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 1of6_1_B DATA FIRST_RESID 19 DATA SEQUENCE AEEDVRILGY DPLASPALLQ VQIPATPTSL ETAKRGRREA IDIITGKDDR DATA SEQUENCE VLVIVGPCSI HDLEAAQEYA LRLKKLSDEL KGDLSIIMRA YLEKPRXXVG DATA SEQUENCE WKGLINDPDV NNTFNINKGL QSARQLFVNL TNIGLPIGSE MLDTISPQYL DATA SEQUENCE ADLVSFGAIG ARTTESQLHR ELASGLSFPV GFKNGTDGTL NVAVDACQAA DATA SEQUENCE AHSHHFMGVT KHGVAAITTT KGNEHCFVIL RGGKXGTNYD AKSVAEAKAQ DATA SEQUENCE LPAGSNGLMI DYSHGNSNKD FRNQPKVNDV VCEQIANGEN AITGVMIESN DATA SEQUENCE INEGNQGIPA EGKAXLKYGV SITDACIGWE TTEDVLRKLA AAVRQRREVN 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.589 177.584 0.008 0.000 1.274 19 A CA 0.000 52.041 52.037 0.006 0.000 0.836 19 A CB 0.000 19.004 19.000 0.007 0.000 0.831 20 E N 2.359 122.565 120.200 0.009 0.000 2.121 20 E HA 0.483 4.833 4.350 -0.000 0.000 0.255 20 E C -0.547 176.061 176.600 0.013 0.000 0.906 20 E CA -0.066 56.339 56.400 0.010 0.000 0.745 20 E CB 0.633 30.337 29.700 0.006 0.000 1.155 20 E HN 0.661 nan 8.360 nan 0.000 0.424 21 E N 2.596 122.807 120.200 0.019 0.000 2.392 21 E HA 0.183 4.533 4.350 -0.000 0.000 0.269 21 E C -0.855 175.763 176.600 0.030 0.000 0.924 21 E CA -0.871 55.545 56.400 0.026 0.000 0.784 21 E CB 1.373 31.095 29.700 0.036 0.000 1.292 21 E HN 0.399 nan 8.360 nan 0.000 0.447 22 D N 0.199 120.618 120.400 0.032 0.000 2.911 22 D HA -0.164 4.476 4.640 -0.000 0.000 0.227 22 D C 1.014 177.311 176.300 -0.004 0.000 1.164 22 D CA 1.110 55.122 54.000 0.021 0.000 0.782 22 D CB -1.610 39.232 40.800 0.070 0.000 1.094 22 D HN 0.317 nan 8.370 nan 0.000 0.425 23 V N -2.801 117.109 119.914 -0.006 0.000 2.970 23 V HA -0.043 4.077 4.120 -0.000 0.000 0.260 23 V C 1.650 177.728 176.094 -0.027 0.000 1.100 23 V CA 1.326 63.618 62.300 -0.013 0.000 1.122 23 V CB -0.103 31.716 31.823 -0.007 0.000 0.721 23 V HN 0.229 nan 8.190 nan 0.000 0.483 24 R N -0.004 120.473 120.500 -0.039 0.000 2.543 24 R HA 0.446 4.786 4.340 -0.000 0.000 0.323 24 R C -0.446 175.800 176.300 -0.091 0.000 1.002 24 R CA -0.316 55.751 56.100 -0.055 0.000 1.106 24 R CB 0.697 30.970 30.300 -0.045 0.000 1.280 24 R HN 0.355 nan 8.270 nan 0.000 0.549 25 I N 1.829 122.331 120.570 -0.112 0.000 2.321 25 I HA 0.105 4.274 4.170 -0.000 0.000 0.291 25 I C 1.314 177.330 176.117 -0.168 0.000 0.998 25 I CA -0.233 60.949 61.300 -0.197 0.000 1.227 25 I CB 1.549 39.381 38.000 -0.279 0.000 1.368 25 I HN 0.088 nan 8.210 nan 0.000 0.466 26 L N 5.250 126.370 121.223 -0.173 0.000 2.270 26 L HA 0.245 4.585 4.340 -0.000 0.000 0.210 26 L C 1.029 177.828 176.870 -0.119 0.000 1.104 26 L CA 0.353 55.119 54.840 -0.122 0.000 0.804 26 L CB -0.052 41.938 42.059 -0.114 0.000 0.937 26 L HN 0.812 nan 8.230 nan 0.000 0.450 27 G N -1.927 106.755 108.800 -0.197 0.000 2.355 27 G HA2 0.315 4.275 3.960 -0.000 0.000 0.296 27 G HA3 0.315 4.275 3.960 -0.000 0.000 0.296 27 G C -2.037 172.728 174.900 -0.225 0.000 1.507 27 G CA -0.710 44.313 45.100 -0.128 0.000 0.823 27 G HN -0.178 nan 8.290 nan 0.000 0.569 28 Y N 1.191 121.476 120.300 -0.025 0.000 2.417 28 Y HA 0.422 4.971 4.550 -0.000 0.000 0.336 28 Y C -0.129 175.761 175.900 -0.016 0.000 0.961 28 Y CA -0.754 57.333 58.100 -0.021 0.000 1.215 28 Y CB 1.443 39.895 38.460 -0.013 0.000 1.120 28 Y HN 0.274 nan 8.280 nan 0.000 0.499 29 D N 5.196 125.655 120.400 0.097 0.000 2.210 29 D HA 0.255 4.895 4.640 -0.000 0.000 0.249 29 D C -2.141 174.196 176.300 0.063 0.000 1.078 29 D CA -1.419 52.615 54.000 0.057 0.000 0.875 29 D CB 1.060 41.870 40.800 0.017 0.000 1.175 29 D HN 0.318 nan 8.370 nan 0.000 0.440 30 P HA 0.195 nan 4.420 nan 0.000 0.271 30 P C -0.870 176.460 177.300 0.050 0.000 1.216 30 P CA -0.589 62.541 63.100 0.050 0.000 0.776 30 P CB 0.763 32.487 31.700 0.039 0.000 0.881 31 L N 2.632 123.893 121.223 0.063 0.000 2.356 31 L HA 0.607 4.947 4.340 -0.000 0.000 0.277 31 L C -0.165 176.770 176.870 0.109 0.000 0.996 31 L CA -1.038 53.850 54.840 0.079 0.000 0.822 31 L CB 1.344 43.460 42.059 0.094 0.000 1.256 31 L HN 0.573 nan 8.230 nan 0.000 0.413 32 A N 3.363 126.254 122.820 0.119 0.000 2.511 32 A HA 0.458 4.777 4.320 -0.000 0.000 0.242 32 A C 0.563 178.289 177.584 0.237 0.000 1.069 32 A CA 0.401 52.526 52.037 0.147 0.000 0.763 32 A CB -0.283 18.799 19.000 0.138 0.000 1.001 32 A HN 0.960 nan 8.150 nan 0.000 0.498 33 S N 2.783 118.570 115.700 0.144 0.000 2.589 33 S HA 0.279 4.749 4.470 -0.000 0.000 0.265 33 S C -1.784 172.764 174.600 -0.087 0.000 1.342 33 S CA -0.531 57.709 58.200 0.066 0.000 1.005 33 S CB 0.329 63.562 63.200 0.055 0.000 0.909 33 S HN 0.468 nan 8.310 nan 0.000 0.555 34 P HA -0.065 nan 4.420 nan 0.000 0.215 34 P C 1.629 178.788 177.300 -0.235 0.000 1.153 34 P CA 2.018 64.689 63.100 -0.716 0.000 0.853 34 P CB -0.316 30.941 31.700 -0.738 0.000 0.788 35 A N -0.715 122.027 122.820 -0.130 0.000 1.933 35 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 35 A C 2.167 179.763 177.584 0.019 0.000 1.175 35 A CA 1.539 53.557 52.037 -0.032 0.000 0.628 35 A CB -1.700 17.320 19.000 0.034 0.000 0.814 35 A HN 0.163 nan 8.150 nan 0.000 0.444 36 L N -0.620 120.627 121.223 0.039 0.000 2.046 36 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 36 L C 2.205 179.111 176.870 0.059 0.000 1.077 36 L CA 1.566 56.438 54.840 0.054 0.000 0.747 36 L CB -0.305 41.792 42.059 0.064 0.000 0.896 36 L HN 0.349 nan 8.230 nan 0.000 0.432 37 L N -0.921 120.350 121.223 0.079 0.000 2.109 37 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 37 L C 2.529 179.439 176.870 0.068 0.000 1.086 37 L CA 1.428 56.330 54.840 0.103 0.000 0.760 37 L CB -0.607 41.581 42.059 0.215 0.000 0.910 37 L HN 0.497 nan 8.230 nan 0.000 0.437 38 Q N -1.076 118.749 119.800 0.041 0.000 2.170 38 Q HA -0.175 4.165 4.340 -0.000 0.000 0.203 38 Q C 2.175 178.193 176.000 0.030 0.000 0.976 38 Q CA 1.217 57.037 55.803 0.029 0.000 0.858 38 Q CB 0.010 28.750 28.738 0.003 0.000 0.907 38 Q HN 0.370 nan 8.270 nan 0.000 0.433 39 V N 0.805 120.737 119.914 0.030 0.000 2.407 39 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 39 V C 2.057 178.170 176.094 0.032 0.000 1.041 39 V CA 1.630 63.948 62.300 0.030 0.000 1.040 39 V CB -0.394 31.448 31.823 0.031 0.000 0.671 39 V HN 0.350 nan 8.190 nan 0.000 0.455 40 Q N -0.496 119.326 119.800 0.037 0.000 2.172 40 Q HA 0.057 4.397 4.340 -0.000 0.000 0.200 40 Q C 0.362 176.383 176.000 0.035 0.000 0.964 40 Q CA 1.027 56.851 55.803 0.035 0.000 0.855 40 Q CB 0.175 28.937 28.738 0.040 0.000 0.918 40 Q HN 0.519 nan 8.270 nan 0.000 0.444 41 I N 2.075 122.669 120.570 0.039 0.000 2.668 41 I HA 0.236 4.406 4.170 -0.000 0.000 0.276 41 I C -2.398 173.744 176.117 0.041 0.000 1.139 41 I CA -2.134 59.190 61.300 0.039 0.000 1.133 41 I CB 1.458 39.482 38.000 0.039 0.000 1.327 41 I HN -0.119 nan 8.210 nan 0.000 0.520 42 P HA 0.265 nan 4.420 nan 0.000 0.277 42 P C -0.365 176.959 177.300 0.040 0.000 1.240 42 P CA -0.350 62.771 63.100 0.036 0.000 0.798 42 P CB 1.259 32.976 31.700 0.029 0.000 0.979 43 A N 2.307 125.153 122.820 0.042 0.000 2.401 43 A HA 0.470 4.790 4.320 -0.000 0.000 0.259 43 A C 0.808 178.413 177.584 0.036 0.000 1.103 43 A CA -0.117 51.947 52.037 0.045 0.000 0.789 43 A CB -0.547 18.483 19.000 0.049 0.000 1.035 43 A HN 0.641 nan 8.150 nan 0.000 0.491 44 T N 0.901 115.476 114.554 0.034 0.000 2.904 44 T HA 0.381 4.731 4.350 -0.000 0.000 0.290 44 T C -1.801 172.914 174.700 0.025 0.000 1.018 44 T CA -1.337 60.779 62.100 0.027 0.000 1.075 44 T CB 0.731 69.614 68.868 0.024 0.000 0.986 44 T HN 0.326 nan 8.240 nan 0.000 0.523 45 P HA -0.154 nan 4.420 nan 0.000 0.218 45 P C 1.624 178.935 177.300 0.019 0.000 1.154 45 P CA 1.472 64.584 63.100 0.020 0.000 0.872 45 P CB -0.230 31.480 31.700 0.016 0.000 0.790 46 T N -1.465 113.099 114.554 0.018 0.000 2.777 46 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 46 T C 1.968 176.678 174.700 0.018 0.000 1.040 46 T CA 1.564 63.674 62.100 0.016 0.000 1.141 46 T CB -0.795 68.082 68.868 0.014 0.000 0.868 46 T HN 0.100 nan 8.240 nan 0.000 0.444 47 S N 1.422 117.136 115.700 0.023 0.000 2.359 47 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 47 S C 1.996 176.612 174.600 0.027 0.000 1.035 47 S CA 1.053 59.269 58.200 0.027 0.000 1.018 47 S CB -0.459 62.764 63.200 0.039 0.000 0.876 47 S HN 0.370 nan 8.310 nan 0.000 0.448 48 L N 0.810 122.050 121.223 0.030 0.000 2.156 48 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 48 L C 2.613 179.500 176.870 0.028 0.000 1.095 48 L CA 1.056 55.916 54.840 0.033 0.000 0.770 48 L CB -0.377 41.702 42.059 0.033 0.000 0.914 48 L HN 0.249 nan 8.230 nan 0.000 0.439 49 E N -0.016 120.197 120.200 0.022 0.000 2.112 49 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 49 E C 2.026 178.636 176.600 0.016 0.000 0.979 49 E CA 1.545 57.956 56.400 0.019 0.000 0.814 49 E CB -0.123 29.586 29.700 0.016 0.000 0.762 49 E HN 0.185 nan 8.360 nan 0.000 0.460 50 T N 0.420 114.982 114.554 0.012 0.000 2.708 50 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 50 T C 1.772 176.473 174.700 0.002 0.000 1.037 50 T CA 1.647 63.750 62.100 0.005 0.000 1.146 50 T CB -0.561 68.308 68.868 0.002 0.000 0.865 50 T HN 0.353 nan 8.240 nan 0.000 0.435 51 A N 1.981 124.803 122.820 0.004 0.000 1.865 51 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 51 A C 2.235 179.833 177.584 0.023 0.000 1.191 51 A CA 1.781 53.819 52.037 0.002 0.000 0.623 51 A CB -0.495 18.512 19.000 0.012 0.000 0.826 51 A HN 0.485 nan 8.150 nan 0.000 0.444 52 K N -0.986 119.435 120.400 0.035 0.000 2.147 52 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 52 K C 2.336 178.955 176.600 0.033 0.000 1.049 52 K CA 1.342 57.656 56.287 0.045 0.000 0.936 52 K CB -0.156 32.369 32.500 0.042 0.000 0.722 52 K HN 0.440 nan 8.250 nan 0.000 0.446 53 R N 0.639 121.151 120.500 0.020 0.000 2.092 53 R HA -0.093 4.246 4.340 -0.000 0.000 0.231 53 R C 2.376 178.679 176.300 0.006 0.000 1.119 53 R CA 1.381 57.487 56.100 0.011 0.000 0.970 53 R CB -0.347 29.957 30.300 0.006 0.000 0.864 53 R HN 0.296 nan 8.270 nan 0.000 0.440 54 G N 0.557 109.361 108.800 0.006 0.000 2.418 54 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 54 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 54 G C 1.360 176.271 174.900 0.018 0.000 1.158 54 G CA 0.535 45.637 45.100 0.003 0.000 0.771 54 G HN 0.302 nan 8.290 nan 0.000 0.545 55 R N -0.035 120.488 120.500 0.039 0.000 2.070 55 R HA 0.015 4.354 4.340 -0.000 0.000 0.233 55 R C 2.815 179.121 176.300 0.010 0.000 1.137 55 R CA 1.206 57.343 56.100 0.062 0.000 0.945 55 R CB -0.366 29.994 30.300 0.101 0.000 0.845 55 R HN 0.241 nan 8.270 nan 0.000 0.430 56 R N 0.737 121.239 120.500 0.004 0.000 2.103 56 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 56 R C 2.211 178.489 176.300 -0.036 0.000 1.142 56 R CA 1.688 57.778 56.100 -0.018 0.000 0.960 56 R CB -0.184 30.115 30.300 -0.001 0.000 0.858 56 R HN 0.422 nan 8.270 nan 0.000 0.439 57 E N 0.105 120.288 120.200 -0.028 0.000 2.046 57 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 57 E C 2.139 178.706 176.600 -0.055 0.000 0.982 57 E CA 0.851 57.229 56.400 -0.036 0.000 0.800 57 E CB -0.104 29.578 29.700 -0.029 0.000 0.756 57 E HN 0.334 nan 8.360 nan 0.000 0.449 58 A N 1.568 124.359 122.820 -0.048 0.000 1.892 58 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 58 A C 2.200 179.728 177.584 -0.095 0.000 1.188 58 A CA 1.481 53.482 52.037 -0.059 0.000 0.631 58 A CB -0.836 18.175 19.000 0.019 0.000 0.822 58 A HN 0.164 nan 8.150 nan 0.000 0.447 59 I N -0.101 120.392 120.570 -0.128 0.000 2.163 59 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 59 I C 1.878 177.911 176.117 -0.140 0.000 1.085 59 I CA 1.728 62.879 61.300 -0.249 0.000 1.347 59 I CB -0.501 37.257 38.000 -0.404 0.000 1.044 59 I HN 0.276 nan 8.210 nan 0.000 0.408 60 D N 0.676 121.021 120.400 -0.092 0.000 2.178 60 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 60 D C 2.217 178.482 176.300 -0.057 0.000 0.980 60 D CA 1.305 55.272 54.000 -0.055 0.000 0.842 60 D CB -0.109 40.668 40.800 -0.039 0.000 0.948 60 D HN 0.388 nan 8.370 nan 0.000 0.472 61 I N 1.027 121.549 120.570 -0.080 0.000 2.333 61 I HA -0.143 4.027 4.170 -0.000 0.000 0.246 61 I C 2.446 178.497 176.117 -0.110 0.000 1.106 61 I CA 0.597 