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_A 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 1.053 123.875 122.820 0.004 0.000 2.302 16 A HA 0.722 5.042 4.320 0.000 0.000 0.219 16 A C 1.177 178.761 177.584 0.001 0.000 1.243 16 A CA 0.266 52.304 52.037 0.002 0.000 0.856 16 A CB -1.056 17.945 19.000 0.001 0.000 0.893 16 A HN 1.806 nan 8.150 nan 0.000 0.491 17 A N 1.954 124.777 122.820 0.004 0.000 2.540 17 A HA 0.466 4.786 4.320 0.000 0.000 0.239 17 A C -1.659 175.926 177.584 0.002 0.000 1.061 17 A CA -0.770 51.270 52.037 0.004 0.000 0.758 17 A CB -0.256 18.748 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 -0.103 177.198 177.300 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 32.326 31.700 -0.006 0.000 0.949 19 A N 3.249 126.070 122.820 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 -0.166 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 2.036 122.544 120.500 0.014 0.000 2.694 20 R HA 0.301 4.642 4.340 0.000 0.000 0.268 20 R C -1.930 174.387 176.300 0.027 0.000 1.061 20 R CA -0.924 55.185 56.100 0.014 0.000 1.133 20 R CB 0.077 30.382 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 62.880 63.100 0.063 0.000 0.800 21 P CB 1.015 32.762 31.700 0.078 0.000 1.066 22 A N 0.360 123.251 122.820 0.118 0.000 1.930 22 A HA -0.116 4.204 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 -2.362 116.774 119.070 0.111 0.000 2.600 23 H HA 0.427 4.983 4.556 0.000 0.000 0.357 23 H C -2.355 172.953 175.328 -0.034 0.000 1.106 23 H CA -1.976 54.139 56.048 0.110 0.000 1.193 23 H CB 2.063 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 -2.090 119.237 121.223 0.173 0.000 2.607 25 L HA 0.140 4.480 4.340 0.000 0.000 0.228 25 L C 0.294 177.060 176.870 -0.175 0.000 1.123 25 L CA -0.187 54.507 54.840 -0.243 0.000 0.890 25 L CB -0.437 41.160 42.059 -0.769 0.000 1.103 25 L HN -0.111 nan 8.230 nan 0.000 0.468 26 D N 1.655 122.117 120.400 0.103 0.000 2.443 26 D HA 0.123 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 -0.064 nan 8.370 nan 0.000 0.443 27 P HA 0.058 nan 4.420 nan 0.000 0.271 27 P C -0.010 177.383 177.300 0.156 0.000 1.233 27 P CA -0.329 62.880 63.100 0.182 0.000 0.789 27 P CB 0.570 32.401 31.700 0.218 0.000 0.951 28 L N 0.676 121.990 121.223 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 0.093 55.001 54.840 0.113 0.000 0.869 28 L CB -0.058 42.069 42.059 0.113 0.000 1.123 28 L HN 0.506 nan 8.230 nan 0.000 0.484 29 S N 0.054 115.773 115.700 0.031 0.000 2.624 29 S HA 0.122 4.592 4.470 0.000 0.000 0.263 29 S C 1.280 175.805 174.600 -0.126 0.000 1.287 29 S CA -0.168 57.994 58.200 -0.063 0.000 0.990 29 S CB 1.301 64.467 63.200 -0.057 0.000 0.950 29 S HN 0.770 nan 8.310 nan 0.000 0.561 30 T N -1.410 112.976 114.554 -0.280 0.000 2.833 30 T HA -0.078 4.272 4.350 0.000 0.000 0.269 30 T C 1.947 176.581 174.700 -0.111 0.000 1.054 30 T CA 1.094 63.068 62.100 -0.210 0.000 1.135 30 T CB -1.056 67.654 68.868 -0.264 0.000 0.869 30 T HN 0.874 nan 8.240 nan 0.000 0.466 31 A N 1.989 124.751 122.820 -0.097 0.000 1.902 31 A HA -0.078 4.243 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 1.580 53.581 52.037 -0.060 0.000 0.623 31 A CB -0.682 18.290 19.000 -0.047 0.000 0.818 31 A HN 0.651 nan 8.150 nan 0.000 0.443 32 E N -0.319 119.863 120.200 -0.031 0.000 2.110 32 E HA -0.135 4.216 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 57.501 56.400 -0.010 0.000 0.804 32 E CB -0.284 29.423 29.700 0.012 0.000 0.745 32 E HN 0.692 nan 8.360 nan 0.000 0.458 33 I N 1.066 121.625 120.570 -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 1.068 62.350 61.300 -0.031 0.000 1.343 33 I CB -0.171 37.823 38.000 -0.009 0.000 1.046 33 I HN -0.007 nan 8.210 nan 0.000 0.405 34 K N 1.527 121.876 120.400 -0.085 0.000 2.057 34 K HA -0.130 4.190 4.320 0.000 0.000 0.207 34 K C 2.013 178.560 176.600 -0.089 0.000 1.049 34 K CA 1.746 57.972 56.287 -0.102 0.000 0.931 34 K CB -0.448 32.008 32.500 -0.073 0.000 0.714 34 K HN 0.302 nan 8.250 nan 0.000 0.440 35 A N 0.358 123.144 122.820 -0.057 0.000 1.933 35 A HA -0.054 4.266 4.320 0.000 0.000 0.218 35 A C 2.354 179.914 177.584 -0.040 0.000 1.175 35 A CA 2.030 54.045 52.037 -0.037 0.000 0.628 35 A CB -1.000 17.988 19.000 -0.019 0.000 0.814 35 A HN 0.414 nan 8.150 nan 0.000 0.444 36 A N -0.221 122.571 122.820 -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 54.570 52.037 -0.039 0.000 0.616 36 A CB -1.425 17.573 19.000 -0.003 0.000 0.823 36 A HN 0.770 nan 8.150 nan 0.000 0.442 37 T N -1.881 112.533 114.554 -0.232 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 1.407 63.247 62.100 -0.432 0.000 1.139 37 T CB -0.554 67.769 68.868 -0.908 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 1.832 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 0.956 63.069 62.100 0.021 0.000 1.146 39 T CB -0.351 68.518 68.868 0.001 0.000 0.865 39 T HN -0.022 nan 8.240 nan 0.000 0.435 40 V N 1.447 121.381 119.914 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 0.466 nan 8.190 nan 0.000 0.451 41 K N 0.111 120.678 120.400 0.280 0.000 2.063 41 K HA -0.163 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 1.816 58.251 56.287 0.247 0.000 0.928 41 K CB -0.345 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 0.328 116.096 115.700 0.113 0.000 2.368 42 S HA -0.171 4.299 4.470 0.000 0.000 0.225 42 S C 1.723 176.340 174.600 0.027 0.000 1.030 42 S CA 1.061 59.297 58.200 0.061 0.000 0.999 42 S CB -0.360 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 1.003 121.230 120.300 -0.122 0.000 2.224 43 Y HA -0.060 4.490 4.550 0.000 0.000 0.289 43 Y C 0.740 176.383 175.900 -0.427 0.000 1.146 43 Y CA 1.248 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 0.802 120.798 119.950 0.077 0.000 2.916 44 F HA 0.441 4.968 4.527 0.000 0.000 0.294 44 F C 0.850 176.634 175.800 -0.027 0.000 1.189 44 F CA -0.485 57.514 58.000 -0.001 0.000 1.369 44 F CB -0.859 38.161 39.000 0.034 0.000 0.961 44 F HN -0.009 nan 8.300 nan 0.000 0.508 45 A N 0.162 123.010 122.820 0.046 0.000 2.567 45 A HA 0.390 4.710 4.320 0.000 0.000 0.240 45 A C 1.579 179.183 177.584 0.033 0.000 1.053 45 A CA 0.990 53.047 52.037 0.034 0.000 0.755 45 A CB -0.550 18.443 19.000 -0.011 0.000 0.978 45 A HN 1.112 nan 8.150 nan 0.000 0.507 46 G N 1.759 110.582 108.800 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 0.517 45.632 45.100 0.026 0.000 0.621 46 G HN 0.774 nan 8.290 nan 0.000 0.519 47 K N 0.701 121.135 120.400 0.057 0.000 2.143 47 K HA 0.431 4.751 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 -0.685 55.625 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 0.289 nan 8.250 nan 0.000 0.458 48 K N 4.356 124.741 120.400 -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 56.000 56.287 -0.039 0.000 0.931 48 K CB -0.188 32.294 32.500 -0.030 0.000 1.296 48 K HN 0.603 nan 8.250 nan 0.000 0.446 49 I N 0.168 120.663 120.570 -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 -1.047 173.343 174.600 -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 2.809 122.741 119.950 -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 -0.594 57.395 58.000 -0.018 0.000 1.135 51 F CB 1.216 40.213 39.000 -0.005 0.000 1.120 51 F HN 0.839 nan 8.300 nan 0.000 0.495 52 N N 1.005 119.770 118.700 0.108 0.000 2.482 52 N HA 0.022 4.763 4.740 0.000 0.000 0.179 52 N C -0.393 175.179 175.510 0.105 0.000 1.039 52 N CA 0.694 53.790 53.050 0.075 0.000 0.884 52 N CB 0.642 39.148 38.487 0.032 0.000 1.113 52 N HN 0.556 nan 8.380 nan 0.000 0.440 53 T N 0.563 115.160 114.554 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 2.575 71.261 68.868 -0.304 0.000 1.133 53 T HN -0.151 nan 8.240 nan 0.000 0.463 54 V N 2.777 122.689 119.914 -0.003 0.000 2.462 54 V HA 0.745 4.865 4.120 0.000 0.000 0.288 54 V C -0.151 175.993 176.094 0.082 0.000 1.020 54 V CA -0.452 61.892 62.300 0.073 0.000 0.857 54 V CB 1.590 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 3.835 118.463 114.554 0.123 0.000 2.841 55 T HA 0.630 4.981 4.350 0.000 0.000 0.296 55 T C -1.239 173.595 174.700 0.223 0.000 1.166 55 T CA -0.535 61.681 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 0.580 4.920 4.340 0.000 0.000 0.273 56 L C 0.188 177.148 176.870 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 4.495 125.070 120.500 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 5.494 125.701 120.200 0.010 0.000 2.437 58 E HA 0.039 4.389 4.350 0.000 0.000 0.263 58 E C -1.827 174.775 176.600 0.004 0.000 1.030 58 E CA -1.124 55.268 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 62.866 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 2.334 125.203 122.820 0.082 0.000 2.531 60 A HA -0.034 4.286 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 -0.011 52.087 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 1.277 121.832 120.500 0.092 0.000 2.096 61 R HA -0.205 4.135 4.340 0.000 0.000 0.240 61 R C 2.095 178.339 176.300 -0.094 0.000 1.139 61 R CA 2.282 58.313 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 -0.327 120.039 120.400 -0.056 0.000 2.026 62 K HA -0.137 4.183 4.320 0.000 0.000 0.208 62 K C 1.951 178.570 176.600 0.032 0.000 1.048 62 K CA 1.488 57.757 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 0.442 123.302 122.820 0.067 0.000 1.908 63 A HA -0.214 4.106 4.320 0.000 0.000 0.218 63 A C 2.090 179.758 177.584 0.141 0.000 1.181 63 A CA 1.577 53.667 52.037 0.088 0.000 0.627 63 A CB -0.960 18.086 19.000 0.077 0.000 0.818 63 A HN 0.610 nan 8.150 nan 0.000 0.445 64 Y N 0.450 120.798 120.300 0.079 0.000 2.145 64 Y HA -0.178 4.372 4.550 0.000 0.000 0.286 64 Y C 2.024 178.071 175.900 0.244 0.000 1.145 64 Y CA 1.870 60.070 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 0.101 120.748 120.570 0.129 0.000 2.286 65 I HA -0.342 3.828 4.170 0.000 0.000 0.248 65 I C 2.364 178.451 176.117 -0.050 0.000 1.115 65 I CA 1.564 62.874 61.300 0.018 0.000 1.392 65 I CB -0.504 37.501 38.000 0.008 0.000 1.065 65 I HN 0.358 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 4.072 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 2.105 57.899 55.803 -0.015 0.000 0.844 66 Q CB -0.300 28.448 28.738 0.017 0.000 0.898 66 Q HN 0.638 nan 8.270 nan 0.000 0.426 67 W N 1.717 122.908 121.300 -0.182 0.000 2.381 67 W HA -0.158 4.503 4.660 0.000 0.000 0.301 67 W C 2.056 178.420 176.519 -0.259 0.000 1.205 67 W CA 1.168 58.390 57.345 -0.205 0.000 1.285 67 W CB -0.009 29.311 29.460 -0.233 0.000 1.133 67 W HN -0.153 nan 8.180 nan 0.000 0.521 68 K N 0.604 120.724 120.400 -0.467 0.000 2.097 68 K HA -0.146 4.174 4.320 0.000 0.000 0.205 68 K C 1.136 177.455 176.600 -0.469 0.000 1.050 68 K CA 2.034 57.889 56.287 -0.721 0.000 0.938 68 K CB -0.139 32.072 32.500 -0.482 0.000 0.718 68 K HN 0.429 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 0.054 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 -0.056 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 0.233 nan 8.360 nan 0.000 0.506 70 Q N 0.273 119.982 119.800 -0.152 0.000 2.141 70 Q HA 0.238 4.578 4.340 0.000 0.000 0.248 70 Q C 0.450 176.385 176.000 -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 0.963 109.661 108.800 -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 -0.277 177.145 177.300 0.205 0.000 1.223 73 P CA -0.588 62.599 63.100 0.145 0.000 0.784 73 P CB 1.077 32.821 31.700 0.074 0.000 0.923 74 L N 4.925 126.242 121.223 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 -0.207 31.429 31.700 -0.108 0.000 0.876 76 P HA 0.157 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 3.648 124.139 120.500 -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 0.210 56.307 56.100 -0.004 0.000 0.934 77 R CB -0.976 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 2.714 123.959 121.223 0.038 0.000 2.342 78 L HA 0.789 5.130 4.340 0.000 0.000 0.271 78 L C -0.303 176.626 176.870 0.099 0.000 1.008 78 L CA -1.365 53.515 54.840 0.067 0.000 0.818 78 L CB 2.174 44.272 42.059 0.066 0.000 1.296 78 L HN 0.651 nan 8.230 nan 0.000 0.427 79 A N 1.646 124.544 122.820 0.131 0.000 2.330 79 A HA 0.564 4.884 4.320 0.000 0.000 0.313 79 A C -1.580 176.149 177.584 0.242 0.000 1.124 79 A CA -0.380 51.759 52.037 0.171 0.000 0.774 79 A CB 0.979 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 -0.801 175.175 175.900 0.127 0.000 1.092 80 Y CA -0.907 57.231 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 3.174 123.139 120.300 -0.558 0.000 2.576 81 Y HA 0.828 5.378 4.550 0.000 0.000 0.346 81 Y C -2.093 173.453 175.900 -0.589 0.000 1.018 81 Y CA -1.869 55.979 58.100 -0.420 0.000 1.050 81 Y CB 1.161 39.603 38.460 -0.030 0.000 1.280 81 Y HN 0.358 nan 8.280 nan 0.000 0.474 82 V N 4.761 124.589 119.914 -0.144 0.000 2.569 82 V HA 0.561 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 33.146 31.823 -0.076 0.000 1.002 82 V HN 0.881 nan 8.190 nan 0.000 0.424 83 I N 2.560 123.090 120.570 -0.067 0.000 3.042 83 I HA 0.731 4.902 4.170 0.000 0.000 0.310 83 I C -1.557 174.420 176.117 -0.234 0.000 1.117 83 I CA -1.015 60.141 61.300 -0.241 0.000 1.003 83 I CB 2.375 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 2.124 123.197 121.223 -0.250 0.000 2.342 84 L HA 0.572 4.913 4.340 0.000 0.000 0.271 84 L C -0.456 176.277 176.870 -0.229 0.000 1.008 84 L CA -0.275 54.449 54.840 -0.194 0.000 0.818 84 L CB 1.691 43.671 42.059 -0.132 0.000 1.296 84 L HN 0.814 nan 8.230 nan 0.000 0.427 85 E N 1.114 121.201 120.200 -0.188 0.000 2.199 85 E HA 0.559 4.909 4.350 0.000 0.000 0.265 85 E C -0.643 175.892 176.600 -0.108 0.000 0.882 85 E CA -0.731 55.565 56.400 -0.174 0.000 0.759 85 E CB 2.143 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 2.736 125.504 122.820 -0.087 0.000 2.584 86 A HA 0.341 4.662 4.320 0.000 0.000 0.239 86 A C 1.254 178.811 177.584 -0.045 0.000 1.043 86 A CA 1.086 53.089 52.037 -0.057 0.000 0.756 86 A CB -0.468 18.505 19.000 -0.044 0.000 0.963 86 A HN 1.125 nan 8.150 nan 0.000 0.511 87 G N 1.388 110.166 108.800 -0.035 0.000 2.189 87 G HA2 -0.219 3.741 3.960 0.000 0.000 0.267 87 G HA3 -0.219 3.741 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 0.818 45.903 45.100 -0.025 0.000 0.644 87 G HN 0.757 nan 8.290 nan 0.000 0.537 88 K N 1.047 121.424 120.400 -0.039 0.000 2.244 88 K HA 0.494 4.815 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 0.253 63.342 63.100 -0.019 0.000 0.786 89 P CB 0.814 32.513 31.700 -0.001 0.000 0.927 90 G N 1.049 109.828 108.800 -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 -0.206 174.634 174.900 -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 -3.923 115.911 119.914 -0.134 0.000 3.165 91 V HA 0.966 5.086 4.120 0.000 0.000 0.309 91 V C -0.498 175.514 176.094 -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 -1.259 175.298 176.600 -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 -1.262 54.928 56.400 -0.350 0.000 0.784 93 E CB 2.309 31.961 29.700 -0.080 0.000 1.301 93 E HN 0.623 nan 8.360 nan 0.000 0.454 94 G N 0.247 108.387 108.800 -1.099 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 -1.797 172.803 174.900 -0.500 0.000 1.291 94 G CA -1.021 43.668 45.100 -0.685 0.000 0.841 94 G HN 0.402 nan 8.290 nan 0.000 0.500 95 L N -0.147 121.055 121.223 -0.035 0.000 2.381 95 L HA 0.741 5.081 4.340 0.000 0.000 0.268 95 L C -0.613 176.380 176.870 0.204 0.000 0.997 95 L CA -1.192 53.725 54.840 0.129 0.000 0.818 95 L CB 2.316 44.434 42.059 0.099 0.000 1.310 95 L HN 0.333 nan 8.230 nan 0.000 0.416 96 V N 0.870 120.909 119.914 0.209 0.000 2.448 96 V HA 0.188 4.308 4.120 0.000 0.000 0.295 96 V C -0.721 175.425 176.094 0.087 0.000 1.025 96 V CA -0.508 61.873 62.300 