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 3n6r_1_D DATA FIRST_RESID 36 DATA SEQUENCE LEQLEDRRAA ARLGGGQKRI DAQHGRGKLT ARERVDLLLD EGSFEEFDMF DATA SEQUENCE VTHRCTDFNM XXQDQKPAGD GVVTGWGTIN GRVVYVFSQD FTVLGGSVSE DATA SEQUENCE THSKKICKIM DMAMQNGAPV IGINDSGGAR IQEGVDSLAG YGEVFQRNIM DATA SEQUENCE ASGVVPQISM IMGPCAGGAV YSPAMTDFIF MVKDSSYMFV TGPDVVKTVT DATA SEQUENCE NEQVSAEELG GATTHTRKSS VADAAFENDV EALAEVRRLV DFLPLNNREK DATA SEQUENCE PPVRPFFDDP DRIEPSLDTL VPDNPNTPYD MKELIHKLAD EGDFYEIQEE DATA SEQUENCE FAKNIITGFI RLEGRTVGVV ANQPLVLAGC LDIDSSRKAA RFVRFCDAFE DATA SEQUENCE IPLLTLIDVP GFLPGTSQEY GGVIKHGAKL LYAYGEATVP MVTVITRKAY DATA SEQUENCE GGAYVVMSSK HLRADFNYAW PTAEVAVMGA KGATEIIHRG PEKIAQHTAD DATA SEQUENCE YEERFANPFV ASERGFVDEV IQPRSTRKRV ARAFASLRNK SVQMPWKKHD DATA SEQUENCE NIPL 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 36 L HA 0.000 nan 4.340 nan 0.000 0.249 36 L C 0.000 176.875 176.870 0.008 0.000 1.165 36 L CA 0.000 54.844 54.840 0.007 0.000 0.813 36 L CB 0.000 42.060 42.059 0.003 0.000 0.961 37 E N 1.140 121.342 120.200 0.004 0.000 2.489 37 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 37 E C 1.034 177.634 176.600 -0.001 0.000 1.057 37 E CA 0.343 56.746 56.400 0.005 0.000 0.866 37 E CB 0.405 30.107 29.700 0.003 0.000 0.916 37 E HN 0.540 nan 8.360 nan 0.000 0.500 38 Q N 0.029 119.824 119.800 -0.008 0.000 2.083 38 Q HA -0.094 4.246 4.340 -0.000 0.000 0.198 38 Q C 2.146 178.129 176.000 -0.028 0.000 0.969 38 Q CA 0.642 56.431 55.803 -0.023 0.000 0.838 38 Q CB -0.095 28.626 28.738 -0.029 0.000 0.900 38 Q HN 0.167 nan 8.270 nan 0.000 0.436 39 L N 1.632 122.851 121.223 -0.007 0.000 1.989 39 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 39 L C 2.029 178.924 176.870 0.042 0.000 1.071 39 L CA 1.883 56.735 54.840 0.019 0.000 0.749 39 L CB -0.486 41.606 42.059 0.055 0.000 0.890 39 L HN 0.064 nan 8.230 nan 0.000 0.431 40 E N 0.078 120.300 120.200 0.037 0.000 2.171 40 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 40 E C 1.912 178.532 176.600 0.035 0.000 0.997 40 E CA 1.406 57.831 56.400 0.042 0.000 0.810 40 E CB -0.446 29.271 29.700 0.028 0.000 0.738 40 E HN 0.625 nan 8.360 nan 0.000 0.467 41 D N 0.143 120.548 120.400 0.009 0.000 2.085 41 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 41 D C 2.091 178.382 176.300 -0.015 0.000 0.981 41 D CA 0.679 54.676 54.000 -0.005 0.000 0.834 41 D CB -0.300 40.486 40.800 -0.023 0.000 0.992 41 D HN 0.069 nan 8.370 nan 0.000 0.457 42 R N 0.380 120.840 120.500 -0.066 0.000 2.112 42 R HA -0.173 4.167 4.340 -0.000 0.000 0.242 42 R C 2.369 178.677 176.300 0.012 0.000 1.137 42 R CA 1.524 57.525 56.100 -0.165 0.000 0.944 42 R CB -0.025 30.017 30.300 -0.429 0.000 0.857 42 R HN -0.022 nan 8.270 nan 0.000 0.435 43 R N -0.171 120.423 120.500 0.156 0.000 2.122 43 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 43 R C 2.195 178.593 176.300 0.163 0.000 1.129 43 R CA 2.159 58.424 56.100 0.276 0.000 0.925 43 R CB -0.796 29.621 30.300 0.194 0.000 0.850 43 R HN 0.358 nan 8.270 nan 0.000 0.431 44 A N 0.154 123.030 122.820 0.093 0.000 1.908 44 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 44 A C 2.323 179.943 177.584 0.059 0.000 1.181 44 A CA 2.017 54.093 52.037 0.064 0.000 0.627 44 A CB -1.081 17.944 19.000 0.040 0.000 0.818 44 A HN 0.465 nan 8.150 nan 0.000 0.445 45 A N -0.031 122.819 122.820 0.049 0.000 1.873 45 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 45 A C 2.576 180.195 177.584 0.059 0.000 1.193 45 A CA 2.629 54.686 52.037 0.033 0.000 0.629 45 A CB -1.276 17.724 19.000 -0.000 0.000 0.826 45 A HN 1.192 nan 8.150 nan 0.000 0.447 46 A N -0.284 122.603 122.820 0.112 0.000 1.865 46 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 46 A C 2.153 179.798 177.584 0.102 0.000 1.191 46 A CA 1.680 53.806 52.037 0.149 0.000 0.623 46 A CB -0.623 18.553 19.000 0.293 0.000 0.826 46 A HN 0.548 nan 8.150 nan 0.000 0.444 47 R N -0.639 119.919 120.500 0.098 0.000 2.316 47 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 47 R C 1.561 177.889 176.300 0.046 0.000 1.137 47 R CA 0.881 57.023 56.100 0.069 0.000 1.012 47 R CB -0.497 29.843 30.300 0.066 0.000 0.859 47 R HN 0.513 nan 8.270 nan 0.000 0.474 48 L N -0.078 121.170 121.223 0.042 0.000 2.492 48 L HA 0.021 4.361 4.340 -0.000 0.000 0.223 48 L C 1.226 178.104 176.870 0.014 0.000 1.132 48 L CA 0.447 55.302 54.840 0.025 0.000 0.850 48 L CB -0.614 41.458 42.059 0.022 0.000 0.966 48 L HN 0.382 nan 8.230 nan 0.000 0.454 49 G N 0.173 108.985 108.800 0.021 0.000 2.578 49 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.275 49 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.275 49 G C 0.786 175.686 174.900 0.001 0.000 1.271 49 G CA -0.145 44.962 45.100 0.011 0.000 0.941 49 G HN 0.396 nan 8.290 nan 0.000 0.564 50 G N 0.420 109.211 108.800 -0.015 0.000 3.079 50 G HA2 0.512 4.472 3.960 -0.000 0.000 0.205 50 G HA3 0.512 4.472 3.960 -0.000 0.000 0.205 50 G C 1.442 176.329 174.900 -0.021 0.000 1.203 50 G CA 1.563 46.648 45.100 -0.025 0.000 0.929 50 G HN 2.582 nan 8.290 nan 0.000 0.498 51 G N -1.225 107.568 108.800 -0.012 0.000 2.733 51 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 51 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 51 G C 0.372 175.265 174.900 -0.012 0.000 1.373 51 G CA 0.237 45.333 45.100 -0.008 0.000 0.838 51 G HN 0.309 nan 8.290 nan 0.000 0.588 52 Q N 0.259 120.057 119.800 -0.002 0.000 2.173 52 Q HA -0.134 4.206 4.340 -0.000 0.000 0.208 52 Q C 2.520 178.521 176.000 0.003 0.000 0.989 52 Q CA 2.744 58.550 55.803 0.004 0.000 0.872 52 Q CB -0.229 28.517 28.738 0.014 0.000 0.909 52 Q HN 0.731 nan 8.270 nan 0.000 0.420 53 K N -0.597 119.804 120.400 0.001 0.000 2.057 53 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 53 K C 2.062 178.660 176.600 -0.004 0.000 1.050 53 K CA 1.025 57.313 56.287 0.003 0.000 0.935 53 K CB 0.044 32.545 32.500 0.002 0.000 0.715 53 K HN 0.119 nan 8.250 nan 0.000 0.439 54 R N 0.335 120.823 120.500 -0.020 0.000 2.090 54 R HA -0.003 4.337 4.340 -0.000 0.000 0.228 54 R C 2.334 178.605 176.300 -0.049 0.000 1.110 54 R CA 1.240 57.319 56.100 -0.036 0.000 0.973 54 R CB -0.257 30.009 30.300 -0.056 0.000 0.869 54 R HN 0.228 nan 8.270 nan 0.000 0.440 55 I N 1.170 121.700 120.570 -0.067 0.000 2.264 55 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 55 I C 1.465 177.480 176.117 -0.171 0.000 1.111 55 I CA 1.219 62.428 61.300 -0.151 0.000 1.382 55 I CB -0.349 37.579 38.000 -0.120 0.000 1.060 55 I HN 0.141 nan 8.210 nan 0.000 0.418 56 D N 1.090 121.474 120.400 -0.026 0.000 