61.842 61.300 -0.092 0.000 1.411 61 I CB -0.128 37.806 38.000 -0.110 0.000 1.082 61 I HN -0.003 nan 8.210 nan 0.000 0.420 62 I N -1.276 119.210 120.570 -0.140 0.000 2.617 62 I HA -0.103 4.067 4.170 -0.000 0.000 0.256 62 I C 2.153 178.241 176.117 -0.049 0.000 1.167 62 I CA 1.388 62.592 61.300 -0.160 0.000 1.469 62 I CB -0.715 37.143 38.000 -0.237 0.000 1.098 62 I HN 0.155 nan 8.210 nan 0.000 0.436 63 T N -2.118 112.427 114.554 -0.016 0.000 3.107 63 T HA 0.425 4.775 4.350 -0.000 0.000 0.249 63 T C 1.535 176.242 174.700 0.011 0.000 1.096 63 T CA 0.330 62.447 62.100 0.027 0.000 1.012 63 T CB 0.151 69.054 68.868 0.058 0.000 0.977 63 T HN 0.723 nan 8.240 nan 0.000 0.527 64 G N 1.627 110.420 108.800 -0.011 0.000 2.157 64 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.248 64 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.248 64 G C 0.737 175.632 174.900 -0.008 0.000 0.979 64 G CA 0.387 45.481 45.100 -0.010 0.000 0.650 64 G HN 0.559 nan 8.290 nan 0.000 0.529 65 K N -0.350 120.044 120.400 -0.010 0.000 2.305 65 K HA 0.179 4.499 4.320 -0.000 0.000 0.199 65 K C 0.543 177.136 176.600 -0.013 0.000 1.047 65 K CA 0.813 57.096 56.287 -0.007 0.000 0.976 65 K CB 0.231 32.729 32.500 -0.003 0.000 0.765 65 K HN 0.417 nan 8.250 nan 0.000 0.474 66 D N 0.056 120.442 120.400 -0.022 0.000 2.481 66 D HA 0.024 4.664 4.640 -0.000 0.000 0.244 66 D C -0.526 175.757 176.300 -0.028 0.000 1.057 66 D CA -0.683 53.302 54.000 -0.025 0.000 0.848 66 D CB 1.466 42.248 40.800 -0.031 0.000 1.388 66 D HN -0.019 nan 8.370 nan 0.000 0.475 67 D N 1.688 122.074 120.400 -0.023 0.000 2.369 67 D HA 0.053 4.693 4.640 -0.000 0.000 0.211 67 D C 0.137 176.422 176.300 -0.026 0.000 1.077 67 D CA -0.193 53.794 54.000 -0.022 0.000 0.842 67 D CB 0.077 40.868 40.800 -0.014 0.000 0.947 67 D HN 0.186 nan 8.370 nan 0.000 0.509 68 R N 0.023 120.505 120.500 -0.031 0.000 2.707 68 R HA 0.445 4.785 4.340 -0.000 0.000 0.270 68 R C -0.245 176.026 176.300 -0.048 0.000 1.083 68 R CA -0.559 55.520 56.100 -0.035 0.000 1.182 68 R CB 1.173 31.451 30.300 -0.036 0.000 1.084 68 R HN -0.087 nan 8.270 nan 0.000 0.528 69 V N 2.721 122.605 119.914 -0.050 0.000 2.472 69 V HA 0.143 4.263 4.120 -0.000 0.000 0.290 69 V C -0.237 175.804 176.094 -0.088 0.000 1.037 69 V CA -0.754 61.505 62.300 -0.067 0.000 0.908 69 V CB 1.556 33.349 31.823 -0.049 0.000 0.985 69 V HN 0.419 nan 8.190 nan 0.000 0.454 70 L N 6.723 127.872 121.223 -0.124 0.000 2.319 70 L HA 0.473 4.813 4.340 -0.000 0.000 0.280 70 L C -0.358 176.413 176.870 -0.166 0.000 1.099 70 L CA 0.625 55.374 54.840 -0.152 0.000 0.828 70 L CB 1.148 43.082 42.059 -0.208 0.000 1.150 70 L HN 0.447 nan 8.230 nan 0.000 0.442 71 V N 6.639 126.461 119.914 -0.152 0.000 2.444 71 V HA 0.448 4.568 4.120 -0.000 0.000 0.294 71 V C -0.342 175.655 176.094 -0.161 0.000 1.022 71 V CA -0.645 61.560 62.300 -0.159 0.000 0.850 71 V CB 1.617 33.370 31.823 -0.115 0.000 0.992 71 V HN 0.475 nan 8.190 nan 0.000 0.426 72 I N 5.739 126.193 120.570 -0.193 0.000 2.354 72 I HA 0.583 4.753 4.170 -0.000 0.000 0.286 72 I C -0.264 175.799 176.117 -0.091 0.000 1.007 72 I CA -0.481 60.728 61.300 -0.153 0.000 1.167 72 I CB 1.288 39.155 38.000 -0.222 0.000 1.320 72 I HN 0.408 nan 8.210 nan 0.000 0.458 73 V N 5.637 125.538 119.914 -0.022 0.000 2.888 73 V HA 1.014 5.134 4.120 -0.000 0.000 0.309 73 V C -0.220 175.929 176.094 0.091 0.000 1.114 73 V CA 0.314 62.624 62.300 0.017 0.000 0.940 73 V CB 1.853 33.698 31.823 0.037 0.000 1.021 73 V HN 1.050 nan 8.190 nan 0.000 0.426 74 G N 5.540 114.358 108.800 0.031 0.000 2.356 74 G HA2 0.278 4.237 3.960 -0.000 0.000 0.288 74 G HA3 0.278 4.237 3.960 -0.000 0.000 0.288 74 G C -3.544 171.206 174.900 -0.249 0.000 1.302 74 G CA -0.416 44.592 45.100 -0.154 0.000 0.887 74 G HN 0.691 nan 8.290 nan 0.000 0.521 75 P HA 0.222 nan 4.420 nan 0.000 0.269 75 P C 1.238 178.444 177.300 -0.156 0.000 1.217 75 P CA 0.051 62.994 63.100 -0.262 0.000 0.783 75 P CB 0.944 32.477 31.700 -0.278 0.000 0.898 76 C N 1.337 120.570 119.300 -0.110 0.000 2.413 76 C HA -0.038 4.422 4.460 -0.000 0.000 0.276 76 C C 1.037 176.028 174.990 0.003 0.000 1.236 76 C CA 1.872 60.847 59.018 -0.072 0.000 1.735 76 C CB -1.384 26.347 27.740 -0.015 0.000 2.031 76 C HN 0.766 nan 8.230 nan 0.000 0.474 77 S N -0.795 114.954 115.700 0.083 0.000 2.596 77 S HA 0.651 5.121 4.470 -0.000 0.000 0.270 77 S C -1.243 173.468 174.600 0.186 0.000 1.155 77 S CA -0.743 57.578 58.200 0.201 0.000 0.827 77 S CB 1.068 64.462 63.200 0.323 0.000 1.130 77 S HN 0.191 nan 8.310 nan 0.000 0.467 78 I N 2.996 123.705 120.570 0.232 0.000 2.359 78 I HA 0.291 4.460 4.170 -0.000 0.000 0.284 78 I C 0.684 176.936 176.117 0.226 0.000 1.018 78 I CA -0.347 61.014 61.300 0.102 0.000 1.173 78 I CB 0.461 38.517 38.000 0.093 0.000 1.326 78 I HN 1.108 nan 8.210 nan 0.000 0.462 79 H N 2.428 121.506 119.070 0.013 0.000 2.563 79 H HA 0.241 4.796 4.556 -0.000 0.000 0.264 79 H C -0.143 175.094 175.328 -0.151 0.000 0.957 79 H CA -0.099 55.807 56.048 -0.237 0.000 1.173 79 H CB 0.433 29.650 29.762 -0.909 0.000 1.420 79 H HN 0.389 nan 8.280 nan 0.000 0.551 80 D N 0.293 120.410 120.400 -0.472 0.000 2.402 80 D HA 0.091 4.731 4.640 -0.000 0.000 0.252 80 D C 0.361 176.547 176.300 -0.191 0.000 1.294 80 D CA -0.584 53.224 54.000 -0.319 0.000 0.948 80 D CB 1.065 41.563 40.800 -0.502 0.000 1.202 80 D HN 0.090 nan 8.370 nan 0.000 0.561 81 L N 3.121 124.301 121.223 -0.071 0.000 2.131 81 L HA -0.047 4.292 4.340 -0.000 0.000 0.210 81 L C 1.896 178.755 176.870 -0.018 0.000 1.092 81 L CA 1.539 56.364 54.840 -0.024 0.000 0.759 81 L CB -0.320 41.747 42.059 0.013 0.000 0.903 81 L HN 0.423 nan 8.230 nan 0.000 0.435 82 E N -0.698 119.497 120.200 -0.009 0.000 2.046 82 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 82 E C 2.353 178.980 176.600 0.044 0.000 0.982 82 E CA 1.177 57.600 56.400 0.038 0.000 0.800 82 E CB -0.566 29.184 29.700 0.082 0.000 0.756 82 E HN 0.375 nan 8.360 nan 0.000 0.449 83 A N 1.129 123.923 122.820 -0.045 0.000 1.940 83 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 83 A C 2.352 179.853 177.584 -0.137 0.000 1.176 83 A CA 2.006 53.902 52.037 -0.233 0.000 0.631 83 A CB -0.871 17.746 19.000 -0.637 0.000 0.814 83 A HN 0.275 nan 8.150 nan 0.000 0.446 84 A N -1.372 121.375 122.820 -0.123 0.000 1.930 84 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 84 A C 2.125 179.723 177.584 0.024 0.000 1.175 84 A CA 1.969 53.968 52.037 -0.063 0.000 0.627 84 A CB -0.429 18.529 19.000 -0.070 0.000 0.815 84 A HN 0.491 nan 8.150 nan 0.000 0.443 85 Q N -0.064 119.746 119.800 0.017 0.000 2.079 85 Q HA -0.163 4.176 4.340 -0.000 0.000 0.200 85 Q C 1.944 177.951 176.000 0.012 0.000 0.974 85 Q CA 2.121 57.939 55.803 0.024 0.000 0.840 85 Q CB -0.283 28.468 28.738 0.021 0.000 0.898 85 Q HN 0.802 nan 8.270 nan 0.000 0.430 86 E N -1.510 118.702 120.200 0.019 0.000 2.072 86 E HA -0.222 4.127 4.350 -0.000 0.000 0.191 86 E C 1.776 178.324 176.600 -0.088 0.000 0.985 86 E CA 0.894 57.286 56.400 -0.013 0.000 0.801 86 E CB -0.332 29.406 29.700 0.064 0.000 0.750 86 E HN 0.503 nan 8.360 nan 0.000 0.452 87 Y N 0.842 121.036 120.300 -0.177 0.000 2.114 87 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 87 Y C 2.113 177.880 175.900 -0.221 0.000 1.165 87 Y CA 2.108 60.063 58.100 -0.242 0.000 1.148 87 Y CB -0.522 37.847 38.460 -0.153 0.000 0.972 87 Y HN 0.173 nan 8.280 nan 0.000 0.504 88 A N -0.195 122.680 122.820 0.091 0.000 1.933 88 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 88 A C 2.110 179.635 177.584 -0.098 0.000 1.175 88 A CA 1.630 53.696 52.037 0.048 0.000 0.628 88 A CB -0.950 18.089 19.000 0.065 0.000 0.814 88 A HN 0.466 nan 8.150 nan 0.000 0.444 89 L N -0.079 121.067 121.223 -0.128 0.000 2.083 89 L HA -0.114 4.225 4.340 -0.000 0.000 0.209 89 L C 2.598 179.339 176.870 -0.215 0.000 1.083 89 L CA 1.701 56.460 54.840 -0.135 0.000 0.752 89 L CB -1.255 40.737 42.059 -0.112 0.000 0.899 89 L HN 0.439 nan 8.230 nan 0.000 0.433 90 R N -1.024 119.227 120.500 -0.415 0.000 2.073 90 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 90 R C 2.112 178.215 176.300 -0.328 0.000 1.134 90 R CA 1.022 56.774 56.100 -0.581 0.000 0.952 90 R CB -0.626 28.839 30.300 -1.392 0.000 0.850 90 R HN 0.179 nan 8.270 nan 0.000 0.433 91 L N 1.750 122.749 121.223 -0.372 0.000 2.046 91 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 91 L C 2.280 179.160 176.870 0.016 0.000 1.077 91 L CA 1.840 56.660 54.840 -0.033 0.000 0.747 91 L CB -0.396 41.643 42.059 -0.034 0.000 0.896 91 L HN -0.057 nan 8.230 nan 0.000 0.432 92 K N -0.045 120.335 120.400 -0.033 0.000 2.057 92 K HA -0.217 4.103 4.320 -0.000 0.000 0.206 92 K C 2.217 178.818 176.600 0.000 0.000 1.050 92 K CA 1.820 58.101 56.287 -0.009 0.000 0.935 92 K CB -0.253 32.235 32.500 -0.020 0.000 0.715 92 K HN 0.292 nan 8.250 nan 0.000 0.439 93 K N -0.198 120.197 120.400 -0.008 0.000 2.025 93 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 93 K C 1.964 178.588 176.600 0.041 0.000 1.049 93 K CA 1.285 57.577 56.287 0.009 0.000 0.933 93 K CB -0.331 32.168 32.500 -0.001 0.000 0.714 93 K HN 0.144 nan 8.250 nan 0.000 0.438 94 L N 1.057 122.334 121.223 0.090 0.000 2.081 94 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 94 L C 2.271 179.170 176.870 0.049 0.000 1.080 94 L CA 2.132 57.032 54.840 0.100 0.000 0.754 94 L CB -0.956 41.211 42.059 0.180 0.000 0.893 94 L HN 0.270 nan 8.230 nan 0.000 0.433 95 S N -1.423 114.303 115.700 0.043 0.000 2.402 95 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 95 S C 1.742 176.348 174.600 0.010 0.000 1.021 95 S CA 1.237 59.449 58.200 0.020 0.000 0.974 95 S CB -0.386 62.825 63.200 0.018 0.000 0.800 95 S HN 0.559 nan 8.310 nan 0.000 0.484 96 D N 1.204 121.611 120.400 0.011 0.000 2.097 96 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 96 D C 1.974 178.276 176.300 0.004 0.000 0.984 96 D CA 1.114 55.117 54.000 0.005 0.000 0.826 96 D CB -0.499 40.304 40.800 0.004 0.000 0.973 96 D HN 0.649 nan 8.370 nan 0.000 0.460 97 E N 0.232 120.437 120.200 0.008 0.000 2.085 97 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 97 E C 1.619 178.218 176.600 -0.001 0.000 0.994 97 E CA 0.680 57.083 56.400 0.005 0.000 0.801 97 E CB 0.039 29.745 29.700 0.010 0.000 0.743 97 E HN 0.251 nan 8.360 nan 0.000 0.453 98 L N 1.139 122.361 121.223 -0.002 0.000 2.628 98 L HA 0.099 4.439 4.340 -0.000 0.000 0.229 98 L C 2.141 179.005 176.870 -0.011 0.000 1.137 98 L CA -0.064 54.770 54.840 -0.009 0.000 0.909 98 L CB -0.039 42.011 42.059 -0.015 0.000 1.137 98 L HN 0.079 nan 8.230 nan 0.000 0.470 99 K N 0.596 120.991 120.400 -0.009 0.000 2.283 99 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 99 K C 1.732 178.324 176.600 -0.013 0.000 1.048 99 K CA 1.265 57.545 56.287 -0.011 0.000 0.948 99 K CB -0.275 32.220 32.500 -0.008 0.000 0.742 99 K HN 0.196 nan 8.250 nan 0.000 0.458 100 G N 1.593 110.386 108.800 -0.011 0.000 2.450 100 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 100 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 100 G C 0.867 175.758 174.900 -0.014 0.000 1.130 100 G CA 1.125 46.218 45.100 -0.011 0.000 0.760 100 G HN 0.412 nan 8.290 nan 0.000 0.557 101 D N -0.923 119.467 120.400 -0.016 0.000 2.470 101 D HA 0.194 4.834 4.640 -0.000 0.000 0.238 101 D C 0.777 177.062 176.300 -0.026 0.000 1.054 101 D CA 0.132 54.121 54.000 -0.019 0.000 0.896 101 D CB 0.711 41.501 40.800 -0.017 0.000 1.118 101 D HN 0.203 nan 8.370 nan 0.000 0.497 102 L N 0.626 121.833 121.223 -0.028 0.000 2.362 102 L HA 0.386 4.726 4.340 -0.000 0.000 0.275 102 L C -0.284 176.564 176.870 -0.038 0.000 0.998 102 L CA -0.639 54.179 54.840 -0.037 0.000 0.820 102 L CB 2.532 44.569 42.059 -0.035 0.000 1.270 102 L HN -0.215 nan 8.230 nan 0.000 0.415 103 S N 3.978 119.648 115.700 -0.050 0.000 2.422 103 S HA 0.628 5.097 4.470 -0.000 0.000 0.308 103 S C -0.550 174.016 174.600 -0.056 0.000 1.097 103 S CA -0.446 57.725 58.200 -0.048 0.000 1.099 103 S CB 0.252 63.419 63.200 -0.054 0.000 0.976 103 S HN 0.430 nan 8.310 nan 0.000 0.471 104 I N 5.956 126.503 120.570 -0.039 0.000 2.404 104 I HA 0.496 4.666 4.170 -0.000 0.000 0.293 104 I C -0.562 175.539 176.117 -0.026 0.000 0.992 104 I