0.135 0.000 0.859 96 V CB 2.015 33.915 31.823 0.128 0.000 0.988 96 V HN 0.721 nan 8.190 nan 0.000 0.431 97 D N 3.808 124.240 120.400 0.055 0.000 2.365 97 D HA 0.284 4.925 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 0.933 41.751 40.800 0.030 0.000 1.050 97 D HN 0.446 nan 8.370 nan 0.000 0.491 98 L N 3.428 124.672 121.223 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 41.647 42.059 0.025 0.000 0.896 98 L HN 0.556 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 2.120 54.164 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 -1.193 114.516 115.700 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 0.140 58.350 58.200 0.016 0.000 0.921 100 S CB -0.590 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 4.149 4.340 0.000 0.000 0.481 101 L C 0.050 176.931 176.870 0.019 0.000 1.232 101 L CA 0.527 55.377 54.840 0.016 0.000 0.736 101 L CB -2.353 39.713 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 -0.405 174.191 174.600 -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 3.254 123.124 119.914 -0.074 0.000 2.439 103 V HA 0.215 4.336 4.120 0.000 0.000 0.271 103 V C 1.172 177.202 176.094 -0.106 0.000 1.040 103 V CA -0.122 62.081 62.300 -0.161 0.000 1.002 103 V CB 0.183 31.635 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 0.529 4.699 4.170 0.000 0.000 0.334 104 I C 0.550 176.666 176.117 -0.001 0.000 1.308 104 I CA 0.285 61.582 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 0.628 120.823 120.200 -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 2.389 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 -0.684 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 1.733 122.290 120.500 0.095 0.000 2.663 107 R HA 0.833 5.173 4.340 0.000 0.000 0.267 107 R C -1.555 174.790 176.300 0.075 0.000 1.038 107 R CA -1.194 54.960 56.100 0.089 0.000 0.886 107 R CB 1.111 31.448 30.300 0.062 0.000 1.249 107 R HN 0.696 nan 8.270 nan 0.000 0.463 108 A N 2.220 125.081 122.820 0.067 0.000 2.301 108 A HA 0.675 4.995 4.320 0.000 0.000 0.312 108 A C -1.044 176.548 177.584 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 19.898 19.000 0.042 0.000 1.134 108 A HN 0.415 nan 8.150 nan 0.000 0.501 109 L N 2.564 123.774 121.223 -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 0.788 42.814 42.059 -0.054 0.000 1.227 109 L HN 0.920 nan 8.230 nan 0.000 0.454 110 E N 0.153 120.346 120.200 -0.012 0.000 2.427 110 E HA -0.046 4.304 4.350 0.000 0.000 0.196 110 E C 0.537 177.141 176.600 0.006 0.000 1.028 110 E CA 0.998 57.393 56.400 -0.008 0.000 0.864 110 E CB 0.330 30.033 29.700 0.005 0.000 0.813 110 E HN 0.627 nan 8.360 nan 0.000 0.514 111 T N -1.394 113.171 114.554 0.018 0.000 3.275 111 T HA 0.426 4.776 4.350 0.000 0.000 0.265 111 T C -0.164 174.571 174.700 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 0.778 120.706 119.914 0.023 0.000 3.078 112 V HA 0.619 4.739 4.120 0.000 0.000 0.311 112 V C -1.608 174.483 176.094 -0.005 0.000 1.138 112 V CA -0.791 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 0.384 nan 8.190 nan 0.000 0.432 113 Q N 3.989 123.812 119.800 0.039 0.000 2.356 113 Q HA 0.538 4.878 4.340 0.000 0.000 0.270 113 Q C -2.693 173.337 176.000 0.050 0.000 1.058 113 Q CA -1.847 53.971 55.803 0.025 0.000 0.802 113 Q CB 2.749 31.524 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 0.053 177.421 177.300 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 0.068 0.000 1.154 115 I N 0.209 120.871 120.570 0.154 0.000 2.880 115 I HA -0.078 4.092 4.170 0.000 0.000 0.296 115 I C -0.019 176.174 176.117 0.126 0.000 1.220 115 I CA 0.002 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 0.230 4.571 4.340 0.000 0.000 0.287 116 L C 0.670 177.623 176.870 0.138 0.000 1.072 116 L CA -0.439 54.482 54.840 0.135 0.000 0.819 116 L CB 0.780 42.960 42.059 0.202 0.000 1.176 116 L HN 0.680 nan 8.230 nan 0.000 0.435 117 T N -0.489 114.069 114.554 0.007 0.000 2.816 117 T HA 0.197 4.547 4.350 0.000 0.000 0.282 117 T C 1.393 176.015 174.700 -0.131 0.000 0.993 117 T CA -0.885 61.087 62.100 -0.215 0.000 0.994 117 T CB 1.437 70.100 68.868 -0.342 0.000 1.025 117 T HN 0.194 nan 8.240 nan 0.000 0.529 118 V N 1.288 121.080 119.914 -0.204 0.000 2.392 118 V HA -0.147 3.973 4.120 0.000 0.000 0.249 118 V C 2.810 178.877 176.094 -0.045 0.000 1.059 118 V CA 2.116 64.367 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 -0.238 119.922 120.200 -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 -0.182 29.501 29.700 -0.028 0.000 0.750 119 E HN 0.602 nan 8.360 nan 0.000 0.458 120 D N 0.562 120.953 120.400 -0.015 0.000 2.144 120 D HA -0.132 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 0.193 nan 8.370 nan 0.000 0.465 121 L N 0.635 121.880 121.223 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 0.320 55.192 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 -1.051 118.268 119.300 0.031 0.000 2.411 122 C HA -0.095 4.365 4.460 0.000 0.000 0.279 122 C C 2.919 177.930 174.990 0.034 0.000 1.288 122 C CA 0.628 59.667 59.018 0.034 0.000 1.764 122 C CB -1.264 26.492 27.740 0.025 0.000 1.974 122 C HN 0.588 nan 8.230 nan 0.000 0.498 123 S N 0.071 115.789 115.700 0.029 0.000 2.501 123 S HA -0.034 4.436 4.470 0.000 0.000 0.220 123 S C 1.446 176.063 174.600 0.028 0.000 0.997 123 S CA 1.200 59.414 58.200 0.023 0.000 0.919 123 S CB -1.049 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 2.658 117.236 114.554 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 1.857 63.985 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 0.397 120.627 120.200 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 1.191 57.613 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 -0.132 120.071 120.200 0.003 0.000 2.106 126 E HA -0.127 4.223 4.350 0.000 0.000 0.192 126 E C 1.926 178.529 176.600 0.005 0.000 0.984 126 E CA 0.864 57.261 56.400 -0.005 0.000 0.806 126 E CB -0.149 29.549 29.700 -0.003 0.000 0.750 126 E HN 0.246 nan 8.360 nan 0.000 0.458 127 V N 0.986 120.908 119.914 0.013 0.000 2.358 127 V HA -0.192 3.929 4.120 0.000 0.000 0.246 127 V C 2.123 178.229 176.094 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 -1.475 119.115 120.570 0.033 0.000 2.439 128 I HA -0.110 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 1.525 62.856 61.300 0.052 0.000 1.438 128 I CB -0.749 37.300 38.000 0.081 0.000 1.085 128 I HN 0.130 nan 8.210 nan 0.000 0.427 129 R N 1.302 121.820 120.500 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 1.511 57.624 56.100 0.022 0.000 0.975 129 R CB -0.367 29.928 30.300 -0.007 0.000 0.866 129 R HN 0.530 nan 8.270 nan 0.000 0.446 130 N N 0.740 119.449 118.700 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 0.221 53.277 53.050 0.009 0.000 0.845 130 N CB 0.374 38.863 38.487 0.004 0.000 0.980 130 N HN 0.178 nan 8.380 nan 0.000 0.486 131 D N 0.735 121.141 120.400 0.009 0.000 2.277 131 D HA 0.190 4.830 4.640 0.000 0.000 0.249 131 D C -1.618 174.675 176.300 -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 42.808 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 0.842 178.108 177.300 -0.056 0.000 1.153 132 P CA 1.408 64.489 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 1.763 53.735 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 0.025 nan 8.150 nan 0.000 0.443 134 V N 0.304 120.158 119.914 -0.099 0.000 2.358 134 V HA -0.263 3.857 4.120 0.000 0.000 0.246 134 V C 2.425 178.458 176.094 -0.101 0.000 1.047 134 V CA 1.976 64.221 62.300 -0.091 0.000 1.035 134 V CB -0.693 31.165 31.823 0.057 0.000 0.658 134 V HN 0.572 nan 8.190 nan 0.000 0.452 135 I N 0.141 120.682 120.570 -0.049 0.000 2.163 135 I HA -0.309 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 2.176 63.457 61.300 -0.031 0.000 1.347 135 I CB -0.419 37.571 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 1.199 57.525 56.400 -0.123 0.000 0.801 136 E CB 0.095 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 2.378 178.170 176.000 -0.348 0.000 0.970 137 Q CA 1.175 56.647 55.803 -0.552 0.000 0.855 137 Q CB -0.599 27.359 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 0.333 59.384 59.018 0.055 0.000 1.727 138 C CB -0.907 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 0.681 120.574 119.914 -0.035 0.000 2.287 139 V HA -0.201 3.919 4.120 0.000 0.000 0.248 139 V C 2.379 178.450 176.094 -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 2.302 179.155 176.870 -0.028 0.000 1.100 140 L CA 1.767 56.574 54.840 -0.055 0.000 0.765 140 L CB -0.848 41.159 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 0.161 63.435 63.200 0.125 0.000 0.776 141 S HN 0.611 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 3.778 3.960 0.000 0.000 0.203 142 G HA3 -0.183 3.778 3.960 0.000 0.000 0.203 142 G C -0.107 174.742 174.900 -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 1.545 122.074 120.570 -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 -2.487 58.771 61.300 -0.071 0.000 1.135 143 I CB 2.115 40.075 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 0.560 177.882 177.300 0.038 0.000 1.195 144 P CA 0.078 63.191 63.100 0.022 0.000 0.768 144 P CB 0.906 32.626 31.700 0.034 0.000 0.838 145 A N 3.844 126.681 122.820 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 1.901 53.958 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 -1.327 117.414 118.700 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 38.647 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 0.741 177.353 176.600 0.020 0.000 0.986 147 E CA -0.289 56.187 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 1.907 178.212 176.300 0.008 0.000 1.064 148 M CA 1.383 56.724 55.300 0.067 0.000 1.093 148 M CB -1.001 31.642 32.600 0.071 0.000 1.401 148 M HN 0.352 nan 8.290 nan 0.000 0.440 149 H N -1.037 118.020 119.070 -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 56.703 56.048 -0.091 0.000 1.195 149 H CB -0.457 29.272 29.762 -0.056 0.000 1.368 149 H HN 0.362 nan 8.280 nan 0.000 0.592 150 K N 0.836 120.964 120.400 -0.452 0.000 2.367 150 K HA 0.214 4.534 4.320 0.000 0.000 0.194 150 K C 0.022 176.652 176.600 0.050 0.000 1.027 150 K CA -0.074 56.067 56.287 -0.244 0.000 1.075 150 K CB 1.255 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 -0.000 0.000 1.045 151 V CA -0.449 61.946 62.300 0.160 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 2.610 122.953 120.300 0.072 0.000 2.634 152 Y HA 0.788 5.338 4.550 0.000 0.000 0.340 152 Y C 0.174 176.142 175.900 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 -0.961 118.519 119.300 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 1.320 29.146 27.740 0.144 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.702 125.326 120.400 0.372 0.000 2.313 154 D HA 0.453 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 1.836 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 1.234 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 1.937 116.788 114.554 0.496 0.000 2.900 157 T HA 0.054 4.404 4.350 0.000 0.000 0.307 157 T C 0.977 175.810 174.700 0.221 0.000 1.065 157 T CA -0.183 62.058 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 2.519 123.162 120.570 0.121 0.000 3.176 158 I HA 0.121 4.291 4.170 0.000 0.000 0.275 158 I C 1.652 177.803 176.117 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 -0.012 174.994 174.900 0.176 0.000 1.427 159 G CA 0.583 45.677 45.100 -0.009 0.000 1.024 159 G HN 0.444 nan 8.290 nan 0.000 0.754 160 Y N 1.778 122.115 120.300 0.063 0.000 2.376 160 Y HA 0.563 5.113 4.550 0.000 0.000 0.321 160 Y C -2.176 173.781 175.900 0.096 0.000 1.189 160 Y CA -0.589 57.569 58.100 0.096 0.000 1.069 160 Y CB 1.973 40.489 38.460 0.093 0.000 1.292 160 Y HN 0.465 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 0.017 0.000 1.207 161 D HN 0.847 nan 8.370 nan 0.000 0.558 162 E N 3.636 123.479 120.200 -0.595 0.000 2.396 162 E HA -0.192 4.159 4.350 0.000 0.000 0.200 162 E C 0.807 177.211 176.600 -0.326 0.000 1.023 162 E CA 0.634 56.831 56.400 -0.338 0.000 0.857 162 E CB -0.012 29.653 29.700 -0.059 0.000 0.775 162 E HN 0.471 nan 8.360 nan 0.000 0.525 163 R N -0.819 119.389 120.500 -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 1.190 56.776 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 1.009 177.482 176.519 -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 29.354 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 2.318 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 -1.625 113.044 114.554 0.192 0.000 3.134 166 T HA 0.496 4.846 4.350 0.000 0.000 0.260 166 T C 2.137 176.904 174.700 0.111 0.000 1.027 166 T CA 1.021 63.214 62.100 0.154 0.000 0.913 166 T CB 0.664 69.625 68.868 0.156 0.000 1.046 166 T HN 1.600 nan 8.240 nan 0.000 0.553 167 G N 1.888 110.762 108.800 0.124 0.000 2.450 167 G HA2 -0.040 3.920 3.960 0.000 0.000 0.220 167 G HA3 -0.040 3.920 3.960 0.000 0.000 0.220 167 G C 0.469 175.413 174.900 0.075 0.000 1.130 167 G CA 0.332 45.494 45.100 0.104 0.000 0.760 167 G HN 0.515 nan 8.290 nan 0.000 0.557 168 K N -0.871 119.567 120.400 0.064 0.000 2.435 168 K HA 0.410 4.730 4.320 0.000 0.000 0.251 168 K C -0.850 175.742 176.600 -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 34.850 32.500 -0.075 0.000 1.292 168 K HN -0.042 nan 8.250 nan 0.000 0.436 169 R N 2.785 123.269 120.500 -0.025 0.000 2.210 169 R HA 0.228 4.569 4.340 0.000 0.000 0.338 169 R C -1.056 175.219 176.300 -0.043 0.000 1.062 169 R CA -0.397 55.694 56.100 -0.015 0.000 0.902 169 R CB 0.213 30.507 30.300 -0.011 0.000 1.050 169 R HN 0.278 nan 8.270 nan 0.000 0.461 170 L N 2.894 124.093 121.223 -0.039 0.000 2.319 170 L HA 0.494 4.834 4.340 0.000 0.000 0.267 170 L C -0.248 176.618 176.870 -0.006 0.000 1.011 170 L CA -0.643 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 0.685 120.482 119.800 -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 32.082 28.738 0.091 0.000 1.419 171 Q HN 0.621 nan 8.270 nan 0.000 0.427 172 Q N -0.095 119.761 119.800 0.093 0.000 2.377 172 Q HA 0.847 5.187 4.340 0.000 0.000 0.271 172 Q C -1.549 174.488 176.000 0.061 0.000 1.077 172 Q CA -1.071 54.755 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 3.807 126.638 122.820 0.019 0.000 2.291 173 A HA 0.496 4.816 4.320 0.000 0.000 0.311 173 A C -0.584 176.956 177.584 -0.074 0.000 1.224 173 A CA -0.846 51.210 52.037 0.031 0.000 0.821 173 A CB 0.639 19.673 19.000 0.057 0.000 1.172 173 A HN 0.788 nan 8.150 nan 0.000 0.494 174 L N 3.852 125.025 121.223 -0.084 0.000 2.283 174 L HA 0.255 4.595 4.340 0.000 0.000 0.287 174 L C -0.380 176.372 176.870 -0.195 0.000 1.073 174 L CA -0.506 54.212 54.840 -0.203 0.000 0.822 174 L CB 0.818 42.779 42.059 -0.162 0.000 1.186 174 L HN 0.424 nan 8.230 nan 0.000 0.436 175 V N 4.337 123.998 119.914 -0.421 0.000 2.546 175 V HA 0.308 4.428 4.120 0.000 0.000 0.284 175 V C -0.394 175.325 176.094 -0.624 0.000 1.050 175 V CA -0.230 61.833 62.300 -0.395 0.000 0.981 175 V CB 0.899 32.403 31.823 -0.531 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.790 123.091 120.300 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 -1.244 174.793 175.900 0.229 0.000 0.976 177 Y CA -1.343 56.897 58.100 0.233 0.000 1.040 177 Y CB 1.441 40.020 38.460 0.198 0.000 1.228 177 Y HN 0.552 nan 8.280 nan 0.000 0.451 178 R N 3.291 123.382 120.500 -0.682 0.000 2.393 178 R HA 0.271 4.611 4.340 0.000 0.000 0.315 178 R C 0.616 176.201 176.300 -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 31.682 30.300 -0.654 0.000 1.163 178 R HN 0.918 nan 8.270 nan 0.000 0.450 179 S N 0.650 115.666 115.700 -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 0.771 58.614 58.200 -0.595 0.000 0.957 179 S CB 0.037 63.064 63.200 -0.290 0.000 0.784 179 S HN 0.669 nan 8.310 nan 0.000 0.499 180 D N -0.063 120.053 120.400 -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 1.545 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 1.489 121.589 120.200 -0.168 0.000 2.209 181 E HA -0.240 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 0.884 41.283 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 -0.674 57.413 58.200 -0.189 0.000 1.089 184 S CB 0.503 63.624 63.200 -0.133 0.000 0.968 184 S HN 0.360 nan 8.310 nan 0.000 0.480 185 Q N 4.156 123.774 119.800 -0.302 0.000 2.291 185 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 185 Q C 0.427 176.279 176.000 -0.248 0.000 0.976 185 Q CA 1.590 57.215 55.803 -0.296 0.000 0.875 185 Q CB -0.620 27.788 28.738 -0.549 0.000 0.927 185 Q HN 0.887 nan 8.270 nan 0.000 0.450 186 Y N 2.184 122.438 120.300 -0.077 0.000 2.556 186 Y HA -0.129 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 0.014 0.000 1.329 186 Y CB -0.153 38.327 38.460 0.033 0.000 0.975 186 Y HN 0.373 nan 8.280 nan 0.000 0.561 187 S N -1.881 114.052 115.700 0.389 0.000 2.558 187 S HA -0.013 4.457 4.470 0.000 0.000 0.217 187 S C 0.152 174.814 174.600 0.103 0.000 0.975 187 S CA 0.218 58.616 58.200 0.331 0.000 0.912 187 S CB -0.338 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 2.272 121.392 119.070 0.083 0.000 2.386 188 H HA 0.458 5.014 4.556 0.000 0.000 0.232 188 H C -2.828 172.615 175.328 0.191 0.000 1.416 188 H CA -1.823 54.284 56.048 0.098 0.000 1.285 188 H CB 0.767 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 -0.056 177.095 177.300 -0.248 0.000 1.240 189 P CA -0.298 62.698 63.100 -0.173 0.000 0.798 189 P CB 1.995 33.557 31.700 -0.230 0.000 0.979 190 L N 1.719 122.720 121.223 -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 -0.426 54.225 54.840 -0.315 0.000 0.799 190 L CB 0.680 42.489 42.059 -0.416 0.000 1.240 190 L HN 0.391 nan 8.230 nan 0.000 0.461 191 D N -0.625 119.684 120.400 -0.150 0.000 2.348 191 D HA -0.040 4.601 4.640 0.000 0.000 0.211 191 D C 0.150 176.589 176.300 0.231 0.000 0.998 191 D CA 0.247 54.261 54.000 0.024 0.000 0.873 191 D CB -0.069 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 -0.570 119.429 119.950 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 -2.237 55.802 58.000 0.064 0.000 0.989 192 F CB 1.059 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 3.649 123.058 119.300 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 0.156 0.000 1.102 193 C CA -2.018 57.031 59.018 0.051 0.000 1.413 193 C CB 0.218 27.932 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 -0.102 63.090 63.100 0.153 0.000 0.781 194 P CB 0.491 32.285 31.700 0.158 0.000 0.906 195 I N 3.368 123.985 120.570 0.080 0.000 2.362 195 I HA 0.283 4.453 4.170 0.000 0.000 0.289 195 I C -0.126 175.950 176.117 -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 -0.800 61.462 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 2.969 123.309 120.400 -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 1.830 42.573 40.800 -0.095 0.000 1.076 197 D HN 0.618 nan 8.370 nan 0.000 0.483 198 T N 3.245 117.775 114.554 -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 0.540 120.725 120.200 -0.024 0.000 2.047 199 E HA -0.152 4.198 4.350 0.000 0.000 0.191 199 E C 1.916 178.503 176.600 -0.021 0.000 0.987 199 E CA 0.870 57.256 56.400 -0.024 0.000 0.799 199 E CB 0.104 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 0.683 120.868 120.200 -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 0.234 56.622 56.400 -0.021 0.000 0.865 200 E CB 0.070 29.756 29.700 -0.024 0.000 0.833 200 E HN 0.223 nan 8.360 nan 0.000 0.510 201 K N 1.140 121.530 120.400 -0.017 0.000 3.419 201 K HA -0.229 4.091 4.320 0.000 0.000 0.272 201 K C -0.284 176.310 176.600 -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 30.921 32.500 -0.004 0.000 1.403 201 K HN 0.308 nan 8.250 nan 0.000 0.456 202 K N -2.488 117.902 120.400 -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 1.500 33.992 32.500 -0.013 0.000 1.424 202 K HN -0.096 nan 8.250 nan 0.000 0.427 203 V N 3.476 123.384 119.914 -0.010 0.000 2.508 203 V HA 0.081 4.201 4.120 0.000 0.000 0.281 203 V C 1.231 177.321 176.094 -0.007 0.000 1.041 203 V CA -0.098 62.198 62.300 -0.007 0.000 1.016 203 V CB 0.277 32.105 31.823 0.008 0.000 0.984 203 V HN 0.843 nan 8.190 nan 0.000 0.478 204 I N 1.531 122.089 120.570 -0.020 0.000 4.057 204 I HA 0.551 4.721 4.170 0.000 0.000 0.334 204 I C 0.104 176.336 176.117 0.193 0.000 1.308 204 I CA 0.401 61.712 61.300 0.018 0.000 1.125 204 I CB 0.425 38.360 38.000 -0.108 0.000 1.034 204 I HN 0.469 nan 8.210 nan 0.000 0.401 205 F N 1.001 120.938 119.950 -0.022 0.000 2.769 205 F HA 0.598 5.126 4.527 0.000 0.000 0.313 205 F C -2.058 173.787 175.800 0.073 0.000 1.146 205 F CA -0.973 57.073 58.000 0.076 0.000 0.934 205 F CB 1.580 40.715 39.000 0.226 0.000 1.283 205 F HN -0.231 nan 8.300 nan 0.000 0.443 206 I N 3.675 124.053 120.570 -0.320 0.000 2.500 206 I HA 0.267 4.438 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 7.638 128.225 120.400 0.311 0.000 2.343 207 D HA 0.414 5.054 4.640 0.000 0.000 0.255 207 D C -0.238 176.208 176.300 0.244 0.000 1.187 207 D CA 0.399 54.628 54.000 0.380 0.000 0.875 207 D CB 1.640 42.670 40.800 0.384 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 40.128 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 -0.239 177.120 177.300 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 0.753 119.501 118.700 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 0.991 54.072 53.050 0.052 0.000 0.852 210 N CB -0.033 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 3.510 124.044 120.500 0.058 0.000 2.441 212 R HA 0.261 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 0.702 31.024 30.300 0.038 0.000 1.016 212 R HN 0.476 nan 8.270 nan 0.000 0.477 213 R N 1.535 122.054 120.500 0.031 0.000 2.483 213 R HA 0.294 4.634 4.340 0.000 0.000 0.303 213 R C -0.398 175.897 176.300 -0.010 0.000 0.987 213 R CA -0.478 55.619 56.100 -0.006 0.000 0.881 213 R CB 1.815 32.085 30.300 -0.049 0.000 1.177 213 R HN 0.352 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 0.283 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 -0.734 55.546 56.287 -0.011 0.000 0.929 214 K CB 0.837 33.328 32.500 -0.015 0.000 0.998 214 K HN 0.152 nan 8.250 nan 0.000 0.479 215 V N 1.652 121.544 119.914 -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 0.182 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 -0.174 58.025 58.200 -0.003 0.000 1.055 216 S CB 0.293 63.315 63.200 -0.297 0.000 0.868 216 S HN 0.764 nan 8.310 nan 0.000 0.506 217 K N 2.147 122.600 120.400 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 0.094 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 1.179 120.361 119.070 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 0.149 56.317 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 -0.161 nan 8.280 nan 0.000 0.602 219 K N 0.860 121.528 120.400 0.448 0.000 2.276 219 K HA 0.074 4.394 4.320 0.000 0.000 0.259 219 K C -0.437 176.458 176.600 0.492 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 -0.030 119.143 119.070 0.172 0.000 2.707 220 H HA 0.145 4.701 4.556 0.000 0.000 0.359 220 H C -0.263 175.042 175.328 -0.039 0.000 1.113 220 H CA 0.134 56.233 56.048 0.085 0.000 1.422 220 H CB 0.842 30.500 29.762 -0.174 0.000 1.443 220 H HN 0.653 nan 8.280 nan 0.000 0.591 221 A N 4.379 127.095 122.820 -0.172 0.000 2.527 221 A HA 0.204 4.525 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 -0.548 17.940 19.000 -0.853 0.000 1.137 221 A HN 0.666 nan 8.150 nan 0.000 0.542 222 N N 0.947 119.477 118.700 -0.283 0.000 2.485 222 N HA 0.642 5.382 4.740 0.000 0.000 0.280 222 N C -0.150 175.248 175.510 -0.187 0.000 1.205 222 N CA -0.379 52.382 53.050 -0.483 0.000 0.959 222 N CB 1.190 39.034 38.487 -1.072 0.000 1.206 222 N HN 0.582 nan 8.380 nan 0.000 0.545 223 F N -2.366 117.570 119.950 -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 0.004 0.000 1.126 223 F CB -0.546 38.379 39.000 -0.126 0.000 1.145 223 F HN 0.191 nan 8.300 nan 0.000 0.541 224 Y N 2.600 123.041 120.300 0.237 0.000 2.314 224 Y HA 0.326 4.876 4.550 0.000 0.000 0.334 224 Y C -1.051 174.891 175.900 0.071 0.000 1.266 224 Y CA -1.585 56.612 58.100 0.163 0.000 1.391 224 Y CB 0.186 38.648 38.460 0.003 0.000 1.306 224 Y HN -0.228 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 2.747 65.894 63.100 0.079 0.000 0.880 225 P CB 0.121 31.857 31.700 0.061 0.000 0.791 226 K N -1.068 119.298 120.400 -0.056 0.000 2.097 226 K HA -0.209 4.111 4.320 0.000 0.000 0.206 226 K C 1.723 178.264 176.600 -0.098 0.000 1.049 226 K CA 1.719 57.930 56.287 -0.128 0.000 0.933 226 K CB -1.168 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 0.038 119.129 119.070 0.036 0.000 2.363 227 H HA 0.065 4.621 4.556 0.000 0.000 0.301 227 H C 2.153 177.503 175.328 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 0.254 119.957 119.600 0.172 0.000 2.159 228 M HA -0.117 4.363 4.480 0.000 0.000 0.263 228 M C 2.277 178.625 176.300 0.081 0.000 1.063 228 M CA 1.260 56.630 55.300 0.116 0.000 1.110 228 M CB -0.660 31.999 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 37.702 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 4.107 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 0.991 57.430 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 1.104 177.749 176.600 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 32.673 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 0.744 32.599 31.823 0.053 0.000 1.159 232 V HN 0.304 nan 8.190 nan 0.000 0.454 233 G N 0.225 109.049 108.800 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 -2.639 120.199 122.820 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 51.474 52.037 0.028 0.000 0.626 234 A CB 0.295 19.308 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 0.565 176.877 176.300 0.019 0.000 1.144 235 M CA 0.049 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 0.708 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 4.700 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 -1.353 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 0.390 nan 8.270 nan 0.000 0.500 237 P HA -0.043 nan 4.420 nan 0.000 0.270 237 P C -0.746 176.558 177.300 0.006 0.000 1.223 237 P CA -0.199 62.906 63.100 0.008 0.000 0.785 237 P CB 0.473 32.178 31.700 0.007 0.000 0.923 238 E N 1.163 121.367 120.200 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 0.001 29.704 29.700 0.005 0.000 0.955 238 E HN 0.451 nan 8.360 nan 0.000 0.455 239 A N 5.496 128.317 122.820 0.002 0.000 2.304 239 A HA 0.474 4.794 4.320 0.000 0.000 0.271 239 A C -2.058 175.527 177.584 0.002 0.000 1.091 239 A CA -1.334 50.704 52.037 0.002 0.000 0.812 239 A CB -0.157 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 -2.196 175.105 177.300 0.002 0.000 1.193 240 P CA -0.403 62.699 63.100 0.002 0.000 0.765 240 P CB -0.046 31.655 31.700 0.002 0.000 0.823 241 P HA 0.227 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 0.137 63.239 63.100 0.003 0.000 0.784 241 P CB 0.949 32.651 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 -0.642 60.660 61.300 0.003 0.000 1.142 242 I CB 0.819 38.820 38.000 0.001 0.000 1.266 242 I HN 0.174 nan 8.210 nan 0.000 0.461 243 N N 5.915 124.620 118.700 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 -0.356 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 0.153 nan 8.380 nan 0.000 0.472 244 V N 1.562 121.485 119.914 0.015 0.000 2.409 244 V HA 0.495 4.615 4.120 0.000 0.000 0.291 244 V C 0.187 176.295 176.094 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 33.159 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 2.323 71.202 68.868 0.019 0.000 1.103 245 T HN 0.501 nan 8.240 nan 0.000 0.486 246 Q N 1.731 121.547 119.800 0.028 0.000 3.122 246 Q HA 0.251 4.591 4.340 0.000 0.000 0.282 246 Q C -1.760 174.248 176.000 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 1.425 64.529 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 -0.343 119.857 120.200 0.000 0.000 2.451 248 E HA 0.366 4.716 4.350 0.000 0.000 0.194 248 E C 0.957 177.545 176.600 -0.020 0.000 1.027 248 E CA 0.017 56.413 56.400 -0.007 0.000 0.914 248 E CB 0.084 29.782 29.700 -0.003 0.000 1.054 248 E HN 0.266 nan 8.360 nan 0.000 0.461 249 G N 0.869 109.655 108.800 -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 -0.080 174.778 174.900 -0.070 0.000 1.345 249 G CA -0.464 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 -2.803 117.013 119.914 -0.164 0.000 3.093 250 V HA 0.883 5.003 4.120 0.000 0.000 0.320 250 V C 1.440 177.423 176.094 -0.185 0.000 1.093 250 V CA 0.862 63.034 62.300 -0.213 0.000 1.016 250 V CB 1.502 32.975 31.823 -0.583 0.000 1.096 250 V HN 2.299 nan 8.190 nan 0.000 0.452 251 S N 0.887 116.575 115.700 -0.019 0.000 2.524 251 S HA 0.209 4.679 4.470 0.000 0.000 0.216 251 S C 0.516 175.216 174.600 0.166 0.000 0.987 251 S CA -0.027 58.220 58.200 0.077 0.000 0.909 251 S CB -0.655 62.644 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 0.060 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 4.171 124.720 120.400 0.249 0.000 2.463 253 K HA 0.428 4.748 4.320 0.000 0.000 0.255 253 K C -1.473 175.171 176.600 0.072 0.000 0.942 253 K CA -0.743 55.602 56.287 0.098 0.000 0.814 253 K CB 1.152 33.674 32.500 0.036 0.000 1.122 253 K HN 0.803 nan 8.250 nan 0.000 0.425 254 M N 3.194 122.820 119.600 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 1.787 34.234 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 4.159 112.982 108.800 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 0.696 175.572 174.900 -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 0.404 175.650 175.510 -0.440 0.000 1.114 257 N CA 0.574 53.426 53.050 -0.329 0.000 0.859 257 N CB 1.015 39.172 38.487 -0.549 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 5.390 124.663 119.600 -0.545 0.000 2.363 259 M HA 0.526 5.006 4.480 0.000 0.000 0.343 259 M C -0.555 175.465 176.300 -0.466 0.000 1.165 259 M CA 0.168 55.076 55.300 -0.654 0.000 1.046 259 M CB 1.297 33.128 32.600 -1.282 0.000 1.648 259 M HN 0.648 nan 8.290 nan 0.000 0.452 260 E N 3.678 123.767 120.200 -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 56.123 56.400 -0.015 0.000 0.789 260 E CB 1.688 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 2.610 123.919 121.300 0.015 0.000 3.827 261 W HA 0.193 4.853 4.660 0.000 0.000 0.307 261 W C -0.260 176.353 176.519 0.158 0.000 1.204 261 W CA -0.394 57.013 57.345 0.103 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 1.986 59.724 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 -2.417 116.025 118.700 -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 1.729 54.383 53.050 -0.660 0.000 1.030 263 N CB -1.493 36.207 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 -0.110 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 4.508 125.171 120.400 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 55.934 56.287 0.210 0.000 0.796 265 K CB 1.473 34.048 32.500 0.125 0.000 1.216 265 K HN 0.515 nan 8.250 nan 0.000 0.432 266 F N -0.317 119.646 119.950 0.022 0.000 2.741 266 F HA 0.388 4.915 4.527 0.000 0.000 0.311 266 F C -1.476 174.311 175.800 -0.021 0.000 1.149 266 F CA -1.182 56.829 58.000 0.019 0.000 0.930 266 F CB 0.909 39.888 39.000 -0.035 0.000 1.312 266 F HN 0.407 nan 8.300 nan 0.000 0.450 267 H N 2.571 121.690 119.070 0.081 0.000 2.488 267 H HA 0.535 5.091 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 