0.000 0.474 148 M N 0.932 120.600 119.600 0.113 0.000 2.358 148 M HA -0.124 4.356 4.480 0.000 0.000 0.264 148 M C 1.907 178.211 176.300 0.007 0.000 1.064 148 M CA 1.383 56.723 55.300 0.067 0.000 1.093 148 M CB -1.000 31.642 32.600 0.071 0.000 1.401 148 M HN 0.353 nan 8.290 nan 0.000 0.440 149 H N -1.038 118.018 119.070 -0.022 0.000 2.559 149 H HA 0.040 4.596 4.556 -0.000 0.000 0.273 149 H C 0.998 176.258 175.328 -0.114 0.000 1.000 149 H CA 0.709 56.702 56.048 -0.091 0.000 1.195 149 H CB -0.457 29.271 29.762 -0.056 0.000 1.368 149 H HN 0.362 nan 8.280 nan 0.000 0.592 150 K N 0.835 120.964 120.400 -0.452 0.000 2.367 150 K HA 0.214 4.534 4.320 0.000 0.000 0.194 150 K C 0.021 176.651 176.600 0.050 0.000 1.027 150 K CA -0.074 56.067 56.287 -0.244 0.000 1.075 150 K CB 1.256 33.589 32.500 -0.277 0.000 0.845 150 K HN -0.000 nan 8.250 nan 0.000 0.529 151 V N 2.027 121.955 119.914 0.024 0.000 2.465 151 V HA 0.215 4.335 4.120 0.000 0.000 0.279 151 V C -0.642 175.451 176.094 -0.001 0.000 1.045 151 V CA -0.449 61.946 62.300 0.159 0.000 0.938 151 V CB 0.352 32.258 31.823 0.139 0.000 0.986 151 V HN 0.034 nan 8.190 nan 0.000 0.467 152 Y N 2.609 122.952 120.300 0.072 0.000 2.634 152 Y HA 0.788 5.338 4.550 -0.000 0.000 0.340 152 Y C 0.173 176.141 175.900 0.113 0.000 1.058 152 Y CA -1.008 57.133 58.100 0.068 0.000 1.081 152 Y CB 2.069 40.545 38.460 0.027 0.000 1.295 152 Y HN 0.867 nan 8.280 nan 0.000 0.487 153 C N -0.959 118.521 119.300 0.300 0.000 3.090 153 C HA 0.596 5.056 4.460 0.000 0.000 0.347 153 C C -1.782 173.380 174.990 0.288 0.000 1.147 153 C CA -0.980 58.197 59.018 0.265 0.000 1.305 153 C CB 1.318 29.145 27.740 0.144 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.706 125.329 120.400 0.372 0.000 2.313 154 D HA 0.454 5.094 4.640 0.000 0.000 0.239 154 D C -2.218 174.338 176.300 0.427 0.000 1.142 154 D CA -1.036 53.205 54.000 0.401 0.000 0.847 154 D CB 1.837 42.982 40.800 0.577 0.000 1.082 154 D HN 0.575 nan 8.370 nan 0.000 0.480 155 P HA 0.163 nan 4.420 nan 0.000 0.281 155 P C -0.798 176.718 177.300 0.359 0.000 1.286 155 P CA -0.427 62.836 63.100 0.272 0.000 0.772 155 P CB 0.405 32.200 31.700 0.159 0.000 0.862 156 W N 1.300 122.664 121.300 0.107 0.000 2.719 156 W HA 0.396 5.056 4.660 -0.000 0.000 0.352 156 W C 0.879 177.515 176.519 0.196 0.000 1.085 156 W CA -0.398 57.059 57.345 0.187 0.000 1.187 156 W CB 1.235 30.771 29.460 0.127 0.000 1.417 156 W HN 0.178 nan 8.180 nan 0.000 0.557 157 T N 1.934 116.785 114.554 0.496 0.000 2.900 157 T HA 0.054 4.404 4.350 0.000 0.000 0.307 157 T C 0.977 175.809 174.700 0.221 0.000 1.065 157 T CA -0.183 62.059 62.100 0.236 0.000 1.105 157 T CB 0.383 69.271 68.868 0.032 0.000 0.979 157 T HN 0.491 nan 8.240 nan 0.000 0.544 158 I N 2.515 123.157 120.570 0.121 0.000 3.176 158 I HA 0.121 4.291 4.170 0.000 0.000 0.275 158 I C 1.651 177.802 176.117 0.056 0.000 1.298 158 I CA 1.310 62.655 61.300 0.075 0.000 1.445 158 I CB -0.858 37.162 38.000 0.033 0.000 1.075 158 I HN 1.099 nan 8.210 nan 0.000 0.482 159 G N 0.897 109.732 108.800 0.058 0.000 4.766 159 G HA2 -0.386 3.574 3.960 0.000 0.000 0.314 159 G HA3 -0.386 3.574 3.960 0.000 0.000 0.314 159 G C -0.012 174.993 174.900 0.176 0.000 1.427 159 G CA 0.581 45.676 45.100 -0.009 0.000 1.024 159 G HN 0.444 nan 8.290 nan 0.000 0.754 160 Y N 1.778 122.116 120.300 0.063 0.000 2.376 160 Y HA 0.563 5.113 4.550 -0.000 0.000 0.321 160 Y C -2.177 173.781 175.900 0.096 0.000 1.189 160 Y CA -0.589 57.569 58.100 0.096 0.000 1.069 160 Y CB 1.974 40.489 38.460 0.093 0.000 1.292 160 Y HN 0.466 nan 8.280 nan 0.000 0.430 161 D N 5.688 125.658 120.400 -0.716 0.000 2.542 161 D HA 0.127 4.767 4.640 0.000 0.000 0.252 161 D C 0.612 176.481 176.300 -0.718 0.000 1.222 161 D CA -0.236 53.494 54.000 -0.450 0.000 0.895 161 D CB 1.435 42.245 40.800 0.018 0.000 1.207 161 D HN 0.847 nan 8.370 nan 0.000 0.558 162 E N 3.638 123.480 120.200 -0.595 0.000 2.396 162 E HA -0.192 4.158 4.350 0.000 0.000 0.200 162 E C 0.807 177.212 176.600 -0.326 0.000 1.023 162 E CA 0.634 56.832 56.400 -0.338 0.000 0.857 162 E CB -0.012 29.652 29.700 -0.059 0.000 0.775 162 E HN 0.471 nan 8.360 nan 0.000 0.525 163 R N -0.819 119.388 120.500 -0.488 0.000 2.193 163 R HA 0.036 4.376 4.340 0.000 0.000 0.213 163 R C 1.241 176.982 176.300 -0.932 0.000 1.055 163 R CA 1.191 56.777 56.100 -0.857 0.000 0.995 163 R CB 0.075 29.483 30.300 -1.487 0.000 0.893 163 R HN 0.341 nan 8.270 nan 0.000 0.459 164 W N -0.870 120.327 121.300 -0.172 0.000 2.520 164 W HA 0.307 4.967 4.660 0.000 0.000 0.272 164 W C 1.009 177.481 176.519 -0.077 0.000 0.984 164 W CA 0.428 57.706 57.345 -0.111 0.000 1.314 164 W CB -0.045 29.355 29.460 -0.101 0.000 0.945 164 W HN 0.210 nan 8.180 nan 0.000 0.596 165 G N 2.193 111.024 108.800 0.052 0.000 2.634 165 G HA2 -0.430 3.530 3.960 0.000 0.000 0.309 165 G HA3 -0.430 3.530 3.960 0.000 0.000 0.309 165 G C 0.786 175.801 174.900 0.191 0.000 1.265 165 G CA 2.317 47.508 45.100 0.150 0.000 0.998 165 G HN 0.151 nan 8.290 nan 0.000 0.551 166 T N -1.623 113.046 114.554 0.192 0.000 3.134 166 T HA 0.496 4.846 4.350 0.000 0.000 0.260 166 T C 2.138 176.904 174.700 0.111 0.000 1.027 166 T CA 1.022 63.214 62.100 0.154 0.000 0.913 166 T CB 0.663 69.624 68.868 0.156 0.000 1.046 166 T HN 1.600 nan 8.240 nan 0.000 0.553 167 G N 1.889 110.764 108.800 0.124 0.000 2.450 167 G HA2 -0.041 3.919 3.960 0.000 0.000 0.220 167 G HA3 -0.041 3.919 3.960 0.000 0.000 0.220 167 G C 0.469 175.414 174.900 0.075 0.000 1.130 167 G CA 0.333 45.495 45.100 0.104 0.000 0.760 167 G HN 0.515 nan 8.290 nan 0.000 0.557 168 K N -0.871 119.568 120.400 0.064 0.000 2.435 168 K HA 0.410 4.730 4.320 0.000 0.000 0.251 168 K C -0.850 175.743 176.600 -0.013 0.000 0.954 168 K CA -0.925 55.361 56.287 -0.002 0.000 0.820 168 K CB 2.395 34.851 32.500 -0.075 0.000 1.292 168 K HN -0.042 nan 8.250 nan 0.000 0.436 169 R N 2.784 123.269 120.500 -0.025 0.000 2.210 169 R HA 0.229 4.569 4.340 0.000 0.000 0.338 169 R C -1.056 175.218 176.300 -0.043 0.000 1.062 169 R CA -0.398 55.693 56.100 -0.015 0.000 0.902 169 R CB 0.214 30.508 30.300 -0.011 0.000 1.050 169 R HN 0.278 nan 8.270 nan 0.000 0.461 170 L N 2.895 124.094 121.223 -0.039 0.000 2.319 170 L HA 0.494 4.834 4.340 0.000 0.000 0.267 170 L C -0.249 176.617 176.870 -0.006 0.000 1.011 170 L CA -0.644 54.153 54.840 -0.072 0.000 0.818 170 L CB 1.979 43.943 42.059 -0.157 0.000 1.316 170 L HN 0.644 nan 8.230 nan 0.000 0.432 171 Q N 0.686 120.484 119.800 -0.004 0.000 2.451 171 Q HA 0.606 4.946 4.340 0.000 0.000 0.281 171 Q C -1.390 174.638 176.000 0.046 0.000 1.099 171 Q CA -0.839 55.005 55.803 0.067 0.000 0.806 171 Q CB 3.290 32.083 28.738 0.091 0.000 1.419 171 Q HN 0.621 nan 8.270 nan 0.000 0.427 172 Q N -0.095 119.760 119.800 0.093 0.000 2.377 172 Q HA 0.847 5.187 4.340 0.000 0.000 0.271 172 Q C -1.548 174.488 176.000 0.061 0.000 1.077 172 Q CA -1.072 54.754 55.803 0.038 0.000 0.820 172 Q CB 2.060 30.789 28.738 -0.016 0.000 1.347 172 Q HN 0.527 nan 8.270 nan 0.000 0.444 173 A N 3.809 126.640 122.820 0.019 0.000 2.291 173 A HA 0.495 4.815 4.320 0.000 0.000 0.311 173 A C -0.582 176.957 177.584 -0.074 0.000 1.224 173 A CA -0.846 51.210 52.037 0.031 0.000 0.821 173 A CB 0.637 19.671 19.000 0.057 0.000 1.172 173 A HN 0.788 nan 8.150 nan 0.000 0.494 174 L N 3.852 125.024 121.223 -0.084 0.000 2.283 174 L HA 0.254 4.594 4.340 0.000 0.000 0.287 174 L C -0.380 176.373 176.870 -0.195 0.000 1.073 174 L CA -0.505 54.213 54.840 -0.203 0.000 0.822 174 L CB 0.815 42.777 42.059 -0.162 0.000 1.186 174 L HN 0.424 nan 8.230 nan 0.000 0.436 175 V N 4.338 123.999 119.914 -0.421 0.000 2.546 175 V HA 0.308 4.428 4.120 0.000 0.000 0.284 175 V C -0.393 175.326 176.094 -0.624 0.000 1.050 175 V CA -0.230 61.833 62.300 -0.396 0.000 0.981 175 V CB 0.896 32.401 31.823 -0.531 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.793 123.094 120.300 0.002 0.000 2.638 176 Y HA 0.636 5.186 4.550 0.000 0.000 0.339 176 Y C -0.776 175.238 175.900 0.190 0.000 1.084 176 Y CA -0.995 57.132 58.100 0.045 0.000 1.068 176 Y CB 1.989 40.401 38.460 -0.080 0.000 1.294 176 Y HN 0.589 nan 8.280 nan 0.000 0.480 177 Y N 1.062 121.523 120.300 0.268 0.000 2.442 177 Y HA 0.684 5.234 4.550 0.000 0.000 0.344 177 Y C -1.243 174.794 175.900 0.229 0.000 0.976 177 Y CA -1.343 56.897 58.100 0.233 0.000 1.040 177 Y CB 1.440 40.019 38.460 0.198 0.000 1.228 177 Y HN 0.552 nan 8.280 nan 0.000 0.451 178 R N 3.292 123.383 120.500 -0.681 0.000 2.393 178 R HA 0.271 4.611 4.340 0.000 0.000 0.315 178 R C 0.617 176.202 176.300 -1.191 0.000 0.952 178 R CA -0.012 55.590 56.100 -0.829 0.000 0.842 178 R CB 1.775 31.683 30.300 -0.654 0.000 1.163 178 R HN 0.918 nan 8.270 nan 0.000 0.450 179 S N 0.651 115.667 115.700 -1.141 0.000 2.428 179 S HA -0.099 4.371 4.470 0.000 0.000 0.230 179 S C 0.455 174.809 174.600 -0.410 0.000 1.014 179 S CA 0.772 58.614 58.200 -0.595 0.000 0.957 179 S CB 0.037 63.064 63.200 -0.289 0.000 0.784 179 S HN 0.670 nan 8.310 nan 0.000 0.499 180 D N -0.064 120.052 120.400 -0.474 0.000 2.857 180 D HA 0.230 4.870 4.640 0.000 0.000 0.227 180 D C 0.702 176.825 176.300 -0.294 0.000 1.192 180 D CA -0.492 53.338 54.000 -0.283 0.000 0.857 180 D CB 1.544 42.217 40.800 -0.213 0.000 1.645 180 D HN 0.165 nan 8.370 nan 0.000 0.482 181 E N 1.488 121.587 120.200 -0.168 0.000 2.209 181 E HA -0.239 4.111 4.350 0.000 0.000 0.196 181 E C 0.151 176.621 176.600 -0.217 0.000 0.993 181 E CA 1.128 57.445 56.400 -0.139 0.000 0.819 181 E CB 0.010 29.694 29.700 -0.027 0.000 0.745 181 E HN 0.375 nan 8.360 nan 0.000 0.477 182 D N 1.192 121.463 120.400 -0.215 0.000 2.340 182 D HA 0.030 4.670 4.640 0.000 0.000 0.220 182 D C -0.185 175.957 176.300 -0.263 0.000 1.039 182 D CA 0.254 54.111 54.000 -0.238 0.000 0.866 182 D CB -0.087 40.587 40.800 -0.211 0.000 0.913 182 D HN 0.183 nan 8.370 nan 0.000 0.523 183 D N 0.046 120.233 120.400 -0.355 0.000 2.360 183 D HA 0.011 4.651 4.640 0.000 0.000 0.242 183 D C 0.166 176.232 176.300 -0.390 0.000 1.184 183 D CA 0.247 53.974 54.000 -0.455 0.000 0.930 183 D CB 0.883 41.282 40.800 -0.668 0.000 1.161 183 D HN -0.201 nan 8.370 nan 0.000 0.447 184 S N 0.057 115.554 115.700 -0.338 0.000 2.410 184 S HA 0.046 4.516 4.470 0.000 0.000 0.304 184 S C 1.199 175.739 174.600 -0.100 0.000 1.095 184 S CA -0.675 57.412 58.200 -0.189 0.000 1.089 184 S CB 0.503 63.624 63.200 -0.132 0.000 0.968 184 S HN 0.360 nan 8.310 nan 0.000 0.480 185 Q N 4.154 123.773 119.800 -0.302 0.000 2.291 185 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 185 Q C 0.426 176.278 176.000 -0.248 0.000 0.976 185 Q CA 1.588 57.214 55.803 -0.296 0.000 0.875 185 Q CB -0.619 27.789 28.738 -0.549 0.000 0.927 185 Q HN 0.887 nan 8.270 nan 0.000 0.450 186 Y N 2.183 122.437 120.300 -0.077 0.000 2.556 186 Y HA -0.128 4.421 4.550 -0.000 0.000 0.290 186 Y C 2.524 178.611 175.900 0.312 0.000 1.149 186 Y CA 1.227 59.335 58.100 0.013 0.000 1.329 186 Y CB -0.152 38.328 38.460 0.033 0.000 0.975 186 Y HN 0.373 nan 8.280 nan 0.000 0.561 187 S N -1.882 114.052 115.700 0.388 0.000 2.558 187 S HA -0.013 4.457 4.470 0.000 0.000 0.217 187 S C 0.151 174.813 174.600 0.103 0.000 0.975 187 S CA 0.217 58.615 58.200 0.331 0.000 0.912 187 S CB -0.339 62.955 63.200 0.156 0.000 0.776 187 S HN 0.442 nan 8.310 nan 0.000 0.526 188 H N 2.270 121.391 119.070 0.083 0.000 2.386 188 H HA 0.458 5.014 4.556 0.000 0.000 0.232 188 H C -2.828 172.614 175.328 0.191 0.000 1.416 188 H CA -1.823 54.284 56.048 0.098 0.000 1.285 188 H CB 0.768 30.567 29.762 0.062 0.000 1.625 188 H HN 0.355 nan 8.280 nan 0.000 0.521 189 P HA 0.105 nan 4.420 nan 0.000 0.277 189 P C -0.055 177.096 177.300 -0.248 0.000 1.240 189 P CA -0.298 62.698 63.100 -0.173 0.000 0.798 189 P CB 1.994 33.556 31.700 -0.230 0.000 0.979 190 L N 1.719 122.721 121.223 -0.369 0.000 2.400 190 L HA 0.237 4.577 4.340 0.000 0.000 0.264 190 L C 1.733 178.395 176.870 -0.346 0.000 1.061 190 L CA -0.425 54.225 54.840 -0.315 0.000 0.799 190 L CB 0.678 42.487 42.059 -0.416 0.000 1.240 190 L HN 0.391 nan 8.230 nan 0.000 0.461 191 D N -0.627 119.682 120.400 -0.150 0.000 2.348 191 D HA -0.039 4.601 4.640 0.000 0.000 0.211 191 D C 0.150 176.588 176.300 0.231 0.000 0.998 191 D CA 0.246 54.261 54.000 0.024 0.000 0.873 191 D CB -0.068 40.783 40.800 0.087 0.000 0.925 191 D HN 0.223 nan 8.370 nan 0.000 0.524 192 F N -0.571 119.427 119.950 0.081 0.000 2.497 192 F HA 0.614 5.141 4.527 -0.000 0.000 0.331 192 F C -0.477 175.344 175.800 0.036 0.000 1.060 192 F CA -2.236 55.802 58.000 0.064 0.000 0.989 192 F CB 1.060 40.072 39.000 0.022 0.000 1.245 192 F HN -0.126 nan 8.300 nan 0.000 0.486 193 C N 3.646 123.055 119.300 0.182 0.000 2.455 193 C HA 0.616 5.076 4.460 0.000 0.000 0.321 193 C C -2.834 172.250 174.990 0.155 0.000 1.102 193 C CA -2.018 57.031 59.018 0.051 0.000 1.413 193 C CB 0.216 27.930 27.740 -0.043 0.000 1.952 193 C HN 0.662 nan 8.230 nan 0.000 0.428 194 P HA 0.339 nan 4.420 nan 0.000 0.275 194 P C -0.704 176.649 177.300 0.088 0.000 1.227 194 P CA -0.101 63.090 63.100 0.153 0.000 0.781 194 P CB 0.490 32.285 31.700 0.158 0.000 0.906 195 I N 3.369 123.987 120.570 0.080 0.000 2.362 195 I HA 0.283 4.453 4.170 0.000 0.000 0.289 195 I C -0.125 175.951 176.117 -0.069 0.000 0.994 195 I CA -0.653 60.635 61.300 -0.020 0.000 1.158 195 I CB 1.313 39.253 38.000 -0.100 0.000 1.315 195 I HN 0.037 nan 8.210 nan 0.000 0.451 196 V N 5.081 124.952 119.914 -0.071 0.000 2.513 196 V HA 0.296 4.416 4.120 0.000 0.000 0.299 196 V C 0.028 176.063 176.094 -0.098 0.000 1.035 196 V CA -0.799 61.463 62.300 -0.063 0.000 0.889 196 V CB 2.356 34.173 31.823 -0.009 0.000 0.988 196 V HN 0.627 nan 8.190 nan 0.000 0.440 197 D N 2.969 123.308 120.400 -0.101 0.000 2.336 197 D HA 0.120 4.760 4.640 0.000 0.000 0.249 197 D C 1.157 177.426 176.300 -0.052 0.000 1.213 197 D CA 0.087 54.027 54.000 -0.100 0.000 0.870 197 D CB 1.829 42.572 40.800 -0.095 0.000 1.076 197 D HN 0.618 nan 8.370 nan 0.000 0.483 198 T N 3.244 117.774 114.554 -0.039 0.000 2.684 198 T HA -0.201 4.149 4.350 0.000 0.000 0.267 198 T C 1.561 176.251 174.700 -0.017 0.000 1.036 198 T CA 1.235 63.326 62.100 -0.015 0.000 1.148 198 T CB 0.050 68.917 68.868 -0.002 0.000 0.863 198 T HN 0.597 nan 8.240 nan 0.000 0.436 199 E N 0.539 120.725 120.200 -0.024 0.000 2.047 199 E HA -0.152 4.198 4.350 0.000 0.000 0.191 199 E C 1.915 178.503 176.600 -0.021 0.000 0.987 199 E CA 0.870 57.256 56.400 -0.024 0.000 0.799 199 E CB 0.105 29.788 29.700 -0.028 0.000 0.752 199 E HN 0.307 nan 8.360 nan 0.000 0.449 200 E N 0.682 120.867 120.200 -0.025 0.000 2.435 200 E HA -0.037 4.313 4.350 0.000 0.000 0.195 200 E C -0.080 176.510 176.600 -0.017 0.000 1.029 200 E CA 0.233 56.621 56.400 -0.021 0.000 0.865 200 E CB 0.071 29.757 29.700 -0.024 0.000 0.833 200 E HN 0.223 nan 8.360 nan 0.000 0.510 201 K N 1.141 121.531 120.400 -0.017 0.000 3.419 201 K HA -0.229 4.091 4.320 0.000 0.000 0.272 201 K C -0.283 176.311 176.600 -0.010 0.000 0.973 201 K CA 0.781 57.062 56.287 -0.010 0.000 0.749 201 K CB -1.576 30.922 32.500 -0.004 0.000 1.403 201 K HN 0.307 nan 8.250 nan 0.000 0.456 202 K N -2.487 117.903 120.400 -0.017 0.000 2.568 202 K HA 0.440 4.760 4.320 0.000 0.000 0.273 202 K C -0.589 175.998 176.600 -0.022 0.000 0.951 202 K CA -1.212 55.067 56.287 -0.014 0.000 0.854 202 K CB 1.501 33.993 32.500 -0.013 0.000 1.424 202 K HN -0.096 nan 8.250 nan 0.000 0.427 203 V N 3.475 123.383 119.914 -0.010 0.000 2.508 203 V HA 0.081 4.201 4.120 0.000 0.000 0.281 203 V C 1.231 177.320 176.094 -0.007 0.000 1.041 203 V CA -0.098 62.198 62.300 -0.007 0.000 1.016 203 V CB 0.279 32.107 31.823 0.008 0.000 0.984 203 V HN 0.843 nan 8.190 nan 0.000 0.478 204 I N 1.529 122.087 120.570 -0.020 0.000 4.057 204 I HA 0.551 4.721 4.170 0.000 0.000 0.334 204 I C 0.104 176.337 176.117 0.193 0.000 1.308 204 I CA 0.400 61.711 61.300 0.018 0.000 1.125 204 I CB 0.426 38.361 38.000 -0.108 0.000 1.034 204 I HN 0.469 nan 8.210 nan 0.000 0.401 205 F N 1.003 120.940 119.950 -0.022 0.000 2.769 205 F HA 0.599 5.126 4.527 0.000 0.000 0.313 205 F C -2.058 173.786 175.800 0.073 0.000 1.146 205 F CA -0.973 57.073 58.000 0.076 0.000 0.934 205 F CB 1.581 40.717 39.000 0.226 0.000 1.283 205 F HN -0.231 nan 8.300 nan 0.000 0.443 206 I N 3.674 124.053 120.570 -0.319 0.000 2.500 206 I HA 0.267 4.437 4.170 0.000 0.000 0.286 206 I C -1.380 174.738 176.117 0.002 0.000 1.063 206 I CA -0.803 60.471 61.300 -0.044 0.000 1.062 206 I CB 1.779 39.718 38.000 -0.101 0.000 1.223 206 I HN 0.354 nan 8.210 nan 0.000 0.435 207 D N 7.639 128.225 120.400 0.311 0.000 2.343 207 D HA 0.414 5.054 4.640 0.000 0.000 0.255 207 D C -0.238 176.209 176.300 0.244 0.000 1.187 207 D CA 0.401 54.629 54.000 0.380 0.000 0.875 207 D CB 1.639 42.669 40.800 0.383 0.000 1.136 207 D HN 0.312 nan 8.370 nan 0.000 0.469 208 I N 4.524 125.205 120.570 0.185 0.000 2.406 208 I HA 0.223 4.393 4.170 0.000 0.000 0.290 208 I C -1.881 174.323 176.117 0.144 0.000 0.999 208 I CA -1.917 59.471 61.300 0.147 0.000 1.124 208 I CB 2.105 40.129 38.000 0.039 0.000 1.289 208 I HN 0.090 nan 8.210 nan 0.000 0.441 209 P HA 0.180 nan 4.420 nan 0.000 0.272 209 P C -0.239 177.119 177.300 0.098 0.000 1.223 209 P CA -0.305 62.881 63.100 0.144 0.000 0.784 209 P CB 1.067 32.883 31.700 0.193 0.000 0.923 210 N N 0.754 119.501 118.700 0.079 0.000 2.142 210 N HA -0.088 4.652 4.740 0.000 0.000 0.186 210 N C 1.010 176.553 175.510 0.055 0.000 1.023 210 N CA 0.990 54.071 53.050 0.052 0.000 0.852 210 N CB -0.032 38.478 38.487 0.039 0.000 0.998 210 N HN 0.405 nan 8.380 nan 0.000 0.424 211 R N 2.320 122.865 120.500 0.075 0.000 2.198 211 R HA 0.132 4.472 4.340 0.000 0.000 0.339 211 R C -0.629 175.718 176.300 0.080 0.000 1.020 211 R CA -0.358 55.785 56.100 0.070 0.000 0.864 211 R CB 0.427 30.774 30.300 0.079 0.000 1.105 211 R HN -0.045 nan 8.270 nan 0.000 0.463 212 R N 3.509 124.043 120.500 0.058 0.000 2.441 212 R HA 0.262 4.602 4.340 0.000 0.000 0.284 212 R C -0.320 176.003 176.300 0.039 0.000 1.070 212 R CA -0.525 55.609 56.100 0.056 0.000 1.047 212 R CB 0.703 31.025 30.300 0.038 0.000 1.016 212 R HN 0.476 nan 8.270 nan 0.000 0.477 213 R N 1.533 122.052 120.500 0.031 0.000 2.483 213 R HA 0.294 4.634 4.340 0.000 0.000 