CA -0.659 60.621 61.300 -0.033 0.000 1.149 104 I CB 1.613 39.608 38.000 -0.009 0.000 1.315 104 I HN 0.530 nan 8.210 nan 0.000 0.446 105 I N 6.434 126.982 120.570 -0.037 0.000 2.498 105 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 105 I C -0.257 175.863 176.117 0.004 0.000 1.032 105 I CA -0.617 60.666 61.300 -0.027 0.000 1.073 105 I CB 2.185 40.153 38.000 -0.052 0.000 1.251 105 I HN 0.551 nan 8.210 nan 0.000 0.426 106 M N 5.568 125.184 119.600 0.027 0.000 2.235 106 M HA 0.345 4.825 4.480 -0.000 0.000 0.351 106 M C -0.072 176.266 176.300 0.064 0.000 1.178 106 M CA -0.200 55.141 55.300 0.067 0.000 1.143 106 M CB 0.674 33.324 32.600 0.083 0.000 1.530 106 M HN 0.472 nan 8.290 nan 0.000 0.461 107 R N 3.314 123.866 120.500 0.086 0.000 2.351 107 R HA 0.295 4.635 4.340 -0.000 0.000 0.318 107 R C -0.606 175.790 176.300 0.161 0.000 1.055 107 R CA 0.006 56.214 56.100 0.180 0.000 0.968 107 R CB 0.348 30.665 30.300 0.029 0.000 0.974 107 R HN 0.724 nan 8.270 nan 0.000 0.439 108 A N 4.948 127.887 122.820 0.199 0.000 3.165 108 A HA 0.272 4.592 4.320 -0.000 0.000 0.331 108 A C -1.220 176.529 177.584 0.276 0.000 1.034 108 A CA -0.511 51.593 52.037 0.112 0.000 0.906 108 A CB 0.213 19.070 19.000 -0.237 0.000 1.054 108 A HN 0.574 nan 8.150 nan 0.000 0.484 109 Y N 0.019 120.376 120.300 0.095 0.000 2.376 109 Y HA 0.473 5.023 4.550 -0.000 0.000 0.325 109 Y C 0.936 176.909 175.900 0.121 0.000 1.199 109 Y CA -0.883 57.283 58.100 0.111 0.000 1.206 109 Y CB 1.318 39.824 38.460 0.078 0.000 1.229 109 Y HN 0.318 nan 8.280 nan 0.000 0.480 110 L N 0.439 121.792 121.223 0.217 0.000 2.609 110 L HA 0.239 4.579 4.340 -0.000 0.000 0.230 110 L C 0.200 177.046 176.870 -0.040 0.000 1.064 110 L CA 0.674 55.571 54.840 0.096 0.000 0.873 110 L CB -0.238 41.831 42.059 0.017 0.000 1.139 110 L HN 0.735 nan 8.230 nan 0.000 0.490 111 E N -0.655 119.539 120.200 -0.011 0.000 2.446 111 E HA 0.457 4.807 4.350 -0.000 0.000 0.276 111 E C -1.087 175.536 176.600 0.039 0.000 0.969 111 E CA -0.999 55.338 56.400 -0.105 0.000 0.800 111 E CB 2.089 31.682 29.700 -0.178 0.000 1.341 111 E HN -0.065 nan 8.360 nan 0.000 0.460 112 K N 0.889 121.295 120.400 0.011 0.000 2.221 112 K HA 0.411 4.730 4.320 -0.000 0.000 0.258 112 K C -2.537 174.076 176.600 0.022 0.000 0.944 112 K CA -1.804 54.519 56.287 0.060 0.000 0.823 112 K CB 0.900 33.453 32.500 0.088 0.000 1.113 112 K HN 0.148 nan 8.250 nan 0.000 0.431 113 P HA -0.087 nan 4.420 nan 0.000 0.255 113 P C -0.247 177.059 177.300 0.008 0.000 1.151 113 P CA 0.498 63.602 63.100 0.008 0.000 0.767 113 P CB 0.058 31.762 31.700 0.005 0.000 0.736 118 G N -1.545 107.277 108.800 0.036 0.000 3.214 118 G HA2 0.470 4.430 3.960 -0.000 0.000 0.188 118 G HA3 0.470 4.430 3.960 -0.000 0.000 0.188 118 G C -1.972 172.983 174.900 0.092 0.000 1.126 118 G CA -0.314 44.821 45.100 0.059 0.000 0.796 118 G HN 0.437 nan 8.290 nan 0.000 0.631 119 W N 1.929 123.196 121.300 -0.055 0.000 2.295 119 W HA 0.333 4.993 4.660 -0.000 0.000 0.335 119 W C 1.089 177.570 176.519 -0.064 0.000 1.351 119 W CA -0.014 57.286 57.345 -0.075 0.000 1.273 119 W CB 0.666 30.079 29.460 -0.079 0.000 1.214 119 W HN 0.367 nan 8.180 nan 0.000 0.563 120 K N 4.887 124.971 120.400 -0.527 0.000 2.444 120 K HA 0.321 4.641 4.320 -0.000 0.000 0.193 120 K C 0.750 176.840 176.600 -0.850 0.000 1.024 120 K CA 0.628 56.584 56.287 -0.552 0.000 1.077 120 K CB -0.194 32.065 32.500 -0.402 0.000 0.833 120 K HN 0.769 nan 8.250 nan 0.000 0.517 121 G N 0.752 108.476 108.800 -1.794 0.000 2.603 121 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 121 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 121 G C -0.153 174.141 174.900 -1.009 0.000 1.286 121 G CA -0.705 43.422 45.100 -1.621 0.000 0.871 121 G HN 0.064 nan 8.290 nan 0.000 0.568 122 L N 0.414 121.374 121.223 -0.439 0.000 2.240 122 L HA 0.328 4.668 4.340 -0.000 0.000 0.211 122 L C 2.687 179.534 176.870 -0.038 0.000 1.106 122 L CA 1.801 56.672 54.840 0.051 0.000 0.793 122 L CB -0.422 41.742 42.059 0.175 0.000 0.927 122 L HN 0.647 nan 8.230 nan 0.000 0.446 123 I N -0.644 119.849 120.570 -0.127 0.000 2.163 123 I HA -0.247 3.922 4.170 -0.000 0.000 0.240 123 I C 2.069 178.140 176.117 -0.078 0.000 1.081 123 I CA 1.010 62.243 61.300 -0.111 0.000 1.353 123 I CB -0.423 37.499 38.000 -0.130 0.000 1.054 123 I HN 0.317 nan 8.210 nan 0.000 0.407 124 N N 0.292 118.924 118.700 -0.114 0.000 2.080 124 N HA -0.149 4.591 4.740 -0.000 0.000 0.189 124 N C 0.646 176.081 175.510 -0.125 0.000 1.036 124 N CA 1.396 54.409 53.050 -0.062 0.000 0.846 124 N CB -0.159 38.239 38.487 -0.148 0.000 1.015 124 N HN 0.243 nan 8.380 nan 0.000 0.423 125 D N -0.029 120.277 120.400 -0.155 0.000 2.613 125 D HA 0.181 4.821 4.640 -0.000 0.000 0.312 125 D C -2.015 174.421 176.300 0.225 0.000 1.202 125 D CA -1.803 52.176 54.000 -0.035 0.000 0.825 125 D CB 0.869 41.608 40.800 -0.102 0.000 1.113 125 D HN 0.037 nan 8.370 nan 0.000 0.502 126 P HA -0.039 nan 4.420 nan 0.000 0.223 126 P C 0.203 177.591 177.300 0.148 0.000 1.151 126 P CA 0.680 63.892 63.100 0.187 0.000 0.787 126 P CB 0.514 32.268 31.700 0.090 0.000 0.788 127 D N -0.105 120.357 120.400 0.103 0.000 2.328 127 D HA 0.058 4.698 4.640 -0.000 0.000 0.221 127 D C 0.536 176.849 176.300 0.022 0.000 1.072 127 D CA -0.081 53.949 54.000 0.051 0.000 0.850 127 D CB -0.012 40.807 40.800 0.032 0.000 0.922 127 D HN -0.098 nan 8.370 nan 0.000 0.516 128 V N 2.240 122.192 119.914 0.064 0.000 5.578 128 V HA -0.306 3.814 4.120 -0.000 0.000 0.275 128 V C 0.457 176.514 176.094 -0.062 0.000 0.642 128 V CA 1.264 63.516 62.300 -0.080 0.000 0.613 128 V CB -2.209 29.383 31.823 -0.385 0.000 0.301 128 V HN 0.469 nan 8.190 nan 0.000 0.782 129 N N -0.940 117.762 118.700 0.003 0.000 2.387 129 N HA 0.144 4.884 4.740 -0.000 0.000 0.259 129 N C 0.123 175.628 175.510 -0.008 0.000 1.369 129 N CA 0.019 53.062 53.050 -0.012 0.000 0.867 129 N CB -0.225 38.257 38.487 -0.008 0.000 1.341 129 N HN 0.515 nan 8.380 nan 0.000 0.495 130 N N -0.257 118.440 118.700 -0.005 0.000 2.716 130 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 130 N C -0.848 174.607 175.510 -0.093 0.000 1.033 130 N CA 1.471 54.486 53.050 -0.058 0.000 0.727 130 N CB -0.872 37.601 38.487 -0.023 0.000 0.950 130 N HN 0.732 nan 8.380 nan 0.000 0.541 131 T N -3.678 110.819 114.554 -0.096 0.000 2.919 131 T HA 0.711 5.061 4.350 -0.000 0.000 0.282 131 T C -0.148 174.445 174.700 -0.179 0.000 1.020 131 T CA -0.751 61.324 62.100 -0.042 0.000 0.994 131 T CB 1.126 70.016 68.868 0.036 0.000 1.180 131 T HN 0.060 nan 8.240 nan 0.000 0.566 132 F N 0.916 120.874 119.950 0.013 0.000 2.508 132 F HA 0.675 5.202 4.527 -0.000 0.000 0.325 132 F C 0.517 176.317 175.800 -0.001 0.000 1.090 132 F CA -0.787 57.212 58.000 -0.001 0.000 0.945 132 F CB 1.876 40.867 39.000 -0.016 0.000 1.156 132 F HN 0.600 nan 8.300 nan 0.000 0.463 133 N N 3.045 121.851 118.700 0.177 0.000 3.111 133 N HA 0.167 4.907 4.740 -0.000 0.000 0.200 133 N C -0.087 175.457 175.510 0.057 0.000 1.464 133 N CA 0.032 53.139 53.050 0.096 0.000 0.758 133 N CB 0.234 38.759 38.487 0.063 0.000 1.548 133 N HN 0.486 nan 8.380 nan 0.000 0.595 134 I N 0.926 121.528 120.570 0.053 0.000 2.439 134 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 134 I C 2.062 178.144 176.117 -0.058 0.000 1.139 134 I CA 0.677 61.976 61.300 -0.001 0.000 1.438 134 I CB 0.026 38.024 38.000 -0.003 0.000 1.085 134 I HN 0.447 nan 8.210 nan 0.000 0.427 135 N N 0.570 119.250 118.700 -0.033 0.000 2.084 135 N HA -0.224 4.516 4.740 -0.000 0.000 0.190 135 N C 1.931 177.419 175.510 -0.036 0.000 1.030 135 N CA 1.199 54.224 53.050 -0.042 0.000 0.849 135 N CB -0.202 38.283 38.487 -0.003 0.000 1.012 135 N HN 0.353 nan 8.380 nan 0.000 0.423 136 K N 0.625 121.019 120.400 -0.011 0.000 2.211 136 K HA -0.059 4.260 4.320 -0.000 0.000 0.203 136 K C 1.931 178.519 176.600 -0.019 0.000 1.050 136 K CA 1.176 57.461 56.287 -0.004 0.000 0.945 136 K CB -0.224 32.285 32.500 0.015 0.000 0.732 136 K HN 0.117 nan 8.250 nan 0.000 0.451 137 G N 1.400 110.182 108.800 -0.031 0.000 2.421 137 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 137 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 137 G C 1.453 176.290 174.900 -0.106 0.000 1.171 137 G CA 0.604 45.674 45.100 -0.050 0.000 0.775 137 G HN 0.211 nan 8.290 nan 0.000 0.543 138 L N -0.174 120.954 121.223 -0.159 0.000 2.093 138 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 138 L C 3.169 179.950 176.870 -0.148 0.000 1.085 138 L CA 0.954 55.652 54.840 -0.237 0.000 0.755 138 L CB -0.370 41.427 42.059 -0.438 0.000 0.904 138 L HN 0.282 nan 8.230 nan 0.000 0.435 139 Q N -0.626 119.125 119.800 -0.082 0.000 2.050 139 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 139 Q C 2.434 178.410 176.000 -0.040 0.000 0.980 139 Q CA 1.903 57.685 55.803 -0.036 0.000 0.840 139 Q CB -0.151 28.581 28.738 -0.009 0.000 0.898 139 Q HN 0.409 nan 8.270 nan 0.000 0.424 140 S N 0.779 116.457 115.700 -0.036 0.000 2.370 140 S HA -0.209 4.261 4.470 -0.000 0.000 0.226 140 S C 2.039 176.607 174.600 -0.053 0.000 1.033 140 S CA 1.117 59.305 58.200 -0.019 0.000 1.011 140 S CB -0.333 62.872 63.200 0.008 0.000 0.852 140 S HN 0.506 nan 8.310 nan 0.000 0.457 141 A N 1.614 124.354 122.820 -0.133 0.000 1.877 141 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 141 A C 2.090 179.416 177.584 -0.430 0.000 1.186 141 A CA 1.656 53.512 52.037 -0.301 0.000 0.620 141 A CB -0.553 18.206 19.000 -0.400 0.000 0.822 141 A HN 0.437 nan 8.150 nan 0.000 0.443 142 R N -0.945 119.389 120.500 -0.278 0.000 2.096 142 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 142 R C 2.398 178.689 176.300 -0.015 0.000 1.127 142 R CA 1.840 57.848 56.100 -0.154 0.000 0.968 142 R CB -0.225 30.045 30.300 -0.049 0.000 0.861 142 R HN 0.568 nan 8.270 nan 0.000 0.440 143 Q N 0.605 120.401 119.800 -0.006 0.000 2.046 143 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 143 Q C 1.960 178.005 176.000 0.075 0.000 0.975 143 Q CA 1.635 57.460 55.803 0.037 0.000 0.836 143 Q CB -0.437 28.317 28.738 0.026 0.000 0.896 143 Q HN 0.349 nan 8.270 nan 0.000 0.428 144 L N -0.317 120.956 121.223 0.082 0.000 2.010 144 L HA -0.208 4.132 4.340 -0.000 0.000 0.219 144 L C 1.944 178.984 176.870 0.284 0.000 1.077 144 L CA 2.022 56.960 54.840 0.163 0.000 0.773 144 L CB -0.879 41.296 42.059 0.192 0.000 0.892 144 L HN 0.281 nan 8.230 nan 0.000 0.436 145 F N -1.120 118.839 119.950 0.015 0.000 2.146 145 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 145 F C 2.516 178.323 175.800 0.012 0.000 1.096 145 F CA 1.200 59.206 58.000 0.010 0.000 1.275 145 F CB -1.256 37.746 39.000 0.004 0.000 1.008 145 F HN -0.079 nan 8.300 nan 0.000 0.480 146 V N 0.392 120.433 119.914 0.211 0.000 2.295 146 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 146 V C 2.254 178.400 176.094 0.086 0.000 1.049 146 V CA 1.991 64.362 62.300 0.118 0.000 1.024 146 V CB -0.667 31.209 31.823 0.090 0.000 0.648 146 V HN 0.264 nan 8.190 nan 0.000 0.447 147 N N 0.126 118.878 118.700 0.085 0.000 2.061 147 N HA -0.161 4.579 4.740 -0.000 0.000 0.193 147 N C 1.676 177.216 175.510 0.050 0.000 1.030 147 N CA 1.650 54.736 53.050 0.060 0.000 0.856 147 N CB -0.483 38.041 38.487 0.061 0.000 1.023 147 N HN 0.421 nan 8.380 nan 0.000 0.424 148 L N -0.026 121.232 121.223 0.058 0.000 2.023 148 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 148 L C 2.410 179.290 176.870 0.016 0.000 1.073 148 L CA 1.593 56.453 54.840 0.032 0.000 0.745 148 L CB -1.231 40.838 42.059 0.017 0.000 0.900 148 L HN 0.275 nan 8.230 nan 0.000 0.435 149 T N -3.107 111.455 114.554 0.014 0.000 2.881 149 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 149 T C 1.606 176.314 174.700 0.014 0.000 1.068 149 T CA 1.569 63.672 62.100 0.004 0.000 1.131 149 T CB -0.594 68.276 68.868 0.004 0.000 0.871 149 T HN 0.212 nan 8.240 nan 0.000 0.479 150 N N 1.933 120.647 118.700 0.024 0.000 2.309 150 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 150 N C 1.639 177.157 175.510 0.013 0.000 1.018 150 N CA 1.019 54.081 53.050 0.021 0.000 0.876 150 N CB -0.606 37.897 38.487 0.027 0.000 0.972 150 N HN 0.801 nan 8.380 nan 0.000 0.434 151 I N -3.893 116.683 120.570 0.010 0.000 