1.402 30.992 29.762 -0.286 0.000 1.425 267 H HN 0.735 nan 8.280 nan 0.000 0.471 268 I N 5.676 125.962 120.570 -0.475 0.000 2.287 268 I HA 0.215 4.385 4.170 0.000 0.000 0.290 268 I C 1.027 176.995 176.117 -0.248 0.000 1.069 268 I CA -0.307 60.862 61.300 -0.218 0.000 1.237 268 I CB 0.957 38.848 38.000 -0.181 0.000 1.418 268 I HN 0.546 nan 8.210 nan 0.000 0.481 269 G N 5.204 114.023 108.800 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 -1.493 173.531 174.900 0.206 0.000 1.240 269 G CA -0.317 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 0.439 120.415 119.950 0.043 0.000 2.669 270 F HA 0.443 4.970 4.527 0.000 0.000 0.315 270 F C -1.281 174.588 175.800 0.116 0.000 1.109 270 F CA -0.946 57.087 58.000 0.054 0.000 1.028 270 F CB 1.920 40.946 39.000 0.044 0.000 1.287 270 F HN 0.817 nan 8.300 nan 0.000 0.452 271 N N 2.301 120.920 118.700 -0.135 0.000 2.525 271 N HA 0.250 4.990 4.740 0.000 0.000 0.270 271 N C 0.147 175.611 175.510 -0.076 0.000 1.321 271 N CA -0.499 52.628 53.050 0.129 0.000 0.797 271 N CB 0.428 38.990 38.487 0.125 0.000 1.529 271 N HN 0.524 nan 8.380 nan 0.000 0.491 272 Y N -0.829 119.385 120.300 -0.143 0.000 2.298 272 Y HA -0.032 4.518 4.550 0.000 0.000 0.287 272 Y C 2.039 177.485 175.900 -0.755 0.000 1.164 272 Y CA 1.471 59.079 58.100 -0.820 0.000 1.229 272 Y CB -0.395 37.186 38.460 -1.464 0.000 0.977 272 Y HN 0.657 nan 8.280 nan 0.000 0.538 273 R N 0.335 119.936 120.500 -1.497 0.000 2.056 273 R HA 0.056 4.396 4.340 0.000 0.000 0.215 273 R C 2.042 177.919 176.300 -0.706 0.000 1.205 273 R CA 1.053 56.404 56.100 -1.247 0.000 1.020 273 R CB -0.018 29.340 30.300 -1.569 0.000 0.911 273 R HN 0.426 nan 8.270 nan 0.000 0.451 274 E N -0.232 119.658 120.200 -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 -0.364 0.000 1.010 274 E CA 0.404 56.619 56.400 -0.309 0.000 0.856 274 E CB 0.366 29.977 29.700 -0.148 0.000 0.795 274 E HN 0.570 nan 8.360 nan 0.000 0.504 275 G N 1.857 110.270 108.800 -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 0.066 174.407 174.900 -0.931 0.000 1.150 275 G CA -0.216 44.276 45.100 -1.012 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 0.137 61.403 61.300 -0.057 0.000 1.430 276 I CB 0.769 38.833 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 -0.131 175.814 176.094 -0.249 0.000 1.026 277 V CA -0.532 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 4.198 125.181 121.223 -0.399 0.000 2.275 278 L HA 0.683 5.023 4.340 0.000 0.000 0.288 278 L C 0.218 176.986 176.870 -0.169 0.000 1.046 278 L CA 0.143 54.835 54.840 -0.247 0.000 0.805 278 L CB 1.566 43.382 42.059 -0.405 0.000 1.193 278 L HN 0.618 nan 8.230 nan 0.000 0.426 279 S N 0.662 116.341 115.700 -0.035 0.000 2.634 279 S HA 0.301 4.771 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 -0.632 57.493 58.200 -0.126 0.000 0.920 279 S CB 1.755 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 1.005 121.392 120.400 -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 1.381 121.431 119.914 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 4.461 120.352 115.700 0.319 0.000 2.627 282 S HA 0.777 5.247 4.470 0.000 0.000 0.283 282 S C -1.377 173.433 174.600 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 1.682 122.072 120.300 0.151 0.000 2.361 283 Y HA 0.524 5.074 4.550 0.000 0.000 0.337 283 Y C -0.583 175.366 175.900 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 40.079 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 2.720 123.249 120.400 0.216 0.000 2.517 285 D HA 0.063 4.704 4.640 0.000 0.000 0.220 285 D C -0.438 175.963 176.300 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 40.244 40.800 0.424 0.000 1.058 285 D HN 0.564 nan 8.370 nan 0.000 0.516 286 H N 1.496 120.621 119.070 0.091 0.000 2.506 286 H HA -0.195 4.362 4.556 0.000 0.000 0.323 286 H C 1.490 176.831 175.328 0.021 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 0.204 109.045 108.800 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 0.756 nan 8.290 nan 0.000 0.510 288 N N 0.821 119.559 118.700 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 -0.373 52.710 53.050 0.055 0.000 0.939 288 N CB 0.676 39.196 38.487 0.054 0.000 1.201 288 N HN 0.071 nan 8.380 nan 0.000 0.511 289 V N 4.667 124.613 119.914 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 0.035 62.378 62.300 0.072 0.000 1.000 289 V CB -0.078 31.772 31.823 0.045 0.000 1.015 289 V HN 0.596 nan 8.190 nan 0.000 0.478 290 R N 5.900 126.499 120.500 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 0.216 0.000 0.968 290 R CA -1.868 54.337 56.100 0.175 0.000 0.849 290 R CB 1.517 31.931 30.300 0.189 0.000 1.128 290 R HN 0.396 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 0.052 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 -0.585 119.915 120.570 -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 -0.605 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 0.092 119.990 119.950 -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 0.829 39.738 39.000 -0.153 0.000 1.208 293 F HN -0.017 nan 8.300 nan 0.000 0.453 294 H N 1.499 120.645 119.070 0.126 0.000 2.465 294 H HA 0.305 4.862 4.556 0.000 0.000 0.289 294 H C 0.061 175.376 175.328 -0.023 0.000 1.022 294 H CA 0.765 56.835 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 0.489 120.913 120.500 -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 -0.255 0.000 1.103 295 R CA -0.484 55.465 56.100 -0.252 0.000 0.942 295 R CB 1.861 31.991 30.300 -0.283 0.000 1.251 295 R HN 0.228 nan 8.270 nan 0.000 0.450 296 I N 2.660 123.033 120.570 -0.327 0.000 2.692 296 I HA 0.626 4.796 4.170 0.000 0.000 0.293 296 I C -1.543 174.306 176.117 -0.445 0.000 1.200 296 I CA -0.080 60.983 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 4.962 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 0.926 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 2.666 124.051 121.223 0.271 0.000 2.264 298 L HA 0.492 4.832 4.340 0.000 0.000 0.289 298 L C 1.280 178.206 176.870 0.092 0.000 1.044 298 L CA -0.169 54.800 54.840 0.215 0.000 0.807 298 L CB 1.676 43.893 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 0.193 4.663 4.470 0.000 0.000 0.215 299 S C 0.323 174.939 174.600 0.028 0.000 1.003 299 S CA -0.153 58.114 58.200 0.110 0.000 0.910 299 S CB 0.466 63.781 63.200 0.192 0.000 0.790 299 S HN 0.664 nan 8.310 nan 0.000 0.514 300 E N -0.715 119.390 120.200 -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 -0.422 55.825 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 1.427 120.984 119.600 -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 -0.853 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 0.459 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 1.975 40.001 38.000 0.044 0.000 1.307 302 I HN 0.426 nan 8.210 nan 0.000 0.424 303 V N 8.770 128.696 119.914 0.020 0.000 2.260 303 V HA 0.333 4.453 4.120 0.000 0.000 0.263 303 V C -2.252 173.881 176.094 0.065 0.000 1.036 303 V CA -1.250 61.026 62.300 -0.039 0.000 0.874 303 V CB 0.739 32.575 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 1.881 121.872 119.950 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 58.561 58.000 0.054 0.000 1.183 305 F CB 0.664 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 0.352 109.198 108.800 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 -0.075 174.733 174.900 -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 1.316 116.876 115.700 -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 1.880 64.634 63.200 -0.744 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 0.108 31.476 31.700 -0.555 0.000 0.878 309 E N 0.128 120.235 120.200 -0.154 0.000 2.360 309 E HA 0.122 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 -0.717 55.662 56.400 -0.036 0.000 0.887 309 E CB 0.244 29.991 29.700 0.079 0.000 0.990 309 E HN 0.050 nan 8.360 nan 0.000 0.426 310 F N 5.452 125.267 119.950 -0.226 0.000 2.572 310 F HA 0.060 4.587 4.527 0.000 0.000 0.370 310 F C -1.361 174.138 175.800 -0.502 0.000 1.103 310 F CA -1.429 56.407 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 -0.087 176.761 177.300 -0.753 0.000 1.651 311 P CA 0.283 62.584 63.100 -1.330 0.000 1.119 311 P CB -0.369 30.626 31.700 -1.174 0.000 1.552 312 H N 0.548 119.361 119.070 -0.430 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 29.685 29.762 -0.335 0.000 1.377 312 H HN 0.237 nan 8.280 nan 0.000 0.581 313 Q N 1.712 121.432 119.800 -0.133 0.000 2.364 313 Q HA -0.123 4.217 4.340 0.000 0.000 0.207 313 Q C 1.327 177.390 176.000 0.106 0.000 0.970 313 Q CA 1.053 56.836 55.803 -0.034 0.000 0.888 313 Q CB -0.099 28.600 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 -0.027 0.000 2.313 314 R HA 0.153 4.493 4.340 0.000 0.000 0.199 314 R C 0.107 176.390 176.300 -0.027 0.000 0.958 314 R CA 0.161 56.264 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 -0.415 176.449 176.600 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 0.172 119.458 119.070 0.360 0.000 3.225 316 H HA 0.192 4.748 4.556 0.000 0.000 0.205 316 H C -0.762 174.696 175.328 0.217 0.000 1.314 316 H CA -0.707 55.499 56.048 0.263 0.000 1.336 316 H CB -0.600 29.233 29.762 0.118 0.000 2.276 316 H HN 0.363 nan 8.280 nan 0.000 0.535 317 A N 1.904 124.849 122.820 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 51.894 52.037 0.069 0.000 0.758 317 A CB 0.141 19.148 19.000 0.010 0.000 0.991 317 A HN 0.486 nan 8.150 nan 0.000 0.502 318 L N 3.464 124.675 121.223 -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 42.721 42.059 0.064 0.000 1.370 318 L HN 0.752 nan 8.230 nan 0.000 0.426 319 D N 1.142 121.503 120.400 -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 -0.019 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 0.724 121.162 120.570 -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 62.573 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 -0.383 108.247 108.800 -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 1.420 176.175 174.900 -0.241 0.000 1.138 321 G CA 0.176 45.101 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 0.138 4.489 4.350 0.000 0.000 0.199 322 E C 0.856 177.109 176.600 -0.579 0.000 0.978 322 E CA 0.249 56.362 56.400 -0.477 0.000 0.912 322 E CB 0.379 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 -0.425 119.834 120.300 -0.069 0.000 2.640 323 Y HA 0.342 4.892 4.550 0.000 0.000 0.274 323 Y C 0.766 176.652 175.900 -0.024 0.000 1.164 323 Y CA 0.217 58.300 58.100 -0.029 0.000 1.189 323 Y CB 1.101 39.520 38.460 -0.069 0.000 1.333 323 Y HN -0.040 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 2.548 179.900 177.584 -0.388 0.000 1.156 325 A CA 2.451 53.950 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 -1.599 106.993 108.800 -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 45.882 45.100 0.014 0.000 0.804 326 G HN 0.409 nan 8.290 nan 0.000 0.534 327 Y N 0.794 120.959 120.300 -0.226 0.000 2.207 327 Y HA 0.010 4.560 4.550 0.000 0.000 0.287 327 Y C 2.840 178.772 175.900 0.053 0.000 1.156 327 Y CA 0.718 58.703 58.100 -0.192 0.000 1.182 327 Y CB -0.349 37.998 38.460 -0.187 0.000 0.979 327 Y HN 0.143 nan 8.280 nan 0.000 0.521 328 M N -1.282 118.436 119.600 0.196 0.000 2.561 328 M HA 0.006 4.486 4.480 0.000 0.000 0.238 328 M C 0.841 177.330 176.300 0.315 0.000 1.131 328 M CA 0.238 55.665 55.300 0.211 0.000 1.046 328 M CB -0.065 32.639 32.600 0.173 0.000 1.532 328 M HN -0.119 nan 8.290 nan 0.000 0.497 329 T N 2.205 116.973 114.554 0.357 0.000 2.940 329 T HA 0.071 4.421 4.350 0.000 0.000 0.309 329 T C 0.156 175.028 174.700 0.287 0.000 1.056 329 T CA -0.083 62.255 62.100 0.398 0.000 1.137 329 T CB 0.271 69.439 68.868 0.500 0.000 0.976 329 T HN 0.231 nan 8.240 nan 0.000 0.547 330 N N 5.010 123.849 118.700 0.231 0.000 2.518 330 N HA 0.361 5.101 4.740 0.000 0.000 0.283 330 N C -2.675 172.896 175.510 0.102 0.000 1.119 330 N CA -1.824 51.315 53.050 0.149 0.000 0.983 330 N CB 0.880 39.437 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 -0.295 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 2.753 123.974 121.223 -0.003 0.000 2.319 332 L HA 0.194 4.534 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 0.193 55.061 54.840 0.047 0.000 0.828 332 L CB 0.151 42.329 42.059 0.197 0.000 1.150 332 L HN 0.312 nan 8.230 nan 0.000 0.442 333 S N 4.815 120.525 115.700 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 0.310 4.651 4.340 0.000 0.000 0.280 334 L C 1.479 178.396 176.870 0.079 0.000 1.223 334 L CA 2.297 57.233 54.840 0.160 0.000 0.864 334 L CB -0.202 41.960 42.059 0.171 0.000 1.118 334 L HN 1.088 nan 8.230 nan 0.000 0.494 335 G N 3.047 111.885 108.800 0.063 0.000 2.363 335 G HA2 -0.348 3.613 3.960 0.000 0.000 0.238 335 G HA3 -0.348 3.613 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 0.495 45.612 45.100 0.029 0.000 0.629 335 G HN 0.729 nan 8.290 nan 0.000 0.514 336 C N -0.129 119.188 119.300 0.030 0.000 2.742 336 C HA 0.294 4.754 4.460 0.000 0.000 0.284 336 C C 2.366 177.374 174.990 0.030 0.000 1.481 336 C CA 1.306 60.338 59.018 0.023 0.000 1.809 336 C CB -0.724 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 0.352 176.692 176.300 0.066 0.000 0.985 337 D CA 1.221 55.263 54.000 0.069 0.000 0.826 337 D CB -0.116 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 2.016 120.640 118.600 0.041 0.000 2.293 338 c HA 0.412 4.982 4.570 0.000 0.000 0.323 338 c C 0.279 174.282 174.090 -0.144 0.000 1.240 338 c CA -1.429 54.841 56.329 -0.099 0.000 1.497 338 c CB 0.830 43.271 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 0.653 177.166 176.600 -0.144 0.000 1.013 339 K CA 0.782 57.001 56.287 -0.112 0.000 0.913 339 K CB 0.847 33.316 32.500 -0.053 0.000 1.055 339 K HN 1.106 nan 8.250 nan 0.000 0.461 340 G N 0.987 109.748 108.800 -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 2.058 121.995 119.914 0.040 0.000 2.372 341 V HA 0.450 4.570 4.120 0.000 0.000 0.261 341 V C 0.450 176.594 176.094 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 4.228 124.797 120.570 -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 1.555 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 5.727 124.704 119.070 -0.155 0.000 2.587 343 H HA 0.418 4.975 4.556 0.000 0.000 0.325 343 H C -1.633 173.570 175.328 -0.208 0.000 1.012 343 H CA -0.304 55.714 56.048 -0.051 0.000 1.213 343 H CB 0.903 30.768 29.762 0.173 0.000 1.431 343 H HN 0.365 nan 8.280 nan 0.000 0.492 344 Y N 3.805 124.116 120.300 0.020 0.000 2.453 344 Y HA 0.418 4.969 4.550 0.000 0.000 0.326 344 Y C 0.104 176.024 175.900 0.033 0.000 1.186 344 Y CA -0.687 57.433 58.100 0.034 0.000 1.200 344 Y CB 1.595 40.032 38.460 -0.038 0.000 1.247 344 Y HN 0.410 nan 8.280 nan 0.000 0.482 345 L N 2.203 123.532 121.223 0.177 0.000 2.401 345 L HA 0.469 4.809 4.340 0.000 0.000 0.266 345 L C -1.099 175.700 176.870 -0.118 0.000 0.991 345 L CA -1.017 53.838 54.840 0.025 0.000 0.818 345 L CB 2.100 44.148 42.059 -0.019 0.000 1.321 345 L HN 0.576 nan 8.230 nan 0.000 0.413 346 D N 1.037 121.314 120.400 -0.205 0.000 2.326 346 D HA 0.681 5.322 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 0.824 123.164 122.820 -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 1.215 119.958 119.070 -0.546 0.000 2.609 348 H HA 0.651 5.207 4.556 0.000 0.000 0.344 348 H C -1.394 173.744 175.328 -0.317 0.000 1.040 348 H CA -0.214 55.589 56.048 -0.408 0.000 1.216 348 H CB 1.262 30.941 29.762 -0.139 0.000 1.529 348 H HN 0.537 nan 8.280 nan 0.000 0.519 349 F N -0.118 119.990 119.950 0.265 0.000 2.814 349 F HA 0.487 5.015 4.527 0.000 0.000 0.353 349 F C 0.668 176.570 175.800 