0.303 213 R C -0.399 175.896 176.300 -0.010 0.000 0.987 213 R CA -0.478 55.619 56.100 -0.006 0.000 0.881 213 R CB 1.817 32.087 30.300 -0.049 0.000 1.177 213 R HN 0.353 nan 8.270 nan 0.000 0.451 214 K N 1.223 121.617 120.400 -0.010 0.000 2.168 214 K HA 0.284 4.604 4.320 0.000 0.000 0.258 214 K C -0.026 176.556 176.600 -0.030 0.000 1.010 214 K CA -0.735 55.545 56.287 -0.011 0.000 0.929 214 K CB 0.838 33.329 32.500 -0.015 0.000 0.998 214 K HN 0.152 nan 8.250 nan 0.000 0.479 215 V N 1.651 121.544 119.914 -0.036 0.000 2.843 215 V HA -0.119 4.001 4.120 0.000 0.000 0.305 215 V C 0.843 176.933 176.094 -0.007 0.000 1.120 215 V CA 0.181 62.459 62.300 -0.038 0.000 1.254 215 V CB 0.892 32.644 31.823 -0.118 0.000 0.901 215 V HN 0.811 nan 8.190 nan 0.000 0.503 216 S N 3.277 118.977 115.700 0.000 0.000 2.560 216 S HA 0.111 4.581 4.470 0.000 0.000 0.284 216 S C 0.822 175.513 174.600 0.151 0.000 1.327 216 S CA -0.175 58.024 58.200 -0.003 0.000 1.055 216 S CB 0.292 63.314 63.200 -0.297 0.000 0.868 216 S HN 0.764 nan 8.310 nan 0.000 0.506 217 K N 2.150 122.604 120.400 0.090 0.000 2.372 217 K HA 0.120 4.440 4.320 0.000 0.000 0.200 217 K C -0.157 176.483 176.600 0.067 0.000 1.022 217 K CA -0.055 56.271 56.287 0.065 0.000 1.125 217 K CB 0.093 32.565 32.500 -0.048 0.000 0.855 217 K HN 0.684 nan 8.250 nan 0.000 0.524 218 H N 1.178 120.360 119.070 0.187 0.000 2.603 218 H HA 0.119 4.675 4.556 -0.000 0.000 0.370 218 H C 0.068 175.621 175.328 0.374 0.000 1.225 218 H CA 0.148 56.316 56.048 0.201 0.000 1.410 218 H CB 0.635 30.453 29.762 0.094 0.000 1.495 218 H HN -0.162 nan 8.280 nan 0.000 0.602 219 K N 0.859 121.528 120.400 0.448 0.000 2.276 219 K HA 0.074 4.394 4.320 0.000 0.000 0.259 219 K C -0.437 176.457 176.600 0.491 0.000 1.001 219 K CA -0.233 56.286 56.287 0.387 0.000 0.927 219 K CB 0.261 32.932 32.500 0.285 0.000 0.969 219 K HN 0.515 nan 8.250 nan 0.000 0.490 220 H N -0.029 119.145 119.070 0.172 0.000 2.707 220 H HA 0.145 4.701 4.556 0.000 0.000 0.359 220 H C -0.262 175.042 175.328 -0.039 0.000 1.113 220 H CA 0.135 56.233 56.048 0.085 0.000 1.422 220 H CB 0.842 30.500 29.762 -0.173 0.000 1.443 220 H HN 0.653 nan 8.280 nan 0.000 0.591 221 A N 4.379 127.096 122.820 -0.172 0.000 2.527 221 A HA 0.204 4.524 4.320 0.000 0.000 0.313 221 A C -0.075 177.322 177.584 -0.312 0.000 1.410 221 A CA -0.656 51.148 52.037 -0.389 0.000 1.060 221 A CB -0.549 17.939 19.000 -0.853 0.000 1.137 221 A HN 0.666 nan 8.150 nan 0.000 0.542 222 N N 0.945 119.475 118.700 -0.283 0.000 2.485 222 N HA 0.642 5.382 4.740 0.000 0.000 0.280 222 N C -0.149 175.249 175.510 -0.187 0.000 1.205 222 N CA -0.379 52.381 53.050 -0.483 0.000 0.959 222 N CB 1.190 39.034 38.487 -1.071 0.000 1.206 222 N HN 0.582 nan 8.380 nan 0.000 0.545 223 F N -2.364 117.571 119.950 -0.024 0.000 2.915 223 F HA 0.445 4.972 4.527 0.000 0.000 0.347 223 F C -0.294 175.550 175.800 0.074 0.000 1.104 223 F CA -0.802 57.201 58.000 0.005 0.000 1.126 223 F CB -0.546 38.378 39.000 -0.126 0.000 1.145 223 F HN 0.190 nan 8.300 nan 0.000 0.541 224 Y N 2.600 123.042 120.300 0.236 0.000 2.314 224 Y HA 0.326 4.876 4.550 -0.000 0.000 0.334 224 Y C -1.052 174.891 175.900 0.071 0.000 1.266 224 Y CA -1.585 56.612 58.100 0.163 0.000 1.391 224 Y CB 0.187 38.649 38.460 0.003 0.000 1.306 224 Y HN -0.227 nan 8.280 nan 0.000 0.558 225 P HA -0.268 nan 4.420 nan 0.000 0.216 225 P C 1.086 178.403 177.300 0.029 0.000 1.157 225 P CA 2.746 65.893 63.100 0.079 0.000 0.880 225 P CB 0.121 31.858 31.700 0.061 0.000 0.791 226 K N -1.068 119.299 120.400 -0.056 0.000 2.097 226 K HA -0.209 4.111 4.320 0.000 0.000 0.206 226 K C 1.722 178.264 176.600 -0.098 0.000 1.049 226 K CA 1.719 57.930 56.287 -0.128 0.000 0.933 226 K CB -1.169 31.186 32.500 -0.242 0.000 0.717 226 K HN 0.274 nan 8.250 nan 0.000 0.442 227 H N 0.037 119.128 119.070 0.036 0.000 2.363 227 H HA 0.065 4.621 4.556 0.000 0.000 0.301 227 H C 2.152 177.502 175.328 0.037 0.000 1.074 227 H CA 1.414 57.474 56.048 0.020 0.000 1.354 227 H CB 0.058 29.819 29.762 -0.001 0.000 1.397 227 H HN 0.065 nan 8.280 nan 0.000 0.516 228 M N 0.253 119.956 119.600 0.172 0.000 2.159 228 M HA -0.117 4.363 4.480 0.000 0.000 0.263 228 M C 2.276 178.625 176.300 0.081 0.000 1.063 228 M CA 1.259 56.629 55.300 0.116 0.000 1.110 228 M CB -0.659 32.000 32.600 0.099 0.000 1.374 228 M HN 0.329 nan 8.290 nan 0.000 0.411 229 I N -0.206 120.401 120.570 0.062 0.000 2.286 229 I HA -0.290 3.880 4.170 0.000 0.000 0.248 229 I C 2.243 178.389 176.117 0.049 0.000 1.115 229 I CA 1.247 62.573 61.300 0.043 0.000 1.392 229 I CB -0.312 37.703 38.000 0.024 0.000 1.065 229 I HN 0.390 nan 8.210 nan 0.000 0.418 230 E N 0.598 120.834 120.200 0.061 0.000 2.072 230 E HA -0.244 4.106 4.350 0.000 0.000 0.190 230 E C 2.127 178.772 176.600 0.075 0.000 0.982 230 E CA 0.992 57.431 56.400 0.065 0.000 0.803 230 E CB 0.022 29.769 29.700 0.078 0.000 0.755 230 E HN 0.335 nan 8.360 nan 0.000 0.453 231 K N 0.940 121.394 120.400 0.090 0.000 1.984 231 K HA -0.084 4.236 4.320 0.000 0.000 0.209 231 K C 1.104 177.750 176.600 0.076 0.000 1.046 231 K CA 1.287 57.629 56.287 0.092 0.000 0.934 231 K CB 0.110 32.672 32.500 0.104 0.000 0.717 231 K HN 0.040 nan 8.250 nan 0.000 0.438 232 V N -3.161 116.794 119.914 0.068 0.000 3.267 232 V HA 0.507 4.627 4.120 0.000 0.000 0.317 232 V C 1.364 177.486 176.094 0.047 0.000 1.131 232 V CA -0.320 62.014 62.300 0.056 0.000 1.031 232 V CB 0.743 32.598 31.823 0.053 0.000 1.159 232 V HN 0.304 nan 8.190 nan 0.000 0.454 233 G N 0.224 109.047 108.800 0.039 0.000 2.586 233 G HA2 0.236 4.196 3.960 0.000 0.000 0.218 233 G HA3 0.236 4.196 3.960 0.000 0.000 0.218 233 G C 0.533 175.451 174.900 0.031 0.000 1.216 233 G CA 1.953 47.073 45.100 0.032 0.000 0.786 233 G HN 1.853 nan 8.290 nan 0.000 0.583 234 A N -2.638 120.200 122.820 0.030 0.000 2.483 234 A HA 0.653 4.973 4.320 0.000 0.000 0.306 234 A C -0.631 176.970 177.584 0.028 0.000 1.137 234 A CA -0.579 51.475 52.037 0.028 0.000 0.626 234 A CB 0.295 19.307 19.000 0.021 0.000 1.352 234 A HN 0.077 nan 8.150 nan 0.000 0.508 235 M N 0.769 120.384 119.600 0.025 0.000 2.227 235 M HA 0.377 4.857 4.480 0.000 0.000 0.316 235 M C 0.565 176.876 176.300 0.019 0.000 1.144 235 M CA 0.048 55.363 55.300 0.024 0.000 1.121 235 M CB 0.178 32.791 32.600 0.022 0.000 1.440 235 M HN 0.707 nan 8.290 nan 0.000 0.473 236 R N 0.659 121.169 120.500 0.016 0.000 2.582 236 R HA 0.359 4.699 4.340 0.000 0.000 0.271 236 R C -2.060 174.246 176.300 0.010 0.000 1.078 236 R CA -1.354 54.754 56.100 0.013 0.000 1.127 236 R CB -0.529 29.777 30.300 0.010 0.000 1.038 236 R HN 0.389 nan 8.270 nan 0.000 0.500 237 P HA -0.043 nan 4.420 nan 0.000 0.270 237 P C -0.745 176.558 177.300 0.006 0.000 1.223 237 P CA -0.199 62.906 63.100 0.008 0.000 0.785 237 P CB 0.474 32.178 31.700 0.007 0.000 0.923 238 E N 1.165 121.369 120.200 0.006 0.000 2.417 238 E HA 0.307 4.657 4.350 0.000 0.000 0.261 238 E C -0.449 176.153 176.600 0.004 0.000 1.000 238 E CA -0.052 56.351 56.400 0.005 0.000 0.919 238 E CB 0.002 29.705 29.700 0.005 0.000 0.955 238 E HN 0.451 nan 8.360 nan 0.000 0.455 239 A N 5.495 128.316 122.820 0.002 0.000 2.304 239 A HA 0.474 4.794 4.320 0.000 0.000 0.271 239 A C -2.059 175.526 177.584 0.002 0.000 1.091 239 A CA -1.335 50.703 52.037 0.002 0.000 0.812 239 A CB -0.156 18.843 19.000 -0.000 0.000 1.056 239 A HN 0.650 nan 8.150 nan 0.000 0.489 240 P HA 0.201 nan 4.420 nan 0.000 0.265 240 P C -2.197 175.104 177.300 0.002 0.000 1.193 240 P CA -0.401 62.700 63.100 0.002 0.000 0.765 240 P CB -0.047 31.654 31.700 0.002 0.000 0.823 241 P HA 0.229 nan 4.420 nan 0.000 0.272 241 P C -0.729 176.572 177.300 0.003 0.000 1.223 241 P CA 0.134 63.236 63.100 0.003 0.000 0.784 241 P CB 0.951 32.653 31.700 0.004 0.000 0.923 242 I N 2.490 123.061 120.570 0.002 0.000 2.437 242 I HA 0.204 4.374 4.170 0.000 0.000 0.279 242 I C 0.003 176.123 176.117 0.005 0.000 1.028 242 I CA -0.641 60.660 61.300 0.003 0.000 1.142 242 I CB 0.818 38.819 38.000 0.001 0.000 1.266 242 I HN 0.174 nan 8.210 nan 0.000 0.461 243 N N 5.913 124.617 118.700 0.007 0.000 2.479 243 N HA 0.399 5.139 4.740 0.000 0.000 0.285 243 N C -0.643 174.875 175.510 0.013 0.000 1.075 243 N CA -0.355 52.700 53.050 0.009 0.000 0.967 243 N CB 2.762 41.255 38.487 0.009 0.000 1.137 243 N HN 0.152 nan 8.380 nan 0.000 0.472 244 V N 1.560 121.483 119.914 0.015 0.000 2.409 244 V HA 0.494 4.614 4.120 0.000 0.000 0.291 244 V C 0.187 176.296 176.094 0.024 0.000 1.020 244 V CA -0.589 61.725 62.300 0.023 0.000 0.848 244 V CB 1.320 33.160 31.823 0.027 0.000 0.990 244 V HN 0.853 nan 8.190 nan 0.000 0.430 245 T N 1.824 116.394 114.554 0.027 0.000 2.906 245 T HA 0.647 4.997 4.350 0.000 0.000 0.295 245 T C -0.744 173.974 174.700 0.030 0.000 1.061 245 T CA -0.796 61.319 62.100 0.026 0.000 1.000 245 T CB 2.322 71.202 68.868 0.019 0.000 1.103 245 T HN 0.502 nan 8.240 nan 0.000 0.486 246 Q N 1.732 121.549 119.800 0.028 0.000 3.122 246 Q HA 0.251 4.591 4.340 0.000 0.000 0.282 246 Q C -1.759 174.249 176.000 0.013 0.000 0.947 246 Q CA -1.997 53.822 55.803 0.026 0.000 0.812 246 Q CB 1.577 30.335 28.738 0.034 0.000 1.333 246 Q HN 0.600 nan 8.270 nan 0.000 0.430 247 P HA -0.223 nan 4.420 nan 0.000 0.217 247 P C 0.107 177.407 177.300 0.001 0.000 1.148 247 P CA 1.426 64.530 63.100 0.007 0.000 0.834 247 P CB 0.442 32.147 31.700 0.009 0.000 0.783 248 E N -0.344 119.856 120.200 0.000 0.000 2.451 248 E HA 0.366 4.716 4.350 0.000 0.000 0.194 248 E C 0.957 177.546 176.600 -0.020 0.000 1.027 248 E CA 0.017 56.413 56.400 -0.007 0.000 0.914 248 E CB 0.083 29.781 29.700 -0.003 0.000 1.054 248 E HN 0.266 nan 8.360 nan 0.000 0.461 249 G N 0.867 109.653 108.800 -0.024 0.000 2.660 249 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 249 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 249 G C -0.081 174.777 174.900 -0.070 0.000 1.345 249 G CA -0.465 44.603 45.100 -0.054 0.000 0.877 249 G HN 0.405 nan 8.290 nan 0.000 0.549 250 V N -2.804 117.012 119.914 -0.164 0.000 3.093 250 V HA 0.883 5.003 4.120 0.000 0.000 0.320 250 V C 1.439 177.422 176.094 -0.185 0.000 1.093 250 V CA 0.861 63.034 62.300 -0.213 0.000 1.016 250 V CB 1.503 32.976 31.823 -0.583 0.000 1.096 250 V HN 2.299 nan 8.190 nan 0.000 0.452 251 S N 0.884 116.572 115.700 -0.019 0.000 2.524 251 S HA 0.209 4.679 4.470 0.000 0.000 0.216 251 S C 0.516 175.215 174.600 0.166 0.000 0.987 251 S CA -0.028 58.219 58.200 0.077 0.000 0.909 251 S CB -0.654 62.645 63.200 0.165 0.000 0.781 251 S HN 1.044 nan 8.310 nan 0.000 0.521 252 F N 1.562 121.667 119.950 0.258 0.000 2.371 252 F HA 0.735 5.262 4.527 -0.000 0.000 0.329 252 F C -0.120 175.716 175.800 0.059 0.000 1.107 252 F CA -1.331 56.802 58.000 0.222 0.000 1.137 252 F CB 0.706 39.796 39.000 0.150 0.000 1.214 252 F HN -0.074 nan 8.300 nan 0.000 0.536 253 K N 4.168 124.718 120.400 0.249 0.000 2.463 253 K HA 0.428 4.748 4.320 0.000 0.000 0.255 253 K C -1.473 175.170 176.600 0.072 0.000 0.942 253 K CA -0.743 55.603 56.287 0.098 0.000 0.814 253 K CB 1.153 33.675 32.500 0.036 0.000 1.122 253 K HN 0.803 nan 8.250 nan 0.000 0.425 254 M N 3.192 122.818 119.600 0.043 0.000 2.205 254 M HA 0.228 4.708 4.480 0.000 0.000 0.344 254 M C -0.798 175.496 176.300 -0.010 0.000 1.085 254 M CA -0.459 54.800 55.300 -0.069 0.000 1.001 254 M CB 1.788 34.235 32.600 -0.255 0.000 1.626 254 M HN 0.531 nan 8.290 nan 0.000 0.442 255 T N 2.764 117.301 114.554 -0.028 0.000 3.060 255 T HA 0.546 4.896 4.350 0.000 0.000 0.367 255 T C 0.749 175.461 174.700 0.019 0.000 1.229 255 T CA 0.277 62.388 62.100 0.018 0.000 1.104 255 T CB 0.898 69.785 68.868 0.031 0.000 1.083 255 T HN 1.054 nan 8.240 nan 0.000 0.524 256 G N 4.160 112.982 108.800 0.037 0.000 2.543 256 G HA2 -0.307 3.653 3.960 0.000 0.000 0.286 256 G HA3 -0.307 3.653 3.960 0.000 0.000 0.286 256 G C 0.696 175.571 174.900 -0.041 0.000 1.153 256 G CA 0.033 45.155 45.100 0.036 0.000 0.968 256 G HN 0.558 nan 8.290 nan 0.000 0.544 257 N N 0.534 119.162 118.700 -0.121 0.000 2.236 257 N HA 0.218 4.958 4.740 0.000 0.000 0.196 257 N C 0.403 175.648 175.510 -0.440 0.000 1.114 257 N CA 0.573 53.426 53.050 -0.329 0.000 0.859 257 N CB 1.016 39.174 38.487 -0.548 0.000 0.982 257 N HN 0.377 nan 8.380 nan 0.000 0.493 258 V N 2.474 122.237 119.914 -0.251 0.000 2.432 258 V HA 0.188 4.308 4.120 0.000 0.000 0.271 258 V C 0.307 176.218 176.094 -0.305 0.000 1.046 258 V CA -0.420 61.745 62.300 -0.225 0.000 0.945 258 V CB 1.069 32.883 31.823 -0.016 0.000 0.992 258 V HN 0.109 nan 8.190 nan 0.000 0.471 259 M N 5.389 124.662 119.600 -0.545 0.000 2.363 259 M HA 0.527 5.007 4.480 0.000 0.000 0.343 259 M C -0.556 175.464 176.300 -0.467 0.000 1.165 259 M CA 0.168 55.076 55.300 -0.654 0.000 1.046 259 M CB 1.299 33.130 32.600 -1.282 0.000 1.648 259 M HN 0.648 nan 8.290 nan 0.000 0.452 260 E N 3.676 123.765 120.200 -0.186 0.000 2.265 260 E HA 0.451 4.801 4.350 0.000 0.000 0.262 260 E C -2.283 174.425 176.600 0.181 0.000 0.889 260 E CA -0.269 56.122 56.400 -0.015 0.000 0.789 260 E CB 1.689 31.385 29.700 -0.005 0.000 1.221 260 E HN 0.772 nan 8.360 nan 0.000 0.414 261 W N 2.609 123.918 121.300 0.015 0.000 3.827 261 W HA 0.193 4.853 4.660 0.000 0.000 0.307 261 W C -0.261 176.353 176.519 0.158 0.000 1.204 261 W CA -0.394 57.013 57.345 0.102 0.000 1.250 261 W CB 1.463 30.994 29.460 0.119 0.000 1.281 261 W HN 0.432 nan 8.180 nan 0.000 0.494 262 S N 4.991 120.261 115.700 -0.716 0.000 3.491 262 S HA -0.326 4.144 4.470 0.000 0.000 0.371 262 S C 0.842 175.153 174.600 -0.482 0.000 0.980 262 S CA 1.985 59.723 58.200 -0.770 0.000 1.204 262 S CB -1.359 60.965 63.200 -1.460 0.000 0.915 262 S HN 1.024 nan 8.310 nan 0.000 0.482 263 N N -2.415 116.027 118.700 -0.429 0.000 2.967 263 N HA -0.175 4.565 4.740 0.000 0.000 0.218 263 N C -0.171 175.013 175.510 -0.544 0.000 0.870 263 N CA 1.730 54.384 53.050 -0.660 0.000 1.030 263 N CB -1.494 36.206 38.487 -1.312 0.000 1.027 263 N HN 0.562 nan 8.380 nan 0.000 0.603 264 F N 1.602 121.486 119.950 -0.111 0.000 2.399 264 F HA 0.413 4.940 4.527 0.000 0.000 0.342 264 F C 0.963 176.844 175.800 0.136 0.000 1.106 264 F CA 0.268 58.373 58.000 0.175 0.000 1.196 264 F CB 0.885 40.148 39.000 0.438 0.000 1.163 264 F HN -0.173 nan 8.300 nan 0.000 0.547 265 K N 4.507 125.171 120.400 0.439 0.000 2.535 265 K HA 0.571 4.891 4.320 0.000 0.000 0.250 265 K C -1.823 174.986 176.600 0.349 0.000 0.948 265 K CA -0.479 55.933 56.287 0.210 0.000 0.796 265 K CB 1.474 34.049 32.500 0.125 0.000 1.216 265 K HN 0.515 nan 8.250 nan 0.000 0.432 266 F N -0.318 119.645 119.950 0.022 0.000 2.741 266 F HA 0.388 4.915 4.527 -0.000 0.000 0.311 266 F C -1.477 174.311 175.800 -0.021 0.000 1.149 266 F CA -1.182 56.829 58.000 0.019 0.000 0.930 266 F CB 0.908 39.887 39.000 -0.035 0.000 1.312 266 F HN 0.407 nan 8.300 nan 0.000 0.450 267 H N 2.570 121.689 119.070 0.081 0.000 2.488 267 H HA 0.535 5.092 4.556 0.000 0.000 0.322 267 H C -1.108 174.200 175.328 -0.032 0.000 1.078 267 H CA -0.563 55.413 56.048 -0.119 0.000 1.260 267 H CB 1.403 30.993 29.762 -0.286 0.000 1.425 267 H HN 0.735 nan 8.280 nan 0.000 0.471 268 I N 5.674 125.959 120.570 -0.475 0.000 2.287 268 I HA 0.215 4.385 4.170 0.000 0.000 0.290 268 I C 1.026 176.994 176.117 -0.248 0.000 1.069 268 I CA -0.307 60.862 61.300 -0.218 0.000 1.237 268 I CB 0.958 38.849 38.000 -0.181 0.000 1.418 268 I HN 0.545 nan 8.210 nan 0.000 0.481 269 G N 5.205 114.024 108.800 0.032 0.000 2.552 269 G HA2 0.709 4.669 3.960 0.000 0.000 0.318 269 G HA3 0.709 4.669 3.960 0.000 0.000 0.318 269 G C -1.493 173.530 174.900 0.206 0.000 1.240 269 G CA -0.318 44.885 45.100 0.171 0.000 1.002 269 G HN 0.388 nan 8.290 nan 0.000 0.493 270 F N 0.440 120.416 119.950 0.043 0.000 2.669 270 F HA 0.443 4.970 4.527 0.000 0.000 0.315 270 F C -1.281 174.589 175.800 0.115 0.000 1.109 270 F CA -0.946 57.087 58.000 0.054 0.000 1.028 270 F CB 1.920 40.947 39.000 0.044 0.000 1.287 270 F HN 0.817 nan 8.300 nan 0.000 0.452 271 N N 2.302 120.920 118.700 -0.135 0.000 2.525 271 N HA 0.250 4.990 4.740 0.000 0.000 0.270 271 N C 0.146 175.610 175.510 -0.077 0.000 1.321 271 N CA -0.499 52.628 53.050 0.128 0.000 0.797 271 N CB 0.428 38.990 38.487 0.125 0.000 1.529 271 N HN 0.523 nan 8.380 nan 0.000 0.491 272 Y N -0.832 119.382 120.300 -0.143 0.000 2.298 272 Y HA -0.031 4.519 4.550 -0.000 0.000 0.287 272 Y C 2.038 177.485 175.900 -0.756 0.000 1.164 272 Y CA 1.468 59.076 58.100 -0.820 0.000 1.229 272 Y CB -0.395 37.187 38.460 -1.463 0.000 0.977 272 Y HN 0.657 nan 8.280 nan 0.000 0.538 273 R N 0.335 119.937 120.500 -1.497 0.000 2.056 273 R HA 0.056 4.396 4.340 0.000 0.000 0.215 273 R C 2.042 177.918 176.300 -0.706 0.000 1.205 273 R CA 1.051 56.403 56.100 -1.247 0.000 1.020 273 R CB -0.018 29.341 30.300 -1.569 0.000 0.911 273 R HN 0.426 nan 8.270 nan 0.000 0.451 274 E N -0.230 119.659 120.200 -0.518 0.000 2.358 274 E HA 0.119 4.469 4.350 0.000 0.000 0.195 274 E C 0.865 177.246 176.600 -0.365 0.000 1.010 274 E CA 0.405 56.620 56.400 -0.309 0.000 0.856 274 E CB 0.365 29.976 29.700 -0.148 0.000 0.795 274 E HN 0.570 nan 8.360 nan 0.000 0.504 275 G N 1.856 110.269 108.800 -0.645 0.000 2.514 275 G HA2 -0.333 3.627 3.960 0.000 0.000 0.265 275 G HA3 -0.333 3.627 3.960 0.000 0.000 0.265 275 G C 0.065 174.407 174.900 -0.931 0.000 1.150 275 G CA -0.217 44.276 45.100 -1.013 0.000 0.959 275 G HN 0.185 nan 8.290 nan 0.000 0.556 276 I N 1.063 121.451 120.570 -0.303 0.000 2.710 276 I HA 0.330 4.500 4.170 0.000 0.000 0.286 276 I C 0.319 176.295 176.117 -0.234 0.000 1.181 276 I CA 0.138 61.404 61.300 -0.057 0.000 1.430 276 I CB 0.767 38.831 38.000 0.107 0.000 1.367 276 I HN 0.332 nan 8.210 nan 0.000 0.577 277 V N 7.863 127.647 119.914 -0.217 0.000 2.482 277 V HA 0.344 4.464 4.120 0.000 0.000 0.295 277 V C -0.131 175.813 176.094 -0.249 0.000 1.026 277 V CA -0.531 61.607 62.300 -0.270 0.000 0.856 277 V CB 1.657 33.382 31.823 -0.163 0.000 1.001 277 V HN 0.445 nan 8.190 nan 0.000 0.424 278 L N 4.196 125.179 121.223 -0.399 0.000 2.275 278 L HA 0.683 5.023 4.340 0.000 0.000 0.288 278 L C 0.217 176.986 176.870 -0.169 0.000 1.046 278 L CA 0.142 54.834 54.840 -0.247 0.000 0.805 278 L CB 1.568 43.384 42.059 -0.405 0.000 1.193 278 L HN 0.618 nan 8.230 nan 0.000 0.426 