3.646 151 I HA 0.361 4.531 4.170 -0.000 0.000 0.301 151 I C 0.956 177.074 176.117 0.002 0.000 1.276 151 I CA 0.434 61.736 61.300 0.004 0.000 1.254 151 I CB -0.380 37.620 38.000 0.000 0.000 1.020 151 I HN 0.083 nan 8.210 nan 0.000 0.473 152 G N 1.796 110.598 108.800 0.003 0.000 2.132 152 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.228 152 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.228 152 G C -0.389 174.510 174.900 -0.002 0.000 1.000 152 G CA 0.146 45.246 45.100 0.001 0.000 0.693 152 G HN 0.412 nan 8.290 nan 0.000 0.515 153 L N 1.441 122.662 121.223 -0.002 0.000 2.280 153 L HA 0.719 5.059 4.340 -0.000 0.000 0.287 153 L C -2.103 174.755 176.870 -0.019 0.000 1.023 153 L CA -2.397 52.441 54.840 -0.004 0.000 0.819 153 L CB 1.245 43.308 42.059 0.006 0.000 1.212 153 L HN -0.098 nan 8.230 nan 0.000 0.420 154 P HA 0.301 nan 4.420 nan 0.000 0.272 154 P C -0.997 176.263 177.300 -0.066 0.000 1.223 154 P CA -0.078 62.996 63.100 -0.044 0.000 0.784 154 P CB 0.647 32.330 31.700 -0.029 0.000 0.923 155 I N -1.637 118.856 120.570 -0.128 0.000 2.892 155 I HA 0.924 5.094 4.170 -0.000 0.000 0.306 155 I C -0.265 175.740 176.117 -0.187 0.000 1.078 155 I CA -1.067 60.117 61.300 -0.192 0.000 1.032 155 I CB 2.564 40.326 38.000 -0.396 0.000 1.229 155 I HN 0.330 nan 8.210 nan 0.000 0.435 156 G N 1.285 110.021 108.800 -0.106 0.000 2.563 156 G HA2 0.665 4.625 3.960 -0.000 0.000 0.302 156 G HA3 0.665 4.625 3.960 -0.000 0.000 0.302 156 G C -1.660 173.149 174.900 -0.152 0.000 1.301 156 G CA -0.595 44.521 45.100 0.026 0.000 0.965 156 G HN 0.745 nan 8.290 nan 0.000 0.480 157 S N -0.773 114.688 115.700 -0.398 0.000 2.596 157 S HA 0.461 4.931 4.470 -0.000 0.000 0.270 157 S C -1.070 173.027 174.600 -0.839 0.000 1.155 157 S CA -0.663 57.108 58.200 -0.715 0.000 0.827 157 S CB 1.861 64.931 63.200 -0.217 0.000 1.130 157 S HN 0.742 nan 8.310 nan 0.000 0.467 158 E N 1.836 121.457 120.200 -0.965 0.000 2.360 158 E HA 0.193 4.543 4.350 -0.000 0.000 0.269 158 E C -0.566 175.892 176.600 -0.237 0.000 1.022 158 E CA -0.222 55.889 56.400 -0.482 0.000 0.887 158 E CB 0.441 29.988 29.700 -0.256 0.000 0.990 158 E HN 0.432 nan 8.360 nan 0.000 0.426 159 M N 6.163 125.661 119.600 -0.170 0.000 2.151 159 M HA 0.124 4.604 4.480 -0.000 0.000 0.349 159 M C 0.419 176.725 176.300 0.009 0.000 1.284 159 M CA 0.171 55.429 55.300 -0.071 0.000 1.173 159 M CB 0.407 32.961 32.600 -0.076 0.000 1.469 159 M HN 0.725 nan 8.290 nan 0.000 0.439 160 L N 1.568 122.797 121.223 0.011 0.000 2.209 160 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 160 L C 0.165 177.100 176.870 0.107 0.000 1.094 160 L CA 0.897 55.772 54.840 0.059 0.000 0.790 160 L CB 0.036 42.099 42.059 0.007 0.000 0.932 160 L HN 0.691 nan 8.230 nan 0.000 0.447 161 D N -5.071 115.314 120.400 -0.025 0.000 0.000 161 D HA -0.010 4.630 4.640 -0.000 0.000 0.000 161 D C 0.363 176.575 176.300 -0.147 0.000 0.000 161 D CA 0.046 53.967 54.000 -0.130 0.000 0.000 161 D CB 0.464 41.241 40.800 -0.037 0.000 0.000 161 D HN -0.132 nan 8.370 nan 0.000 0.000 162 T N -2.138 112.331 114.554 -0.141 0.000 3.113 162 T HA 0.176 4.526 4.350 -0.000 0.000 0.256 162 T C 1.412 176.149 174.700 0.062 0.000 1.131 162 T CA 0.504 62.564 62.100 -0.066 0.000 1.074 162 T CB -0.413 68.469 68.868 0.023 0.000 0.944 162 T HN 0.443 nan 8.240 nan 0.000 0.516 163 I N 1.560 122.171 120.570 0.068 0.000 2.899 163 I HA -0.010 4.160 4.170 -0.000 0.000 0.257 163 I C 2.841 179.091 176.117 0.222 0.000 1.115 163 I CA 0.796 62.180 61.300 0.140 0.000 1.451 163 I CB -0.192 37.887 38.000 0.133 0.000 1.251 163 I HN 0.307 nan 8.210 nan 0.000 0.456 164 S N 1.655 117.443 115.700 0.147 0.000 2.400 164 S HA -0.078 4.392 4.470 -0.000 0.000 0.232 164 S C -0.592 174.129 174.600 0.203 0.000 1.025 164 S CA 0.972 59.261 58.200 0.148 0.000 0.993 164 S CB -1.952 61.242 63.200 -0.010 0.000 0.808 164 S HN 0.234 nan 8.310 nan 0.000 0.478 165 P HA -0.035 nan 4.420 nan 0.000 0.218 165 P C 1.617 179.009 177.300 0.153 0.000 1.149 165 P CA 0.936 64.123 63.100 0.146 0.000 0.817 165 P CB -0.150 31.619 31.700 0.115 0.000 0.785 166 Q N -1.652 118.220 119.800 0.120 0.000 2.297 166 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 166 Q C 1.436 177.390 176.000 -0.076 0.000 0.981 166 Q CA 1.438 57.245 55.803 0.006 0.000 0.876 166 Q CB -0.590 28.099 28.738 -0.082 0.000 0.921 166 Q HN 0.466 nan 8.270 nan 0.000 0.446 167 Y N -1.189 119.118 120.300 0.011 0.000 2.523 167 Y HA 0.033 4.583 4.550 -0.000 0.000 0.279 167 Y C 1.755 177.651 175.900 -0.007 0.000 1.139 167 Y CA 0.577 58.672 58.100 -0.009 0.000 1.296 167 Y CB 0.521 38.956 38.460 -0.041 0.000 1.045 167 Y HN -0.002 nan 8.280 nan 0.000 0.538 168 L N -2.636 118.681 121.223 0.157 0.000 3.284 168 L HA 0.325 4.665 4.340 -0.000 0.000 0.294 168 L C 2.051 179.042 176.870 0.202 0.000 1.183 168 L CA 0.411 55.344 54.840 0.155 0.000 1.056 168 L CB -0.047 42.076 42.059 0.108 0.000 1.513 168 L HN -0.031 nan 8.230 nan 0.000 0.601 169 A N 1.157 124.092 122.820 0.191 0.000 2.019 169 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 169 A C 1.874 179.597 177.584 0.233 0.000 1.164 169 A CA 1.845 54.048 52.037 0.277 0.000 0.644 169 A CB -0.400 18.765 19.000 0.274 0.000 0.805 169 A HN 0.575 nan 8.150 nan 0.000 0.449 170 D N 0.246 120.739 120.400 0.155 0.000 2.263 170 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 170 D C 1.400 177.759 176.300 0.099 0.000 0.971 170 D CA 0.936 55.006 54.000 0.117 0.000 0.867 170 D CB -0.435 40.415 40.800 0.083 0.000 0.929 170 D HN 0.498 nan 8.370 nan 0.000 0.492 171 L N 0.022 121.309 121.223 0.106 0.000 2.616 171 L HA 0.204 4.544 4.340 -0.000 0.000 0.229 171 L C 0.346 177.185 176.870 -0.052 0.000 1.110 171 L CA -0.182 54.700 54.840 0.071 0.000 0.884 171 L CB 0.903 43.067 42.059 0.175 0.000 1.115 171 L HN -0.180 nan 8.230 nan 0.000 0.481 172 V N -0.790 119.045 119.914 -0.132 0.000 2.472 172 V HA 0.214 4.333 4.120 -0.000 0.000 0.290 172 V C 0.798 176.622 176.094 -0.449 0.000 1.037 172 V CA 0.060 62.113 62.300 -0.411 0.000 0.908 172 V CB 1.863 33.271 31.823 -0.691 0.000 0.985 172 V HN 0.068 nan 8.190 nan 0.000 0.454 173 S N 3.285 118.790 115.700 -0.325 0.000 2.497 173 S HA 0.299 4.769 4.470 -0.000 0.000 0.218 173 S C -0.168 174.412 174.600 -0.033 0.000 1.023 173 S CA 0.183 58.310 58.200 -0.122 0.000 0.913 173 S CB 0.234 63.417 63.200 -0.028 0.000 0.800 173 S HN 0.620 nan 8.310 nan 0.000 0.505 174 F N 0.953 120.704 119.950 -0.332 0.000 2.581 174 F HA 0.674 5.201 4.527 -0.000 0.000 0.311 174 F C -0.506 175.136 175.800 -0.263 0.000 1.113 174 F CA -0.715 57.197 58.000 -0.147 0.000 0.935 174 F CB 1.066 40.055 39.000 -0.018 0.000 1.232 174 F HN -0.042 nan 8.300 nan 0.000 0.445 175 G N 3.232 111.522 108.800 -0.850 0.000 2.513 175 G HA2 0.732 4.692 3.960 -0.000 0.000 0.317 175 G HA3 0.732 4.692 3.960 -0.000 0.000 0.317 175 G C -1.873 172.350 174.900 -1.129 0.000 1.277 175 G CA -0.653 44.014 45.100 -0.722 0.000 0.955 175 G HN 1.004 nan 8.290 nan 0.000 0.484 176 A N 2.197 124.519 122.820 -0.830 0.000 2.350 176 A HA 0.767 5.087 4.320 -0.000 0.000 0.324 176 A C -0.525 176.839 177.584 -0.367 0.000 1.118 176 A CA -0.633 51.082 52.037 -0.537 0.000 0.783 176 A CB 1.044 19.943 19.000 -0.168 0.000 1.236 176 A HN 0.563 nan 8.150 nan 0.000 0.457 177 I N 2.789 123.136 120.570 -0.371 0.000 2.355 177 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 177 I C 1.049 177.105 176.117 -0.101 0.000 0.999 177 I CA -0.066 61.089 61.300 -0.242 0.000 1.163 177 I CB 0.715 38.511 38.000 -0.340 0.000 1.316 177 I HN 0.784 nan 8.210 nan 0.000 0.454 178 G N 3.798 112.553 108.800 -0.075 0.000 2.606 178 G HA2 0.317 4.277 3.960 -0.000 0.000 0.252 178 G HA3 0.317 4.277 3.960 -0.000 0.000 0.252 178 G C 1.046 175.923 174.900 -0.038 0.000 1.206 178 G CA 0.180 45.252 45.100 -0.047 0.000 0.861 178 G HN 0.778 nan 8.290 nan 0.000 0.561 179 A N 0.685 123.487 122.820 -0.031 0.000 1.997 179 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 179 A C 2.375 179.943 177.584 -0.027 0.000 1.172 179 A CA 1.751 53.780 52.037 -0.013 0.000 0.645 179 A CB -0.278 18.713 19.000 -0.015 0.000 0.813 179 A HN 0.659 nan 8.150 nan 0.000 0.454 180 R N -1.206 119.263 120.500 -0.052 0.000 2.275 180 R HA -0.007 4.332 4.340 -0.000 0.000 0.199 180 R C 1.169 177.403 176.300 -0.110 0.000 0.989 180 R CA 1.338 57.400 56.100 -0.064 0.000 1.016 180 R CB -0.006 30.258 30.300 -0.060 0.000 0.918 180 R HN 0.722 nan 8.270 nan 0.000 0.473 181 T N -4.726 109.736 114.554 -0.154 0.000 3.043 181 T HA 0.109 4.459 4.350 -0.000 0.000 0.272 181 T C 1.407 176.043 174.700 -0.106 0.000 0.990 181 T CA -0.194 61.745 62.100 -0.268 0.000 0.897 181 T CB 0.673 69.121 68.868 -0.699 0.000 1.111 181 T HN -0.156 nan 8.240 nan 0.000 0.529 182 T N 2.855 117.413 114.554 0.007 0.000 2.778 182 T HA -0.103 4.246 4.350 -0.000 0.000 0.269 182 T C 1.643 176.339 174.700 -0.008 0.000 1.050 182 T CA 1.521 63.685 62.100 0.106 0.000 1.137 182 T CB -0.235 68.698 68.868 0.108 0.000 0.860 182 T HN 0.569 nan 8.240 nan 0.000 0.468 183 E N 0.819 121.003 120.200 -0.028 0.000 2.358 183 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 183 E C 0.931 177.516 176.600 -0.024 0.000 1.010 183 E CA -0.114 56.264 56.400 -0.038 0.000 0.856 183 E CB 0.156 29.838 29.700 -0.029 0.000 0.795 183 E HN 0.220 nan 8.360 nan 0.000 0.504 184 S N 0.992 116.689 115.700 -0.005 0.000 2.481 184 S HA -0.015 4.455 4.470 -0.000 0.000 0.276 184 S C 0.939 175.578 174.600 0.066 0.000 1.247 184 S CA -0.439 57.788 58.200 0.046 0.000 1.053 184 S CB 1.282 64.534 63.200 0.086 0.000 0.925 184 S HN 0.021 nan 8.310 nan 0.000 0.491 185 Q N 4.232 124.047 119.800 0.025 0.000 2.077 185 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 185 Q C 1.702 177.671 176.000 -0.052 0.000 0.989 185 Q CA 2.227 58.017 55.803 -0.021 0.000 0.853 185 Q CB -0.591 28.139 28.738 -0.013 0.000 0.907 185 Q HN 0.836 nan 8.270 nan 0.000 0.418 186 L N -0.577 120.633 121.223 -0.022 0.000 2.083 186 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 186 L C 1.705 178.418 176.870 -0.261 0.000 1.083 186 L CA 1.995 56.754 54.840 -0.134 0.000 0.752 186 L CB -0.455 41.533 42.059 -0.118 0.000 0.899 186 L HN 0.346 nan 8.230 nan 0.000 0.433 187 H N -1.161 117.836 119.070 -0.120 0.000 2.436 187 H HA 0.058 4.614 4.556 -0.000 0.000 0.294 187 H C 2.300 177.601 175.328 -0.045 0.000 1.048 187 H CA 1.234 57.221 56.048 -0.101 0.000 1.353 187 H CB 0.014 29.759 29.762 -0.028 0.000 1.414 187 H HN 0.249 nan 8.280 nan 0.000 0.536 188 R N 0.618 121.169 120.500 0.085 0.000 2.075 188 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 188 R C 1.991 178.208 176.300 -0.139 0.000 1.126 188 R CA 1.490 57.611 56.100 0.035 0.000 0.963 188 R CB -0.051 30.189 30.300 -0.100 0.000 0.858 188 R HN 0.490 nan 8.270 nan 0.000 0.435 189 E N 0.623 120.637 120.200 -0.310 0.000 2.077 189 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 189 E C 1.967 178.375 176.600 -0.321 0.000 0.989 189 E CA 1.103 57.290 56.400 -0.356 0.000 0.800 189 E CB -0.140 29.419 29.700 -0.236 0.000 0.746 189 E HN 0.135 nan 8.360 nan 0.000 0.452 190 L N 1.007 121.889 121.223 -0.568 0.000 2.017 190 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 190 L C 2.259 178.954 176.870 -0.291 0.000 1.073 190 L CA 2.015 56.415 54.840 -0.733 0.000 0.745 190 L CB -0.547 41.094 42.059 -0.697 0.000 0.894 190 L HN 0.033 nan 8.230 nan 0.000 0.432 191 A N -0.609 122.113 122.820 -0.163 0.000 1.940 191 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 191 A C 2.485 180.041 177.584 -0.047 0.000 1.176 191 A CA 2.027 54.006 52.037 -0.098 0.000 0.631 191 A CB -1.254 17.765 19.000 0.032 0.000 0.814 191 A HN 0.708 nan 8.150 nan 0.000 0.446 192 S N -0.960 114.755 115.700 0.026 0.000 2.469 192 S HA 0.096 4.566 4.470 -0.000 0.000 0.238 192 S C 1.477 176.117 174.600 0.066 0.000 0.998 192 S CA 1.288 59.543 58.200 0.092 0.000 0.957 192 S CB -0.465 62.885 63.200 0.250 0.000 0.764 192 S HN 0.770 nan 8.310 nan 0.000 0.514 193 G N 0.399 109.229 108.800 0.050 0.000 3.453 193 G HA2 0.463 4.423 3.960 -0.000 0.000 0.263 193 G HA3 0.463 4.423 3.960 -0.000 0.000 0.263 193 G C 0.075 174.929 174.900 -0.076 0.000 1.060 193 G CA -0.519 