0.169 0.000 1.177 349 F CA -1.111 57.043 58.000 0.256 0.000 1.036 349 F CB 0.943 40.190 39.000 0.413 0.000 1.455 349 F HN 0.319 nan 8.300 nan 0.000 0.520 350 S N -0.367 115.560 115.700 0.378 0.000 2.532 350 S HA 0.592 5.062 4.470 0.000 0.000 0.301 350 S C -1.257 173.440 174.600 0.163 0.000 1.083 350 S CA -0.723 57.578 58.200 0.169 0.000 1.025 350 S CB 0.798 64.029 63.200 0.051 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.970 122.428 120.400 0.097 0.000 2.506 351 D HA 0.299 4.939 4.640 0.000 0.000 0.272 351 D C 1.190 177.554 176.300 0.106 0.000 1.214 351 D CA -0.747 53.302 54.000 0.081 0.000 1.067 351 D CB 0.247 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 -0.634 119.922 120.500 0.093 0.000 2.127 352 R HA -0.153 4.187 4.340 0.000 0.000 0.238 352 R C 1.676 178.103 176.300 0.210 0.000 1.134 352 R CA 1.492 57.670 56.100 0.130 0.000 0.975 352 R CB -0.542 29.796 30.300 0.062 0.000 0.865 352 R HN 0.558 nan 8.270 nan 0.000 0.447 353 A N -0.653 122.255 122.820 0.148 0.000 2.169 353 A HA 0.177 4.497 4.320 0.000 0.000 0.212 353 A C 1.393 179.058 177.584 0.136 0.000 1.153 353 A CA 0.911 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 -0.796 108.009 108.800 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 -0.509 174.243 174.900 -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 1.201 121.547 120.400 -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 1.627 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 0.055 0.000 1.193 356 P CA 0.126 63.239 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 -0.960 119.677 120.570 0.111 0.000 2.646 357 I HA 0.663 4.833 4.170 0.000 0.000 0.299 357 I C -0.735 175.437 176.117 0.093 0.000 1.036 357 I CA -0.634 60.735 61.300 0.115 0.000 1.074 357 I CB 2.563 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 71.133 68.868 0.096 0.000 0.979 358 T HN 0.430 nan 8.240 nan 0.000 0.446 359 V N 3.711 123.503 119.914 -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 -0.891 61.335 62.300 -0.122 0.000 0.832 359 V CB 1.255 33.044 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 -0.170 0.000 1.018 360 K CA 0.110 56.308 56.287 -0.149 0.000 0.962 360 K CB 0.065 32.492 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 -0.057 0.000 1.008 361 N CA 0.204 53.150 53.050 -0.173 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 -0.465 122.276 122.820 -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 0.188 nan 8.150 nan 0.000 0.450 363 V N -0.124 119.774 119.914 -0.027 0.000 2.588 363 V HA 0.410 4.530 4.120 0.000 0.000 0.304 363 V C -0.308 175.879 176.094 0.156 0.000 1.042 363 V CA -0.828 61.519 62.300 0.078 0.000 0.877 363 V CB 1.133 32.974 31.823 0.030 0.000 0.996 363 V HN 0.550 nan 8.190 nan 0.000 0.425 364 c N 4.958 123.636 118.600 0.130 0.000 2.456 364 c HA 0.901 5.472 4.570 0.000 0.000 0.325 364 c C -0.605 173.496 174.090 0.017 0.000 1.217 364 c CA -0.749 55.575 56.329 -0.008 0.000 1.687 364 c CB 0.219 42.697 42.510 -0.053 0.000 2.270 364 c HN 0.780 nan 8.230 nan 0.000 0.499 365 I N 5.542 126.077 120.570 -0.059 0.000 2.498 365 I HA 0.643 4.813 4.170 0.000 0.000 0.290 365 I C -0.282 175.787 176.117 -0.079 0.000 1.032 365 I CA -0.096 61.115 61.300 -0.149 0.000 1.073 365 I CB 1.767 39.552 38.000 -0.358 0.000 1.251 365 I HN 0.987 nan 8.210 nan 0.000 0.426 366 H N 3.982 122.871 119.070 -0.301 0.000 2.950 366 H HA 0.451 5.008 4.556 0.000 0.000 0.307 366 H C -2.006 173.247 175.328 -0.124 0.000 1.403 366 H CA -1.114 54.879 56.048 -0.092 0.000 1.145 366 H CB 1.233 30.996 29.762 0.003 0.000 1.844 366 H HN 0.626 nan 8.280 nan 0.000 0.515 367 E N 1.171 121.408 120.200 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 2.753 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 0.930 121.147 120.200 0.028 0.000 2.393 368 E HA 0.152 4.502 4.350 0.000 0.000 0.273 368 E C -1.304 175.342 176.600 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 -0.703 175.621 176.300 0.041 0.000 1.120 369 D CA 0.340 54.377 54.000 0.061 0.000 0.890 369 D CB 1.087 41.914 40.800 0.045 0.000 1.201 369 D HN 0.348 nan 8.370 nan 0.000 0.433 370 D N 1.929 122.353 120.400 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 54.418 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 0.311 109.113 108.800 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 -0.363 174.525 174.900 -0.020 0.000 1.233 371 G CA -0.159 44.937 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 0.458 4.798 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 -0.726 54.083 54.840 -0.052 0.000 0.810 372 L CB 1.289 43.334 42.059 -0.025 0.000 1.153 372 L HN 0.570 nan 8.230 nan 0.000 0.439 373 L N 3.943 125.050 121.223 -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 1.300 55.998 54.840 -0.237 0.000 0.780 373 L CB 0.213 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 -2.629 117.343 119.950 0.037 0.000 2.769 374 F HA 0.565 5.092 4.527 0.000 0.000 0.313 374 F C -0.830 175.001 175.800 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 0.815 121.430 120.400 0.359 0.000 2.587 375 K HA 0.632 4.953 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 55.579 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 -0.066 119.073 119.070 0.115 0.000 3.151 376 H HA 0.445 5.001 4.556 0.000 0.000 0.333 376 H C -2.020 173.370 175.328 0.102 0.000 1.093 376 H CA -0.258 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 0.250 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 1.507 121.879 120.400 -0.048 0.000 2.280 378 D HA 0.234 4.874 4.640 0.000 0.000 0.243 378 D C 0.842 177.121 176.300 -0.034 0.000 1.129 378 D CA -0.797 53.175 54.000 -0.047 0.000 0.848 378 D CB 0.606 41.337 40.800 -0.115 0.000 1.107 378 D HN 0.449 nan 8.370 nan 0.000 0.471 379 F N 3.762 123.729 119.950 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 0.396 58.236 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 0.496 176.615 176.300 -0.302 0.000 1.143 380 R CA 1.744 57.446 56.100 -0.664 0.000 0.968 380 R CB -0.844 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 -1.515 118.732 120.400 -0.255 0.000 2.755 381 D HA 0.019 4.660 4.640 0.000 0.000 0.257 381 D C -0.531 175.668 176.300 -0.169 0.000 1.291 381 D CA -0.456 53.450 54.000 -0.156 0.000 0.836 381 D CB -0.784 39.960 40.800 -0.094 0.000 1.059 381 D HN 0.137 nan 8.370 nan 0.000 0.486 382 N N 1.050 119.566 118.700 -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 0.323 53.087 53.050 -0.476 0.000 0.714 382 N CB -0.842 37.515 38.487 -0.217 0.000 0.959 382 N HN 0.238 nan 8.380 nan 0.000 0.544 383 F N -4.701 115.251 119.950 0.003 0.000 2.840 383 F HA -0.325 4.202 4.527 0.000 0.000 0.310 383 F C 1.689 177.497 175.800 0.013 0.000 0.688 383 F CA 0.786 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 0.298 nan 8.300 nan 0.000 0.335 384 A N -1.060 121.831 122.820 0.118 0.000 1.933 384 A HA -0.030 4.290 4.320 0.000 0.000 0.218 384 A C 1.470 179.130 177.584 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 0.963 115.564 114.554 0.078 0.000 2.727 385 T HA 0.455 4.805 4.350 0.000 0.000 0.295 385 T C -0.266 174.486 174.700 0.087 0.000 0.915 385 T CA 0.560 62.694 62.100 0.057 0.000 1.066 385 T CB 0.237 69.109 68.868 0.006 0.000 0.891 385 T HN 0.332 nan 8.240 nan 0.000 0.516 386 S N 3.516 119.287 115.700 0.118 0.000 2.547 386 S HA 0.728 5.199 4.470 0.000 0.000 0.270 386 S C -1.914 172.774 174.600 0.147 0.000 1.150 386 S CA -0.883 57.403 58.200 0.143 0.000 0.850 386 S CB 1.176 64.508 63.200 0.221 0.000 1.118 386 S HN 0.664 nan 8.310 nan 0.000 0.461 387 L N 3.740 125.058 121.223 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 43.925 42.059 0.147 0.000 1.276 387 L HN 0.564 nan 8.230 nan 0.000 0.403 388 V N 2.802 122.837 119.914 0.202 0.000 2.638 388 V HA 0.612 4.733 4.120 0.000 0.000 0.306 388 V C -0.500 175.630 176.094 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 4.612 119.106 114.554 -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 1.263 69.783 68.868 -0.581 0.000 0.954 389 T HN 0.533 nan 8.240 nan 0.000 0.438 390 R N 1.456 121.859 120.500 -0.163 0.000 2.490 390 R HA 0.685 5.025 4.340 0.000 0.000 0.278 390 R C 0.132 176.363 176.300 -0.115 0.000 1.069 390 R CA -0.486 55.548 56.100 -0.111 0.000 1.080 390 R CB 0.822 31.098 30.300 -0.040 0.000 1.030 390 R HN 0.696 nan 8.270 nan 0.000 0.491 391 A N 1.475 124.255 122.820 -0.066 0.000 2.295 391 A HA 0.516 4.836 4.320 0.000 0.000 0.318 391 A C -0.505 177.125 177.584 0.077 0.000 1.134 391 A CA -0.348 51.685 52.037 -0.006 0.000 0.827 391 A CB 1.342 20.347 19.000 0.009 0.000 1.136 391 A HN 0.607 nan 8.150 nan 0.000 0.493 392 T N 1.869 116.528 114.554 0.174 0.000 2.861 392 T HA 0.535 4.885 4.350 0.000 0.000 0.287 392 T C -0.560 174.389 174.700 0.416 0.000 1.003 392 T CA -0.678 61.585 62.100 0.271 0.000 0.977 392 T CB 1.305 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 2.397 122.929 120.400 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 34.343 32.500 0.011 0.000 1.155 393 K HN 0.353 nan 8.250 nan 0.000 0.428 394 L N 3.548 124.316 121.223 -0.758 0.000 2.282 394 L HA 0.411 4.751 4.340 0.000 0.000 0.288 394 L C -1.308 175.285 176.870 -0.463 0.000 1.033 394 L CA -0.755 53.503 54.840 -0.970 0.000 0.807 394 L CB 1.590 42.644 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 -0.109 175.882 176.094 -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 0.512 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 0.018 176.255 176.094 0.239 0.000 1.014 396 V CA -0.049 62.323 62.300 0.120 0.000 0.831 396 V CB 1.480 33.409 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 -1.118 173.549 174.600 0.111 0.000 1.115 397 S CA -0.540 57.722 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 1.413 121.241 119.800 0.047 0.000 2.534 398 Q HA 0.721 5.061 4.340 0.000 0.000 0.290 398 Q C -1.781 174.249 176.000 0.050 0.000 0.991 398 Q CA -0.975 54.916 55.803 0.146 0.000 0.783 398 Q CB 1.398 30.345 28.738 0.349 0.000 1.470 398 Q HN 0.638 nan 8.270 nan 0.000 0.406 399 I N 2.357 123.001 120.570 0.124 0.000 2.512 399 I HA 0.482 4.652 4.170 0.000 0.000 0.287 399 I C -1.240 175.001 176.117 0.208 0.000 1.069 399 I CA -0.863 60.476 61.300 0.065 0.000 1.056 399 I CB 1.479 39.486 38.000 0.012 0.000 1.229 399 I HN 0.690 nan 8.210 nan 0.000 0.429 400 F N 3.145 123.180 119.950 0.141 0.000 2.538 400 F HA 0.805 5.332 4.527 0.000 0.000 0.325 400 F C -0.511 175.389 175.800 0.167 0.000 1.066 400 F CA -0.780 57.315 58.000 0.159 0.000 0.946 400 F CB 1.526 40.621 39.000 0.159 0.000 1.199 400 F HN 0.145 nan 8.300 nan 0.000 0.473 401 T N 2.419 117.204 114.554 0.385 0.000 2.770 401 T HA 0.670 5.020 4.350 0.000 0.000 0.283 401 T C -0.376 174.495 174.700 0.285 0.000 0.988 401 T CA -0.436 61.804 62.100 0.233 0.000 0.957 401 T CB 1.186 70.137 68.868 0.138 0.000 0.930 401 T HN 0.906 nan 8.240 nan 0.000 0.443 402 A N 2.856 125.827 122.820 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 1.834 124.615 122.820 -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 1.364 121.337 120.300 -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 56.979 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 0.463 nan 8.280 nan 0.000 0.485 408 C N 5.848 125.046 119.300 -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 -1.177 57.706 59.018 -0.226 0.000 1.727 408 C CB -1.204 26.502 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 0.627 42.618 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 -0.306 0.000 0.978 410 Y CA -0.755 57.245 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 3.653 124.970 121.300 0.028 0.000 2.335 411 W HA 0.624 5.284 4.660 0.000 0.000 0.306 411 W C -0.877 175.587 176.519 -0.092 0.000 1.216 411 W CA -0.718 56.579 57.345 -0.081 0.000 1.237 411 W CB 1.055 30.477 29.460 -0.062 0.000 1.243 411 W HN 0.141 nan 8.180 nan 0.000 0.493 412 V N 5.242 125.123 119.914 -0.056 0.000 2.448 412 V HA 0.427 4.547 4.120 0.000 0.000 0.295 412 V C -0.578 175.364 176.094 -0.254 0.000 1.025 412 V CA -1.113 61.130 62.300 -0.095 0.000 0.859 412 V CB 0.743 32.506 31.823 -0.101 0.000 0.988 412 V HN 0.194 nan 8.190 nan 0.000 0.431 413 F N 4.447 124.276 119.950 -0.201 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 0.167 0.000 1.104 413 F CA -0.475 57.427 58.000 -0.162 0.000 1.013 413 F CB 1.764 40.546 39.000 -0.363 0.000 1.136 413 F HN 0.278 nan 8.300 nan 0.000 0.470 414 M N 1.900 121.822 119.600 0.538 0.000 2.662 414 M HA 0.316 4.796 4.480 0.000 0.000 0.310 414 M C 0.601 177.308 176.300 0.678 0.000 1.204 414 M CA -0.609 55.032 55.300 0.569 0.000 0.891 414 M CB 2.172 34.947 32.600 0.293 0.000 1.732 414 M HN 0.580 nan 8.290 nan 0.000 0.467 415 Q N 0.732 120.807 119.800 0.459 0.000 2.515 415 Q HA -0.105 4.236 4.340 0.000 0.000 0.212 415 Q C 0.261 176.355 176.000 0.157 0.000 0.970 415 Q CA 0.654 56.601 55.803 0.241 0.000 0.941 415 Q CB -0.056 28.748 28.738 0.109 0.000 0.998 415 Q HN 0.606 nan 8.270 nan 0.000 0.518 416 D N -1.540 118.967 120.400 0.177 0.000 2.363 416 D HA 0.067 4.707 4.640 0.000 0.000 0.214 416 D C 1.106 177.420 176.300 0.024 0.000 1.093 416 D CA 0.580 54.621 54.000 0.070 0.000 0.837 416 D CB 0.398 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 -0.037 108.864 108.800 0.169 0.000 2.176 417 G HA2 -0.156 3.804 3.960 0.000 0.000 0.253 417 G HA3 -0.156 3.804 3.960 0.000 0.000 0.253 417 G C 0.501 175.720 174.900 0.532 0.000 0.979 417 G CA 0.132 45.375 45.100 0.239 0.000 0.641 417 G HN 0.808 nan 8.290 nan 0.000 0.530 418 A N -0.224 122.818 122.820 0.370 0.000 2.322 418 A HA 0.802 5.122 4.320 0.000 0.000 0.269 418 A C 0.201 177.916 177.584 0.218 0.000 1.094 418 A CA -0.044 52.155 52.037 0.269 0.000 0.807 418 A CB 0.548 19.620 19.000 0.119 0.000 1.047 418 A HN 0.795 nan 8.150 nan 0.000 0.487 419 I N 0.855 121.477 120.570 0.087 0.000 2.509 419 I HA 0.519 4.689 4.170 0.000 0.000 0.293 419 I C 0.178 176.193 176.117 -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 39.753 38.000 -0.345 0.000 1.267 419 I HN 0.783 nan 8.210 nan 0.000 0.430 420 R N 5.776 126.131 120.500 -0.242 0.000 2.744 420 R HA 0.647 4.987 4.340 0.000 0.000 0.279 420 R C -1.898 174.243 176.300 -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 32.525 30.300 -0.146 0.000 1.197 420 R HN 0.589 nan 8.270 nan 0.000 0.463 421 L N 3.762 124.781 121.223 -0.341 0.000 2.319 421 L HA 0.455 4.796 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 1.561 43.171 42.059 -0.749 0.000 1.227 421 L HN 0.692 nan 8.230 nan 0.000 0.415 422 D N 5.981 126.213 120.400 -0.281 0.000 2.192 422 D HA 0.565 5.206 4.640 0.000 0.000 0.246 422 D C -0.395 175.874 176.300 -0.051 0.000 1.042 422 D CA 0.013 53.926 54.000 -0.145 0.000 0.847 422 D CB 2.742 43.473 40.800 -0.116 0.000 1.186 422 D HN 0.353 nan 8.370 nan 0.000 0.461 423 I N 1.537 122.072 120.570 -0.059 0.000 2.545 423 I HA 0.393 4.563 4.170 0.000 0.000 0.292 423 I C -0.074 176.042 176.117 -0.001 0.000 1.040 423 I CA -0.789 60.486 61.300 -0.042 0.000 1.068 423 I CB 2.182 40.064 38.000 -0.197 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.173 126.700 120.500 0.045 0.000 2.513 424 R HA 0.636 4.976 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 2.018 123.127 121.223 -0.190 0.000 2.295 425 L HA 0.539 4.880 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 54.337 54.840 -0.345 0.000 0.806 425 L CB 1.689 43.480 42.059 -0.447 0.000 1.214 425 L HN 0.655 nan 8.230 nan 0.000 0.426 426 T N 0.918 115.290 114.554 -0.303 0.000 2.598 426 T HA 0.824 5.174 4.350 0.000 0.000 0.289 426 T C -0.093 174.465 174.700 -0.236 0.000 1.056 426 