2.103 56 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 56 D C 2.322 178.657 176.300 0.058 0.000 0.978 56 D CA 1.476 55.512 54.000 0.059 0.000 0.829 56 D CB -0.228 40.610 40.800 0.063 0.000 0.981 56 D HN 0.306 nan 8.370 nan 0.000 0.464 57 A N 1.118 123.957 122.820 0.031 0.000 1.869 57 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 57 A C 2.196 179.825 177.584 0.074 0.000 1.203 57 A CA 2.598 54.666 52.037 0.051 0.000 0.638 57 A CB -0.980 18.042 19.000 0.036 0.000 0.831 57 A HN 0.210 nan 8.150 nan 0.000 0.450 58 Q N -0.592 119.236 119.800 0.045 0.000 2.014 58 Q HA -0.258 4.082 4.340 -0.000 0.000 0.207 58 Q C 1.828 177.880 176.000 0.087 0.000 0.993 58 Q CA 2.661 58.501 55.803 0.062 0.000 0.850 58 Q CB -0.691 28.033 28.738 -0.024 0.000 0.916 58 Q HN 0.851 nan 8.270 nan 0.000 0.417 59 H N -1.540 117.563 119.070 0.055 0.000 2.390 59 H HA -0.118 4.438 4.556 -0.000 0.000 0.298 59 H C 1.756 177.106 175.328 0.036 0.000 1.106 59 H CA 0.515 56.584 56.048 0.036 0.000 1.297 59 H CB -0.210 29.568 29.762 0.026 0.000 1.375 59 H HN 0.541 nan 8.280 nan 0.000 0.509 60 G N 0.645 109.547 108.800 0.169 0.000 2.450 60 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 60 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 60 G C 1.443 176.399 174.900 0.093 0.000 1.130 60 G CA 0.447 45.612 45.100 0.109 0.000 0.760 60 G HN 0.377 nan 8.290 nan 0.000 0.557 61 R N 0.119 120.679 120.500 0.100 0.000 2.363 61 R HA 0.283 4.623 4.340 -0.000 0.000 0.236 61 R C 1.652 177.996 176.300 0.072 0.000 0.966 61 R CA 0.373 56.523 56.100 0.082 0.000 1.100 61 R CB 0.021 30.372 30.300 0.085 0.000 1.125 61 R HN 0.324 nan 8.270 nan 0.000 0.514 62 G N 1.679 110.529 108.800 0.083 0.000 2.166 62 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 62 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 62 G C -0.186 174.760 174.900 0.076 0.000 0.986 62 G CA 0.262 45.403 45.100 0.068 0.000 0.683 62 G HN 0.311 nan 8.290 nan 0.000 0.527 63 K N 0.054 120.513 120.400 0.098 0.000 2.159 63 K HA 0.651 4.971 4.320 -0.000 0.000 0.266 63 K C 0.852 177.538 176.600 0.144 0.000 0.975 63 K CA -0.808 55.527 56.287 0.080 0.000 0.865 63 K CB 1.784 34.307 32.500 0.038 0.000 1.087 63 K HN 0.155 nan 8.250 nan 0.000 0.446 64 L N 1.336 122.628 121.223 0.115 0.000 2.482 64 L HA 0.179 4.519 4.340 -0.000 0.000 0.242 64 L C 1.185 178.087 176.870 0.054 0.000 1.210 64 L CA -0.211 54.721 54.840 0.153 0.000 0.819 64 L CB 0.665 42.772 42.059 0.081 0.000 1.203 64 L HN 0.790 nan 8.230 nan 0.000 0.495 65 T N -2.494 112.074 114.554 0.025 0.000 2.902 65 T HA 0.408 4.758 4.350 -0.000 0.000 0.280 65 T C 0.985 175.677 174.700 -0.013 0.000 0.992 65 T CA -0.165 61.917 62.100 -0.029 0.000 1.015 65 T CB 1.592 70.423 68.868 -0.062 0.000 1.044 65 T HN 0.629 nan 8.240 nan 0.000 0.520 66 A N 1.655 124.471 122.820 -0.007 0.000 1.884 66 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 66 A C 2.547 180.090 177.584 -0.067 0.000 1.197 66 A CA 1.856 53.881 52.037 -0.021 0.000 0.637 66 A CB -0.920 18.082 19.000 0.004 0.000 0.827 66 A HN 0.940 nan 8.150 nan 0.000 0.450 67 R N -0.434 120.032 120.500 -0.056 0.000 2.096 67 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 67 R C 2.119 178.357 176.300 -0.103 0.000 1.127 67 R CA 1.569 57.616 56.100 -0.089 0.000 0.968 67 R CB -0.373 29.907 30.300 -0.033 0.000 0.861 67 R HN 0.726 nan 8.270 nan 0.000 0.440 68 E N 0.291 120.461 120.200 -0.050 0.000 2.150 68 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 68 E C 2.081 178.636 176.600 -0.075 0.000 0.985 68 E CA 0.843 57.221 56.400 -0.038 0.000 0.814 68 E CB -0.022 29.697 29.700 0.031 0.000 0.752 68 E HN 0.290 nan 8.360 nan 0.000 0.466 69 R N 0.533 120.983 120.500 -0.083 0.000 2.073 69 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 69 R C 2.482 178.683 176.300 -0.165 0.000 1.134 69 R CA 1.188 57.226 56.100 -0.104 0.000 0.952 69 R CB -0.451 29.795 30.300 -0.090 0.000 0.850 69 R HN 0.023 nan 8.270 nan 0.000 0.433 70 V N 1.536 121.311 119.914 -0.231 0.000 2.287 70 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 70 V C 1.515 177.411 176.094 -0.330 0.000 1.053 70 V CA 2.148 64.225 62.300 -0.371 0.000 1.027 70 V CB -0.527 30.920 31.823 -0.628 0.000 0.646 70 V HN 0.268 nan 8.190 nan 0.000 0.447 71 D N -0.099 120.146 120.400 -0.258 0.000 2.190 71 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 71 D C 1.880 178.099 176.300 -0.136 0.000 0.992 71 D CA 1.307 55.203 54.000 -0.175 0.000 0.854 71 D CB -0.172 40.562 40.800 -0.111 0.000 0.936 71 D HN 0.403 nan 8.370 nan 0.000 0.462 72 L N -0.551 120.594 121.223 -0.131 0.000 2.477 72 L HA 0.082 4.422 4.340 -0.000 0.000 0.220 72 L C 1.968 178.765 176.870 -0.123 0.000 1.106 72 L CA -0.027 54.746 54.840 -0.111 0.000 0.851 72 L CB -0.011 41.988 42.059 -0.099 0.000 0.994 72 L HN 0.070 nan 8.230 nan 0.000 0.462 73 L N 0.117 121.251 121.223 -0.147 0.000 2.049 73 L HA 0.067 4.407 4.340 -0.000 0.000 0.203 73 L C 0.918 177.711 176.870 -0.128 0.000 1.074 73 L CA 1.367 56.121 54.840 -0.143 0.000 0.749 73 L CB 0.039 42.002 42.059 -0.161 0.000 0.907 73 L HN -0.023 nan 8.230 nan 0.000 0.439 74 L N 0.651 121.787 121.223 -0.145 0.000 2.399 74 L HA 0.201 4.541 4.340 -0.000 0.000 0.266 74 L C -0.203 176.610 176.870 -0.095 0.000 1.114 74 L CA -0.983 53.787 54.840 -0.116 0.000 0.804 74 L CB 0.123 42.107 42.059 -0.126 0.000 1.146 74 L HN 0.052 nan 8.230 nan 0.000 0.451 75 D N 2.072 122.425 120.400 -0.079 0.000 2.586 75 D HA -0.098 4.542 4.640 -0.000 0.000 0.234 75 D C 0.425 176.684 176.300 -0.068 0.000 1.132 75 D CA 0.514 54.474 54.000 -0.066 0.000 0.860 75 D CB 0.409 41.176 40.800 -0.055 0.000 1.159 75 D HN 0.468 nan 8.370 nan 0.000 0.490 76 E N 1.290 121.455 120.200 -0.059 0.000 3.288 76 E HA 0.005 4.355 4.350 -0.000 0.000 0.237 76 E C 0.428 176.997 176.600 -0.052 0.000 0.958 76 E CA 0.355 56.724 56.400 -0.053 0.000 0.947 76 E CB -0.284 29.390 29.700 -0.043 0.000 0.896 76 E HN 0.677 nan 8.360 nan 0.000 0.566 77 G N 3.611 112.381 108.800 -0.051 0.000 2.460 77 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.259 77 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.259 77 G C 0.288 175.136 174.900 -0.087 0.000 0.959 77 G CA 0.432 45.499 45.100 -0.054 0.000 1.330 77 G HN 0.960 nan 8.290 nan 0.000 0.451 78 S N 0.063 115.691 115.700 -0.119 0.000 2.631 78 S HA 0.270 4.740 4.470 -0.000 0.000 0.248 78 S C 0.040 174.434 174.600 -0.343 0.000 0.949 78 S CA 0.191 58.259 58.200 -0.220 0.000 1.470 78 S CB -0.081 63.019 63.200 -0.167 0.000 1.248 78 S HN 1.604 nan 8.310 nan 0.000 0.662 79 F N 3.764 