279 S N 0.661 116.340 115.700 -0.035 0.000 2.634 279 S HA 0.302 4.772 4.470 0.000 0.000 0.296 279 S C -0.547 174.070 174.600 0.027 0.000 1.104 279 S CA -0.631 57.493 58.200 -0.126 0.000 0.920 279 S CB 1.756 64.779 63.200 -0.294 0.000 1.111 279 S HN 0.755 nan 8.310 nan 0.000 0.493 280 D N 1.003 121.390 120.400 -0.022 0.000 2.735 280 D HA -0.147 4.493 4.640 0.000 0.000 0.235 280 D C -0.746 175.709 176.300 0.259 0.000 1.175 280 D CA 0.359 54.477 54.000 0.196 0.000 0.683 280 D CB -1.152 39.842 40.800 0.324 0.000 1.008 280 D HN 0.245 nan 8.370 nan 0.000 0.416 281 V N 1.380 121.430 119.914 0.227 0.000 2.461 281 V HA 0.587 4.707 4.120 0.000 0.000 0.275 281 V C 0.869 177.102 176.094 0.232 0.000 1.047 281 V CA 0.267 62.731 62.300 0.273 0.000 0.955 281 V CB 1.458 33.407 31.823 0.210 0.000 0.988 281 V HN 0.517 nan 8.190 nan 0.000 0.471 282 S N 4.462 120.354 115.700 0.319 0.000 2.627 282 S HA 0.777 5.247 4.470 0.000 0.000 0.283 282 S C -1.377 173.434 174.600 0.351 0.000 1.127 282 S CA -0.796 57.566 58.200 0.270 0.000 0.863 282 S CB 2.079 65.404 63.200 0.208 0.000 1.121 282 S HN 0.598 nan 8.310 nan 0.000 0.479 283 Y N 1.683 122.073 120.300 0.151 0.000 2.361 283 Y HA 0.524 5.074 4.550 -0.000 0.000 0.337 283 Y C -0.582 175.366 175.900 0.081 0.000 0.965 283 Y CA -0.794 57.338 58.100 0.053 0.000 1.091 283 Y CB 1.604 40.078 38.460 0.024 0.000 1.182 283 Y HN 0.859 nan 8.280 nan 0.000 0.450 284 N N 4.813 123.298 118.700 -0.358 0.000 2.448 284 N HA 0.017 4.757 4.740 0.000 0.000 0.250 284 N C -1.119 174.323 175.510 -0.113 0.000 1.136 284 N CA 0.118 53.058 53.050 -0.183 0.000 0.953 284 N CB 0.198 38.541 38.487 -0.240 0.000 1.251 284 N HN 0.670 nan 8.380 nan 0.000 0.502 285 D N 2.719 123.249 120.400 0.216 0.000 2.517 285 D HA 0.063 4.703 4.640 0.000 0.000 0.220 285 D C -0.437 175.963 176.300 0.167 0.000 1.158 285 D CA -0.089 54.100 54.000 0.316 0.000 0.992 285 D CB -0.810 40.245 40.800 0.424 0.000 1.058 285 D HN 0.564 nan 8.370 nan 0.000 0.516 286 H N 1.495 120.619 119.070 0.091 0.000 2.506 286 H HA -0.195 4.361 4.556 0.000 0.000 0.323 286 H C 1.490 176.830 175.328 0.022 0.000 1.076 286 H CA 0.959 57.028 56.048 0.035 0.000 1.108 286 H CB -0.988 28.797 29.762 0.038 0.000 1.569 286 H HN 0.674 nan 8.280 nan 0.000 0.399 287 G N 0.200 109.041 108.800 0.068 0.000 2.284 287 G HA2 -0.358 3.602 3.960 0.000 0.000 0.230 287 G HA3 -0.358 3.602 3.960 0.000 0.000 0.230 287 G C 0.297 175.221 174.900 0.039 0.000 1.021 287 G CA 0.090 45.217 45.100 0.045 0.000 0.619 287 G HN 0.755 nan 8.290 nan 0.000 0.510 288 N N 0.822 119.560 118.700 0.064 0.000 2.521 288 N HA 0.422 5.162 4.740 0.000 0.000 0.236 288 N C 0.066 175.620 175.510 0.074 0.000 1.067 288 N CA -0.372 52.711 53.050 0.055 0.000 0.939 288 N CB 0.675 39.194 38.487 0.054 0.000 1.201 288 N HN 0.071 nan 8.380 nan 0.000 0.511 289 V N 4.666 124.612 119.914 0.053 0.000 2.415 289 V HA 0.137 4.257 4.120 0.000 0.000 0.267 289 V C 0.441 176.593 176.094 0.097 0.000 1.042 289 V CA 0.034 62.377 62.300 0.072 0.000 1.000 289 V CB -0.076 31.774 31.823 0.045 0.000 1.015 289 V HN 0.595 nan 8.190 nan 0.000 0.478 290 R N 5.901 126.499 120.500 0.164 0.000 2.338 290 R HA 0.461 4.801 4.340 0.000 0.000 0.317 290 R C -2.746 173.684 176.300 0.217 0.000 0.968 290 R CA -1.867 54.337 56.100 0.175 0.000 0.849 290 R CB 1.516 31.930 30.300 0.189 0.000 1.128 290 R HN 0.397 nan 8.270 nan 0.000 0.448 291 P HA 0.127 nan 4.420 nan 0.000 0.272 291 P C -0.099 177.234 177.300 0.055 0.000 1.223 291 P CA 0.053 63.223 63.100 0.117 0.000 0.784 291 P CB 0.873 32.631 31.700 0.096 0.000 0.923 292 I N -0.587 119.913 120.570 -0.117 0.000 3.669 292 I HA 0.217 4.387 4.170 0.000 0.000 0.255 292 I C -0.144 175.611 176.117 -0.604 0.000 1.144 292 I CA 0.397 61.354 61.300 -0.571 0.000 1.447 292 I CB 0.248 37.663 38.000 -0.976 0.000 1.622 292 I HN 0.118 nan 8.210 nan 0.000 0.435 293 F N 0.091 119.990 119.950 -0.085 0.000 2.565 293 F HA 0.366 4.893 4.527 -0.000 0.000 0.313 293 F C 0.988 176.793 175.800 0.008 0.000 1.091 293 F CA -0.955 57.000 58.000 -0.075 0.000 0.915 293 F CB 0.828 39.736 39.000 -0.153 0.000 1.208 293 F HN -0.017 nan 8.300 nan 0.000 0.453 294 H N 1.497 120.643 119.070 0.126 0.000 2.465 294 H HA 0.306 4.862 4.556 0.000 0.000 0.289 294 H C 0.061 175.375 175.328 -0.023 0.000 1.022 294 H CA 0.764 56.834 56.048 0.036 0.000 1.340 294 H CB 0.581 30.325 29.762 -0.030 0.000 1.437 294 H HN 0.590 nan 8.280 nan 0.000 0.539 295 R N 0.490 120.914 120.500 -0.128 0.000 2.579 295 R HA 0.372 4.712 4.340 0.000 0.000 0.260 295 R C -2.200 173.947 176.300 -0.256 0.000 1.103 295 R CA -0.483 55.466 56.100 -0.252 0.000 0.942 295 R CB 1.860 31.990 30.300 -0.284 0.000 1.251 295 R HN 0.228 nan 8.270 nan 0.000 0.450 296 I N 2.660 123.034 120.570 -0.327 0.000 2.692 296 I HA 0.626 4.796 4.170 0.000 0.000 0.293 296 I C -1.544 174.306 176.117 -0.445 0.000 1.200 296 I CA -0.080 60.982 61.300 -0.396 0.000 1.036 296 I CB 2.125 39.831 38.000 -0.491 0.000 1.258 296 I HN 0.938 nan 8.210 nan 0.000 0.421 297 S N 6.128 121.685 115.700 -0.239 0.000 2.663 297 S HA 0.491 4.961 4.470 0.000 0.000 0.264 297 S C -1.760 172.952 174.600 0.186 0.000 1.112 297 S CA -1.079 57.067 58.200 -0.091 0.000 0.823 297 S CB 0.925 64.026 63.200 -0.166 0.000 1.111 297 S HN 0.604 nan 8.310 nan 0.000 0.476 298 L N 2.667 124.052 121.223 0.271 0.000 2.264 298 L HA 0.492 4.832 4.340 0.000 0.000 0.289 298 L C 1.282 178.207 176.870 0.092 0.000 1.044 298 L CA -0.169 54.800 54.840 0.215 0.000 0.807 298 L CB 1.675 43.891 42.059 0.262 0.000 1.192 298 L HN 1.020 nan 8.230 nan 0.000 0.425 299 S N 0.793 116.531 115.700 0.064 0.000 2.503 299 S HA 0.192 4.662 4.470 0.000 0.000 0.215 299 S C 0.323 174.940 174.600 0.028 0.000 1.003 299 S CA -0.152 58.114 58.200 0.110 0.000 0.910 299 S CB 0.466 63.782 63.200 0.193 0.000 0.790 299 S HN 0.664 nan 8.310 nan 0.000 0.514 300 E N -0.714 119.390 120.200 -0.159 0.000 2.417 300 E HA 0.664 5.014 4.350 0.000 0.000 0.280 300 E C -1.781 174.656 176.600 -0.271 0.000 1.112 300 E CA -0.423 55.824 56.400 -0.256 0.000 0.863 300 E CB 1.101 30.549 29.700 -0.421 0.000 1.346 300 E HN 0.318 nan 8.360 nan 0.000 0.443 301 M N 1.424 120.981 119.600 -0.072 0.000 2.644 301 M HA 0.638 5.118 4.480 0.000 0.000 0.273 301 M C -1.394 175.030 176.300 0.207 0.000 1.253 301 M CA -0.852 54.440 55.300 -0.013 0.000 0.852 301 M CB 2.569 35.023 32.600 -0.245 0.000 1.708 301 M HN 0.574 nan 8.290 nan 0.000 0.471 302 I N 0.793 121.433 120.570 0.117 0.000 2.710 302 I HA 0.460 4.630 4.170 0.000 0.000 0.290 302 I C -1.692 174.403 176.117 -0.037 0.000 1.318 302 I CA -0.591 60.753 61.300 0.073 0.000 1.045 302 I CB 1.976 40.003 38.000 0.044 0.000 1.307 302 I HN 0.426 nan 8.210 nan 0.000 0.424 303 V N 8.765 128.691 119.914 0.020 0.000 2.260 303 V HA 0.332 4.452 4.120 0.000 0.000 0.263 303 V C -2.253 173.880 176.094 0.065 0.000 1.036 303 V CA -1.249 61.027 62.300 -0.039 0.000 0.874 303 V CB 0.738 32.574 31.823 0.022 0.000 1.116 303 V HN 0.521 nan 8.190 nan 0.000 0.454 304 P HA 0.204 nan 4.420 nan 0.000 0.276 304 P C -0.533 176.761 177.300 -0.010 0.000 1.253 304 P CA -0.023 63.121 63.100 0.074 0.000 0.766 304 P CB 0.689 32.363 31.700 -0.044 0.000 0.845 305 F N 1.881 121.871 119.950 0.068 0.000 2.382 305 F HA 0.396 4.923 4.527 -0.000 0.000 0.331 305 F C 1.934 177.715 175.800 -0.031 0.000 1.121 305 F CA 0.529 58.562 58.000 0.054 0.000 1.183 305 F CB 0.665 39.696 39.000 0.053 0.000 1.207 305 F HN 0.376 nan 8.300 nan 0.000 0.555 306 G N 0.354 109.199 108.800 0.076 0.000 3.434 306 G HA2 0.081 4.041 3.960 0.000 0.000 0.258 306 G HA3 0.081 4.041 3.960 0.000 0.000 0.258 306 G C -0.074 174.734 174.900 -0.154 0.000 1.128 306 G CA -0.042 45.046 45.100 -0.020 0.000 0.792 306 G HN 0.505 nan 8.290 nan 0.000 0.539 307 S N 1.314 116.873 115.700 -0.234 0.000 2.438 307 S HA 0.451 4.921 4.470 0.000 0.000 0.293 307 S C -0.789 173.537 174.600 -0.457 0.000 1.141 307 S CA -1.435 56.476 58.200 -0.482 0.000 1.080 307 S CB 1.881 64.635 63.200 -0.743 0.000 0.978 307 S HN 0.082 nan 8.310 nan 0.000 0.479 308 P HA 0.038 nan 4.420 nan 0.000 0.236 308 P C -0.251 176.920 177.300 -0.216 0.000 1.177 308 P CA 0.292 63.134 63.100 -0.430 0.000 0.773 308 P CB 0.109 31.476 31.700 -0.555 0.000 0.878 309 E N 0.127 120.235 120.200 -0.154 0.000 2.360 309 E HA 0.123 4.473 4.350 0.000 0.000 0.269 309 E C -0.307 176.213 176.600 -0.133 0.000 1.022 309 E CA -0.718 55.661 56.400 -0.036 0.000 0.887 309 E CB 0.245 29.992 29.700 0.079 0.000 0.990 309 E HN 0.050 nan 8.360 nan 0.000 0.426 310 F N 5.452 125.266 119.950 -0.226 0.000 2.572 310 F HA 0.060 4.587 4.527 0.000 0.000 0.370 310 F C -1.362 174.137 175.800 -0.502 0.000 1.103 310 F CA -1.428 56.408 58.000 -0.273 0.000 1.286 310 F CB 0.836 39.742 39.000 -0.156 0.000 1.105 310 F HN 0.349 nan 8.300 nan 0.000 0.583 311 P HA 0.134 nan 4.420 nan 0.000 0.262 311 P C -0.088 176.760 177.300 -0.753 0.000 1.651 311 P CA 0.282 62.584 63.100 -1.330 0.000 1.119 311 P CB -0.369 30.627 31.700 -1.174 0.000 1.552 312 H N 0.548 119.360 119.070 -0.429 0.000 2.545 312 H HA -0.093 4.463 4.556 0.000 0.000 0.282 312 H C 2.285 177.478 175.328 -0.225 0.000 1.020 312 H CA 0.712 56.553 56.048 -0.344 0.000 1.243 312 H CB 0.125 29.686 29.762 -0.335 0.000 1.377 312 H HN 0.237 nan 8.280 nan 0.000 0.581 313 Q N 1.710 121.431 119.800 -0.132 0.000 2.364 313 Q HA -0.123 4.217 4.340 0.000 0.000 0.207 313 Q C 1.327 177.391 176.000 0.106 0.000 0.970 313 Q CA 1.052 56.835 55.803 -0.034 0.000 0.888 313 Q CB -0.098 28.601 28.738 -0.065 0.000 0.951 313 Q HN 0.483 nan 8.270 nan 0.000 0.469 314 R N 0.862 121.346 120.500 -0.026 0.000 2.313 314 R HA 0.153 4.493 4.340 0.000 0.000 0.199 314 R C 0.107 176.391 176.300 -0.027 0.000 0.958 314 R CA 0.161 56.265 56.100 0.006 0.000 1.047 314 R CB 0.257 30.476 30.300 -0.135 0.000 0.955 314 R HN 0.150 nan 8.270 nan 0.000 0.481 315 K N 1.970 122.397 120.400 0.045 0.000 2.296 315 K HA 0.095 4.415 4.320 0.000 0.000 0.257 315 K C -0.414 176.450 176.600 0.440 0.000 1.088 315 K CA -0.118 56.219 56.287 0.084 0.000 0.980 315 K CB 0.513 32.802 32.500 -0.352 0.000 1.430 315 K HN 0.292 nan 8.250 nan 0.000 0.441 316 H N 0.175 119.461 119.070 0.360 0.000 3.225 316 H HA 0.192 4.748 4.556 0.000 0.000 0.205 316 H C -0.763 174.695 175.328 0.217 0.000 1.314 316 H CA -0.707 55.499 56.048 0.263 0.000 1.336 316 H CB -0.601 29.232 29.762 0.118 0.000 2.276 316 H HN 0.364 nan 8.280 nan 0.000 0.535 317 A N 1.903 124.848 122.820 0.210 0.000 2.540 317 A HA 0.313 4.633 4.320 0.000 0.000 0.239 317 A C 0.201 177.814 177.584 0.048 0.000 1.061 317 A CA -0.185 51.893 52.037 0.068 0.000 0.758 317 A CB 0.141 19.148 19.000 0.010 0.000 0.991 317 A HN 0.485 nan 8.150 nan 0.000 0.502 318 L N 3.464 124.676 121.223 -0.020 0.000 2.494 318 L HA 0.211 4.551 4.340 0.000 0.000 0.251 318 L C 0.667 177.471 176.870 -0.109 0.000 1.119 318 L CA -0.088 54.754 54.840 0.003 0.000 1.026 318 L CB 0.623 42.720 42.059 0.063 0.000 1.370 318 L HN 0.752 nan 8.230 nan 0.000 0.426 319 D N 1.143 121.504 120.400 -0.065 0.000 2.157 319 D HA -0.258 4.382 4.640 0.000 0.000 0.191 319 D C 2.018 178.224 176.300 -0.156 0.000 1.004 319 D CA 1.796 55.785 54.000 -0.018 0.000 0.854 319 D CB 0.285 41.111 40.800 0.044 0.000 0.936 319 D HN 0.483 nan 8.370 nan 0.000 0.446 320 I N 0.723 121.161 120.570 -0.220 0.000 2.202 320 I HA -0.163 4.007 4.170 0.000 0.000 0.242 320 I C 2.543 178.450 176.117 -0.350 0.000 1.091 320 I CA 1.464 62.572 61.300 -0.319 0.000 1.368 320 I CB -0.349 37.490 38.000 -0.268 0.000 1.058 320 I HN 0.016 nan 8.210 nan 0.000 0.410 321 G N -0.382 108.248 108.800 -0.283 0.000 2.623 321 G HA2 -0.091 3.869 3.960 0.000 0.000 0.214 321 G HA3 -0.091 3.869 3.960 0.000 0.000 0.214 321 G C 1.419 176.175 174.900 -0.241 0.000 1.138 321 G CA 0.175 45.100 45.100 -0.292 0.000 0.794 321 G HN 0.403 nan 8.290 nan 0.000 0.535 322 E N -1.397 118.612 120.200 -0.319 0.000 2.389 322 E HA 0.139 4.489 4.350 0.000 0.000 0.199 322 E C 0.856 177.108 176.600 -0.579 0.000 0.978 322 E CA 0.249 56.362 56.400 -0.477 0.000 0.912 322 E CB 0.380 29.665 29.700 -0.691 0.000 0.907 322 E HN 0.555 nan 8.360 nan 0.000 0.494 323 Y N -0.424 119.835 120.300 -0.069 0.000 2.640 323 Y HA 0.342 4.892 4.550 0.000 0.000 0.274 323 Y C 0.767 176.653 175.900 -0.023 0.000 1.164 323 Y CA 0.217 58.300 58.100 -0.029 0.000 1.189 323 Y CB 1.099 39.518 38.460 -0.069 0.000 1.333 323 Y HN -0.039 nan 8.280 nan 0.000 0.494 324 G N 0.828 109.571 108.800 -0.096 0.000 3.421 324 G HA2 0.147 4.107 3.960 0.000 0.000 0.686 324 G HA3 0.147 4.107 3.960 0.000 0.000 0.686 324 G C 0.628 175.267 174.900 -0.434 0.000 1.056 324 G CA -0.255 44.642 45.100 -0.338 0.000 0.891 324 G HN 0.629 nan 8.290 nan 0.000 0.514 325 A N 1.293 123.721 122.820 -0.654 0.000 2.125 325 A HA 0.334 4.654 4.320 0.000 0.000 0.219 325 A C 2.549 179.900 177.584 -0.388 0.000 1.156 325 A CA 2.451 53.951 52.037 -0.896 0.000 0.671 325 A CB -0.307 18.234 19.000 -0.764 0.000 0.794 325 A HN 2.131 nan 8.150 nan 0.000 0.459 326 G N -1.599 106.992 108.800 -0.348 0.000 2.417 326 G HA2 -0.048 3.912 3.960 0.000 0.000 0.212 326 G HA3 -0.048 3.912 3.960 0.000 0.000 0.212 326 G C 1.374 176.398 174.900 0.207 0.000 1.187 326 G CA 0.773 45.881 45.100 0.014 0.000 0.804 326 G HN 0.409 nan 8.290 nan 0.000 0.534 327 Y N 0.794 120.958 120.300 -0.226 0.000 2.207 327 Y HA 0.009 4.559 4.550 -0.000 0.000 0.287 327 Y C 2.840 178.771 175.900 0.053 0.000 1.156 327 Y CA 0.719 58.703 58.100 -0.192 0.000 1.182 327 Y CB -0.349 37.999 38.460 -0.187 0.000 0.979 327 Y HN 0.143 nan 8.280 nan 0.000 0.521 328 M N -1.281 118.437 119.600 0.196 0.000 2.561 328 M HA 0.006 4.486 4.480 0.000 0.000 0.238 328 M C 0.840 177.329 176.300 0.315 0.000 1.131 328 M CA 0.238 55.664 55.300 0.211 0.000 1.046 328 M CB -0.064 32.640 32.600 0.173 0.000 1.532 328 M HN -0.119 nan 8.290 nan 0.000 0.497 329 T N 2.202 116.970 114.554 0.357 0.000 2.940 329 T HA 0.072 4.422 4.350 0.000 0.000 0.309 329 T C 0.155 175.028 174.700 0.287 0.000 1.056 329 T CA -0.084 62.255 62.100 0.398 0.000 1.137 329 T CB 0.272 69.440 68.868 0.500 0.000 0.976 329 T HN 0.231 nan 8.240 nan 0.000 0.547 330 N N 5.004 123.843 118.700 0.231 0.000 2.518 330 N HA 0.361 5.101 4.740 0.000 0.000 0.283 330 N C -2.676 172.896 175.510 0.102 0.000 1.119 330 N CA -1.825 51.315 53.050 0.149 0.000 0.983 330 N CB 0.881 39.438 38.487 0.116 0.000 1.139 330 N HN 0.364 nan 8.380 nan 0.000 0.465 331 P HA 0.141 nan 4.420 nan 0.000 0.276 331 P C -0.436 176.863 177.300 -0.001 0.000 1.243 331 P CA -0.296 62.804 63.100 -0.000 0.000 0.768 331 P CB 0.587 32.275 31.700 -0.021 0.000 0.856 332 L N 2.752 123.973 121.223 -0.003 0.000 2.319 332 L HA 0.193 4.533 4.340 0.000 0.000 0.280 332 L C 0.963 177.818 176.870 -0.026 0.000 1.099 332 L CA 0.194 55.062 54.840 0.047 0.000 0.828 332 L CB 0.150 42.328 42.059 0.197 0.000 1.150 332 L HN 0.312 nan 8.230 nan 0.000 0.442 333 S N 4.816 120.525 115.700 0.016 0.000 2.448 333 S HA 0.237 4.707 4.470 0.000 0.000 0.279 333 S C 0.020 174.656 174.600 0.061 0.000 1.195 333 S CA -0.695 57.506 58.200 0.001 0.000 1.051 333 S CB 0.161 63.369 63.200 0.013 0.000 0.948 333 S HN 0.495 nan 8.310 nan 0.000 0.493 334 L N 5.774 127.037 121.223 0.066 0.000 2.514 334 L HA 0.311 4.651 4.340 0.000 0.000 0.280 334 L C 1.478 178.396 176.870 0.079 0.000 1.223 334 L CA 2.297 57.234 54.840 0.161 0.000 0.864 334 L CB -0.201 41.961 42.059 0.172 0.000 1.118 334 L HN 1.088 nan 8.230 nan 0.000 0.494 335 G N 3.047 111.884 108.800 0.063 0.000 2.363 335 G HA2 -0.348 3.612 3.960 0.000 0.000 0.238 335 G HA3 -0.348 3.612 3.960 0.000 0.000 0.238 335 G C 0.875 175.787 174.900 0.020 0.000 1.062 335 G CA 0.494 45.611 45.100 0.029 0.000 0.629 335 G HN 0.729 nan 8.290 nan 0.000 0.514 336 C N -0.129 119.189 119.300 0.030 0.000 2.742 336 C HA 0.294 4.754 4.460 0.000 0.000 0.284 336 C C 2.367 177.374 174.990 0.030 0.000 1.481 336 C CA 1.307 60.339 59.018 0.023 0.000 1.809 336 C CB -0.723 27.030 27.740 0.023 0.000 1.991 336 C HN 0.544 nan 8.230 nan 0.000 0.660 337 D N 0.317 120.747 120.400 0.050 0.000 2.084 337 D HA -0.051 4.589 4.640 0.000 0.000 0.196 337 D C 0.353 176.692 176.300 0.066 0.000 0.985 337 D CA 1.221 55.263 54.000 0.069 0.000 0.826 337 D CB -0.117 40.737 40.800 0.089 0.000 0.978 337 D HN 0.418 nan 8.370 nan 0.000 0.456 338 c N 2.017 120.642 118.600 0.041 0.000 2.293 338 c HA 0.412 4.982 4.570 0.000 0.000 0.323 338 c C 0.279 174.283 174.090 -0.144 0.000 1.240 338 c CA -1.429 54.841 56.329 -0.099 0.000 1.497 338 c CB 0.827 43.268 42.510 -0.115 0.000 2.171 338 c HN 0.065 nan 8.230 nan 0.000 0.465 339 K N 2.545 122.835 120.400 -0.183 0.000 2.172 339 K HA 0.645 4.965 4.320 0.000 0.000 0.276 339 K C 0.654 177.167 176.600 -0.145 0.000 1.013 339 K CA 0.782 57.002 56.287 -0.112 0.000 0.913 339 K CB 0.846 33.315 32.500 -0.053 0.000 1.055 339 K HN 1.106 nan 8.250 nan 0.000 0.461 340 G N 0.987 109.749 108.800 -0.064 0.000 2.384 340 G HA2 -0.185 3.775 3.960 0.000 0.000 0.204 340 G HA3 -0.185 3.775 3.960 0.000 0.000 0.204 340 G C -1.278 173.618 174.900 -0.007 0.000 1.237 340 G CA -0.556 44.532 45.100 -0.020 0.000 1.060 340 G HN 0.476 nan 8.290 nan 0.000 0.514 341 V N 2.059 121.997 119.914 0.040 0.000 2.372 341 V HA 0.450 4.570 4.120 0.000 0.000 0.261 341 V C 0.450 176.595 176.094 0.084 0.000 1.055 341 V CA -0.346 61.987 62.300 0.054 0.000 0.930 341 V CB 0.525 32.384 31.823 0.060 0.000 1.031 341 V HN 0.568 nan 8.190 nan 0.000 0.479 342 I N 4.227 124.796 120.570 -0.002 0.000 2.525 342 I HA 0.463 4.633 4.170 0.000 0.000 0.301 342 I C -0.072 175.982 176.117 -0.105 0.000 0.992 342 I CA -0.576 60.653 61.300 -0.118 0.000 1.162 342 I CB 1.556 39.272 38.000 -0.473 0.000 1.332 342 I HN 0.549 nan 8.210 nan 0.000 0.458 343 H N 5.723 124.700 119.070 -0.155 0.000 2.587 343 H HA 0.418 4.975 4.556 0.000 0.000 0.325 343 H C -1.634 173.570 175.328 -0.208 0.000 1.012 343 H CA -0.305 55.713 56.048 -0.051 0.000 1.213 343 H CB 0.903 30.769 29.762 0.173 0.000 1.431 343 H HN 0.365 nan 8.280 nan 0.000 0.492 344 Y N 3.805 124.117 120.300 0.020 0.000 2.453 344 Y HA 0.418 4.968 4.550 0.000 0.000 0.326 344 Y C 0.105 176.025 175.900 0.033 0.000 1.186 344 Y CA -0.686 57.434 58.100 0.034 0.000 1.200 344 Y CB 1.594 