T CA 0.413 62.380 62.100 -0.222 0.000 1.088 426 T CB 1.473 70.234 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 -0.190 44.783 45.100 -0.212 0.000 0.954 427 G HN 0.925 nan 8.290 nan 0.000 0.580 428 I N 0.815 121.253 120.570 -0.219 0.000 2.569 428 I HA 0.469 4.639 4.170 0.000 0.000 0.296 428 I C 0.691 176.707 176.117 -0.168 0.000 1.028 428 I CA -0.910 60.250 61.300 -0.234 0.000 1.082 428 I CB 1.808 39.556 38.000 -0.420 0.000 1.264 428 I HN 0.501 nan 8.210 nan 0.000 0.429 429 L N 4.552 125.779 121.223 0.007 0.000 2.485 429 L HA 0.066 4.406 4.340 0.000 0.000 0.275 429 L C 0.815 177.694 176.870 0.015 0.000 1.207 429 L CA 0.136 55.028 54.840 0.086 0.000 0.855 429 L CB 0.019 42.187 42.059 0.182 0.000 1.114 429 L HN 0.661 nan 8.230 nan 0.000 0.485 430 N N 1.724 120.473 118.700 0.081 0.000 2.497 430 N HA 0.107 4.847 4.740 0.000 0.000 0.271 430 N C -0.799 174.778 175.510 0.113 0.000 1.142 430 N CA -0.170 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 0.707 115.390 114.554 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 -0.733 61.450 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 1.113 121.281 120.300 -0.220 0.000 2.576 432 Y HA 0.676 5.227 4.550 0.000 0.000 0.346 432 Y C -0.604 175.199 175.900 -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 4.431 124.375 120.570 -1.044 0.000 2.696 433 I HA 0.251 4.422 4.170 0.000 0.000 0.284 433 I C -1.301 174.550 176.117 -0.442 0.000 1.129 433 I CA -0.275 60.633 61.300 -0.652 0.000 1.410 433 I CB 0.544 38.181 38.000 -0.606 0.000 1.399 433 I HN 0.602 nan 8.210 nan 0.000 0.579 434 L N 7.181 128.270 121.223 -0.223 0.000 2.381 434 L HA 0.634 4.974 4.340 0.000 0.000 0.274 434 L C 0.000 176.824 176.870 -0.077 0.000 0.988 434 L CA -0.100 54.680 54.840 -0.100 0.000 0.824 434 L CB 1.521 43.537 42.059 -0.071 0.000 1.263 434 L HN 0.624 nan 8.230 nan 0.000 0.410 435 G N 2.361 111.142 108.800 -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 0.119 120.515 120.400 -0.007 0.000 2.149 436 D HA -0.137 4.503 4.640 0.000 0.000 0.198 436 D C 1.541 177.839 176.300 -0.004 0.000 0.990 436 D CA 1.565 55.564 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 0.645 nan 8.370 nan 0.000 0.460 437 D N 0.040 120.441 120.400 0.002 0.000 2.491 437 D HA 0.000 4.641 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 40.658 40.800 0.007 0.000 0.989 437 D HN 0.152 nan 8.370 nan 0.000 0.494 438 E N 0.788 120.995 120.200 0.011 0.000 2.166 438 E HA 0.214 4.564 4.350 0.000 0.000 0.275 438 E C -1.018 175.594 176.600 0.020 0.000 0.941 438 E CA -0.700 55.716 56.400 0.026 0.000 0.784 438 E CB 1.484 31.209 29.700 0.042 0.000 1.115 438 E HN -0.038 nan 8.360 nan 0.000 0.399 439 E N 2.940 123.154 120.200 0.024 0.000 2.259 439 E HA 0.282 4.633 4.350 0.000 0.000 0.281 439 E C -0.196 176.423 176.600 0.031 0.000 1.027 439 E CA 0.117 56.522 56.400 0.009 0.000 0.838 439 E CB 1.503 31.197 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 0.218 4.538 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 0.869 52.947 52.037 0.069 0.000 0.622 440 A CB -0.941 18.093 19.000 0.058 0.000 0.824 440 A HN 0.667 nan 8.150 nan 0.000 0.444 441 G N -0.375 108.406 108.800 -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 -1.135 173.575 174.900 -0.317 0.000 1.225 441 G CA -0.089 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 0.535 177.638 177.300 -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 -0.756 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 1.048 177.663 176.519 0.160 0.000 1.312 443 W CA -0.120 57.281 57.345 0.093 0.000 1.606 443 W CB 0.280 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 -1.470 173.532 174.900 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 -0.068 174.635 174.700 0.005 0.000 1.003 445 T CA -0.618 61.519 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 0.567 nan 8.240 nan 0.000 0.448 446 R N 2.879 123.370 120.500 -0.013 0.000 2.325 446 R HA 0.289 4.629 4.340 0.000 0.000 0.323 446 R C 1.061 177.322 176.300 -0.064 0.000 1.177 446 R CA -0.219 55.848 56.100 -0.055 0.000 1.018 446 R CB -0.263 30.006 30.300 -0.052 0.000 1.070 446 R HN 0.576 nan 8.270 nan 0.000 0.495 447 V N 2.139 121.978 119.914 -0.123 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 0.113 62.347 62.300 -0.110 0.000 1.138 447 V CB -0.924 30.752 31.823 -0.244 0.000 0.841 447 V HN 0.677 nan 8.190 nan 0.000 0.451 448 Y N -0.841 119.309 120.300 -0.249 0.000 2.620 448 Y HA 0.563 5.113 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 1.605 40.008 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 -0.553 176.475 177.300 -0.452 0.000 1.183 449 P CA 1.214 63.898 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 -0.281 118.265 118.700 -0.258 0.000 2.800 450 N HA -0.133 4.608 4.740 0.000 0.000 0.250 450 N C -0.813 174.602 175.510 -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 -0.130 0.000 1.135 450 N HN 0.174 nan 8.380 nan 0.000 0.565 451 V N 1.183 121.007 119.914 -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 33.681 31.823 -0.210 0.000 0.990 451 V HN 0.197 nan 8.190 nan 0.000 0.430 452 N N 3.249 121.860 118.700 -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 1.190 39.653 38.487 -0.039 0.000 1.144 452 N HN 0.830 nan 8.380 nan 0.000 0.500 453 A N 3.657 126.421 122.820 -0.093 0.000 2.280 453 A HA 0.246 4.566 4.320 0.000 0.000 0.320 453 A C -0.576 177.083 177.584 0.126 0.000 1.366 453 A CA -0.445 51.573 52.037 -0.032 0.000 0.938 453 A CB -0.147 18.836 19.000 -0.029 0.000 1.157 453 A HN 0.840 nan 8.150 nan 0.000 0.536 454 H N 2.147 121.334 119.070 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 -0.382 55.828 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 0.658 nan 8.280 nan 0.000 0.599 455 N N 2.807 121.709 118.700 0.337 0.000 2.453 455 N HA 0.032 4.772 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 0.329 53.406 53.050 0.044 0.000 0.917 455 N CB 0.549 39.077 38.487 0.069 0.000 1.117 455 N HN 0.707 nan 8.380 nan 0.000 0.442 456 H N -2.087 116.670 119.070 -0.522 0.000 2.987 456 H HA 0.313 4.869 4.556 0.000 0.000 0.316 456 H C -1.436 173.567 175.328 -0.543 0.000 1.380 456 H CA -0.762 54.849 56.048 -0.728 0.000 1.160 456 H CB 0.840 29.640 29.762 -1.604 0.000 1.865 456 H HN 0.416 nan 8.280 nan 0.000 0.521 457 Q N 0.463 120.006 119.800 -0.428 0.000 2.351 457 Q HA 0.391 4.731 4.340 0.000 0.000 0.273 457 Q C -0.837 174.978 176.000 -0.309 0.000 1.077 457 Q CA -1.004 54.614 55.803 -0.309 0.000 0.843 457 Q CB 2.548 31.169 28.738 -0.195 0.000 1.367 457 Q HN 0.510 nan 8.270 nan 0.000 0.449 458 H N 1.651 120.683 119.070 -0.063 0.000 2.762 458 H HA 0.411 4.967 4.556 0.000 0.000 0.310 458 H C -0.999 174.204 175.328 -0.208 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 -0.047 0.000 1.272 459 L HN 0.297 nan 8.230 nan 0.000 0.421 460 F N 0.009 119.835 119.950 -0.208 0.000 2.561 460 F HA 0.449 4.976 4.527 0.000 0.000 0.321 460 F C 0.330 176.025 175.800 -0.175 0.000 1.065 460 F CA -0.831 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 3.218 118.840 115.700 -0.130 0.000 2.577 461 S HA 0.409 4.880 4.470 0.000 0.000 0.294 461 S C -0.870 173.798 174.600 0.114 0.000 1.161 461 S CA -0.581 57.514 58.200 -0.174 0.000 1.143 461 S CB -0.007 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 5.827 127.233 121.223 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 30.735 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 -0.229 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 -2.028 51.967 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 -0.565 62.682 63.100 0.245 0.000 0.811 466 P CB 1.341 33.169 31.700 0.213 0.000 1.035 467 R N 1.779 122.351 120.500 0.119 0.000 2.533 467 R HA 0.247 4.588 4.340 0.000 0.000 0.268 467 R C -0.223 176.098 176.300 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 2.608 123.207 120.570 0.050 0.000 2.818 468 I HA -0.045 4.126 4.170 0.000 0.000 0.285 468 I C 0.522 176.738 176.117 0.165 0.000 1.160 468 I CA 0.989 62.353 61.300 0.107 0.000 1.370 468 I CB -0.357 37.746 38.000 0.172 0.000 1.440 468 I HN 0.616 nan 8.210 nan 0.000 0.555 469 D N 4.952 125.492 120.400 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 -0.683 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 -1.056 107.772 108.800 0.046 0.000 2.373 470 G HA2 0.018 3.978 3.960 0.000 0.000 0.634 470 G HA3 0.018 3.978 3.960 0.000 0.000 0.634 470 G C -1.163 173.742 174.900 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 0.812 177.098 176.300 -0.023 0.000 1.072 471 D CA 1.332 55.317 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 -0.030 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 -0.033 0.000 1.179 472 G HN 0.414 nan 8.290 nan 0.000 0.527 473 N N -0.363 118.296 118.700 -0.070 0.000 2.453 473 N HA 0.882 5.622 4.740 0.000 0.000 0.290 473 N C -0.217 175.162 175.510 -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 40.670 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 57.200 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 0.330 123.155 122.820 0.008 0.000 2.469 475 A HA 1.011 5.331 4.320 0.000 0.000 0.299 475 A C -0.943 176.651 177.584 0.016 0.000 1.098 475 A CA -0.529 51.676 52.037 0.280 0.000 0.737 475 A CB 1.548 20.902 19.000 0.591 0.000 1.312 475 A HN 1.424 nan 8.150 nan 0.000 0.414 476 A N -0.288 122.483 122.820 -0.081 0.000 2.610 476 A HA 0.885 5.205 4.320 0.000 0.000 0.291 476 A C -0.450 176.967 177.584 -0.278 0.000 1.086 476 A CA 0.024 51.722 52.037 -0.564 0.000 0.677 476 A CB 0.910 19.844 19.000 -0.111 0.000 1.278 476 A HN 2.474 nan 8.150 nan 0.000 0.414 477 A N -0.219 122.423 122.820 -0.297 0.000 2.312 477 A HA 0.625 4.945 4.320 0.000 0.000 0.326 477 A C -0.416 177.079 177.584 -0.147 0.000 1.172 477 A CA -0.351 51.621 52.037 -0.109 0.000 0.821 477 A CB 0.322 19.392 19.000 0.118 0.000 1.166 477 A HN 1.279 nan 8.150 nan 0.000 0.493 478 C N 2.205 121.379 119.300 -0.210 0.000 2.319 478 C HA 0.630 5.090 4.460 0.000 0.000 0.323 478 C C -0.844 174.040 174.990 -0.177 0.000 1.277 478 C CA -0.829 58.101 59.018 -0.146 0.000 1.517 478 C CB 0.346 28.027 27.740 -0.098 0.000 2.206 478 C HN 0.792 nan 8.230 nan 0.000 0.486 479 D N 2.171 122.480 120.400 -0.151 0.000 2.502 479 D HA 0.484 5.124 4.640 0.000 0.000 0.249 479 D C -0.325 175.858 176.300 -0.196 0.000 1.092 479 D CA 0.090 53.988 54.000 -0.170 0.000 0.839 479 D CB 2.192 42.903 40.800 -0.148 0.000 1.264 479 D HN 0.674 nan 8.370 nan 0.000 0.511 480 A N 2.984 125.696 122.820 -0.180 0.000 2.409 480 A HA 0.431 4.751 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 0.036 51.957 52.037 -0.193 0.000 0.790 480 A CB 0.358 19.257 19.000 -0.169 0.000 1.046 480 A HN 0.457 nan 8.150 nan 0.000 0.496 481 K N 1.829 122.030 120.400 -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 -0.259 0.000 0.819 481 K CB 2.215 34.514 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 0.261 175.056 174.600 0.324 0.000 1.334 482 S CA -0.481 57.842 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 2.447 118.362 115.700 0.358 0.000 2.568 483 S HA 0.098 4.568 4.470 0.000 0.000 0.282 483 S C -1.161 173.574 174.600 0.226 0.000 1.338 483 S CA -1.114 57.288 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 -0.010 nan 4.420 nan 0.000 0.229 484 P C -0.259 176.967 177.300 -0.124 0.000 1.160 484 P CA 0.610 63.692 63.100 -0.030 0.000 0.777 484 P CB -0.092 31.523 31.700 -0.141 0.000 0.814 485 Y N 2.816 123.139 120.300 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 -0.444 38.022 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 -0.355 176.995 177.300 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 1.478 178.347 176.870 -0.002 0.000 1.223 487 L CA 1.728 56.587 54.840 0.031 0.000 0.864 487 L CB -0.618 41.457 42.059 0.027 0.000 1.118 487 L HN 0.897 nan 8.230 nan 0.000 0.494 488 G N 2.396 111.165 108.800 -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 0.263 175.129 174.900 -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 0.040 115.732 115.700 -0.014 0.000 2.632 489 S HA 0.656 5.126 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 -0.656 57.546 58.200 0.003 0.000 1.010 489 S CB 2.306 65.558 63.200 0.086 0.000 0.965 489 S HN -0.032 nan 8.310 nan 0.000 0.534 490 P HA -0.050 nan 4.420 nan 0.000 0.218 490 P C 0.708 177.938 177.300 -0.117 0.000 1.148 490 P CA 1.121 64.173 63.100 -0.080 0.000 0.822 490 P CB 0.000 31.654 31.700 -0.076 0.000 0.784 491 E N -1.771 118.310 120.200 -0.199 0.000 2.358 491 E HA -0.029 4.321 4.350 0.000 0.000 0.195 491 E C 0.693 177.210 176.600 -0.138 0.000 1.010 491 E CA 0.647 56.862 56.400 -0.308 0.000 0.856 491 E CB -0.355 28.823 29.700 -0.870 0.000 0.795 491 E HN 0.101 nan 8.360 nan 0.000 0.504 492 N N -0.394 118.284 118.700 -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 0.225 176.350 176.300 -0.292 0.000 1.071 493 M CA 2.092 57.284 55.300 -0.180 0.000 1.097 493 M CB -0.396 32.046 32.600 -0.263 0.000 1.315 493 M HN 0.394 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 4.999 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 0.029 58.146 58.100 0.029 0.000 1.258 494 Y CB -0.546 37.928 38.460 0.024 0.000 1.108 494 Y HN 0.461 nan 8.280 nan 0.000 0.521 495 G N 1.585 110.474 108.800 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 0.951 175.945 174.900 0.156 0.000 1.021 495 G CA 0.837 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 -0.225 118.580 118.700 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 0.661 53.823 53.050 0.186 0.000 0.867 496 N CB 0.030 38.606 38.487 0.149 0.000 0.974 496 N HN 0.943 nan 8.380 nan 0.000 0.477 497 A N 1.036 123.958 122.820 0.169 0.000 2.520 497 A HA 0.423 4.743 4.320 0.000 0.000 0.245 497 A C -0.451 177.300 177.584 0.277 0.000 1.072 497 A CA -0.202 51.916 52.037 0.135 0.000 0.761 497 A CB -0.599 18.466 19.000 0.108 0.000 1.004 497 A HN 0.477 nan 8.150 nan 0.000 0.499 498 F N 1.031 121.074 119.950 0.154 0.000 2.654 498 F HA 0.763 5.290 4.527 0.000 0.000 0.308 498 F C -1.037 174.904 175.800 0.237 0.000 1.108 498 F CA -1.515 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 0.756 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 -1.854 56.333 58.100 0.145 0.000 1.081 499 Y CB 0.913 39.405 38.460 0.053 0.000 1.339 499 Y HN 0.802 nan 8.280 nan 0.000 0.469 500 S N 0.594 116.314 115.700 0.034 0.000 2.438 500 S HA 0.307 4.777 4.470 0.000 0.000 0.316 500 S C -1.045 173.537 174.600 -0.029 0.000 1.084 500 S CA -0.567 57.586 58.200 -0.078 0.000 1.107 500 S CB 0.247 63.460 63.200 0.023 0.000 0.981 500 S HN 0.694 nan 8.310 nan 0.000 0.466 501 E N 3.911 124.011 120.200 -0.168 0.000 2.130 501 E HA 0.225 4.575 4.350 0.000 0.000 0.284 501 E C -0.545 176.050 176.600 -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 3.489 123.897 120.400 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 33.620 32.500 -0.094 0.000 1.098 502 K HN 0.352 nan 8.250 nan 0.000 0.458 503 T N 3.497 118.036 114.554 -0.025 0.000 2.874 503 T HA 0.144 4.494 4.350 0.000 0.000 0.321 503 T C -0.548 174.120 174.700 -0.052 0.000 1.075 503 T CA -0.439 61.678 62.100 0.030 0.000 0.966 503 T CB 1.040 69.979 68.868 0.118 0.000 1.001 503 T HN 0.492 nan 8.240 nan 0.000 0.476 504 T N 4.480 119.044 114.554 0.018 0.000 2.851 504 T HA 0.301 4.651 4.350 0.000 0.000 0.298 504 T C 0.094 174.887 174.700 0.155 0.000 0.977 504 T CA -0.248 61.879 62.100 0.046 0.000 1.126 504 T CB -0.096 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 3.010 123.090 119.950 0.217 0.000 2.472 505 F HA 0.312 4.839 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 