123.478 119.950 -0.394 0.000 2.410 79 F HA 0.702 5.229 4.527 -0.000 0.000 0.348 79 F C 0.068 175.552 175.800 -0.526 0.000 1.106 79 F CA -0.806 56.916 58.000 -0.464 0.000 1.163 79 F CB 1.115 39.939 39.000 -0.294 0.000 1.129 79 F HN 0.357 nan 8.300 nan 0.000 0.516 80 E N 5.073 124.417 120.200 -1.427 0.000 2.187 80 E HA 0.244 4.594 4.350 -0.000 0.000 0.268 80 E C -1.345 174.279 176.600 -1.627 0.000 0.896 80 E CA -0.650 55.022 56.400 -1.214 0.000 0.766 80 E CB 1.187 30.322 29.700 -0.942 0.000 1.142 80 E HN 0.781 nan 8.360 nan 0.000 0.408 81 E N 3.674 123.162 120.200 -1.186 0.000 2.248 81 E HA 0.351 4.701 4.350 -0.000 0.000 0.272 81 E C -1.182 175.290 176.600 -0.214 0.000 1.008 81 E CA -0.666 55.226 56.400 -0.847 0.000 0.856 81 E CB 0.710 30.145 29.700 -0.441 0.000 1.120 81 E HN 0.318 nan 8.360 nan 0.000 0.397 82 F N 0.956 120.837 119.950 -0.115 0.000 2.593 82 F HA 0.231 4.758 4.527 -0.000 0.000 0.320 82 F C -0.038 175.718 175.800 -0.073 0.000 1.060 82 F CA -1.387 56.577 58.000 -0.060 0.000 0.940 82 F CB 1.395 40.418 39.000 0.039 0.000 1.268 82 F HN 0.546 nan 8.300 nan 0.000 0.475 83 D N 1.093 121.550 120.400 0.096 0.000 2.737 83 D HA -0.273 4.367 4.640 -0.000 0.000 0.233 83 D C 1.427 177.688 176.300 -0.065 0.000 1.155 83 D CA 0.808 54.809 54.000 0.001 0.000 0.667 83 D CB -1.014 39.818 40.800 0.053 0.000 1.060 83 D HN 0.746 nan 8.370 nan 0.000 0.427 84 M N -1.020 118.441 119.600 -0.231 0.000 2.213 84 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 84 M C 0.825 177.011 176.300 -0.191 0.000 1.062 84 M CA 1.656 56.771 55.300 -0.307 0.000 1.105 84 M CB 0.052 32.294 32.600 -0.597 0.000 1.385 84 M HN 0.055 nan 8.290 nan 0.000 0.417 85 F N -0.239 119.729 119.950 0.030 0.000 2.647 85 F HA 0.313 4.840 4.527 -0.000 0.000 0.300 85 F C 0.376 176.176 175.800 0.001 0.000 1.106 85 F CA -1.051 56.956 58.000 0.011 0.000 1.313 85 F CB -1.198 37.805 39.000 0.005 0.000 1.007 85 F HN -0.270 nan 8.300 nan 0.000 0.536 86 V N 1.705 121.688 119.914 0.116 0.000 2.673 86 V HA 0.172 4.292 4.120 -0.000 0.000 0.303 86 V C 0.692 176.818 176.094 0.053 0.000 1.046 86 V CA 0.321 62.664 62.300 0.071 0.000 1.126 86 V CB 0.705 32.553 31.823 0.042 0.000 0.934 86 V HN 0.502 nan 8.190 nan 0.000 0.487 87 T N 2.012 116.577 114.554 0.019 0.000 2.907 87 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 87 T C -0.300 174.375 174.700 -0.043 0.000 1.043 87 T CA -0.808 61.261 62.100 -0.051 0.000 1.003 87 T CB 1.511 70.314 68.868 -0.108 0.000 1.084 87 T HN 0.883 nan 8.240 nan 0.000 0.483 88 H N 1.251 120.341 119.070 0.032 0.000 2.660 88 H HA 0.387 4.943 4.556 0.000 0.000 0.374 88 H C -0.223 175.116 175.328 0.018 0.000 1.291 88 H CA -0.856 55.207 56.048 0.026 0.000 1.437 88 H CB 0.709 30.489 29.762 0.030 0.000 1.509 88 H HN 0.624 nan 8.280 nan 0.000 0.614 89 R N 0.974 121.661 120.500 0.312 0.000 2.700 89 R HA 0.202 4.542 4.340 -0.000 0.000 0.377 89 R C -0.426 175.988 176.300 0.190 0.000 1.130 89 R CA -0.336 55.884 56.100 0.201 0.000 1.055 89 R CB -0.237 30.116 30.300 0.088 0.000 1.387 89 R HN 0.416 nan 8.270 nan 0.000 0.580 90 C N 1.188 120.663 119.300 0.292 0.000 2.466 90 C HA 0.365 4.825 4.460 -0.000 0.000 0.379 90 C C 1.791 176.817 174.990 0.059 0.000 1.251 90 C CA 0.224 59.239 59.018 -0.005 0.000 2.263 90 C CB 0.778 28.305 27.740 -0.356 0.000 2.511 90 C HN 0.718 nan 8.230 nan 0.000 0.573 91 T N -0.461 114.081 114.554 -0.020 0.000 3.009 91 T HA 0.207 4.557 4.350 -0.000 0.000 0.267 91 T C -0.035 174.604 174.700 -0.102 0.000 0.942 91 T CA -0.170 61.915 62.100 -0.024 0.000 0.883 91 T CB -0.165 68.689 68.868 -0.025 0.000 1.192 91 T HN 0.648 nan 8.240 nan 0.000 0.524 92 D N 1.628 121.909 120.400 -0.197 0.000 2.377 92 D HA 0.333 4.973 4.640 -0.000 0.000 0.245 92 D C 0.325 176.439 176.300 -0.310 0.000 1.196 92 D CA -0.638 53.090 54.000 -0.453 0.000 0.962 92 D CB 0.073 40.393 40.800 -0.801 0.000 1.127 92 D HN 0.155 nan 8.370 nan 0.000 0.471 93 F N 0.342 120.291 119.950 -0.002 0.000 2.926 93 F HA -0.297 4.230 4.527 -0.000 0.000 0.236 93 F C 0.869 176.672 175.800 0.006 0.000 1.013 93 F CA 0.194 58.194 58.000 0.000 0.000 0.826 93 F CB -2.338 36.658 39.000 -0.006 0.000 0.695 93 F HN 0.326 nan 8.300 nan 0.000 0.810 94 N N -2.842 115.916 118.700 0.097 0.000 2.693 94 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 94 N C 0.597 176.166 175.510 0.097 0.000 1.119 94 N CA 1.268 54.368 53.050 0.082 0.000 0.717 94 N CB -0.563 37.976 38.487 0.087 0.000 1.071 94 N HN 0.395 nan 8.380 nan 0.000 0.555 99 D N 1.221 121.679 120.400 0.097 0.000 2.350 99 D HA 0.070 4.710 4.640 -0.000 0.000 0.213 99 D C -0.103 176.231 176.300 0.057 0.000 1.031 99 D CA 0.325 54.360 54.000 0.058 0.000 0.861 99 D CB 0.772 41.602 40.800 0.051 0.000 0.926 99 D HN 0.318 nan 8.370 nan 0.000 0.520 100 Q N 1.053 120.911 119.800 0.097 0.000 2.798 100 Q HA 0.176 4.516 4.340 -0.000 0.000 0.250 100 Q C -0.793 175.263 176.000 0.095 0.000 1.006 100 Q CA -0.233 55.624 55.803 0.090 0.000 0.759 100 Q CB 0.494 29.295 28.738 0.106 0.000 1.201 100 Q HN -0.162 nan 8.270 nan 0.000 0.486 101 K N 3.772 124.150 120.400 -0.037 0.000 2.655 101 K HA 0.288 4.608 4.320 -0.000 0.000 0.213 101 K C -2.248 174.297 176.600 -0.092 0.000 1.126 101 K CA -1.389 54.780 56.287 -0.197 0.000 1.076 101 K CB 0.757 33.094 32.500 -0.271 0.000 1.644 101 K HN 0.440 nan 8.250 nan 0.000 0.523 102 P HA -0.026 nan 4.420 nan 0.000 0.269 102 P C -0.425 176.886 177.300 0.017 0.000 1.217 102 P CA -0.182 62.924 63.100 0.009 0.000 0.783 102 P CB 0.774 32.494 31.700 0.033 0.000 0.898 103 A N 0.884 123.732 122.820 0.048 0.000 2.363 103 A HA 0.522 4.842 4.320 -0.000 0.000 0.270 103 A C 1.373 179.012 177.584 0.092 0.000 1.121 103 A CA 0.404 52.502 52.037 0.101 0.000 0.800 103 A CB -0.559 18.547 19.000 0.177 0.000 1.052 103 A HN 0.906 nan 8.150 nan 0.000 0.493 104 G N 1.321 110.172 108.800 0.086 0.000 2.284 104 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.247 104 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.247 104 G C 0.419 175.329 174.900 0.017 0.000 1.012 104 G CA 0.924 46.051 45.100 0.045 0.000 0.618 104 G HN 1.919 nan 8.290 nan 0.000 0.521 105 D N -1.266 119.156 120.400 0.037 0.000 2.751 105 D HA 0.157 4.797 4.640 -0.000 0.000 0.233 105 D C 1.881 178.199 176.300 0.030 0.000 1.149 105 D CA 3.231 57.266 54.000 0.058 0.000 0.682 105 D CB -1.256 39.592 40.800 0.081 0.000 1.068 105 D HN 2.207 nan 8.370 nan 0.000 0.429 106 G N -2.750 106.048 108.800 -0.004 0.000 2.194 106 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.236 106 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.236 