40.031 38.460 -0.038 0.000 1.247 344 Y HN 0.410 nan 8.280 nan 0.000 0.482 345 L N 2.205 123.534 121.223 0.177 0.000 2.401 345 L HA 0.469 4.809 4.340 0.000 0.000 0.266 345 L C -1.098 175.701 176.870 -0.118 0.000 0.991 345 L CA -1.017 53.838 54.840 0.025 0.000 0.818 345 L CB 2.099 44.146 42.059 -0.019 0.000 1.321 345 L HN 0.576 nan 8.230 nan 0.000 0.413 346 D N 1.036 121.313 120.400 -0.205 0.000 2.326 346 D HA 0.681 5.321 4.640 0.000 0.000 0.251 346 D C -0.469 175.444 176.300 -0.645 0.000 1.023 346 D CA -0.239 53.534 54.000 -0.379 0.000 0.966 346 D CB 2.296 42.896 40.800 -0.333 0.000 1.156 346 D HN 0.554 nan 8.370 nan 0.000 0.494 347 A N 0.823 123.164 122.820 -0.800 0.000 2.355 347 A HA 0.596 4.916 4.320 0.000 0.000 0.324 347 A C -1.017 175.902 177.584 -1.108 0.000 1.117 347 A CA -0.654 50.838 52.037 -0.908 0.000 0.785 347 A CB 1.085 19.570 19.000 -0.859 0.000 1.254 347 A HN 0.550 nan 8.150 nan 0.000 0.453 348 H N 1.216 119.959 119.070 -0.546 0.000 2.609 348 H HA 0.650 5.206 4.556 -0.000 0.000 0.344 348 H C -1.395 173.743 175.328 -0.316 0.000 1.040 348 H CA -0.214 55.589 56.048 -0.408 0.000 1.216 348 H CB 1.261 30.939 29.762 -0.139 0.000 1.529 348 H HN 0.537 nan 8.280 nan 0.000 0.519 349 F N -0.117 119.992 119.950 0.265 0.000 2.814 349 F HA 0.488 5.015 4.527 -0.000 0.000 0.353 349 F C 0.669 176.570 175.800 0.169 0.000 1.177 349 F CA -1.111 57.042 58.000 0.256 0.000 1.036 349 F CB 0.943 40.191 39.000 0.413 0.000 1.455 349 F HN 0.319 nan 8.300 nan 0.000 0.520 350 S N -0.368 115.559 115.700 0.378 0.000 2.532 350 S HA 0.592 5.062 4.470 0.000 0.000 0.301 350 S C -1.257 173.441 174.600 0.163 0.000 1.083 350 S CA -0.723 57.578 58.200 0.169 0.000 1.025 350 S CB 0.799 64.030 63.200 0.051 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.968 122.426 120.400 0.097 0.000 2.506 351 D HA 0.299 4.939 4.640 0.000 0.000 0.272 351 D C 1.190 177.553 176.300 0.106 0.000 1.214 351 D CA -0.746 53.303 54.000 0.081 0.000 1.067 351 D CB 0.246 41.084 40.800 0.062 0.000 1.117 351 D HN 0.523 nan 8.370 nan 0.000 0.578 352 R N -0.636 119.920 120.500 0.093 0.000 2.127 352 R HA -0.152 4.188 4.340 0.000 0.000 0.238 352 R C 1.676 178.102 176.300 0.210 0.000 1.134 352 R CA 1.489 57.667 56.100 0.130 0.000 0.975 352 R CB -0.541 29.797 30.300 0.062 0.000 0.865 352 R HN 0.558 nan 8.270 nan 0.000 0.447 353 A N -0.650 122.258 122.820 0.148 0.000 2.169 353 A HA 0.177 4.497 4.320 0.000 0.000 0.212 353 A C 1.392 179.058 177.584 0.136 0.000 1.153 353 A CA 0.910 53.039 52.037 0.152 0.000 0.756 353 A CB -0.030 19.015 19.000 0.075 0.000 0.813 353 A HN 0.582 nan 8.150 nan 0.000 0.471 354 G N -0.795 108.010 108.800 0.009 0.000 2.144 354 G HA2 -0.153 3.807 3.960 0.000 0.000 0.218 354 G HA3 -0.153 3.807 3.960 0.000 0.000 0.218 354 G C -0.510 174.243 174.900 -0.246 0.000 0.988 354 G CA 0.098 44.942 45.100 -0.427 0.000 0.659 354 G HN 0.457 nan 8.290 nan 0.000 0.522 355 D N 1.200 121.546 120.400 -0.090 0.000 2.177 355 D HA 0.456 5.096 4.640 0.000 0.000 0.247 355 D C -2.440 173.850 176.300 -0.017 0.000 1.063 355 D CA -1.279 52.690 54.000 -0.052 0.000 0.867 355 D CB 1.628 42.418 40.800 -0.016 0.000 1.168 355 D HN 0.024 nan 8.370 nan 0.000 0.445 356 P HA 0.098 nan 4.420 nan 0.000 0.265 356 P C -0.429 176.904 177.300 0.056 0.000 1.193 356 P CA 0.127 63.240 63.100 0.021 0.000 0.765 356 P CB 0.423 32.108 31.700 -0.024 0.000 0.823 357 I N -0.962 119.675 120.570 0.111 0.000 2.646 357 I HA 0.663 4.833 4.170 0.000 0.000 0.299 357 I C -0.736 175.437 176.117 0.093 0.000 1.036 357 I CA -0.634 60.734 61.300 0.115 0.000 1.074 357 I CB 2.564 40.664 38.000 0.168 0.000 1.258 357 I HN 0.056 nan 8.210 nan 0.000 0.430 358 T N 4.173 118.765 114.554 0.063 0.000 2.841 358 T HA 0.529 4.879 4.350 0.000 0.000 0.283 358 T C -0.499 174.158 174.700 -0.072 0.000 1.000 358 T CA -0.496 61.601 62.100 -0.005 0.000 0.977 358 T CB 2.208 71.134 68.868 0.096 0.000 0.979 358 T HN 0.430 nan 8.240 nan 0.000 0.446 359 V N 3.710 123.502 119.914 -0.204 0.000 2.334 359 V HA 0.380 4.500 4.120 0.000 0.000 0.281 359 V C 0.410 176.392 176.094 -0.187 0.000 1.016 359 V CA -0.892 61.335 62.300 -0.122 0.000 0.832 359 V CB 1.255 33.045 31.823 -0.056 0.000 0.999 359 V HN 0.708 nan 8.190 nan 0.000 0.439 360 K N 3.743 124.067 120.400 -0.126 0.000 2.326 360 K HA 0.201 4.521 4.320 0.000 0.000 0.275 360 K C 0.642 177.140 176.600 -0.171 0.000 1.018 360 K CA 0.111 56.309 56.287 -0.149 0.000 0.962 360 K CB 0.065 32.491 32.500 -0.123 0.000 0.953 360 K HN 0.832 nan 8.250 nan 0.000 0.475 361 N N 1.677 120.261 118.700 -0.193 0.000 2.705 361 N HA -0.272 4.468 4.740 0.000 0.000 0.255 361 N C 0.216 175.692 175.510 -0.058 0.000 1.008 361 N CA 0.204 53.150 53.050 -0.174 0.000 0.742 361 N CB -0.585 37.583 38.487 -0.531 0.000 0.906 361 N HN 0.664 nan 8.380 nan 0.000 0.541 362 A N -0.465 122.275 122.820 -0.132 0.000 2.016 362 A HA 0.166 4.486 4.320 0.000 0.000 0.217 362 A C 0.866 178.416 177.584 -0.057 0.000 1.162 362 A CA 1.031 52.973 52.037 -0.158 0.000 0.662 362 A CB 0.682 19.387 19.000 -0.491 0.000 0.812 362 A HN 0.187 nan 8.150 nan 0.000 0.450 363 V N -0.124 119.773 119.914 -0.028 0.000 2.588 363 V HA 0.410 4.530 4.120 0.000 0.000 0.304 363 V C -0.309 175.878 176.094 0.156 0.000 1.042 363 V CA -0.827 61.519 62.300 0.078 0.000 0.877 363 V CB 1.134 32.975 31.823 0.030 0.000 0.996 363 V HN 0.550 nan 8.190 nan 0.000 0.425 364 c N 4.959 123.637 118.600 0.130 0.000 2.456 364 c HA 0.901 5.471 4.570 0.000 0.000 0.325 364 c C -0.605 173.496 174.090 0.018 0.000 1.217 364 c CA -0.749 55.575 56.329 -0.008 0.000 1.687 364 c CB 0.218 42.696 42.510 -0.052 0.000 2.270 364 c HN 0.780 nan 8.230 nan 0.000 0.499 365 I N 5.545 126.079 120.570 -0.059 0.000 2.498 365 I HA 0.643 4.813 4.170 0.000 0.000 0.290 365 I C -0.281 175.788 176.117 -0.079 0.000 1.032 365 I CA -0.096 61.115 61.300 -0.149 0.000 1.073 365 I CB 1.766 39.551 38.000 -0.358 0.000 1.251 365 I HN 0.986 nan 8.210 nan 0.000 0.426 366 H N 3.984 122.873 119.070 -0.301 0.000 2.950 366 H HA 0.452 5.008 4.556 0.000 0.000 0.307 366 H C -2.006 173.248 175.328 -0.124 0.000 1.403 366 H CA -1.114 54.879 56.048 -0.092 0.000 1.145 366 H CB 1.234 30.997 29.762 0.003 0.000 1.844 366 H HN 0.626 nan 8.280 nan 0.000 0.515 367 E N 1.171 121.407 120.200 0.061 0.000 2.207 367 E HA 0.629 4.979 4.350 0.000 0.000 0.270 367 E C -0.968 175.680 176.600 0.081 0.000 0.927 367 E CA -0.943 55.432 56.400 -0.041 0.000 0.799 367 E CB 2.752 32.552 29.700 0.166 0.000 1.172 367 E HN 0.623 nan 8.360 nan 0.000 0.404 368 E N 0.929 121.146 120.200 0.028 0.000 2.393 368 E HA 0.152 4.502 4.350 0.000 0.000 0.273 368 E C -1.305 175.342 176.600 0.078 0.000 0.918 368 E CA -0.962 55.485 56.400 0.079 0.000 0.773 368 E CB 2.008 31.741 29.700 0.055 0.000 1.275 368 E HN 0.531 nan 8.360 nan 0.000 0.451 369 D N 1.009 121.452 120.400 0.072 0.000 2.382 369 D HA -0.006 4.634 4.640 0.000 0.000 0.245 369 D C -0.703 175.622 176.300 0.041 0.000 1.120 369 D CA 0.341 54.378 54.000 0.061 0.000 0.890 369 D CB 1.086 41.913 40.800 0.045 0.000 1.201 369 D HN 0.348 nan 8.370 nan 0.000 0.433 370 D N 1.927 122.352 120.400 0.041 0.000 2.895 370 D HA 0.325 4.965 4.640 0.000 0.000 0.350 370 D C 0.632 176.938 176.300 0.011 0.000 1.389 370 D CA 0.404 54.419 54.000 0.024 0.000 0.812 370 D CB -0.148 40.677 40.800 0.041 0.000 1.164 370 D HN 0.709 nan 8.370 nan 0.000 0.455 371 G N 0.312 109.114 108.800 0.004 0.000 2.539 371 G HA2 -0.257 3.703 3.960 0.000 0.000 0.256 371 G HA3 -0.257 3.703 3.960 0.000 0.000 0.256 371 G C -0.362 174.526 174.900 -0.020 0.000 1.233 371 G CA -0.158 44.938 45.100 -0.007 0.000 0.936 371 G HN 0.309 nan 8.290 nan 0.000 0.571 372 L N 0.537 121.745 121.223 -0.025 0.000 2.326 372 L HA 0.457 4.797 4.340 0.000 0.000 0.278 372 L C 1.646 178.474 176.870 -0.070 0.000 1.092 372 L CA -0.725 54.084 54.840 -0.052 0.000 0.810 372 L CB 1.289 43.333 42.059 -0.025 0.000 1.153 372 L HN 0.570 nan 8.230 nan 0.000 0.439 373 L N 3.945 125.052 121.223 -0.194 0.000 2.168 373 L HA 0.262 4.602 4.340 0.000 0.000 0.203 373 L C -0.183 176.619 176.870 -0.113 0.000 1.078 373 L CA 1.299 55.997 54.840 -0.237 0.000 0.780 373 L CB 0.214 41.958 42.059 -0.524 0.000 0.939 373 L HN 0.584 nan 8.230 nan 0.000 0.451 374 F N -2.628 117.344 119.950 0.037 0.000 2.769 374 F HA 0.565 5.092 4.527 0.000 0.000 0.313 374 F C -0.830 175.000 175.800 0.050 0.000 1.146 374 F CA -1.769 56.254 58.000 0.038 0.000 0.934 374 F CB 0.444 39.462 39.000 0.031 0.000 1.283 374 F HN -0.162 nan 8.300 nan 0.000 0.443 375 K N 0.815 121.431 120.400 0.359 0.000 2.587 375 K HA 0.632 4.952 4.320 0.000 0.000 0.276 375 K C -2.549 174.211 176.600 0.267 0.000 0.956 375 K CA -0.866 55.578 56.287 0.263 0.000 0.857 375 K CB 2.407 34.986 32.500 0.132 0.000 1.431 375 K HN 1.132 nan 8.250 nan 0.000 0.420 376 H N -0.065 119.074 119.070 0.115 0.000 3.151 376 H HA 0.445 5.001 4.556 0.000 0.000 0.333 376 H C -2.019 173.370 175.328 0.102 0.000 1.093 376 H CA -0.257 55.843 56.048 0.087 0.000 1.342 376 H CB 1.850 31.657 29.762 0.075 0.000 1.983 376 H HN 0.526 nan 8.280 nan 0.000 0.503 377 S N 3.201 118.529 115.700 -0.621 0.000 2.542 377 S HA 0.251 4.721 4.470 0.000 0.000 0.293 377 S C -1.267 173.152 174.600 -0.302 0.000 1.089 377 S CA -0.921 57.109 58.200 -0.284 0.000 0.961 377 S CB 1.728 64.912 63.200 -0.027 0.000 1.062 377 S HN 0.656 nan 8.310 nan 0.000 0.483 378 D N 1.504 121.876 120.400 -0.047 0.000 2.280 378 D HA 0.234 4.874 4.640 0.000 0.000 0.243 378 D C 0.841 177.120 176.300 -0.034 0.000 1.129 378 D CA -0.797 53.175 54.000 -0.047 0.000 0.848 378 D CB 0.608 41.339 40.800 -0.115 0.000 1.107 378 D HN 0.449 nan 8.370 nan 0.000 0.471 379 F N 3.761 123.728 119.950 0.029 0.000 2.365 379 F HA 0.034 4.561 4.527 -0.000 0.000 0.300 379 F C 1.852 177.494 175.800 -0.263 0.000 1.090 379 F CA 0.395 58.235 58.000 -0.266 0.000 1.408 379 F CB -0.355 38.601 39.000 -0.074 0.000 1.060 379 F HN 0.219 nan 8.300 nan 0.000 0.534 380 R N 0.994 120.879 120.500 -1.025 0.000 2.117 380 R HA -0.172 4.168 4.340 0.000 0.000 0.243 380 R C 0.496 176.614 176.300 -0.302 0.000 1.143 380 R CA 1.744 57.446 56.100 -0.664 0.000 0.968 380 R CB -0.845 29.079 30.300 -0.627 0.000 0.863 380 R HN 0.543 nan 8.270 nan 0.000 0.444 381 D N -1.514 118.732 120.400 -0.255 0.000 2.755 381 D HA 0.020 4.660 4.640 0.000 0.000 0.257 381 D C -0.530 175.668 176.300 -0.169 0.000 1.291 381 D CA -0.456 53.450 54.000 -0.156 0.000 0.836 381 D CB -0.783 39.961 40.800 -0.094 0.000 1.059 381 D HN 0.137 nan 8.370 nan 0.000 0.486 382 N N 1.049 119.565 118.700 -0.305 0.000 2.727 382 N HA -0.288 4.452 4.740 0.000 0.000 0.249 382 N C -0.666 174.611 175.510 -0.388 0.000 1.048 382 N CA 0.324 53.088 53.050 -0.476 0.000 0.714 382 N CB -0.840 37.516 38.487 -0.218 0.000 0.959 382 N HN 0.238 nan 8.380 nan 0.000 0.544 383 F N -4.704 115.248 119.950 0.003 0.000 2.840 383 F HA -0.324 4.203 4.527 0.000 0.000 0.310 383 F C 1.688 177.496 175.800 0.013 0.000 0.688 383 F CA 0.785 58.782 58.000 -0.006 0.000 1.286 383 F CB -2.198 36.805 39.000 0.005 0.000 1.612 383 F HN 0.297 nan 8.300 nan 0.000 0.335 384 A N -1.059 121.832 122.820 0.118 0.000 1.933 384 A HA -0.030 4.290 4.320 0.000 0.000 0.218 384 A C 1.469 179.130 177.584 0.128 0.000 1.175 384 A CA 1.950 54.056 52.037 0.115 0.000 0.628 384 A CB -0.473 18.561 19.000 0.058 0.000 0.814 384 A HN 0.353 nan 8.150 nan 0.000 0.444 385 T N 0.964 115.565 114.554 0.078 0.000 2.727 385 T HA 0.455 4.805 4.350 0.000 0.000 0.295 385 T C -0.266 174.487 174.700 0.088 0.000 0.915 385 T CA 0.560 62.694 62.100 0.057 0.000 1.066 385 T CB 0.236 69.108 68.868 0.006 0.000 0.891 385 T HN 0.332 nan 8.240 nan 0.000 0.516 386 S N 3.515 119.286 115.700 0.118 0.000 2.547 386 S HA 0.729 5.199 4.470 0.000 0.000 0.270 386 S C -1.914 172.775 174.600 0.147 0.000 1.150 386 S CA -0.883 57.403 58.200 0.143 0.000 0.850 386 S CB 1.177 64.509 63.200 0.221 0.000 1.118 386 S HN 0.664 nan 8.310 nan 0.000 0.461 387 L N 3.738 125.056 121.223 0.158 0.000 2.470 387 L HA 0.869 5.209 4.340 0.000 0.000 0.268 387 L C -1.863 175.134 176.870 0.212 0.000 0.964 387 L CA -0.480 54.457 54.840 0.162 0.000 0.839 387 L CB 1.777 43.924 42.059 0.147 0.000 1.276 387 L HN 0.564 nan 8.230 nan 0.000 0.403 388 V N 2.801 122.836 119.914 0.202 0.000 2.638 388 V HA 0.612 4.732 4.120 0.000 0.000 0.306 388 V C -0.500 175.631 176.094 0.061 0.000 1.052 388 V CA -0.405 61.982 62.300 0.145 0.000 0.885 388 V CB 2.133 34.033 31.823 0.128 0.000 0.999 388 V HN 0.780 nan 8.190 nan 0.000 0.424 389 T N 4.609 119.104 114.554 -0.099 0.000 2.840 389 T HA 0.475 4.825 4.350 0.000 0.000 0.287 389 T C -0.172 174.340 174.700 -0.313 0.000 0.991 389 T CA -0.626 61.313 62.100 -0.267 0.000 0.964 389 T CB 1.262 69.782 68.868 -0.581 0.000 0.954 389 T HN 0.533 nan 8.240 nan 0.000 0.438 390 R N 1.457 121.859 120.500 -0.163 0.000 2.490 390 R HA 0.684 5.024 4.340 0.000 0.000 0.278 390 R C 0.133 176.364 176.300 -0.115 0.000 1.069 390 R CA -0.485 55.548 56.100 -0.111 0.000 1.080 390 R CB 0.821 31.097 30.300 -0.040 0.000 1.030 390 R HN 0.696 nan 8.270 nan 0.000 0.491 391 A N 1.478 124.258 122.820 -0.066 0.000 2.295 391 A HA 0.515 4.835 4.320 0.000 0.000 0.318 391 A C -0.504 177.126 177.584 0.077 0.000 1.134 391 A CA -0.348 51.686 52.037 -0.006 0.000 0.827 391 A CB 1.340 20.346 19.000 0.009 0.000 1.136 391 A HN 0.607 nan 8.150 nan 0.000 0.493 392 T N 1.872 116.530 114.554 0.174 0.000 2.861 392 T HA 0.535 4.885 4.350 0.000 0.000 0.287 392 T C -0.560 174.390 174.700 0.416 0.000 1.003 392 T CA -0.678 61.585 62.100 0.271 0.000 0.977 392 T CB 1.304 70.384 68.868 0.352 0.000 0.996 392 T HN 0.778 nan 8.240 nan 0.000 0.448 393 K N 2.398 122.930 120.400 0.219 0.000 2.259 393 K HA 0.692 5.012 4.320 0.000 0.000 0.249 393 K C -1.127 175.279 176.600 -0.323 0.000 0.942 393 K CA -1.094 55.233 56.287 0.067 0.000 0.816 393 K CB 1.836 34.342 32.500 0.011 0.000 1.155 393 K HN 0.353 nan 8.250 nan 0.000 0.428 394 L N 3.547 124.316 121.223 -0.758 0.000 2.282 394 L HA 0.411 4.751 4.340 0.000 0.000 0.288 394 L C -1.308 175.284 176.870 -0.463 0.000 1.033 394 L CA -0.755 53.502 54.840 -0.971 0.000 0.807 394 L CB 1.591 42.645 42.059 -1.675 0.000 1.209 394 L HN 0.595 nan 8.230 nan 0.000 0.423 395 V N 5.846 125.464 119.914 -0.493 0.000 2.448 395 V HA 0.432 4.552 4.120 0.000 0.000 0.295 395 V C -0.109 175.881 176.094 -0.173 0.000 1.025 395 V CA -0.671 61.456 62.300 -0.289 0.000 0.859 395 V CB 2.014 33.595 31.823 -0.402 0.000 0.988 395 V HN 0.511 nan 8.190 nan 0.000 0.431 396 V N 3.905 123.855 119.914 0.060 0.000 2.350 396 V HA 0.655 4.775 4.120 0.000 0.000 0.285 396 V C 0.018 176.256 176.094 0.239 0.000 1.014 396 V CA -0.048 62.324 62.300 0.120 0.000 0.831 396 V CB 1.479 33.408 31.823 0.176 0.000 1.000 396 V HN 0.908 nan 8.190 nan 0.000 0.433 397 S N 4.267 120.073 115.700 0.177 0.000 2.632 397 S HA 0.886 5.356 4.470 0.000 0.000 0.289 397 S C -1.117 173.550 174.600 0.111 0.000 1.115 397 S CA -0.540 57.721 58.200 0.102 0.000 0.889 397 S CB 2.255 65.452 63.200 -0.005 0.000 1.116 397 S HN 0.919 nan 8.310 nan 0.000 0.486 398 Q N 1.412 121.240 119.800 0.047 0.000 2.534 398 Q HA 0.721 5.061 4.340 0.000 0.000 0.290 398 Q C -1.780 174.250 176.000 0.050 0.000 0.991 398 Q CA -0.975 54.916 55.803 0.146 0.000 0.783 398 Q CB 1.399 30.347 28.738 0.349 0.000 1.470 398 Q HN 0.638 nan 8.270 nan 0.000 0.406 399 I N 2.355 122.999 120.570 0.124 0.000 2.548 399 I HA 0.482 4.652 4.170 0.000 0.000 0.287 399 I C -1.241 175.000 176.117 0.208 0.000 1.103 399 I CA -0.862 60.477 61.300 0.065 0.000 1.049 399 I CB 1.479 39.486 38.000 0.012 0.000 1.232 399 I HN 0.690 nan 8.210 nan 0.000 0.429 400 F N 3.143 123.178 119.950 0.141 0.000 2.538 400 F HA 0.805 5.332 4.527 -0.000 0.000 0.325 400 F C -0.511 175.390 175.800 0.167 0.000 1.066 400 F CA -0.781 57.315 58.000 0.159 0.000 0.946 400 F CB 1.526 40.622 39.000 0.159 0.000 1.199 400 F HN 0.145 nan 8.300 nan 0.000 0.473 401 T N 2.418 117.203 114.554 0.384 0.000 2.770 401 T HA 0.669 5.019 4.350 0.000 0.000 0.283 401 T C -0.377 174.494 174.700 0.285 0.000 0.988 401 T CA -0.436 61.803 62.100 0.233 0.000 0.957 401 T CB 1.186 70.136 68.868 0.138 0.000 0.930 401 T HN 0.906 nan 8.240 nan 0.000 0.443 402 A N 2.857 125.828 122.820 0.251 0.000 2.801 402 A HA 0.756 5.076 4.320 0.000 0.000 0.344 402 A C 1.192 178.752 177.584 -0.040 0.000 1.322 402 A CA 0.081 52.184 52.037 0.110 0.000 0.913 402 A CB -1.019 18.145 19.000 0.273 0.000 1.140 402 A HN 1.473 nan 8.150 nan 0.000 0.487 403 A N 1.835 124.616 122.820 -0.064 0.000 4.919 403 A HA -0.305 4.015 4.320 0.000 0.000 0.331 403 A C 1.006 178.626 177.584 0.061 0.000 1.849 403 A CA 1.604 53.642 52.037 0.002 0.000 0.713 403 A CB -2.046 16.934 19.000 -0.033 0.000 1.393 403 A HN 1.509 nan 8.150 nan 0.000 0.393 407 Y N 1.363 121.337 120.300 -0.544 0.000 2.356 407 Y HA 0.415 4.965 4.550 0.000 0.000 0.334 407 Y C -0.364 175.261 175.900 -0.457 0.000 0.958 407 Y CA -0.773 56.980 58.100 -0.579 0.000 1.196 407 Y CB 1.139 38.995 38.460 -1.007 0.000 1.137 407 Y HN 0.462 nan 8.280 nan 0.000 0.485 408 C N 5.849 125.047 119.300 -0.171 0.000 2.265 408 C HA 0.561 5.021 4.460 0.000 0.000 0.332 408 C C 0.046 174.841 174.990 -0.325 0.000 1.248 408 C CA -1.176 57.706 59.018 -0.226 0.000 1.727 408 C CB -1.205 26.501 27.740 -0.056 0.000 2.348 408 C HN 0.635 nan 8.230 nan 0.000 0.519 409 L N 4.020 124.979 121.223 -0.440 0.000 2.296 409 L HA 0.509 4.849 4.340 0.000 0.000 0.286 409 L C -1.052 175.461 176.870 -0.595 0.000 1.023 409 L CA -0.421 54.189 54.840 -0.383 0.000 0.812 409 L CB 0.628 42.619 42.059 -0.114 0.000 1.223 409 L HN 0.606 nan 8.230 nan 0.000 0.421 410 Y N 0.854 121.010 120.300 -0.240 0.000 2.332 410 Y HA 0.313 4.863 4.550 -0.000 0.000 0.326 410 Y C -0.844 174.872 175.900 -0.307 0.000 0.978 410 Y CA -0.754 57.246 58.100 -0.167 0.000 1.205 410 Y CB 1.046 39.436 38.460 -0.116 0.000 1.131 410 Y HN 0.463 nan 8.280 nan 0.000 0.462 411 W N 3.652 124.969 121.300 0.028 0.000 2.335 411 W HA 0.625 5.285 4.660 -0.000 0.000 0.306 411 W C -0.879 175.585 176.519 -0.092 0.000 1.216 411 W CA -0.719 56.577 57.345 -0.081 0.000 1.237 411 W CB 1.057 30.479 29.460 -0.063 0.000 1.243 411 W HN 0.141 nan 8.180 nan 0.000 0.493 412 V N 5.241 125.122 