57.001 58.000 0.157 0.000 1.188 505 F CB 0.436 39.531 39.000 0.158 0.000 1.105 505 F HN 0.554 nan 8.300 nan 0.000 0.536 506 K N 0.667 121.238 120.400 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 -2.592 112.035 114.554 0.121 0.000 2.942 507 T HA 0.241 4.591 4.350 0.000 0.000 0.289 507 T C 1.326 176.054 174.700 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 70.644 68.868 0.051 0.000 1.123 507 T HN -0.208 nan 8.240 nan 0.000 0.512 508 V N 1.314 121.241 119.914 0.022 0.000 2.278 508 V HA -0.216 3.904 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 2.472 64.758 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 1.792 178.310 176.600 -0.137 0.000 1.047 509 K CA 2.014 58.245 56.287 -0.095 0.000 0.928 509 K CB -0.276 32.198 32.500 -0.042 0.000 0.716 509 K HN 0.534 nan 8.250 nan 0.000 0.446 510 D N -0.062 120.278 120.400 -0.101 0.000 2.218 510 D HA -0.125 4.515 4.640 0.000 0.000 0.204 510 D C 1.918 177.906 176.300 -0.522 0.000 0.976 510 D CA 1.510 55.447 54.000 -0.105 0.000 0.853 510 D CB -0.060 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 0.222 115.448 115.700 -0.789 0.000 2.461 511 S HA -0.033 4.437 4.470 0.000 0.000 0.228 511 S C 1.306 175.447 174.600 -0.765 0.000 1.005 511 S CA -0.109 57.210 58.200 -1.468 0.000 0.942 511 S CB -0.503 62.214 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 0.225 4.566 4.340 0.000 0.000 0.281 512 L C 0.315 177.067 176.870 -0.197 0.000 1.212 512 L CA -0.152 54.372 54.840 -0.526 0.000 1.082 512 L CB -1.134 40.431 42.059 -0.824 0.000 1.362 512 L HN 0.415 nan 8.230 nan 0.000 0.451 513 T N -1.160 113.423 114.554 0.048 0.000 2.906 513 T HA 0.546 4.896 4.350 0.000 0.000 0.295 513 T C -0.330 174.659 174.700 0.481 0.000 1.075 513 T CA -1.103 61.191 62.100 0.324 0.000 1.005 513 T CB 2.476 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 -0.039 118.947 118.700 0.476 0.000 2.402 514 N HA 0.357 5.097 4.740 0.000 0.000 0.294 514 N C -1.312 174.559 175.510 0.602 0.000 1.203 514 N CA -0.653 52.691 53.050 0.489 0.000 0.838 514 N CB 1.290 39.947 38.487 0.283 0.000 1.306 514 N HN 0.767 nan 8.380 nan 0.000 0.510 515 Y N 0.961 121.608 120.300 0.577 0.000 2.497 515 Y HA 0.059 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 58.845 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 3.524 123.187 120.200 -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 56.018 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 1.683 117.055 115.700 -0.548 0.000 2.402 517 S HA -0.140 4.330 4.470 0.000 0.000 0.229 517 S C 1.861 176.361 174.600 -0.165 0.000 1.021 517 S CA 0.897 58.947 58.200 -0.250 0.000 0.974 517 S CB -0.071 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 -0.020 4.300 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 -5.588 108.859 114.554 -0.178 0.000 3.091 519 T HA 0.434 4.785 4.350 0.000 0.000 0.277 519 T C 1.072 175.671 174.700 -0.169 0.000 0.996 519 T CA 0.896 62.893 62.100 -0.172 0.000 0.897 519 T CB -0.033 68.730 68.868 -0.175 0.000 1.109 519 T HN 1.641 nan 8.240 nan 0.000 0.534 520 G N 2.808 111.514 108.800 -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 0.933 nan 8.290 nan 0.000 0.510 521 R N 0.023 120.410 120.500 -0.187 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 0.676 nan 8.270 nan 0.000 0.413 522 S N 3.601 119.088 115.700 -0.355 0.000 2.697 522 S HA 0.609 5.079 4.470 0.000 0.000 0.289 522 S C -1.230 173.199 174.600 -0.286 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 0.010 0.000 1.151 522 S HN 0.631 nan 8.310 nan 0.000 0.491 523 W N 0.509 121.907 121.300 0.163 0.000 2.819 523 W HA 0.449 5.109 4.660 0.000 0.000 0.337 523 W C -1.367 175.236 176.519 0.140 0.000 1.077 523 W CA -0.429 57.042 57.345 0.211 0.000 1.226 523 W CB 2.157 31.869 29.460 0.420 0.000 1.419 523 W HN 0.632 nan 8.180 nan 0.000 0.502 524 D N 1.981 122.598 120.400 0.361 0.000 2.248 524 D HA 0.538 5.178 4.640 0.000 0.000 0.246 524 D C -0.488 176.056 176.300 0.407 0.000 1.027 524 D CA -0.375 53.805 54.000 0.300 0.000 0.853 524 D CB 2.249 43.166 40.800 0.194 0.000 1.243 524 D HN 0.094 nan 8.370 nan 0.000 0.462 525 I N 3.078 123.849 120.570 0.335 0.000 2.411 525 I HA 0.350 4.520 4.170 0.000 0.000 0.284 525 I C -0.756 175.579 176.117 0.365 0.000 1.012 525 I CA -0.872 60.594 61.300 0.276 0.000 1.119 525 I CB 0.417 38.485 38.000 0.113 0.000 1.261 525 I HN 0.220 nan 8.210 nan 0.000 0.448 526 F N 3.503 123.531 119.950 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 -1.516 56.555 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 0.216 0.000 2.621 527 N HA 0.361 5.101 4.740 0.000 0.000 0.237 527 N C -2.049 173.561 175.510 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 -0.115 177.247 177.300 0.103 0.000 1.167 528 P CA 0.827 64.051 63.100 0.206 0.000 0.763 528 P CB 0.309 32.100 31.700 0.152 0.000 0.835 529 N N -0.119 118.614 118.700 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 0.562 53.629 53.050 0.028 0.000 0.881 529 N CB 0.463 38.955 38.487 0.009 0.000 0.969 529 N HN 0.368 nan 8.380 nan 0.000 0.459 530 K N 0.302 120.718 120.400 0.027 0.000 2.400 530 K HA 0.645 4.966 4.320 0.000 0.000 0.246 530 K C -0.934 175.667 176.600 0.001 0.000 0.995 530 K CA -0.736 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 1.919 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 5.486 124.163 118.700 -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 -1.412 51.612 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 0.408 nan 8.380 nan 0.000 0.474 533 P HA -0.148 nan 4.420 nan 0.000 0.221 533 P C 0.491 177.845 177.300 0.090 0.000 1.145 533 P CA 1.326 64.383 63.100 -0.071 0.000 0.795 533 P CB 0.182 31.770 31.700 -0.187 0.000 0.775 534 Y N 0.993 121.301 120.300 0.013 0.000 2.239 534 Y HA -0.009 4.541 4.550 0.000 0.000 0.293 534 Y C 2.973 178.889 175.900 0.026 0.000 1.126 534 Y CA 0.954 59.065 58.100 0.017 0.000 1.128 534 Y CB -1.423 37.050 38.460 0.022 0.000 1.066 534 Y HN 0.055 nan 8.280 nan 0.000 0.516 535 S N -0.912 114.932 115.700 0.240 0.000 2.461 535 S HA 0.142 4.612 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 0.796 59.094 58.200 0.164 0.000 0.942 535 S CB -0.509 62.878 63.200 0.311 0.000 0.776 535 S HN 0.672 nan 8.310 nan 0.000 0.514 536 G N 0.984 109.803 108.800 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 0.393 45.483 45.100 -0.016 0.000 0.670 536 G HN 0.526 nan 8.290 nan 0.000 0.528 537 K N 0.732 121.045 120.400 -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 -0.738 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 -2.489 174.853 177.300 0.071 0.000 1.223 538 P CA -1.254 61.858 63.100 0.020 0.000 0.784 538 P CB -0.195 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 0.604 32.265 31.700 -0.064 0.000 0.881 540 S N 1.647 117.564 115.700 0.361 0.000 2.611 540 S HA 0.548 5.018 4.470 0.000 0.000 0.268 540 S C -1.865 172.870 174.600 0.226 0.000 1.156 540 S CA -0.691 57.719 58.200 0.351 0.000 0.817 540 S CB 0.960 64.336 63.200 0.294 0.000 1.122 540 S HN 0.279 nan 8.310 nan 0.000 0.466 541 Y N 0.968 121.315 120.300 0.078 0.000 2.350 541 Y HA 0.615 5.165 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 57.585 58.100 0.006 0.000 1.100 541 Y CB 1.965 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 4.375 124.809 120.400 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 0.631 nan 8.250 nan 0.000 0.454 543 L N 5.740 127.031 121.223 0.112 0.000 2.315 543 L HA 0.252 4.592 4.340 0.000 0.000 0.283 543 L C -1.347 175.615 176.870 0.152 0.000 1.089 543 L CA -0.007 54.874 54.840 0.068 0.000 0.833 543 L CB 1.145 43.205 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 0.066 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 0.947 32.786 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 0.550 175.078 174.600 -0.121 0.000 1.170 545 S CA 0.210 58.434 58.200 0.040 0.000 0.994 545 S CB 1.835 65.132 63.200 0.162 0.000 1.051 545 S HN 0.906 nan 8.310 nan 0.000 0.484 546 T N 1.436 115.849 114.554 -0.235 0.000 2.985 546 T HA 0.282 4.632 4.350 0.000 0.000 0.254 546 T C 0.380 174.952 174.700 -0.212 0.000 1.021 546 T CA -0.046 61.718 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 28.523 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 0.374 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 -1.929 57.237 59.018 0.247 0.000 1.593 548 C CB -0.565 27.400 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 -2.222 175.132 177.300 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 2.655 123.833 121.223 -0.074 0.000 2.369 551 L HA 0.069 4.409 4.340 0.000 0.000 0.279 551 L C 1.178 177.991 176.870 -0.093 0.000 1.108 551 L CA 0.315 55.084 54.840 -0.118 0.000 0.852 551 L CB -0.551 41.397 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 1.404 178.230 176.870 -0.073 0.000 1.106 552 L CA 0.451 55.261 54.840 -0.050 0.000 0.793 552 L CB -0.501 41.545 42.059 -0.021 0.000 0.927 552 L HN 0.827 nan 8.230 nan 0.000 0.446 553 A N 0.752 123.505 122.820 -0.112 0.000 2.498 553 A HA 0.156 4.476 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 51.865 52.037 -0.132 0.000 0.766 553 A CB 0.070 18.966 19.000 -0.173 0.000 1.003 553 A HN 0.156 nan 8.150 nan 0.000 0.497 554 K N 1.196 121.526 120.400 -0.118 0.000 2.180 554 K HA 0.159 4.479 4.320 0.000 0.000 0.251 554 K C 0.073 176.599 176.600 -0.124 0.000 1.014 554 K CA 0.017 56.241 56.287 -0.105 0.000 0.913 554 K CB 0.427 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 0.033 120.168 120.200 -0.109 0.000 2.414 555 E HA -0.000 4.350 4.350 0.000 0.000 0.263 555 E C 0.775 177.305 176.600 -0.116 0.000 1.000 555 E CA 0.756 57.088 56.400 -0.114 0.000 0.914 555 E CB 0.403 30.050 29.700 -0.089 0.000 0.948 555 E HN 0.814 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 45.388 45.100 -0.139 0.000 0.632 556 G HN 0.684 nan 8.290 nan 0.000 0.529 557 S N -0.193 115.403 115.700 -0.174 0.000 2.600 557 S HA 0.617 5.088 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 64.635 63.200 -0.191 0.000 0.921 557 S HN 0.483 nan 8.310 nan 0.000 0.554 558 L N 1.264 122.327 121.223 -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 56.058 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 -0.106 119.524 119.914 -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 1.933 63.970 62.300 -0.438 0.000 1.018 559 V CB -0.883 30.733 31.823 -0.345 0.000 0.641 559 V HN 0.561 nan 8.190 nan 0.000 0.445 560 A N -0.626 122.006 122.820 -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 1.679 53.537 52.037 -0.298 0.000 0.635 560 A CB -0.348 18.508 19.000 -0.239 0.000 0.810 560 A HN 0.566 nan 8.150 nan 0.000 0.445 561 K N -0.632 119.570 120.400 -0.331 0.000 2.116 561 K HA -0.023 4.298 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 0.387 nan 8.250 nan 0.000 0.446 562 R N 0.276 120.500 120.500 -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 0.500 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 1.554 124.232 122.820 -0.237 0.000 3.248 563 A HA 0.281 4.602 4.320 0.000 0.000 0.315 563 A C -1.973 175.205 177.584 -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 19.042 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 1.336 178.544 177.300 -0.153 0.000 1.145 564 P CA 1.129 64.114 63.100 -0.192 0.000 0.795 564 P CB -0.203 31.459 31.700 -0.062 0.000 0.775 565 W N 0.031 121.290 121.300 -0.070 0.000 2.467 565 W HA 0.258 4.918 4.660 0.000 0.000 0.275 565 W C 1.562 178.086 176.519 0.008 0.000 1.239 565 W CA 0.568 57.887 57.345 -0.044 0.000 1.266 565 W CB -1.661 27.755 29.460 -0.073 0.000 1.112 565 W HN -0.085 nan 8.180 nan 0.000 0.576 566 A N 1.150 123.543 122.820 -0.710 0.000 2.168 566 A HA -0.028 4.293 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 1.382 53.070 52.037 -0.582 0.000 0.716 566 A CB -0.733 17.623 19.000 -1.075 0.000 0.794 566 A HN 0.218 nan 8.150 nan 0.000 0.465 567 S N -0.638 114.921 115.700 -0.234 0.000 2.481 567 S HA 0.016 4.486 4.470 0.000 0.000 0.231 567 S C 0.124 174.466 174.600 -0.431 0.000 0.996 567 S CA 0.619 58.644 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 -1.372 117.701 119.070 0.006 0.000 2.851 568 H HA 0.408 4.965 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 -0.539 55.542 56.048 0.056 0.000 1.159 568 H CB 1.399 31.180 29.762 0.032 0.000 1.757 568 H HN -0.138 nan 8.280 nan 0.000 0.546 569 S N 0.617 116.472 115.700 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 0.115 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 2.565 122.487 119.914 0.014 0.000 2.638 570 V HA 0.428 4.549 4.120 0.000 0.000 0.306 570 V C -1.055 174.918 176.094 -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 33.449 31.823 -0.689 0.000 0.999 570 V HN 0.245 nan 8.190 nan 0.000 0.424 571 N N 3.162 121.734 118.700 -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 -0.765 61.536 62.300 0.002 0.000 0.850 572 V CB 1.613 33.464 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 -2.921 173.227 176.094 0.091 0.000 1.117 573 V CA -3.078 59.291 62.300 0.115 0.000 1.014 573 V CB 2.194 34.107 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 -1.235 176.063 177.300 -0.004 0.000 1.209 574 P CA 0.185 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 3.062 123.331 120.300 -0.053 0.000 2.397 575 Y HA 0.352 4.902 4.550 0.000 0.000 0.335 575 Y C 0.062 175.890 175.900 -0.120 0.000 1.213 575 Y CA 0.628 58.670 58.100 -0.097 0.000 1.391 575 Y CB 0.591 39.008 38.460 -0.072 0.000 1.293 575 Y HN 0.224 nan 8.280 nan 0.000 0.557 576 K N 3.701 123.392 120.400 -1.183 0.000 2.546 576 K HA 0.250 4.571 4.320 0.000 0.000 0.264 576 K C -1.726 174.212 176.600 -1.103 0.000 0.937 576 K CA -0.706 55.116 56.287 -0.774 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 2.278 122.371 120.400 -0.512 0.000 2.399 577 D HA 0.073 4.713 4.640 0.000 0.000 0.241 577 D C -0.017 176.090 176.300 -0.321 0.000 1.133 577 D CA 0.702 54.526 54.000 -0.293 0.000 0.890 577 D CB 0.458 41.230 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 2.782 578 N HA -0.225 4.515 4.740 0.000 0.000 0.251 578 N C -0.392 174.911 175.510 -0.344 0.000 1.101 578 N CA 0.489 53.378 53.050 -0.270 0.000 0.764 578 N CB -0.880 37.489 38.487 -0.197 0.000 1.122 578 N HN 0.456 nan 8.380 nan 0.000 0.561 579 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 0.271 29.810 30.300 -1.269 0.000 1.247 579 R HN 0.221 nan 8.270 nan 0.000 0.636 580 L N 0.577 121.546 121.223 -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 0.471 54.970 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 1.329 121.771 120.300 0.237 0.000 2.434 581 Y HA 0.245 4.795 4.550 0.000 0.000 0.341 581 Y C -1.520 174.418 175.900 0.064 0.000 0.965 581 Y CA -3.415 54.758 58.100 0.123 0.000 1.205 581 Y CB -0.192 38.243 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 1.148 63.986 63.100 -0.437 0.000 0.783 582 P CB 0.519 31.909 31.700 -0.517 0.000 0.771 583 S N -0.984 114.717 115.700 0.001 0.000 2.575 583 S HA 0.485 4.955 4.470 0.000 0.000 0.237 583 S C 0.780 175.289 174.600 -0.152 0.000 0.975 583 S CA 0.271 58.551 58.200 0.134 0.000 0.960 583 S CB 0.008 63.427 63.200 0.365 0.000 0.822 583 S HN 0.528 nan 8.310 nan 0.000 0.472 584 G N 1.385 110.030 108.800 -0.258 0.000 2.663 584 G HA2 -0.143 3.818 3.960 0.000 0.000 0.686 584 G HA3 -0.143 3.818 3.960 0.000 0.000 0.686 584 G C -0.425 174.376 174.900 -0.165 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 0.039 4.680 4.640 0.000 0.000 0.204 585 D C 0.754 176.734 176.300 -0.534 0.000 0.964 585 D CA 1.354 55.174 54.000 -0.300 0.000 0.846 585 D CB 0.011 40.577 40.800 -0.390 0.000 