44.609 45.100 0.047 0.000 0.793 193 G HN 0.420 nan 8.290 nan 0.000 0.532 194 L N 0.789 121.882 121.223 -0.216 0.000 2.399 194 L HA 0.257 4.597 4.340 -0.000 0.000 0.266 194 L C 1.001 177.528 176.870 -0.572 0.000 1.114 194 L CA -0.481 54.053 54.840 -0.511 0.000 0.804 194 L CB 1.711 43.267 42.059 -0.837 0.000 1.146 194 L HN -0.044 nan 8.230 nan 0.000 0.451 195 S N 1.976 117.262 115.700 -0.691 0.000 2.743 195 S HA 0.242 4.712 4.470 -0.000 0.000 0.230 195 S C -0.458 174.096 174.600 -0.077 0.000 0.950 195 S CA -0.106 57.940 58.200 -0.256 0.000 0.976 195 S CB -0.729 62.472 63.200 0.002 0.000 0.779 195 S HN 0.450 nan 8.310 nan 0.000 0.487 196 F N -2.133 117.858 119.950 0.069 0.000 2.741 196 F HA 0.641 5.168 4.527 -0.000 0.000 0.313 196 F C -3.490 172.378 175.800 0.114 0.000 1.153 196 F CA -3.255 54.798 58.000 0.088 0.000 0.931 196 F CB -0.098 38.932 39.000 0.051 0.000 1.335 196 F HN -0.344 nan 8.300 nan 0.000 0.460 197 P HA 0.314 nan 4.420 nan 0.000 0.268 197 P C -1.053 176.422 177.300 0.293 0.000 1.205 197 P CA -0.184 63.158 63.100 0.404 0.000 0.771 197 P CB 1.158 33.158 31.700 0.501 0.000 0.858 198 V N 3.026 122.969 119.914 0.049 0.000 2.531 198 V HA 0.600 4.719 4.120 -0.000 0.000 0.301 198 V C 0.581 176.273 176.094 -0.670 0.000 1.034 198 V CA -0.536 61.565 62.300 -0.331 0.000 0.865 198 V CB 1.917 33.502 31.823 -0.396 0.000 0.995 198 V HN 0.696 nan 8.190 nan 0.000 0.424 199 G N 3.357 111.664 108.800 -0.821 0.000 2.322 199 G HA2 0.612 4.572 3.960 -0.000 0.000 0.309 199 G HA3 0.612 4.572 3.960 -0.000 0.000 0.309 199 G C -1.046 173.515 174.900 -0.566 0.000 1.121 199 G CA -0.243 44.272 45.100 -0.976 0.000 0.886 199 G HN 0.416 nan 8.290 nan 0.000 0.447 200 F N 1.565 121.363 119.950 -0.254 0.000 2.405 200 F HA 0.360 4.887 4.527 0.000 0.000 0.355 200 F C 1.024 176.798 175.800 -0.043 0.000 1.121 200 F CA -0.507 57.426 58.000 -0.113 0.000 1.112 200 F CB 1.804 40.757 39.000 -0.077 0.000 1.126 200 F HN 0.204 nan 8.300 nan 0.000 0.481 201 K N 3.364 123.844 120.400 0.134 0.000 2.237 201 K HA 0.111 4.431 4.320 -0.000 0.000 0.270 201 K C 0.335 176.998 176.600 0.105 0.000 1.015 201 K CA -0.613 55.738 56.287 0.107 0.000 0.949 201 K CB 0.489 33.022 32.500 0.055 0.000 0.976 201 K HN 0.711 nan 8.250 nan 0.000 0.472 202 N N 0.460 119.215 118.700 0.092 0.000 2.453 202 N HA -0.014 4.726 4.740 -0.000 0.000 0.253 202 N C 0.225 175.764 175.510 0.049 0.000 1.252 202 N CA -0.463 52.629 53.050 0.070 0.000 0.917 202 N CB 0.484 39.015 38.487 0.074 0.000 1.117 202 N HN 0.545 nan 8.380 nan 0.000 0.442 203 G N -0.146 108.674 108.800 0.034 0.000 2.630 203 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.236 203 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.236 203 G C 1.352 176.266 174.900 0.024 0.000 1.248 203 G CA 0.156 45.269 45.100 0.021 0.000 0.844 203 G HN 0.780 nan 8.290 nan 0.000 0.588 204 T N -1.447 113.116 114.554 0.016 0.000 2.881 204 T HA -0.185 4.165 4.350 -0.000 0.000 0.270 204 T C 1.673 176.387 174.700 0.024 0.000 1.068 204 T CA 1.721 63.833 62.100 0.020 0.000 1.131 204 T CB -0.238 68.638 68.868 0.013 0.000 0.871 204 T HN 0.601 nan 8.240 nan 0.000 0.479 205 D N 1.427 121.839 120.400 0.020 0.000 2.310 205 D HA 0.168 4.807 4.640 -0.000 0.000 0.212 205 D C 1.726 178.040 176.300 0.024 0.000 0.965 205 D CA 0.864 54.875 54.000 0.019 0.000 0.879 205 D CB -0.927 39.881 40.800 0.013 0.000 0.921 205 D HN 0.665 nan 8.370 nan 0.000 0.510 206 G N -0.514 108.304 108.800 0.030 0.000 2.159 206 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.227 206 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.227 206 G C 0.375 175.296 174.900 0.035 0.000 0.986 206 G CA 0.337 45.460 45.100 0.037 0.000 0.651 206 G HN 0.833 nan 8.290 nan 0.000 0.523 207 T N -1.017 113.553 114.554 0.028 0.000 2.928 207 T HA 0.685 5.035 4.350 -0.000 0.000 0.284 207 T C 1.450 176.168 174.700 0.030 0.000 1.008 207 T CA -0.169 61.947 62.100 0.026 0.000 1.057 207 T CB 1.768 70.646 68.868 0.017 0.000 1.018 207 T HN 1.066 nan 8.240 nan 0.000 0.493 208 L N -0.453 120.788 121.223 0.031 0.000 2.731 208 L HA 0.469 4.809 4.340 -0.000 0.000 0.240 208 L C 1.599 178.483 176.870 0.022 0.000 1.120 208 L CA -0.366 54.496 54.840 0.037 0.000 0.913 208 L CB -0.683 41.408 42.059 0.053 0.000 1.213 208 L HN 0.434 nan 8.230 nan 0.000 0.515 209 N N 2.159 120.867 118.700 0.013 0.000 2.091 209 N HA -0.222 4.518 4.740 -0.000 0.000 0.193 209 N C 2.056 177.556 175.510 -0.017 0.000 1.021 209 N CA 2.139 55.190 53.050 0.002 0.000 0.862 209 N CB -0.840 37.648 38.487 0.002 0.000 1.018 209 N HN 0.500 nan 8.380 nan 0.000 0.429 210 V N -1.765 118.137 119.914 -0.019 0.000 2.392 210 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 210 V C 2.056 178.100 176.094 -0.083 0.000 1.059 210 V CA 1.882 64.155 62.300 -0.045 0.000 1.051 210 V CB -1.191 30.614 31.823 -0.030 0.000 0.658 210 V HN 0.311 nan 8.190 nan 0.000 0.455 211 A N 0.045 122.840 122.820 -0.041 0.000 1.970 211 A HA 0.051 4.370 4.320 -0.000 0.000 0.216 211 A C 2.326 179.862 177.584 -0.080 0.000 1.170 211 A CA 1.649 53.657 52.037 -0.048 0.000 0.645 211 A CB -0.622 18.419 19.000 0.069 0.000 0.816 211 A HN 0.452 nan 8.150 nan 0.000 0.447 212 V N 0.904 120.800 119.914 -0.031 0.000 2.295 212 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 212 V C 2.093 178.149 176.094 -0.063 0.000 1.049 212 V CA 2.270 64.559 62.300 -0.018 0.000 1.024 212 V CB -0.831 30.998 31.823 0.010 0.000 0.648 212 V HN 0.488 nan 8.190 nan 0.000 0.447 213 D N 0.565 120.918 120.400 -0.079 0.000 2.182 213 D HA -0.141 4.498 4.640 -0.000 0.000 0.201 213 D C 2.168 178.359 176.300 -0.182 0.000 0.986 213 D CA 1.624 55.569 54.000 -0.091 0.000 0.847 213 D CB -0.322 40.433 40.800 -0.076 0.000 0.942 213 D HN 0.469 nan 8.370 nan 0.000 0.467 214 A N 0.351 122.955 122.820 -0.361 0.000 1.898 214 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 214 A C 2.532 179.719 177.584 -0.662 0.000 1.181 214 A CA 1.148 52.740 52.037 -0.743 0.000 0.620 214 A CB -0.893 17.214 19.000 -1.488 0.000 0.819 214 A HN 0.344 nan 8.150 nan 0.000 0.442 215 C N -0.467 118.585 119.300 -0.413 0.000 2.413 215 C HA -0.142 4.318 4.460 -0.000 0.000 0.276 215 C C 2.939 177.925 174.990 -0.007 0.000 1.236 215 C CA 1.163 60.140 59.018 -0.070 0.000 1.735 215 C CB -1.250 26.525 27.740 0.058 0.000 2.031 215 C HN 0.624 nan 8.230 nan 0.000 0.474 216 Q N 0.981 120.774 119.800 -0.011 0.000 2.030 216 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 216 Q C 2.589 178.679 176.000 0.150 0.000 0.986 216 Q CA 1.969 57.804 55.803 0.054 0.000 0.843 216 Q CB -0.809 27.967 28.738 0.064 0.000 0.904 216 Q HN 0.739 nan 8.270 nan 0.000 0.420 217 A N 1.625 124.517 122.820 0.120 0.000 1.865 217 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 217 A C 2.388 180.171 177.584 0.332 0.000 1.191 217 A CA 2.167 54.344 52.037 0.234 0.000 0.623 217 A CB -0.860 18.178 19.000 0.063 0.000 0.826 217 A HN 0.412 nan 8.150 nan 0.000 0.444 218 A N -0.570 122.342 122.820 0.152 0.000 2.070 218 A HA 0.245 4.565 4.320 -0.000 0.000 0.220 218 A C 2.271 179.958 177.584 0.172 0.000 1.159 218 A CA 1.675 53.825 52.037 0.188 0.000 0.656 218 A CB -0.749 18.398 19.000 0.245 0.000 0.800 218 A HN 1.107 nan 8.150 nan 0.000 0.453 219 A N -1.088 121.789 122.820 0.094 0.000 2.168 219 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 219 A C 0.836 178.331 177.584 -0.147 0.000 1.152 219 A CA 0.592 52.592 52.037 -0.060 0.000 0.716 219 A CB -0.406 18.496 19.000 -0.164 0.000 0.794 219 A HN 0.676 nan 8.150 nan 0.000 0.465 220 H N -1.432 117.673 119.070 0.059 0.000 2.544 220 H HA 0.491 5.047 4.556 -0.000 0.000 0.342 220 H C 0.326 175.612 175.328 -0.069 0.000 1.185 220 H CA 0.062 56.084 56.048 -0.045 0.000 1.264 220 H CB 1.159 30.834 29.762 -0.145 0.000 1.607 220 H HN 0.151 nan 8.280 nan 0.000 0.550 221 S N 1.055 116.760 115.700 0.008 0.000 2.548 221 S HA 0.160 4.630 4.470 -0.000 0.000 0.277 221 S C -0.712 173.790 174.600 -0.163 0.000 1.315 221 S CA -0.404 57.790 58.200 -0.009 0.000 1.050 221 S CB 0.052 63.253 63.200 0.001 0.000 0.918 221 S HN 0.554 nan 8.310 nan 0.000 0.497 222 H N 1.792 120.940 119.070 0.131 0.000 2.906 222 H HA 0.447 5.003 4.556 -0.000 0.000 0.337 222 H C -0.861 174.559 175.328 0.153 0.000 1.257 222 H CA -0.668 55.489 56.048 0.183 0.000 1.192 222 H CB 1.519 31.393 29.762 0.188 0.000 1.912 222 H HN 0.706 nan 8.280 nan 0.000 0.573 223 H N 0.745 119.947 119.070 0.219 0.000 2.609 223 H HA 0.248 4.804 4.556 -0.000 0.000 0.344 223 H C -0.987 174.427 175.328 0.144 0.000 1.040 223 H CA -0.433 55.662 56.048 0.079 0.000 1.216 223 H CB 1.666 31.446 29.762 0.030 0.000 1.529 223 H HN 0.377 nan 8.280 nan 0.000 0.519 224 F N 0.346 120.349 119.950 0.088 0.000 2.629 224 F HA 0.503 5.029 4.527 -0.001 0.000 0.316 224 F C -0.849 174.964 175.800 0.021 0.000 1.081 224 F CA -1.527 56.499 58.000 0.042 0.000 0.954 224 F CB 1.208 40.205 39.000 -0.006 0.000 1.337 224 F HN 0.139 nan 8.300 nan 0.000 0.474 225 M N 2.938 122.642 119.600 0.173 0.000 2.341 225 M HA 0.364 4.844 4.480 -0.000 0.000 0.336 225 M C 0.197 176.604 176.300 0.179 0.000 1.489 225 M CA 0.031 55.381 55.300 0.083 0.000 1.278 225 M CB -0.454 32.204 32.600 0.097 0.000 1.657 225 M HN 0.988 nan 8.290 nan 0.000 0.455 226 G N 2.563 111.352 108.800 -0.019 0.000 2.938 226 G HA2 0.795 4.755 3.960 -0.000 0.000 0.258 226 G HA3 0.795 4.755 3.960 -0.000 0.000 0.258 226 G C -0.753 174.161 174.900 0.024 0.000 1.356 226 G CA -0.591 44.562 45.100 0.087 0.000 1.052 226 G HN 0.601 nan 8.290 nan 0.000 0.550 227 V N -1.995 117.937 119.914 0.030 0.000 2.769 227 V HA 0.811 4.930 4.120 -0.000 0.000 0.312 227 V C 0.409 176.477 176.094 -0.044 0.000 1.061 227 V CA -0.181 62.118 62.300 -0.001 0.000 0.931 227 V CB 0.974 32.811 31.823 0.025 0.000 1.010 227 V HN 1.136 nan 8.190 nan 0.000 0.433 228 T N 0.406 114.925 114.554 -0.058 0.000 2.788 228 T HA 0.363 4.713 4.350 -0.000 0.000 0.280 228 T C 0.893 175.517 174.700 -0.126 0.000 0.984 228 T CA -0.432 61.611 62.100 -0.095 0.000 0.972 228 T CB 0.813 69.631 68.868 -0.084 0.000 1.039 228 T HN 0.690 nan 8.240 nan 0.000 0.530 229 K N -0.007 120.273 120.400 -0.200 0.000 2.280 229 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 229 K C 1.690 178.183 176.600 -0.179 0.000 1.047 229 K CA 1.396 57.538 56.287 -0.242 0.000 0.942 229 K CB -0.436 31.887 32.500 -0.295 0.000 0.739 229 K HN 0.757 nan 8.250 nan 0.000 0.457 230 H N -0.999 118.028 119.070 -0.070 0.000 2.526 230 H HA 0.112 4.668 4.556 -0.000 0.000 0.274 230 H C 0.811 176.115 175.328 -0.041 0.000 0.999 230 H CA 0.104 56.122 56.048 -0.051 0.000 1.157 230 H CB 0.494 30.235 29.762 -0.035 0.000 1.407 230 H HN 0.388 nan 8.280 nan 0.000 0.568 231 G N 0.787 109.611 108.800 0.039 0.000 2.131 231 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 231 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 231 G C -0.170 174.754 174.900 0.039 0.000 0.990 231 G CA 0.108 45.228 45.100 0.034 0.000 0.671 231 G HN 0.197 nan 8.290 nan 0.000 0.521 232 V N 0.829 120.760 119.914 0.029 0.000 2.483 232 V HA 0.787 4.907 4.120 -0.000 0.000 0.295 232 V C 0.962 177.059 176.094 0.005 0.000 1.035 232 V CA -0.342 61.969 62.300 0.019 0.000 0.896 232 V CB 1.647 33.483 31.823 0.021 0.000 0.986 232 V HN 1.147 nan 8.190 nan 0.000 0.447 233 A N 3.841 126.665 122.820 0.007 0.000 2.477 233 A HA 0.740 5.060 4.320 -0.000 0.000 0.246 233 A C 0.295 177.869 177.584 -0.016 0.000 1.078 233 A CA 0.495 52.533 52.037 0.002 0.000 0.770 233 A CB 0.146 19.153 19.000 0.011 0.000 1.011 233 A HN 1.556 nan 8.150 nan 0.000 0.494 234 A N 2.241 125.038 122.820 -0.038 0.000 2.594 234 A HA 0.642 4.961 4.320 -0.000 0.000 0.295 234 A C -0.615 176.911 177.584 -0.098 0.000 1.071 234 A CA -0.663 51.338 52.037 -0.060 0.000 0.685 234 A CB 0.643 19.600 19.000 -0.072 0.000 1.285 234 A HN 0.763 nan 8.150 nan 0.000 0.405 235 I N 1.785 122.304 120.570 -0.084 0.000 2.517 235 I HA 0.239 4.409 4.170 -0.000 0.000 0.285 235 I C 0.051 176.041 176.117 -0.211 0.000 1.106 235 I CA 0.676 61.914 61.300 -0.103 0.000 1.402 235 I CB 1.000 38.999 38.000 -0.002 0.000 1.399 235 I HN 0.521 nan 8.210 nan 0.000 0.535 236 T N 4.535 118.850 114.554 -0.398 0.000 2.772 236 