119.914 -0.056 0.000 2.448 412 V HA 0.427 4.547 4.120 0.000 0.000 0.295 412 V C -0.577 175.364 176.094 -0.254 0.000 1.025 412 V CA -1.113 61.131 62.300 -0.095 0.000 0.859 412 V CB 0.740 32.503 31.823 -0.101 0.000 0.988 412 V HN 0.195 nan 8.190 nan 0.000 0.431 413 F N 4.449 124.278 119.950 -0.202 0.000 2.443 413 F HA 0.729 5.256 4.527 -0.000 0.000 0.335 413 F C 0.314 176.214 175.800 0.166 0.000 1.104 413 F CA -0.475 57.428 58.000 -0.162 0.000 1.013 413 F CB 1.762 40.544 39.000 -0.364 0.000 1.136 413 F HN 0.278 nan 8.300 nan 0.000 0.470 414 M N 1.900 121.823 119.600 0.538 0.000 2.662 414 M HA 0.315 4.795 4.480 0.000 0.000 0.310 414 M C 0.602 177.309 176.300 0.678 0.000 1.204 414 M CA -0.610 55.032 55.300 0.568 0.000 0.891 414 M CB 2.173 34.948 32.600 0.293 0.000 1.732 414 M HN 0.580 nan 8.290 nan 0.000 0.467 415 Q N 0.731 120.807 119.800 0.459 0.000 2.515 415 Q HA -0.105 4.235 4.340 0.000 0.000 0.212 415 Q C 0.261 176.356 176.000 0.158 0.000 0.970 415 Q CA 0.655 56.603 55.803 0.241 0.000 0.941 415 Q CB -0.056 28.747 28.738 0.109 0.000 0.998 415 Q HN 0.606 nan 8.270 nan 0.000 0.518 416 D N -1.540 118.966 120.400 0.177 0.000 2.363 416 D HA 0.067 4.707 4.640 0.000 0.000 0.214 416 D C 1.107 177.421 176.300 0.024 0.000 1.093 416 D CA 0.581 54.622 54.000 0.070 0.000 0.837 416 D CB 0.399 41.256 40.800 0.096 0.000 0.948 416 D HN 0.203 nan 8.370 nan 0.000 0.507 417 G N -0.037 108.865 108.800 0.169 0.000 2.175 417 G HA2 -0.156 3.804 3.960 0.000 0.000 0.244 417 G HA3 -0.156 3.804 3.960 0.000 0.000 0.244 417 G C 0.501 175.721 174.900 0.532 0.000 0.982 417 G CA 0.131 45.374 45.100 0.239 0.000 0.641 417 G HN 0.808 nan 8.290 nan 0.000 0.527 418 A N -0.223 122.819 122.820 0.370 0.000 2.322 418 A HA 0.801 5.121 4.320 0.000 0.000 0.269 418 A C 0.201 177.917 177.584 0.218 0.000 1.094 418 A CA -0.041 52.158 52.037 0.269 0.000 0.807 418 A CB 0.547 19.618 19.000 0.119 0.000 1.047 418 A HN 0.795 nan 8.150 nan 0.000 0.487 419 I N 0.854 121.476 120.570 0.087 0.000 2.509 419 I HA 0.519 4.689 4.170 0.000 0.000 0.293 419 I C 0.178 176.192 176.117 -0.170 0.000 1.020 419 I CA -0.394 60.766 61.300 -0.234 0.000 1.088 419 I CB 1.960 39.752 38.000 -0.345 0.000 1.267 419 I HN 0.784 nan 8.210 nan 0.000 0.430 420 R N 5.777 126.132 120.500 -0.242 0.000 2.744 420 R HA 0.647 4.987 4.340 0.000 0.000 0.279 420 R C -1.898 174.242 176.300 -0.266 0.000 0.977 420 R CA -0.740 55.239 56.100 -0.201 0.000 0.906 420 R CB 2.313 32.526 30.300 -0.146 0.000 1.197 420 R HN 0.589 nan 8.270 nan 0.000 0.463 421 L N 3.764 124.782 121.223 -0.341 0.000 2.319 421 L HA 0.455 4.795 4.340 0.000 0.000 0.281 421 L C -1.471 175.168 176.870 -0.385 0.000 1.005 421 L CA -0.630 53.894 54.840 -0.527 0.000 0.828 421 L CB 1.560 43.170 42.059 -0.749 0.000 1.227 421 L HN 0.692 nan 8.230 nan 0.000 0.415 422 D N 5.981 126.212 120.400 -0.281 0.000 2.192 422 D HA 0.565 5.205 4.640 0.000 0.000 0.246 422 D C -0.395 175.875 176.300 -0.051 0.000 1.042 422 D CA 0.013 53.926 54.000 -0.145 0.000 0.847 422 D CB 2.741 43.472 40.800 -0.116 0.000 1.186 422 D HN 0.353 nan 8.370 nan 0.000 0.461 423 I N 1.539 122.073 120.570 -0.059 0.000 2.545 423 I HA 0.393 4.563 4.170 0.000 0.000 0.292 423 I C -0.073 176.043 176.117 -0.001 0.000 1.040 423 I CA -0.789 60.486 61.300 -0.042 0.000 1.068 423 I CB 2.181 40.063 38.000 -0.197 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.174 126.701 120.500 0.045 0.000 2.513 424 R HA 0.635 4.975 4.340 0.000 0.000 0.301 424 R C -1.399 174.835 176.300 -0.110 0.000 0.968 424 R CA -0.836 55.257 56.100 -0.012 0.000 0.872 424 R CB 2.271 32.607 30.300 0.060 0.000 1.177 424 R HN 0.484 nan 8.270 nan 0.000 0.444 425 L N 2.020 123.129 121.223 -0.190 0.000 2.295 425 L HA 0.539 4.879 4.340 0.000 0.000 0.285 425 L C 0.536 177.240 176.870 -0.277 0.000 1.035 425 L CA -0.296 54.338 54.840 -0.344 0.000 0.806 425 L CB 1.688 43.479 42.059 -0.446 0.000 1.214 425 L HN 0.655 nan 8.230 nan 0.000 0.426 426 T N 0.920 115.293 114.554 -0.302 0.000 2.598 426 T HA 0.824 5.174 4.350 0.000 0.000 0.289 426 T C -0.092 174.466 174.700 -0.236 0.000 1.056 426 T CA 0.413 62.380 62.100 -0.222 0.000 1.088 426 T CB 1.474 70.235 68.868 -0.179 0.000 1.519 426 T HN 1.012 nan 8.240 nan 0.000 0.488 427 G N 0.315 108.986 108.800 -0.215 0.000 2.466 427 G HA2 -0.031 3.929 3.960 0.000 0.000 0.218 427 G HA3 -0.031 3.929 3.960 0.000 0.000 0.218 427 G C -1.068 173.703 174.900 -0.214 0.000 1.237 427 G CA -0.189 44.783 45.100 -0.212 0.000 0.954 427 G HN 0.924 nan 8.290 nan 0.000 0.580 428 I N 0.814 121.252 120.570 -0.219 0.000 2.569 428 I HA 0.469 4.639 4.170 0.000 0.000 0.296 428 I C 0.689 176.706 176.117 -0.168 0.000 1.028 428 I CA -0.910 60.250 61.300 -0.234 0.000 1.082 428 I CB 1.809 39.557 38.000 -0.420 0.000 1.264 428 I HN 0.501 nan 8.210 nan 0.000 0.429 429 L N 4.551 125.778 121.223 0.007 0.000 2.485 429 L HA 0.066 4.406 4.340 0.000 0.000 0.275 429 L C 0.814 177.693 176.870 0.015 0.000 1.207 429 L CA 0.137 55.028 54.840 0.086 0.000 0.855 429 L CB 0.019 42.187 42.059 0.181 0.000 1.114 429 L HN 0.661 nan 8.230 nan 0.000 0.485 430 N N 1.727 120.475 118.700 0.081 0.000 2.497 430 N HA 0.107 4.847 4.740 0.000 0.000 0.271 430 N C -0.799 174.779 175.510 0.113 0.000 1.142 430 N CA -0.171 52.952 53.050 0.121 0.000 0.965 430 N CB 1.007 39.576 38.487 0.137 0.000 1.077 430 N HN 0.698 nan 8.380 nan 0.000 0.462 431 T N 0.707 115.391 114.554 0.216 0.000 2.907 431 T HA 0.447 4.797 4.350 0.000 0.000 0.292 431 T C -1.091 173.692 174.700 0.139 0.000 1.043 431 T CA -0.732 61.451 62.100 0.138 0.000 1.003 431 T CB 1.597 70.593 68.868 0.213 0.000 1.084 431 T HN 0.497 nan 8.240 nan 0.000 0.483 432 Y N 1.112 121.280 120.300 -0.220 0.000 2.576 432 Y HA 0.676 5.226 4.550 0.000 0.000 0.346 432 Y C -0.604 175.200 175.900 -0.160 0.000 1.018 432 Y CA -2.168 55.783 58.100 -0.249 0.000 1.050 432 Y CB 1.526 39.726 38.460 -0.432 0.000 1.280 432 Y HN 1.006 nan 8.280 nan 0.000 0.474 433 I N 4.435 124.379 120.570 -1.044 0.000 2.696 433 I HA 0.251 4.421 4.170 0.000 0.000 0.284 433 I C -1.301 174.551 176.117 -0.442 0.000 1.129 433 I CA -0.275 60.634 61.300 -0.652 0.000 1.410 433 I CB 0.544 38.180 38.000 -0.606 0.000 1.399 433 I HN 0.602 nan 8.210 nan 0.000 0.579 434 L N 7.179 128.269 121.223 -0.223 0.000 2.381 434 L HA 0.634 4.974 4.340 0.000 0.000 0.274 434 L C -0.001 176.823 176.870 -0.077 0.000 0.988 434 L CA -0.101 54.680 54.840 -0.100 0.000 0.824 434 L CB 1.521 43.538 42.059 -0.071 0.000 1.263 434 L HN 0.624 nan 8.230 nan 0.000 0.410 435 G N 2.360 111.141 108.800 -0.032 0.000 2.594 435 G HA2 0.130 4.090 3.960 0.000 0.000 0.243 435 G HA3 0.130 4.090 3.960 0.000 0.000 0.243 435 G C 0.330 175.221 174.900 -0.015 0.000 1.229 435 G CA -0.200 44.889 45.100 -0.019 0.000 0.843 435 G HN 0.786 nan 8.290 nan 0.000 0.578 436 D N 0.122 120.517 120.400 -0.007 0.000 2.149 436 D HA -0.137 4.503 4.640 0.000 0.000 0.198 436 D C 1.542 177.840 176.300 -0.004 0.000 0.990 436 D CA 1.567 55.566 54.000 -0.002 0.000 0.839 436 D CB 0.147 40.953 40.800 0.010 0.000 0.948 436 D HN 0.646 nan 8.370 nan 0.000 0.460 437 D N 0.039 120.440 120.400 0.002 0.000 2.491 437 D HA 0.000 4.640 4.640 0.000 0.000 0.228 437 D C 0.039 176.345 176.300 0.010 0.000 1.183 437 D CA -0.142 53.860 54.000 0.004 0.000 0.827 437 D CB -0.147 40.657 40.800 0.007 0.000 0.989 437 D HN 0.152 nan 8.370 nan 0.000 0.494 438 E N 0.788 120.994 120.200 0.011 0.000 2.166 438 E HA 0.214 4.564 4.350 0.000 0.000 0.275 438 E C -1.017 175.594 176.600 0.020 0.000 0.941 438 E CA -0.700 55.716 56.400 0.026 0.000 0.784 438 E CB 1.482 31.207 29.700 0.042 0.000 1.115 438 E HN -0.038 nan 8.360 nan 0.000 0.399 439 E N 2.939 123.154 120.200 0.024 0.000 2.259 439 E HA 0.282 4.632 4.350 0.000 0.000 0.281 439 E C -0.195 176.424 176.600 0.031 0.000 1.027 439 E CA 0.116 56.522 56.400 0.009 0.000 0.838 439 E CB 1.502 31.196 29.700 -0.010 0.000 1.066 439 E HN 0.548 nan 8.360 nan 0.000 0.401 440 A N 4.141 126.977 122.820 0.027 0.000 1.898 440 A HA 0.217 4.537 4.320 0.000 0.000 0.214 440 A C 1.342 178.952 177.584 0.043 0.000 1.183 440 A CA 0.870 52.948 52.037 0.069 0.000 0.622 440 A CB -0.942 18.093 19.000 0.057 0.000 0.824 440 A HN 0.667 nan 8.150 nan 0.000 0.444 441 G N -0.376 108.405 108.800 -0.032 0.000 2.664 441 G HA2 0.353 4.313 3.960 0.000 0.000 0.242 441 G HA3 0.353 4.313 3.960 0.000 0.000 0.242 441 G C -1.134 173.576 174.900 -0.317 0.000 1.225 441 G CA -0.088 44.934 45.100 -0.130 0.000 0.849 441 G HN 0.268 nan 8.290 nan 0.000 0.581 442 P HA 0.065 nan 4.420 nan 0.000 0.255 442 P C 0.536 177.638 177.300 -0.329 0.000 1.248 442 P CA 0.346 63.110 63.100 -0.559 0.000 0.807 442 P CB 0.160 31.407 31.700 -0.755 0.000 1.150 443 W N 0.726 122.080 121.300 0.090 0.000 3.139 443 W HA 0.366 5.026 4.660 -0.000 0.000 0.260 443 W C 1.048 177.664 176.519 0.160 0.000 1.312 443 W CA -0.119 57.282 57.345 0.093 0.000 1.606 443 W CB 0.279 29.745 29.460 0.009 0.000 1.118 443 W HN -0.001 nan 8.180 nan 0.000 0.675 444 G N -0.622 108.371 108.800 0.321 0.000 2.606 444 G HA2 0.516 4.476 3.960 0.000 0.000 0.300 444 G HA3 0.516 4.476 3.960 0.000 0.000 0.300 444 G C -1.469 173.532 174.900 0.169 0.000 1.360 444 G CA -0.634 44.648 45.100 0.304 0.000 0.783 444 G HN -0.295 nan 8.290 nan 0.000 0.484 445 T N 0.042 114.671 114.554 0.124 0.000 2.861 445 T HA 0.475 4.825 4.350 0.000 0.000 0.287 445 T C -0.067 174.636 174.700 0.005 0.000 1.003 445 T CA -0.618 61.518 62.100 0.061 0.000 0.977 445 T CB 1.890 70.800 68.868 0.070 0.000 0.996 445 T HN 0.566 nan 8.240 nan 0.000 0.448 446 R N 2.878 123.370 120.500 -0.013 0.000 2.325 446 R HA 0.288 4.628 4.340 0.000 0.000 0.323 446 R C 1.060 177.322 176.300 -0.064 0.000 1.177 446 R CA -0.218 55.849 56.100 -0.055 0.000 1.018 446 R CB -0.264 30.005 30.300 -0.052 0.000 1.070 446 R HN 0.576 nan 8.270 nan 0.000 0.495 447 V N 2.138 121.978 119.914 -0.124 0.000 3.608 447 V HA 0.255 4.375 4.120 0.000 0.000 0.269 447 V C -0.210 175.869 176.094 -0.025 0.000 1.245 447 V CA 0.112 62.346 62.300 -0.110 0.000 1.138 447 V CB -0.924 30.753 31.823 -0.244 0.000 0.841 447 V HN 0.677 nan 8.190 nan 0.000 0.451 448 Y N -0.839 119.312 120.300 -0.249 0.000 2.620 448 Y HA 0.564 5.114 4.550 -0.000 0.000 0.331 448 Y C -3.159 172.605 175.900 -0.227 0.000 1.173 448 Y CA -2.273 55.730 58.100 -0.161 0.000 1.076 448 Y CB 1.608 40.011 38.460 -0.095 0.000 1.336 448 Y HN -0.122 nan 8.280 nan 0.000 0.459 449 P HA 0.091 nan 4.420 nan 0.000 0.261 449 P C -0.554 176.475 177.300 -0.452 0.000 1.183 449 P CA 1.213 63.897 63.100 -0.694 0.000 0.761 449 P CB 0.288 31.188 31.700 -1.333 0.000 0.785 450 N N -0.279 118.267 118.700 -0.258 0.000 2.800 450 N HA -0.132 4.608 4.740 0.000 0.000 0.250 450 N C -0.814 174.601 175.510 -0.159 0.000 1.078 450 N CA 0.758 53.709 53.050 -0.165 0.000 0.804 450 N CB -1.519 36.890 38.487 -0.131 0.000 1.135 450 N HN 0.174 nan 8.380 nan 0.000 0.565 451 V N 1.183 121.006 119.914 -0.150 0.000 2.409 451 V HA 0.309 4.429 4.120 0.000 0.000 0.291 451 V C 0.291 176.284 176.094 -0.167 0.000 1.020 451 V CA -0.806 61.396 62.300 -0.163 0.000 0.848 451 V CB 1.985 33.682 31.823 -0.210 0.000 0.990 451 V HN 0.197 nan 8.190 nan 0.000 0.430 452 N N 3.250 121.860 118.700 -0.149 0.000 2.476 452 N HA 0.628 5.368 4.740 0.000 0.000 0.257 452 N C -0.334 175.072 175.510 -0.173 0.000 0.970 452 N CA -0.428 52.556 53.050 -0.110 0.000 0.938 452 N CB 1.189 39.652 38.487 -0.039 0.000 1.144 452 N HN 0.830 nan 8.380 nan 0.000 0.500 453 A N 3.656 126.420 122.820 -0.093 0.000 2.280 453 A HA 0.246 4.566 4.320 0.000 0.000 0.320 453 A C -0.577 177.083 177.584 0.126 0.000 1.366 453 A CA -0.445 51.573 52.037 -0.032 0.000 0.938 453 A CB -0.145 18.837 19.000 -0.029 0.000 1.157 453 A HN 0.840 nan 8.150 nan 0.000 0.536 454 H N 2.148 121.335 119.070 0.194 0.000 2.790 454 H HA 0.051 4.607 4.556 0.000 0.000 0.358 454 H C 0.230 175.743 175.328 0.309 0.000 1.103 454 H CA -0.384 55.826 56.048 0.270 0.000 1.426 454 H CB 0.693 30.643 29.762 0.314 0.000 1.424 454 H HN 0.659 nan 8.280 nan 0.000 0.599 455 N N 2.808 121.710 118.700 0.337 0.000 2.453 455 N HA 0.031 4.771 4.740 0.000 0.000 0.253 455 N C -0.120 175.332 175.510 -0.096 0.000 1.252 455 N CA 0.331 53.407 53.050 0.044 0.000 0.917 455 N CB 0.547 39.075 38.487 0.069 0.000 1.117 455 N HN 0.707 nan 8.380 nan 0.000 0.442 456 H N -2.086 116.671 119.070 -0.522 0.000 2.987 456 H HA 0.313 4.869 4.556 -0.000 0.000 0.316 456 H C -1.435 173.568 175.328 -0.543 0.000 1.380 456 H CA -0.762 54.849 56.048 -0.728 0.000 1.160 456 H CB 0.839 29.639 29.762 -1.603 0.000 1.865 456 H HN 0.416 nan 8.280 nan 0.000 0.521 457 Q N 0.462 120.005 119.800 -0.429 0.000 2.351 457 Q HA 0.391 4.731 4.340 0.000 0.000 0.273 457 Q C -0.836 174.979 176.000 -0.309 0.000 1.077 457 Q CA -1.004 54.614 55.803 -0.309 0.000 0.843 457 Q CB 2.546 31.167 28.738 -0.195 0.000 1.367 457 Q HN 0.510 nan 8.270 nan 0.000 0.449 458 H N 1.647 120.679 119.070 -0.063 0.000 2.762 458 H HA 0.411 4.967 4.556 0.000 0.000 0.310 458 H C -1.000 174.203 175.328 -0.209 0.000 1.004 458 H CA -0.211 55.789 56.048 -0.080 0.000 1.267 458 H CB 0.714 30.549 29.762 0.122 0.000 1.437 458 H HN 0.365 nan 8.280 nan 0.000 0.498 459 L N 3.974 125.030 121.223 -0.278 0.000 2.346 459 L HA 0.474 4.814 4.340 0.000 0.000 0.276 459 L C -0.805 175.839 176.870 -0.377 0.000 1.006 459 L CA -0.786 53.939 54.840 -0.192 0.000 0.817 459 L CB 1.402 43.432 42.059 -0.048 0.000 1.272 459 L HN 0.297 nan 8.230 nan 0.000 0.421 460 F N 0.011 119.836 119.950 -0.208 0.000 2.561 460 F HA 0.449 4.976 4.527 -0.000 0.000 0.321 460 F C 0.331 176.026 175.800 -0.175 0.000 1.065 460 F CA -0.830 56.996 58.000 -0.289 0.000 0.934 460 F CB 2.143 40.727 39.000 -0.693 0.000 1.215 460 F HN 0.227 nan 8.300 nan 0.000 0.471 461 S N 3.221 118.843 115.700 -0.130 0.000 2.577 461 S HA 0.409 4.879 4.470 0.000 0.000 0.294 461 S C -0.869 173.799 174.600 0.114 0.000 1.161 461 S CA -0.581 57.514 58.200 -0.174 0.000 1.143 461 S CB -0.008 62.638 63.200 -0.925 0.000 0.991 461 S HN 0.632 nan 8.310 nan 0.000 0.475 462 L N 5.828 127.235 121.223 0.306 0.000 2.361 462 L HA 0.423 4.763 4.340 0.000 0.000 0.278 462 L C 0.309 177.200 176.870 0.035 0.000 1.113 462 L CA -0.172 54.814 54.840 0.243 0.000 0.849 462 L CB 0.474 42.701 42.059 0.279 0.000 1.155 462 L HN 0.660 nan 8.230 nan 0.000 0.452 463 R N 6.379 126.792 120.500 -0.145 0.000 2.229 463 R HA 0.528 4.868 4.340 0.000 0.000 0.332 463 R C -1.166 174.884 176.300 -0.417 0.000 0.989 463 R CA -0.519 55.247 56.100 -0.557 0.000 0.842 463 R CB 0.789 30.734 30.300 -0.591 0.000 1.119 463 R HN 0.640 nan 8.270 nan 0.000 0.456 464 I N 3.617 123.944 120.570 -0.406 0.000 2.389 464 I HA 0.177 4.347 4.170 0.000 0.000 0.288 464 I C -0.624 175.355 176.117 -0.230 0.000 0.999 464 I CA -0.748 60.333 61.300 -0.366 0.000 1.129 464 I CB 1.895 39.636 38.000 -0.431 0.000 1.288 464 I HN 0.520 nan 8.210 nan 0.000 0.444 465 D N 9.570 129.868 120.400 -0.170 0.000 2.473 465 D HA 0.315 4.955 4.640 0.000 0.000 0.226 465 D C -2.514 173.829 176.300 0.071 0.000 1.089 465 D CA -2.027 51.968 54.000 -0.009 0.000 0.883 465 D CB 1.432 42.264 40.800 0.055 0.000 1.029 465 D HN 0.156 nan 8.370 nan 0.000 0.517 466 P HA 0.325 nan 4.420 nan 0.000 0.279 466 P C -0.438 176.946 177.300 0.139 0.000 1.252 466 P CA -0.566 62.681 63.100 0.245 0.000 0.811 466 P CB 1.342 33.170 31.700 0.213 0.000 1.035 467 R N 1.777 122.348 120.500 0.119 0.000 2.533 467 R HA 0.247 4.587 4.340 0.000 0.000 0.268 467 R C -0.223 176.099 176.300 0.036 0.000 1.303 467 R CA -0.335 55.799 56.100 0.056 0.000 1.429 467 R CB -0.162 30.179 30.300 0.068 0.000 1.361 467 R HN 0.300 nan 8.270 nan 0.000 0.745 468 I N 2.607 123.207 120.570 0.050 0.000 2.818 468 I HA -0.045 4.125 4.170 0.000 0.000 0.285 468 I C 0.521 176.737 176.117 0.165 0.000 1.160 468 I CA 0.989 62.353 61.300 0.107 0.000 1.370 468 I CB -0.359 37.744 38.000 0.172 0.000 1.440 468 I HN 0.616 nan 8.210 nan 0.000 0.555 469 D N 4.952 125.493 120.400 0.234 0.000 2.811 469 D HA -0.150 4.490 4.640 0.000 0.000 0.231 469 D C 0.561 176.882 176.300 0.034 0.000 1.157 469 D CA 1.653 55.712 54.000 0.099 0.000 0.716 469 D CB -0.682 40.078 40.800 -0.066 0.000 1.077 469 D HN 1.187 nan 8.370 nan 0.000 0.428 470 G N -1.055 107.773 108.800 0.046 0.000 2.373 470 G HA2 0.017 3.977 3.960 0.000 0.000 0.634 470 G HA3 0.017 3.977 3.960 0.000 0.000 0.634 470 G C -1.162 173.743 174.900 0.008 0.000 1.267 470 G CA -0.255 44.856 45.100 0.018 0.000 1.008 470 G HN 0.188 nan 8.290 nan 0.000 0.497 471 D N 0.546 120.940 120.400 -0.010 0.000 2.283 471 D HA 0.541 5.181 4.640 0.000 0.000 0.248 471 D C 0.812 177.099 176.300 -0.023 0.000 1.072 471 D CA 1.332 55.318 54.000 -0.025 0.000 0.929 471 D CB 1.257 42.034 40.800 -0.038 0.000 1.182 471 D HN 2.045 nan 8.370 nan 0.000 0.433 472 G N 1.352 110.134 108.800 -0.029 0.000 2.830 472 G HA2 -0.158 3.802 3.960 0.000 0.000 0.298 472 G HA3 -0.158 3.802 3.960 0.000 0.000 0.298 472 G C -0.733 174.135 174.900 -0.054 0.000 1.031 472 G CA -0.775 44.305 45.100 -0.032 0.000 1.179 472 G HN 0.414 nan 8.290 nan 0.000 0.527 473 N N -0.363 118.295 118.700 -0.069 0.000 2.453 473 N HA 0.882 5.622 4.740 0.000 0.000 0.290 473 N C -0.218 175.161 175.510 -0.219 0.000 1.250 473 N CA -0.363 52.606 53.050 -0.134 0.000 0.815 473 N CB 2.214 40.671 38.487 -0.051 0.000 1.381 473 N HN 0.457 nan 8.380 nan 0.000 0.510 474 S N -0.676 114.741 115.700 -0.472 0.000 2.651 474 S HA 0.929 5.399 4.470 0.000 0.000 0.279 474 S C -1.241 173.132 174.600 -0.380 0.000 1.148 474 S CA -0.690 57.201 58.200 -0.516 0.000 0.837 474 S CB 2.053 64.712 63.200 -0.901 0.000 1.138 474 S HN 0.712 nan 8.310 nan 0.000 0.478 475 A N 0.331 123.156 122.820 0.008 0.000 2.469 475 A HA 1.011 5.331 4.320 0.000 0.000 0.299 475 A C -0.944 176.650 177.584 0.016 0.000 1.098 475 A CA -0.529 51.677 52.037 0.281 0.000 0.737 475 A CB 1.548 20.903 19.000 0.591 0.000 1.312 475 A HN 1.425 nan 8.150 nan 0.000 0.414 476 A N -0.290 122.482 122.820 -0.081 0.000 2.610 476 A HA 0.885 5.205 4.320 0.000 0.000 0.291 476 A C -0.451 176.967 177.584 -0.278 0.000 1.086 476 A CA 0.024 51.722 52.037 -0.564 0.000 0.677 476 A CB 0.909 19.842 19.000 -0.111 0.000 1.278 476 A HN 2.474 nan 8.150 nan 0.000 0.414 477 