0.962 585 D HN 0.485 nan 8.370 nan 0.000 0.490 586 H N 0.433 119.470 119.070 -0.056 0.000 2.786 586 H HA 0.243 4.799 4.556 0.000 0.000 0.284 586 H C 1.028 176.334 175.328 -0.035 0.000 1.104 586 H CA -0.299 55.732 56.048 -0.028 0.000 1.339 586 H CB 1.474 31.232 29.762 -0.007 0.000 1.427 586 H HN -0.208 nan 8.280 nan 0.000 0.497 587 V N 3.644 123.590 119.914 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 0.614 62.975 62.300 0.102 0.000 1.029 587 V CB -1.101 30.748 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 -1.703 118.237 119.800 0.233 0.000 2.362 589 Q HA -0.236 4.104 4.340 0.000 0.000 0.220 589 Q C -0.251 176.026 176.000 0.461 0.000 0.713 589 Q CA 0.549 56.557 55.803 0.342 0.000 1.345 589 Q CB -1.735 27.145 28.738 0.236 0.000 1.570 589 Q HN 0.548 nan 8.270 nan 0.000 0.701 590 W N 1.779 123.167 121.300 0.147 0.000 2.253 590 W HA 0.286 4.946 4.660 0.000 0.000 0.322 590 W C 1.246 177.669 176.519 -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 3.528 118.808 115.700 -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 -0.404 62.224 63.200 -0.954 0.000 0.768 591 S HN 1.728 nan 8.310 nan 0.000 0.520 592 G N 0.616 108.112 108.800 -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 -2.150 0.000 0.643 592 G HN 0.565 nan 8.290 nan 0.000 0.522 593 D N 1.161 121.152 120.400 -0.681 0.000 2.225 593 D HA 0.558 5.198 4.640 0.000 0.000 0.248 593 D C 0.724 177.158 176.300 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 42.060 40.800 -0.129 0.000 1.156 593 D HN 1.373 nan 8.370 nan 0.000 0.450 594 G N 0.183 109.097 108.800 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 -0.991 174.010 174.900 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 2.359 122.308 119.914 0.059 0.000 2.299 595 V HA 0.623 4.744 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 62.913 62.300 -0.004 0.000 0.938 595 V CB -0.332 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 2.763 123.164 120.500 -0.165 0.000 2.781 596 R HA 0.832 5.172 4.340 0.000 0.000 0.269 596 R C 0.465 176.460 176.300 -0.508 0.000 1.025 596 R CA -0.142 55.759 56.100 -0.332 0.000 0.914 596 R CB 1.159 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 1.171 109.567 108.800 -0.673 0.000 2.594 597 G HA2 -0.435 3.526 3.960 0.000 0.000 0.297 597 G HA3 -0.435 3.526 3.960 0.000 0.000 0.297 597 G C 0.569 174.354 174.900 -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 0.445 119.184 119.600 -1.435 0.000 2.144 598 M HA -0.041 4.439 4.480 0.000 0.000 0.260 598 M C 2.420 178.432 176.300 -0.479 0.000 1.067 598 M CA 2.852 57.599 55.300 -0.921 0.000 1.095 598 M CB -0.570 31.803 32.600 -0.379 0.000 1.365 598 M HN 0.629 nan 8.290 nan 0.000 0.406 599 R N -0.434 119.857 120.500 -0.348 0.000 2.096 599 R HA -0.195 4.146 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 1.950 57.949 56.100 -0.170 0.000 0.968 599 R CB -0.364 29.894 30.300 -0.070 0.000 0.861 599 R HN 0.686 nan 8.270 nan 0.000 0.440 600 E N -0.490 119.546 120.200 -0.274 0.000 2.072 600 E HA -0.175 4.176 4.350 0.000 0.000 0.190 600 E C 1.398 178.015 176.600 0.028 0.000 0.982 600 E CA 1.061 57.380 56.400 -0.134 0.000 0.803 600 E CB -0.085 29.526 29.700 -0.149 0.000 0.755 600 E HN 0.404 nan 8.360 nan 0.000 0.453 601 W N 0.725 121.973 121.300 -0.086 0.000 2.363 601 W HA -0.051 4.609 4.660 0.000 0.000 0.296 601 W C 2.093 178.571 176.519 -0.067 0.000 1.212 601 W CA 0.268 57.559 57.345 -0.089 0.000 1.260 601 W CB -0.858 28.524 29.460 -0.130 0.000 1.131 601 W HN 0.165 nan 8.180 nan 0.000 0.530 602 I N -0.031 120.605 120.570 0.109 0.000 2.353 602 I HA -0.072 4.098 4.170 0.000 0.000 0.248 602 I C 2.148 178.282 176.117 0.029 0.000 1.119 602 I CA 1.258 62.583 61.300 0.043 0.000 1.417 602 I CB -1.071 36.920 38.000 -0.015 0.000 1.078 602 I HN 0.079 nan 8.210 nan 0.000 0.421 603 G N 2.445 111.259 108.800 0.023 0.000 2.634 603 G HA2 -0.432 3.529 3.960 0.000 0.000 0.309 603 G HA3 -0.432 3.529 3.960 0.000 0.000 0.309 603 G C 0.478 175.382 174.900 0.006 0.000 1.265 603 G CA 0.750 45.861 45.100 0.018 0.000 0.998 603 G HN 0.535 nan 8.290 nan 0.000 0.551 604 D N 1.133 121.539 120.400 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 1.109 55.112 54.000 0.005 0.000 0.850 604 D CB -0.426 40.379 40.800 0.008 0.000 0.922 604 D HN 2.151 nan 8.370 nan 0.000 0.516 605 G N 0.401 109.202 108.800 0.002 0.000 2.168 605 G HA2 -0.372 3.589 3.960 0.000 0.000 0.263 605 G HA3 -0.372 3.589 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 -0.707 115.002 115.700 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 63.539 63.200 0.021 0.000 0.781 606 S HN 0.623 nan 8.310 nan 0.000 0.521 607 E N 2.499 122.718 120.200 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 0.017 175.567 175.510 0.067 0.000 1.202 608 N CA 0.228 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 -1.881 118.741 120.570 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 0.092 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 2.481 122.926 120.400 0.074 0.000 2.280 610 D HA 0.210 4.851 4.640 0.000 0.000 0.236 610 D C 0.281 176.584 176.300 0.005 0.000 1.082 610 D CA 0.053 54.079 54.000 0.043 0.000 0.834 610 D CB 0.629 41.474 40.800 0.076 0.000 1.100 610 D HN 0.248 nan 8.370 nan 0.000 0.486 611 N N 2.508 121.177 118.700 -0.053 0.000 2.648 611 N HA -0.218 4.522 4.740 0.000 0.000 0.265 611 N C -1.405 174.094 175.510 -0.018 0.000 1.100 611 N CA 1.319 54.338 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 -0.654 113.892 114.554 -0.014 0.000 2.649 612 T HA 0.294 4.644 4.350 0.000 0.000 0.305 612 T C -1.945 172.761 174.700 0.009 0.000 1.409 612 T CA -0.547 61.556 62.100 0.005 0.000 1.021 612 T CB 0.621 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 1.958 40.047 38.000 0.148 0.000 1.227 614 I HN 0.012 nan 8.210 nan 0.000 0.456 615 L N 2.667 123.999 121.223 0.181 0.000 2.409 615 L HA 0.473 4.813 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 -0.443 54.486 54.840 0.150 0.000 0.826 615 L CB 2.331 44.476 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 0.525 5.052 4.527 0.000 0.000 0.361 616 F C -0.977 174.744 175.800 -0.133 0.000 1.117 616 F CA -0.637 57.363 58.000 0.000 0.000 1.037 616 F CB 0.686 39.679 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 -0.225 175.650 175.800 0.125 0.000 1.122 617 F CA -0.656 57.419 58.000 0.124 0.000 1.056 617 F CB 0.745 39.810 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 0.457 5.013 4.556 0.000 0.000 0.333 618 H C -0.805 174.750 175.328 0.378 0.000 1.066 618 H CA -0.589 55.602 56.048 0.238 0.000 1.209 618 H CB 1.162 31.074 29.762 0.249 0.000 1.445 618 H HN 0.504 nan 8.280 nan 0.000 0.488 619 T N 7.507 122.055 114.554 -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 -0.322 68.704 68.868 0.264 0.000 0.919 619 T HN 0.492 nan 8.240 nan 0.000 0.468 620 F N 0.304 120.186 119.950 -0.112 0.000 2.715 620 F HA 0.960 5.487 4.527 0.000 0.000 0.318 620 F C 0.126 176.067 175.800 0.235 0.000 1.141 620 F CA -0.878 57.099 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 0.298 109.187 108.800 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 -3.003 117.670 120.570 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 2.243 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 1.156 115.695 114.554 -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 0.136 68.916 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 -1.171 173.745 175.328 -0.688 0.000 1.043 624 H CA -1.083 54.630 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 -1.989 173.902 175.800 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 4.055 126.987 122.820 0.188 0.000 2.515 627 A HA 0.606 4.926 4.320 0.000 0.000 0.296 627 A C -2.120 175.548 177.584 0.140 0.000 1.094 627 A CA -1.477 50.644 52.037 0.140 0.000 0.718 627 A CB 0.822 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 -0.152 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 4.183 4.350 0.000 0.000 0.196 629 E C 1.322 177.993 176.600 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 0.350 nan 8.360 nan 0.000 0.477 630 D N -0.921 119.579 120.400 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 54.524 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 -1.682 174.135 175.800 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 0.075 nan 4.420 nan 0.000 0.245 632 P C -0.452 176.524 177.300 -0.540 0.000 1.206 632 P CA 0.818 63.160 63.100 -1.263 0.000 0.781 632 P CB 1.126 32.272 31.700 -0.924 0.000 0.994 633 L N 0.307 121.312 121.223 -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 2.784 44.345 42.059 -0.830 0.000 1.285 633 L HN -0.163 nan 8.230 nan 0.000 0.409 634 M N 6.205 125.700 119.600 -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 -1.433 53.818 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 0.272 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 32.233 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 0.421 52.396 52.037 -0.103 0.000 0.757 636 A CB -0.552 18.399 19.000 -0.081 0.000 0.979 636 A HN 0.565 nan 8.150 nan 0.000 0.508 637 E N 3.643 123.765 120.200 -0.130 0.000 2.151 637 E HA 0.415 4.765 4.350 0.000 0.000 0.275 637 E C -2.527 174.007 176.600 -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 62.842 63.100 -0.068 0.000 0.806 638 P CB 1.339 32.998 31.700 -0.069 0.000 0.984 639 I N 0.592 121.138 120.570 -0.039 0.000 2.722 639 I HA 0.521 4.691 4.170 0.000 0.000 0.295 639 I C -0.148 175.949 176.117 -0.034 0.000 1.161 639 I CA -0.524 60.779 61.300 0.004 0.000 1.032 639 I CB 2.633 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 -1.965 172.628 174.700 -0.178 0.000 1.387 640 T CA -0.562 61.459 62.100 -0.132 0.000 1.041 640 T CB 1.570 70.370 68.868 -0.113 0.000 1.287 640 T HN 0.596 nan 8.240 nan 0.000 0.491 641 L N 1.851 122.910 121.223 -0.273 0.000 2.469 641 L HA 0.862 5.202 4.340 0.000 0.000 0.256 641 L C -1.727 175.017 176.870 -0.210 0.000 1.006 641 L CA -1.157 53.528 54.840 -0.259 0.000 0.832 641 L CB 1.873 43.679 42.059 -0.421 0.000 1.421 641 L HN 0.962 nan 8.230 nan 0.000 0.410 642 M N 2.303 121.820 119.600 -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 35.352 32.600 -0.057 0.000 1.712 642 M HN 0.697 nan 8.290 nan 0.000 0.462 643 L N 4.613 125.847 121.223 0.019 0.000 2.316 643 L HA 0.586 4.926 4.340 0.000 0.000 0.280 643 L C -0.811 176.161 176.870 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 43.789 42.059 0.279 0.000 1.221 643 L HN 0.712 nan 8.230 nan 0.000 0.418 644 R N 4.208 124.703 120.500 -0.008 0.000 2.532 644 R HA 0.493 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 1.448 31.683 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 -0.967 176.126 177.300 -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 -0.724 0.000 0.879 646 R N 3.179 123.552 120.500 -0.211 0.000 2.483 646 R HA 0.275 4.615 4.340 0.000 0.000 0.303 646 R C 0.516 176.811 176.300 -0.008 0.000 0.987 646 R CA -0.672 55.343 56.100 -0.141 0.000 0.881 646 R CB 0.163 30.426 30.300 -0.062 0.000 1.177 646 R HN 0.658 nan 8.270 nan 0.000 0.451 647 H N 0.918 120.006 119.070 0.030 0.000 3.237 647 H HA -0.219 4.337 4.556 0.000 0.000 0.231 647 H C 0.696 176.023 175.328 -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 0.418 120.289 119.950 -0.131 0.000 2.179 648 F HA 0.162 4.689 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 0.671 58.474 58.000 -0.329 0.000 1.295 648 F CB 0.222 38.893 39.000 -0.548 0.000 1.041 648 F HN -0.061 nan 8.300 nan 0.000 0.487 649 F N -0.347 119.655 119.950 0.086 0.000 2.457 649 F HA 0.259 4.786 4.527 0.000 0.000 0.330 649 F C 1.669 177.441 175.800 -0.046 0.000 1.069 649 F CA -0.176 57.818 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 -0.225 nan 8.300 nan 0.000 0.492 650 T N -3.158 111.480 114.554 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 62.317 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 0.031 120.321 120.200 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 -1.208 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 -0.119 nan 8.360 nan 0.000 0.449 652 N N 2.246 120.907 118.700 -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 0.008 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 0.667 63.520 63.100 -0.411 0.000 0.770 653 P CB 0.089 31.100 31.700 -1.148 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 1.042 122.329 121.223 0.107 0.000 2.362 655 L HA 0.002 4.343 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 55.855 54.840 0.077 0.000 0.807 655 L CB -0.062 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 -0.303 120.166 120.400 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 1.566 122.192 120.570 0.093 0.000 2.395 657 I HA 0.007 4.178 4.170 0.000 0.000 0.289 657 I C 0.624 176.775 176.117 0.057 0.000 1.023 657 I CA -0.680 60.650 61.300 0.050 0.000 1.350 657 I CB 0.905 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 6.884 126.700 119.800 0.026 0.000 2.262 658 Q HA 0.102 4.442 4.340 0.000 0.000 0.298 658 Q C -2.147 173.869 176.000 0.026 0.000 1.083 658 Q CA -1.119 54.699 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 0.292 177.613 177.300 0.034 0.000 1.223 659 P CA -0.009 63.117 63.100 0.044 0.000 0.784 659 P CB 0.760 32.497 31.700 0.061 0.000 0.923 660 S N -0.017 115.710 115.700 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 1.082 59.325 58.200 0.073 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 -1.671 174.252 175.900 0.037 0.000 1.121 661 Y CA -1.104 57.010 58.100 0.022 0.000 1.037 661 Y CB 1.001 39.472 38.460 0.018 0.000 1.330 661 Y HN -0.055 nan 8.280 nan 0.000 0.452 662 A N 6.531 128.885 122.820 -0.776 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 1.229 20.125 19.000 -0.174 0.000 1.281 662 A HN 0.861 nan 8.150 nan 0.000 0.398 663 M N 3.213 122.609 119.600 -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 1.898 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 0.528 115.054 114.554 -0.046 0.000 2.788 664 T HA 0.310 4.660 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 0.936 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 1.268 115.815 114.554 -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 1.807 63.897 62.100 -0.017 0.000 1.142 665 T CB -0.701 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 1.892 117.583 115.700 -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 59.222 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 1.889 122.082 120.200 -0.011 0.000 2.106 667 E HA -0.000 4.350 4.350 0.000 0.000 0.192 667 E C 2.440 179.042 176.600 0.003 0.000 0.984 667 E CA 0.925 57.319 56.400 -0.010 0.000 0.806 667 E CB -0.434 29.252 29.700 -0.023 0.000 0.750 667 E HN 0.710 nan 8.360 nan 0.000 0.458 668 A N 1.878 124.703 122.820 0.008 0.000 1.902 668 A HA -0.230 4.090 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 1.467 53.518 52.037 0.023 0.000 0.623 668 A CB -0.287 18.726 19.000 0.022 0.000 0.818 668 A HN 0.044 nan 8.150 nan 0.000 0.443 669 K N -0.650 119.756 120.400 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 1.568 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 0.317 120.824 120.500 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 57.601 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 0.575 123.404 122.820 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 53.361 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 1.805 178.004 176.094 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 0.350 56.686 56.287 0.082 0.000 0.969 674 K CB 1.786 34.334 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