106 G C 0.223 175.005 174.900 -0.196 0.000 0.987 106 G CA 0.234 45.318 45.100 -0.027 0.000 0.635 106 G HN 1.226 nan 8.290 nan 0.000 0.520 107 V N 0.239 119.981 119.914 -0.288 0.000 2.932 107 V HA 0.689 4.809 4.120 -0.000 0.000 0.307 107 V C -0.670 175.388 176.094 -0.060 0.000 1.147 107 V CA -0.610 61.532 62.300 -0.263 0.000 0.951 107 V CB 2.367 33.816 31.823 -0.625 0.000 1.031 107 V HN 0.543 nan 8.190 nan 0.000 0.426 108 V N 5.483 125.421 119.914 0.039 0.000 2.350 108 V HA 0.637 4.756 4.120 -0.000 0.000 0.276 108 V C 0.338 176.544 176.094 0.186 0.000 1.028 108 V CA 0.024 62.384 62.300 0.101 0.000 0.860 108 V CB 1.566 33.430 31.823 0.069 0.000 0.990 108 V HN 1.061 nan 8.190 nan 0.000 0.453 109 T N 1.628 116.318 114.554 0.226 0.000 2.930 109 T HA 0.991 5.341 4.350 -0.000 0.000 0.290 109 T C 0.046 174.915 174.700 0.282 0.000 1.052 109 T CA -0.112 62.161 62.100 0.289 0.000 1.017 109 T CB 2.331 71.356 68.868 0.261 0.000 1.137 109 T HN 1.258 nan 8.240 nan 0.000 0.511 110 G N -0.146 108.811 108.800 0.261 0.000 2.367 110 G HA2 0.430 4.390 3.960 -0.000 0.000 0.272 110 G HA3 0.430 4.390 3.960 -0.000 0.000 0.272 110 G C -2.000 172.986 174.900 0.143 0.000 1.271 110 G CA -0.362 44.689 45.100 -0.081 0.000 0.893 110 G HN 1.218 nan 8.290 nan 0.000 0.485 111 W N -0.102 121.009 121.300 -0.315 0.000 3.038 111 W HA 0.856 5.516 4.660 -0.000 0.000 0.347 111 W C 0.022 176.456 176.519 -0.141 0.000 1.219 111 W CA -0.755 56.420 57.345 -0.283 0.000 1.142 111 W CB 1.019 30.108 29.460 -0.618 0.000 1.484 111 W HN 1.944 nan 8.180 nan 0.000 0.586 112 G N 0.375 109.092 108.800 -0.139 0.000 2.348 112 G HA2 0.526 4.486 3.960 -0.000 0.000 0.296 112 G HA3 0.526 4.486 3.960 -0.000 0.000 0.296 112 G C -1.468 173.412 174.900 -0.034 0.000 1.258 112 G CA -0.069 44.839 45.100 -0.319 0.000 0.868 112 G HN 0.878 nan 8.290 nan 0.000 0.488 113 T N -1.836 112.683 114.554 -0.059 0.000 2.906 113 T HA 0.753 5.103 4.350 -0.000 0.000 0.295 113 T C -0.771 173.912 174.700 -0.028 0.000 1.075 113 T CA -0.654 61.446 62.100 0.000 0.000 1.005 113 T CB 2.118 70.999 68.868 0.022 0.000 1.136 113 T HN 0.627 nan 8.240 nan 0.000 0.498 114 I N 2.353 122.912 120.570 -0.020 0.000 2.466 114 I HA 0.375 4.545 4.170 -0.000 0.000 0.279 114 I C 0.057 176.155 176.117 -0.032 0.000 1.033 114 I CA -0.701 60.577 61.300 -0.037 0.000 1.123 114 I CB 0.766 38.738 38.000 -0.045 0.000 1.237 114 I HN 0.780 nan 8.210 nan 0.000 0.460 115 N N 4.754 123.434 118.700 -0.033 0.000 2.815 115 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 115 N C 0.880 176.381 175.510 -0.016 0.000 1.114 115 N CA 1.106 54.139 53.050 -0.028 0.000 0.717 115 N CB -0.699 37.766 38.487 -0.037 0.000 1.074 115 N HN 1.138 nan 8.380 nan 0.000 0.555 116 G N -0.512 108.283 108.800 -0.008 0.000 2.175 116 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.244 116 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.244 116 G C 0.055 174.969 174.900 0.023 0.000 0.982 116 G CA 0.519 45.624 45.100 0.008 0.000 0.641 116 G HN 0.484 nan 8.290 nan 0.000 0.527 117 R N 0.231 120.740 120.500 0.015 0.000 2.294 117 R HA 0.555 4.895 4.340 -0.000 0.000 0.319 117 R C 0.476 176.800 176.300 0.040 0.000 0.984 117 R CA -0.740 55.374 56.100 0.024 0.000 0.861 117 R CB 2.121 32.425 30.300 0.007 0.000 1.104 117 R HN 0.080 nan 8.270 nan 0.000 0.451 118 V N 3.775 123.725 119.914 0.059 0.000 2.694 118 V HA 0.017 4.137 4.120 -0.000 0.000 0.306 118 V C 0.247 176.354 176.094 0.022 0.000 1.054 118 V CA 0.516 62.852 62.300 0.060 0.000 1.161 118 V CB 0.979 32.799 31.823 -0.005 0.000 0.916 118 V HN 0.455 nan 8.190 nan 0.000 0.490 119 V N 5.167 125.071 119.914 -0.017 0.000 2.932 119 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 119 V C -1.334 174.724 176.094 -0.061 0.000 1.147 119 V CA -0.758 61.549 62.300 0.013 0.000 0.951 119 V CB 2.420 34.261 31.823 0.031 0.000 1.031 119 V HN 0.729 nan 8.190 nan 0.000 0.426 120 Y N 3.108 123.514 120.300 0.176 0.000 2.387 120 Y HA 0.777 5.327 4.550 -0.000 0.000 0.336 120 Y C 0.109 176.112 175.900 0.171 0.000 1.067 120 Y CA -0.414 57.811 58.100 0.209 0.000 1.114 120 Y CB 2.067 40.645 38.460 0.197 0.000 1.208 120 Y HN 0.432 nan 8.280 nan 0.000 0.458 121 V N 4.762 124.870 119.914 0.324 0.000 3.159 121 V HA 0.733 4.853 4.120 -0.000 0.000 0.308 121 V C -1.882 174.372 176.094 0.268 0.000 1.190 121 V CA -1.075 61.337 62.300 0.187 0.000 1.037 121 V CB 2.330 34.168 31.823 0.026 0.000 1.060 121 V HN 0.608 nan 8.190 nan 0.000 0.437 122 F N 2.408 122.415 119.950 0.094 0.000 2.604 122 F HA 0.822 5.349 4.527 -0.000 0.000 0.316 122 F C -0.910 174.910 175.800 0.033 0.000 1.136 122 F CA -0.513 57.532 58.000 0.075 0.000 0.989 122 F CB 1.618 40.678 39.000 0.100 0.000 1.258 122 F HN 0.456 nan 8.300 nan 0.000 0.451 123 S N 3.315 119.059 115.700 0.073 0.000 2.552 123 S HA 0.392 4.862 4.470 -0.000 0.000 0.314 123 S C -0.996 173.681 174.600 0.128 0.000 1.099 123 S CA -0.506 57.684 58.200 -0.018 0.000 1.070 123 S CB 1.142 64.289 63.200 -0.088 0.000 0.998 123 S HN 0.806 nan 8.310 nan 0.000 0.474 124 Q N 2.688 122.601 119.800 0.188 0.000 2.304 124 Q HA 0.154 4.494 4.340 -0.000 0.000 0.260 124 Q C -0.829 175.250 176.000 0.132 0.000 0.965 124 Q CA -0.141 55.782 55.803 0.200 0.000 0.898 124 Q CB 0.704 29.623 28.738 0.303 0.000 1.196 124 Q HN 0.555 nan 8.270 nan 0.000 0.402 125 D N 2.755 123.216 120.400 0.101 0.000 2.479 125 D HA 0.015 4.655 4.640 -0.000 0.000 0.218 125 D C 0.178 176.571 176.300 0.155 0.000 1.131 125 D CA -0.378 53.681 54.000 0.099 0.000 0.916 125 D CB 0.100 40.925 40.800 0.043 0.000 1.022 125 D HN 0.460 nan 8.370 nan 0.000 0.515 126 F N 2.543 122.506 119.950 0.022 0.000 2.236 126 F HA -0.228 4.299 4.527 -0.000 0.000 0.302 126 F C 2.303 178.115 175.800 0.020 0.000 1.073 126 F CA 1.936 59.950 58.000 0.025 0.000 1.336 126 F CB -0.433 38.572 39.000 0.008 0.000 1.040 126 F HN 0.378 nan 8.300 nan 0.000 0.507 127 T N -2.558 111.965 114.554 -0.052 0.000 3.113 127 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 127 T C 0.607 175.238 174.700 -0.115 0.000 1.143 127 T CA 0.594 62.609 62.100 -0.141 0.000 1.090 127 T CB -0.843 67.988 68.868 -0.063 0.000 0.922 127 T HN -0.077 nan 8.240 nan 0.000 0.521 128 V N 2.732 122.607 119.914 -0.064 0.000 2.275 128 V HA 0.392 4.512 4.120 -0.000 0.000 0.272 128 V C 0.476 176.565 176.094 -0.009 0.000 1.028 128 V CA -0.945 61.341 62.300 -0.023 0.000 0.810 128 V CB 0.306 32.137 31.823 0.013 0.000 1.043 128 V HN 0.533 nan 8.190 nan 0.000 0.453 129 L N 4.407 125.614 121.223 -0.028 0.000 3.678 129 L HA -0.263 4.077 