A N -0.217 122.425 122.820 -0.297 0.000 2.312 477 A HA 0.624 4.944 4.320 0.000 0.000 0.326 477 A C -0.415 177.080 177.584 -0.147 0.000 1.172 477 A CA -0.350 51.621 52.037 -0.109 0.000 0.821 477 A CB 0.320 19.391 19.000 0.118 0.000 1.166 477 A HN 1.279 nan 8.150 nan 0.000 0.493 478 C N 2.206 121.380 119.300 -0.210 0.000 2.319 478 C HA 0.630 5.090 4.460 0.000 0.000 0.323 478 C C -0.842 174.041 174.990 -0.177 0.000 1.277 478 C CA -0.829 58.102 59.018 -0.146 0.000 1.517 478 C CB 0.345 28.026 27.740 -0.098 0.000 2.206 478 C HN 0.792 nan 8.230 nan 0.000 0.486 479 D N 2.169 122.479 120.400 -0.151 0.000 2.502 479 D HA 0.484 5.124 4.640 0.000 0.000 0.249 479 D C -0.325 175.857 176.300 -0.196 0.000 1.092 479 D CA 0.090 53.988 54.000 -0.170 0.000 0.839 479 D CB 2.193 42.904 40.800 -0.148 0.000 1.264 479 D HN 0.674 nan 8.370 nan 0.000 0.511 480 A N 2.983 125.695 122.820 -0.180 0.000 2.409 480 A HA 0.430 4.750 4.320 0.000 0.000 0.262 480 A C 0.082 177.521 177.584 -0.242 0.000 1.113 480 A CA 0.037 51.958 52.037 -0.193 0.000 0.790 480 A CB 0.358 19.256 19.000 -0.169 0.000 1.046 480 A HN 0.457 nan 8.150 nan 0.000 0.496 481 K N 1.829 122.031 120.400 -0.331 0.000 2.502 481 K HA 0.462 4.782 4.320 0.000 0.000 0.257 481 K C -0.739 175.816 176.600 -0.076 0.000 0.938 481 K CA -0.660 55.472 56.287 -0.258 0.000 0.819 481 K CB 2.215 34.515 32.500 -0.334 0.000 1.333 481 K HN 0.601 nan 8.250 nan 0.000 0.434 482 S N 0.825 116.562 115.700 0.062 0.000 2.593 482 S HA 0.059 4.529 4.470 0.000 0.000 0.269 482 S C 0.262 175.056 174.600 0.324 0.000 1.334 482 S CA -0.480 57.843 58.200 0.204 0.000 1.015 482 S CB 1.193 64.471 63.200 0.130 0.000 0.912 482 S HN 0.598 nan 8.310 nan 0.000 0.541 483 S N 2.449 118.364 115.700 0.358 0.000 2.568 483 S HA 0.098 4.568 4.470 0.000 0.000 0.282 483 S C -1.160 173.576 174.600 0.226 0.000 1.338 483 S CA -1.115 57.287 58.200 0.336 0.000 1.045 483 S CB 0.302 63.664 63.200 0.270 0.000 0.873 483 S HN 0.562 nan 8.310 nan 0.000 0.516 484 P HA -0.011 nan 4.420 nan 0.000 0.229 484 P C -0.258 176.968 177.300 -0.123 0.000 1.160 484 P CA 0.613 63.694 63.100 -0.030 0.000 0.777 484 P CB -0.092 31.523 31.700 -0.142 0.000 0.814 485 Y N 2.812 123.135 120.300 0.038 0.000 2.425 485 Y HA 0.170 4.720 4.550 -0.000 0.000 0.331 485 Y C -1.261 174.657 175.900 0.030 0.000 1.157 485 Y CA -2.259 55.855 58.100 0.023 0.000 1.372 485 Y CB -0.445 38.021 38.460 0.010 0.000 1.253 485 Y HN 0.046 nan 8.280 nan 0.000 0.536 486 P HA 0.020 nan 4.420 nan 0.000 0.274 486 P C -0.356 176.995 177.300 0.084 0.000 1.246 486 P CA -0.482 62.672 63.100 0.090 0.000 0.795 486 P CB 1.208 32.941 31.700 0.056 0.000 1.006 487 L N 0.789 122.045 121.223 0.056 0.000 2.514 487 L HA 0.119 4.459 4.340 0.000 0.000 0.280 487 L C 1.479 178.347 176.870 -0.002 0.000 1.223 487 L CA 1.728 56.587 54.840 0.031 0.000 0.864 487 L CB -0.617 41.458 42.059 0.027 0.000 1.118 487 L HN 0.897 nan 8.230 nan 0.000 0.494 488 G N 2.394 111.163 108.800 -0.052 0.000 2.176 488 G HA2 -0.293 3.667 3.960 0.000 0.000 0.253 488 G HA3 -0.293 3.667 3.960 0.000 0.000 0.253 488 G C 0.263 175.130 174.900 -0.055 0.000 0.979 488 G CA 0.402 45.452 45.100 -0.082 0.000 0.641 488 G HN 0.963 nan 8.290 nan 0.000 0.530 489 S N 0.042 115.733 115.700 -0.014 0.000 2.632 489 S HA 0.655 5.125 4.470 0.000 0.000 0.271 489 S C -0.929 173.646 174.600 -0.042 0.000 1.260 489 S CA -0.655 57.547 58.200 0.003 0.000 1.010 489 S CB 2.305 65.556 63.200 0.086 0.000 0.965 489 S HN -0.032 nan 8.310 nan 0.000 0.534 490 P HA -0.049 nan 4.420 nan 0.000 0.218 490 P C 0.707 177.937 177.300 -0.117 0.000 1.148 490 P CA 1.120 64.172 63.100 -0.080 0.000 0.822 490 P CB 0.000 31.655 31.700 -0.076 0.000 0.784 491 E N -1.772 118.309 120.200 -0.199 0.000 2.358 491 E HA -0.028 4.322 4.350 0.000 0.000 0.195 491 E C 0.692 177.209 176.600 -0.138 0.000 1.010 491 E CA 0.646 56.861 56.400 -0.309 0.000 0.856 491 E CB -0.354 28.824 29.700 -0.871 0.000 0.795 491 E HN 0.101 nan 8.360 nan 0.000 0.504 492 N N -0.393 118.286 118.700 -0.036 0.000 2.639 492 N HA 0.083 4.823 4.740 0.000 0.000 0.265 492 N C 0.189 175.717 175.510 0.030 0.000 1.689 492 N CA -0.029 53.048 53.050 0.045 0.000 0.813 492 N CB 0.005 38.562 38.487 0.118 0.000 1.353 492 N HN -0.088 nan 8.380 nan 0.000 0.510 493 M N 0.422 120.013 119.600 -0.015 0.000 2.088 493 M HA -0.120 4.360 4.480 0.000 0.000 0.256 493 M C 0.226 176.351 176.300 -0.292 0.000 1.071 493 M CA 2.092 57.284 55.300 -0.181 0.000 1.097 493 M CB -0.397 32.045 32.600 -0.264 0.000 1.315 493 M HN 0.395 nan 8.290 nan 0.000 0.406 494 Y N -0.582 119.731 120.300 0.022 0.000 2.493 494 Y HA 0.448 4.998 4.550 0.000 0.000 0.275 494 Y C 1.467 177.393 175.900 0.043 0.000 1.183 494 Y CA 0.031 58.148 58.100 0.029 0.000 1.258 494 Y CB -0.545 37.929 38.460 0.024 0.000 1.108 494 Y HN 0.461 nan 8.280 nan 0.000 0.521 495 G N 1.582 110.471 108.800 0.149 0.000 2.258 495 G HA2 -0.398 3.562 3.960 0.000 0.000 0.274 495 G HA3 -0.398 3.562 3.960 0.000 0.000 0.274 495 G C 0.952 175.946 174.900 0.156 0.000 1.021 495 G CA 0.836 46.016 45.100 0.133 0.000 0.798 495 G HN 0.596 nan 8.290 nan 0.000 0.507 496 N N -0.222 118.583 118.700 0.175 0.000 2.299 496 N HA 0.367 5.107 4.740 0.000 0.000 0.187 496 N C 1.046 176.685 175.510 0.215 0.000 1.099 496 N CA 0.663 53.824 53.050 0.186 0.000 0.867 496 N CB 0.028 38.605 38.487 0.149 0.000 0.974 496 N HN 0.944 nan 8.380 nan 0.000 0.477 497 A N 1.035 123.957 122.820 0.169 0.000 2.520 497 A HA 0.423 4.743 4.320 0.000 0.000 0.245 497 A C -0.450 177.300 177.584 0.278 0.000 1.072 497 A CA -0.202 51.916 52.037 0.135 0.000 0.761 497 A CB -0.597 18.467 19.000 0.108 0.000 1.004 497 A HN 0.477 nan 8.150 nan 0.000 0.499 498 F N 1.028 121.070 119.950 0.154 0.000 2.654 498 F HA 0.763 5.290 4.527 0.000 0.000 0.308 498 F C -1.038 174.904 175.800 0.237 0.000 1.108 498 F CA -1.514 56.595 58.000 0.182 0.000 0.957 498 F CB 0.857 39.896 39.000 0.066 0.000 1.309 498 F HN 0.757 nan 8.300 nan 0.000 0.446 499 Y N -0.447 120.022 120.300 0.282 0.000 2.829 499 Y HA 0.797 5.347 4.550 0.000 0.000 0.322 499 Y C -1.415 174.595 175.900 0.183 0.000 1.357 499 Y CA -1.852 56.334 58.100 0.145 0.000 1.081 499 Y CB 0.914 39.406 38.460 0.053 0.000 1.339 499 Y HN 0.803 nan 8.280 nan 0.000 0.469 500 S N 0.593 116.314 115.700 0.034 0.000 2.438 500 S HA 0.307 4.777 4.470 0.000 0.000 0.316 500 S C -1.046 173.537 174.600 -0.029 0.000 1.084 500 S CA -0.567 57.586 58.200 -0.078 0.000 1.107 500 S CB 0.248 63.462 63.200 0.023 0.000 0.981 500 S HN 0.694 nan 8.310 nan 0.000 0.466 501 E N 3.911 124.010 120.200 -0.168 0.000 2.130 501 E HA 0.225 4.575 4.350 0.000 0.000 0.284 501 E C -0.546 176.050 176.600 -0.008 0.000 1.018 501 E CA -0.417 55.995 56.400 0.020 0.000 0.817 501 E CB 0.538 30.236 29.700 -0.003 0.000 1.078 501 E HN 0.522 nan 8.360 nan 0.000 0.396 502 K N 3.488 123.896 120.400 0.013 0.000 2.240 502 K HA 0.230 4.550 4.320 0.000 0.000 0.271 502 K C -1.207 175.383 176.600 -0.017 0.000 1.018 502 K CA -0.377 55.885 56.287 -0.042 0.000 0.874 502 K CB 1.177 33.621 32.500 -0.094 0.000 1.098 502 K HN 0.352 nan 8.250 nan 0.000 0.458 503 T N 3.496 118.035 114.554 -0.025 0.000 2.874 503 T HA 0.144 4.494 4.350 0.000 0.000 0.321 503 T C -0.549 174.119 174.700 -0.052 0.000 1.075 503 T CA -0.440 61.678 62.100 0.029 0.000 0.966 503 T CB 1.040 69.979 68.868 0.118 0.000 1.001 503 T HN 0.493 nan 8.240 nan 0.000 0.476 504 T N 4.476 119.041 114.554 0.018 0.000 2.851 504 T HA 0.301 4.651 4.350 0.000 0.000 0.298 504 T C 0.093 174.886 174.700 0.155 0.000 0.977 504 T CA -0.247 61.880 62.100 0.046 0.000 1.126 504 T CB -0.095 68.894 68.868 0.203 0.000 0.916 504 T HN 0.255 nan 8.240 nan 0.000 0.529 505 F N 3.009 123.089 119.950 0.217 0.000 2.472 505 F HA 0.313 4.840 4.527 -0.000 0.000 0.364 505 F C 1.444 177.317 175.800 0.122 0.000 1.090 505 F CA -1.094 57.000 58.000 0.157 0.000 1.188 505 F CB 0.438 39.533 39.000 0.158 0.000 1.105 505 F HN 0.554 nan 8.300 nan 0.000 0.536 506 K N 0.668 121.238 120.400 0.284 0.000 2.141 506 K HA 0.058 4.378 4.320 0.000 0.000 0.202 506 K C 0.767 177.451 176.600 0.140 0.000 1.045 506 K CA 1.040 57.432 56.287 0.176 0.000 0.971 506 K CB 0.125 32.706 32.500 0.136 0.000 0.795 506 K HN 0.719 nan 8.250 nan 0.000 0.459 507 T N -2.590 112.036 114.554 0.121 0.000 2.942 507 T HA 0.241 4.591 4.350 0.000 0.000 0.289 507 T C 1.326 176.053 174.700 0.045 0.000 1.044 507 T CA -0.935 61.210 62.100 0.075 0.000 1.023 507 T CB 1.746 70.645 68.868 0.051 0.000 1.123 507 T HN -0.208 nan 8.240 nan 0.000 0.512 508 V N 1.315 121.242 119.914 0.022 0.000 2.278 508 V HA -0.217 3.903 4.120 0.000 0.000 0.251 508 V C 2.864 178.901 176.094 -0.095 0.000 1.062 508 V CA 2.473 64.759 62.300 -0.022 0.000 1.038 508 V CB -0.942 30.879 31.823 -0.004 0.000 0.646 508 V HN 1.046 nan 8.190 nan 0.000 0.447 509 K N -0.139 120.220 120.400 -0.067 0.000 2.113 509 K HA -0.261 4.059 4.320 0.000 0.000 0.208 509 K C 1.793 178.310 176.600 -0.138 0.000 1.047 509 K CA 2.015 58.245 56.287 -0.095 0.000 0.928 509 K CB -0.277 32.198 32.500 -0.042 0.000 0.716 509 K HN 0.535 nan 8.250 nan 0.000 0.446 510 D N -0.060 120.279 120.400 -0.101 0.000 2.218 510 D HA -0.125 4.515 4.640 0.000 0.000 0.204 510 D C 1.918 177.905 176.300 -0.521 0.000 0.976 510 D CA 1.511 55.448 54.000 -0.105 0.000 0.853 510 D CB -0.061 40.810 40.800 0.118 0.000 0.939 510 D HN 0.373 nan 8.370 nan 0.000 0.481 511 S N 0.220 115.447 115.700 -0.789 0.000 2.461 511 S HA -0.033 4.437 4.470 0.000 0.000 0.228 511 S C 1.305 175.447 174.600 -0.765 0.000 1.005 511 S CA -0.110 57.209 58.200 -1.469 0.000 0.942 511 S CB -0.502 62.215 63.200 -0.805 0.000 0.776 511 S HN 0.169 nan 8.310 nan 0.000 0.514 512 L N 3.843 124.765 121.223 -0.502 0.000 2.574 512 L HA 0.226 4.566 4.340 0.000 0.000 0.281 512 L C 0.315 177.066 176.870 -0.197 0.000 1.212 512 L CA -0.153 54.371 54.840 -0.526 0.000 1.082 512 L CB -1.130 40.435 42.059 -0.824 0.000 1.362 512 L HN 0.415 nan 8.230 nan 0.000 0.451 513 T N -1.158 113.425 114.554 0.048 0.000 2.906 513 T HA 0.546 4.896 4.350 0.000 0.000 0.295 513 T C -0.330 174.658 174.700 0.481 0.000 1.075 513 T CA -1.103 61.191 62.100 0.324 0.000 1.005 513 T CB 2.475 71.634 68.868 0.484 0.000 1.136 513 T HN 0.202 nan 8.240 nan 0.000 0.498 514 N N -0.040 118.945 118.700 0.476 0.000 2.402 514 N HA 0.357 5.097 4.740 0.000 0.000 0.294 514 N C -1.313 174.558 175.510 0.602 0.000 1.203 514 N CA -0.653 52.690 53.050 0.489 0.000 0.838 514 N CB 1.289 39.946 38.487 0.283 0.000 1.306 514 N HN 0.767 nan 8.380 nan 0.000 0.510 515 Y N 0.961 121.607 120.300 0.577 0.000 2.497 515 Y HA 0.060 4.610 4.550 0.000 0.000 0.334 515 Y C -0.277 175.748 175.900 0.208 0.000 1.199 515 Y CA 0.467 58.844 58.100 0.462 0.000 1.425 515 Y CB 0.532 39.281 38.460 0.482 0.000 1.291 515 Y HN 0.292 nan 8.280 nan 0.000 0.562 516 E N 3.525 123.188 120.200 -0.896 0.000 2.244 516 E HA 0.138 4.488 4.350 0.000 0.000 0.260 516 E C 0.396 176.483 176.600 -0.855 0.000 0.884 516 E CA -0.005 56.019 56.400 -0.628 0.000 0.777 516 E CB 1.644 31.160 29.700 -0.306 0.000 1.197 516 E HN 0.789 nan 8.360 nan 0.000 0.416 517 S N 1.684 117.056 115.700 -0.548 0.000 2.402 517 S HA -0.140 4.330 4.470 0.000 0.000 0.229 517 S C 1.861 176.362 174.600 -0.165 0.000 1.021 517 S CA 0.897 58.947 58.200 -0.250 0.000 0.974 517 S CB -0.072 63.124 63.200 -0.007 0.000 0.800 517 S HN 0.467 nan 8.310 nan 0.000 0.484 518 A N 1.853 124.579 122.820 -0.157 0.000 2.076 518 A HA -0.021 4.299 4.320 0.000 0.000 0.220 518 A C 2.266 179.771 177.584 -0.132 0.000 1.160 518 A CA 1.844 53.813 52.037 -0.113 0.000 0.653 518 A CB -0.987 17.959 19.000 -0.089 0.000 0.801 518 A HN 0.812 nan 8.150 nan 0.000 0.455 519 T N -5.587 108.860 114.554 -0.178 0.000 3.091 519 T HA 0.435 4.785 4.350 0.000 0.000 0.277 519 T C 1.071 175.670 174.700 -0.169 0.000 0.996 519 T CA 0.896 62.892 62.100 -0.172 0.000 0.897 519 T CB -0.034 68.729 68.868 -0.175 0.000 1.109 519 T HN 1.640 nan 8.240 nan 0.000 0.534 520 G N 2.809 111.515 108.800 -0.156 0.000 2.356 520 G HA2 -0.347 3.613 3.960 0.000 0.000 0.296 520 G HA3 -0.347 3.613 3.960 0.000 0.000 0.296 520 G C 0.037 174.918 174.900 -0.031 0.000 1.022 520 G CA 0.333 45.414 45.100 -0.032 0.000 0.961 520 G HN 0.934 nan 8.290 nan 0.000 0.510 521 R N 0.022 120.410 120.500 -0.188 0.000 2.583 521 R HA 0.366 4.706 4.340 0.000 0.000 0.274 521 R C 0.821 176.991 176.300 -0.217 0.000 0.998 521 R CA 0.896 56.825 56.100 -0.284 0.000 1.081 521 R CB 0.241 30.240 30.300 -0.503 0.000 0.940 521 R HN 0.675 nan 8.270 nan 0.000 0.413 522 S N 3.602 119.090 115.700 -0.354 0.000 2.697 522 S HA 0.609 5.079 4.470 0.000 0.000 0.289 522 S C -1.229 173.200 174.600 -0.285 0.000 1.149 522 S CA -1.035 57.061 58.200 -0.173 0.000 0.850 522 S CB 1.440 64.646 63.200 0.011 0.000 1.151 522 S HN 0.631 nan 8.310 nan 0.000 0.491 523 W N 0.508 121.906 121.300 0.163 0.000 2.819 523 W HA 0.449 5.109 4.660 -0.000 0.000 0.337 523 W C -1.366 175.237 176.519 0.140 0.000 1.077 523 W CA -0.430 57.042 57.345 0.211 0.000 1.226 523 W CB 2.156 31.869 29.460 0.421 0.000 1.419 523 W HN 0.632 nan 8.180 nan 0.000 0.502 524 D N 1.981 122.597 120.400 0.362 0.000 2.248 524 D HA 0.538 5.178 4.640 0.000 0.000 0.246 524 D C -0.489 176.055 176.300 0.407 0.000 1.027 524 D CA -0.376 53.804 54.000 0.300 0.000 0.853 524 D CB 2.251 43.167 40.800 0.195 0.000 1.243 524 D HN 0.094 nan 8.370 nan 0.000 0.462 525 I N 3.077 123.848 120.570 0.335 0.000 2.411 525 I HA 0.350 4.520 4.170 0.000 0.000 0.284 525 I C -0.757 175.579 176.117 0.365 0.000 1.012 525 I CA -0.872 60.594 61.300 0.276 0.000 1.119 525 I CB 0.418 38.486 38.000 0.113 0.000 1.261 525 I HN 0.220 nan 8.210 nan 0.000 0.448 526 F N 3.504 123.532 119.950 0.130 0.000 2.664 526 F HA 0.537 5.064 4.527 -0.000 0.000 0.329 526 F C -0.720 175.139 175.800 0.098 0.000 1.090 526 F CA -1.515 56.556 58.000 0.118 0.000 0.978 526 F CB 1.312 40.364 39.000 0.087 0.000 1.378 526 F HN 0.254 nan 8.300 nan 0.000 0.495 527 N N 2.171 121.001 118.700 0.217 0.000 2.621 527 N HA 0.361 5.101 4.740 0.000 0.000 0.237 527 N C -2.049 173.560 175.510 0.166 0.000 0.997 527 N CA -2.160 50.937 53.050 0.078 0.000 0.918 527 N CB 1.263 39.798 38.487 0.080 0.000 1.122 527 N HN 0.394 nan 8.380 nan 0.000 0.510 528 P HA -0.077 nan 4.420 nan 0.000 0.234 528 P C -0.115 177.246 177.300 0.103 0.000 1.167 528 P CA 0.825 64.049 63.100 0.206 0.000 0.763 528 P CB 0.309 32.101 31.700 0.152 0.000 0.835 529 N N -0.118 118.615 118.700 0.055 0.000 2.412 529 N HA 0.050 4.790 4.740 0.000 0.000 0.184 529 N C 0.611 176.132 175.510 0.019 0.000 1.101 529 N CA 0.561 53.628 53.050 0.028 0.000 0.881 529 N CB 0.464 38.956 38.487 0.009 0.000 0.969 529 N HN 0.368 nan 8.380 nan 0.000 0.459 530 K N 0.303 120.720 120.400 0.027 0.000 2.400 530 K HA 0.645 4.965 4.320 0.000 0.000 0.246 530 K C -0.933 175.668 176.600 0.001 0.000 0.995 530 K CA -0.735 55.550 56.287 -0.003 0.000 0.840 530 K CB 2.986 35.466 32.500 -0.034 0.000 1.293 530 K HN -0.320 nan 8.250 nan 0.000 0.445 531 V N 0.888 120.785 119.914 -0.027 0.000 2.841 531 V HA 0.227 4.347 4.120 0.000 0.000 0.310 531 V C -0.698 175.365 176.094 -0.052 0.000 1.090 531 V CA -1.171 61.111 62.300 -0.030 0.000 0.930 531 V CB 1.920 33.729 31.823 -0.022 0.000 1.014 531 V HN 0.760 nan 8.190 nan 0.000 0.425 532 N N 5.484 124.160 118.700 -0.039 0.000 2.442 532 N HA 0.183 4.923 4.740 0.000 0.000 0.265 532 N C -1.387 174.102 175.510 -0.036 0.000 1.138 532 N CA -1.413 51.611 53.050 -0.043 0.000 0.956 532 N CB 2.094 40.607 38.487 0.044 0.000 1.067 532 N HN 0.409 nan 8.380 nan 0.000 0.474 533 P HA -0.149 nan 4.420 nan 0.000 0.221 533 P C 0.491 177.844 177.300 0.090 0.000 1.145 533 P CA 1.326 64.384 63.100 -0.071 0.000 0.795 533 P CB 0.183 31.771 31.700 -0.187 0.000 0.775 534 Y N 0.991 121.299 120.300 0.013 0.000 2.239 534 Y HA -0.009 4.541 4.550 -0.000 0.000 0.293 534 Y C 2.974 178.890 175.900 0.026 0.000 1.126 534 Y CA 0.953 59.064 58.100 0.017 0.000 1.128 534 Y CB -1.423 37.051 38.460 0.022 0.000 1.066 534 Y HN 0.055 nan 8.280 nan 0.000 0.516 535 S N -0.909 114.935 115.700 0.240 0.000 2.461 535 S HA 0.141 4.611 4.470 0.000 0.000 0.228 535 S C 1.903 176.534 174.600 0.052 0.000 1.005 535 S CA 0.797 59.096 58.200 0.164 0.000 0.942 535 S CB -0.511 62.876 63.200 0.311 0.000 0.776 535 S HN 0.672 nan 8.310 nan 0.000 0.514 536 G N 0.984 109.804 108.800 0.033 0.000 2.148 536 G HA2 -0.209 3.751 3.960 0.000 0.000 0.254 536 G HA3 -0.209 3.751 3.960 0.000 0.000 0.254 536 G C -0.063 174.790 174.900 -0.078 0.000 0.981 536 G CA 0.394 45.484 45.100 -0.016 0.000 0.670 536 G HN 0.527 nan 8.290 nan 0.000 0.528 537 K N 0.730 121.042 120.400 -0.146 0.000 2.118 537 K HA 0.550 4.870 4.320 0.000 0.000 0.254 537 K C -2.333 174.171 176.600 -0.160 0.000 0.961 537 K CA -2.240 53.880 56.287 -0.278 0.000 0.876 537 K CB 1.888 33.945 32.500 -0.739 0.000 1.077 537 K HN 0.123 nan 8.250 nan 0.000 0.440 538 P HA 0.131 nan 4.420 nan 0.000 0.272 538 P C -2.490 174.853 177.300 0.071 0.000 1.223 538 P CA -1.254 61.858 63.100 0.020 0.000 0.784 538 P CB -0.196 31.596 31.700 0.153 0.000 0.923 539 P HA 0.053 nan 4.420 nan 0.000 0.271 539 P C -0.279 177.204 177.300 0.305 0.000 1.216 539 P CA 0.384 63.567 63.100 0.138 0.000 0.776 539 P CB 0.603 32.265 31.700 -0.065 0.000 0.881 540 S N 1.653 117.569 115.700 0.361 0.000 2.611 540 S HA 0.549 5.019 4.470 0.000 0.000 0.268 540 S C -1.865 172.871 174.600 0.226 0.000 1.156 540 S CA -0.691 57.720 58.200 0.351 0.000 0.817 540 S CB 0.961 64.337 63.200 0.294 0.000 1.122 540 S HN 0.279 nan 8.310 nan 0.000 0.466 541 Y N 0.969 121.315 120.300 0.078 0.000 2.350 541 Y HA 0.614 5.164 4.550 -0.000 0.000 0.338 541 Y C 0.061 176.000 175.900 0.065 0.000 0.961 541 Y CA -0.519 57.584 58.100 0.006 0.000 1.100 541 Y CB 1.964 40.399 38.460 -0.043 0.000 1.179 541 Y HN 0.859 nan 8.280 nan 0.000 0.454 542 K N 4.374 124.808 120.400 0.058 0.000 2.213 542 K HA 0.463 4.783 4.320 0.000 0.000 0.270 542 K C -1.391 175.260 176.600 0.085 0.000 1.002 542 K CA -0.898 55.442 56.287 0.089 0.000 0.868 542 K CB 0.874 33.404 32.500 0.051 0.000 1.093 542 K HN 0.630 nan 8.250 nan 0.000 0.454 543 L N 5.741 127.032 121.223 0.112 0.000 2.315 543 L HA 0.252 4.592 4.340 0.000 0.000 0.283 543 L C -1.347 