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_F DATA FIRST_RESID 15 DATA SEQUENCE SAAPARPAHP LDPLSTAEIK AATNTVKSYF AGKKISFNTV TLREPARKAY DATA SEQUENCE IQWKEQGGPL PPRLAYYVIL EAGKPGVKEG LVDLASLSVI ETRALETVQP DATA SEQUENCE ILTVEDLCST EEVIRNDPAV IEQCVLSGIP ANEMHKVYCD PWTIGYDERW DATA SEQUENCE GTGKRLQQAL VYYRSDEDDS QYSHPLDFCP IVDTEEKKVI FIDIPNRRRK DATA SEQUENCE VSKHKHANFY PKHMIEKVGA MRPEAPPINV TQPEGVSFKM TGNVMEWSNF DATA SEQUENCE KFHIGFNYRE GIVLSDVSYN DHGNVRPIFH RISLSEMIVP FGSPEFPHQR DATA SEQUENCE KHALDIGEYG AGYMTNPLSL GCDcKGVIHY LDAHFSDRAG DPITVKNAVc DATA SEQUENCE IHEEDDGLLF KHSDFRDNFA TSLVTRATKL VVSQIFTAAN XEYCLYWVFM DATA SEQUENCE QDGAIRLDIR LTGILNTYIL GDDEEAGPWG TRVYPNVNAH NHQHLFSLRI DATA SEQUENCE DPRIDGDGNS AAACDAKSSP YPLGSPENMY GNAFYSEKTT FKTVKDSLTN DATA SEQUENCE YESATGRSWD IFNPNKVNPY SGKPPSYKLV STQCPPLLAK EGSLVAKRAP DATA SEQUENCE WASHSVNVVP YKDNRLYPSG DHVPQWSGDG VRGMREWIGD GSENIDNTDI DATA SEQUENCE LFFHTFGITH FPAPEDFPLM PAEPITLMLR PRHFFTENPG LDIQPSYAMT DATA SEQUENCE TSEAKRAVHK E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.603 174.600 0.005 0.000 1.055 15 S CA 0.000 58.204 58.200 0.006 0.000 1.107 15 S CB 0.000 63.205 63.200 0.008 0.000 0.593 16 A N 1.054 123.877 122.820 0.004 0.000 2.302 16 A HA 0.722 5.041 4.320 -0.001 0.000 0.219 16 A C 1.177 178.762 177.584 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 1.954 124.776 122.820 0.004 0.000 2.540 17 A HA 0.466 4.786 4.320 -0.001 0.000 0.239 17 A C -1.659 175.926 177.584 0.002 0.000 1.061 17 A CA -0.768 51.271 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 -0.104 177.198 177.300 0.002 0.000 1.230 18 P CA 0.021 63.119 63.100 -0.003 0.000 0.788 18 P CB 0.629 32.326 31.700 -0.006 0.000 0.949 19 A N 3.244 126.065 122.820 0.002 0.000 2.511 19 A HA 0.113 4.432 4.320 -0.001 0.000 0.242 19 A C 0.660 178.251 177.584 0.012 0.000 1.069 19 A CA -0.167 51.874 52.037 0.008 0.000 0.763 19 A CB -0.321 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 2.034 122.543 120.500 0.014 0.000 2.694 20 R HA 0.302 4.641 4.340 -0.001 0.000 0.268 20 R C -1.930 174.386 176.300 0.027 0.000 1.061 20 R CA -0.924 55.184 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 -0.355 176.993 177.300 0.081 0.000 1.261 21 P CA -0.258 62.880 63.100 0.063 0.000 0.800 21 P CB 1.016 32.762 31.700 0.078 0.000 1.066 22 A N 0.364 123.255 122.820 0.118 0.000 1.930 22 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 22 A C 1.070 178.778 177.584 0.207 0.000 1.175 22 A CA 1.397 53.523 52.037 0.148 0.000 0.627 22 A CB -1.124 17.969 19.000 0.155 0.000 0.815 22 A HN 0.806 nan 8.150 nan 0.000 0.443 23 H N -2.363 116.774 119.070 0.111 0.000 2.600 23 H HA 0.427 4.982 4.556 -0.001 0.000 0.357 23 H C -2.355 172.953 175.328 -0.034 0.000 1.106 23 H CA -1.976 54.138 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 -0.152 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 1.246 64.234 63.100 -0.187 0.000 0.800 24 P CB 0.274 31.654 31.700 -0.533 0.000 0.772 25 L N -2.089 119.237 121.223 0.172 0.000 2.607 25 L HA 0.140 4.479 4.340 -0.001 0.000 0.228 25 L C 0.295 177.060 176.870 -0.175 0.000 1.123 25 L CA -0.186 54.507 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 1.653 122.115 120.400 0.103 0.000 2.443 26 D HA 0.124 4.763 4.640 -0.001 0.000 0.239 26 D C -2.032 174.366 176.300 0.163 0.000 1.136 26 D CA -0.969 53.178 54.000 0.245 0.000 0.879 26 D CB 0.677 41.611 40.800 0.223 0.000 1.195 26 D HN -0.065 nan 8.370 nan 0.000 0.443 27 P HA 0.058 nan 4.420 nan 0.000 0.271 27 P C -0.011 177.383 177.300 0.156 0.000 1.233 27 P CA -0.330 62.880 63.100 0.182 0.000 0.789 27 P CB 0.571 32.402 31.700 0.218 0.000 0.951 28 L N 0.677 121.992 121.223 0.153 0.000 2.490 28 L HA 0.070 4.410 4.340 -0.001 0.000 0.274 28 L C 1.220 178.147 176.870 0.095 0.000 1.201 28 L CA 0.092 55.000 54.840 0.113 0.000 0.869 28 L CB -0.057 42.070 42.059 0.113 0.000 1.123 28 L HN 0.506 nan 8.230 nan 0.000 0.484 29 S N 0.053 115.772 115.700 0.031 0.000 2.624 29 S HA 0.122 4.591 4.470 -0.001 0.000 0.263 29 S C 1.281 175.805 174.600 -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 64.468 63.200 -0.057 0.000 0.950 29 S HN 0.770 nan 8.310 nan 0.000 0.561 30 T N -1.404 112.982 114.554 -0.280 0.000 2.833 30 T HA -0.079 4.271 4.350 -0.001 0.000 0.269 30 T C 1.948 176.581 174.700 -0.111 0.000 1.054 30 T CA 1.096 63.070 62.100 -0.210 0.000 1.135 30 T CB -1.057 67.653 68.868 -0.264 0.000 0.869 30 T HN 0.874 nan 8.240 nan 0.000 0.466 31 A N 1.988 124.750 122.820 -0.097 0.000 1.902 31 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 31 A C 2.332 179.890 177.584 -0.043 0.000 1.181 31 A CA 1.581 53.581 52.037 -0.060 0.000 0.623 31 A CB -0.683 18.289 19.000 -0.047 0.000 0.818 31 A HN 0.651 nan 8.150 nan 0.000 0.443 32 E N -0.319 119.862 120.200 -0.031 0.000 2.110 32 E HA -0.135 4.215 4.350 -0.001 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 3.883 4.170 -0.001 0.000 0.240 33 I C 2.491 178.555 176.117 -0.088 0.000 1.078 33 I CA 1.069 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 4.189 4.320 -0.001 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 0.357 123.143 122.820 -0.057 0.000 1.933 35 A HA -0.054 4.265 4.320 -0.001 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 -0.999 17.989 19.000 -0.019 0.000 0.814 35 A HN 0.414 nan 8.150 nan 0.000 0.444 36 A N -0.222 122.570 122.820 -0.047 0.000 1.873 36 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 36 A C 2.472 179.996 177.584 -0.099 0.000 1.186 36 A CA 2.554 54.568 52.037 -0.039 0.000 0.616 36 A CB -1.424 17.574 19.000 -0.003 0.000 0.823 36 A HN 0.769 nan 8.150 nan 0.000 0.442 37 T N -1.878 112.536 114.554 -0.233 0.000 2.821 37 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 37 T C 1.659 176.288 174.700 -0.119 0.000 1.046 37 T CA 1.407 63.248 62.100 -0.433 0.000 1.139 37 T CB -0.554 67.769 68.868 -0.909 0.000 0.871 37 T HN 0.370 nan 8.240 nan 0.000 0.454 38 N N 1.402 120.053 118.700 -0.082 0.000 2.120 38 N HA -0.061 4.678 4.740 -0.001 0.000 0.188 38 N C 2.100 177.626 175.510 0.028 0.000 1.024 38 N CA 1.832 54.876 53.050 -0.010 0.000 0.852 38 N CB -1.003 37.474 38.487 -0.017 0.000 1.003 38 N HN 0.501 nan 8.380 nan 0.000 0.424 39 T N 1.055 115.614 114.554 0.010 0.000 2.708 39 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 39 T C 2.173 176.898 174.700 0.042 0.000 1.037 39 T CA 0.955 63.067 62.100 0.021 0.000 1.146 39 T CB -0.350 68.519 68.868 0.001 0.000 0.865 39 T HN -0.022 nan 8.240 nan 0.000 0.435 40 V N 1.449 121.383 119.914 0.034 0.000 2.343 40 V HA -0.173 3.946 4.120 -0.001 0.000 0.247 40 V C 2.459 178.712 176.094 0.265 0.000 1.051 40 V CA 1.562 63.902 62.300 0.065 0.000 1.036 40 V CB -0.505 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 0.112 120.680 120.400 0.280 0.000 2.063 41 K HA -0.163 4.157 4.320 -0.001 0.000 0.208 41 K C 2.424 179.124 176.600 0.166 0.000 1.048 41 K CA 1.817 58.252 56.287 0.247 0.000 0.928 41 K CB -0.345 32.279 32.500 0.207 0.000 0.713 41 K HN 0.379 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 -0.001 0.000 0.225 42 S C 1.724 176.340 174.600 0.027 0.000 1.030 42 S CA 1.063 59.300 58.200 0.061 0.000 0.999 42 S CB -0.360 62.867 63.200 0.047 0.000 0.844 42 S HN 0.329 nan 8.310 nan 0.000 0.459 43 Y N 1.004 121.231 120.300 -0.122 0.000 2.224 43 Y HA -0.060 4.489 4.550 -0.001 0.000 0.289 43 Y C 0.740 176.384 175.900 -0.427 0.000 1.146 43 Y CA 1.249 59.161 58.100 -0.312 0.000 1.182 43 Y CB -0.129 38.047 38.460 -0.473 0.000 0.983 43 Y HN 0.189 nan 8.280 nan 0.000 0.524 44 F N 0.802 120.798 119.950 0.077 0.000 2.916 44 F HA 0.441 4.967 4.527 -0.001 0.000 0.294 44 F C 0.850 176.634 175.800 -0.027 0.000 1.189 44 F CA -0.486 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 0.163 123.011 122.820 0.046 0.000 2.567 45 A HA 0.390 4.709 4.320 -0.001 0.000 0.240 45 A C 1.579 179.183 177.584 0.033 0.000 1.053 45 A CA 0.991 53.048 52.037 0.034 0.000 0.755 45 A CB -0.551 18.442 19.000 -0.011 0.000 0.978 45 A HN 1.112 nan 8.150 nan 0.000 0.507 46 G N 1.762 110.584 108.800 0.037 0.000 2.241 46 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.244 46 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.244 46 G C 0.309 175.228 174.900 0.032 0.000 0.998 46 G CA 0.516 45.631 45.100 0.026 0.000 0.621 46 G HN 0.774 nan 8.290 nan 0.000 0.519 47 K N 0.702 121.136 120.400 0.057 0.000 2.143 47 K HA 0.431 4.751 4.320 -0.001 0.000 0.272 47 K C 0.029 176.631 176.600 0.005 0.000 1.001 47 K CA -0.684 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 0.203 4.523 4.320 -0.001 0.000 0.275 48 K C -0.043 176.502 176.600 -0.092 0.000 1.105 48 K CA -0.263 56.001 56.287 -0.039 0.000 0.931 48 K CB -0.189 32.293 32.500 -0.030 0.000 1.296 48 K HN 0.603 nan 8.250 nan 0.000 0.446 49 I N 0.167 120.663 120.570 -0.124 0.000 2.797 49 I HA 0.595 4.765 4.170 -0.001 0.000 0.307 49 I C -0.661 175.310 176.117 -0.244 0.000 1.033 49 I CA -0.818 60.335 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 2.794 118.308 115.700 -0.309 0.000 2.548 50 S HA 0.672 5.141 4.470 -0.001 0.000 0.286 50 S C -1.046 173.343 174.600 -0.351 0.000 1.098 50 S CA -0.650 57.427 58.200 -0.206 0.000 0.930 50 S CB 1.374 64.524 63.200 -0.084 0.000 1.070 50 S HN 0.496 nan 8.310 nan 0.000 0.480 51 F N 2.810 122.742 119.950 -0.029 0.000 2.411 51 F HA 0.463 4.989 4.527 -0.001 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 1.215 40.212 39.000 -0.005 0.000 1.120 51 F HN 0.839 nan 8.300 nan 0.000 0.495 52 N N 1.004 119.769 118.700 0.108 0.000 2.482 52 N HA 0.022 4.762 4.740 -0.001 0.000 0.179 52 N C -0.394 175.179 175.510 0.105 0.000 1.039 52 N CA 0.694 53.789 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 0.565 115.162 114.554 0.072 0.000 3.105 53 T HA 0.439 4.789 4.350 -0.001 0.000 0.321 53 T C -1.403 173.290 174.700 -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 71.260 68.868 -0.305 0.000 1.133 53 T HN -0.151 nan 8.240 nan 0.000 0.463 54 V N 2.779 122.691 119.914 -0.003 0.000 2.462 54 V HA 0.745 4.864 4.120 -0.001 0.000 0.288 54 V C -0.150 175.993 176.094 0.082 0.000 1.020 54 V CA -0.451 61.892 62.300 0.073 0.000 0.857 54 V CB 1.590 33.452 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 4.980 4.350 -0.001 0.000 0.296 55 T C -1.238 173.595 174.700 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 2.997 124.342 121.223 0.204 0.000 2.499 56 L HA 0.580 4.920 4.340 -0.001 0.000 0.273 56 L C 0.188 177.148 176.870 0.150 0.000 1.195 56 L CA 0.074 55.009 54.840 0.157 0.000 0.882 56 L CB 0.401 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 4.496 125.072 120.500 0.125 0.000 2.233 57 R HA 0.304 4.643 4.340 -0.001 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 5.496 125.702 120.200 0.010 0.000 2.437 58 E HA 0.039 4.388 4.350 -0.001 0.000 0.263 58 E C -1.827 174.775 176.600 0.004 0.000 1.030 58 E CA -1.125 55.267 56.400 -0.013 0.000 0.934 58 E CB 0.331 30.001 29.700 -0.049 0.000 0.943 58 E HN 0.561 nan 8.360 nan 0.000 0.444 59 P HA 0.003 nan 4.420 nan 0.000 0.272 59 P C -0.901 176.448 177.300 0.082 0.000 1.230 59 P CA -0.261 62.867 63.100 0.046 0.000 0.788 59 P CB 0.588 32.324 31.700 0.060 0.000 0.949 60 A N 2.339 125.207 122.820 0.082 0.000 2.531 60 A HA -0.035 4.285 4.320 -0.001 0.000 0.236 60 A C 1.859 179.514 177.584 0.118 0.000 1.062 60 A CA -0.010 52.088 52.037 0.101 0.000 0.760 60 A CB -0.390 18.656 19.000 0.077 0.000 0.995 60 A HN 0.692 nan 8.150 nan 0.000 0.501 61 R N 1.275 121.831 120.500 0.092 0.000 2.096 61 R HA -0.205 4.135 4.340 -0.001 0.000 0.240 61 R C 2.096 178.339 176.300 -0.094 0.000 1.139 61 R CA 2.283 58.314 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 -0.328 120.038 120.400 -0.055 0.000 2.026 62 K HA -0.137 4.183 4.320 -0.001 0.000 0.208 62 K C 1.951 178.570 176.600 0.032 0.000 1.048 62 K CA 1.487 57.756 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 0.274 nan 8.250 nan 0.000 0.439 63 A N 0.444 123.304 122.820 0.067 0.000 1.908 63 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 63 A C 2.090 179.758 177.584 0.141 0.000 1.181 63 A CA 1.578 53.668 52.037 0.088 0.000 0.627 63 A CB -0.961 18.085 19.000 0.077 0.000 0.818 63 A HN 0.610 nan 8.150 nan 0.000 0.445 64 Y N 0.451 120.799 120.300 0.079 0.000 2.145 64 Y HA -0.179 4.371 4.550 -0.001 0.000 0.286 64 Y C 2.024 178.071 175.900 0.244 0.000 1.145 64 Y CA 1.872 60.072 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 0.100 120.748 120.570 0.129 0.000 2.286 65 I HA -0.342 3.828 4.170 -0.001 0.000 0.248 65 I C 2.364 178.451 176.117 -0.050 0.000 1.115 65 I CA 1.563 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 -0.393 119.403 119.800 -0.007 0.000 2.084 66 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 66 Q C 2.031 178.015 176.000 -0.027 0.000 0.978 66 Q CA 2.106 57.900 55.803 -0.015 0.000 0.844 66 Q CB -0.301 28.447 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 4.502 4.660 -0.001 0.000 0.301 67 W C 2.056 178.420 176.519 -0.259 0.000 1.205 67 W CA 1.169 58.391 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 -0.466 0.000 2.097 68 K HA -0.146 4.173 4.320 -0.001 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 -0.720 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 -1.140 118.891 120.200 -0.282 0.000 2.572 69 E HA 0.055 4.404 4.350 -0.001 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 0.272 119.981 119.800 -0.151 0.000 2.141 70 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 70 Q C 0.451 176.385 176.000 -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 -0.001 0.000 0.287 71 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.287 71 G C 0.450 175.302 174.900 -0.081 0.000 1.018 71 G CA 0.102 45.110 45.100 -0.154 0.000 0.855 71 G HN 0.513 nan 8.290 nan 0.000 0.507 72 G N -0.005 108.762 108.800 -0.056 0.000 2.634 72 G HA2 0.615 4.575 3.960 -0.001 0.000 0.255 72 G HA3 0.615 4.575 3.960 -0.001 0.000 0.255 72 G C -1.187 173.792 174.900 0.132 0.000 1.205 72 G CA -0.383 44.739 45.100 0.036 0.000 0.884 72 G HN 0.340 nan 8.290 nan 0.000 0.549 73 P HA 0.093 nan 4.420 nan 0.000 0.272 73 P C -0.277 177.146 177.300 0.205 0.000 1.223 73 P CA -0.587 62.600 63.100 0.146 0.000 0.784 73 P CB 1.077 32.821 31.700 0.074 0.000 0.923 74 L N 4.935 126.253 121.223 0.158 0.000 2.477 74 L HA 0.228 4.567 4.340 -0.001 0.000 0.272 74 L C -2.128 174.663 176.870 -0.132 0.000 1.157 74 L CA -1.434 53.352 54.840 -0.090 0.000 0.889 74 L CB -0.867 41.156 42.059 -0.059 0.000 1.158 74 L HN 0.282 nan 8.230 nan 0.000 0.473 75 P HA 0.171 nan 4.420 nan 0.000 0.269 75 P C -2.511 174.734 177.300 -0.091 0.000 1.209 75 P CA -0.726 62.307 63.100 -0.112 0.000 0.776 75 P CB -0.206 31.430 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 3.644 124.135 120.500 -0.016 0.000 2.248 77 R HA 0.329 4.668 4.340 -0.001 0.000 0.337 77 R C -0.889 175.426 176.300 0.024 0.000 1.085 77 R CA 0.208 56.306 56.100 -0.004 0.000 0.934 77 R CB -0.977 29.321 30.300 -0.004 0.000 1.034 77 R HN 0.438 nan 8.270 nan 0.000 0.465 78 L N 2.713 123.959 121.223 0.038 0.000 2.342 78 L HA 0.789 5.129 4.340 -0.001 0.000 0.271 78 L C -0.302 176.627 176.870 0.099 0.000 1.008 78 L CA -1.365 53.515 54.840 0.067 0.000 0.818 78 L CB 2.173 44.272 42.059 0.066 0.000 1.296 78 L HN 0.650 nan 8.230 nan 0.000 0.427 79 A N 1.648 124.546 122.820 0.130 0.000 2.330 79 A HA 0.564 4.884 4.320 -0.001 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 3.435 123.801 120.300 0.110 0.000 2.323 80 Y HA 0.594 5.144 4.550 -0.001 0.000 0.331 80 Y C -0.802 175.175 175.900 0.127 0.000 1.092 80 Y CA -0.907 57.230 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 3.177 123.142 120.300 -0.558 0.000 2.576 81 Y HA 0.828 5.377 4.550 -0.001 0.000 0.346 81 Y C -2.093 173.454 175.900 -0.589 0.000 1.018 81 Y CA -1.870 55.978 58.100 -0.420 0.000 1.050 81 Y CB 1.160 39.602 38.460 -0.030 0.000 1.280 81 Y HN 0.358 nan 8.280 nan 0.000 0.474 82 V N 4.766 124.594 119.914 -0.145 0.000 2.569 82 V HA 0.562 4.681 4.120 -0.001 0.000 0.301 82 V C -0.339 175.753 176.094 -0.004 0.000 1.044 82 V CA -0.703 61.523 62.300 -0.122 0.000 0.874 82 V CB 1.367 33.144 31.823 -0.076 0.000 1.002 82 V HN 0.881 nan 8.190 nan 0.000 0.424 83 I N 2.559 123.089 120.570 -0.067 0.000 3.042 83 I HA 0.732 4.901 4.170 -0.001 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 2.122 123.195 121.223 -0.250 0.000 2.342 84 L HA 0.572 4.912 4.340 -0.001 0.000 0.271 84 L C -0.457 176.275 176.870 -0.229 0.000 1.008 84 L CA -0.275 54.448 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 -0.001 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 2.737 125.505 122.820 -0.087 0.000 2.584 86 A HA 0.341 4.661 4.320 -0.001 0.000 0.239 86 A C 1.254 178.811 177.584 -0.045 0.000 1.043 86 A CA 1.087 53.090 52.037 -0.057 0.000 0.756 86 A CB -0.468 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 1.387 110.166 108.800 -0.035 0.000 2.189 87 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.267 87 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.267 87 G C 0.213 175.098 174.900 -0.026 0.000 0.975 87 G CA 0.819 45.904 45.100 -0.025 0.000 0.644 87 G HN 0.757 nan 8.290 nan 0.000 0.537 88 K N 1.046 121.423 120.400 -0.039 0.000 2.244 88 K HA 0.494 4.814 4.320 -0.001 0.000 0.260 88 K C -2.231 174.346 176.600 -0.038 0.000 0.951 88 K CA -1.782 54.482 56.287 -0.038 0.000 0.826 88 K CB 2.510 34.977 32.500 -0.055 0.000 1.108 88 K HN 0.179 nan 8.250 nan 0.000 0.433 89 P HA 0.163 nan 4.420 nan 0.000 0.275 89 P C 0.545 177.825 177.300 -0.033 0.000 1.228 89 P CA 0.254 63.342 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 1.050 109.828 108.800 -0.036 0.000 2.547 90 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.271 90 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.271 90 G C -0.207 174.634 174.900 -0.099 0.000 1.209 90 G CA 0.515 45.578 45.100 -0.060 0.000 0.959 90 G HN 0.929 nan 8.290 nan 0.000 0.563 91 V N -3.923 115.910 119.914 -0.134 0.000 3.165 91 V HA 0.966 5.085 4.120 -0.001 0.000 0.309 91 V C -0.498 175.514 176.094 -0.136 0.000 1.267 91 V CA -0.526 61.677 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 0.835 121.154 120.400 -0.134 0.000 2.427 92 K HA 0.650 4.970 4.320 -0.001 0.000 0.252 92 K C -1.258 175.298 176.600 -0.072 0.000 0.931 92 K CA -0.505 55.739 56.287 -0.071 0.000 0.793 92 K CB 2.450 34.893 32.500 -0.095 0.000 1.211 92 K HN 1.020 nan 8.250 nan 0.000 0.426 93 E N 0.795 120.936 120.200 -0.100 0.000 2.416 93 E HA 0.822 5.171 4.350 -0.001 0.000 0.273 93 E C -0.403 175.884 176.600 -0.521 0.000 0.935 93 E CA -1.261 54.929 56.400 -0.350 0.000 0.784 