4.340 -0.000 0.000 0.425 129 L C 1.567 178.427 176.870 -0.017 0.000 1.240 129 L CA 0.582 55.420 54.840 -0.003 0.000 0.876 129 L CB -1.479 40.615 42.059 0.058 0.000 1.766 129 L HN 1.023 nan 8.230 nan 0.000 0.917 130 G N -0.908 107.807 108.800 -0.142 0.000 2.200 130 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.267 130 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.267 130 G C 1.125 176.098 174.900 0.122 0.000 0.993 130 G CA 0.805 45.775 45.100 -0.216 0.000 0.701 130 G HN 1.966 nan 8.290 nan 0.000 0.524 131 G N -1.178 107.702 108.800 0.133 0.000 2.249 131 G HA2 0.072 4.032 3.960 -0.000 0.000 0.273 131 G HA3 0.072 4.032 3.960 -0.000 0.000 0.273 131 G C 0.633 175.702 174.900 0.282 0.000 1.036 131 G CA 1.280 46.533 45.100 0.255 0.000 0.824 131 G HN 2.402 nan 8.290 nan 0.000 0.504 132 S N -1.286 114.527 115.700 0.188 0.000 2.549 132 S HA 0.534 5.004 4.470 -0.000 0.000 0.279 132 S C 0.493 175.118 174.600 0.042 0.000 1.321 132 S CA -0.348 57.923 58.200 0.119 0.000 1.054 132 S CB 2.242 65.495 63.200 0.087 0.000 0.899 132 S HN 0.999 nan 8.310 nan 0.000 0.497 133 V N 4.333 124.156 119.914 -0.152 0.000 2.439 133 V HA 0.370 4.490 4.120 -0.000 0.000 0.271 133 V C 0.810 176.711 176.094 -0.322 0.000 1.040 133 V CA 0.044 62.030 62.300 -0.523 0.000 1.002 133 V CB -0.103 31.190 31.823 -0.885 0.000 1.000 133 V HN 1.119 nan 8.190 nan 0.000 0.477 134 S N 3.054 118.619 115.700 -0.225 0.000 2.798 134 S HA 0.441 4.911 4.470 -0.000 0.000 0.312 134 S C 0.976 175.501 174.600 -0.124 0.000 1.122 134 S CA -0.375 57.760 58.200 -0.110 0.000 0.949 134 S CB 1.677 64.877 63.200 0.001 0.000 1.235 134 S HN 0.704 nan 8.310 nan 0.000 0.552 135 E N 0.603 120.764 120.200 -0.064 0.000 2.058 135 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 135 E C 1.736 178.318 176.600 -0.031 0.000 0.997 135 E CA 2.123 58.489 56.400 -0.057 0.000 0.801 135 E CB -0.699 28.989 29.700 -0.021 0.000 0.746 135 E HN 0.864 nan 8.360 nan 0.000 0.450 136 T N -2.045 112.522 114.554 0.023 0.000 2.951 136 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 136 T C 1.834 176.576 174.700 0.070 0.000 1.073 136 T CA 1.504 63.632 62.100 0.047 0.000 1.134 136 T CB -0.621 68.294 68.868 0.078 0.000 0.884 136 T HN 0.429 nan 8.240 nan 0.000 0.479 137 H N 1.572 120.607 119.070 -0.058 0.000 2.326 137 H HA -0.081 4.475 4.556 0.000 0.000 0.301 137 H C 2.593 177.831 175.328 -0.149 0.000 1.081 137 H CA 1.538 57.538 56.048 -0.081 0.000 1.334 137 H CB -0.094 29.611 29.762 -0.094 0.000 1.385 137 H HN 0.473 nan 8.280 nan 0.000 0.504 138 S N 0.503 116.187 115.700 -0.026 0.000 2.348 138 S HA -0.200 4.270 4.470 -0.000 0.000 0.221 138 S C 2.086 176.633 174.600 -0.088 0.000 1.033 138 S CA 1.330 59.436 58.200 -0.157 0.000 1.010 138 S CB -0.345 62.693 63.200 -0.270 0.000 0.891 138 S HN 0.431 nan 8.310 nan 0.000 0.442 139 K N 1.120 121.487 120.400 -0.056 0.000 2.107 139 K HA -0.187 4.133 4.320 -0.000 0.000 0.211 139 K C 2.416 179.009 176.600 -0.013 0.000 1.049 139 K CA 1.914 58.182 56.287 -0.032 0.000 0.927 139 K CB -0.319 32.173 32.500 -0.014 0.000 0.714 139 K HN 0.494 nan 8.250 nan 0.000 0.452 140 K N 0.461 120.863 120.400 0.004 0.000 2.057 140 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 140 K C 2.162 178.774 176.600 0.022 0.000 1.049 140 K CA 1.184 57.488 56.287 0.028 0.000 0.931 140 K CB -0.089 32.424 32.500 0.022 0.000 0.714 140 K HN 0.157 nan 8.250 nan 0.000 0.440 141 I N 0.619 121.154 120.570 -0.058 0.000 2.315 141 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 141 I C 2.349 178.430 176.117 -0.059 0.000 1.117 141 I CA 0.816 62.025 61.300 -0.153 0.000 1.404 141 I CB -0.547 37.175 38.000 -0.463 0.000 1.071 141 I HN 0.258 nan 8.210 nan 0.000 0.419 142 C N 0.943 120.209 119.300 -0.056 0.000 2.429 142 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 142 C C 2.896 177.885 174.990 -0.001 0.000 1.262 142 C CA 0.910 59.910 59.018 -0.030 0.000 1.733 142 C CB -0.971 26.746 27.740 -0.039 0.000 2.010 142 C HN 0.484 nan 8.230 nan 0.000 0.483 143 K N 1.468 121.879 120.400 0.019 0.000 2.044 143 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 143 K C 1.714 178.353 176.600 0.065 0.000 1.049 143 K CA 2.247 58.558 56.287 0.040 0.000 0.927 143 K CB -0.304 32.240 32.500 0.073 0.000 0.713 143 K HN 0.692 nan 8.250 nan 0.000 0.443 144 I N -2.124 118.523 120.570 0.129 0.000 2.761 144 I HA -0.100 4.070 4.170 -0.000 0.000 0.261 144 I C 2.153 178.251 176.117 -0.031 0.000 1.198 144 I CA 0.748 62.130 61.300 0.137 0.000 1.482 144 I CB -0.166 38.037 38.000 0.338 0.000 1.100 144 I HN 0.068 nan 8.210 nan 0.000 0.445 145 M N 1.046 120.659 119.600 0.022 0.000 2.123 145 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 145 M C 1.711 177.973 176.300 -0.064 0.000 1.069 145 M CA 1.700 57.007 55.300 0.012 0.000 1.133 145 M CB -0.586 32.041 32.600 0.045 0.000 1.356 145 M HN 0.192 nan 8.290 nan 0.000 0.415 146 D N 0.324 120.689 120.400 -0.060 0.000 2.149 146 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 146 D C 1.813 178.028 176.300 -0.142 0.000 0.990 146 D CA 1.308 55.266 54.000 -0.071 0.000 0.839 146 D CB -0.151 40.620 40.800 -0.048 0.000 0.948 146 D HN 0.279 nan 8.370 nan 0.000 0.460 147 M N -0.108 119.349 119.600 -0.238 0.000 2.288 147 M HA -0.016 4.464 4.480 -0.000 0.000 0.266 147 M C 1.928 177.813 176.300 -0.692 0.000 1.072 147 M CA 0.999 56.057 55.300 -0.404 0.000 1.132 147 M CB 0.180 32.544 32.600 -0.393 0.000 1.386 147 M HN 0.003 nan 8.290 nan 0.000 0.432 148 A N 0.238 122.586 122.820 -0.787 0.000 1.933 148 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 148 A C 2.086 179.594 177.584 -0.126 0.000 1.175 148 A CA 1.600 53.340 52.037 -0.495 0.000 0.628 148 A CB -0.580 18.350 19.000 -0.117 0.000 0.814 148 A HN 0.537 nan 8.150 nan 0.000 0.444 149 M N -1.302 118.240 119.600 -0.097 0.000 2.156 149 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 149 M C 2.295 178.581 176.300 -0.024 0.000 1.067 149 M CA 1.384 56.672 55.300 -0.020 0.000 1.131 149 M CB -0.533 32.064 32.600 -0.006 0.000 1.368 149 M HN 0.478 nan 8.290 nan 0.000 0.416 150 Q N 0.233 119.997 119.800 -0.059 0.000 2.364 150 Q HA -0.116 4.224 4.340 -0.000 0.000 0.207 150 Q C 0.582 176.570 176.000 -0.021 0.000 0.970 150 Q CA 1.023 56.802 55.803 -0.039 0.000 0.888 150 Q CB -0.033 28.672 28.738 -0.054 0.000 0.951 150 Q HN 0.545 nan 8.270 nan 0.000 0.469 151 N N -1.506 117.186 118.700 -0.013 0.000 2.171 151 N HA 0.164 4.904 4.740 -0.000 0.000 0.212 151 N C -0.352 175.204 175.510 0.078 0.000 1.184 151 N CA 0.418 53.490 53.050 0.038 0.000 0.888 151 N CB 