T HA 0.302 4.652 4.350 -0.000 0.000 0.288 236 T C 0.034 174.393 174.700 -0.568 0.000 0.994 236 T CA -0.559 61.207 62.100 -0.556 0.000 0.951 236 T CB 0.927 69.220 68.868 -0.959 0.000 0.933 236 T HN 0.469 nan 8.240 nan 0.000 0.447 237 T N 3.717 117.990 114.554 -0.467 0.000 2.767 237 T HA 0.580 4.930 4.350 -0.000 0.000 0.284 237 T C 0.668 175.216 174.700 -0.253 0.000 0.973 237 T CA -0.667 61.120 62.100 -0.522 0.000 0.996 237 T CB 0.960 69.517 68.868 -0.518 0.000 0.927 237 T HN 0.749 nan 8.240 nan 0.000 0.456 238 T N 0.088 114.566 114.554 -0.126 0.000 2.950 238 T HA 0.486 4.836 4.350 -0.000 0.000 0.288 238 T C 0.997 175.694 174.700 -0.005 0.000 1.035 238 T CA -0.974 61.123 62.100 -0.005 0.000 1.028 238 T CB 1.930 70.885 68.868 0.144 0.000 1.109 238 T HN 0.470 nan 8.240 nan 0.000 0.514 239 K N 0.280 120.681 120.400 0.002 0.000 2.262 239 K HA 0.327 4.647 4.320 -0.000 0.000 0.200 239 K C 0.838 177.441 176.600 0.004 0.000 1.049 239 K CA 0.735 57.019 56.287 -0.006 0.000 0.979 239 K CB -0.539 31.949 32.500 -0.020 0.000 0.773 239 K HN 1.175 nan 8.250 nan 0.000 0.474 240 G N 1.207 110.027 108.800 0.033 0.000 2.712 240 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 240 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 240 G C -1.476 173.415 174.900 -0.015 0.000 1.181 240 G CA -0.653 44.466 45.100 0.032 0.000 0.762 240 G HN 0.289 nan 8.290 nan 0.000 0.641 241 N N 0.895 119.591 118.700 -0.008 0.000 2.442 241 N HA 0.343 5.083 4.740 -0.000 0.000 0.274 241 N C 1.170 176.641 175.510 -0.064 0.000 1.002 241 N CA -0.260 52.766 53.050 -0.041 0.000 0.910 241 N CB 1.434 39.922 38.487 0.000 0.000 1.244 241 N HN 0.725 nan 8.380 nan 0.000 0.492 242 E N 2.591 122.666 120.200 -0.208 0.000 2.479 242 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 242 E C -0.404 176.144 176.600 -0.086 0.000 1.049 242 E CA 0.523 56.803 56.400 -0.201 0.000 0.870 242 E CB -0.326 29.201 29.700 -0.288 0.000 0.944 242 E HN 0.656 nan 8.360 nan 0.000 0.492 243 H N -0.030 119.112 119.070 0.119 0.000 2.490 243 H HA 0.320 4.876 4.556 -0.000 0.000 0.285 243 H C -0.489 175.002 175.328 0.272 0.000 1.127 243 H CA -0.826 55.333 56.048 0.186 0.000 0.993 243 H CB 0.180 30.044 29.762 0.169 0.000 1.653 243 H HN 0.082 nan 8.280 nan 0.000 0.557 244 C N 1.528 121.019 119.300 0.319 0.000 2.370 244 C HA 0.562 5.021 4.460 -0.000 0.000 0.354 244 C C -0.033 175.185 174.990 0.380 0.000 1.218 244 C CA -0.659 58.519 59.018 0.267 0.000 2.154 244 C CB -0.611 27.308 27.740 0.298 0.000 2.391 244 C HN 0.592 nan 8.230 nan 0.000 0.540 245 F N -0.454 119.647 119.950 0.252 0.000 2.715 245 F HA 0.819 5.346 4.527 -0.000 0.000 0.318 245 F C -1.015 174.934 175.800 0.249 0.000 1.141 245 F CA -1.296 56.833 58.000 0.216 0.000 0.950 245 F CB 0.388 39.490 39.000 0.172 0.000 1.374 245 F HN 0.235 nan 8.300 nan 0.000 0.477 246 V N 2.272 122.417 119.914 0.384 0.000 2.539 246 V HA 0.470 4.590 4.120 -0.000 0.000 0.292 246 V C -0.186 176.106 176.094 0.329 0.000 1.045 246 V CA -0.618 61.845 62.300 0.272 0.000 0.945 246 V CB 1.588 33.536 31.823 0.208 0.000 0.993 246 V HN 0.613 nan 8.190 nan 0.000 0.464 247 I N 5.152 125.864 120.570 0.236 0.000 2.418 247 I HA 0.396 4.565 4.170 -0.000 0.000 0.287 247 I C -0.612 175.612 176.117 0.178 0.000 1.008 247 I CA -0.410 61.031 61.300 0.235 0.000 1.104 247 I CB 1.708 39.837 38.000 0.215 0.000 1.264 247 I HN 0.339 nan 8.210 nan 0.000 0.438 248 L N 7.165 128.495 121.223 0.179 0.000 2.265 248 L HA 0.400 4.740 4.340 -0.000 0.000 0.288 248 L C 0.512 177.486 176.870 0.174 0.000 1.058 248 L CA -0.341 54.597 54.840 0.163 0.000 0.809 248 L CB 0.527 42.684 42.059 0.163 0.000 1.179 248 L HN 0.692 nan 8.230 nan 0.000 0.429 249 R N 1.365 121.957 120.500 0.154 0.000 2.569 249 R HA 0.465 4.804 4.340 -0.000 0.000 0.422 249 R C 0.274 176.669 176.300 0.157 0.000 0.980 249 R CA -0.083 56.114 56.100 0.162 0.000 1.164 249 R CB 0.005 30.377 30.300 0.120 0.000 1.520 249 R HN 0.643 nan 8.270 nan 0.000 0.567 250 G N -0.702 108.186 108.800 0.147 0.000 2.698 250 G HA2 0.246 4.206 3.960 -0.000 0.000 0.233 250 G HA3 0.246 4.206 3.960 -0.000 0.000 0.233 250 G C 0.240 175.193 174.900 0.090 0.000 1.352 250 G CA -0.152 45.023 45.100 0.124 0.000 0.879 250 G HN 1.248 nan 8.290 nan 0.000 0.567 251 G N -1.733 107.113 108.800 0.077 0.000 2.334 251 G HA2 0.488 4.447 3.960 -0.000 0.000 0.249 251 G HA3 0.488 4.447 3.960 -0.000 0.000 0.249 251 G C -0.113 174.814 174.900 0.045 0.000 1.327 251 G CA 0.296 45.431 45.100 0.059 0.000 0.979 251 G HN 0.989 nan 8.290 nan 0.000 0.471 255 T N -0.813 113.750 114.554 0.015 0.000 2.855 255 T HA 0.392 4.742 4.350 -0.000 0.000 0.314 255 T C 0.451 175.123 174.700 -0.046 0.000 1.077 255 T CA 0.682 62.803 62.100 0.035 0.000 1.095 255 T CB 1.039 69.941 68.868 0.057 0.000 0.987 255 T HN 1.354 nan 8.240 nan 0.000 0.546 256 N N -0.014 118.698 118.700 0.021 0.000 2.547 256 N HA 0.066 4.806 4.740 -0.000 0.000 0.285 256 N C -0.176 175.373 175.510 0.064 0.000 1.600 256 N CA -0.792 52.259 53.050 0.002 0.000 0.872 256 N CB -0.641 37.875 38.487 0.048 0.000 1.412 256 N HN 0.881 nan 8.380 nan 0.000 0.489 257 Y N -1.348 118.972 120.300 0.033 0.000 2.444 257 Y HA 0.387 4.937 4.550 -0.000 0.000 0.249 257 Y C 0.142 176.049 175.900 0.011 0.000 1.134 257 Y CA -1.094 57.025 58.100 0.032 0.000 1.261 257 Y CB -0.125 38.346 38.460 0.017 0.000 1.143 257 Y HN 0.027 nan 8.280 nan 0.000 0.523 258 D N 1.200 121.449 120.400 -0.251 0.000 2.358 258 D HA 0.160 4.800 4.640 -0.000 0.000 0.244 258 D C 1.154 177.423 176.300 -0.052 0.000 1.163 258 D CA 0.357 54.263 54.000 -0.157 0.000 0.945 258 D CB 2.034 42.676 40.800 -0.264 0.000 1.152 258 D HN 0.232 nan 8.370 nan 0.000 0.451 259 A N 1.253 124.056 122.820 -0.028 0.000 1.969 259 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 259 A C 2.174 179.753 177.584 -0.009 0.000 1.169 259 A CA 1.700 53.735 52.037 -0.005 0.000 0.635 259 A CB -0.602 18.397 19.000 -0.001 0.000 0.810 259 A HN 0.749 nan 8.150 nan 0.000 0.445 260 K N -0.128 120.256 120.400 -0.025 0.000 2.025 260 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 260 K C 2.188 178.779 176.600 -0.016 0.000 1.049 260 K CA 1.602 57.877 56.287 -0.021 0.000 0.933 260 K CB -0.215 32.267 32.500 -0.031 0.000 0.714 260 K HN 0.393 nan 8.250 nan 0.000 0.438 261 S N 0.550 116.232 115.700 -0.030 0.000 2.359 261 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 261 S C 1.965 176.574 174.600 0.013 0.000 1.035 261 S CA 1.471 59.662 58.200 -0.015 0.000 1.018 261 S CB -0.283 62.895 63.200 -0.036 0.000 0.876 261 S HN 0.151 nan 8.310 nan 0.000 0.448 262 V N 2.060 121.987 119.914 0.021 0.000 2.332 262 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 262 V C 2.632 178.746 176.094 0.033 0.000 1.055 262 V CA 1.705 64.029 62.300 0.040 0.000 1.038 262 V CB -1.255 30.598 31.823 0.049 0.000 0.651 262 V HN 0.553 nan 8.190 nan 0.000 0.450 263 A N -0.195 122.637 122.820 0.021 0.000 1.902 263 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 263 A C 2.160 179.755 177.584 0.020 0.000 1.181 263 A CA 1.876 53.924 52.037 0.018 0.000 0.623 263 A CB -0.445 18.561 19.000 0.010 0.000 0.818 263 A HN 0.641 nan 8.150 nan 0.000 0.443 264 E N -0.184 120.026 120.200 0.017 0.000 2.150 264 E HA -0.016 4.333 4.350 -0.000 0.000 0.193 264 E C 2.236 178.852 176.600 0.027 0.000 0.985 264 E CA 0.717 57.128 56.400 0.018 0.000 0.814 264 E CB -0.250 29.458 29.700 0.012 0.000 0.752 264 E HN 0.630 nan 8.360 nan 0.000 0.466 265 A N 2.003 124.844 122.820 0.035 0.000 1.841 265 A HA -0.207 4.113 4.320 -0.000 0.000 0.214 265 A C 1.963 179.575 177.584 0.048 0.000 1.195 265 A CA 1.420 53.485 52.037 0.047 0.000 0.611 265 A CB -0.315 18.722 19.000 0.062 0.000 0.835 265 A HN 0.022 nan 8.150 nan 0.000 0.443 266 K N -0.092 120.335 120.400 0.046 0.000 2.127 266 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 266 K C 2.102 178.723 176.600 0.035 0.000 1.047 266 K CA 1.304 57.616 56.287 0.042 0.000 0.927 266 K CB -0.388 32.135 32.500 0.037 0.000 0.716 266 K HN 0.462 nan 8.250 nan 0.000 0.450 267 A N 1.135 123.973 122.820 0.029 0.000 2.070 267 A HA -0.198 4.121 4.320 -0.000 0.000 0.220 267 A C 1.769 179.368 177.584 0.026 0.000 1.159 267 A CA 1.259 53.311 52.037 0.024 0.000 0.656 267 A CB -0.253 18.758 19.000 0.019 0.000 0.800 267 A HN 0.353 nan 8.150 nan 0.000 0.453 268 Q N -0.739 119.079 119.800 0.030 0.000 2.424 268 Q HA 0.258 4.597 4.340 -0.000 0.000 0.204 268 Q C -0.307 175.713 176.000 0.035 0.000 0.933 268 Q CA -0.091 55.730 55.803 0.030 0.000 0.929 268 Q CB 0.106 28.862 28.738 0.030 0.000 1.037 268 Q HN 0.560 nan 8.270 nan 0.000 0.511 269 L N 2.754 124.001 121.223 0.041 0.000 2.290 269 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 269 L C -2.080 174.814 176.870 0.040 0.000 1.078 269 L CA -2.030 52.839 54.840 0.048 0.000 0.815 269 L CB 0.243 42.337 42.059 0.058 0.000 1.162 269 L HN -0.099 nan 8.230 nan 0.000 0.435 270 P HA 0.119 nan 4.420 nan 0.000 0.272 270 P C -0.443 176.878 177.300 0.035 0.000 1.240 270 P CA -0.486 62.633 63.100 0.033 0.000 0.791 270 P CB 0.540 32.260 31.700 0.032 0.000 0.978 271 A N 1.272 124.109 122.820 0.029 0.000 2.561 271 A HA 0.387 4.706 4.320 -0.000 0.000 0.234 271 A C 1.405 179.007 177.584 0.031 0.000 1.055 271 A CA 0.745 52.799 52.037 0.028 0.000 0.756 271 A CB -1.442 17.572 19.000 0.023 0.000 0.986 271 A HN 0.959 nan 8.150 nan 0.000 0.505 272 G N 1.374 110.194 108.800 0.033 0.000 2.136 272 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.242 272 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.242 272 G C 0.409 175.339 174.900 0.051 0.000 0.989 272 G CA 0.372 45.494 45.100 0.037 0.000 0.682 272 G HN 1.107 nan 8.290 nan 0.000 0.522 273 S N 0.518 116.252 115.700 0.057 0.000 2.601 273 S HA 0.476 4.945 4.470 -0.000 0.000 0.271 273 S C 0.739 175.393 174.600 0.091 0.000 1.305 273 S CA -0.647 57.600 58.200 0.079 0.000 1.022 273 S CB 0.576 63.824 63.200 0.080 0.000 0.940 273 S HN 0.444 nan 8.310 nan 0.000 0.525 274 N N 1.079 119.857 118.700 0.129 0.000 2.467 274 N HA 0.220 4.960 4.740 -0.000 0.000 0.262 274 N C 0.583 176.154 175.510 0.102 0.000 1.234 274 N CA -0.032 53.096 53.050 0.130 0.000 0.952 274 N CB 0.302 38.921 38.487 0.219 0.000 1.158 274 N HN 0.693 nan 8.380 nan 0.000 0.463 275 G N 0.070 108.887 108.800 0.028 0.000 2.664 275 G HA2 0.284 4.244 3.960 -0.000 0.000 0.242 275 G HA3 0.284 4.244 3.960 -0.000 0.000 0.242 275 G C 0.202 175.120 174.900 0.031 0.000 1.225 275 G CA -0.409 44.694 45.100 0.004 0.000 0.849 275 G HN 0.406 nan 8.290 nan 0.000 0.581 276 L N 0.329 121.588 121.223 0.060 0.000 2.418 276 L HA 0.471 4.811 4.340 -0.000 0.000 0.265 276 L C 0.549 177.470 176.870 0.085 0.000 1.143 276 L CA -0.364 54.551 54.840 0.123 0.000 0.809 276 L CB 1.428 43.554 42.059 0.112 0.000 1.124 276 L HN 0.477 nan 8.230 nan 0.000 0.456 277 M N 3.098 122.812 119.600 0.190 0.000 2.456 277 M HA 0.563 5.043 4.480 -0.000 0.000 0.324 277 M C -1.391 175.012 176.300 0.171 0.000 1.124 277 M CA -0.422 54.968 55.300 0.150 0.000 0.959 277 M CB 1.933 34.699 32.600 0.277 0.000 1.692 277 M HN 0.422 nan 8.290 nan 0.000 0.444 278 I N 3.035 123.688 120.570 0.138 0.000 2.406 278 I HA 0.280 4.449 4.170 -0.000 0.000 0.290 278 I C -0.807 175.406 176.117 0.161 0.000 0.999 278 I CA -0.803 60.610 61.300 0.187 0.000 1.124 278 I CB 1.658 39.809 38.000 0.251 0.000 1.289 278 I HN 0.595 nan 8.210 nan 0.000 0.441 279 D N 5.298 125.809 120.400 0.185 0.000 2.317 279 D HA 0.090 4.730 4.640 -0.000 0.000 0.252 279 D C 0.452 176.920 176.300 0.281 0.000 1.174 279 D CA 0.063 54.167 54.000 0.173 0.000 0.866 279 D CB 0.815 41.736 40.800 0.201 0.000 1.127 279 D HN 0.279 nan 8.370 nan 0.000 0.467 280 Y N 1.499 121.792 120.300 -0.012 0.000 2.457 280 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 280 Y C 1.770 177.622 175.900 -0.079 0.000 1.125 280 Y CA 0.033 58.074 58.100 -0.098 0.000 1.254 280 Y CB -0.486 37.910 38.460 -0.107 0.000 1.012 280 Y HN 0.228 nan 8.280 nan 0.000 0.555 281 S N -2.167 113.609 115.700 0.127 0.000 2.647 281 S HA 0.400 4.870 4.470 -0.000 0.000 0.284 281 S C -0.251 174.380 174.600 0.051 0.000 1.134 281 S CA 0.116 58.302 58.200 -0.024 0.000 1.027 281 S CB 0.331 63.362 63.200 -0.281 0.000 1.180 281 S HN 0.541 nan 8.310 nan 0.000 0.521 282 H N -0.730 118.376 119.070 0.061 0.000 1.452 282 H HA -0.229 4.327 4.556 -0.000 0.000 0.090 282 H C 1.447 176.817 175.328 0.069 0.000 0.692 282 H CA 1.226 57.309 56.048 0.059 0.000 1.901 282 H CB -1.574 28.219 29.762 0.052 0.000 2.257 282 H HN 0.698 nan 8.280 nan 0.000 0.961 283 G N -0.252 108.686 108.800 0.231 0.000 2.450 283 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 283 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 283 G C 1.292 176.286 174.900 0.157 0.000 1.130 283 G CA 1.264 46.457 45.100 0.154 0.000 0.760 283 G HN 0.530 nan 8.290 nan 0.000 0.557 284 N N 0.531 119.342 118.700 0.185 0.000 2.453 284 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 284 N C 2.211 177.802 175.510 0.136 0.000 1.041 284 N CA 1.292 54.471 53.050 0.215 0.000 0.900 284 N CB 0.043 38.667 38.487 0.228 0.000 0.961 284 N HN 0.463 nan 8.380 nan 0.000 0.443 285 S N 0.135 115.882 115.700 0.078 0.000 2.554 285 S HA 0.002 4.472 4.470 -0.000 0.000 0.226 285 S C -0.158 174.467 174.600 0.040 0.000 0.980 285 S CA -0.630 57.587 58.200 0.027 0.000 0.939 285 S CB -0.951 62.246 63.200 -0.004 0.000 0.832 285 S HN 0.439 nan 8.310 nan 0.000 0.486 286 N N 2.044 120.785 118.700 0.069 0.000 2.816 286 N HA -0.261 4.479 4.740 -0.000 0.000 0.308 286 N C -0.272 175.261 175.510 0.038 0.000 1.147 286 N CA 0.715 53.800 53.050 0.058 0.000 0.763 286 N CB -0.984 37.537 38.487 0.057 0.000 1.008 286 N HN 0.543 nan 8.380 nan 0.000 0.582 287 K N -1.560 118.867 120.400 0.046 0.000 3.048 287 K HA -0.245 4.075 4.320 -0.000 0.000 0.274 287 K C -0.889 175.734 176.600 0.038 0.000 1.098 287 K CA 1.652 57.966 56.287 0.045 0.000 0.807 287 K CB -0.743 31.781 32.500 0.040 0.000 1.217 287 K HN 0.793 nan 8.250 nan 0.000 0.477 288 D N -0.621 119.792 120.400 0.022 0.000 2.470 288 D HA 0.125 4.765 4.640 -0.000 0.000 0.233 288 D C 0.639 176.904 176.300 -0.057 0.000 1.372 288 D CA -0.761 53.219 54.000 -0.033 0.000 0.994 288 D CB 0.399 41.140 40.800 -0.099 0.000 1.377 288 D HN -0.003 nan 8.370 nan 0.000 0.586 289 F N 2.947 122.880 119.950 -0.028 0.000 2.307 289 F HA -0.026 4.500 4.527 -0.000 0.000 0.301 289 F C 1.643 177.424 175.800 -0.032 0.000 1.076 289 F CA 0.771 58.748 58.000 -0.038 0.000 1.383 289 F CB -0.290 38.688 39.000 -0.036 0.000 1.055 289 F HN 0.178 nan 8.300 nan 0.000 0.526 290 R N 0.656 120.676 120.500 -0.800 0.000 2.193 290 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 290 R C 1.407 177.557 176.300 -0.250 0.000 1.110 290 R CA 1.048 56.805 56.100 -0.572 0.000 0.988 290 R CB -0.609 29.320 30.300 -0.618 0.000 0.871 290 R HN 0.344 nan 8.270 nan 0.000 0.458 291 N N 1.076 119.660 118.700 -0.193 0.000 2.573 291 N HA -0.121 4.619 4.740 -0.000 0.000 0.187 291 N C 1.382 176.807 175.510 -0.141 0.000 1.107 291 N CA 0.806 53.778 53.050 -0.131 0.000 0.918 291 N CB 0.067 38.503 38.487 -0.086 0.000 0.966 291 N HN 0.416 nan 8.380 nan 0.000 0.448 292 Q N 0.151 119.898 119.800 -0.088 0.000 2.050 292 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 292 Q C -0.686 175.223 176.000 -0.152 0.000 0.980 292 Q CA 1.280 57.044 55.803 -0.065 0.000 0.840 292 Q CB -0.881 27.909 28.738 0.087 0.000 0.898 292 Q HN 0.346 nan 8.270 nan 0.000 0.424 293 P HA -0.141 nan 4.420 nan 0.000 0.222 293 P C 0.535 177.727 177.300 -0.179 0.000 1.147 293 P CA 1.291 64.323 63.100 -0.114 0.000 0.790 293 P CB 0.038 31.697 31.700 -0.068 0.000 0.780 294 K N -0.894 119.391 120.400 -0.191 0.000 2.116 294 K HA -0.009 4.311 4.320 -0.000 0.000 0.203 294 K C 1.879 178.312 176.600 -0.278 0.000 1.052 294 K CA 0.866 57.050 56.287 -0.171 0.000 0.952 294 K CB -0.668 31.768 32.500 -0.107 0.000 0.729 294 K HN 0.000 nan 8.250 nan 0.000 0.446 295 V N 2.170 121.765 119.914 -0.531 0.000 2.295 295 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 295 V C 2.099 177.661 176.094 -0.888 0.000 1.049 295 V CA 2.078 63.793 62.300 -0.976 0.000 1.024 295 V CB -0.701 30.389 31.823 -1.222 0.000 0.648 295 V HN 0.374 nan 8.190 nan 0.000 0.447 296 N N 0.532 118.656 118.700 -0.959 0.000 2.061 296 N HA -0.221 4.519 4.740 -0.000 0.000 0.193 296 N C 1.513 176.872 175.510 -0.252 0.000 1.030 296 N CA 2.023 54.710 53.050 -0.605 0.000 0.856 296 N CB -0.342 38.014 38.487 -0.219 0.000 1.023 296 N HN 0.462 nan 8.380 nan 0.000 0.424 297 D N -0.463 119.825 120.400 -0.187 0.000 2.106 297 D HA -0.143 4.497 4.640 -0.000 0.000 0.191 297 D C 2.056 178.322 176.300 -0.057 0.000 0.997 297 D CA 1.187 55.132 54.000 -0.091 0.000 0.834 297 D CB -0.632 40.126 40.800 -0.071 0.000 0.956 297 D HN 0.126 nan 8.370 nan 0.000 0.448 298 V N 0.523 120.409 119.914 -0.046 0.000 2.343 298 V HA -0.197 3.922 4.120 -0.000 0.000 0.247 298 V C 2.598 178.713 176.094 0.035 0.000 1.051 298 V CA 1.047 63.369 62.300 0.037 0.000 1.036 298 V CB -0.340 31.595 31.823 0.187 0.000 0.654 298 V HN 0.061 nan 8.190 nan 0.000 0.451 299 V N -1.210 118.692 119.914 -0.019 0.000 2.323 299 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 299 V C 2.537 178.652 176.094 0.035 0.000 1.041 299 V CA 1.969 64.288 62.300 0.031 0.000 1.025 299 V CB -0.618 31.235 31.823 0.049 0.000 0.656 299 V HN 0.636 nan 8.190 nan 0.000 0.451 300 C N -0.321 118.987 119.300 0.013 0.000 2.401 300 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 300 C C 2.746 177.743 174.990 0.011 0.000 1.233 300 C CA 1.128 60.155 59.018 0.015 0.000 1.753 300 C CB -1.008 26.732 27.740 0.001 0.000 2.029 300 C HN 0.592 nan 8.230 nan 0.000 0.478 301 E N 0.358 120.562 120.200 0.007 0.000 2.118 301 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 301 E C 2.223 178.831 176.600 0.013 0.000 0.992 301 E CA 1.468 57.872 56.400 0.007 0.000 0.804 301 E CB -0.225 29.478 29.700 0.006 0.000 0.741 301 E HN 0.717 nan 8.360 nan 0.000 0.458 302 Q N -0.147 119.666 119.800 0.022 0.000 2.083 302 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 302 Q C 2.400 178.413 176.000 0.022 0.000 0.969 302 Q CA 0.926 56.744 55.803 0.025 0.000 0.838 302 Q CB 0.046 28.806 28.738 0.037 0.000 0.900 302 Q HN 0.304 nan 8.270 nan 0.000 0.436 303 I N 0.690 121.275 120.570 0.025 0.000 2.142 303 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 303 I C 2.467 178.591 176.117 0.012 0.000 1.078 303 I CA 0.890 62.202 61.300 0.020 0.000 1.343 303 I CB -0.507 37.508 38.000 0.024 0.000 1.046 303 I HN 0.180 nan 8.210 nan 0.000 0.405 304 A N 1.358 124.184 122.820 0.010 0.000 1.884 304 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 304 A C 1.882 179.468 177.584 0.005 0.000 1.197 304 A CA 2.426 54.466 52.037 0.005 0.000 0.637 304 A CB -0.935 18.066 19.000 0.003 0.000 0.827 304 A HN 0.475 nan 8.150 nan 0.000 0.450 305 N N -0.667 118.036 118.700 0.006 0.000 2.609 305 N HA 0.113 4.853 4.740 -0.000 0.000 0.190 305 N C 1.061 176.575 175.510 0.007 0.000 1.157 305 N CA 1.297 54.350 53.050 0.006 0.000 0.918 305 N CB 0.014 38.504 38.487 0.007 0.000 0.978 305 N HN 0.866 nan 8.380 nan 0.000 0.448 306 G N 0.342 109.147 108.800 0.007 0.000 2.148 306 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.157 306 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.157 306 G C -0.278 174.628 174.900 0.009 0.000 1.012 306 G CA -0.290 44.814 45.100 0.007 0.000 0.677 306 G HN 0.308 nan 8.290 nan 0.000 0.506 307 E N 1.220 121.428 120.200 0.013 0.000 2.029 307 E HA 0.369 4.719 4.350 -0.000 0.000 0.276 307 E C 1.258 177.867 176.600 0.014 0.000 1.163 307 E CA -0.296 56.114 56.400 0.017 0.000 0.909 307 E CB 0.007 29.721 29.700 0.024 0.000 1.046 307 E HN 0.240 nan 8.360 nan 0.000 0.406 308 N N 3.454 122.161 118.700 0.011 0.000 2.422 308 N HA 0.013 4.753 4.740 -0.000 0.000 0.181 308 N C 0.791 176.304 175.510 0.006 0.000 1.080 308 N CA 0.793 53.847 53.050 0.006 0.000 0.893 308 N CB 0.402 38.892 38.487 0.005 0.000 0.973 308 N HN 0.493 nan 8.380 nan 0.000 0.456 309 A N 0.525 123.354 122.820 0.015 0.000 2.123 309 A HA 0.151 4.470 4.320 -0.000 0.000 0.214 309 A C 1.030 178.626 177.584 0.021 0.000 1.152 309 A CA 0.085 52.134 52.037 0.020 0.000 0.728 309 A CB -0.145 18.873 19.000 0.031 0.000 0.814 309 A HN 0.135 nan 8.150 nan 0.000 0.464 310 I N 1.786 122.370 120.570 0.022 0.000 2.329 310 I HA 0.049 4.219 4.170 -0.000 0.000 0.295 310 I C 1.359 177.471 176.117 -0.008 0.000 1.109 310 I CA 0.260 61.574 61.300 0.025 0.000 1.297 310 I CB 0.976 39.004 38.000 0.047 0.000 1.433 310 I HN 0.331 nan 8.210 nan 0.000 0.509 311 T N 0.720 115.248 114.554 -0.044 0.000 3.001 311 T HA 0.323 4.673 4.350 -0.000 0.000 0.251 311 T C 0.616 175.237 174.700 -0.132 0.000 1.040 311 T CA -0.153 61.893 62.100 -0.091 0.000 0.985 311 T CB 0.567 69.359 68.868 -0.127 0.000 1.011 311 T HN 0.564 nan 8.240 nan 0.000 0.509 312 G N 0.859 109.588 108.800 -0.118 0.000 2.690 312 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 312 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 312 G C -1.370 173.478 174.900 -0.088 0.000 1.399 312 G CA -0.360 44.654 45.100 -0.143 0.000 0.890 312 G HN 0.876 nan 8.290 nan 0.000 0.485 313 V N -1.566 118.258 119.914 -0.149 0.000 3.114 313 V HA 0.907 5.027 4.120 -0.000 0.000 0.308 313 V C -0.672 175.252 176.094 -0.283 0.000 1.168 313 V CA -1.199 60.966 62.300 -0.225 0.000 1.015 313 V CB 2.011 33.593 31.823 -0.401 0.000 1.050 313 V HN 0.985 nan 8.190 nan 0.000 0.433 314 M N 3.206 122.615 119.600 -0.319 0.000 2.395 314 M HA 0.772 5.252 4.480 -0.000 0.000 0.307 314 M C -2.017 174.096 176.300 -0.312 0.000 1.091 314 M CA -0.612 54.548 55.300 -0.232 0.000 0.919 314 M CB 1.861 34.428 32.600 -0.055 0.000 1.662 314 M HN 0.807 nan 8.290 nan 0.000 0.440 315 I N 3.336 123.772 120.570 -0.223 0.000 2.569 315 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 315 I C -0.849 175.220 176.117 -0.080 0.000 1.088 315 I CA -0.589 60.617 61.300 -0.157 0.000 1.047 315 I CB 2.425 40.323 38.000 -0.169 0.000 1.237 315 I HN 0.640 nan 8.210 nan 0.000 0.421 316 E N 4.488 124.649 120.200 -0.066 0.000 2.046 316 E HA 0.337 4.687 4.350 -0.000 0.000 0.279 316 E C -0.750 175.830 176.600 -0.033 0.000 0.989 316 E CA -0.257 56.091 56.400 -0.086 0.000 0.798 316 E CB 1.625 31.237 29.700 -0.146 0.000 1.086 316 E HN 0.444 nan 8.360 nan 0.000 0.399 317 S N 3.871 119.564 115.700 -0.012 0.000 2.521 317 S HA 0.447 4.917 4.470 -0.000 0.000 0.295 317 S C -0.774 173.833 174.600 0.012 0.000 1.098 317 S CA -0.738 57.519 58.200 0.093 0.000 0.999 317 S CB 1.195 64.542 63.200 0.245 0.000 1.034 317 S HN 0.418 nan 8.310 nan 0.000 0.483 318 N N 2.397 121.157 118.700 0.101 0.000 2.761 318 N HA 0.515 5.255 4.740 -0.000 0.000 0.283 318 N C 1.178 176.903 175.510 0.359 0.000 1.377 318 N CA -0.680 52.407 53.050 0.061 0.000 0.791 318 N CB 1.269 39.709 38.487 -0.078 0.000 1.540 318 N HN 0.636 nan 8.380 nan 0.000 0.539 319 I N 0.418 121.154 120.570 0.277 0.000 2.179 319 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 319 I C 0.143 176.377 176.117 0.195 0.000 1.088 319 I CA 1.112 62.556 61.300 0.240 0.000 1.357 319 I CB -0.066 37.989 38.000 0.091 0.000 1.051 319 I HN 0.313 nan 8.210 nan 0.000 0.409 320 N N 0.711 119.468 118.700 0.096 0.000 2.265 320 N HA 0.227 4.966 4.740 -0.000 0.000 0.300 320 N C -0.845 174.653 175.510 -0.019 0.000 1.148 320 N CA -0.570 52.515 53.050 0.059 0.000 0.772 320 N CB 1.472 39.986 38.487 0.046 0.000 1.434 320 N HN 0.174 nan 8.380 nan 0.000 0.481 321 E N -0.035 120.137 120.200 -0.047 0.000 2.312 321 E HA 0.564 4.914 4.350 -0.000 0.000 0.259 321 E C 0.512 176.882 176.600 -0.384 0.000 1.122 321 E CA -0.555 55.720 56.400 -0.209 0.000 0.922 321 E CB 0.630 30.290 29.700 -0.067 0.000 1.109 321 E HN 0.647 nan 8.360 nan 0.000 0.442 322 G N 1.228 109.499 108.800 -0.882 0.000 2.615 322 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.218 322 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.218 322 G C -0.843 173.828 174.900 -0.382 0.000 1.339 322 G CA -0.104 44.555 45.100 -0.734 0.000 0.884 322 G HN 1.159 nan 8.290 nan 0.000 0.559 323 N N -0.627 117.949 118.700 -0.205 0.000 2.902 323 N HA 0.685 5.424 4.740 -0.000 0.000 0.268 323 N C -0.671 174.794 175.510 -0.075 0.000 1.450 323 N CA -0.035 52.944 53.050 -0.119 0.000 0.819 323 N CB 1.209 39.645 38.487 -0.084 0.000 1.540 323 N HN 1.461 