93 E CB 2.309 31.961 29.700 -0.081 0.000 1.301 93 E HN 0.623 nan 8.360 nan 0.000 0.454 94 G N 0.248 108.389 108.800 -1.098 0.000 2.340 94 G HA2 0.422 4.381 3.960 -0.001 0.000 0.299 94 G HA3 0.422 4.381 3.960 -0.001 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 -0.001 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 2.315 44.433 42.059 0.099 0.000 1.310 95 L HN 0.333 nan 8.230 nan 0.000 0.416 96 V N 0.870 120.910 119.914 0.209 0.000 2.448 96 V HA 0.188 4.308 4.120 -0.001 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 2.016 33.916 31.823 0.128 0.000 0.988 96 V HN 0.721 nan 8.190 nan 0.000 0.431 97 D N 3.807 124.240 120.400 0.055 0.000 2.365 97 D HA 0.285 4.924 4.640 -0.001 0.000 0.237 97 D C 1.064 177.384 176.300 0.034 0.000 1.190 97 D CA -0.169 53.855 54.000 0.041 0.000 0.867 97 D CB 0.934 41.752 40.800 0.030 0.000 1.050 97 D HN 0.446 nan 8.370 nan 0.000 0.491 98 L N 3.429 124.672 121.223 0.034 0.000 2.079 98 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 98 L C 2.408 179.288 176.870 0.017 0.000 1.081 98 L CA 1.207 56.062 54.840 0.025 0.000 0.752 98 L CB -0.426 41.648 42.059 0.025 0.000 0.896 98 L HN 0.556 nan 8.230 nan 0.000 0.433 99 A N 0.047 122.877 122.820 0.015 0.000 1.877 99 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 99 A C 2.370 179.962 177.584 0.013 0.000 1.186 99 A CA 2.119 54.163 52.037 0.012 0.000 0.620 99 A CB -0.581 18.425 19.000 0.010 0.000 0.822 99 A HN 0.508 nan 8.150 nan 0.000 0.443 100 S N -1.193 114.517 115.700 0.015 0.000 2.577 100 S HA 0.396 4.866 4.470 -0.001 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 2.055 123.288 121.223 0.017 0.000 3.854 101 L HA -0.192 4.148 4.340 -0.001 0.000 0.460 101 L C 0.050 176.932 176.870 0.019 0.000 1.228 101 L CA 0.527 55.377 54.840 0.016 0.000 0.760 101 L CB -2.354 39.712 42.059 0.013 0.000 1.597 101 L HN 0.723 nan 8.230 nan 0.000 0.852 102 S N -2.317 113.394 115.700 0.019 0.000 2.564 102 S HA 0.718 5.188 4.470 -0.001 0.000 0.274 102 S C -0.404 174.191 174.600 -0.008 0.000 1.124 102 S CA -1.052 57.157 58.200 0.015 0.000 0.869 102 S CB 2.498 65.713 63.200 0.024 0.000 1.105 102 S HN -0.031 nan 8.310 nan 0.000 0.472 103 V N 3.257 123.127 119.914 -0.074 0.000 2.439 103 V HA 0.215 4.335 4.120 -0.001 0.000 0.271 103 V C 1.173 177.203 176.094 -0.106 0.000 1.040 103 V CA -0.122 62.082 62.300 -0.161 0.000 1.002 103 V CB 0.182 31.634 31.823 -0.617 0.000 1.000 103 V HN 0.899 nan 8.190 nan 0.000 0.477 104 I N 1.293 121.847 120.570 -0.028 0.000 4.057 104 I HA 0.528 4.698 4.170 -0.001 0.000 0.334 104 I C 0.551 176.667 176.117 -0.001 0.000 1.308 104 I CA 0.286 61.583 61.300 -0.005 0.000 1.125 104 I CB 0.456 38.467 38.000 0.018 0.000 1.034 104 I HN 0.630 nan 8.210 nan 0.000 0.401 105 E N 0.627 120.822 120.200 -0.008 0.000 2.354 105 E HA 0.474 4.824 4.350 -0.001 0.000 0.283 105 E C -1.378 175.221 176.600 -0.002 0.000 0.938 105 E CA -0.464 55.939 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 2.634 117.201 114.554 0.022 0.000 2.957 106 T HA 0.591 4.941 4.350 -0.001 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 0.913 69.854 68.868 0.122 0.000 1.319 106 T HN 0.650 nan 8.240 nan 0.000 0.485 107 R N 1.734 122.291 120.500 0.095 0.000 2.663 107 R HA 0.833 5.173 4.340 -0.001 0.000 0.267 107 R C -1.556 174.789 176.300 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 2.218 125.078 122.820 0.067 0.000 2.301 108 A HA 0.675 4.995 4.320 -0.001 0.000 0.312 108 A C -1.045 176.547 177.584 0.013 0.000 1.182 108 A CA -0.709 51.348 52.037 0.033 0.000 0.826 108 A CB 0.875 19.900 19.000 0.042 0.000 1.134 108 A HN 0.415 nan 8.150 nan 0.000 0.501 109 L N 2.562 123.773 121.223 -0.021 0.000 2.417 109 L HA 0.340 4.679 4.340 -0.001 0.000 0.259 109 L C 0.839 177.685 176.870 -0.039 0.000 1.023 109 L CA 0.268 55.092 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 0.152 120.345 120.200 -0.012 0.000 2.358 110 E HA -0.046 4.303 4.350 -0.001 0.000 0.195 110 E C 0.537 177.141 176.600 0.006 0.000 1.010 110 E CA 1.000 57.395 56.400 -0.008 0.000 0.856 110 E CB 0.330 30.033 29.700 0.005 0.000 0.795 110 E HN 0.627 nan 8.360 nan 0.000 0.504 111 T N -1.393 113.172 114.554 0.018 0.000 3.275 111 T HA 0.426 4.776 4.350 -0.001 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 69.125 68.868 0.061 0.000 1.126 111 T HN -0.173 nan 8.240 nan 0.000 0.538 112 V N 0.778 120.705 119.914 0.023 0.000 3.078 112 V HA 0.619 4.739 4.120 -0.001 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 3.991 123.814 119.800 0.039 0.000 2.356 113 Q HA 0.537 4.877 4.340 -0.001 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 2.750 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 0.054 177.422 177.300 0.114 0.000 1.281 114 P CA -0.716 62.459 63.100 0.124 0.000 0.811 114 P CB 1.275 33.015 31.700 0.068 0.000 1.154 115 I N 0.208 120.871 120.570 0.154 0.000 2.880 115 I HA -0.078 4.091 4.170 -0.001 0.000 0.296 115 I C -0.018 176.175 176.117 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 7.731 129.017 121.223 0.105 0.000 2.278 116 L HA 0.230 4.570 4.340 -0.001 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 0.778 42.958 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 4.546 4.350 -0.001 0.000 0.282 117 T C 1.393 176.015 174.700 -0.131 0.000 0.993 117 T CA -0.885 61.086 62.100 -0.215 0.000 0.994 117 T CB 1.437 70.100 68.868 -0.343 0.000 1.025 117 T HN 0.194 nan 8.240 nan 0.000 0.529 118 V N 1.289 121.080 119.914 -0.204 0.000 2.392 118 V HA -0.147 3.973 4.120 -0.001 0.000 0.249 118 V C 2.809 178.876 176.094 -0.045 0.000 1.059 118 V CA 2.114 64.366 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 -0.239 119.922 120.200 -0.066 0.000 2.106 119 E HA -0.213 4.137 4.350 -0.001 0.000 0.192 119 E C 1.969 178.562 176.600 -0.011 0.000 0.984 119 E CA 1.304 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 0.563 120.954 120.400 -0.015 0.000 2.144 120 D HA -0.132 4.508 4.640 -0.001 0.000 0.199 120 D C 1.925 178.244 176.300 0.031 0.000 0.984 120 D CA 0.958 54.964 54.000 0.010 0.000 0.834 120 D CB -0.006 40.806 40.800 0.021 0.000 0.955 120 D HN 0.192 nan 8.370 nan 0.000 0.465 121 L N 0.637 121.881 121.223 0.036 0.000 2.307 121 L HA -0.001 4.338 4.340 -0.001 0.000 0.211 121 L C 2.718 179.615 176.870 0.046 0.000 1.099 121 L CA 0.321 55.193 54.840 0.053 0.000 0.816 121 L CB -0.296 41.792 42.059 0.048 0.000 0.952 121 L HN 0.170 nan 8.230 nan 0.000 0.455 122 C N -1.048 118.271 119.300 0.031 0.000 2.411 122 C HA -0.096 4.364 4.460 -0.001 0.000 0.279 122 C C 2.920 177.930 174.990 0.034 0.000 1.288 122 C CA 0.630 59.669 59.018 0.034 0.000 1.764 122 C CB -1.265 26.491 27.740 0.025 0.000 1.974 122 C HN 0.588 nan 8.230 nan 0.000 0.498 123 S N 0.071 115.788 115.700 0.029 0.000 2.501 123 S HA -0.034 4.435 4.470 -0.001 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 4.191 4.350 -0.001 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 -0.406 68.504 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 -0.001 0.000 0.194 125 E C 2.243 178.847 176.600 0.007 0.000 0.994 125 E CA 1.190 57.612 56.400 0.036 0.000 0.801 125 E CB -0.016 29.705 29.700 0.034 0.000 0.743 125 E HN 0.293 nan 8.360 nan 0.000 0.453 126 E N -0.131 120.071 120.200 0.003 0.000 2.106 126 E HA -0.127 4.223 4.350 -0.001 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 0.247 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 3.928 4.120 -0.001 0.000 0.246 127 V C 2.123 178.230 176.094 0.021 0.000 1.047 127 V CA 1.873 64.181 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 -1.471 119.119 120.570 0.033 0.000 2.439 128 I HA -0.110 4.059 4.170 -0.001 0.000 0.251 128 I C 2.658 178.804 176.117 0.048 0.000 1.139 128 I CA 1.528 62.859 61.300 0.052 0.000 1.438 128 I CB -0.749 37.299 38.000 0.081 0.000 1.085 128 I HN 0.130 nan 8.210 nan 0.000 0.427 129 R N 1.301 121.819 120.500 0.030 0.000 2.120 129 R HA -0.043 4.296 4.340 -0.001 0.000 0.234 129 R C 1.312 177.624 176.300 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 0.740 119.448 118.700 0.014 0.000 2.270 130 N HA -0.040 4.700 4.740 -0.001 0.000 0.198 130 N C -0.692 174.821 175.510 0.006 0.000 1.117 130 N CA 0.221 53.277 53.050 0.009 0.000 0.845 130 N CB 0.373 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 0.736 121.142 120.400 0.009 0.000 2.277 131 D HA 0.190 4.829 4.640 -0.001 0.000 0.249 131 D C -1.618 174.674 176.300 -0.012 0.000 1.134 131 D CA -1.993 52.007 54.000 0.000 0.000 0.863 131 D CB 2.004 42.807 40.800 0.006 0.000 1.143 131 D HN -0.117 nan 8.370 nan 0.000 0.458 132 P HA -0.162 nan 4.420 nan 0.000 0.215 132 P C 0.841 178.107 177.300 -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 -0.771 122.010 122.820 -0.066 0.000 1.902 133 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 133 A C 2.334 179.828 177.584 -0.151 0.000 1.181 133 A CA 1.761 53.733 52.037 -0.108 0.000 0.623 133 A CB -1.677 17.259 19.000 -0.108 0.000 0.818 133 A HN 0.025 nan 8.150 nan 0.000 0.443 134 V N 0.304 120.159 119.914 -0.099 0.000 2.307 134 V HA -0.263 3.857 4.120 -0.001 0.000 0.245 134 V C 2.425 178.458 176.094 -0.101 0.000 1.045 134 V CA 1.976 64.221 62.300 -0.091 0.000 1.024 134 V CB -0.693 31.165 31.823 0.057 0.000 0.651 134 V HN 0.572 nan 8.190 nan 0.000 0.449 135 I N 0.143 120.683 120.570 -0.049 0.000 2.163 135 I HA -0.309 3.861 4.170 -0.001 0.000 0.243 135 I C 2.617 178.690 176.117 -0.073 0.000 1.085 135 I CA 2.177 63.459 61.300 -0.031 0.000 1.347 135 I CB -0.420 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 -0.001 0.000 0.194 136 E C 2.201 178.690 176.600 -0.185 0.000 0.994 136 E CA 1.198 57.524 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 0.001 119.605 119.800 -0.326 0.000 2.167 137 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 137 Q C 2.378 178.169 176.000 -0.348 0.000 0.970 137 Q CA 1.175 56.647 55.803 -0.552 0.000 0.855 137 Q CB -0.599 27.360 28.738 -1.299 0.000 0.911 137 Q HN 0.447 nan 8.270 nan 0.000 0.438 138 C N -0.340 118.865 119.300 -0.158 0.000 2.446 138 C HA -0.049 4.410 4.460 -0.001 0.000 0.277 138 C C 2.857 177.847 174.990 0.001 0.000 1.275 138 C CA 0.332 59.383 59.018 0.055 0.000 1.727 138 C CB -0.906 26.898 27.740 0.108 0.000 2.010 138 C HN 0.249 nan 8.230 nan 0.000 0.486 139 V N 0.682 120.576 119.914 -0.035 0.000 2.287 139 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 139 V C 2.379 178.450 176.094 -0.039 0.000 1.053 139 V CA 1.671 63.952 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 2.191 140 L HA -0.097 4.242 4.340 -0.001 0.000 0.212 140 L C 2.302 179.156 176.870 -0.028 0.000 1.103 140 L CA 1.766 56.573 54.840 -0.055 0.000 0.769 140 L CB -0.848 41.159 42.059 -0.087 0.000 0.908 140 L HN 0.290 nan 8.230 nan 0.000 0.438 141 S N -0.989 114.707 115.700 -0.007 0.000 2.593 141 S HA 0.310 4.780 4.470 -0.001 0.000 0.217 141 S C 1.379 175.970 174.600 -0.015 0.000 0.966 141 S CA 0.597 58.813 58.200 0.026 0.000 0.914 141 S CB 0.159 63.434 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 3.777 3.960 -0.001 0.000 0.203 142 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.203 142 G C -0.107 174.742 174.900 -0.085 0.000 0.993 142 G CA -0.508 44.560 45.100 -0.054 0.000 0.661 142 G HN 0.472 nan 8.290 nan 0.000 0.518 143 I N 1.544 122.073 120.570 -0.069 0.000 2.382 143 I HA 0.315 4.485 4.170 -0.001 0.000 0.286 143 I C -2.240 173.871 176.117 -0.010 0.000 1.002 143 I CA -2.487 58.771 61.300 -0.071 0.000 1.135 143 I CB 2.113 40.073 38.000 -0.067 0.000 1.288 143 I HN -0.173 nan 8.210 nan 0.000 0.448 144 P HA -0.006 nan 4.420 nan 0.000 0.266 144 P C 0.560 177.883 177.300 0.038 0.000 1.195 144 P CA 0.079 63.192 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 3.846 126.684 122.820 0.029 0.000 2.024 145 A HA -0.220 4.099 4.320 -0.001 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 -0.001 0.000 0.204 146 N C 0.295 175.918 175.510 0.188 0.000 1.166 146 N CA 0.290 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 -0.116 120.183 120.200 0.164 0.000 2.812 147 E HA 0.177 4.526 4.350 -0.001 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 4.355 4.480 -0.001 0.000 0.264 148 M C 1.907 178.212 176.300 0.007 0.000 1.064 148 M CA 1.384 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 0.353 nan 8.290 nan 0.000 0.440 149 H N -1.038 118.019 119.070 -0.022 0.000 2.559 149 H HA 0.040 4.595 4.556 -0.001 0.000 0.273 149 H C 0.999 176.258 175.328 -0.114 0.000 1.000 149 H CA 0.709 56.702 56.048 -0.091 0.000 1.195 149 H CB -0.457 29.272 29.762 -0.056 0.000 1.368 149 H HN 0.362 nan 8.280 nan 0.000 0.592 150 K N 0.836 120.965 120.400 -0.452 0.000 2.367 150 K HA 0.214 4.533 4.320 -0.001 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 33.588 32.500 -0.278 0.000 0.845 150 K HN -0.000 nan 8.250 nan 0.000 0.529 151 V N 2.029 121.958 119.914 0.024 0.000 2.465 151 V HA 0.215 4.334 4.120 -0.001 0.000 0.279 151 V C -0.642 175.452 176.094 -0.000 0.000 1.045 151 V CA -0.449 61.947 62.300 0.160 0.000 0.938 151 V CB 0.350 32.257 31.823 0.139 0.000 0.986 151 V HN 0.034 nan 8.190 nan 0.000 0.467 152 Y N 2.612 122.955 120.300 0.072 0.000 2.634 152 Y HA 0.788 5.338 4.550 -0.001 0.000 0.340 152 Y C 0.174 176.142 175.900 0.113 0.000 1.058 152 Y CA -1.010 57.131 58.100 0.068 0.000 1.081 152 Y CB 2.068 40.544 38.460 0.027 0.000 1.295 152 Y HN 0.867 nan 8.280 nan 0.000 0.487 153 C N -0.962 118.518 119.300 0.300 0.000 3.090 153 C HA 0.596 5.055 4.460 -0.001 0.000 0.347 153 C C -1.782 173.381 174.990 0.288 0.000 1.147 153 C CA -0.980 58.197 59.018 0.265 0.000 1.305 153 C CB 1.318 29.145 27.740 0.144 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.703 125.326 120.400 0.372 0.000 2.313 154 D HA 0.454 5.093 4.640 -0.001 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 0.402 0.000 0.847 154 D CB 1.835 42.981 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 1.299 122.663 121.300 0.107 0.000 2.719 156 W HA 0.396 5.055 4.660 -0.001 0.000 0.352 156 W C 0.879 177.515 176.519 0.196 0.000 1.085 156 W CA -0.398 57.059 57.345 0.187 0.000 1.187 156 W CB 1.235 30.771 29.460 0.127 0.000 1.417 156 W HN 0.178 nan 8.180 nan 0.000 0.557 157 T N 1.940 116.792 114.554 0.496 0.000 2.900 157 T HA 0.054 4.403 4.350 -0.001 0.000 0.307 157 T C 0.979 175.811 174.700 0.221 0.000 1.065 157 T CA -0.182 62.060 62.100 0.236 0.000 1.105 157 T CB 0.383 69.270 68.868 0.032 0.000 0.979 157 T HN 0.491 nan 8.240 nan 0.000 0.544 158 I N 2.521 123.164 120.570 0.121 0.000 3.176 158 I HA 0.120 4.290 4.170 -0.001 0.000 0.275 158 I C 1.652 177.803 176.117 0.056 0.000 1.298 158 I CA 1.311 62.656 61.300 0.075 0.000 1.445 158 I CB -0.857 37.163 38.000 0.033 0.000 1.075 158 I HN 1.099 nan 8.210 nan 0.000 0.482 159 G N 0.895 109.729 108.800 0.058 0.000 4.766 159 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.314 159 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.314 159 G C -0.012 174.993 174.900 0.176 0.000 1.427 159 G CA 0.581 45.676 45.100 -0.009 0.000 1.024 159 G HN 0.444 nan 8.290 nan 0.000 0.754 160 Y N 1.779 122.117 120.300 0.062 0.000 2.376 160 Y HA 0.564 5.113 4.550 -0.001 0.000 0.321 160 Y C -2.177 173.781 175.900 0.096 0.000 1.189 160 Y CA -0.589 57.569 58.100 0.096 0.000 1.069 160 Y CB 1.974 40.489 38.460 0.093 0.000 1.292 160 Y HN 0.465 nan 8.280 nan 0.000 0.430 161 D N 5.690 125.660 120.400 -0.716 0.000 2.542 161 D HA 0.127 4.766 4.640 -0.001 0.000 0.252 161 D C 0.613 176.482 176.300 -0.718 0.000 1.222 161 D CA -0.236 53.494 54.000 -0.450 0.000 0.895 161 D CB 1.434 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 3.637 123.479 120.200 -0.596 0.000 2.396 162 E HA -0.192 4.158 4.350 -0.001 0.000 0.200 162 E C 0.806 177.211 176.600 -0.326 0.000 1.023 162 E CA 0.636 56.833 56.400 -0.338 0.000 0.857 162 E CB -0.012 29.652 29.700 -0.059 0.000 0.775 162 E HN 0.471 nan 8.360 nan 0.000 0.525 163 R N -0.820 119.387 120.500 -0.488 0.000 2.193 163 R HA 0.036 4.376 4.340 -0.001 0.000 0.213 163 R C 1.242 176.983 176.300 -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 -0.868 120.329 121.300 -0.172 0.000 2.520 164 W HA 0.307 4.967 4.660 -0.001 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 -0.046 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 3.529 3.960 -0.001 0.000 0.309 165 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.309 165 G C 0.787 175.801 174.900 0.191 0.000 1.265 165 G CA 2.318 47.509 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 -0.001 0.000 0.260 166 T C 2.137 176.903 174.700 0.111 0.000 1.027 166 T CA 1.022 63.214 62.100 0.154 0.000 0.913 166 T CB 0.664 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 1.887 110.761 108.800 0.124 0.000 2.450 167 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.220 167 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.220 167 G C 0.468 175.413 174.900 0.075 0.000 1.130 167 G CA 0.331 45.493 45.100 0.104 0.000 0.760 167 G HN 0.515 nan 8.290 nan 0.000 0.557 168 K N -0.870 119.569 120.400 0.064 0.000 2.435 168 K HA 0.410 4.729 4.320 -0.001 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 34.851 32.500 -0.075 0.000 1.292 168 K HN -0.042 nan 8.250 nan 0.000 0.436 169 R N 2.786 123.271 120.500 -0.025 0.000 2.210 169 R HA 0.228 4.568 4.340 -0.001 0.000 0.338 169 R C -1.056 175.218 176.300 -0.043 0.000 1.062 169 R CA -0.398 55.693 56.100 -0.015 0.000 0.902 169 R CB 0.213 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 2.895 124.095 121.223 -0.039 0.000 2.319 170 L HA 0.494 4.834 4.340 -0.001 0.000 0.267 170 L C -0.248 176.618 176.870 -0.006 0.000 1.011 170 L CA -0.643 54.154 54.840 -0.072 0.000 0.818 170 L CB 1.978 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 0.688 120.486 119.800 -0.004 0.000 2.451 171 Q HA 0.606 4.945 4.340 -0.001 0.000 0.281 171 Q C -1.389 174.638 176.000 0.046 0.000 1.099 171 Q CA -0.839 55.005 55.803 0.067 0.000 0.806 171 Q CB 3.289 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 -0.095 119.760 119.800 0.093 0.000 2.377 172 Q HA 0.847 5.186 4.340 -0.001 0.000 0.271 172 Q C -1.549 174.488 176.000 0.061 0.000 1.077 172 Q CA -1.072 54.754 55.803 0.038 0.000 0.820 172 Q CB 2.061 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 3.804 126.635 122.820 0.019 0.000 2.291 173 A HA 0.496 4.815 4.320 -0.001 0.000 0.311 173 A C -0.585 176.955 177.584 -0.074 0.000 1.224 173 A CA -0.846 51.210 52.037 0.031 0.000 0.821 173 A CB 0.640 19.674 19.000 0.057 0.000 1.172 173 A HN 0.787 nan 8.150 nan 0.000 0.494 174 L N 3.852 125.024 121.223 -0.084 0.000 2.283 174 L HA 0.255 4.594 4.340 -0.001 0.000 0.287 174 L C -0.381 176.372 176.870 -0.195 0.000 1.073 174 L CA -0.506 54.212 54.840 -0.203 0.000 0.822 174 L CB 0.819 42.780 42.059 -0.162 0.000 1.186 174 L HN 0.424 nan 8.230 nan 0.000 0.436 175 V N 4.338 123.999 119.914 -0.421 0.000 2.546 175 V HA 0.308 4.428 4.120 -0.001 0.000 0.284 175 V C -0.394 175.326 176.094 -0.623 0.000 1.050 175 V CA -0.230 61.834 62.300 -0.395 0.000 0.981 175 V CB 0.899 32.404 31.823 -0.531 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.789 123.091 120.300 0.002 0.000 2.638 176 Y HA 0.636 5.185 4.550 -0.001 0.000 0.339 176 Y C -0.777 175.237 175.900 0.190 0.000 1.084 176 Y CA -0.994 57.133 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 1.061 121.522 120.300 0.268 0.000 2.442 177 Y HA 0.684 5.234 4.550 -0.001 0.000 0.344 177 Y C -1.244 174.794 175.900 0.229 0.000 0.976 177 Y CA -1.344 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 0.551 nan 8.280 nan 0.000 0.451 178 R N 3.293 123.384 120.500 -0.682 0.000 2.393 178 R HA 0.271 4.610 4.340 -0.001 0.000 0.315 178 R C 0.617 176.202 176.300 -1.191 0.000 0.952 178 R CA -0.012 55.590 56.100 -0.829 0.000 0.842 178 R CB 1.775 31.682 30.300 -0.654 0.000 1.163 178 R HN 0.918 nan 8.270 nan 0.000 0.450 179 S N 0.652 115.668 115.700 -1.141 0.000 2.428 179 S HA -0.099 4.370 4.470 -0.001 0.000 0.230 179 S C 0.455 174.809 174.600 -0.410 0.000 1.014 179 S CA 0.773 58.615 58.200 -0.595 0.000 0.957 179 S CB 0.037 63.063 63.200 -0.289 0.000 0.784 179 S HN 0.669 nan 8.310 nan 0.000 0.499 180 D N -0.065 120.051 120.400 -0.474 0.000 2.857 180 D HA 0.230 4.869 4.640 -0.001 0.000 0.227 180 D C 0.701 176.825 176.300 -0.294 0.000 1.192 180 D CA -0.492 53.338 54.000 -0.283 0.000 0.857 180 D CB 1.544 42.217 40.800 -0.213 0.000 1.645 180 D HN 0.165 nan 8.370 nan 0.000 0.482 181 E N 1.489 121.589 120.200 -0.168 0.000 2.209 181 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 181 E C 0.150 176.620 176.600 -0.217 0.000 0.993 181 E CA 1.127 57.444 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 -0.001 0.000 0.220 182 D C -0.186 175.956 176.300 -0.263 0.000 1.039 182 D CA 0.253 54.110 54.000 -0.238 0.000 0.866 182 D CB -0.086 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 0.047 120.234 120.400 -0.355 0.000 2.360 183 D HA 0.011 4.651 4.640 -0.001 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 41.284 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 -0.001 0.000 0.304 184 S C 1.199 175.739 174.600 -0.100 0.000 1.095 184 S CA -0.674 57.412 58.200 -0.189 0.000 1.089 184 S CB 0.504 63.625 63.200 -0.132 0.000 0.968 184 S HN 0.360 nan 8.310 nan 0.000 0.480 185 Q N 4.155 123.774 119.800 -0.302 0.000 2.291 185 Q HA -0.169 4.171 4.340 -0.001 0.000 0.206 185 Q C 0.427 176.278 176.000 -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 27.789 28.738 -0.549 0.000 0.927 185 Q HN 0.887 nan 8.270 nan 0.000 0.450 186 Y N 2.183 122.437 120.300 -0.076 0.000 2.556 186 Y HA -0.128 4.421 4.550 -0.001 0.000 0.290 186 Y C 2.523 178.610 175.900 0.312 0.000 1.149 186 Y CA 1.225 59.334 58.100 0.014 0.000 1.329 186 Y CB -0.152 38.328 38.460 0.033 0.000 0.975 186 Y HN 0.373 nan 8.280 nan 0.000 0.561 187 S N -1.882 114.052 115.700 0.389 0.000 2.558 187 S HA -0.013 4.456 4.470 -0.001 0.000 0.217 187 S C 0.152 174.813 174.600 0.103 0.000 0.975 187 S CA 0.217 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 2.273 121.393 119.070 0.083 0.000 2.386 188 H HA 0.458 5.014 4.556 -0.001 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 0.769 30.568 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 -0.057 177.094 177.300 -0.248 0.000 1.240 189 P CA -0.299 62.697 63.100 -0.173 0.000 0.798 189 P CB 1.996 33.558 31.700 -0.230 0.000 0.979 190 L N 1.718 122.719 121.223 -0.369 0.000 2.400 190 L HA 0.237 4.577 4.340 -0.001 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 0.682 42.491 42.059 -0.416 0.000 1.240 190 L HN 0.391 nan 8.230 nan 0.000 0.461 191 D N -0.623 119.687 120.400 -0.150 0.000 2.348 191 D HA -0.040 4.600 4.640 -0.001 0.000 0.211 191 D C 0.150 176.589 176.300 0.231 0.000 0.998 191 D CA 0.248 54.262 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 -0.568 119.430 119.950 0.081 0.000 2.497 192 F HA 0.614 5.140 4.527 -0.001 0.000 0.331 192 F C -0.477 175.345 175.800 0.036 0.000 1.060 192 F CA -2.238 55.801 58.000 0.064 0.000 0.989 192 F CB 1.058 40.071 39.000 0.022 0.000 1.245 192 F HN -0.126 nan 8.300 nan 0.000 0.486 193 C N 3.654 123.064 119.300 0.182 0.000 2.455 193 C HA 0.616 5.076 4.460 -0.001 0.000 0.321 193 C C -2.833 172.250 174.990 0.155 0.000 1.102 193 C CA -2.018 57.030 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 63.089 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 3.367 123.985 120.570 0.080 0.000 2.362 195 I HA 0.283 4.453 4.170 -0.001 0.000 0.289 195 I C -0.125 175.950 176.117 -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 5.079 124.951 119.914 -0.071 0.000 2.513 196 V HA 0.296 4.416 4.120 -0.001 0.000 0.299 196 V C 0.026 176.061 176.094 -0.098 0.000 1.035 196 V CA -0.800 61.462 62.300 -0.063 0.000 0.889 196 V CB 2.358 34.175 31.823 -0.009 0.000 0.988 196 V HN 0.627 nan 8.190 nan 0.000 0.440 197 D N 2.966 123.306 120.400 -0.101 0.000 2.336 197 D HA 0.120 4.760 4.640 -0.001 0.000 0.249 197 D C 1.157 177.426 176.300 -0.052 0.000 1.213 197 D CA 0.088 54.028 54.000 -0.100 0.000 0.870 197 D CB 1.831 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 3.245 117.776 114.554 -0.039 0.000 2.684 198 T HA -0.201 4.148 4.350 -0.001 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 -0.001 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 0.105 29.788 29.700 -0.028 0.000 0.752 199 E HN 0.307 nan 8.360 nan 0.000 0.449 200 E N 0.682 120.867 120.200 -0.025 0.000 2.435 200 E HA -0.037 4.313 4.350 -0.001 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 0.071 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 1.141 121.531 120.400 -0.017 0.000 3.419 201 K HA -0.229 4.091 4.320 -0.001 0.000 0.272 201 K C -0.283 176.311 176.600 -0.010 0.000 0.973 201 K CA 0.781 57.062 56.287 -0.010 0.000 0.749 201 K CB -1.576 30.922 32.500 -0.004 0.000 1.403 201 K HN 0.307 nan 8.250 nan 0.000 0.456 202 K N -2.487 117.903 120.400 -0.017 0.000 2.568 202 K HA 0.440 4.760 4.320 -0.001 0.000 0.273 202 K C -0.588 175.999 176.600 -0.022 0.000 0.951 202 K CA -1.212 55.067 56.287 -0.014 0.000 0.854 202 K CB 1.501 33.993 32.500 -0.013 0.000 1.424 202 K HN -0.096 nan 8.250 nan 0.000 0.427 203 V N 3.475 123.383 119.914 -0.010 0.000 2.508 203 V HA 0.081 4.201 4.120 -0.001 0.000 0.281 203 V C 1.232 177.321 176.094 -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 32.104 31.823 0.008 0.000 0.984 203 V HN 0.843 nan 8.190 nan 0.000 0.478 204 I N 1.533 122.091 120.570 -0.020 0.000 4.057 204 I HA 0.551 4.720 4.170 -0.001 0.000 0.334 204 I C 0.105 176.338 176.117 0.193 0.000 1.308 204 I CA 0.402 61.713 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 1.000 120.937 119.950 -0.022 0.000 2.769 205 F HA 0.599 5.125 4.527 -0.001 0.000 0.313 205 F C -2.057 173.787 175.800 0.073 0.000 1.146 205 F CA -0.973 57.072 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 3.673 124.051 120.570 -0.320 0.000 2.500 206 I HA 0.268 4.437 4.170 -0.001 0.000 0.286 206 I C -1.381 174.738 176.117 0.002 0.000 1.063 206 I CA -0.803 60.471 61.300 -0.044 0.000 1.062 206 I CB 1.780 39.719 38.000 -0.101 0.000 1.223 206 I HN 0.354 nan 8.210 nan 0.000 0.435 207 D N 7.637 128.224 120.400 0.311 0.000 2.343 207 D HA 0.414 5.054 4.640 -0.001 0.000 0.255 207 D C -0.238 176.208 176.300 0.244 0.000 1.187 207 D CA 0.398 54.627 54.000 0.380 0.000 0.875 207 D CB 1.640 42.671 40.800 0.384 0.000 1.136 207 D HN 0.312 nan 8.370 nan 0.000 0.469 208 I N 4.526 125.207 120.570 0.185 0.000 2.406 208 I HA 0.223 4.392 4.170 -0.001 0.000 0.290 208 I C -1.880 174.323 176.117 0.144 0.000 0.999 208 I CA -1.917 59.471 61.300 0.147 0.000 1.124 208 I CB 2.104 40.127 38.000 0.039 0.000 1.289 208 I HN 0.090 nan 8.210 nan 0.000 0.441 209 P HA 0.179 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 0.754 119.501 118.700 0.079 0.000 2.142 210 N HA -0.088 4.652 4.740 -0.001 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 38.477 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 4.471 4.340 -0.001 0.000 0.339 211 R C -0.630 175.718 176.300 0.080 0.000 1.020 211 R CA -0.358 55.784 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 3.511 124.045 120.500 0.058 0.000 2.441 212 R HA 0.261 4.601 4.340 -0.001 0.000 0.284 212 R C -0.320 176.003 176.300 0.039 0.000 1.070 212 R CA -0.524 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 1.536 122.055 120.500 0.031 0.000 2.483 213 R HA 0.294 4.634 4.340 -0.001 0.000 0.303 213 R C -0.398 175.897 176.300 -0.010 0.000 0.987 213 R CA -0.477 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 0.353 nan 8.270 nan 0.000 0.451 214 K N 1.222 121.616 120.400 -0.010 0.000 2.168 214 K HA 0.284 4.603 4.320 -0.001 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 0.838 33.329 32.500 -0.015 0.000 0.998 214 K HN 0.152 nan 8.250 nan 0.000 0.479 215 V N 1.653 121.545 119.914 -0.036 0.000 2.843 215 V HA -0.119 4.001 4.120 -0.001 0.000 0.305 215 V C 0.844 176.933 176.094 -0.007 0.000 1.120 215 V CA 0.182 62.459 62.300 -0.038 0.000 1.254 215 V CB 0.891 32.643 31.823 -0.118 0.000 0.901 215 V HN 0.811 nan 8.190 nan 0.000 0.503 216 S N 3.282 118.982 115.700 0.000 0.000 2.560 216 S HA 0.111 4.580 4.470 -0.001 0.000 0.284 216 S C 0.823 175.514 174.600 0.151 0.000 1.327 216 S CA -0.172 58.026 58.200 -0.003 0.000 1.055 216 S CB 0.292 63.313 63.200 -0.297 0.000 0.868 216 S HN 0.764 nan 8.310 nan 0.000 0.506 217 K N 2.149 122.603 120.400 0.090 0.000 2.372 217 K HA 0.120 4.439 4.320 -0.001 0.000 0.200 217 K C -0.157 176.483 176.600 0.067 0.000 1.022 217 K CA -0.056 56.270 56.287 0.066 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 1.180 120.362 119.070 0.187 0.000 2.603 218 H HA 0.119 4.674 4.556 -0.001 0.000 0.370 218 H C 0.069 175.622 175.328 0.374 0.000 1.225 218 H CA 0.150 56.319 56.048 0.201 0.000 1.410 218 H CB 0.634 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 0.859 121.527 120.400 0.448 0.000 2.276 219 K HA 0.075 4.394 4.320 -0.001 0.000 0.259 219 K C -0.437 176.458 176.600 0.492 0.000 1.001 219 K CA -0.234 56.285 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 -0.001 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 0.843 30.501 29.762 -0.173 0.000 1.443 220 H HN 0.653 nan 8.280 nan 0.000 0.591 221 A N 4.378 127.095 122.820 -0.172 0.000 2.527 221 A HA 0.204 4.524 4.320 -0.001 0.000 0.313 221 A C -0.076 177.321 177.584 -0.311 0.000 1.410 221 A CA -0.656 51.148 52.037 -0.388 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 5.381 4.740 -0.001 0.000 0.280 222 N C -0.149 175.249 175.510 -0.187 0.000 1.205 222 N CA -0.379 52.382 53.050 -0.482 0.000 0.959 222 N CB 1.190 39.034 38.487 -1.071 0.000 1.206 222 N HN 0.582 nan 8.380 nan 0.000 0.545 223 F N -2.365 117.571 119.950 -0.024 0.000 2.915 223 F HA 0.445 4.972 4.527 -0.001 0.000 0.347 223 F C -0.293 175.551 175.800 0.074 0.000 1.104 223 F CA -0.802 57.201 58.000 0.004 0.000 1.126 223 F CB -0.545 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 2.599 123.041 120.300 0.237 0.000 2.314 224 Y HA 0.326 4.875 4.550 -0.001 0.000 0.334 224 Y C -1.051 174.891 175.900 0.071 0.000 1.266 224 Y CA -1.584 56.613 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 -1.069 119.298 120.400 -0.056 0.000 2.097 226 K HA -0.209 4.110 4.320 -0.001 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 0.037 119.129 119.070 0.036 0.000 2.363 227 H HA 0.065 4.620 4.556 -0.001 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 0.254 119.958 119.600 0.172 0.000 2.159 228 M HA -0.117 4.362 4.480 -0.001 0.000 0.263 228 M C 2.278 178.626 176.300 0.081 0.000 1.063 228 M CA 1.261 56.630 55.300 0.116 0.000 1.110 228 M CB -0.661 31.998 32.600 0.099 0.000 1.374 228 M HN 0.329 nan 8.290 nan 0.000 0.411 229 I N -0.205 120.402 120.570 0.062 0.000 2.286 229 I HA -0.290 3.879 4.170 -0.001 0.000 0.248 229 I C 2.244 178.390 176.117 0.049 0.000 1.115 229 I CA 1.250 62.576 61.300 0.043 0.000 1.392 229 I CB -0.313 37.701 38.000 0.024 0.000 1.065 229 I HN 0.390 nan 8.210 nan 0.000 0.418 230 E N 0.596 120.833 120.200 0.061 0.000 2.072 230 E HA -0.244 4.106 4.350 -0.001 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 0.941 121.394 120.400 0.090 0.000 1.984 231 K HA -0.084 4.236 4.320 -0.001 0.000 0.209 231 K C 1.103 177.749 176.600 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 32.672 32.500 0.104 0.000 0.717 231 K HN 0.040 nan 8.250 nan 0.000 0.438 232 V N -3.159 116.796 119.914 0.068 0.000 3.267 232 V HA 0.507 4.626 4.120 -0.001 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 0.745 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 0.226 109.050 108.800 0.039 0.000 2.586 233 G HA2 0.236 4.196 3.960 -0.001 0.000 0.218 233 G HA3 0.236 4.196 3.960 -0.001 0.000 0.218 233 G C 0.533 175.451 174.900 0.031 0.000 1.216 233 G CA 1.952 47.072 45.100 0.032 0.000 0.786 233 G HN 1.853 nan 8.290 nan 0.000 0.583 234 A N -2.637 120.201 122.820 0.030 0.000 2.483 234 A HA 0.653 4.972 4.320 -0.001 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 0.296 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 -0.001 0.000 0.316 235 M C 0.565 176.876 176.300 0.019 0.000 1.144 235 M CA 0.048 55.363 55.300 0.024 0.000 1.121 235 M CB 0.179 32.792 32.600 0.022 0.000 1.440 235 M HN 0.707 nan 8.290 nan 0.000 0.473 236 R N 0.659 121.169 120.500 0.016 0.000 2.582 236 R HA 0.359 4.699 4.340 -0.001 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 -0.528 29.778 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 -0.200 62.905 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 1.162 121.366 120.200 0.006 0.000 2.417 238 E HA 0.307 4.656 4.350 -0.001 0.000 0.261 238 E C -0.449 176.153 176.600 0.004 0.000 1.000 238 E CA -0.051 56.352 56.400 0.005 0.000 0.919 238 E CB -0.000 29.703 29.700 0.005 0.000 0.955 238 E HN 0.451 nan 8.360 nan 0.000 0.455 239 A N 5.497 128.318 122.820 0.002 0.000 2.304 239 A HA 0.473 4.793 4.320 -0.001 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 -0.158 18.842 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 -0.402 62.699 63.100 0.002 0.000 0.765 240 P CB -0.047 31.654 31.700 0.002 0.000 0.823 241 P HA 0.228 nan 4.420 nan 0.000 0.272 241 P C -0.729 176.573 177.300 0.003 0.000 1.223 241 P CA 0.136 63.238 63.100 0.003 0.000 0.784 241 P CB 0.949 32.652 31.700 0.004 0.000 0.923 242 I N 2.487 123.058 120.570 0.002 0.000 2.437 242 I HA 0.203 4.373 4.170 -0.001 0.000 0.279 242 I C 0.002 176.122 176.117 0.005 0.000 1.028 242 I CA -0.642 60.660 61.300 0.003 0.000 1.142 242 I CB 0.821 38.821 38.000 0.001 0.000 1.266 242 I HN 0.174 nan 8.210 nan 0.000 0.461 243 N N 5.915 124.619 118.700 0.007 0.000 2.479 243 N HA 0.399 5.139 4.740 -0.001 0.000 0.285 243 N C -0.643 174.875 175.510 0.013 0.000 1.075 243 N CA -0.355 52.700 53.050 0.009 0.000 0.967 243 N CB 2.762 41.255 38.487 0.009 0.000 1.137 243 N HN 0.153 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 4.614 4.120 -0.001 0.000 0.291 244 V C 0.186 176.295 176.094 0.024 0.000 1.020 244 V CA -0.589 61.725 62.300 0.023 0.000 0.848 244 V CB 1.321 33.160 31.823 0.027 0.000 0.990 244 V HN 0.853 nan 8.190 nan 0.000 0.430 245 T N 1.824 116.394 114.554 0.027 0.000 2.906 245 T HA 0.647 4.997 4.350 -0.001 0.000 0.295 245 T C -0.744 173.974 174.700 0.030 0.000 1.061 245 T CA -0.796 61.319 62.100 0.026 0.000 1.000 245 T CB 2.322 71.202 68.868 0.019 0.000 1.103 245 T HN 0.501 nan 8.240 nan 0.000 0.486 246 Q N 1.732 121.549 119.800 0.028 0.000 3.122 246 Q HA 0.251 4.590 4.340 -0.001 0.000 0.282 246 Q C -1.759 174.249 176.000 0.013 0.000 0.947 246 Q CA -1.997 53.822 55.803 0.026 0.000 0.812 246 Q CB 1.576 30.334 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 0.106 177.407 177.300 0.001 0.000 1.148 247 P CA 1.424 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 4.715 4.350 -0.001 0.000 0.194 248 E C 0.957 177.545 176.600 -0.020 0.000 1.027 248 E CA 0.017 56.412 56.400 -0.007 0.000 0.914 248 E CB 0.083 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 -0.001 0.000 0.215 249 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.215 249 G C -0.080 174.779 174.900 -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 0.882 5.002 4.120 -0.001 0.000 0.320 250 V C 1.440 177.423 176.094 -0.185 0.000 1.093 250 V CA 0.861 63.034 62.300 -0.213 0.000 1.016 250 V CB 1.502 32.976 31.823 -0.582 0.000 1.096 250 V HN 2.299 nan 8.190 nan 0.000 0.452 251 S N 0.886 116.574 115.700 -0.019 0.000 2.524 251 S HA 0.209 4.679 4.470 -0.001 0.000 0.216 251 S C 0.516 175.215 174.600 0.166 0.000 0.987 251 S CA -0.027 58.219 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 5.261 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 4.177 124.726 120.400 0.249 0.000 2.463 253 K HA 0.428 4.748 4.320 -0.001 0.000 0.255 253 K C -1.471 175.172 176.600 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 3.192 122.818 119.600 0.043 0.000 2.205 254 M HA 0.228 4.707 4.480 -0.001 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 -0.068 0.000 1.001 254 M CB 1.788 34.235 32.600 -0.255 0.000 1.626 254 M HN 0.531 nan 8.290 nan 0.000 0.442 255 T N 2.763 117.300 114.554 -0.028 0.000 3.060 255 T HA 0.546 4.896 4.350 -0.001 0.000 0.367 255 T C 0.749 175.460 174.700 0.019 0.000 1.229 255 T CA 0.277 62.388 62.100 0.018 0.000 1.104 255 T CB 0.901 69.787 68.868 0.031 0.000 1.083 255 T HN 1.054 nan 8.240 nan 0.000 0.524 256 G N 4.161 112.983 108.800 0.037 0.000 2.543 256 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.286 256 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.286 256 G C 0.697 175.572 174.900 -0.041 0.000 1.153 256 G CA 0.034 45.156 45.100 0.036 0.000 0.968 256 G HN 0.558 nan 8.290 nan 0.000 0.544 257 N N 0.534 119.161 118.700 -0.121 0.000 2.236 257 N HA 0.218 4.957 4.740 -0.001 0.000 0.196 257 N C 0.405 175.651 175.510 -0.440 0.000 1.114 257 N CA 0.575 53.427 53.050 -0.329 0.000 0.859 257 N CB 1.013 39.171 38.487 -0.548 0.000 0.982 257 N HN 0.376 nan 8.380 nan 0.000 0.493 258 V N 2.475 122.238 119.914 -0.251 0.000 2.432 258 V HA 0.188 4.307 4.120 -0.001 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 -0.224 0.000 0.945 258 V CB 1.070 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 -0.001 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 1.298 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 