1.732 40.267 38.487 0.079 0.000 1.038 151 N HN 0.160 nan 8.380 nan 0.000 0.517 152 G N 0.677 109.523 108.800 0.076 0.000 2.351 152 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.297 152 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.297 152 G C -0.332 174.651 174.900 0.138 0.000 1.054 152 G CA 0.345 45.505 45.100 0.100 0.000 1.123 152 G HN 0.536 nan 8.290 nan 0.000 0.512 153 A N 0.793 123.730 122.820 0.195 0.000 2.449 153 A HA 0.956 5.276 4.320 -0.000 0.000 0.302 153 A C -2.234 175.504 177.584 0.257 0.000 1.048 153 A CA -1.502 50.680 52.037 0.242 0.000 0.708 153 A CB 2.065 21.280 19.000 0.359 0.000 1.274 153 A HN 0.170 nan 8.150 nan 0.000 0.410 154 P HA 0.267 nan 4.420 nan 0.000 0.272 154 P C -0.725 176.719 177.300 0.240 0.000 1.248 154 P CA -0.072 63.135 63.100 0.179 0.000 0.799 154 P CB 0.480 32.246 31.700 0.110 0.000 0.997 155 V N 1.828 121.872 119.914 0.216 0.000 2.525 155 V HA 0.281 4.401 4.120 -0.000 0.000 0.299 155 V C -0.220 175.978 176.094 0.175 0.000 1.034 155 V CA -0.382 62.064 62.300 0.244 0.000 0.863 155 V CB 1.462 33.442 31.823 0.262 0.000 0.999 155 V HN 0.270 nan 8.190 nan 0.000 0.423 156 I N 4.177 124.811 120.570 0.107 0.000 2.312 156 I HA 0.624 4.794 4.170 -0.000 0.000 0.290 156 I C 0.882 176.872 176.117 -0.211 0.000 1.008 156 I CA 0.158 61.456 61.300 -0.004 0.000 1.226 156 I CB 1.568 39.545 38.000 -0.037 0.000 1.371 156 I HN 0.666 nan 8.210 nan 0.000 0.468 157 G N 7.140 115.775 108.800 -0.275 0.000 2.370 157 G HA2 0.667 4.627 3.960 -0.000 0.000 0.317 157 G HA3 0.667 4.627 3.960 -0.000 0.000 0.317 157 G C -0.443 174.086 174.900 -0.619 0.000 1.162 157 G CA -0.381 44.181 45.100 -0.898 0.000 0.922 157 G HN 0.512 nan 8.290 nan 0.000 0.454 158 I N 2.546 122.630 120.570 -0.811 0.000 2.347 158 I HA 0.150 4.320 4.170 -0.000 0.000 0.283 158 I C -0.592 175.455 176.117 -0.118 0.000 1.058 158 I CA -0.748 60.368 61.300 -0.307 0.000 1.202 158 I CB 0.915 38.774 38.000 -0.234 0.000 1.386 158 I HN 0.332 nan 8.210 nan 0.000 0.475 159 N N 4.635 123.330 118.700 -0.009 0.000 2.455 159 N HA 0.395 5.135 4.740 -0.000 0.000 0.280 159 N C -0.653 174.856 175.510 -0.003 0.000 1.055 159 N CA -0.368 52.738 53.050 0.094 0.000 0.961 159 N CB 1.003 39.552 38.487 0.104 0.000 1.121 159 N HN 0.447 nan 8.380 nan 0.000 0.476 160 D N 0.407 120.816 120.400 0.015 0.000 2.881 160 D HA 0.140 4.780 4.640 -0.000 0.000 0.238 160 D C -1.661 174.640 176.300 0.002 0.000 1.368 160 D CA -0.222 53.717 54.000 -0.102 0.000 0.871 160 D CB 0.145 40.897 40.800 -0.080 0.000 1.516 160 D HN 0.308 nan 8.370 nan 0.000 0.544 161 S N 0.287 115.983 115.700 -0.007 0.000 2.570 161 S HA 0.670 5.140 4.470 -0.000 0.000 0.286 161 S C 1.249 175.929 174.600 0.134 0.000 1.099 161 S CA -0.124 58.177 58.200 0.169 0.000 0.913 161 S CB 1.439 64.747 63.200 0.180 0.000 1.085 161 S HN 0.289 nan 8.310 nan 0.000 0.480 162 G N 1.232 110.222 108.800 0.317 0.000 2.534 162 G HA2 0.459 4.419 3.960 -0.000 0.000 0.217 162 G HA3 0.459 4.419 3.960 -0.000 0.000 0.217 162 G C 0.946 175.950 174.900 0.173 0.000 1.128 162 G CA 0.530 45.803 45.100 0.287 0.000 0.784 162 G HN 1.644 nan 8.290 nan 0.000 0.542 163 G N -1.118 107.775 108.800 0.155 0.000 2.297 163 G HA2 0.442 4.402 3.960 -0.000 0.000 0.209 163 G HA3 0.442 4.402 3.960 -0.000 0.000 0.209 163 G C 0.016 175.027 174.900 0.186 0.000 1.267 163 G CA -0.201 44.992 45.100 0.155 0.000 1.127 163 G HN 1.186 nan 8.290 nan 0.000 0.498 164 A N -0.232 122.723 122.820 0.225 0.000 2.425 164 A HA 0.634 4.954 4.320 -0.000 0.000 0.242 164 A C 0.943 178.600 177.584 0.121 0.000 1.077 164 A CA 0.952 53.135 52.037 0.243 0.000 0.781 164 A CB 0.251 19.430 19.000 0.299 0.000 1.020 164 A HN 1.171 nan 8.150 nan 0.000 0.494 165 R N 2.719 123.262 120.500 0.072 0.000 2.870 165 R HA 0.202 4.542 4.340 -0.000 0.000 0.254 165 R C 0.534 176.866 176.300 0.053 0.000 1.392 165 R CA -0.584 55.541 56.100 0.042 0.000 1.322 165 R CB -0.462 29.840 30.300 0.003 0.000 1.205 165 R HN 0.731 nan 8.270 nan 0.000 0.597 166 I N 2.113 122.720 120.570 0.062 0.000 2.227 166 I HA -0.384 3.786 4.170 -0.000 0.000 0.250 166 I C 1.542 177.722 176.117 0.105 0.000 1.087 166 I CA 1.634 62.973 61.300 0.065 0.000 1.352 166 I CB -0.934 37.081 38.000 0.024 0.000 1.043 166 I HN 0.604 nan 8.210 nan 0.000 0.425 167 Q N 0.534 120.410 119.800 0.127 0.000 2.291 167 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 167 Q C 1.889 177.999 176.000 0.183 0.000 0.976 167 Q CA 0.911 56.893 55.803 0.299 0.000 0.875 167 Q CB -0.203 28.700 28.738 0.275 0.000 0.927 167 Q HN 0.556 nan 8.270 nan 0.000 0.450 168 E N -0.129 120.115 120.200 0.073 0.000 2.502 168 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 168 E C 1.041 177.669 176.600 0.045 0.000 1.062 168 E CA 0.457 56.870 56.400 0.022 0.000 0.867 168 E CB 0.027 29.718 29.700 -0.014 0.000 0.888 168 E HN 0.372 nan 8.360 nan 0.000 0.510 169 G N 1.513 110.367 108.800 0.089 0.000 2.596 169 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.295 169 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.295 169 G C 1.186 176.125 174.900 0.066 0.000 1.240 169 G CA 1.234 46.384 45.100 0.084 0.000 0.985 169 G HN 0.360 nan 8.290 nan 0.000 0.555 170 V N -1.802 118.144 119.914 0.054 0.000 2.867 170 V HA -0.001 4.119 4.120 -0.000 0.000 0.260 170 V C 2.012 178.131 176.094 0.043 0.000 1.099 170 V CA 2.805 65.136 62.300 0.052 0.000 1.122 170 V CB -0.500 31.348 31.823 0.043 0.000 0.708 170 V HN 0.582 nan 8.190 nan 0.000 0.490 171 D N 0.458 120.874 120.400 0.026 0.000 2.264 171 D HA -0.106 4.534 4.640 -0.000 0.000 0.208 171 D C 2.265 178.560 176.300 -0.008 0.000 0.966 171 D CA 1.600 55.603 54.000 0.006 0.000 0.864 171 D CB 0.298 41.095 40.800 -0.005 0.000 0.933 171 D HN 0.596 nan 8.370 nan 0.000 0.499 172 S N -0.190 115.522 115.700 0.020 0.000 2.395 172 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 172 S C 2.122 176.794 174.600 0.120 0.000 1.027 172 S CA 0.178 58.389 58.200 0.018 0.000 0.965 172 S CB 0.039 63.289 63.200 0.083 0.000 0.812 172 S HN 0.153 nan 8.310 nan 0.000 0.482 173 L N 1.221 122.536 121.223 0.153 0.000 1.994 173 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 173 L C 3.010 179.956 176.870 0.127 0.000 1.071 173 L CA 1.349 56.306 54.840 0.197 0.000 0.745 173 L CB -0.890 41.246 42.059 0.128 0.000 0.892 173 L HN 0.395 nan 8.230 nan 0.000 0.431 174 A N 0.514 123.367 122.820 0.056 0.000 1.892 174 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 174 A C 2.394 179.950 177.584 -0.046 0.000 1.188 174 A CA 2.028 54.075 52.037 0.017 0.000 0.631 174 A CB -1.494 