175.614 176.870 0.153 0.000 1.089 543 L CA -0.007 54.874 54.840 0.068 0.000 0.833 543 L CB 1.144 43.204 42.059 0.001 0.000 1.170 543 L HN 0.366 nan 8.230 nan 0.000 0.442 544 V N 5.024 124.978 119.914 0.067 0.000 2.313 544 V HA 0.573 4.693 4.120 0.000 0.000 0.278 544 V C -0.088 176.023 176.094 0.028 0.000 1.017 544 V CA -0.240 62.101 62.300 0.068 0.000 0.823 544 V CB 0.948 32.787 31.823 0.027 0.000 1.010 544 V HN 0.850 nan 8.190 nan 0.000 0.443 545 S N 2.846 118.590 115.700 0.073 0.000 2.668 545 S HA 0.469 4.939 4.470 0.000 0.000 0.277 545 S C 0.551 175.078 174.600 -0.121 0.000 1.170 545 S CA 0.209 58.433 58.200 0.040 0.000 0.994 545 S CB 1.833 65.130 63.200 0.162 0.000 1.051 545 S HN 0.906 nan 8.310 nan 0.000 0.484 546 T N 1.437 115.849 114.554 -0.235 0.000 2.985 546 T HA 0.282 4.632 4.350 0.000 0.000 0.254 546 T C 0.381 174.953 174.700 -0.212 0.000 1.021 546 T CA -0.045 61.719 62.100 -0.560 0.000 0.957 546 T CB -0.120 68.519 68.868 -0.381 0.000 1.047 546 T HN 0.589 nan 8.240 nan 0.000 0.511 547 Q N 1.195 120.991 119.800 -0.007 0.000 3.027 547 Q HA 0.352 4.692 4.340 0.000 0.000 0.260 547 Q C -0.919 175.197 176.000 0.193 0.000 1.379 547 Q CA -0.503 55.362 55.803 0.103 0.000 1.038 547 Q CB -0.296 28.522 28.738 0.134 0.000 1.578 547 Q HN 0.466 nan 8.270 nan 0.000 0.571 548 C N 2.742 122.151 119.300 0.182 0.000 2.621 548 C HA 0.375 4.835 4.460 0.000 0.000 0.272 548 C C -2.099 173.026 174.990 0.225 0.000 1.119 548 C CA -1.930 57.236 59.018 0.247 0.000 1.593 548 C CB -0.565 27.401 27.740 0.376 0.000 1.749 548 C HN 0.536 nan 8.230 nan 0.000 0.420 549 P HA 0.291 nan 4.420 nan 0.000 0.275 549 P C -2.222 175.133 177.300 0.091 0.000 1.228 549 P CA -0.720 62.451 63.100 0.118 0.000 0.786 549 P CB 0.168 31.911 31.700 0.072 0.000 0.927 550 P HA 0.156 nan 4.420 nan 0.000 0.276 550 P C -0.811 176.477 177.300 -0.020 0.000 1.244 550 P CA -0.468 62.651 63.100 0.032 0.000 0.801 550 P CB 0.645 32.367 31.700 0.036 0.000 1.006 551 L N 2.652 123.830 121.223 -0.074 0.000 2.369 551 L HA 0.069 4.409 4.340 0.000 0.000 0.279 551 L C 1.177 177.991 176.870 -0.093 0.000 1.108 551 L CA 0.315 55.084 54.840 -0.118 0.000 0.852 551 L CB -0.550 41.398 42.059 -0.185 0.000 1.169 551 L HN 0.318 nan 8.230 nan 0.000 0.452 552 L N 4.784 125.960 121.223 -0.078 0.000 2.240 552 L HA 0.113 4.453 4.340 0.000 0.000 0.211 552 L C 1.403 178.230 176.870 -0.073 0.000 1.106 552 L CA 0.450 55.260 54.840 -0.050 0.000 0.793 552 L CB -0.500 41.546 42.059 -0.021 0.000 0.927 552 L HN 0.827 nan 8.230 nan 0.000 0.446 553 A N 0.754 123.507 122.820 -0.112 0.000 2.498 553 A HA 0.155 4.475 4.320 0.000 0.000 0.239 553 A C 0.266 177.773 177.584 -0.129 0.000 1.068 553 A CA -0.092 51.866 52.037 -0.132 0.000 0.766 553 A CB 0.069 18.965 19.000 -0.173 0.000 1.003 553 A HN 0.156 nan 8.150 nan 0.000 0.497 554 K N 1.201 121.530 120.400 -0.118 0.000 2.180 554 K HA 0.159 4.479 4.320 0.000 0.000 0.251 554 K C 0.074 176.599 176.600 -0.124 0.000 1.014 554 K CA 0.018 56.242 56.287 -0.105 0.000 0.913 554 K CB 0.426 32.874 32.500 -0.087 0.000 1.008 554 K HN 0.778 nan 8.250 nan 0.000 0.490 555 E N 0.035 120.170 120.200 -0.109 0.000 2.414 555 E HA -0.001 4.349 4.350 0.000 0.000 0.263 555 E C 0.776 177.306 176.600 -0.116 0.000 1.000 555 E CA 0.757 57.089 56.400 -0.114 0.000 0.914 555 E CB 0.402 30.049 29.700 -0.089 0.000 0.948 555 E HN 0.815 nan 8.360 nan 0.000 0.444 556 G N 2.564 111.283 108.800 -0.136 0.000 2.199 556 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 556 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 556 G C 0.413 175.216 174.900 -0.162 0.000 0.982 556 G CA 0.371 45.387 45.100 -0.139 0.000 0.632 556 G HN 0.684 nan 8.290 nan 0.000 0.529 557 S N -0.193 115.402 115.700 -0.174 0.000 2.600 557 S HA 0.617 5.087 4.470 0.000 0.000 0.265 557 S C 1.608 176.057 174.600 -0.252 0.000 1.325 557 S CA -0.023 58.061 58.200 -0.192 0.000 1.002 557 S CB 1.550 64.636 63.200 -0.191 0.000 0.921 557 S HN 0.483 nan 8.310 nan 0.000 0.554 558 L N 1.266 122.328 121.223 -0.268 0.000 2.012 558 L HA -0.115 4.225 4.340 0.000 0.000 0.210 558 L C 2.551 179.157 176.870 -0.440 0.000 1.073 558 L CA 1.423 56.059 54.840 -0.340 0.000 0.748 558 L CB -0.589 41.293 42.059 -0.295 0.000 0.891 558 L HN 0.705 nan 8.230 nan 0.000 0.431 559 V N -0.107 119.523 119.914 -0.474 0.000 2.255 559 V HA -0.330 3.790 4.120 0.000 0.000 0.247 559 V C 2.693 178.577 176.094 -0.350 0.000 1.051 559 V CA 1.932 63.969 62.300 -0.438 0.000 1.018 559 V CB -0.882 30.734 31.823 -0.345 0.000 0.641 559 V HN 0.561 nan 8.190 nan 0.000 0.445 560 A N -0.625 122.007 122.820 -0.313 0.000 1.969 560 A HA -0.193 4.127 4.320 0.000 0.000 0.218 560 A C 2.272 179.674 177.584 -0.303 0.000 1.169 560 A CA 1.677 53.536 52.037 -0.298 0.000 0.635 560 A CB -0.348 18.509 19.000 -0.239 0.000 0.810 560 A HN 0.566 nan 8.150 nan 0.000 0.445 561 K N -0.631 119.571 120.400 -0.331 0.000 2.116 561 K HA -0.023 4.297 4.320 0.000 0.000 0.203 561 K C 2.015 178.321 176.600 -0.489 0.000 1.052 561 K CA 1.040 57.096 56.287 -0.384 0.000 0.952 561 K CB -0.109 32.127 32.500 -0.440 0.000 0.729 561 K HN 0.386 nan 8.250 nan 0.000 0.446 562 R N 0.276 120.501 120.500 -0.459 0.000 2.240 562 R HA 0.079 4.419 4.340 0.000 0.000 0.203 562 R C 0.617 176.899 176.300 -0.031 0.000 1.011 562 R CA 0.501 56.400 56.100 -0.335 0.000 1.007 562 R CB 0.349 30.544 30.300 -0.175 0.000 0.911 562 R HN -0.006 nan 8.270 nan 0.000 0.468 563 A N 1.553 124.231 122.820 -0.237 0.000 3.248 563 A HA 0.281 4.601 4.320 0.000 0.000 0.315 563 A C -1.973 175.206 177.584 -0.676 0.000 0.974 563 A CA -1.191 50.531 52.037 -0.525 0.000 0.939 563 A CB 0.516 19.043 19.000 -0.789 0.000 1.061 563 A HN -0.070 nan 8.150 nan 0.000 0.481 564 P HA -0.178 nan 4.420 nan 0.000 0.221 564 P C 1.337 178.545 177.300 -0.154 0.000 1.145 564 P CA 1.132 64.117 63.100 -0.192 0.000 0.795 564 P CB -0.203 31.459 31.700 -0.063 0.000 0.775 565 W N 0.034 121.292 121.300 -0.070 0.000 2.467 565 W HA 0.257 4.917 4.660 -0.000 0.000 0.275 565 W C 1.564 178.087 176.519 0.008 0.000 1.239 565 W CA 0.569 57.888 57.345 -0.044 0.000 1.266 565 W CB -1.663 27.753 29.460 -0.073 0.000 1.112 565 W HN -0.085 nan 8.180 nan 0.000 0.576 566 A N 1.150 123.544 122.820 -0.710 0.000 2.168 566 A HA -0.028 4.292 4.320 0.000 0.000 0.215 566 A C 2.045 179.469 177.584 -0.268 0.000 1.152 566 A CA 1.384 53.072 52.037 -0.581 0.000 0.716 566 A CB -0.733 17.622 19.000 -1.074 0.000 0.794 566 A HN 0.218 nan 8.150 nan 0.000 0.465 567 S N -0.640 114.920 115.700 -0.234 0.000 2.481 567 S HA 0.016 4.486 4.470 0.000 0.000 0.231 567 S C 0.124 174.465 174.600 -0.431 0.000 0.996 567 S CA 0.617 58.643 58.200 -0.291 0.000 0.942 567 S CB -0.238 62.795 63.200 -0.279 0.000 0.768 567 S HN 0.789 nan 8.310 nan 0.000 0.520 568 H N -1.374 117.700 119.070 0.006 0.000 2.851 568 H HA 0.408 4.964 4.556 0.000 0.000 0.372 568 H C 0.632 176.017 175.328 0.095 0.000 1.158 568 H CA -0.540 55.542 56.048 0.056 0.000 1.159 568 H CB 1.398 31.179 29.762 0.032 0.000 1.757 568 H HN -0.138 nan 8.280 nan 0.000 0.546 569 S N 0.616 116.471 115.700 0.258 0.000 2.402 569 S HA 0.007 4.477 4.470 0.000 0.000 0.229 569 S C 0.474 175.143 174.600 0.114 0.000 1.021 569 S CA 0.679 59.009 58.200 0.216 0.000 0.974 569 S CB 0.277 63.707 63.200 0.384 0.000 0.800 569 S HN 0.258 nan 8.310 nan 0.000 0.484 570 V N 2.564 122.486 119.914 0.014 0.000 2.638 570 V HA 0.429 4.549 4.120 0.000 0.000 0.306 570 V C -1.056 174.918 176.094 -0.200 0.000 1.052 570 V CA -0.947 61.197 62.300 -0.259 0.000 0.885 570 V CB 2.040 33.450 31.823 -0.689 0.000 0.999 570 V HN 0.245 nan 8.190 nan 0.000 0.424 571 N N 3.160 121.733 118.700 -0.212 0.000 2.410 571 N HA 0.570 5.310 4.740 0.000 0.000 0.287 571 N C -1.454 173.986 175.510 -0.116 0.000 1.044 571 N CA -0.299 52.680 53.050 -0.119 0.000 0.881 571 N CB 2.746 41.262 38.487 0.049 0.000 1.405 571 N HN 0.346 nan 8.380 nan 0.000 0.490 572 V N 2.175 122.015 119.914 -0.123 0.000 2.444 572 V HA 0.503 4.623 4.120 0.000 0.000 0.294 572 V C 0.224 176.364 176.094 0.076 0.000 1.022 572 V CA -0.764 61.537 62.300 0.002 0.000 0.850 572 V CB 1.612 33.463 31.823 0.046 0.000 0.992 572 V HN 0.477 nan 8.190 nan 0.000 0.426 573 V N 3.362 123.364 119.914 0.146 0.000 3.074 573 V HA 0.797 4.917 4.120 0.000 0.000 0.314 573 V C -2.922 173.226 176.094 0.091 0.000 1.117 573 V CA -3.078 59.291 62.300 0.115 0.000 1.014 573 V CB 2.195 34.108 31.823 0.149 0.000 1.057 573 V HN 0.609 nan 8.190 nan 0.000 0.438 574 P HA 0.193 nan 4.420 nan 0.000 0.269 574 P C -1.234 176.063 177.300 -0.004 0.000 1.209 574 P CA 0.184 63.312 63.100 0.046 0.000 0.776 574 P CB 0.068 31.785 31.700 0.028 0.000 0.876 575 Y N 3.067 123.335 120.300 -0.053 0.000 2.397 575 Y HA 0.351 4.901 4.550 -0.000 0.000 0.335 575 Y C 0.063 175.891 175.900 -0.120 0.000 1.213 575 Y CA 0.630 58.672 58.100 -0.097 0.000 1.391 575 Y CB 0.590 39.007 38.460 -0.072 0.000 1.293 575 Y HN 0.224 nan 8.280 nan 0.000 0.557 576 K N 3.704 123.394 120.400 -1.184 0.000 2.546 576 K HA 0.250 4.570 4.320 0.000 0.000 0.264 576 K C -1.726 174.213 176.600 -1.103 0.000 0.937 576 K CA -0.706 55.116 56.287 -0.775 0.000 0.833 576 K CB 1.284 33.500 32.500 -0.474 0.000 1.378 576 K HN 0.615 nan 8.250 nan 0.000 0.432 577 D N 2.277 122.370 120.400 -0.512 0.000 2.399 577 D HA 0.073 4.713 4.640 0.000 0.000 0.241 577 D C -0.018 176.090 176.300 -0.321 0.000 1.133 577 D CA 0.701 54.525 54.000 -0.293 0.000 0.890 577 D CB 0.458 41.231 40.800 -0.045 0.000 1.201 577 D HN 0.563 nan 8.370 nan 0.000 0.432 578 N N 1.127 119.665 118.700 -0.270 0.000 2.776 578 N HA -0.225 4.515 4.740 0.000 0.000 0.250 578 N C -0.393 174.911 175.510 -0.344 0.000 1.112 578 N CA 0.490 53.378 53.050 -0.270 0.000 0.733 578 N CB -0.880 37.489 38.487 -0.197 0.000 1.097 578 N HN 0.456 nan 8.380 nan 0.000 0.558 579 R N 0.834 121.022 120.500 -0.520 0.000 3.171 579 R HA 0.333 4.673 4.340 0.000 0.000 0.241 579 R C 1.271 177.212 176.300 -0.598 0.000 1.421 579 R CA -0.144 55.492 56.100 -0.774 0.000 1.444 579 R CB 0.272 29.811 30.300 -1.269 0.000 1.247 579 R HN 0.221 nan 8.270 nan 0.000 0.636 580 L N 0.580 121.549 121.223 -0.424 0.000 2.347 580 L HA 0.180 4.520 4.340 0.000 0.000 0.196 580 L C -0.094 176.579 176.870 -0.328 0.000 1.072 580 L CA 0.470 54.969 54.840 -0.569 0.000 0.817 580 L CB 0.103 41.413 42.059 -1.249 0.000 1.029 580 L HN 0.322 nan 8.230 nan 0.000 0.478 581 Y N 1.330 121.772 120.300 0.237 0.000 2.434 581 Y HA 0.245 4.795 4.550 0.000 0.000 0.341 581 Y C -1.521 174.418 175.900 0.064 0.000 0.965 581 Y CA -3.416 54.758 58.100 0.123 0.000 1.205 581 Y CB -0.192 38.244 38.460 -0.040 0.000 1.121 581 Y HN -0.026 nan 8.280 nan 0.000 0.507 582 P HA -0.119 nan 4.420 nan 0.000 0.223 582 P C 0.560 177.740 177.300 -0.199 0.000 1.144 582 P CA 1.147 63.985 63.100 -0.437 0.000 0.783 582 P CB 0.520 31.910 31.700 -0.517 0.000 0.771 583 S N -0.983 114.718 115.700 0.001 0.000 2.575 583 S HA 0.485 4.955 4.470 0.000 0.000 0.237 583 S C 0.781 175.289 174.600 -0.152 0.000 0.975 583 S CA 0.271 58.551 58.200 0.134 0.000 0.960 583 S CB 0.007 63.426 63.200 0.365 0.000 0.822 583 S HN 0.528 nan 8.310 nan 0.000 0.472 584 G N 1.383 110.028 108.800 -0.258 0.000 2.663 584 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 584 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 584 G C -0.426 174.375 174.900 -0.166 0.000 1.288 584 G CA -0.404 44.497 45.100 -0.332 0.000 0.836 584 G HN 0.201 nan 8.290 nan 0.000 0.584 585 D N -0.114 120.163 120.400 -0.205 0.000 2.194 585 D HA 0.040 4.680 4.640 0.000 0.000 0.204 585 D C 0.753 176.733 176.300 -0.534 0.000 0.964 585 D CA 1.353 55.173 54.000 -0.300 0.000 0.846 585 D CB 0.012 40.578 40.800 -0.390 0.000 0.962 585 D HN 0.484 nan 8.370 nan 0.000 0.490 586 H N 0.433 119.470 119.070 -0.055 0.000 2.786 586 H HA 0.243 4.799 4.556 -0.000 0.000 0.284 586 H C 1.027 176.334 175.328 -0.035 0.000 1.104 586 H CA -0.299 55.732 56.048 -0.028 0.000 1.339 586 H CB 1.473 31.230 29.762 -0.007 0.000 1.427 586 H HN -0.208 nan 8.280 nan 0.000 0.497 587 V N 3.641 123.587 119.914 0.053 0.000 2.346 587 V HA -0.040 4.080 4.120 0.000 0.000 0.244 587 V C -1.554 174.640 176.094 0.166 0.000 1.037 587 V CA 0.613 62.975 62.300 0.102 0.000 1.029 587 V CB -1.100 30.749 31.823 0.043 0.000 0.663 587 V HN 0.457 nan 8.190 nan 0.000 0.454 588 P HA -0.010 nan 4.420 nan 0.000 0.261 588 P C 0.336 177.749 177.300 0.189 0.000 1.173 588 P CA 0.931 64.091 63.100 0.100 0.000 0.760 588 P CB -0.004 31.723 31.700 0.046 0.000 0.783 589 Q N -1.702 118.238 119.800 0.233 0.000 2.362 589 Q HA -0.236 4.104 4.340 0.000 0.000 0.220 589 Q C -0.251 176.025 176.000 0.461 0.000 0.713 589 Q CA 0.548 56.556 55.803 0.341 0.000 1.345 589 Q CB -1.734 27.145 28.738 0.235 0.000 1.570 589 Q HN 0.548 nan 8.270 nan 0.000 0.701 590 W N 1.778 123.166 121.300 0.147 0.000 2.253 590 W HA 0.286 4.946 4.660 -0.000 0.000 0.322 590 W C 1.246 177.668 176.519 -0.160 0.000 1.342 590 W CA 0.064 57.430 57.345 0.035 0.000 1.218 590 W CB 0.554 30.015 29.460 0.002 0.000 1.205 590 W HN 0.116 nan 8.180 nan 0.000 0.551 591 S N 3.529 118.809 115.700 -0.700 0.000 2.481 591 S HA 0.106 4.576 4.470 0.000 0.000 0.231 591 S C 1.582 175.371 174.600 -1.352 0.000 0.996 591 S CA 0.853 58.198 58.200 -1.426 0.000 0.942 591 S CB -0.403 62.225 63.200 -0.954 0.000 0.768 591 S HN 1.728 nan 8.310 nan 0.000 0.520 592 G N 0.615 108.111 108.800 -2.174 0.000 2.176 592 G HA2 -0.169 3.791 3.960 0.000 0.000 0.232 592 G HA3 -0.169 3.791 3.960 0.000 0.000 0.232 592 G C -0.462 173.765 174.900 -1.121 0.000 0.986 592 G CA 0.072 43.883 45.100 -2.149 0.000 0.643 592 G HN 0.565 nan 8.290 nan 0.000 0.522 593 D N 1.161 121.153 120.400 -0.681 0.000 2.225 593 D HA 0.558 5.198 4.640 0.000 0.000 0.248 593 D C 0.724 177.157 176.300 0.222 0.000 1.096 593 D CA 1.448 55.352 54.000 -0.159 0.000 0.863 593 D CB 1.338 42.061 40.800 -0.129 0.000 1.156 593 D HN 1.373 nan 8.370 nan 0.000 0.450 594 G N 0.182 109.096 108.800 0.190 0.000 2.428 594 G HA2 -0.081 3.879 3.960 0.000 0.000 0.681 594 G HA3 -0.081 3.879 3.960 0.000 0.000 0.681 594 G C -0.990 174.010 174.900 0.168 0.000 1.340 594 G CA -1.003 44.223 45.100 0.210 0.000 0.915 594 G HN 0.334 nan 8.290 nan 0.000 0.645 595 V N 2.361 122.310 119.914 0.059 0.000 2.299 595 V HA 0.623 4.743 4.120 0.000 0.000 0.255 595 V C 0.814 176.859 176.094 -0.081 0.000 1.100 595 V CA 0.615 62.912 62.300 -0.004 0.000 0.938 595 V CB -0.333 31.485 31.823 -0.009 0.000 1.139 595 V HN 1.024 nan 8.190 nan 0.000 0.490 596 R N 2.762 123.163 120.500 -0.165 0.000 2.781 596 R HA 0.832 5.172 4.340 0.000 0.000 0.269 596 R C 0.466 176.461 176.300 -0.508 0.000 1.025 596 R CA -0.142 55.759 56.100 -0.332 0.000 0.914 596 R CB 1.160 31.173 30.300 -0.478 0.000 1.236 596 R HN 0.766 nan 8.270 nan 0.000 0.465 597 G N 1.170 109.566 108.800 -0.674 0.000 2.594 597 G HA2 -0.435 3.525 3.960 0.000 0.000 0.297 597 G HA3 -0.435 3.525 3.960 0.000 0.000 0.297 597 G C 0.569 174.353 174.900 -1.859 0.000 1.273 597 G CA 0.873 45.284 45.100 -1.148 0.000 0.974 597 G HN 0.777 nan 8.290 nan 0.000 0.552 598 M N 0.446 119.185 119.600 -1.435 0.000 2.144 598 M HA -0.041 4.439 4.480 0.000 0.000 0.260 598 M C 2.420 178.433 176.300 -0.479 0.000 1.067 598 M CA 2.851 57.598 55.300 -0.921 0.000 1.095 598 M CB -0.570 31.802 32.600 -0.379 0.000 1.365 598 M HN 0.629 nan 8.290 nan 0.000 0.406 599 R N -0.433 119.858 120.500 -0.348 0.000 2.096 599 R HA -0.195 4.145 4.340 0.000 0.000 0.235 599 R C 2.239 178.441 176.300 -0.164 0.000 1.127 599 R CA 1.952 57.950 56.100 -0.170 0.000 0.968 599 R CB -0.365 29.893 30.300 -0.070 0.000 0.861 599 R HN 0.686 nan 8.270 nan 0.000 0.440 600 E N -0.489 119.547 120.200 -0.274 0.000 2.072 600 E HA -0.175 4.175 4.350 0.000 0.000 0.190 600 E C 1.400 178.017 176.600 0.028 0.000 0.982 600 E CA 1.063 57.383 56.400 -0.134 0.000 0.803 600 E CB -0.086 29.525 29.700 -0.149 0.000 0.755 600 E HN 0.404 nan 8.360 nan 0.000 0.453 601 W N 0.726 121.974 121.300 -0.086 0.000 2.363 601 W HA -0.052 4.608 4.660 -0.000 0.000 0.296 601 W C 2.093 178.572 176.519 -0.067 0.000 1.212 601 W CA 0.269 57.561 57.345 -0.089 0.000 1.260 601 W CB -0.861 28.522 29.460 -0.130 0.000 1.131 601 W HN 0.165 nan 8.180 nan 0.000 0.530 602 I N -0.031 120.604 120.570 0.109 0.000 2.353 602 I HA -0.072 4.098 4.170 0.000 0.000 0.248 602 I C 2.149 178.283 176.117 0.029 0.000 1.119 602 I CA 1.260 62.586 61.300 0.043 0.000 1.417 602 I CB -1.072 36.919 38.000 -0.015 0.000 1.078 602 I HN 0.079 nan 8.210 nan 0.000 0.421 603 G N 2.443 111.257 108.800 0.023 0.000 2.634 603 G HA2 -0.431 3.529 3.960 0.000 0.000 0.309 603 G HA3 -0.431 3.529 3.960 0.000 0.000 0.309 603 G C 0.478 175.381 174.900 0.006 0.000 1.265 603 G CA 0.750 45.861 45.100 0.018 0.000 0.998 603 G HN 0.534 nan 8.290 nan 0.000 0.551 604 D N 1.133 121.538 120.400 0.009 0.000 2.328 604 D HA 0.387 5.027 4.640 0.000 0.000 0.221 604 D C 1.805 178.106 176.300 0.002 0.000 1.072 604 D CA 1.110 55.112 54.000 0.005 0.000 0.850 604 D CB -0.425 40.380 40.800 0.008 0.000 0.922 604 D HN 2.151 nan 8.370 nan 0.000 0.516 605 G N 0.402 109.203 108.800 0.002 0.000 2.168 605 G HA2 -0.372 3.588 3.960 0.000 0.000 0.263 605 G HA3 -0.372 3.588 3.960 0.000 0.000 0.263 605 G C 1.109 176.012 174.900 0.005 0.000 0.977 605 G CA 0.918 46.015 45.100 -0.006 0.000 0.659 605 G HN 0.722 nan 8.290 nan 0.000 0.533 606 S N -0.705 115.003 115.700 0.015 0.000 2.524 606 S HA 0.296 4.766 4.470 0.000 0.000 0.216 606 S C 0.636 175.254 174.600 0.029 0.000 0.987 606 S CA 0.613 58.826 58.200 0.022 0.000 0.909 606 S CB 0.326 63.538 63.200 0.021 0.000 0.781 606 S HN 0.623 nan 8.310 nan 0.000 0.521 607 E N 2.499 122.717 120.200 0.031 0.000 2.392 607 E HA 0.144 4.494 4.350 0.000 0.000 0.264 607 E C -0.250 176.377 176.600 0.046 0.000 1.024 607 E CA -0.359 56.063 56.400 0.037 0.000 0.903 607 E CB 0.247 29.969 29.700 0.037 0.000 0.963 607 E HN 0.428 nan 8.360 nan 0.000 0.432 608 N N 2.614 121.343 118.700 0.048 0.000 2.492 608 N HA 0.013 4.753 4.740 0.000 0.000 0.262 608 N C 0.016 175.566 175.510 0.067 0.000 1.202 608 N CA 0.227 53.312 53.050 0.058 0.000 0.926 608 N CB 0.397 38.914 38.487 0.050 0.000 1.078 608 N HN 0.558 nan 8.380 nan 0.000 0.454 609 I N -1.879 118.743 120.570 0.086 