3.677 123.765 120.200 -0.186 0.000 2.265 260 E HA 0.451 4.800 4.350 -0.001 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 1.689 31.386 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 -0.001 0.000 0.307 261 W C -0.260 176.354 176.519 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 4.992 120.262 115.700 -0.716 0.000 3.491 262 S HA -0.326 4.143 4.470 -0.001 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 -2.418 116.025 118.700 -0.429 0.000 2.967 263 N HA -0.175 4.565 4.740 -0.001 0.000 0.218 263 N C -0.171 175.012 175.510 -0.544 0.000 0.870 263 N CA 1.729 54.382 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 0.414 4.940 4.527 -0.001 0.000 0.342 264 F C 0.962 176.844 175.800 0.136 0.000 1.106 264 F CA 0.267 58.371 58.000 0.175 0.000 1.196 264 F CB 0.886 40.149 39.000 0.438 0.000 1.163 264 F HN -0.173 nan 8.300 nan 0.000 0.547 265 K N 4.508 125.172 120.400 0.439 0.000 2.535 265 K HA 0.571 4.890 4.320 -0.001 0.000 0.250 265 K C -1.824 174.986 176.600 0.349 0.000 0.948 265 K CA -0.479 55.934 56.287 0.210 0.000 0.796 265 K CB 1.472 34.047 32.500 0.125 0.000 1.216 265 K HN 0.515 nan 8.250 nan 0.000 0.432 266 F N -0.318 119.646 119.950 0.022 0.000 2.741 266 F HA 0.388 4.915 4.527 -0.001 0.000 0.311 266 F C -1.475 174.312 175.800 -0.021 0.000 1.149 266 F CA -1.183 56.829 58.000 0.019 0.000 0.930 266 F CB 0.908 39.887 39.000 -0.035 0.000 1.312 266 F HN 0.406 nan 8.300 nan 0.000 0.450 267 H N 2.569 121.688 119.070 0.082 0.000 2.488 267 H HA 0.535 5.091 4.556 -0.001 0.000 0.322 267 H C -1.108 174.201 175.328 -0.032 0.000 1.078 267 H CA -0.563 55.413 56.048 -0.119 0.000 1.260 267 H CB 1.401 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 5.677 125.962 120.570 -0.475 0.000 2.287 268 I HA 0.215 4.385 4.170 -0.001 0.000 0.290 268 I C 1.027 176.995 176.117 -0.248 0.000 1.069 268 I CA -0.308 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 0.545 nan 8.210 nan 0.000 0.481 269 G N 5.203 114.022 108.800 0.032 0.000 2.552 269 G HA2 0.709 4.669 3.960 -0.001 0.000 0.318 269 G HA3 0.709 4.669 3.960 -0.001 0.000 0.318 269 G C -1.493 173.531 174.900 0.206 0.000 1.240 269 G CA -0.318 44.885 45.100 0.171 0.000 1.002 269 G HN 0.388 nan 8.290 nan 0.000 0.493 270 F N 0.439 120.415 119.950 0.043 0.000 2.669 270 F HA 0.443 4.970 4.527 -0.001 0.000 0.315 270 F C -1.280 174.589 175.800 0.116 0.000 1.109 270 F CA -0.946 57.086 58.000 0.054 0.000 1.028 270 F CB 1.920 40.947 39.000 0.044 0.000 1.287 270 F HN 0.817 nan 8.300 nan 0.000 0.452 271 N N 2.303 120.922 118.700 -0.135 0.000 2.525 271 N HA 0.250 4.990 4.740 -0.001 0.000 0.270 271 N C 0.148 175.612 175.510 -0.076 0.000 1.321 271 N CA -0.498 52.629 53.050 0.128 0.000 0.797 271 N CB 0.428 38.989 38.487 0.125 0.000 1.529 271 N HN 0.524 nan 8.380 nan 0.000 0.491 272 Y N -0.829 119.386 120.300 -0.143 0.000 2.298 272 Y HA -0.032 4.517 4.550 -0.001 0.000 0.287 272 Y C 2.039 177.486 175.900 -0.755 0.000 1.164 272 Y CA 1.473 59.080 58.100 -0.821 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 0.333 119.934 120.500 -1.498 0.000 2.056 273 R HA 0.056 4.396 4.340 -0.001 0.000 0.215 273 R C 2.043 177.920 176.300 -0.706 0.000 1.205 273 R CA 1.052 56.404 56.100 -1.248 0.000 1.020 273 R CB -0.018 29.341 30.300 -1.569 0.000 0.911 273 R HN 0.426 nan 8.270 nan 0.000 0.451 274 E N -0.232 119.657 120.200 -0.518 0.000 2.358 274 E HA 0.119 4.469 4.350 -0.001 0.000 0.195 274 E C 0.865 177.246 176.600 -0.364 0.000 1.010 274 E CA 0.405 56.620 56.400 -0.309 0.000 0.856 274 E CB 0.365 29.977 29.700 -0.148 0.000 0.795 274 E HN 0.570 nan 8.360 nan 0.000 0.504 275 G N 1.855 110.268 108.800 -0.645 0.000 2.514 275 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.265 275 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.265 275 G C 0.065 174.406 174.900 -0.931 0.000 1.150 275 G CA -0.217 44.276 45.100 -1.012 0.000 0.959 275 G HN 0.184 nan 8.290 nan 0.000 0.556 276 I N 1.062 121.450 120.570 -0.303 0.000 2.710 276 I HA 0.330 4.500 4.170 -0.001 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 0.770 38.834 38.000 0.106 0.000 1.367 276 I HN 0.332 nan 8.210 nan 0.000 0.577 277 V N 7.861 127.645 119.914 -0.217 0.000 2.482 277 V HA 0.344 4.463 4.120 -0.001 0.000 0.295 277 V C -0.131 175.814 176.094 -0.249 0.000 1.026 277 V CA -0.532 61.606 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 4.198 125.182 121.223 -0.399 0.000 2.275 278 L HA 0.683 5.022 4.340 -0.001 0.000 0.288 278 L C 0.219 176.987 176.870 -0.169 0.000 1.046 278 L CA 0.144 54.836 54.840 -0.247 0.000 0.805 278 L CB 1.562 43.378 42.059 -0.405 0.000 1.193 278 L HN 0.618 nan 8.230 nan 0.000 0.426 279 S N 0.663 116.342 115.700 -0.035 0.000 2.634 279 S HA 0.301 4.771 4.470 -0.001 0.000 0.296 279 S C -0.547 174.069 174.600 0.028 0.000 1.104 279 S CA -0.632 57.492 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 1.006 121.393 120.400 -0.022 0.000 2.735 280 D HA -0.147 4.493 4.640 -0.001 0.000 0.235 280 D C -0.747 175.708 176.300 0.259 0.000 1.175 280 D CA 0.359 54.477 54.000 0.196 0.000 0.683 280 D CB -1.151 39.843 40.800 0.324 0.000 1.008 280 D HN 0.245 nan 8.370 nan 0.000 0.416 281 V N 1.386 121.436 119.914 0.227 0.000 2.461 281 V HA 0.587 4.707 4.120 -0.001 0.000 0.275 281 V C 0.869 177.102 176.094 0.232 0.000 1.047 281 V CA 0.266 62.730 62.300 0.273 0.000 0.955 281 V CB 1.457 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 4.463 120.354 115.700 0.319 0.000 2.627 282 S HA 0.777 5.246 4.470 -0.001 0.000 0.283 282 S C -1.377 173.434 174.600 0.351 0.000 1.127 282 S CA -0.796 57.566 58.200 0.270 0.000 0.863 282 S CB 2.080 65.404 63.200 0.208 0.000 1.121 282 S HN 0.598 nan 8.310 nan 0.000 0.479 283 Y N 1.683 122.074 120.300 0.150 0.000 2.361 283 Y HA 0.524 5.074 4.550 -0.001 0.000 0.337 283 Y C -0.582 175.367 175.900 0.081 0.000 0.965 283 Y CA -0.794 57.338 58.100 0.053 0.000 1.091 283 Y CB 1.603 40.078 38.460 0.024 0.000 1.182 283 Y HN 0.859 nan 8.280 nan 0.000 0.450 284 N N 4.813 123.298 118.700 -0.358 0.000 2.448 284 N HA 0.016 4.756 4.740 -0.001 0.000 0.250 284 N C -1.119 174.323 175.510 -0.113 0.000 1.136 284 N CA 0.118 53.059 53.050 -0.183 0.000 0.953 284 N CB 0.198 38.540 38.487 -0.240 0.000 1.251 284 N HN 0.670 nan 8.380 nan 0.000 0.502 285 D N 2.720 123.250 120.400 0.216 0.000 2.517 285 D HA 0.063 4.703 4.640 -0.001 0.000 0.220 285 D C -0.437 175.963 176.300 0.167 0.000 1.158 285 D CA -0.089 54.101 54.000 0.316 0.000 0.992 285 D CB -0.810 40.245 40.800 0.424 0.000 1.058 285 D HN 0.564 nan 8.370 nan 0.000 0.516 286 H N 1.498 120.623 119.070 0.091 0.000 2.506 286 H HA -0.195 4.361 4.556 -0.001 0.000 0.323 286 H C 1.490 176.830 175.328 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 0.202 109.043 108.800 0.068 0.000 2.284 287 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.230 287 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.230 287 G C 0.297 175.220 174.900 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 0.820 119.559 118.700 0.064 0.000 2.521 288 N HA 0.422 5.161 4.740 -0.001 0.000 0.236 288 N C 0.065 175.619 175.510 0.073 0.000 1.067 288 N CA -0.373 52.710 53.050 0.055 0.000 0.939 288 N CB 0.677 39.197 38.487 0.054 0.000 1.201 288 N HN 0.071 nan 8.380 nan 0.000 0.511 289 V N 4.668 124.614 119.914 0.053 0.000 2.415 289 V HA 0.137 4.256 4.120 -0.001 0.000 0.267 289 V C 0.441 176.593 176.094 0.097 0.000 1.042 289 V CA 0.034 62.377 62.300 0.072 0.000 1.000 289 V CB -0.078 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 5.901 126.499 120.500 0.164 0.000 2.338 290 R HA 0.461 4.800 4.340 -0.001 0.000 0.317 290 R C -2.745 173.684 176.300 0.216 0.000 0.968 290 R CA -1.868 54.337 56.100 0.175 0.000 0.849 290 R CB 1.516 31.929 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 0.053 63.223 63.100 0.117 0.000 0.784 291 P CB 0.873 32.631 31.700 0.096 0.000 0.923 292 I N -0.585 119.915 120.570 -0.117 0.000 3.669 292 I HA 0.217 4.386 4.170 -0.001 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 -0.572 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 0.092 119.991 119.950 -0.085 0.000 2.565 293 F HA 0.366 4.892 4.527 -0.001 0.000 0.313 293 F C 0.988 176.793 175.800 0.008 0.000 1.091 293 F CA -0.954 57.001 58.000 -0.075 0.000 0.915 293 F CB 0.829 39.737 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 0.306 4.861 4.556 -0.001 0.000 0.289 294 H C 0.061 175.376 175.328 -0.023 0.000 1.022 294 H CA 0.764 56.833 56.048 0.036 0.000 1.340 294 H CB 0.581 30.325 29.762 -0.030 0.000 1.437 294 H HN 0.590 nan 8.280 nan 0.000 0.539 295 R N 0.490 120.913 120.500 -0.128 0.000 2.579 295 R HA 0.371 4.711 4.340 -0.001 0.000 0.260 295 R C -2.201 173.946 176.300 -0.255 0.000 1.103 295 R CA -0.483 55.466 56.100 -0.251 0.000 0.942 295 R CB 1.859 31.989 30.300 -0.283 0.000 1.251 295 R HN 0.228 nan 8.270 nan 0.000 0.450 296 I N 2.661 123.035 120.570 -0.327 0.000 2.692 296 I HA 0.626 4.796 4.170 -0.001 0.000 0.293 296 I C -1.543 174.307 176.117 -0.445 0.000 1.200 296 I CA -0.080 60.982 61.300 -0.396 0.000 1.036 296 I CB 2.125 39.831 38.000 -0.491 0.000 1.258 296 I HN 0.938 nan 8.210 nan 0.000 0.421 297 S N 6.129 121.686 115.700 -0.238 0.000 2.663 297 S HA 0.491 4.961 4.470 -0.001 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 64.027 63.200 -0.166 0.000 1.111 297 S HN 0.604 nan 8.310 nan 0.000 0.476 298 L N 2.665 124.051 121.223 0.271 0.000 2.264 298 L HA 0.492 4.832 4.340 -0.001 0.000 0.289 298 L C 1.280 178.206 176.870 0.092 0.000 1.044 298 L CA -0.170 54.800 54.840 0.215 0.000 0.807 298 L CB 1.677 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 4.662 4.470 -0.001 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 63.782 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 -0.001 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 1.100 30.548 29.700 -0.420 0.000 1.346 300 E HN 0.318 nan 8.360 nan 0.000 0.443 301 M N 1.426 120.983 119.600 -0.072 0.000 2.644 301 M HA 0.638 5.118 4.480 -0.001 0.000 0.273 301 M C -1.394 175.030 176.300 0.206 0.000 1.253 301 M CA -0.853 54.439 55.300 -0.013 0.000 0.852 301 M CB 2.569 35.022 32.600 -0.245 0.000 1.708 301 M HN 0.574 nan 8.290 nan 0.000 0.471 302 I N 0.792 121.432 120.570 0.117 0.000 2.710 302 I HA 0.459 4.629 4.170 -0.001 0.000 0.290 302 I C -1.692 174.402 176.117 -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 4.452 4.120 -0.001 0.000 0.263 303 V C -2.252 173.881 176.094 0.065 0.000 1.036 303 V CA -1.250 61.027 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 -0.024 63.120 63.100 0.074 0.000 0.766 304 P CB 0.690 32.363 31.700 -0.044 0.000 0.845 305 F N 1.882 121.872 119.950 0.067 0.000 2.382 305 F HA 0.396 4.922 4.527 -0.001 0.000 0.331 305 F C 1.934 177.715 175.800 -0.031 0.000 1.121 305 F CA 0.530 58.562 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 0.355 109.200 108.800 0.076 0.000 3.434 306 G HA2 0.081 4.040 3.960 -0.001 0.000 0.258 306 G HA3 0.081 4.040 3.960 -0.001 0.000 0.258 306 G C -0.074 174.733 174.900 -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 1.314 116.874 115.700 -0.234 0.000 2.438 307 S HA 0.451 4.921 4.470 -0.001 0.000 0.293 307 S C -0.789 173.537 174.600 -0.457 0.000 1.141 307 S CA -1.435 56.475 58.200 -0.482 0.000 1.080 307 S CB 1.881 64.635 63.200 -0.743 0.000 0.978 307 S HN 0.082 nan 8.310 nan 0.000 0.479 308 P HA 0.038 nan 4.420 nan 0.000 0.236 308 P C -0.251 176.920 177.300 -0.216 0.000 1.177 308 P CA 0.293 63.135 63.100 -0.430 0.000 0.773 308 P CB 0.108 31.475 31.700 -0.555 0.000 0.878 309 E N 0.127 120.234 120.200 -0.154 0.000 2.360 309 E HA 0.122 4.472 4.350 -0.001 0.000 0.269 309 E C -0.307 176.214 176.600 -0.133 0.000 1.022 309 E CA -0.716 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 5.450 125.264 119.950 -0.226 0.000 2.572 310 F HA 0.060 4.587 4.527 -0.001 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 -0.086 176.762 177.300 -0.753 0.000 1.651 311 P CA 0.283 62.584 63.100 -1.330 0.000 1.119 311 P CB -0.370 30.626 31.700 -1.174 0.000 1.552 312 H N 0.549 119.362 119.070 -0.430 0.000 2.545 312 H HA -0.094 4.462 4.556 -0.001 0.000 0.282 312 H C 2.286 177.479 175.328 -0.226 0.000 1.020 312 H CA 0.716 56.557 56.048 -0.345 0.000 1.243 312 H CB 0.124 29.684 29.762 -0.335 0.000 1.377 312 H HN 0.237 nan 8.280 nan 0.000 0.581 313 Q N 1.713 121.434 119.800 -0.133 0.000 2.364 313 Q HA -0.123 4.216 4.340 -0.001 0.000 0.207 313 Q C 1.327 177.390 176.000 0.106 0.000 0.970 313 Q CA 1.054 56.837 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 0.863 121.347 120.500 -0.027 0.000 2.313 314 R HA 0.153 4.492 4.340 -0.001 0.000 0.199 314 R C 0.107 176.390 176.300 -0.027 0.000 0.958 314 R CA 0.160 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 1.969 122.396 120.400 0.045 0.000 2.296 315 K HA 0.095 4.415 4.320 -0.001 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 32.801 32.500 -0.352 0.000 1.430 315 K HN 0.293 nan 8.250 nan 0.000 0.441 316 H N 0.171 119.458 119.070 0.360 0.000 3.225 316 H HA 0.192 4.748 4.556 -0.001 0.000 0.205 316 H C -0.763 174.695 175.328 0.217 0.000 1.314 316 H CA -0.707 55.499 56.048 0.263 0.000 1.336 316 H CB -0.599 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 1.904 124.850 122.820 0.210 0.000 2.540 317 A HA 0.313 4.632 4.320 -0.001 0.000 0.239 317 A C 0.201 177.814 177.584 0.048 0.000 1.061 317 A CA -0.185 51.893 52.037 0.069 0.000 0.758 317 A CB 0.142 19.148 19.000 0.011 0.000 0.991 317 A HN 0.486 nan 8.150 nan 0.000 0.502 318 L N 3.463 124.675 121.223 -0.019 0.000 2.494 318 L HA 0.211 4.551 4.340 -0.001 0.000 0.251 318 L C 0.666 177.471 176.870 -0.109 0.000 1.119 318 L CA -0.088 54.754 54.840 0.003 0.000 1.026 318 L CB 0.624 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 4.381 4.640 -0.001 0.000 0.191 319 D C 2.018 178.224 176.300 -0.156 0.000 1.004 319 D CA 1.797 55.786 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 0.722 121.160 120.570 -0.220 0.000 2.202 320 I HA -0.163 4.007 4.170 -0.001 0.000 0.242 320 I C 2.543 178.449 176.117 -0.350 0.000 1.091 320 I CA 1.464 62.572 61.300 -0.319 0.000 1.368 320 I CB -0.348 37.491 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 -0.001 0.000 0.214 321 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.214 321 G C 1.419 176.175 174.900 -0.241 0.000 1.138 321 G CA 0.175 45.100 45.100 -0.292 0.000 0.794 321 G HN 0.402 nan 8.290 nan 0.000 0.535 322 E N -1.397 118.612 120.200 -0.319 0.000 2.389 322 E HA 0.139 4.488 4.350 -0.001 0.000 0.199 322 E C 0.856 177.109 176.600 -0.579 0.000 0.978 322 E CA 0.248 56.362 56.400 -0.477 0.000 0.912 322 E CB 0.380 29.665 29.700 -0.691 0.000 0.907 322 E HN 0.555 nan 8.360 nan 0.000 0.494 323 Y N -0.424 119.835 120.300 -0.069 0.000 2.640 323 Y HA 0.342 4.891 4.550 -0.001 0.000 0.274 323 Y C 0.767 176.653 175.900 -0.023 0.000 1.164 323 Y CA 0.217 58.300 58.100 -0.029 0.000 1.189 323 Y CB 1.100 39.519 38.460 -0.069 0.000 1.333 323 Y HN -0.040 nan 8.280 nan 0.000 0.494 324 G N 0.827 109.570 108.800 -0.095 0.000 3.421 324 G HA2 0.147 4.107 3.960 -0.001 0.000 0.686 324 G HA3 0.147 4.107 3.960 -0.001 0.000 0.686 324 G C 0.627 175.267 174.900 -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 1.292 123.720 122.820 -0.654 0.000 2.125 325 A HA 0.334 4.653 4.320 -0.001 0.000 0.219 325 A C 2.548 179.900 177.584 -0.387 0.000 1.156 325 A CA 2.451 53.951 52.037 -0.895 0.000 0.671 325 A CB -0.307 18.235 19.000 -0.764 0.000 0.794 325 A HN 2.131 nan 8.150 nan 0.000 0.459 326 G N -1.600 106.991 108.800 -0.347 0.000 2.417 326 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.212 326 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.212 326 G C 1.374 176.398 174.900 0.207 0.000 1.187 326 G CA 0.772 45.881 45.100 0.015 0.000 0.804 326 G HN 0.408 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 4.559 4.550 -0.001 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 37.999 38.460 -0.187 0.000 0.979 327 Y HN 0.143 nan 8.280 nan 0.000 0.521 328 M N -1.283 118.435 119.600 0.196 0.000 2.561 328 M HA 0.006 4.485 4.480 -0.001 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 2.206 116.974 114.554 0.357 0.000 2.940 329 T HA 0.071 4.420 4.350 -0.001 0.000 0.309 329 T C 0.156 175.028 174.700 0.287 0.000 1.056 329 T CA -0.082 62.257 62.100 0.398 0.000 1.137 329 T CB 0.271 69.438 68.868 0.499 0.000 0.976 329 T HN 0.231 nan 8.240 nan 0.000 0.547 330 N N 5.012 123.851 118.700 0.231 0.000 2.518 330 N HA 0.360 5.100 4.740 -0.001 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 62.805 63.100 -0.000 0.000 0.768 331 P CB 0.587 32.274 31.700 -0.021 0.000 0.856 332 L N 2.754 123.975 121.223 -0.004 0.000 2.319 332 L HA 0.194 4.534 4.340 -0.001 0.000 0.280 332 L C 0.963 177.817 176.870 -0.026 0.000 1.099 332 L CA 0.192 55.060 54.840 0.047 0.000 0.828 332 L CB 0.155 42.333 42.059 0.197 0.000 1.150 332 L HN 0.312 nan 8.230 nan 0.000 0.442 333 S N 4.813 120.523 115.700 0.016 0.000 2.448 333 S HA 0.237 4.707 4.470 -0.001 0.000 0.279 333 S C 0.020 174.656 174.600 0.061 0.000 1.195 333 S CA -0.694 57.507 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 5.773 127.036 121.223 0.066 0.000 2.514 334 L HA 0.311 4.651 4.340 -0.001 0.000 0.280 334 L C 1.478 178.396 176.870 0.079 0.000 1.223 334 L CA 2.296 57.232 54.840 0.161 0.000 0.864 334 L CB -0.199 41.962 42.059 0.172 0.000 1.118 334 L HN 1.088 nan 8.230 nan 0.000 0.494 335 G N 3.046 111.884 108.800 0.063 0.000 2.363 335 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.238 335 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.238 335 G C 0.875 175.787 174.900 0.020 0.000 1.062 335 G CA 0.494 45.611 45.100 0.029 0.000 0.629 335 G HN 0.729 nan 8.290 nan 0.000 0.514 336 C N -0.128 119.189 119.300 0.030 0.000 2.742 336 C HA 0.294 4.753 4.460 -0.001 0.000 0.284 336 C C 2.367 177.374 174.990 0.030 0.000 1.481 336 C CA 1.307 60.339 59.018 0.023 0.000 1.809 336 C CB -0.723 27.031 27.740 0.023 0.000 1.991 336 C HN 0.545 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 4.588 4.640 -0.001 0.000 0.196 337 D C 0.353 176.692 176.300 0.066 0.000 0.985 337 D CA 1.221 55.263 54.000 0.069 0.000 0.826 337 D CB -0.116 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 -0.001 0.000 0.323 338 c C 0.279 174.283 174.090 -0.144 0.000 1.240 338 c CA -1.429 54.840 56.329 -0.099 0.000 1.497 338 c CB 0.831 43.272 42.510 -0.115 0.000 2.171 338 c HN 0.065 nan 8.230 nan 0.000 0.465 339 K N 2.546 122.836 120.400 -0.183 0.000 2.172 339 K HA 0.645 4.964 4.320 -0.001 0.000 0.276 339 K C 0.653 177.166 176.600 -0.144 0.000 1.013 339 K CA 0.782 