nan 8.380 nan 0.000 0.545 324 Q N -1.410 118.346 119.800 -0.072 0.000 2.435 324 Q HA 0.647 4.987 4.340 -0.000 0.000 0.282 324 Q C -0.675 175.280 176.000 -0.075 0.000 1.020 324 Q CA -1.348 54.415 55.803 -0.066 0.000 0.820 324 Q CB 1.569 30.261 28.738 -0.078 0.000 1.436 324 Q HN 0.726 nan 8.270 nan 0.000 0.395 325 G N 1.138 109.904 108.800 -0.057 0.000 2.599 325 G HA2 0.503 4.463 3.960 -0.000 0.000 0.264 325 G HA3 0.503 4.463 3.960 -0.000 0.000 0.264 325 G C -0.342 174.503 174.900 -0.090 0.000 1.200 325 G CA -0.970 44.096 45.100 -0.057 0.000 0.896 325 G HN 0.565 nan 8.290 nan 0.000 0.536 326 I N 2.454 122.968 120.570 -0.093 0.000 2.325 326 I HA 0.243 4.412 4.170 -0.000 0.000 0.291 326 I C -1.429 174.644 176.117 -0.073 0.000 1.019 326 I CA -1.406 59.823 61.300 -0.118 0.000 1.302 326 I CB 1.306 39.225 38.000 -0.136 0.000 1.401 326 I HN 0.339 nan 8.210 nan 0.000 0.485 327 P HA 0.360 nan 4.420 nan 0.000 0.284 327 P C 0.508 177.786 177.300 -0.037 0.000 1.292 327 P CA -0.542 62.531 63.100 -0.044 0.000 0.800 327 P CB 1.085 32.760 31.700 -0.041 0.000 1.188 328 A N 0.380 123.184 122.820 -0.026 0.000 1.859 328 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 328 A C 0.775 178.345 177.584 -0.023 0.000 1.198 328 A CA 1.460 53.485 52.037 -0.020 0.000 0.629 328 A CB -1.787 17.205 19.000 -0.013 0.000 0.830 328 A HN 0.778 nan 8.150 nan 0.000 0.446 329 E N 0.235 120.421 120.200 -0.024 0.000 2.653 329 E HA 0.270 4.619 4.350 -0.000 0.000 0.264 329 E C 0.905 177.482 176.600 -0.038 0.000 0.949 329 E CA -0.137 56.248 56.400 -0.026 0.000 0.953 329 E CB 0.043 29.729 29.700 -0.024 0.000 0.925 329 E HN 0.414 nan 8.360 nan 0.000 0.475 330 G N 2.385 111.162 108.800 -0.037 0.000 2.597 330 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.194 330 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.194 330 G C 0.701 175.555 174.900 -0.077 0.000 1.625 330 G CA -0.011 45.058 45.100 -0.052 0.000 1.050 330 G HN 0.702 nan 8.290 nan 0.000 0.531 331 K N -0.164 120.185 120.400 -0.084 0.000 2.588 331 K HA 0.018 4.338 4.320 -0.000 0.000 0.196 331 K C 0.869 177.430 176.600 -0.065 0.000 1.044 331 K CA 0.848 57.074 56.287 -0.101 0.000 0.934 331 K CB -0.368 32.088 32.500 -0.074 0.000 0.773 331 K HN 0.464 nan 8.250 nan 0.000 0.489 335 K N 2.613 123.012 120.400 -0.001 0.000 2.401 335 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 335 K C -0.750 175.901 176.600 0.085 0.000 1.018 335 K CA -0.009 56.304 56.287 0.044 0.000 0.981 335 K CB 0.347 32.860 32.500 0.022 0.000 0.933 335 K HN 0.423 nan 8.250 nan 0.000 0.477 336 Y N 1.481 121.782 120.300 0.000 0.000 2.511 336 Y HA 0.166 4.715 4.550 -0.000 0.000 0.332 336 Y C 1.353 177.256 175.900 0.006 0.000 1.177 336 Y CA 1.347 59.450 58.100 0.005 0.000 1.422 336 Y CB 0.609 39.065 38.460 -0.007 0.000 1.271 336 Y HN 0.872 nan 8.280 nan 0.000 0.550 337 G N 3.495 111.951 108.800 -0.572 0.000 2.179 337 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 337 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 337 G C -0.847 173.959 174.900 -0.157 0.000 1.010 337 G CA 0.300 45.150 45.100 -0.416 0.000 0.736 337 G HN 0.733 nan 8.290 nan 0.000 0.513 338 V N 0.251 120.107 119.914 -0.095 0.000 2.495 338 V HA 0.707 4.827 4.120 -0.000 0.000 0.298 338 V C 0.833 176.922 176.094 -0.007 0.000 1.031 338 V CA -0.172 62.094 62.300 -0.058 0.000 0.871 338 V CB 1.788 33.583 31.823 -0.047 0.000 0.988 338 V HN 0.546 nan 8.190 nan 0.000 0.432 339 S N 3.837 119.508 115.700 -0.047 0.000 2.562 339 S HA 0.261 4.730 4.470 -0.000 0.000 0.281 339 S C 0.922 175.493 174.600 -0.047 0.000 1.333 339 S CA -0.366 57.827 58.200 -0.012 0.000 1.052 339 S CB 0.270 63.433 63.200 -0.061 0.000 0.884 339 S HN 0.712 nan 8.310 nan 0.000 0.506 340 I N 2.112 122.640 120.570 -0.070 0.000 3.928 340 I HA 0.222 4.392 4.170 -0.000 0.000 0.335 340 I C 0.789 176.918 176.117 0.019 0.000 1.325 340 I CA -0.256 60.961 61.300 -0.137 0.000 1.107 340 I CB -0.568 37.193 38.000 -0.398 0.000 1.014 340 I HN 0.634 nan 8.210 nan 0.000 0.400 341 T N -2.125 112.476 114.554 0.079 0.000 1.701 341 T HA 0.277 4.627 4.350 -0.000 0.000 0.180 341 T C 0.211 174.938 174.700 0.044 0.000 0.686 341 T CA -0.316 61.848 62.100 0.108 0.000 1.314 341 T CB -0.294 68.683 68.868 0.182 0.000 3.356 341 T HN 0.014 nan 8.240 nan 0.000 0.410 342 D N 2.117 122.537 120.400 0.034 0.000 2.372 342 D HA 0.497 5.137 4.640 -0.000 0.000 0.243 342 D C 0.099 176.360 176.300 -0.065 0.000 1.121 342 D CA 0.007 54.000 54.000 -0.010 0.000 0.898 342 D CB 0.918 41.691 40.800 -0.044 0.000 1.202 342 D HN 0.787 nan 8.370 nan 0.000 0.428 343 A N 1.836 124.613 122.820 -0.073 0.000 2.520 343 A HA 0.206 4.526 4.320 -0.000 0.000 0.245 343 A C 0.103 177.561 177.584 -0.210 0.000 1.072 343 A CA -0.165 51.758 52.037 -0.191 0.000 0.761 343 A CB -0.046 18.885 19.000 -0.116 0.000 1.004 343 A HN 0.621 nan 8.150 nan 0.000 0.499 344 C N 2.824 121.921 119.300 -0.338 0.000 2.397 344 C HA 0.605 5.064 4.460 -0.000 0.000 0.343 344 C C 0.810 175.660 174.990 -0.233 0.000 1.188 344 C CA -0.713 58.181 59.018 -0.206 0.000 1.992 344 C CB 0.478 28.128 27.740 -0.151 0.000 2.358 344 C HN 0.832 nan 8.230 nan 0.000 0.518 345 I N 1.283 121.886 120.570 0.054 0.000 2.779 345 I HA 0.566 4.736 4.170 -0.000 0.000 0.285 345 I C 0.677 176.843 176.117 0.082 0.000 1.134 345 I CA 0.243 61.640 61.300 0.163 0.000 1.398 345 I CB 0.102 38.214 38.000 0.187 0.000 1.404 345 I HN 0.707 nan 8.210 nan 0.000 0.587 346 G N 3.595 112.458 108.800 0.106 0.000 2.588 346 G HA2 0.032 3.992 3.960 -0.000 0.000 0.281 346 G HA3 0.032 3.992 3.960 -0.000 0.000 0.281 346 G C 0.197 175.206 174.900 0.181 0.000 1.236 346 G CA -0.681 44.502 45.100 0.138 0.000 0.969 346 G HN 1.078 nan 8.290 nan 0.000 0.504 347 W N -0.059 121.279 121.300 0.064 0.000 2.363 347 W HA -0.100 4.559 4.660 -0.000 0.000 0.296 347 W C 1.765 178.293 176.519 0.014 0.000 1.212 347 W CA 1.618 58.984 57.345 0.035 0.000 1.260 347 W CB 0.257 29.718 29.460 0.001 0.000 1.131 347 W HN 0.668 nan 8.180 nan 0.000 0.530 348 E N -0.191 119.941 120.200 -0.115 0.000 2.112 348 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 348 E C 2.150 178.611 176.600 -0.231 0.000 0.979 348 E CA 2.233 58.501 56.400 -0.219 0.000 0.814 348 E CB -0.897 28.793 29.700 -0.016 0.000 0.762 348 E HN 0.013 nan 8.360 nan 0.000 0.460 349 T N 0.372 114.854 114.554 -0.120 0.000 2.720 349 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 349 T C 1.858 176.464 174.700 -0.155 0.000 1.037 349 T CA 1.849 63.895 62.100 -0.090 0.000 1.144 349 T CB -0.643 68.225 68.868 -0.000 0.000 0.864 349 T HN 0.211 nan 8.240 nan 0.000 0.444 350 T N 2.057 116.470 114.554 -0.234 0.000 2.720 350 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 350 T C 1.914 176.353 174.700 -0.436 0.000 1.037 350 T CA 1.210 63.126 62.100 -0.306 0.000 1.144 350 T CB -0.280 68.367 68.868 -0.368 0.000 0.864 350 T HN 0.532 nan 8.240 nan 0.000 0.444 351 E N 0.794 120.603 120.200 -0.652 0.000 2.051 351 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 351 E C 2.132 178.578 176.600 -0.256 0.000 0.991 351 E CA 1.290 57.384 56.400 -0.510 0.000 0.799 351 E CB -0.159 29.244 29.700 -0.496 0.000 0.748 351 E HN 0.436 nan 8.360 nan 0.000 0.449 352 D N 0.330 120.608 120.400 -0.202 0.000 2.084 352 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 352 D C 2.110 178.354 176.300 -0.093 0.000 0.990 352 D CA 0.749 54.678 54.000 -0.119 0.000 0.826 352 D CB -0.449 40.296 40.800 -0.093 0.000 0.971 352 D HN -0.014 nan 8.370 nan 0.000 0.453 353 V N 0.813 120.671 119.914 -0.093 0.000 2.332 353 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 353 V C 2.525 178.600 176.094 -0.031 0.000 1.055 353 V CA 1.292 63.569 62.300 -0.038 0.000 1.038 353 V CB -0.335 31.485 31.823 -0.005 0.000 0.651 353 V HN 0.212 nan 8.190 nan 0.000 0.450 354 L N -1.266 119.909 121.223 -0.080 0.000 2.209 354 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 354 L C 2.700 179.538 176.870 -0.054 0.000 1.094 354 L CA 0.978 55.778 54.840 -0.066 0.000 0.790 354 L CB -0.433 41.567 42.059 -0.099 0.000 0.932 354 L HN 0.199 nan 8.230 nan 0.000 0.447 355 R N 0.312 120.772 120.500 -0.068 0.000 2.083 355 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 355 R C 2.293 178.573 176.300 -0.033 0.000 1.137 355 R CA 1.521 57.592 56.100 -0.049 0.000 0.951 355 R CB -0.232 30.034 30.300 -0.056 0.000 0.851 355 R HN 0.172 nan 8.270 nan 0.000 0.434 356 K N 0.568 120.948 120.400 -0.032 0.000 2.147 356 K HA -0.154 4.165 4.320 -0.000 0.000 0.205 356 K C 1.951 178.547 176.600 -0.008 0.000 1.049 356 K CA 0.950 57.225 56.287 -0.021 0.000 0.936 356 K CB -0.024 32.462 32.500 -0.023 0.000 0.722 356 K HN 0.039 nan 8.250 nan 0.000 0.446 357 L N 0.270 121.492 121.223 -0.000 0.000 2.131 357 L HA 0.039 4.379 4.340 -0.000 0.000 0.206 357 L C 2.047 178.916 176.870 -0.001 0.000 1.087 357 L CA 1.663 56.511 54.840 0.013 0.000 0.767 357 L CB -0.413 41.664 42.059 0.029 0.000 0.917 357 L HN 0.107 nan 8.230 nan 0.000 0.441 358 A N -0.267 122.546 122.820 -0.012 0.000 1.930 358 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 358 A C 2.451 180.028 177.584 -0.011 0.000 1.175 358 A CA 1.551 53.579 52.037 -0.015 0.000 0.627 358 A CB -1.071 17.917 19.000 -0.019 0.000 0.815 358 A HN 0.557 nan 8.150 nan 0.000 0.443 359 A N 0.059 122.872 122.820 -0.011 0.000 1.902 359 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 359 A C 2.519 180.100 177.584 -0.006 0.000 1.181 359 A CA 2.154 54.186 52.037 -0.010 0.000 0.623 359 A CB -1.083 17.910 19.000 -0.011 0.000 0.818 359 A HN 1.079 nan 8.150 nan 0.000 0.443 360 A N -0.528 122.290 122.820 -0.003 0.000 1.883 360 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 360 A C 2.257 179.841 177.584 0.000 0.000 1.186 360 A CA 1.968 54.006 52.037 0.001 0.000 0.624 360 A CB -1.098 17.907 19.000 0.008 0.000 0.822 360 A HN 0.423 nan 8.150 nan 0.000 0.444 361 V N 0.038 119.950 119.914 -0.002 0.000 2.255 361 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 361 V C 2.708 178.798 176.094 -0.006 0.000 1.051 361 V CA 2.444 64.741 62.300 -0.006 0.000 1.018 361 V CB -0.812 31.004 31.823 -0.011 0.000 0.641 361 V HN 0.549 nan 8.190 nan 0.000 0.445 362 R N -0.532 119.964 120.500 -0.007 0.000 2.073 362 R HA -0.227 4.113 4.340 -0.000 0.000 0.234 362 R C 2.414 178.712 176.300 -0.005 0.000 1.134 362 R CA 1.766 57.862 56.100 -0.007 0.000 0.952 362 R CB -0.476 29.820 30.300 -0.007 0.000 0.850 362 R HN 0.423 nan 8.270 nan 0.000 0.433 363 Q N 1.231 121.029 119.800 -0.004 0.000 2.135 363 Q HA -0.195 4.144 4.340 -0.000 0.000 0.204 363 Q C 1.954 177.953 176.000 -0.001 0.000 0.981 363 Q CA 1.794 57.595 55.803 -0.003 0.000 0.856 363 Q CB -0.221 28.516 28.738 -0.002 0.000 0.902 363 Q HN 0.212 nan 8.270 nan 0.000 0.425 364 R N -0.575 119.924 120.500 -0.001 0.000 2.075 364 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 364 R C 2.312 178.611 176.300 -0.001 0.000 1.126 364 R CA 1.278 57.378 56.100 -0.000 0.000 0.963 364 R CB -0.164 30.136 30.300 0.000 0.000 0.858 364 R HN 0.182 nan 8.270 nan 0.000 0.435 365 R N 0.228 120.726 120.500 -0.003 0.000 2.134 365 R HA -0.180 4.160 4.340 -0.000 0.000 0.248 365 R C 1.954 178.253 176.300 -0.002 0.000 1.143 365 R CA 2.167 58.265 56.100 -0.003 0.000 0.957 365 R CB -0.060 30.238 30.300 -0.005 0.000 0.867 365 R HN 0.301 nan 8.270 nan 0.000 0.441 366 E N -0.411 119.788 120.200 -0.002 0.000 2.216 366 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 366 E C 2.033 178.632 176.600 -0.001 0.000 0.988 366 E CA 0.730 57.129 56.400 -0.002 0.000 0.834 366 E CB -0.003 29.696 29.700 -0.002 0.000 0.772 366 E HN 0.196 nan 8.360 nan 0.000 0.479 367 V N 1.859 121.773 119.914 -0.000 0.000 2.515 367 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 367 V C 1.185 177.279 176.094 0.001 0.000 1.058 367 V CA 0.838 63.138 62.300 0.001 0.000 1.064 367 V CB -0.356 31.468 31.823 0.002 0.000 0.675 367 V HN 0.190 nan 8.190 nan 0.000 0.461 368 N N 0.000 118.700 118.700 0.001 0.000 1.763 368 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 368 N CA 0.000 53.051 53.050 0.001 0.000 0.885 368 N CB 0.000 38.487 38.487 0.000 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667