0.000 4.026 609 I HA 0.410 4.580 4.170 0.000 0.000 0.324 609 I C -0.495 175.677 176.117 0.093 0.000 1.474 609 I CA -0.543 60.816 61.300 0.099 0.000 1.107 609 I CB 0.276 38.356 38.000 0.133 0.000 1.345 609 I HN 0.269 nan 8.210 nan 0.000 0.531 610 D N 2.479 122.924 120.400 0.074 0.000 2.280 610 D HA 0.210 4.851 4.640 0.000 0.000 0.236 610 D C 0.281 176.585 176.300 0.005 0.000 1.082 610 D CA 0.052 54.078 54.000 0.043 0.000 0.834 610 D CB 0.630 41.475 40.800 0.076 0.000 1.100 610 D HN 0.248 nan 8.370 nan 0.000 0.486 611 N N 2.508 121.176 118.700 -0.053 0.000 2.648 611 N HA -0.218 4.522 4.740 0.000 0.000 0.265 611 N C -1.405 174.095 175.510 -0.018 0.000 1.100 611 N CA 1.319 54.339 53.050 -0.050 0.000 0.715 611 N CB -0.959 37.516 38.487 -0.020 0.000 0.881 611 N HN 0.556 nan 8.380 nan 0.000 0.548 612 T N -0.655 113.890 114.554 -0.014 0.000 2.649 612 T HA 0.294 4.644 4.350 0.000 0.000 0.305 612 T C -1.944 172.761 174.700 0.009 0.000 1.409 612 T CA -0.547 61.556 62.100 0.005 0.000 1.021 612 T CB 0.622 69.505 68.868 0.026 0.000 1.726 612 T HN 0.063 nan 8.240 nan 0.000 0.475 613 D N 2.391 122.805 120.400 0.025 0.000 2.316 613 D HA 0.476 5.116 4.640 0.000 0.000 0.245 613 D C 0.211 176.575 176.300 0.107 0.000 1.171 613 D CA 0.009 54.026 54.000 0.028 0.000 0.856 613 D CB 0.460 41.256 40.800 -0.006 0.000 1.090 613 D HN 0.633 nan 8.370 nan 0.000 0.476 614 I N -1.749 118.886 120.570 0.108 0.000 3.067 614 I HA 0.608 4.778 4.170 0.000 0.000 0.312 614 I C -1.110 175.114 176.117 0.177 0.000 1.073 614 I CA -1.144 60.245 61.300 0.149 0.000 1.016 614 I CB 1.959 40.048 38.000 0.148 0.000 1.227 614 I HN 0.012 nan 8.210 nan 0.000 0.456 615 L N 2.665 123.997 121.223 0.181 0.000 2.409 615 L HA 0.472 4.812 4.340 0.000 0.000 0.272 615 L C -1.508 175.495 176.870 0.223 0.000 0.980 615 L CA -0.444 54.486 54.840 0.149 0.000 0.826 615 L CB 2.331 44.477 42.059 0.144 0.000 1.268 615 L HN 0.530 nan 8.230 nan 0.000 0.407 616 F N 3.833 123.745 119.950 -0.062 0.000 2.375 616 F HA 0.524 5.051 4.527 -0.000 0.000 0.361 616 F C -0.975 174.745 175.800 -0.133 0.000 1.117 616 F CA -0.638 57.362 58.000 -0.000 0.000 1.037 616 F CB 0.685 39.678 39.000 -0.012 0.000 1.192 616 F HN 0.114 nan 8.300 nan 0.000 0.452 617 F N 5.332 125.317 119.950 0.057 0.000 2.388 617 F HA 0.278 4.805 4.527 -0.000 0.000 0.358 617 F C -0.224 175.651 175.800 0.125 0.000 1.122 617 F CA -0.655 57.419 58.000 0.125 0.000 1.056 617 F CB 0.743 39.808 39.000 0.108 0.000 1.155 617 F HN 0.426 nan 8.300 nan 0.000 0.461 618 H N 1.612 120.847 119.070 0.275 0.000 2.481 618 H HA 0.456 5.012 4.556 -0.000 0.000 0.333 618 H C -0.804 174.751 175.328 0.378 0.000 1.066 618 H CA -0.589 55.602 56.048 0.238 0.000 1.209 618 H CB 1.161 31.073 29.762 0.250 0.000 1.445 618 H HN 0.504 nan 8.280 nan 0.000 0.488 619 T N 7.508 122.057 114.554 -0.009 0.000 2.744 619 T HA 0.415 4.765 4.350 0.000 0.000 0.291 619 T C -0.861 173.777 174.700 -0.104 0.000 0.957 619 T CA -0.295 61.876 62.100 0.118 0.000 1.002 619 T CB -0.324 68.702 68.868 0.264 0.000 0.919 619 T HN 0.492 nan 8.240 nan 0.000 0.468 620 F N 0.305 120.187 119.950 -0.112 0.000 2.715 620 F HA 0.960 5.487 4.527 -0.000 0.000 0.318 620 F C 0.127 176.067 175.800 0.235 0.000 1.141 620 F CA -0.879 57.098 58.000 -0.039 0.000 0.950 620 F CB 1.063 39.997 39.000 -0.110 0.000 1.374 620 F HN 0.872 nan 8.300 nan 0.000 0.477 621 G N 0.296 109.186 108.800 0.149 0.000 2.373 621 G HA2 0.430 4.390 3.960 0.000 0.000 0.250 621 G HA3 0.430 4.390 3.960 0.000 0.000 0.250 621 G C -1.957 173.053 174.900 0.183 0.000 1.304 621 G CA -0.313 44.893 45.100 0.177 0.000 0.948 621 G HN 1.577 nan 8.290 nan 0.000 0.474 622 I N -3.005 117.669 120.570 0.172 0.000 3.191 622 I HA 0.859 5.029 4.170 0.000 0.000 0.313 622 I C -0.834 175.307 176.117 0.040 0.000 1.193 622 I CA -1.054 60.308 61.300 0.103 0.000 0.968 622 I CB 2.242 40.288 38.000 0.076 0.000 1.262 622 I HN 0.480 nan 8.210 nan 0.000 0.456 623 T N 1.155 115.694 114.554 -0.025 0.000 2.770 623 T HA 0.334 4.684 4.350 0.000 0.000 0.283 623 T C -0.969 173.576 174.700 -0.258 0.000 0.988 623 T CA -0.152 61.837 62.100 -0.186 0.000 0.957 623 T CB 0.135 68.915 68.868 -0.146 0.000 0.930 623 T HN 0.620 nan 8.240 nan 0.000 0.443 624 H N 2.874 121.586 119.070 -0.597 0.000 2.541 624 H HA 0.431 4.987 4.556 -0.000 0.000 0.316 624 H C -1.170 173.745 175.328 -0.688 0.000 1.043 624 H CA -1.083 54.631 56.048 -0.557 0.000 1.232 624 H CB 0.349 29.743 29.762 -0.613 0.000 1.406 624 H HN 0.429 nan 8.280 nan 0.000 0.469 625 F N 6.733 126.800 119.950 0.196 0.000 2.311 625 F HA 0.280 4.807 4.527 -0.000 0.000 0.371 625 F C -1.990 173.902 175.800 0.153 0.000 1.083 625 F CA -2.492 55.560 58.000 0.086 0.000 1.113 625 F CB 0.858 39.900 39.000 0.070 0.000 1.349 625 F HN 0.535 nan 8.300 nan 0.000 0.470 626 P HA 0.213 nan 4.420 nan 0.000 0.266 626 P C -0.684 176.722 177.300 0.176 0.000 1.193 626 P CA 0.100 63.267 63.100 0.112 0.000 0.770 626 P CB 0.769 32.462 31.700 -0.011 0.000 0.836 627 A N 4.055 126.988 122.820 0.188 0.000 2.515 627 A HA 0.606 4.926 4.320 0.000 0.000 0.296 627 A C -2.119 175.548 177.584 0.140 0.000 1.094 627 A CA -1.477 50.643 52.037 0.140 0.000 0.718 627 A CB 0.823 19.902 19.000 0.133 0.000 1.307 627 A HN 0.244 nan 8.150 nan 0.000 0.408 628 P HA -0.153 nan 4.420 nan 0.000 0.217 628 P C 0.762 178.167 177.300 0.176 0.000 1.148 628 P CA 1.524 64.716 63.100 0.154 0.000 0.828 628 P CB 0.278 32.053 31.700 0.124 0.000 0.783 629 E N -0.637 119.643 120.200 0.133 0.000 2.209 629 E HA -0.168 4.182 4.350 0.000 0.000 0.196 629 E C 1.323 177.993 176.600 0.117 0.000 0.993 629 E CA 1.065 57.529 56.400 0.107 0.000 0.819 629 E CB -0.716 29.029 29.700 0.076 0.000 0.745 629 E HN 0.351 nan 8.360 nan 0.000 0.477 630 D N -0.920 119.580 120.400 0.168 0.000 2.363 630 D HA -0.024 4.616 4.640 0.000 0.000 0.220 630 D C -0.207 176.229 176.300 0.227 0.000 0.994 630 D CA 0.414 54.525 54.000 0.183 0.000 0.890 630 D CB 0.105 41.068 40.800 0.272 0.000 0.906 630 D HN 0.067 nan 8.370 nan 0.000 0.530 631 F N 1.195 121.171 119.950 0.043 0.000 2.538 631 F HA 0.312 4.839 4.527 0.000 0.000 0.325 631 F C -1.681 174.135 175.800 0.027 0.000 1.066 631 F CA -2.388 55.630 58.000 0.030 0.000 0.946 631 F CB 2.108 41.139 39.000 0.052 0.000 1.199 631 F HN -0.304 nan 8.300 nan 0.000 0.473 632 P HA 0.074 nan 4.420 nan 0.000 0.245 632 P C -0.451 176.525 177.300 -0.540 0.000 1.206 632 P CA 0.818 63.161 63.100 -1.263 0.000 0.781 632 P CB 1.126 32.272 31.700 -0.923 0.000 0.994 633 L N 0.308 121.313 121.223 -0.363 0.000 2.410 633 L HA 0.506 4.846 4.340 0.000 0.000 0.270 633 L C -0.608 176.120 176.870 -0.237 0.000 0.983 633 L CA -1.130 53.436 54.840 -0.456 0.000 0.822 633 L CB 2.782 44.343 42.059 -0.830 0.000 1.285 633 L HN -0.163 nan 8.230 nan 0.000 0.409 634 M N 6.207 125.702 119.600 -0.176 0.000 2.188 634 M HA 0.472 4.952 4.480 0.000 0.000 0.357 634 M C -2.377 173.855 176.300 -0.113 0.000 1.204 634 M CA -1.434 53.817 55.300 -0.082 0.000 1.095 634 M CB 1.676 34.267 32.600 -0.015 0.000 1.604 634 M HN 0.273 nan 8.290 nan 0.000 0.464 635 P HA 0.125 nan 4.420 nan 0.000 0.271 635 P C -1.236 176.007 177.300 -0.095 0.000 1.218 635 P CA -0.177 62.872 63.100 -0.085 0.000 0.780 635 P CB 0.567 32.234 31.700 -0.056 0.000 0.901 636 A N 2.491 125.252 122.820 -0.098 0.000 2.566 636 A HA -0.002 4.318 4.320 0.000 0.000 0.245 636 A C 0.370 177.891 177.584 -0.104 0.000 1.056 636 A CA 0.420 52.395 52.037 -0.103 0.000 0.757 636 A CB -0.551 18.400 19.000 -0.081 0.000 0.979 636 A HN 0.565 nan 8.150 nan 0.000 0.508 637 E N 3.641 123.763 120.200 -0.130 0.000 2.151 637 E HA 0.415 4.765 4.350 0.000 0.000 0.275 637 E C -2.527 174.008 176.600 -0.109 0.000 0.936 637 E CA -2.229 54.093 56.400 -0.130 0.000 0.777 637 E CB 1.654 31.241 29.700 -0.188 0.000 1.108 637 E HN 0.539 nan 8.360 nan 0.000 0.401 638 P HA 0.333 nan 4.420 nan 0.000 0.282 638 P C -0.678 176.594 177.300 -0.046 0.000 1.249 638 P CA -0.218 62.841 63.100 -0.068 0.000 0.806 638 P CB 1.340 32.998 31.700 -0.069 0.000 0.984 639 I N 0.590 121.136 120.570 -0.039 0.000 2.722 639 I HA 0.520 4.690 4.170 0.000 0.000 0.295 639 I C -0.148 175.948 176.117 -0.034 0.000 1.161 639 I CA -0.523 60.779 61.300 0.004 0.000 1.032 639 I CB 2.632 40.657 38.000 0.041 0.000 1.244 639 I HN 0.304 nan 8.210 nan 0.000 0.421 640 T N 6.310 120.840 114.554 -0.040 0.000 2.885 640 T HA 0.691 5.041 4.350 0.000 0.000 0.322 640 T C -1.966 172.628 174.700 -0.178 0.000 1.387 640 T CA -0.561 61.459 62.100 -0.132 0.000 1.041 640 T CB 1.571 70.371 68.868 -0.113 0.000 1.287 640 T HN 0.597 nan 8.240 nan 0.000 0.491 641 L N 1.849 122.908 121.223 -0.273 0.000 2.469 641 L HA 0.862 5.202 4.340 0.000 0.000 0.256 641 L C -1.728 175.015 176.870 -0.210 0.000 1.006 641 L CA -1.156 53.529 54.840 -0.259 0.000 0.832 641 L CB 1.874 43.680 42.059 -0.421 0.000 1.421 641 L HN 0.962 nan 8.230 nan 0.000 0.410 642 M N 2.306 121.822 119.600 -0.139 0.000 2.484 642 M HA 0.633 5.113 4.480 0.000 0.000 0.289 642 M C -2.235 174.040 176.300 -0.042 0.000 1.206 642 M CA -0.557 54.688 55.300 -0.092 0.000 0.892 642 M CB 2.786 35.351 32.600 -0.057 0.000 1.712 642 M HN 0.697 nan 8.290 nan 0.000 0.462 643 L N 4.615 125.849 121.223 0.019 0.000 2.316 643 L HA 0.586 4.926 4.340 0.000 0.000 0.280 643 L C -0.810 176.161 176.870 0.169 0.000 1.006 643 L CA -0.517 54.412 54.840 0.147 0.000 0.836 643 L CB 1.562 43.788 42.059 0.279 0.000 1.221 643 L HN 0.712 nan 8.230 nan 0.000 0.418 644 R N 4.207 124.702 120.500 -0.008 0.000 2.532 644 R HA 0.494 4.834 4.340 0.000 0.000 0.295 644 R C -2.588 173.337 176.300 -0.625 0.000 0.968 644 R CA -1.906 54.071 56.100 -0.205 0.000 0.916 644 R CB 1.449 31.684 30.300 -0.108 0.000 1.124 644 R HN 0.265 nan 8.270 nan 0.000 0.463 645 P HA 0.152 nan 4.420 nan 0.000 0.282 645 P C -0.967 176.125 177.300 -0.346 0.000 1.262 645 P CA -0.321 62.166 63.100 -1.021 0.000 0.773 645 P CB 0.954 32.220 31.700 -0.723 0.000 0.879 646 R N 3.180 123.553 120.500 -0.211 0.000 2.483 646 R HA 0.275 4.615 4.340 0.000 0.000 0.303 646 R C 0.517 176.812 176.300 -0.008 0.000 0.987 646 R CA -0.673 55.343 56.100 -0.141 0.000 0.881 646 R CB 0.164 30.427 30.300 -0.062 0.000 1.177 646 R HN 0.658 nan 8.270 nan 0.000 0.451 647 H N 0.919 120.007 119.070 0.030 0.000 3.237 647 H HA -0.219 4.337 4.556 0.000 0.000 0.231 647 H C 0.695 176.023 175.328 -0.001 0.000 1.148 647 H CA 1.172 57.233 56.048 0.022 0.000 1.155 647 H CB -1.216 28.548 29.762 0.004 0.000 1.210 647 H HN 0.541 nan 8.280 nan 0.000 0.317 648 F N 0.417 120.288 119.950 -0.131 0.000 2.179 648 F HA 0.163 4.690 4.527 0.000 0.000 0.292 648 F C 0.993 176.523 175.800 -0.450 0.000 1.089 648 F CA 0.669 58.472 58.000 -0.329 0.000 1.295 648 F CB 0.222 38.894 39.000 -0.548 0.000 1.041 648 F HN -0.061 nan 8.300 nan 0.000 0.487 649 F N -0.345 119.657 119.950 0.086 0.000 2.457 649 F HA 0.259 4.786 4.527 0.000 0.000 0.330 649 F C 1.669 177.442 175.800 -0.046 0.000 1.069 649 F CA -0.177 57.817 58.000 -0.010 0.000 1.009 649 F CB 0.622 39.630 39.000 0.013 0.000 1.276 649 F HN -0.224 nan 8.300 nan 0.000 0.492 650 T N -3.157 111.481 114.554 0.141 0.000 3.060 650 T HA 0.255 4.605 4.350 0.000 0.000 0.249 650 T C -0.162 174.640 174.700 0.170 0.000 1.079 650 T CA 0.210 62.318 62.100 0.013 0.000 1.013 650 T CB -0.587 68.096 68.868 -0.309 0.000 0.975 650 T HN 0.728 nan 8.240 nan 0.000 0.518 651 E N 0.030 120.320 120.200 0.151 0.000 2.422 651 E HA 0.263 4.613 4.350 0.000 0.000 0.280 651 E C -1.416 175.184 176.600 0.000 0.000 1.091 651 E CA -1.209 55.243 56.400 0.085 0.000 0.849 651 E CB -0.057 29.689 29.700 0.075 0.000 1.353 651 E HN -0.118 nan 8.360 nan 0.000 0.449 652 N N 2.245 120.906 118.700 -0.065 0.000 2.332 652 N HA -0.019 4.721 4.740 0.000 0.000 0.274 652 N C -1.277 174.131 175.510 -0.170 0.000 1.351 652 N CA -1.082 51.889 53.050 -0.133 0.000 0.875 652 N CB 0.643 39.011 38.487 -0.198 0.000 1.140 652 N HN 0.412 nan 8.380 nan 0.000 0.489 653 P HA 0.009 nan 4.420 nan 0.000 0.233 653 P C 0.769 177.982 177.300 -0.145 0.000 1.167 653 P CA 0.666 63.519 63.100 -0.411 0.000 0.770 653 P CB 0.089 31.101 31.700 -1.147 0.000 0.837 654 G N -0.234 108.554 108.800 -0.021 0.000 3.189 654 G HA2 0.067 4.027 3.960 0.000 0.000 0.225 654 G HA3 0.067 4.027 3.960 0.000 0.000 0.225 654 G C 1.304 176.361 174.900 0.262 0.000 1.159 654 G CA -0.188 45.001 45.100 0.148 0.000 0.763 654 G HN 0.186 nan 8.290 nan 0.000 0.549 655 L N 1.044 122.331 121.223 0.107 0.000 2.362 655 L HA 0.002 4.342 4.340 0.000 0.000 0.219 655 L C 1.834 178.776 176.870 0.120 0.000 1.134 655 L CA 0.969 55.856 54.840 0.077 0.000 0.807 655 L CB -0.063 41.953 42.059 -0.073 0.000 0.927 655 L HN 0.258 nan 8.230 nan 0.000 0.447 656 D N -0.304 120.165 120.400 0.115 0.000 2.325 656 D HA 0.049 4.689 4.640 0.000 0.000 0.225 656 D C 0.612 176.956 176.300 0.074 0.000 1.096 656 D CA -0.021 54.038 54.000 0.098 0.000 0.844 656 D CB -0.130 40.756 40.800 0.143 0.000 0.925 656 D HN 0.206 nan 8.370 nan 0.000 0.513 657 I N 1.564 122.191 120.570 0.093 0.000 2.395 657 I HA 0.008 4.178 4.170 0.000 0.000 0.289 657 I C 0.624 176.776 176.117 0.057 0.000 1.023 657 I CA -0.680 60.650 61.300 0.050 0.000 1.350 657 I CB 0.906 38.925 38.000 0.032 0.000 1.409 657 I HN -0.233 nan 8.210 nan 0.000 0.507 658 Q N 6.881 126.697 119.800 0.026 0.000 2.262 658 Q HA 0.102 4.442 4.340 0.000 0.000 0.298 658 Q C -2.147 173.868 176.000 0.026 0.000 1.083 658 Q CA -1.120 54.698 55.803 0.025 0.000 0.962 658 Q CB -0.028 28.717 28.738 0.012 0.000 1.104 658 Q HN 0.308 nan 8.270 nan 0.000 0.376 659 P HA 0.072 nan 4.420 nan 0.000 0.272 659 P C 0.292 177.612 177.300 0.034 0.000 1.223 659 P CA -0.009 63.117 63.100 0.044 0.000 0.784 659 P CB 0.761 32.497 31.700 0.061 0.000 0.923 660 S N -0.014 115.713 115.700 0.045 0.000 2.406 660 S HA -0.021 4.449 4.470 0.000 0.000 0.228 660 S C 0.068 174.762 174.600 0.157 0.000 1.020 660 S CA 1.081 59.325 58.200 0.072 0.000 0.965 660 S CB -0.400 62.833 63.200 0.056 0.000 0.798 660 S HN 0.585 nan 8.310 nan 0.000 0.488 661 Y N -0.286 120.023 120.300 0.016 0.000 2.521 661 Y HA 0.560 5.110 4.550 0.000 0.000 0.332 661 Y C -1.671 174.251 175.900 0.037 0.000 1.121 661 Y CA -1.105 57.008 58.100 0.022 0.000 1.037 661 Y CB 1.000 39.471 38.460 0.018 0.000 1.330 661 Y HN -0.055 nan 8.280 nan 0.000 0.452 662 A N 6.530 128.884 122.820 -0.777 0.000 2.491 662 A HA 0.700 5.020 4.320 0.000 0.000 0.293 662 A C -1.936 175.313 177.584 -0.558 0.000 1.047 662 A CA -0.462 51.296 52.037 -0.465 0.000 0.735 662 A CB 1.228 20.124 19.000 -0.174 0.000 1.281 662 A HN 0.861 nan 8.150 nan 0.000 0.398 663 M N 3.214 122.609 119.600 -0.341 0.000 2.224 663 M HA 0.506 4.986 4.480 0.000 0.000 0.281 663 M C 0.066 176.332 176.300 -0.056 0.000 1.025 663 M CA -0.145 55.045 55.300 -0.183 0.000 0.954 663 M CB 1.897 34.442 32.600 -0.093 0.000 1.639 663 M HN 0.969 nan 8.290 nan 0.000 0.461 664 T N 0.527 115.054 114.554 -0.046 0.000 2.788 664 T HA 0.311 4.661 4.350 0.000 0.000 0.280 664 T C 0.846 175.540 174.700 -0.010 0.000 0.984 664 T CA -0.193 61.895 62.100 -0.020 0.000 0.972 664 T CB 0.935 69.790 68.868 -0.022 0.000 1.039 664 T HN 0.715 nan 8.240 nan 0.000 0.530 665 T N 1.266 115.814 114.554 -0.011 0.000 2.746 665 T HA -0.123 4.227 4.350 0.000 0.000 0.267 665 T C 2.398 177.089 174.700 -0.014 0.000 1.039 665 T CA 1.805 63.895 62.100 -0.017 0.000 1.142 665 T CB -0.700 68.151 68.868 -0.028 0.000 0.866 665 T HN 0.867 nan 8.240 nan 0.000 0.444 666 S N 1.892 117.584 115.700 -0.014 0.000 2.368 666 S HA -0.112 4.358 4.470 0.000 0.000 0.224 666 S C 1.887 176.482 174.600 -0.008 0.000 1.029 666 S CA 1.029 59.221 58.200 -0.012 0.000 0.988 666 S CB -0.453 62.739 63.200 -0.013 0.000 0.838 666 S HN 0.591 nan 8.310 nan 0.000 0.462 667 E N 1.887 122.081 120.200 -0.011 0.000 2.106 667 E HA 0.000 4.350 4.350 0.000 0.000 0.192 667 E C 2.439 179.041 176.600 0.003 0.000 0.984 667 E CA 0.923 57.318 56.400 -0.009 0.000 0.806 667 E CB -0.433 29.253 29.700 -0.023 0.000 0.750 667 E HN 0.710 nan 8.360 nan 0.000 0.458 668 A N 1.877 124.702 122.820 0.008 0.000 1.902 668 A HA -0.229 4.091 4.320 0.000 0.000 0.217 668 A C 1.968 179.564 177.584 0.021 0.000 1.181 668 A CA 1.465 53.516 52.037 0.023 0.000 0.623 668 A CB -0.286 18.727 19.000 0.022 0.000 0.818 668 A HN 0.044 nan 8.150 nan 0.000 0.443 669 K N -0.648 119.758 120.400 0.010 0.000 2.063 669 K HA -0.146 4.174 4.320 0.000 0.000 0.208 669 K C 2.356 178.968 176.600 0.021 0.000 1.048 669 K CA 1.567 57.862 56.287 0.012 0.000 0.928 669 K CB -0.200 32.301 32.500 0.002 0.000 0.713 669 K HN 0.394 nan 8.250 nan 0.000 0.442 670 R N 0.318 120.825 120.500 0.012 0.000 2.070 670 R HA -0.113 4.227 4.340 0.000 0.000 0.233 670 R C 2.439 178.746 176.300 0.011 0.000 1.137 670 R CA 1.495 57.600 56.100 0.010 0.000 0.945 670 R CB -0.360 29.941 30.300 0.002 0.000 0.845 670 R HN 0.199 nan 8.270 nan 0.000 0.430 671 A N 0.576 123.405 122.820 0.014 0.000 1.855 671 A HA -0.120 4.200 4.320 0.000 0.000 0.215 671 A C 2.237 179.836 177.584 0.024 0.000 1.191 671 A CA 1.317 53.362 52.037 0.013 0.000 0.613 671 A CB -0.983 18.033 19.000 0.027 0.000 0.829 671 A HN 0.209 nan 8.150 nan 0.000 0.442 672 V N -1.463 118.482 119.914 0.052 0.000 2.285 672 V HA -0.398 3.722 4.120 0.000 0.000 0.260 672 V C 1.805 178.005 176.094 0.176 0.000 1.089 672 V CA 3.406 65.760 62.300 0.091 0.000 1.082 672 V CB -0.370 31.497 31.823 0.073 0.000 0.681 672 V HN 0.829 nan 8.190 nan 0.000 0.452 673 H N -2.548 116.524 119.070 0.004 0.000 1.907 673 H HA 0.129 4.685 4.556 0.000 0.000 0.115 673 H C 0.334 175.663 175.328 0.001 0.000 1.288 673 H CA 0.409 56.459 56.048 0.003 0.000 0.570 673 H CB 0.214 29.976 29.762 0.000 0.000 0.387 673 H HN 0.303 nan 8.280 nan 0.000 0.205 674 K N 1.311 121.808 120.400 0.162 0.000 3.409 674 K HA 0.103 4.423 4.320 0.000 0.000 0.141 674 K C -0.754 175.882 176.600 0.059 0.000 0.943 674 K CA 0.351 56.687 56.287 0.082 0.000 0.969 674 K CB 1.785 34.333 32.500 0.080 0.000 0.637 674 K HN 0.527 nan 8.250 nan 0.000 0.386 675 E N 0.000 120.234 120.200 0.056 0.000 2.725 675 E HA 0.000 4.350 4.350 0.000 0.000 0.291 675 E CA 0.000 56.414 56.400 0.024 0.000 0.976 675 E CB 0.000 29.707 29.700 0.011 0.000 0.812 675 E HN 0.000 nan 8.360 nan 0.000 0.440