57.002 56.287 -0.112 0.000 0.913 339 K CB 0.846 33.314 32.500 -0.053 0.000 1.055 339 K HN 1.106 nan 8.250 nan 0.000 0.461 340 G N 0.987 109.749 108.800 -0.064 0.000 2.384 340 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.204 340 G HA3 -0.185 3.775 3.960 -0.001 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 2.057 121.995 119.914 0.040 0.000 2.372 341 V HA 0.450 4.569 4.120 -0.001 0.000 0.261 341 V C 0.451 176.595 176.094 0.084 0.000 1.055 341 V CA -0.345 61.988 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 4.229 124.798 120.570 -0.002 0.000 2.525 342 I HA 0.463 4.633 4.170 -0.001 0.000 0.301 342 I C -0.072 175.982 176.117 -0.105 0.000 0.992 342 I CA -0.576 60.653 61.300 -0.118 0.000 1.162 342 I CB 1.556 39.272 38.000 -0.473 0.000 1.332 342 I HN 0.549 nan 8.210 nan 0.000 0.458 343 H N 5.728 124.704 119.070 -0.156 0.000 2.587 343 H HA 0.419 4.974 4.556 -0.001 0.000 0.325 343 H C -1.634 173.569 175.328 -0.208 0.000 1.012 343 H CA -0.304 55.714 56.048 -0.051 0.000 1.213 343 H CB 0.905 30.770 29.762 0.172 0.000 1.431 343 H HN 0.365 nan 8.280 nan 0.000 0.492 344 Y N 3.804 124.116 120.300 0.020 0.000 2.453 344 Y HA 0.419 4.968 4.550 -0.001 0.000 0.326 344 Y C 0.103 176.023 175.900 0.033 0.000 1.186 344 Y CA -0.688 57.433 58.100 0.034 0.000 1.200 344 Y CB 1.597 40.034 38.460 -0.038 0.000 1.247 344 Y HN 0.410 nan 8.280 nan 0.000 0.482 345 L N 2.202 123.531 121.223 0.177 0.000 2.401 345 L HA 0.469 4.809 4.340 -0.001 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 2.101 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 1.035 121.312 120.400 -0.205 0.000 2.326 346 D HA 0.682 5.321 4.640 -0.001 0.000 0.251 346 D C -0.470 175.443 176.300 -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 42.897 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 0.595 4.915 4.320 -0.001 0.000 0.324 347 A C -1.018 175.901 177.584 -1.108 0.000 1.117 347 A CA -0.655 50.837 52.037 -0.908 0.000 0.785 347 A CB 1.085 19.569 19.000 -0.860 0.000 1.254 347 A HN 0.550 nan 8.150 nan 0.000 0.453 348 H N 1.221 119.964 119.070 -0.546 0.000 2.609 348 H HA 0.651 5.206 4.556 -0.001 0.000 0.344 348 H C -1.393 173.745 175.328 -0.316 0.000 1.040 348 H CA -0.215 55.589 56.048 -0.408 0.000 1.216 348 H CB 1.260 30.939 29.762 -0.139 0.000 1.529 348 H HN 0.536 nan 8.280 nan 0.000 0.519 349 F N -0.117 119.991 119.950 0.265 0.000 2.814 349 F HA 0.487 5.014 4.527 -0.001 0.000 0.353 349 F C 0.669 176.570 175.800 0.169 0.000 1.177 349 F CA -1.112 57.042 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 -0.366 115.561 115.700 0.378 0.000 2.532 350 S HA 0.592 5.061 4.470 -0.001 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 64.028 63.200 0.051 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.972 122.430 120.400 0.097 0.000 2.506 351 D HA 0.299 4.938 4.640 -0.001 0.000 0.272 351 D C 1.190 177.554 176.300 0.106 0.000 1.214 351 D CA -0.746 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 -0.152 4.187 4.340 -0.001 0.000 0.238 352 R C 1.676 178.102 176.300 0.210 0.000 1.134 352 R CA 1.490 57.668 56.100 0.130 0.000 0.975 352 R CB -0.541 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 -0.651 122.257 122.820 0.148 0.000 2.169 353 A HA 0.177 4.496 4.320 -0.001 0.000 0.212 353 A C 1.393 179.059 177.584 0.136 0.000 1.153 353 A CA 0.911 53.039 52.037 0.152 0.000 0.756 353 A CB -0.031 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 -0.798 108.007 108.800 0.009 0.000 2.144 354 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.218 354 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.218 354 G C -0.509 174.244 174.900 -0.245 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 1.202 121.548 120.400 -0.090 0.000 2.177 355 D HA 0.456 5.095 4.640 -0.001 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 1.626 42.417 40.800 -0.016 0.000 1.168 355 D HN 0.023 nan 8.370 nan 0.000 0.445 356 P HA 0.098 nan 4.420 nan 0.000 0.265 356 P C -0.429 176.904 177.300 0.056 0.000 1.193 356 P CA 0.127 63.240 63.100 0.021 0.000 0.765 356 P CB 0.422 32.107 31.700 -0.024 0.000 0.823 357 I N -0.958 119.678 120.570 0.111 0.000 2.646 357 I HA 0.662 4.832 4.170 -0.001 0.000 0.299 357 I C -0.736 175.437 176.117 0.093 0.000 1.036 357 I CA -0.634 60.734 61.300 0.115 0.000 1.074 357 I CB 2.563 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 4.176 118.768 114.554 0.063 0.000 2.841 358 T HA 0.529 4.879 4.350 -0.001 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 2.207 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 3.712 123.503 119.914 -0.204 0.000 2.334 359 V HA 0.380 4.499 4.120 -0.001 0.000 0.281 359 V C 0.409 176.391 176.094 -0.187 0.000 1.016 359 V CA -0.892 61.334 62.300 -0.123 0.000 0.832 359 V CB 1.257 33.046 31.823 -0.056 0.000 0.999 359 V HN 0.708 nan 8.190 nan 0.000 0.439 360 K N 3.743 124.068 120.400 -0.126 0.000 2.326 360 K HA 0.201 4.520 4.320 -0.001 0.000 0.275 360 K C 0.642 177.140 176.600 -0.171 0.000 1.018 360 K CA 0.111 56.309 56.287 -0.149 0.000 0.962 360 K CB 0.065 32.491 32.500 -0.123 0.000 0.953 360 K HN 0.832 nan 8.250 nan 0.000 0.475 361 N N 1.679 120.263 118.700 -0.193 0.000 2.705 361 N HA -0.272 4.467 4.740 -0.001 0.000 0.255 361 N C 0.216 175.692 175.510 -0.058 0.000 1.008 361 N CA 0.204 53.150 53.050 -0.173 0.000 0.742 361 N CB -0.584 37.584 38.487 -0.532 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 -0.001 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 -0.123 119.775 119.914 -0.027 0.000 2.588 363 V HA 0.410 4.530 4.120 -0.001 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 1.132 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 4.962 123.640 118.600 0.130 0.000 2.456 364 c HA 0.901 5.471 4.570 -0.001 0.000 0.325 364 c C -0.604 173.496 174.090 0.017 0.000 1.217 364 c CA -0.749 55.576 56.329 -0.008 0.000 1.687 364 c CB 0.217 42.696 42.510 -0.052 0.000 2.270 364 c HN 0.780 nan 8.230 nan 0.000 0.499 365 I N 5.545 126.080 120.570 -0.059 0.000 2.498 365 I HA 0.643 4.812 4.170 -0.001 0.000 0.290 365 I C -0.281 175.789 176.117 -0.079 0.000 1.032 365 I CA -0.096 61.115 61.300 -0.149 0.000 1.073 365 I CB 1.765 39.550 38.000 -0.358 0.000 1.251 365 I HN 0.986 nan 8.210 nan 0.000 0.426 366 H N 3.982 122.871 119.070 -0.301 0.000 2.950 366 H HA 0.452 5.007 4.556 -0.001 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 1.234 30.997 29.762 0.002 0.000 1.844 366 H HN 0.626 nan 8.280 nan 0.000 0.515 367 E N 1.169 121.406 120.200 0.061 0.000 2.207 367 E HA 0.628 4.978 4.350 -0.001 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 2.754 32.554 29.700 0.166 0.000 1.172 367 E HN 0.622 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 4.501 4.350 -0.001 0.000 0.273 368 E C -1.304 175.343 176.600 0.078 0.000 0.918 368 E CA -0.963 55.485 56.400 0.079 0.000 0.773 368 E CB 2.007 31.740 29.700 0.055 0.000 1.275 368 E HN 0.531 nan 8.360 nan 0.000 0.451 369 D N 1.008 121.451 120.400 0.072 0.000 2.382 369 D HA -0.006 4.634 4.640 -0.001 0.000 0.245 369 D C -0.703 175.622 176.300 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 41.913 40.800 0.045 0.000 1.201 369 D HN 0.348 nan 8.370 nan 0.000 0.433 370 D N 1.927 122.352 120.400 0.041 0.000 2.895 370 D HA 0.325 4.964 4.640 -0.001 0.000 0.350 370 D C 0.632 176.938 176.300 0.011 0.000 1.389 370 D CA 0.404 54.419 54.000 0.024 0.000 0.812 370 D CB -0.148 40.677 40.800 0.041 0.000 1.164 370 D HN 0.709 nan 8.370 nan 0.000 0.455 371 G N 0.311 109.113 108.800 0.004 0.000 2.539 371 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.256 371 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.256 371 G C -0.364 174.525 174.900 -0.020 0.000 1.233 371 G CA -0.159 44.937 45.100 -0.007 0.000 0.936 371 G HN 0.308 nan 8.290 nan 0.000 0.571 372 L N 0.539 121.747 121.223 -0.025 0.000 2.326 372 L HA 0.458 4.797 4.340 -0.001 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 1.290 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 3.949 125.056 121.223 -0.194 0.000 2.168 373 L HA 0.261 4.601 4.340 -0.001 0.000 0.203 373 L C -0.183 176.619 176.870 -0.113 0.000 1.078 373 L CA 1.301 55.999 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 -2.629 117.344 119.950 0.037 0.000 2.769 374 F HA 0.565 5.092 4.527 -0.001 0.000 0.313 374 F C -0.829 175.001 175.800 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 0.816 121.432 120.400 0.359 0.000 2.587 375 K HA 0.632 4.952 4.320 -0.001 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 -0.001 0.000 0.333 376 H C -2.019 173.370 175.328 0.102 0.000 1.093 376 H CA -0.257 55.843 56.048 0.087 0.000 1.342 376 H CB 1.852 31.658 29.762 0.075 0.000 1.983 376 H HN 0.526 nan 8.280 nan 0.000 0.503 377 S N 3.200 118.528 115.700 -0.621 0.000 2.542 377 S HA 0.250 4.720 4.470 -0.001 0.000 0.293 377 S C -1.268 173.151 174.600 -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 0.657 nan 8.310 nan 0.000 0.483 378 D N 1.507 121.878 120.400 -0.048 0.000 2.280 378 D HA 0.234 4.873 4.640 -0.001 0.000 0.243 378 D C 0.842 177.122 176.300 -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 3.761 123.728 119.950 0.029 0.000 2.365 379 F HA 0.034 4.560 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 -1.024 0.000 2.117 380 R HA -0.171 4.168 4.340 -0.001 0.000 0.243 380 R C 0.495 176.614 176.300 -0.302 0.000 1.143 380 R CA 1.743 57.445 56.100 -0.664 0.000 0.968 380 R CB -0.844 29.080 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 0.020 4.659 4.640 -0.001 0.000 0.257 381 D C -0.531 175.667 176.300 -0.169 0.000 1.291 381 D CA -0.456 53.450 54.000 -0.156 0.000 0.836 381 D CB -0.783 39.960 40.800 -0.094 0.000 1.059 381 D HN 0.137 nan 8.370 nan 0.000 0.486 382 N N 1.050 119.567 118.700 -0.305 0.000 2.727 382 N HA -0.288 4.451 4.740 -0.001 0.000 0.249 382 N C -0.666 174.611 175.510 -0.388 0.000 1.048 382 N CA 0.322 53.087 53.050 -0.475 0.000 0.714 382 N CB -0.841 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 -0.001 0.000 0.310 383 F C 1.689 177.496 175.800 0.013 0.000 0.688 383 F CA 0.785 58.782 58.000 -0.006 0.000 1.286 383 F CB -2.198 36.805 39.000 0.005 0.000 1.612 383 F HN 0.298 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 4.289 4.320 -0.001 0.000 0.218 384 A C 1.470 179.130 177.584 0.128 0.000 1.175 384 A CA 1.949 54.055 52.037 0.115 0.000 0.628 384 A CB -0.473 18.562 19.000 0.058 0.000 0.814 384 A HN 0.353 nan 8.150 nan 0.000 0.444 385 T N 0.964 115.565 114.554 0.078 0.000 2.727 385 T HA 0.455 4.804 4.350 -0.001 0.000 0.295 385 T C -0.266 174.487 174.700 0.088 0.000 0.915 385 T CA 0.561 62.695 62.100 0.057 0.000 1.066 385 T CB 0.236 69.108 68.868 0.006 0.000 0.891 385 T HN 0.332 nan 8.240 nan 0.000 0.516 386 S N 3.517 119.287 115.700 0.118 0.000 2.547 386 S HA 0.728 5.198 4.470 -0.001 0.000 0.270 386 S C -1.914 172.774 174.600 0.147 0.000 1.150 386 S CA -0.884 57.402 58.200 0.143 0.000 0.850 386 S CB 1.175 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 3.741 125.059 121.223 0.158 0.000 2.470 387 L HA 0.869 5.209 4.340 -0.001 0.000 0.268 387 L C -1.863 175.135 176.870 0.212 0.000 0.964 387 L CA -0.481 54.456 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 2.802 122.838 119.914 0.202 0.000 2.638 388 V HA 0.612 4.732 4.120 -0.001 0.000 0.306 388 V C -0.500 175.631 176.094 0.061 0.000 1.052 388 V CA -0.405 61.982 62.300 0.145 0.000 0.885 388 V CB 2.133 34.032 31.823 0.128 0.000 0.999 388 V HN 0.780 nan 8.190 nan 0.000 0.424 389 T N 4.613 119.107 114.554 -0.099 0.000 2.840 389 T HA 0.475 4.825 4.350 -0.001 0.000 0.287 389 T C -0.172 174.341 174.700 -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 -0.580 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 5.024 4.340 -0.001 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 0.821 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 1.476 124.256 122.820 -0.066 0.000 2.295 391 A HA 0.516 4.836 4.320 -0.001 0.000 0.318 391 A C -0.505 177.126 177.584 0.077 0.000 1.134 391 A CA -0.348 51.685 52.037 -0.006 0.000 0.827 391 A CB 1.343 20.348 19.000 0.009 0.000 1.136 391 A HN 0.607 nan 8.150 nan 0.000 0.493 392 T N 1.867 116.526 114.554 0.174 0.000 2.861 392 T HA 0.535 4.885 4.350 -0.001 0.000 0.287 392 T C -0.561 174.388 174.700 0.416 0.000 1.003 392 T CA -0.678 61.584 62.100 0.271 0.000 0.977 392 T CB 1.306 70.385 68.868 0.352 0.000 0.996 392 T HN 0.778 nan 8.240 nan 0.000 0.448 393 K N 2.393 122.924 120.400 0.219 0.000 2.259 393 K HA 0.692 5.011 4.320 -0.001 0.000 0.249 393 K C -1.128 175.278 176.600 -0.323 0.000 0.942 393 K CA -1.095 55.233 56.287 0.067 0.000 0.816 393 K CB 1.837 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 3.544 124.313 121.223 -0.758 0.000 2.282 394 L HA 0.411 4.750 4.340 -0.001 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 1.591 42.645 42.059 -1.675 0.000 1.209 394 L HN 0.595 nan 8.230 nan 0.000 0.423 395 V N 5.846 125.464 119.914 -0.493 0.000 2.448 395 V HA 0.432 4.551 4.120 -0.001 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 -0.403 0.000 0.988 395 V HN 0.511 nan 8.190 nan 0.000 0.431 396 V N 3.906 123.855 119.914 0.060 0.000 2.350 396 V HA 0.655 4.775 4.120 -0.001 0.000 0.285 396 V C 0.018 176.256 176.094 0.239 0.000 1.014 396 V CA -0.048 62.324 62.300 0.120 0.000 0.831 396 V CB 1.479 33.408 31.823 0.176 0.000 1.000 396 V HN 0.908 nan 8.190 nan 0.000 0.433 397 S N 4.267 120.073 115.700 0.177 0.000 2.632 397 S HA 0.886 5.356 4.470 -0.001 0.000 0.289 397 S C -1.119 173.548 174.600 0.111 0.000 1.115 397 S CA -0.540 57.721 58.200 0.102 0.000 0.889 397 S CB 2.256 65.452 63.200 -0.006 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 -0.001 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 1.399 30.346 28.738 0.349 0.000 1.470 398 Q HN 0.638 nan 8.270 nan 0.000 0.406 399 I N 2.359 123.004 120.570 0.124 0.000 2.548 399 I HA 0.482 4.651 4.170 -0.001 0.000 0.287 399 I C -1.240 175.002 176.117 0.208 0.000 1.103 399 I CA -0.863 60.476 61.300 0.065 0.000 1.049 399 I CB 1.478 39.485 38.000 0.012 0.000 1.232 399 I HN 0.690 nan 8.210 nan 0.000 0.429 400 F N 3.145 123.180 119.950 0.141 0.000 2.538 400 F HA 0.805 5.332 4.527 -0.001 0.000 0.325 400 F C -0.510 175.391 175.800 0.167 0.000 1.066 400 F CA -0.781 57.314 58.000 0.159 0.000 0.946 400 F CB 1.525 40.620 39.000 0.159 0.000 1.199 400 F HN 0.145 nan 8.300 nan 0.000 0.473 401 T N 2.416 117.201 114.554 0.385 0.000 2.770 401 T HA 0.669 5.019 4.350 -0.001 0.000 0.283 401 T C -0.377 174.494 174.700 0.285 0.000 0.988 401 T CA -0.436 61.804 62.100 0.233 0.000 0.957 401 T CB 1.185 70.136 68.868 0.138 0.000 0.930 401 T HN 0.906 nan 8.240 nan 0.000 0.443 402 A N 2.857 125.827 122.820 0.251 0.000 2.801 402 A HA 0.756 5.075 4.320 -0.001 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 -1.018 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 -0.001 0.000 0.331 403 A C 1.006 178.626 177.584 0.061 0.000 1.849 403 A CA 1.603 53.641 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 4.964 4.550 -0.001 0.000 0.334 407 Y C -0.364 175.261 175.900 -0.458 0.000 0.958 407 Y CA -0.773 56.979 58.100 -0.579 0.000 1.196 407 Y CB 1.138 38.994 38.460 -1.007 0.000 1.137 407 Y HN 0.462 nan 8.280 nan 0.000 0.485 408 C N 5.846 125.044 119.300 -0.171 0.000 2.265 408 C HA 0.561 5.021 4.460 -0.001 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 -1.202 26.504 27.740 -0.056 0.000 2.348 408 C HN 0.635 nan 8.230 nan 0.000 0.519 409 L N 4.018 124.977 121.223 -0.440 0.000 2.296 409 L HA 0.509 4.849 4.340 -0.001 0.000 0.286 409 L C -1.053 175.460 176.870 -0.595 0.000 1.023 409 L CA -0.422 54.188 54.840 -0.383 0.000 0.812 409 L CB 0.630 42.620 42.059 -0.114 0.000 1.223 409 L HN 0.606 nan 8.230 nan 0.000 0.421 410 Y N 0.852 121.008 120.300 -0.240 0.000 2.332 410 Y HA 0.313 4.862 4.550 -0.001 0.000 0.326 410 Y C -0.844 174.872 175.900 -0.306 0.000 0.978 410 Y CA -0.754 57.246 58.100 -0.167 0.000 1.205 410 Y CB 1.047 39.437 38.460 -0.116 0.000 1.131 410 Y HN 0.463 nan 8.280 nan 0.000 0.462 411 W N 3.654 124.971 121.300 0.028 0.000 2.335 411 W HA 0.624 5.284 4.660 -0.001 0.000 0.306 411 W C -0.878 175.586 176.519 -0.092 0.000 1.216 411 W CA -0.718 56.578 57.345 -0.081 0.000 1.237 411 W CB 1.055 30.478 29.460 -0.063 0.000 1.243 411 W HN 0.141 nan 8.180 nan 0.000 0.493 412 V N 5.242 125.123 119.914 -0.056 0.000 2.448 412 V HA 0.427 4.546 4.120 -0.001 0.000 0.295 412 V C -0.577 175.364 176.094 -0.254 0.000 1.025 412 V CA -1.112 61.131 62.300 -0.095 0.000 0.859 412 V CB 0.742 32.505 31.823 -0.101 0.000 0.988 412 V HN 0.195 nan 8.190 nan 0.000 0.431 413 F N 4.446 124.275 119.950 -0.201 0.000 2.443 413 F HA 0.729 5.256 4.527 -0.001 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 1.765 40.547 39.000 -0.364 0.000 1.136 413 F HN 0.278 nan 8.300 nan 0.000 0.470 414 M N 1.897 121.820 119.600 0.538 0.000 2.662 414 M HA 0.316 4.795 4.480 -0.001 0.000 0.310 414 M C 0.600 177.307 176.300 0.678 0.000 1.204 414 M CA -0.610 55.031 55.300 0.569 0.000 0.891 414 M CB 2.173 34.949 32.600 0.293 0.000 1.732 414 M HN 0.580 nan 8.290 nan 0.000 0.467 415 Q N 0.732 120.808 119.800 0.459 0.000 2.515 415 Q HA -0.105 4.235 4.340 -0.001 0.000 0.212 415 Q C 0.260 176.355 176.000 0.158 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 0.110 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 0.066 4.706 4.640 -0.001 0.000 0.214 416 D C 1.107 177.421 176.300 0.024 0.000 1.093 416 D CA 0.580 54.622 54.000 0.070 0.000 0.837 416 D CB 0.398 41.255 40.800 0.096 0.000 0.948 416 D HN 0.203 nan 8.370 nan 0.000 0.507 417 G N -0.037 108.865 108.800 0.169 0.000 2.176 417 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.253 417 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.253 417 G C 0.501 175.721 174.900 0.532 0.000 0.979 417 G CA 0.132 45.376 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 5.121 4.320 -0.001 0.000 0.269 418 A C 0.201 177.916 177.584 0.219 0.000 1.094 418 A CA -0.043 52.155 52.037 0.269 0.000 0.807 418 A CB 0.548 19.619 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 0.520 4.689 4.170 -0.001 0.000 0.293 419 I C 0.178 176.193 176.117 -0.170 0.000 1.020 419 I CA -0.394 60.765 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 5.774 126.129 120.500 -0.242 0.000 2.744 420 R HA 0.646 4.986 4.340 -0.001 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 2.312 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 3.764 124.782 121.223 -0.341 0.000 2.319 421 L HA 0.455 4.795 4.340 -0.001 0.000 0.281 421 L C -1.471 175.168 176.870 -0.385 0.000 1.005 421 L CA -0.629 53.894 54.840 -0.527 0.000 0.828 421 L CB 1.560 43.170 42.059 -0.749 0.000 1.227 421 L HN 0.692 nan 8.230 nan 0.000 0.415 422 D N 5.980 126.211 120.400 -0.281 0.000 2.192 422 D HA 0.566 5.205 4.640 -0.001 0.000 0.246 422 D C -0.396 175.874 176.300 -0.051 0.000 1.042 422 D CA 0.013 53.925 54.000 -0.145 0.000 0.847 422 D CB 2.743 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 1.537 122.071 120.570 -0.059 0.000 2.545 423 I HA 0.393 4.563 4.170 -0.001 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 40.063 38.000 -0.197 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.173 126.700 120.500 0.045 0.000 2.513 424 R HA 0.635 4.975 4.340 -0.001 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 2.270 32.606 30.300 0.060 0.000 1.177 424 R HN 0.484 nan 8.270 nan 0.000 0.444 425 L N 2.021 123.130 121.223 -0.190 0.000 2.295 425 L HA 0.539 4.879 4.340 -0.001 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 -0.344 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 0.920 115.293 114.554 -0.303 0.000 2.598 426 T HA 0.824 5.174 4.350 -0.001 0.000 0.289 426 T C -0.093 174.466 174.700 -0.236 0.000 1.056 426 T CA 0.413 62.380 62.100 -0.222 0.000 1.088 426 T CB 1.474 70.234 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 -0.001 0.000 0.218 427 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.218 427 G C -1.069 173.703 174.900 -0.214 0.000 1.237 427 G CA -0.190 44.783 45.100 -0.212 0.000 0.954 427 G HN 0.924 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 -0.001 0.000 0.296 428 I C 0.690 176.707 176.117 -0.167 0.000 1.028 428 I CA -0.910 60.250 61.300 -0.233 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 4.551 125.778 121.223 0.007 0.000 2.485 429 L HA 0.066 4.406 4.340 -0.001 0.000 0.275 429 L C 0.815 177.694 176.870 0.015 0.000 1.207 429 L CA 0.136 55.027 54.840 0.086 0.000 0.855 429 L CB 0.020 42.188 42.059 0.182 0.000 1.114 429 L HN 0.661 nan 8.230 nan 0.000 0.485 430 N N 1.723 120.472 118.700 0.081 0.000 2.497 430 N HA 0.107 4.847 4.740 -0.001 0.000 0.271 430 N C -0.800 174.778 175.510 0.113 0.000 1.142 430 N CA -0.170 52.953 53.050 0.121 0.000 0.965 430 N CB 1.006 39.575 38.487 0.137 0.000 1.077 430 N HN 0.698 nan 8.380 nan 0.000 0.462 431 T N 0.708 115.391 114.554 0.216 0.000 2.907 431 T HA 0.447 4.797 4.350 -0.001 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 5.226 4.550 -0.001 0.000 0.346 432 Y C -0.603 175.200 175.900 -0.160 0.000 1.018 432 Y CA -2.168 55.783 58.100 -0.249 0.000 1.050 432 Y CB 1.525 39.726 38.460 -0.433 0.000 1.280 432 Y HN 1.006 nan 8.280 nan 0.000 0.474 433 I N 4.433 124.377 120.570 -1.044 0.000 2.696 433 I HA 0.251 4.420 4.170 -0.001 0.000 0.284 433 I C -1.301 174.551 176.117 -0.442 0.000 1.129 433 I CA -0.274 60.635 61.300 -0.652 0.000 1.410 433 I CB 0.543 38.179 38.000 -0.606 0.000 1.399 433 I HN 0.602 nan 8.210 nan 0.000 0.579 434 L N 7.185 128.274 121.223 -0.223 0.000 2.381 434 L HA 0.634 4.974 4.340 -0.001 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 1.520 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 2.362 111.142 108.800 -0.032 0.000 2.594 435 G HA2 0.130 4.090 3.960 -0.001 0.000 0.243 435 G HA3 0.130 4.090 3.960 -0.001 0.000 0.243 435 G C 0.330 175.221 174.900 -0.015 0.000 1.229 435 G CA -0.200 44.888 45.100 -0.019 0.000 0.843 435 G HN 0.786 nan 8.290 nan 0.000 0.578 436 D N 0.121 120.516 120.400 -0.007 0.000 2.149 436 D HA -0.137 4.502 4.640 -0.001 0.000 0.198 436 D C 1.540 177.838 176.300 -0.004 0.000 0.990 436 D CA 1.565 55.565 54.000 -0.002 0.000 0.839 436 D CB 0.147 40.953 40.800 0.010 0.000 0.948 436 D HN 0.646 nan 8.370 nan 0.000 0.460 437 D N 0.040 120.441 120.400 0.002 0.000 2.491 437 D HA 0.001 4.640 4.640 -0.001 0.000 0.228 437 D C 0.038 176.344 176.300 0.010 0.000 1.183 437 D CA -0.143 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 0.788 120.994 120.200 0.011 0.000 2.166 438 E HA 0.214 4.564 4.350 -0.001 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 4.632 4.350 -0.001 0.000 0.281 439 E C -0.196 176.423 176.600 0.031 0.000 1.027 439 E CA 0.117 56.523 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 4.142 126.978 122.820 0.027 0.000 1.898 440 A HA 0.217 4.537 4.320 -0.001 0.000 0.214 440 A C 1.342 178.952 177.584 0.043 0.000 1.183 440 A CA 0.869 52.948 52.037 0.069 0.000 0.622 440 A CB -0.942 18.092 19.000 0.057 0.000 0.824 440 A HN 0.667 nan 8.150 nan 0.000 0.444 441 G N -0.375 108.405 108.800 -0.032 0.000 2.664 441 G HA2 0.353 4.313 3.960 -0.001 0.000 0.242 441 G HA3 0.353 4.313 3.960 -0.001 0.000 0.242 441 G C -1.135 173.575 174.900 -0.317 0.000 1.225 441 G CA -0.088 44.934 45.100 -0.130 0.000 0.849 441 G HN 0.268 nan 8.290 nan 0.000 0.581 442 P HA 0.066 nan 4.420 nan 0.000 0.255 442 P C 0.534 177.636 177.300 -0.329 0.000 1.248 442 P CA 0.345 63.110 63.100 -0.559 0.000 0.807 442 P CB 0.160 31.406 31.700 -0.755 0.000 1.150 443 W N 0.723 122.077 121.300 0.090 0.000 3.139 443 W HA 0.366 5.026 4.660 -0.001 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 0.281 29.747 29.460 0.009 0.000 1.118 443 W HN -0.001 nan 8.180 nan 0.000 0.675 444 G N -0.621 108.372 108.800 0.321 0.000 2.606 444 G HA2 0.516 4.476 3.960 -0.001 0.000 0.300 444 G HA3 0.516 4.476 3.960 -0.001 0.000 0.300 444 G C -1.469 173.532 174.900 0.169 0.000 1.360 444 G CA -0.634 44.649 45.100 0.304 0.000 0.783 444 G HN -0.295 nan 8.290 nan 0.000 0.484 445 T N 0.043 114.671 114.554 0.124 0.000 2.861 445 T HA 0.475 4.824 4.350 -0.001 0.000 0.287 445 T C -0.068 174.636 174.700 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 2.879 123.371 120.500 -0.013 0.000 2.325 446 R HA 0.288 4.628 4.340 -0.001 0.000 0.323 446 R C 1.061 177.323 176.300 -0.064 0.000 1.177 446 R CA -0.218 55.849 56.100 -0.055 0.000 1.018 446 R CB -0.263 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 2.139 121.979 119.914 -0.123 0.000 3.608 447 V HA 0.255 4.375 4.120 -0.001 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 30.753 31.823 -0.244 0.000 0.841 447 V HN 0.677 nan 8.190 nan 0.000 0.451 448 Y N -0.841 119.310 120.300 -0.249 0.000 2.620 448 Y HA 0.564 5.113 4.550 -0.001 0.000 0.331 448 Y C -3.159 172.605 175.900 -0.227 0.000 1.173 448 Y CA -2.272 55.731 58.100 -0.161 0.000 1.076 448 Y CB 1.607 40.010 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 1.213 63.897 63.100 -0.694 0.000 0.761 449 P CB 0.288 31.188 31.700 -1.334 0.000 0.785 450 N N -0.279 118.266 118.700 -0.258 0.000 2.800 450 N HA -0.133 4.607 4.740 -0.001 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 -1.518 36.890 38.487 -0.131 0.000 1.135 450 N HN 0.173 nan 8.380 nan 0.000 0.565 451 V N 1.182 121.006 119.914 -0.150 0.000 2.409 451 V HA 0.309 4.428 4.120 -0.001 0.000 0.291 451 V C 0.292 176.285 176.094 -0.167 0.000 1.020 451 V CA -0.806 61.396 62.300 -0.163 0.000 0.848 451 V CB 1.984 33.681 31.823 -0.210 0.000 0.990 451 V HN 0.196 nan 8.190 nan 0.000 0.430 452 N N 3.249 121.859 118.700 -0.149 0.000 2.476 452 N HA 0.628 5.368 4.740 -0.001 0.000 0.257 452 N C -0.335 175.071 175.510 -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 -0.040 0.000 1.144 452 N HN 0.830 nan 8.380 nan 0.000 0.500 453 A N 3.656 126.420 122.820 -0.093 0.000 2.280 453 A HA 0.246 4.565 4.320 -0.001 0.000 0.320 453 A C -0.577 177.083 177.584 0.126 0.000 1.366 453 A CA -0.445 51.573 52.037 -0.032 0.000 0.938 453 A CB -0.146 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 2.148 121.334 119.070 0.194 0.000 2.790 454 H HA 0.051 4.606 4.556 -0.001 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 0.313 0.000 1.424 454 H HN 0.658 nan 8.280 nan 0.000 0.599 455 N N 2.808 121.710 118.700 0.337 0.000 2.453 455 N HA 0.032 4.771 4.740 -0.001 0.000 0.253 455 N C -0.120 175.333 175.510 -0.096 0.000 1.252 455 N CA 0.329 53.405 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 4.868 4.556 -0.001 0.000 0.316 456 H C -1.435 173.567 175.328 -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 -0.001 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 1.649 120.681 119.070 -0.063 0.000 2.762 458 H HA 0.411 4.967 4.556 -0.001 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 0.715 30.550 29.762 0.122 0.000 1.437 458 H HN 0.365 nan 8.280 nan 0.000 0.498 459 L N 3.973 125.029 121.223 -0.278 0.000 2.346 459 L HA 0.474 4.813 4.340 -0.001 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 43.433 42.059 -0.047 0.000 1.272 459 L HN 0.297 nan 8.230 nan 0.000 0.421 460 F N 0.008 119.833 119.950 -0.208 0.000 2.561 460 F HA 0.449 4.976 4.527 -0.001 0.000 0.321 460 F C 0.330 176.025 175.800 -0.175 0.000 1.065 460 F CA -0.831 56.995 58.000 -0.289 0.000 0.934 460 F CB 2.142 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 3.215 118.837 115.700 -0.130 0.000 2.577 461 S HA 0.410 4.879 4.470 -0.001 0.000 0.294 461 S C -0.871 173.797 174.600 0.114 0.000 1.161 461 S CA -0.581 57.515 58.200 -0.174 0.000 1.143 461 S CB -0.006 62.639 63.200 -0.924 0.000 0.991 461 S HN 0.632 nan 8.310 nan 0.000 0.475 462 L N 5.826 127.233 121.223 0.306 0.000 2.361 462 L HA 0.423 4.762 4.340 -0.001 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 0.475 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 -0.001 0.000 0.332 463 R C -1.166 174.883 176.300 -0.417 0.000 0.989 463 R CA -0.520 55.246 56.100 -0.557 0.000 0.842 463 R CB 0.790 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 3.617 123.943 120.570 -0.406 0.000 2.389 464 I HA 0.177 4.346 4.170 -0.001 0.000 0.288 464 I C -0.624 175.355 176.117 -0.230 0.000 0.999 464 I CA -0.748 60.332 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 9.571 129.868 120.400 -0.170 0.000 2.473 465 D HA 0.315 4.955 4.640 -0.001 0.000 0.226 465 D C -2.514 173.828 176.300 0.071 0.000 1.089 465 D CA -2.028 51.967 54.000 -0.009 0.000 0.883 465 D CB 1.433 42.265 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 -0.438 176.945 177.300 0.139 0.000 1.252 466 P CA -0.566 62.681 63.100 0.245 0.000 0.811 466 P CB 1.342 33.170 31.700 0.213 0.000 1.035 467 R N 1.781 122.353 120.500 0.119 0.000 2.533 467 R HA 0.247 4.587 4.340 -0.001 0.000 0.268 467 R C -0.224 176.098 176.300 0.036 0.000 1.303 467 R CA -0.335 55.798 56.100 0.056 0.000 1.429 467 R CB -0.161 30.179 30.300 0.068 0.000 1.361 467 R HN 0.300 nan 8.270 nan 0.000 0.745 468 I N 2.607 123.207 120.570 0.049 0.000 2.818 468 I HA -0.045 4.125 4.170 -0.001 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 4.952 125.493 120.400 0.235 0.000 2.811 469 D HA -0.150 4.489 4.640 -0.001 0.000 0.231 469 D C 0.562 176.882 176.300 0.034 0.000 1.157 469 D CA 1.653 55.712 54.000 0.099 0.000 0.716 469 D CB -0.682 40.078 40.800 -0.066 0.000 1.077 469 D HN 1.187 nan 8.370 nan 0.000 0.428 470 G N -1.056 107.772 108.800 0.046 0.000 2.373 470 G HA2 0.018 3.977 3.960 -0.001 0.000 0.634 470 G HA3 0.018 3.977 3.960 -0.001 0.000 0.634 470 G C -1.164 173.741 174.900 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 0.547 120.941 120.400 -0.010 0.000 2.283 471 D HA 0.541 5.181 4.640 -0.001 0.000 0.248 471 D C 0.811 177.097 176.300 -0.023 0.000 1.072 471 D CA 1.331 55.316 54.000 -0.025 0.000 0.929 471 D CB 1.258 42.035 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 -0.001 0.000 0.298 472 G HA3 -0.158 3.802 3.960 -0.001 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 -0.362 118.296 118.700 -0.070 0.000 2.453 473 N HA 0.882 5.621 4.740 -0.001 0.000 0.290 473 N C -0.216 175.162 175.510 -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 -0.677 114.740 115.700 -0.472 0.000 2.651 474 S HA 0.929 5.398 4.470 -0.001 0.000 0.279 474 S C -1.242 173.131 174.600 -0.380 0.000 1.148 474 S CA -0.690 57.201 58.200 -0.516 0.000 0.837 474 S CB 2.052 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 0.329 123.154 122.820 0.008 0.000 2.469 475 A HA 1.011 5.331 4.320 -0.001 0.000 0.299 475 A C -0.944 176.650 177.584 0.016 0.000 1.098 475 A CA -0.528 51.677 52.037 0.281 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 -0.286 122.485 122.820 -0.081 0.000 2.610 476 A HA 0.886 5.205 4.320 -0.001 0.000 0.291 476 A C -0.450 176.967 177.584 -0.278 0.000 1.086 476 A CA 0.023 51.722 52.037 -0.564 0.000 0.677 476 A CB 0.911 19.845 19.000 -0.111 0.000 1.278 476 A HN 2.474 nan 8.150 nan 0.000 0.414 477 A N -0.218 122.423 122.820 -0.297 0.000 2.312 477 A HA 0.624 4.944 4.320 -0.001 0.000 0.326 477 A C -0.417 177.079 177.584 -0.147 0.000 1.172 477 A CA -0.351 51.621 52.037 -0.109 0.000 0.821 477 A CB 0.321 19.392 19.000 0.118 0.000 1.166 477 A HN 1.278 nan 8.150 nan 0.000 0.493 478 C N 2.204 121.379 119.300 -0.210 0.000 2.319 478 C HA 0.630 5.089 4.460 -0.001 0.000 0.323 478 C C -0.843 174.041 174.990 -0.177 0.000 1.277 478 C CA -0.829 58.102 59.018 -0.146 0.000 1.517 478 C CB 0.346 28.028 27.740 -0.098 0.000 2.206 478 C HN 0.791 nan 8.230 nan 0.000 0.486 479 D N 2.173 122.482 120.400 -0.151 0.000 2.502 479 D HA 0.484 5.123 4.640 -0.001 0.000 0.249 479 D C -0.324 175.858 176.300 -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 0.675 nan 8.370 nan 0.000 0.511 480 A N 2.987 125.699 122.820 -0.180 0.000 2.409 480 A HA 0.430 4.749 4.320 -0.001 0.000 0.262 480 A C 0.082 177.521 177.584 -0.242 0.000 1.113 480 A CA 0.037 51.959 52.037 -0.193 0.000 0.790 480 A CB 0.358 19.256 19.000 -0.169 0.000 1.046 480 A HN 0.457 nan 8.150 nan 0.000 0.496 481 K N 1.829 122.031 120.400 -0.331 0.000 2.502 481 K HA 0.462 4.782 4.320 -0.001 0.000 0.257 481 K C -0.739 175.815 176.600 -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 -0.001 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 1.194 64.472 63.200 0.130 0.000 0.912 482 S HN 0.599 nan 8.310 nan 0.000 0.541 483 S N 2.446 118.361 115.700 0.359 0.000 2.568 483 S HA 0.098 4.567 4.470 -0.001 0.000 0.282 483 S C -1.162 173.573 174.600 0.226 0.000 1.338 483 S CA -1.113 57.289 58.200 0.336 0.000 1.045 483 S CB 0.301 63.664 63.200 0.271 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 -0.259 176.966 177.300 -0.124 0.000 1.160 484 P CA 0.609 63.691 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 2.818 123.141 120.300 0.038 0.000 2.425 485 Y HA 0.170 4.720 4.550 -0.001 0.000 0.331 485 Y C -1.261 174.657 175.900 0.030 0.000 1.157 485 Y CA -2.258 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 -0.355 176.996 177.300 0.084 0.000 1.246 486 P CA -0.481 62.673 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 4.458 4.340 -0.001 0.000 0.280 487 L C 1.479 178.348 176.870 -0.002 0.000 1.223 487 L CA 1.729 56.588 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 2.395 111.164 108.800 -0.051 0.000 2.176 488 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.253 488 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.253 488 G C 0.263 175.130 174.900 -0.055 0.000 0.979 488 G CA 0.402 45.453 45.100 -0.082 0.000 0.641 488 G HN 0.963 nan 8.290 nan 0.000 0.530 489 S N 0.041 115.733 115.700 -0.014 0.000 2.632 489 S HA 0.655 5.125 4.470 -0.001 0.000 0.271 489 S C -0.928 173.647 174.600 -0.042 0.000 1.260 489 S CA -0.655 57.547 58.200 0.003 0.000 1.010 489 S CB 2.305 65.557 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 0.708 177.937 177.300 -0.117 0.000 1.148 490 P CA 1.122 64.174 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 -1.772 118.308 120.200 -0.199 0.000 2.358 491 E HA -0.029 4.321 4.350 -0.001 0.000 0.195 491 E C 0.693 177.210 176.600 -0.138 0.000 1.010 491 E CA 0.646 56.861 56.400 -0.308 0.000 0.856 491 E CB -0.354 28.824 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 4.822 4.740 -0.001 0.000 0.265 492 N C 0.190 175.718 175.510 0.030 0.000 1.689 492 N CA -0.029 53.048 53.050 0.045 0.000 0.813 492 N CB 0.004 38.561 38.487 0.118 0.000 1.353 492 N HN -0.088 nan 8.380 nan 0.000 0.510 493 M N 0.420 120.011 119.600 -0.015 0.000 2.088 493 M HA -0.121 4.359 4.480 -0.001 0.000 0.256 493 M C 0.226 176.351 176.300 -0.292 0.000 1.071 493 M CA 2.092 57.284 55.300 -0.180 0.000 1.097 493 M CB -0.397 32.045 32.600 -0.263 0.000 1.315 493 M HN 0.394 nan 8.290 nan 0.000 0.406 494 Y N -0.583 119.731 120.300 0.022 0.000 2.493 494 Y HA 0.448 4.998 4.550 -0.001 0.000 0.275 494 Y C 1.467 177.393 175.900 0.043 0.000 1.183 494 Y CA 0.030 58.147 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 1.586 110.475 108.800 0.149 0.000 2.258 495 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.274 495 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.274 495 G C 0.950 175.944 174.900 0.156 0.000 1.021 495 G CA 0.836 46.016 45.100 0.133 0.000 0.798 495 G HN 0.596 nan 8.290 nan 0.000 0.507 496 N N -0.227 118.578 118.700 0.175 0.000 2.299 496 N HA 0.367 5.106 4.740 -0.001 0.000 0.187 496 N C 1.045 176.685 175.510 0.215 0.000 1.099 496 N CA 0.661 53.822 53.050 0.186 0.000 0.867 496 N CB 0.031 38.607 38.487 0.149 0.000 0.974 496 N HN 0.943 nan 8.380 nan 0.000 0.477 497 A N 1.037 123.959 122.820 0.169 0.000 2.520 497 A HA 0.424 4.743 4.320 -0.001 0.000 0.245 497 A C -0.451 177.299 177.584 0.278 0.000 1.072 497 A CA -0.203 51.916 52.037 0.135 0.000 0.761 497 A CB -0.598 18.467 19.000 0.108 0.000 1.004 497 A HN 0.477 nan 8.150 nan 0.000 0.499 498 F N 1.032 121.074 119.950 0.154 0.000 2.654 498 F HA 0.763 5.290 4.527 -0.001 0.000 0.308 498 F C -1.037 174.905 175.800 0.237 0.000 1.108 498 F CA -1.513 56.596 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 -0.444 120.026 120.300 0.282 0.000 2.829 499 Y HA 0.797 5.347 4.550 -0.001 0.000 0.322 499 Y C -1.414 174.596 175.900 0.183 0.000 1.357 499 Y CA -1.855 56.332 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 0.592 116.312 115.700 0.034 0.000 2.438 500 S HA 0.307 4.777 4.470 -0.001 0.000 0.316 500 S C -1.046 173.536 174.600 -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 3.912 124.012 120.200 -0.168 0.000 2.130 501 E HA 0.225 4.574 4.350 -0.001 0.000 0.284 501 E C -0.545 176.050 176.600 -0.008 0.000 1.018 501 E CA -0.416 55.995 56.400 0.020 0.000 0.817 501 E CB 0.537 30.235 29.700 -0.003 0.000 1.078 501 E HN 0.522 nan 8.360 nan 0.000 0.396 502 K N 3.489 123.896 120.400 0.013 0.000 2.240 502 K HA 0.230 4.549 4.320 -0.001 0.000 0.271 502 K C -1.206 175.384 176.600 -0.017 0.000 1.018 502 K CA -0.377 55.885 56.287 -0.042 0.000 0.874 502 K CB 1.177 33.621 32.500 -0.093 0.000 1.098 502 K HN 0.352 nan 8.250 nan 0.000 0.458 503 T N 3.496 118.035 114.554 -0.025 0.000 2.874 503 T HA 0.144 4.494 4.350 -0.001 0.000 0.321 503 T C -0.549 174.120 174.700 -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 4.479 119.044 114.554 0.018 0.000 2.851 504 T HA 0.302 4.651 4.350 -0.001 0.000 0.298 504 T C 0.094 174.886 174.700 0.155 0.000 0.977 504 T CA -0.249 61.878 62.100 0.046 0.000 1.126 504 T CB -0.095 68.894 68.868 0.202 0.000 0.916 504 T HN 0.255 nan 8.240 nan 0.000 0.529 505 F N 3.009 123.090 119.950 0.217 0.000 2.472 505 F HA 0.312 4.839 4.527 -0.001 0.000 0.364 505 F C 1.445 177.318 175.800 0.122 0.000 1.090 505 F CA -1.093 57.002 58.000 0.157 0.000 1.188 505 F CB 0.435 39.530 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 -0.001 0.000 0.202 506 K C 0.768 177.452 176.600 0.140 0.000 1.045 506 K CA 1.040 57.433 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 -2.592 112.034 114.554 0.121 0.000 2.942 507 T HA 0.241 4.591 4.350 -0.001 0.000 0.289 507 T C 1.326 176.053 174.700 0.045 0.000 1.044 507 T CA -0.935 61.210 62.100 0.075 0.000 1.023 507 T CB 1.746 70.645 68.868 0.051 0.000 1.123 507 T HN -0.208 nan 8.240 nan 0.000 0.512 508 V N 1.316 121.243 119.914 0.022 0.000 2.278 508 V HA -0.216 3.903 4.120 -0.001 0.000 0.251 508 V C 2.864 178.901 176.094 -0.095 0.000 1.062 508 V CA 2.472 64.759 62.300 -0.022 0.000 1.038 508 V CB -0.941 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 -0.141 120.219 120.400 -0.067 0.000 2.113 509 K HA -0.261 4.058 4.320 -0.001 0.000 0.208 509 K C 1.792 178.309 176.600 -0.138 0.000 1.047 509 K CA 2.014 58.244 56.287 -0.095 0.000 0.928 509 K CB -0.276 32.199 32.500 -0.042 0.000 0.716 509 K HN 0.534 nan 8.250 nan 0.000 0.446 510 D N -0.063 120.276 120.400 -0.101 0.000 2.218 510 D HA -0.125 4.515 4.640 -0.001 0.000 0.204 510 D C 1.919 177.906 176.300 -0.522 0.000 0.976 510 D CA 1.509 55.446 54.000 -0.105 0.000 0.853 510 D CB -0.060 40.811 40.800 0.118 0.000 0.939 510 D HN 0.373 nan 8.370 nan 0.000 0.481 511 S N 0.223 115.450 115.700 -0.789 0.000 2.461 511 S HA -0.033 4.436 4.470 -0.001 0.000 0.228 511 S C 1.307 175.448 174.600 -0.765 0.000 1.005 511 S CA -0.109 57.210 58.200 -1.469 0.000 0.942 511 S CB -0.504 62.213 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 4.565 4.340 -0.001 0.000 0.281 512 L C 0.315 177.067 176.870 -0.197 0.000 1.212 512 L CA -0.153 54.372 54.840 -0.526 0.000 1.082 512 L CB -1.136 40.429 42.059 -0.824 0.000 1.362 512 L HN 0.415 nan 8.230 nan 0.000 0.451 513 T N -1.163 113.420 114.554 0.048 0.000 2.906 513 T HA 0.546 4.895 4.350 -0.001 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 0.201 nan 8.240 nan 0.000 0.498 514 N N -0.038 118.947 118.700 0.476 0.000 2.402 514 N HA 0.357 5.096 4.740 -0.001 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 1.291 39.948 38.487 0.283 0.000 1.306 514 N HN 0.767 nan 8.380 nan 0.000 0.510 515 Y N 0.961 121.607 120.300 0.577 0.000 2.497 515 Y HA 0.060 4.609 4.550 -0.001 0.000 0.334 515 Y C -0.277 175.748 175.900 0.208 0.000 1.199 515 Y CA 0.467 58.844 58.100 0.462 0.000 1.425 515 Y CB 0.532 39.281 38.460 0.482 0.000 1.291 515 Y HN 0.292 nan 8.280 nan 0.000 0.562 516 E N 3.522 123.184 120.200 -0.896 0.000 2.244 516 E HA 0.138 4.487 4.350 -0.001 0.000 0.260 516 E C 0.395 176.482 176.600 -0.855 0.000 0.884 516 E CA -0.005 56.019 56.400 -0.628 0.000 0.777 516 E CB 1.644 31.160 29.700 -0.306 0.000 1.197 516 E HN 0.789 nan 8.360 nan 0.000 0.416 517 S N 1.682 117.054 115.700 -0.548 0.000 2.402 517 S HA -0.140 4.329 4.470 -0.001 0.000 0.229 517 S C 1.860 176.361 174.600 -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 1.852 124.578 122.820 -0.157 0.000 2.076 518 A HA -0.020 4.300 4.320 -0.001 0.000 0.220 518 A C 2.265 179.770 177.584 -0.132 0.000 1.160 518 A CA 1.842 53.811 52.037 -0.113 0.000 0.653 518 A CB -0.986 17.960 19.000 -0.089 0.000 0.801 518 A HN 0.812 nan 8.150 nan 0.000 0.455 519 T N -5.588 108.860 114.554 -0.178 0.000 3.091 519 T HA 0.434 4.784 4.350 -0.001 0.000 0.277 519 T C 1.072 175.671 174.700 -0.169 0.000 0.996 519 T CA 0.895 62.892 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 1.640 nan 8.240 nan 0.000 0.534 520 G N 2.809 111.515 108.800 -0.156 0.000 2.356 520 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.296 520 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.296 520 G C 0.037 174.919 174.900 -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 -0.001 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 3.602 119.089 115.700 -0.355 0.000 2.697 522 S HA 0.609 5.079 4.470 -0.001 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 0.510 121.907 121.300 0.163 0.000 2.819 523 W HA 0.449 5.108 4.660 -0.001 0.000 0.337 523 W C -1.367 175.236 176.519 0.140 0.000 1.077 523 W CA -0.430 57.042 57.345 0.211 0.000 1.226 523 W CB 2.157 31.869 29.460 0.421 0.000 1.419 523 W HN 0.632 nan 8.180 nan 0.000 0.502 524 D N 1.984 122.600 120.400 0.361 0.000 2.248 524 D HA 0.538 5.177 4.640 -0.001 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 3.077 123.848 120.570 0.335 0.000 2.411 525 I HA 0.350 4.520 4.170 -0.001 0.000 0.284 525 I C -0.756 175.580 176.117 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 3.501 123.529 119.950 0.130 0.000 2.664 526 F HA 0.537 5.063 4.527 -0.001 0.000 0.329 526 F C -0.720 175.138 175.800 0.098 0.000 1.090 526 F CA -1.515 56.556 58.000 0.118 0.000 0.978 526 F CB 1.313 40.365 39.000 0.087 0.000 1.378 526 F HN 0.254 nan 8.300 nan 0.000 0.495 527 N N 2.173 121.003 118.700 0.216 0.000 2.621 527 N HA 0.361 5.100 4.740 -0.001 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 1.261 39.796 38.487 0.080 0.000 1.122 527 N HN 0.394 nan 8.380 nan 0.000 0.510 528 P HA -0.077 nan 4.420 nan 0.000 0.234 528 P C -0.115 177.246 177.300 0.103 0.000 1.167 528 P CA 0.825 64.049 63.100 0.206 0.000 0.763 528 P CB 0.309 32.100 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 -0.001 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 38.956 38.487 0.009 0.000 0.969 529 N HN 0.368 nan 8.380 nan 0.000 0.459 530 K N 0.301 120.717 120.400 0.027 0.000 2.400 530 K HA 0.646 4.965 4.320 -0.001 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 35.465 32.500 -0.034 0.000 1.293 530 K HN -0.320 nan 8.250 nan 0.000 0.445 531 V N 0.887 120.784 119.914 -0.027 0.000 2.841 531 V HA 0.227 4.347 4.120 -0.001 0.000 0.310 531 V C -0.698 175.364 176.094 -0.052 0.000 1.090 531 V CA -1.171 61.111 62.300 -0.030 0.000 0.930 531 V CB 1.920 33.730 31.823 -0.022 0.000 1.014 531 V HN 0.760 nan 8.190 nan 0.000 0.425 532 N N 5.481 124.158 118.700 -0.039 0.000 2.442 532 N HA 0.183 4.923 4.740 -0.001 0.000 0.265 532 N C -1.388 174.101 175.510 -0.036 0.000 1.138 532 N CA -1.413 51.611 53.050 -0.043 0.000 0.956 532 N CB 2.095 40.608 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 1.325 64.383 63.100 -0.071 0.000 0.795 533 P CB 0.183 31.770 31.700 -0.187 0.000 0.775 534 Y N 0.991 121.299 120.300 0.013 0.000 2.239 534 Y HA -0.009 4.541 4.550 -0.001 0.000 0.293 534 Y C 2.973 178.889 175.900 0.026 0.000 1.126 534 Y CA 0.954 59.064 58.100 0.017 0.000 1.128 534 Y CB -1.422 37.051 38.460 0.022 0.000 1.066 534 Y HN 0.055 nan 8.280 nan 0.000 0.516 535 S N -0.911 114.933 115.700 0.240 0.000 2.461 535 S HA 0.142 4.611 4.470 -0.001 0.000 0.228 535 S C 1.903 176.534 174.600 0.052 0.000 1.005 535 S CA 0.797 59.095 58.200 0.164 0.000 0.942 535 S CB -0.509 62.877 63.200 0.311 0.000 0.776 535 S HN 0.672 nan 8.310 nan 0.000 0.514 536 G N 0.983 109.803 108.800 0.033 0.000 2.148 536 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.254 536 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.254 536 G C -0.063 174.790 174.900 -0.078 0.000 0.981 536 G CA 0.394 45.484 45.100 -0.016 0.000 0.670 536 G HN 0.527 nan 8.290 nan 0.000 0.528 537 K N 0.733 121.045 120.400 -0.146 0.000 2.118 537 K HA 0.550 4.870 4.320 -0.001 0.000 0.254 537 K C -2.333 174.171 176.600 -0.160 0.000 0.961 537 K CA -2.241 53.879 56.287 -0.278 0.000 0.876 537 K CB 1.885 33.942 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 -2.489 174.854 177.300 0.071 0.000 1.223 538 P CA -1.253 61.859 63.100 0.020 0.000 0.784 538 P CB -0.196 31.595 31.700 0.153 0.000 0.923 539 P HA 0.053 nan 4.420 nan 0.000 0.271 539 P C -0.280 177.203 177.300 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 1.645 117.562 115.700 0.361 0.000 2.611 540 S HA 0.548 5.018 4.470 -0.001 0.000 0.268 540 S C -1.866 172.870 174.600 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 0.970 121.316 120.300 0.078 0.000 2.350 541 Y HA 0.614 5.164 4.550 -0.001 0.000 0.338 541 Y C 0.061 176.000 175.900 0.065 0.000 0.961 541 Y CA -0.519 57.584 58.100 0.006 0.000 1.100 541 Y CB 1.964 40.399 38.460 -0.043 0.000 1.179 541 Y HN 0.859 nan 8.280 nan 0.000 0.454 542 K N 4.374 124.808 120.400 0.057 0.000 2.213 542 K HA 0.463 4.783 4.320 -0.001 0.000 0.270 542 K C -1.390 175.261 176.600 0.085 0.000 1.002 542 K CA -0.898 55.443 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 5.739 127.030 121.223 0.112 0.000 2.315 543 L HA 0.252 4.592 4.340 -0.001 0.000 0.283 543 L C -1.347 175.615 176.870 0.153 0.000 1.089 543 L CA -0.007 54.874 54.840 0.068 0.000 0.833 543 L CB 1.145 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 5.025 124.979 119.914 0.067 0.000 2.313 544 V HA 0.573 4.692 4.120 -0.001 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 2.847 118.590 115.700 0.073 0.000 2.668 545 S HA 0.469 4.939 4.470 -0.001 0.000 0.277 545 S C 0.550 175.077 174.600 -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 -0.001 0.000 0.254 546 T C 0.380 174.953 174.700 -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 68.520 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 -0.001 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 -0.295 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 2.741 122.150 119.300 0.182 0.000 2.621 548 C HA 0.375 4.834 4.460 -0.001 0.000 0.272 548 C C -2.099 173.026 174.990 0.225 0.000 1.119 548 C CA -1.930 57.236 59.018 0.247 0.000 1.593 548 C CB -0.565 27.400 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 -2.221 175.133 177.300 0.091 0.000 1.228 549 P CA -0.720 62.451 63.100 0.118 0.000 0.786 549 P CB 0.168 31.911 31.700 0.072 0.000 0.927 550 P HA 0.156 nan 4.420 nan 0.000 0.276 550 P C -0.811 176.477 177.300 -0.020 0.000 1.244 550 P CA -0.468 62.652 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 2.649 123.828 121.223 -0.074 0.000 2.369 551 L HA 0.069 4.409 4.340 -0.001 0.000 0.279 551 L C 1.177 177.991 176.870 -0.093 0.000 1.108 551 L CA 0.315 55.084 54.840 -0.118 0.000 0.852 551 L CB -0.551 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 4.452 4.340 -0.001 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 41.546 42.059 -0.021 0.000 0.927 552 L HN 0.827 nan 8.230 nan 0.000 0.446 553 A N 0.752 123.505 122.820 -0.112 0.000 2.498 553 A HA 0.156 4.475 4.320 -0.001 0.000 0.239 553 A C 0.267 177.773 177.584 -0.129 0.000 1.068 553 A CA -0.093 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 0.155 nan 8.150 nan 0.000 0.497 554 K N 1.195 121.525 120.400 -0.118 0.000 2.180 554 K HA 0.159 4.478 4.320 -0.001 0.000 0.251 554 K C 0.074 176.599 176.600 -0.124 0.000 1.014 554 K CA 0.018 56.242 56.287 -0.105 0.000 0.913 554 K CB 0.426 32.874 32.500 -0.087 0.000 1.008 554 K HN 0.778 nan 8.250 nan 0.000 0.490 555 E N 0.032 120.167 120.200 -0.109 0.000 2.414 555 E HA -0.000 4.349 4.350 -0.001 0.000 0.263 555 E C 0.775 177.306 176.600 -0.116 0.000 1.000 555 E CA 0.756 57.088 56.400 -0.114 0.000 0.914 555 E CB 0.405 30.051 29.700 -0.089 0.000 0.948 555 E HN 0.814 nan 8.360 nan 0.000 0.444 556 G N 2.563 111.282 108.800 -0.136 0.000 2.199 556 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.254 556 G HA3 -0.341 3.619 3.960 -0.001 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 -0.191 115.404 115.700 -0.174 0.000 2.600 557 S HA 0.617 5.087 4.470 -0.001 0.000 0.265 557 S C 1.608 176.057 174.600 -0.252 0.000 1.325 557 S CA -0.023 58.062 58.200 -0.192 0.000 1.002 557 S CB 1.550 64.636 63.200 -0.191 0.000 0.921 557 S HN 0.483 nan 8.310 nan 0.000 0.554 558 L N 1.268 122.330 121.223 -0.268 0.000 2.012 558 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 558 L C 2.551 179.157 176.870 -0.440 0.000 1.073 558 L CA 1.424 56.059 54.840 -0.340 0.000 0.748 558 L CB -0.589 41.293 42.059 -0.295 0.000 0.891 558 L HN 0.705 nan 8.230 nan 0.000 0.431 559 V N -0.106 119.524 119.914 -0.474 0.000 2.255 559 V HA -0.331 3.789 4.120 -0.001 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 -0.625 122.007 122.820 -0.313 0.000 1.969 560 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 560 A C 2.272 179.674 177.584 -0.303 0.000 1.169 560 A CA 1.680 53.538 52.037 -0.298 0.000 0.635 560 A CB -0.349 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 -0.633 119.568 120.400 -0.331 0.000 2.116 561 K HA -0.022 4.297 4.320 -0.001 0.000 0.203 561 K C 2.015 178.322 176.600 -0.489 0.000 1.052 561 K CA 1.039 57.095 56.287 -0.384 0.000 0.952 561 K CB -0.108 32.127 32.500 -0.440 0.000 0.729 561 K HN 0.386 nan 8.250 nan 0.000 0.446 562 R N 0.275 120.499 120.500 -0.459 0.000 2.240 562 R HA 0.079 4.419 4.340 -0.001 0.000 0.203 562 R C 0.617 176.898 176.300 -0.031 0.000 1.011 562 R CA 0.500 56.399 56.100 -0.335 0.000 1.007 562 R CB 0.350 30.545 30.300 -0.175 0.000 0.911 562 R HN -0.006 nan 8.270 nan 0.000 0.468 563 A N 1.555 124.233 122.820 -0.237 0.000 3.248 563 A HA 0.282 4.601 4.320 -0.001 0.000 0.315 563 A C -1.973 175.205 177.584 -0.676 0.000 0.974 563 A CA -1.191 50.530 52.037 -0.526 0.000 0.939 563 A CB 0.516 19.043 19.000 -0.789 0.000 1.061 563 A HN -0.070 nan 8.150 nan 0.000 0.481 564 P HA -0.178 nan 4.420 nan 0.000 0.221 564 P C 1.337 178.545 177.300 -0.153 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 0.033 121.291 121.300 -0.070 0.000 2.467 565 W HA 0.258 4.917 4.660 -0.001 0.000 0.275 565 W C 1.562 178.086 176.519 0.008 0.000 1.239 565 W CA 0.569 57.887 57.345 -0.044 0.000 1.266 565 W CB -1.662 27.754 29.460 -0.073 0.000 1.112 565 W HN -0.085 nan 8.180 nan 0.000 0.576 566 A N 1.150 123.544 122.820 -0.710 0.000 2.168 566 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 566 A C 2.045 179.469 177.584 -0.268 0.000 1.152 566 A CA 1.382 53.071 52.037 -0.581 0.000 0.716 566 A CB -0.732 17.623 19.000 -1.074 0.000 0.794 566 A HN 0.218 nan 8.150 nan 0.000 0.465 567 S N -0.638 114.921 115.700 -0.234 0.000 2.481 567 S HA 0.015 4.485 4.470 -0.001 0.000 0.231 567 S C 0.126 174.467 174.600 -0.431 0.000 0.996 567 S CA 0.620 58.645 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 -1.370 117.703 119.070 0.006 0.000 2.851 568 H HA 0.409 4.964 4.556 -0.001 0.000 0.372 568 H C 0.633 176.019 175.328 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 0.616 116.471 115.700 0.258 0.000 2.402 569 S HA 0.007 4.476 4.470 -0.001 0.000 0.229 569 S C 0.474 175.143 174.600 0.114 0.000 1.021 569 S CA 0.680 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 2.567 122.489 119.914 0.014 0.000 2.638 570 V HA 0.428 4.548 4.120 -0.001 0.000 0.306 570 V C -1.055 174.919 176.094 -0.201 0.000 1.052 570 V CA -0.947 61.198 62.300 -0.259 0.000 0.885 570 V CB 2.039 33.448 31.823 -0.689 0.000 0.999 570 V HN 0.246 nan 8.190 nan 0.000 0.424 571 N N 3.164 121.737 118.700 -0.212 0.000 2.410 571 N HA 0.570 5.309 4.740 -0.001 0.000 0.287 571 N C -1.453 173.987 175.510 -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 41.263 38.487 0.049 0.000 1.405 571 N HN 0.346 nan 8.380 nan 0.000 0.490 572 V N 2.174 122.014 119.914 -0.123 0.000 2.444 572 V HA 0.503 4.622 4.120 -0.001 0.000 0.294 572 V C 0.225 176.364 176.094 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 -0.001 0.000 0.314 573 V C -2.922 173.227 176.094 0.091 0.000 1.117 573 V CA -3.077 59.292 62.300 0.115 0.000 1.014 573 V CB 2.195 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 0.194 nan 4.420 nan 0.000 0.269 574 P C -1.235 176.062 177.300 -0.004 0.000 1.209 574 P CA 0.184 63.311 63.100 0.046 0.000 0.776 574 P CB 0.069 31.785 31.700 0.028 0.000 0.876 575 Y N 3.062 123.330 120.300 -0.053 0.000 2.397 575 Y HA 0.352 4.901 4.550 -0.001 0.000 0.335 575 Y C 0.062 175.890 175.900 -0.120 0.000 1.213 575 Y CA 0.628 58.669 58.100 -0.097 0.000 1.391 575 Y CB 0.592 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 3.701 123.391 120.400 -1.183 0.000 2.546 576 K HA 0.250 4.570 4.320 -0.001 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 -0.001 0.000 0.241 577 D C -0.018 176.090 176.300 -0.321 0.000 1.133 577 D CA 0.703 54.526 54.000 -0.293 0.000 0.890 577 D CB 0.457 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 1.128 119.666 118.700 -0.270 0.000 2.776 578 N HA -0.225 4.514 4.740 -0.001 0.000 0.250 578 N C -0.393 174.911 175.510 -0.345 0.000 1.112 578 N CA 0.489 53.377 53.050 -0.270 0.000 0.733 578 N CB -0.880 37.489 38.487 -0.197 0.000 1.097 578 N HN 0.456 nan 8.380 nan 0.000 0.558 579 R N 0.834 121.022 120.500 -0.520 0.000 3.171 579 R HA 0.333 4.672 4.340 -0.001 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 0.576 121.545 121.223 -0.424 0.000 2.347 580 L HA 0.180 4.520 4.340 -0.001 0.000 0.196 580 L C -0.094 176.579 176.870 -0.328 0.000 1.072 580 L CA 0.471 54.969 54.840 -0.569 0.000 0.817 580 L CB 0.103 41.412 42.059 -1.249 0.000 1.029 580 L HN 0.322 nan 8.230 nan 0.000 0.478 581 Y N 1.330 121.772 120.300 0.237 0.000 2.434 581 Y HA 0.245 4.794 4.550 -0.001 0.000 0.341 581 Y C -1.520 174.418 175.900 0.064 0.000 0.965 581 Y CA -3.415 54.759 58.100 0.123 0.000 1.205 581 Y CB -0.193 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 -0.985 114.716 115.700 0.001 0.000 2.575 583 S HA 0.485 4.954 4.470 -0.001 0.000 0.237 583 S C 0.781 175.289 174.600 -0.152 0.000 0.975 583 S CA 0.271 58.551 58.200 0.134 0.000 0.960 583 S CB 0.009 63.428 63.200 0.365 0.000 0.822 583 S HN 0.528 nan 8.310 nan 0.000 0.472 584 G N 1.385 110.031 108.800 -0.258 0.000 2.663 584 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.686 584 G HA3 -0.143 3.817 3.960 -0.001 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 -0.113 120.164 120.400 -0.205 0.000 2.194 585 D HA 0.039 4.679 4.640 -0.001 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 -0.391 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 -0.055 0.000 2.786 586 H HA 0.243 4.798 4.556 -0.001 0.000 0.284 586 H C 1.028 176.335 175.328 -0.035 0.000 1.104 586 H CA -0.300 55.732 56.048 -0.028 0.000 1.339 586 H CB 1.475 31.233 29.762 -0.007 0.000 1.427 586 H HN -0.208 nan 8.280 nan 0.000 0.497 587 V N 3.646 123.593 119.914 0.053 0.000 2.346 587 V HA -0.040 4.079 4.120 -0.001 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 0.458 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 0.932 64.092 63.100 0.100 0.000 0.760 588 P CB -0.005 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 4.103 4.340 -0.001 0.000 0.220 589 Q C -0.251 176.025 176.000 0.461 0.000 0.713 589 Q CA 0.548 56.556 55.803 0.341 0.000 1.345 589 Q CB -1.735 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 1.778 123.166 121.300 0.147 0.000 2.253 590 W HA 0.286 4.946 4.660 -0.001 0.000 0.322 590 W C 1.245 177.668 176.519 -0.160 0.000 1.342 590 W CA 0.065 57.431 57.345 0.035 0.000 1.218 590 W CB 0.554 30.015 29.460 0.002 0.000 1.205 590 W HN 0.116 nan 8.180 nan 0.000 0.551 591 S N 3.529 118.809 115.700 -0.700 0.000 2.481 591 S HA 0.106 4.576 4.470 -0.001 0.000 0.231 591 S C 1.582 175.371 174.600 -1.352 0.000 0.996 591 S CA 0.852 58.197 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 0.616 108.111 108.800 -2.174 0.000 2.176 592 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.232 592 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.232 592 G C -0.462 173.766 174.900 -1.120 0.000 0.986 592 G CA 0.073 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 1.160 121.151 120.400 -0.681 0.000 2.225 593 D HA 0.558 5.198 4.640 -0.001 0.000 0.248 593 D C 0.724 177.157 176.300 0.222 0.000 1.096 593 D CA 1.447 55.352 54.000 -0.159 0.000 0.863 593 D CB 1.337 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 0.182 109.097 108.800 0.190 0.000 2.428 594 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.681 594 G HA3 -0.081 3.879 3.960 -0.001 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 0.624 4.743 4.120 -0.001 0.000 0.255 595 V C 0.814 176.859 176.094 -0.081 0.000 1.100 595 V CA 0.615 62.912 62.300 -0.004 0.000 0.938 595 V CB -0.332 31.486 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 5.171 4.340 -0.001 0.000 0.269 596 R C 0.466 176.461 176.300 -0.509 0.000 1.025 596 R CA -0.142 55.759 56.100 -0.332 0.000 0.914 596 R CB 1.159 31.172 30.300 -0.478 0.000 1.236 596 R HN 0.766 nan 8.270 nan 0.000 0.465 597 G N 1.172 109.568 108.800 -0.673 0.000 2.594 597 G HA2 -0.435 3.525 3.960 -0.001 0.000 0.297 597 G HA3 -0.435 3.525 3.960 -0.001 0.000 0.297 597 G C 0.570 174.355 174.900 -1.859 0.000 1.273 597 G CA 0.874 45.286 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 -1.436 0.000 2.144 598 M HA -0.042 4.438 4.480 -0.001 0.000 0.260 598 M C 2.420 178.433 176.300 -0.479 0.000 1.067 598 M CA 2.853 57.601 55.300 -0.921 0.000 1.095 598 M CB -0.571 31.802 32.600 -0.379 0.000 1.365 598 M HN 0.630 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 4.145 4.340 -0.001 0.000 0.235 599 R C 2.239 178.441 176.300 -0.164 0.000 1.127 599 R CA 1.953 57.951 56.100 -0.170 0.000 0.968 599 R CB -0.365 29.893 30.300 -0.070 0.000 0.861 599 R HN 0.686 nan 8.270 nan 0.000 0.440 600 E N -0.489 119.546 120.200 -0.274 0.000 2.072 600 E HA -0.175 4.175 4.350 -0.001 0.000 0.190 600 E C 1.400 178.017 176.600 0.028 0.000 0.982 600 E CA 1.064 57.384 56.400 -0.134 0.000 0.803 600 E CB -0.086 29.525 29.700 -0.149 0.000 0.755 600 E HN 0.404 nan 8.360 nan 0.000 0.453 601 W N 0.724 121.972 121.300 -0.086 0.000 2.363 601 W HA -0.051 4.608 4.660 -0.001 0.000 0.296 601 W C 2.093 178.572 176.519 -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 -0.001 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 -0.431 3.528 3.960 -0.001 0.000 0.309 603 G HA3 -0.431 3.528 3.960 -0.001 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 0.534 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 5.026 4.640 -0.001 0.000 0.221 604 D C 1.805 178.106 176.300 0.002 0.000 1.072 604 D CA 1.110 55.112 54.000 0.005 0.000 0.850 604 D CB -0.426 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 3.588 3.960 -0.001 0.000 0.263 605 G HA3 -0.372 3.588 3.960 -0.001 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 4.765 4.470 -0.001 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 0.327 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 2.498 122.716 120.200 0.031 0.000 2.392 607 E HA 0.144 4.494 4.350 -0.001 0.000 0.264 607 E C -0.250 176.377 176.600 0.046 0.000 1.024 607 E CA -0.360 56.062 56.400 0.037 0.000 0.903 607 E CB 0.248 29.970 29.700 0.037 0.000 0.963 607 E HN 0.427 nan 8.360 nan 0.000 0.432 608 N N 2.613 121.341 118.700 0.048 0.000 2.492 608 N HA 0.013 4.753 4.740 -0.001 0.000 0.262 608 N C 0.017 175.567 175.510 0.067 0.000 1.202 608 N CA 0.229 53.313 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 -1.884 118.738 120.570 0.086 0.000 4.026 609 I HA 0.410 4.580 4.170 -0.001 0.000 0.324 609 I C -0.496 175.677 176.117 0.093 0.000 1.474 609 I CA -0.543 60.817 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 2.481 122.925 120.400 0.074 0.000 2.280 610 D HA 0.211 4.850 4.640 -0.001 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 41.475 40.800 0.076 0.000 1.100 610 D HN 0.248 nan 8.370 nan 0.000 0.486 611 N N 2.508 121.176 118.700 -0.053 0.000 2.648 611 N HA -0.218 4.521 4.740 -0.001 0.000 0.265 611 N C -1.406 174.094 175.510 -0.018 0.000 1.100 611 N CA 1.318 54.338 53.050 -0.050 0.000 0.715 611 N CB -0.960 37.515 38.487 -0.020 0.000 0.881 611 N HN 0.556 nan 8.380 nan 0.000 0.548 612 T N -0.655 113.891 114.554 -0.014 0.000 2.649 612 T HA 0.294 4.643 4.350 -0.001 0.000 0.305 612 T C -1.945 172.761 174.700 0.009 0.000 1.409 612 T CA -0.548 61.556 62.100 0.005 0.000 1.021 612 T CB 0.622 69.505 68.868 0.026 0.000 1.726 612 T HN 0.063 nan 8.240 nan 0.000 0.475 613 D N 2.391 122.806 120.400 0.025 0.000 2.316 613 D HA 0.476 5.116 4.640 -0.001 0.000 0.245 613 D C 0.211 176.575 176.300 0.107 0.000 1.171 613 D CA 0.010 54.026 54.000 0.028 0.000 0.856 613 D CB 0.459 41.255 40.800 -0.006 0.000 1.090 613 D HN 0.633 nan 8.370 nan 0.000 0.476 614 I N -1.748 118.887 120.570 0.108 0.000 3.067 614 I HA 0.608 4.777 4.170 -0.001 0.000 0.312 614 I C -1.110 175.113 176.117 0.177 0.000 1.073 614 I CA -1.144 60.245 61.300 0.149 0.000 1.016 614 I CB 1.959 40.047 38.000 0.148 0.000 1.227 614 I HN 0.012 nan 8.210 nan 0.000 0.456 615 L N 2.672 124.004 121.223 0.181 0.000 2.409 615 L HA 0.473 4.812 4.340 -0.001 0.000 0.272 615 L C -1.508 175.496 176.870 0.223 0.000 0.980 615 L CA -0.444 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 3.832 123.744 119.950 -0.062 0.000 2.375 616 F HA 0.525 5.051 4.527 -0.001 0.000 0.361 616 F C -0.976 174.744 175.800 -0.133 0.000 1.117 616 F CA -0.638 57.362 58.000 -0.000 0.000 1.037 616 F CB 0.686 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 5.333 125.318 119.950 0.057 0.000 2.388 617 F HA 0.278 4.805 4.527 -0.001 0.000 0.358 617 F C -0.224 175.651 175.800 0.125 0.000 1.122 617 F CA -0.656 57.419 58.000 0.124 0.000 1.056 617 F CB 0.744 39.809 39.000 0.108 0.000 1.155 617 F HN 0.426 nan 8.300 nan 0.000 0.461 618 H N 1.610 120.845 119.070 0.275 0.000 2.481 618 H HA 0.457 5.012 4.556 -0.001 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 7.507 122.056 114.554 -0.009 0.000 2.744 619 T HA 0.415 4.765 4.350 -0.001 0.000 0.291 619 T C -0.861 173.776 174.700 -0.104 0.000 0.957 619 T CA -0.295 61.875 62.100 0.117 0.000 1.002 619 T CB -0.323 68.703 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 5.486 4.527 -0.001 0.000 0.318 620 F C 0.126 176.067 175.800 0.234 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 0.299 109.188 108.800 0.149 0.000 2.373 621 G HA2 0.430 4.390 3.960 -0.001 0.000 0.250 621 G HA3 0.430 4.390 3.960 -0.001 0.000 0.250 621 G C -1.956 173.053 174.900 0.183 0.000 1.304 621 G CA -0.313 44.893 45.100 0.177 0.000 0.948 621 G HN 1.578 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 -0.001 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 1.159 115.698 114.554 -0.025 0.000 2.770 623 T HA 0.334 4.683 4.350 -0.001 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 0.134 68.915 68.868 -0.146 0.000 0.930 623 T HN 0.620 nan 8.240 nan 0.000 0.443 624 H N 2.872 121.584 119.070 -0.596 0.000 2.541 624 H HA 0.431 4.987 4.556 -0.001 0.000 0.316 624 H C -1.171 173.745 175.328 -0.688 0.000 1.043 624 H CA -1.084 54.630 56.048 -0.557 0.000 1.232 624 H CB 0.350 29.744 29.762 -0.613 0.000 1.406 624 H HN 0.429 nan 8.280 nan 0.000 0.469 625 F N 6.731 126.799 119.950 0.196 0.000 2.311 625 F HA 0.280 4.806 4.527 -0.001 0.000 0.371 625 F C -1.989 173.903 175.800 0.153 0.000 1.083 625 F CA -2.492 55.559 58.000 0.086 0.000 1.113 625 F CB 0.857 39.899 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 -0.683 176.722 177.300 0.176 0.000 1.186 626 P CA 0.101 63.268 63.100 0.112 0.000 0.767 626 P CB 0.768 32.461 31.700 -0.011 0.000 0.820 627 A N 4.061 126.994 122.820 0.188 0.000 2.515 627 A HA 0.606 4.926 4.320 -0.001 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 0.761 178.167 177.300 0.176 0.000 1.148 628 P CA 1.522 64.714 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 -0.634 119.645 120.200 0.133 0.000 2.209 629 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 629 E C 1.321 177.991 176.600 0.117 0.000 0.993 629 E CA 1.066 57.530 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 -0.923 119.577 120.400 0.168 0.000 2.363 630 D HA -0.024 4.616 4.640 -0.001 0.000 0.220 630 D C -0.209 176.227 176.300 0.226 0.000 0.994 630 D CA 0.412 54.522 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 -0.001 0.000 0.325 631 F C -1.682 174.134 175.800 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 1.127 32.272 31.700 -0.924 0.000 0.994 633 L N 0.308 121.313 121.223 -0.363 0.000 2.410 633 L HA 0.506 4.845 4.340 -0.001 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 6.207 125.702 119.600 -0.176 0.000 2.188 634 M HA 0.472 4.951 4.480 -0.001 0.000 0.357 634 M C -2.377 173.855 176.300 -0.113 0.000 1.204 634 M CA -1.432 53.819 55.300 -0.082 0.000 1.095 634 M CB 1.674 34.265 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 4.317 4.320 -0.001 0.000 0.245 636 A C 0.370 177.892 177.584 -0.104 0.000 1.056 636 A CA 0.421 52.396 52.037 -0.103 0.000 0.757 636 A CB -0.553 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 3.645 123.767 120.200 -0.130 0.000 2.151 637 E HA 0.415 4.765 4.350 -0.001 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 1.340 32.998 31.700 -0.069 0.000 0.984 639 I N 0.594 121.141 120.570 -0.039 0.000 2.722 639 I HA 0.521 4.690 4.170 -0.001 0.000 0.295 639 I C -0.147 175.950 176.117 -0.034 0.000 1.161 639 I CA -0.524 60.778 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 6.308 120.839 114.554 -0.040 0.000 2.885 640 T HA 0.691 5.040 4.350 -0.001 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 1.569 70.369 68.868 -0.113 0.000 1.287 640 T HN 0.596 nan 8.240 nan 0.000 0.491 641 L N 1.850 122.909 121.223 -0.273 0.000 2.469 641 L HA 0.862 5.201 4.340 -0.001 0.000 0.256 641 L C -1.726 175.018 176.870 -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 -0.001 0.000 0.289 642 M C -2.234 174.040 176.300 -0.042 0.000 1.206 642 M CA -0.557 54.688 55.300 -0.092 0.000 0.892 642 M CB 2.786 35.351 32.600 -0.057 0.000 1.712 642 M HN 0.697 nan 8.290 nan 0.000 0.462 643 L N 4.617 125.851 121.223 0.019 0.000 2.316 643 L HA 0.586 4.926 4.340 -0.001 0.000 0.280 643 L C -0.810 176.162 176.870 0.169 0.000 1.006 643 L CA -0.516 54.412 54.840 0.148 0.000 0.836 643 L CB 1.560 43.787 42.059 0.279 0.000 1.221 643 L HN 0.712 nan 8.230 nan 0.000 0.418 644 R N 4.208 124.704 120.500 -0.008 0.000 2.532 644 R HA 0.493 4.833 4.340 -0.001 0.000 0.295 644 R C -2.588 173.337 176.300 -0.625 0.000 0.968 644 R CA -1.906 54.071 56.100 -0.205 0.000 0.916 644 R CB 1.449 31.684 30.300 -0.108 0.000 1.124 644 R HN 0.265 nan 8.270 nan 0.000 0.463 645 P HA 0.151 nan 4.420 nan 0.000 0.282 645 P C -0.967 176.126 177.300 -0.345 0.000 1.262 645 P CA -0.320 62.167 63.100 -1.021 0.000 0.773 645 P CB 0.953 32.219 31.700 -0.724 0.000 0.879 646 R N 3.181 123.554 120.500 -0.211 0.000 2.483 646 R HA 0.275 4.614 4.340 -0.001 0.000 0.303 646 R C 0.516 176.812 176.300 -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 -0.061 0.000 1.177 646 R HN 0.658 nan 8.270 nan 0.000 0.451 647 H N 0.917 120.005 119.070 0.030 0.000 3.237 647 H HA -0.219 4.337 4.556 -0.001 0.000 0.231 647 H C 0.695 176.022 175.328 -0.000 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 0.163 4.689 4.527 -0.001 0.000 0.292 648 F C 0.992 176.522 175.800 -0.450 0.000 1.089 648 F CA 0.669 58.472 58.000 -0.329 0.000 1.295 648 F CB 0.223 38.894 39.000 -0.548 0.000 1.041 648 F HN -0.061 nan 8.300 nan 0.000 0.487 649 F N -0.347 119.655 119.950 0.086 0.000 2.457 649 F HA 0.259 4.786 4.527 -0.001 0.000 0.330 649 F C 1.669 177.442 175.800 -0.046 0.000 1.069 649 F CA -0.177 57.817 58.000 -0.010 0.000 1.009 649 F CB 0.622 39.630 39.000 0.013 0.000 1.276 649 F HN -0.225 nan 8.300 nan 0.000 0.492 650 T N -3.158 111.481 114.554 0.141 0.000 3.060 650 T HA 0.255 4.604 4.350 -0.001 0.000 0.249 650 T C -0.161 174.641 174.700 0.170 0.000 1.079 650 T CA 0.211 62.319 62.100 0.013 0.000 1.013 650 T CB -0.587 68.096 68.868 -0.309 0.000 0.975 650 T HN 0.728 nan 8.240 nan 0.000 0.518 651 E N 0.030 120.321 120.200 0.151 0.000 2.422 651 E HA 0.263 4.613 4.350 -0.001 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 -0.056 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 2.245 120.906 118.700 -0.065 0.000 2.332 652 N HA -0.020 4.720 4.740 -0.001 0.000 0.274 652 N C -1.277 174.131 175.510 -0.170 0.000 1.351 652 N CA -1.081 51.890 53.050 -0.133 0.000 0.875 652 N CB 0.643 39.011 38.487 -0.198 0.000 1.140 652 N HN 0.412 nan 8.380 nan 0.000 0.489 653 P HA 0.009 nan 4.420 nan 0.000 0.233 653 P C 0.769 177.982 177.300 -0.145 0.000 1.167 653 P CA 0.666 63.520 63.100 -0.411 0.000 0.770 653 P CB 0.089 31.101 31.700 -1.148 0.000 0.837 654 G N -0.232 108.556 108.800 -0.021 0.000 3.189 654 G HA2 0.066 4.026 3.960 -0.001 0.000 0.225 654 G HA3 0.066 4.026 3.960 -0.001 0.000 0.225 654 G C 1.304 176.362 174.900 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 1.043 122.330 121.223 0.107 0.000 2.362 655 L HA 0.002 4.342 4.340 -0.001 0.000 0.219 655 L C 1.836 178.778 176.870 0.120 0.000 1.134 655 L CA 0.971 55.857 54.840 0.077 0.000 0.807 655 L CB -0.063 41.952 42.059 -0.073 0.000 0.927 655 L HN 0.258 nan 8.230 nan 0.000 0.447 656 D N -0.301 120.167 120.400 0.115 0.000 2.325 656 D HA 0.048 4.688 4.640 -0.001 0.000 0.225 656 D C 0.613 176.957 176.300 0.074 0.000 1.096 656 D CA -0.020 54.038 54.000 0.098 0.000 0.844 656 D CB -0.131 40.755 40.800 0.143 0.000 0.925 656 D HN 0.207 nan 8.370 nan 0.000 0.513 657 I N 1.565 122.191 120.570 0.093 0.000 2.395 657 I HA 0.007 4.177 4.170 -0.001 0.000 0.289 657 I C 0.625 176.776 176.117 0.057 0.000 1.023 657 I CA -0.679 60.651 61.300 0.050 0.000 1.350 657 I CB 0.905 38.924 38.000 0.032 0.000 1.409 657 I HN -0.233 nan 8.210 nan 0.000 0.507 658 Q N 6.882 126.698 119.800 0.026 0.000 2.247 658 Q HA 0.102 4.442 4.340 -0.001 0.000 0.288 658 Q C -2.147 173.869 176.000 0.026 0.000 1.079 658 Q CA -1.121 54.697 55.803 0.025 0.000 0.932 658 Q CB -0.027 28.718 28.738 0.012 0.000 1.133 658 Q HN 0.308 nan 8.270 nan 0.000 0.377 659 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 0.761 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 4.448 4.470 -0.001 0.000 0.228 660 S C 0.068 174.762 174.600 0.157 0.000 1.020 660 S CA 1.082 59.326 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 -0.286 120.024 120.300 0.016 0.000 2.521 661 Y HA 0.560 5.109 4.550 -0.001 0.000 0.332 661 Y C -1.670 174.252 175.900 0.037 0.000 1.121 661 Y CA -1.104 57.009 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 -0.054 nan 8.280 nan 0.000 0.452 662 A N 6.530 128.885 122.820 -0.776 0.000 2.491 662 A HA 0.700 5.020 4.320 -0.001 0.000 0.293 662 A C -1.936 175.313 177.584 -0.558 0.000 1.047 662 A CA -0.463 51.295 52.037 -0.465 0.000 0.735 662 A CB 1.230 20.126 19.000 -0.174 0.000 1.281 662 A HN 0.861 nan 8.150 nan 0.000 0.398 663 M N 3.212 122.607 119.600 -0.341 0.000 2.224 663 M HA 0.506 4.986 4.480 -0.001 0.000 0.281 663 M C 0.066 176.333 176.300 -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 0.970 nan 8.290 nan 0.000 0.461 664 T N 0.529 115.055 114.554 -0.046 0.000 2.788 664 T HA 0.310 4.660 4.350 -0.001 0.000 0.280 664 T C 0.846 175.540 174.700 -0.010 0.000 0.984 664 T CA -0.192 61.896 62.100 -0.020 0.000 0.972 664 T CB 0.935 69.789 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 4.226 4.350 -0.001 0.000 0.267 665 T C 2.398 177.090 174.700 -0.014 0.000 1.039 665 T CA 1.806 63.896 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 1.893 117.585 115.700 -0.014 0.000 2.368 666 S HA -0.113 4.357 4.470 -0.001 0.000 0.224 666 S C 1.887 176.482 174.600 -0.008 0.000 1.029 666 S CA 1.030 59.223 58.200 -0.012 0.000 0.988 666 S CB -0.453 62.739 63.200 -0.013 0.000 0.838 666 S HN 0.591 nan 8.310 nan 0.000 0.462 667 E N 1.887 122.080 120.200 -0.011 0.000 2.106 667 E HA 0.000 4.350 4.350 -0.001 0.000 0.192 667 E C 2.439 179.041 176.600 0.003 0.000 0.984 667 E CA 0.923 57.317 56.400 -0.009 0.000 0.806 667 E CB -0.433 29.253 29.700 -0.023 0.000 0.750 667 E HN 0.710 nan 8.360 nan 0.000 0.458 668 A N 1.879 124.704 122.820 0.008 0.000 1.902 668 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 668 A C 1.968 179.565 177.584 0.021 0.000 1.181 668 A CA 1.466 53.517 52.037 0.023 0.000 0.623 668 A CB -0.287 18.727 19.000 0.022 0.000 0.818 668 A HN 0.044 nan 8.150 nan 0.000 0.443 669 K N -0.650 119.756 120.400 0.010 0.000 2.063 669 K HA -0.146 4.174 4.320 -0.001 0.000 0.208 669 K C 2.356 178.968 176.600 0.021 0.000 1.048 669 K CA 1.567 57.861 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 0.317 120.825 120.500 0.012 0.000 2.070 670 R HA -0.113 4.226 4.340 -0.001 0.000 0.233 670 R C 2.439 178.746 176.300 0.011 0.000 1.137 670 R CA 1.496 57.602 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 4.199 4.320 -0.001 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 -0.984 18.032 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 -0.001 0.000 0.260 672 V C 1.805 178.005 176.094 0.176 0.000 1.089 672 V CA 3.406 65.761 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 -2.550 116.522 119.070 0.004 0.000 1.907 673 H HA 0.129 4.685 4.556 -0.000 0.000 0.115 673 H C 0.335 175.663 175.328 0.001 0.000 1.288 673 H CA 0.409 56.458 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 1.307 121.804 120.400 0.163 0.000 3.409 674 K HA 0.087 4.407 4.320 -0.001 0.000 0.141 674 K C -0.723 175.912 176.600 0.059 0.000 0.943 674 K CA 0.280 56.616 56.287 0.082 0.000 0.969 674 K CB 1.794 34.342 32.500 0.080 0.000 0.637 674 K HN 0.493 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 -0.001 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