17.509 19.000 0.005 0.000 0.822 174 A HN 0.486 nan 8.150 nan 0.000 0.447 175 G N -1.560 107.178 108.800 -0.102 0.000 2.513 175 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 175 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 175 G C 1.455 176.153 174.900 -0.336 0.000 1.160 175 G CA 1.420 46.383 45.100 -0.230 0.000 0.767 175 G HN 0.556 nan 8.290 nan 0.000 0.571 176 Y N 1.320 121.428 120.300 -0.321 0.000 2.181 176 Y HA -0.026 4.524 4.550 0.000 0.000 0.288 176 Y C 3.062 178.454 175.900 -0.846 0.000 1.146 176 Y CA 0.840 58.542 58.100 -0.663 0.000 1.164 176 Y CB -0.802 37.312 38.460 -0.577 0.000 0.982 176 Y HN 0.203 nan 8.280 nan 0.000 0.515 177 G N 0.065 108.749 108.800 -0.194 0.000 2.514 177 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 177 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 177 G C 1.569 176.451 174.900 -0.030 0.000 1.198 177 G CA 1.288 46.384 45.100 -0.007 0.000 0.780 177 G HN 0.306 nan 8.290 nan 0.000 0.565 178 E N 0.354 120.512 120.200 -0.071 0.000 2.160 178 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 178 E C 2.812 179.378 176.600 -0.056 0.000 0.991 178 E CA 0.801 57.173 56.400 -0.046 0.000 0.810 178 E CB -0.535 29.130 29.700 -0.058 0.000 0.742 178 E HN 0.356 nan 8.360 nan 0.000 0.466 179 V N 1.216 121.038 119.914 -0.153 0.000 2.244 179 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 179 V C 2.145 178.270 176.094 0.052 0.000 1.042 179 V CA 1.614 63.845 62.300 -0.116 0.000 1.006 179 V CB -0.630 31.053 31.823 -0.235 0.000 0.641 179 V HN 0.053 nan 8.190 nan 0.000 0.446 180 F N 0.534 120.526 119.950 0.071 0.000 2.027 180 F HA -0.308 4.219 4.527 0.000 0.000 0.297 180 F C 2.634 178.458 175.800 0.040 0.000 1.129 180 F CA 2.067 60.106 58.000 0.066 0.000 1.195 180 F CB -1.585 37.455 39.000 0.067 0.000 0.960 180 F HN 0.174 nan 8.300 nan 0.000 0.485 181 Q N 0.610 120.555 119.800 0.242 0.000 2.118 181 Q HA -0.238 4.102 4.340 -0.000 0.000 0.211 181 Q C 2.262 178.320 176.000 0.097 0.000 0.998 181 Q CA 2.153 58.033 55.803 0.129 0.000 0.872 181 Q CB -0.331 28.460 28.738 0.088 0.000 0.925 181 Q HN 0.369 nan 8.270 nan 0.000 0.414 182 R N -0.496 120.057 120.500 0.088 0.000 2.066 182 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 182 R C 2.261 178.619 176.300 0.096 0.000 1.131 182 R CA 1.498 57.641 56.100 0.072 0.000 0.955 182 R CB -0.505 29.825 30.300 0.050 0.000 0.851 182 R HN 0.477 nan 8.270 nan 0.000 0.432 183 N N 0.571 119.351 118.700 0.133 0.000 2.061 183 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 183 N C 1.884 177.460 175.510 0.111 0.000 1.030 183 N CA 1.308 54.447 53.050 0.148 0.000 0.856 183 N CB -0.115 38.494 38.487 0.203 0.000 1.023 183 N HN 0.161 nan 8.380 nan 0.000 0.424 184 I N 0.684 121.311 120.570 0.095 0.000 2.179 184 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 184 I C 2.129 178.270 176.117 0.040 0.000 1.088 184 I CA 1.166 62.495 61.300 0.049 0.000 1.357 184 I CB -0.327 37.691 38.000 0.029 0.000 1.051 184 I HN 0.213 nan 8.210 nan 0.000 0.409 185 M N 0.503 120.132 119.600 0.047 0.000 2.202 185 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 185 M C 2.135 178.461 176.300 0.043 0.000 1.063 185 M CA 1.823 57.146 55.300 0.038 0.000 1.097 185 M CB -0.364 32.259 32.600 0.038 0.000 1.382 185 M HN 0.283 nan 8.290 nan 0.000 0.413 186 A N -1.008 121.852 122.820 0.067 0.000 2.275 186 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 186 A C 1.062 178.713 177.584 0.111 0.000 1.201 186 A CA -0.053 52.038 52.037 0.090 0.000 0.843 186 A CB -0.149 18.920 19.000 0.115 0.000 0.873 186 A HN 0.277 nan 8.150 nan 0.000 0.492 187 S N 0.165 115.914 115.700 0.081 0.000 2.515 187 S HA 0.387 4.857 4.470 -0.000 0.000 0.285 187 S C 1.385 176.005 174.600 0.032 0.000 1.265 187 S CA 0.866 59.119 58.200 0.088 0.000 1.079 187 S CB -0.166 63.059 63.200 0.043 0.000 0.877 187 S HN 1.732 nan 8.310 nan 0.000 0.493 188 G N 2.979 111.816 108.800 0.061 0.000 2.160 188 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.251 188 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.251 188 G C 0.442 175.055 174.900 -0.478 0.000 1.008 188 G CA 0.319 45.214 45.100 -0.341 0.000 0.724 188 G HN 0.803 nan 8.290 nan 0.000 0.514 189 V N -1.572 118.293 119.914 -0.083 0.000 3.473 189 V HA 0.539 4.659 4.120 -0.000 0.000 0.253 189 V C 0.728 176.956 176.094 0.222 0.000 1.340 189 V CA 1.034 63.326 62.300 -0.012 0.000 1.103 189 V CB 1.573 33.411 31.823 0.024 0.000 0.881 189 V HN 0.736 nan 8.190 nan 0.000 0.451 190 V N 0.698 120.868 119.914 0.427 0.000 3.000 190 V HA 0.489 4.609 4.120 -0.000 0.000 0.300 190 V C -2.949 173.396 176.094 0.418 0.000 1.251 190 V CA -1.881 60.664 62.300 0.407 0.000 0.972 190 V CB 3.095 35.054 31.823 0.228 0.000 1.065 190 V HN 0.123 nan 8.190 nan 0.000 0.431 191 P HA 0.340 nan 4.420 nan 0.000 0.271 191 P C -1.421 175.998 177.300 0.199 0.000 1.216 191 P CA 0.032 63.175 63.100 0.072 0.000 0.771 191 P CB 0.265 31.910 31.700 -0.092 0.000 0.864 192 Q N 2.467 122.412 119.800 0.241 0.000 2.464 192 Q HA 0.425 4.765 4.340 -0.000 0.000 0.256 192 Q C -0.648 175.489 176.000 0.228 0.000 1.020 192 Q CA -0.287 55.647 55.803 0.218 0.000 0.716 192 Q CB 1.172 30.033 28.738 0.205 0.000 1.230 192 Q HN 0.441 nan 8.270 nan 0.000 0.494 193 I N 1.477 122.187 120.570 0.235 0.000 2.304 193 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 193 I C 0.081 176.321 176.117 0.205 0.000 1.018 193 I CA -0.165 61.305 61.300 0.284 0.000 1.260 193 I CB 1.463 39.614 38.000 0.252 0.000 1.390 193 I HN 0.379 nan 8.210 nan 0.000 0.475 194 S N 7.646 123.461 115.700 0.191 0.000 2.457 194 S HA 0.554 5.024 4.470 -0.000 0.000 0.289 194 S C -0.208 174.484 174.600 0.153 0.000 1.163 194 S CA -0.591 57.683 58.200 0.123 0.000 1.078 194 S CB 0.771 64.019 63.200 0.080 0.000 0.987 194 S HN 0.450 nan 8.310 nan 0.000 0.482 195 M N 4.333 123.987 119.600 0.089 0.000 2.114 195 M HA 0.422 4.902 4.480 -0.000 0.000 0.332 195 M C -1.344 174.977 176.300 0.035 0.000 1.014 195 M CA -0.586 54.779 55.300 0.109 0.000 0.956 195 M CB 1.102 33.740 32.600 0.063 0.000 1.551 195 M HN 0.399 nan 8.290 nan 0.000 0.427 196 I N 4.499 125.090 120.570 0.035 0.000 2.304 196 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 196 I C 0.495 176.594 176.117 -0.031 0.000 1.018 196 I CA 0.457 61.740 61.300 -0.028 0.000 1.260 196 I CB 1.006 38.968 38.000 -0.062 0.000 1.390 196 I HN 0.771 nan 8.210 nan 0.000 0.475 197 M N 4.618 124.176 119.600 -0.069 0.000 2.414 197 M HA 0.435 4.915 4.480 -0.000 0.000 0.357 197 M C 0.620 176.832 176.300 -0.147 0.000 1.059 197 M CA -0.182 55.077 55.300 -0.068 0.000 0.959 197 M CB 0.876 33.453 32.600 -0.039 0.000 1.522 197 M HN 0.753 nan 8.290 nan 0.000 0.551 198 G N 0.594 109.247 108.800 -0.246 0.000 2.726 198 G HA2 0.530 4.490 3.960 -0.000 0.000 0.198 198 G HA3 0.530 4.490 3.960 -0.000 0.000 0.198 198 G C -3.343 171.182 174.900 -0.624 0.000 1.195 198 G CA -0.530 44.317 45.100 -0.422 0.000 0.951 198 G HN -0.114 nan 8.290 nan 0.000 0.532 199 P HA 0.510 nan 4.420 nan 0.000 0.290 199 P C -1.166 175.770 177.300 -0.606 0.000 1.275 199 P CA -0.398 62.032 63.100 -1.118 0.000 0.841 199 P CB 1.907 33.108 31.700 -0.831 0.000 1.042 200 C N 3.409 122.352 119.300 -0.595 0.000 2.789 200 C HA 0.806 5.266 4.460 -0.000 0.000 0.324 200 C C -0.622 174.179 174.990 -0.315 0.000 1.042 200 C CA -0.034 58.798 59.018 -0.309 0.000 1.396 200 C CB -1.158 26.439 27.740 -0.238 0.000 1.870 200 C HN 0.652 nan 8.230 nan 0.000 0.470 201 A N 4.417 127.134 122.820 -0.171 0.000 2.365 201 A HA 0.962 5.282 4.320 -0.000 0.000 0.318 201 A C 0.557 178.124 177.584 -0.027 0.000 1.091 201 A CA 0.685 52.673 52.037 -0.081 0.000 0.763 201 A CB 0.922 19.984 19.000 0.104 0.000 1.248 201 A HN 2.585 nan 8.150 nan 0.000 0.442 202 G N 1.129 109.919 108.800 -0.017 0.000 2.512 202 G HA2 0.143 4.103 3.960 -0.000 0.000 0.240 202 G HA3 0.143 4.103 3.960 -0.000 0.000 0.240 202 G C 1.234 176.006 174.900 -0.215 0.000 1.246 202 G CA 0.573 45.630 45.100 -0.072 0.000 0.919 202 G HN 2.015 nan 8.290 nan 0.000 0.577 203 G N 0.101 108.776 108.800 -0.209 0.000 2.503 203 G HA2 0.133 4.093 3.960 -0.000 0.000 0.221 203 G HA3 0.133 4.093 3.960 -0.000 0.000 0.221 203 G C 2.254 177.080 174.900 -0.122 0.000 1.131 203 G CA 3.440 48.453 45.100 -0.146 0.000 0.756 203 G HN 2.107 nan 8.290 nan 0.000 0.572 204 A N 0.706 123.355 122.820 -0.286 0.000 1.903 204 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 204 A C 2.812 180.411 177.584 0.024 0.000 1.191 204 A CA 3.313 55.352 52.037 0.004 0.000 0.638 204 A CB -1.159 17.886 19.000 0.074 0.000 0.823 204 A HN 1.156 nan 8.150 nan 0.000 0.451 205 V N -3.234 116.572 119.914 -0.180 0.000 2.370 205 V HA -0.344 3.776 4.120 -0.000 0.000 0.252 205 V C 2.234 178.229 176.094 -0.166 0.000 1.068 205 V CA 2.396 64.554 62.300 -0.237 0.000 1.061 205 V CB -1.562 30.027 31.823 -0.389 0.000 0.656 205 V HN 0.547 nan 8.190 nan 0.000 0.455 206 Y N 1.259 121.546 120.300 -0.021 0.000 2.384 206 Y HA -0.087 4.463 4.550 -0.000 0.000 0.289 206 Y C 3.104 178.973 175.900 -0.052 0.000 1.152 206 Y CA 1.180 59.192 58.100 -0.146 0.000 1.258 206 Y CB -1.169 37.023 38.460 -0.446 0.000 0.979 206 Y HN 0.442 nan 8.280 nan 0.000 0.549 207 S N 0.005 115.933 115.700 0.381 0.000 2.325 207 S HA -0.073 4.397 4.470 -0.000 0.000 0.213 207 S C -0.415 174.311 174.600 0.211 0.000 1.031 207 S CA 1.117 59.562 58.200 0.409 0.000 0.984 207 S CB -1.157 62.328 63.200 0.475 0.000 0.939 207 S HN 0.159 nan 8.310 nan 0.000 0.438 208 P HA -0.089 nan 4.420 nan 0.000 0.217 208 P C 1.421 178.734 177.300 0.022 0.000 1.151 208 P CA 1.701 64.851 63.100 0.083 0.000 0.849 208 P CB -0.301 31.418 31.700 0.033 0.000 0.787 209 A N -0.979 121.850 122.820 0.015 0.000 1.958 209 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 209 A C 2.058 179.629 177.584 -0.021 0.000 1.178 209 A CA 2.176 54.203 52.037 -0.016 0.000 0.642 209 A CB -1.428 17.605 19.000 0.055 0.000 0.816 209 A HN 0.193 nan 8.150 nan 0.000 0.453 210 M N 0.155 119.766 119.600 0.017 0.000 2.495 210 M HA 0.030 4.510 4.480 -0.000 0.000 0.237 210 M C 0.819 177.137 176.300 0.029 0.000 1.131 210 M CA 0.588 55.894 55.300 0.010 0.000 1.032 210 M CB -0.142 32.472 32.600 0.023 0.000 1.513 210 M HN 0.539 nan 8.290 nan 0.000 0.488 211 T N -2.567 112.009 114.554 0.037 0.000 2.849 211 T HA 0.116 4.466 4.350 -0.000 0.000 0.284 211 T C 0.687 175.358 174.700 -0.049 0.000 1.004 211 T CA -0.715 61.416 62.100 0.052 0.000 1.021 211 T CB 1.014 69.941 68.868 0.098 0.000 1.013 211 T HN 0.093 nan 8.240 nan 0.000 0.527 212 D N -0.185 120.177 120.400 -0.063 0.000 2.310 212 D HA 0.097 4.737 4.640 -0.000 0.000 0.212 212 D C -0.189 175.552 176.300 -0.932 0.000 0.965 212 D CA 1.125 54.873 54.000 -0.418 0.000 0.879 212 D CB -0.120 40.475 40.800 -0.340 0.000 0.921 212 D HN 0.492 nan 8.370 nan 0.000 0.510 213 F N -0.676 119.148 119.950 -0.209 0.000 2.654 213 F HA 0.444 4.971 4.527 0.000 0.000 0.308 213 F C -0.527 175.035 175.800 -0.396 0.000 1.108 213 F CA -0.890 56.887 58.000 -0.372 0.000 0.957 213 F CB 1.953 40.754 39.000 -0.332 0.000 1.309 213 F HN -0.383 nan 8.300 nan 0.000 0.446 214 I N 3.001 123.309 120.570 -0.438 0.000 2.503 214 I HA 0.351 4.521 4.170 -0.000 0.000 0.282 214 I C -1.464 174.316 176.117 -0.563 0.000 1.059 214 I CA -0.307 60.780 61.300 -0.354 0.000 1.081 214 I CB 1.268 39.116 38.000 -0.253 0.000 1.210 214 I HN 0.364 nan 8.210 nan 0.000 0.450 215 F N 5.994 125.929 119.950 -0.026 0.000 2.450 215 F HA 0.649 5.176 4.527 0.000 0.000 0.332 215 F C 0.259 176.001 175.800 -0.095 0.000 1.093 215 F CA -0.584 57.339 58.000 -0.128 0.000 1.003 215 F CB 1.751 40.722 39.000 -0.048 0.000 1.151 215 F HN 0.164 nan 8.300 nan 0.000 0.474 216 M N 1.694 121.301 119.600 0.012 0.000 2.716 216 M HA 0.566 5.046 4.480 -0.000 0.000 0.307 216 M C -1.293 175.040 176.300 0.054 0.000 1.223 216 M CA -1.183 54.132 55.300 0.025 0.000 0.871 216 M CB 2.579 35.179 32.600 -0.000 0.000 1.739 216 M HN 0.156 nan 8.290 nan 0.000 0.475 217 V N 2.105 122.062 119.914 0.072 0.000 2.333 217 V HA 0.147 4.267 4.120 -0.000 0.000 0.274 217 V C 0.849 176.983 176.094 0.067 0.000 1.028 217 V CA -0.403 61.957 62.300 0.100 0.000 0.851 217 V CB 0.955 32.828 31.823 0.083 0.000 1.000 217 V HN 0.824 nan 8.190 nan 0.000 0.456 218 K N 3.247 123.689 120.400 0.071 0.000 2.163 218 K HA -0.288 4.032 4.320 -0.000 0.000 0.222 218 K C 1.309 177.938 176.600 0.049 0.000 0.990 218 K CA 2.915 59.233 56.287 0.052 0.000 0.959 218 K CB -0.081 32.452 32.500 0.055 0.000 0.882 218 K HN 0.797 nan 8.250 nan 0.000 0.472 219 D N -2.705 117.725 120.400 0.051 0.000 2.479 219 D HA 0.094 4.734 4.640 -0.000 0.000 0.221 219 D C 0.936 177.276 176.300 0.066 0.000 1.104 219 D CA 0.815 54.847 54.000 0.054 0.000 0.849 219 D CB 0.488 41.316 40.800 0.045 0.000 1.072 219 D HN 0.320 nan 8.370 nan 0.000 0.502 220 S N 0.127 115.858 115.700 0.051 0.000 2.575 220 S HA 0.088 4.558 4.470 -0.000 0.000 0.215 220 S C 0.804 175.401 174.600 -0.005 0.000 0.966 220 S CA -0.395 57.825 58.200 0.034 0.000 0.911 220 S CB 0.016 63.224 63.200 0.013 0.000 0.780 220 S HN 0.067 nan 8.310 nan 0.000 0.514 221 S N 0.534 116.243 115.700 0.015 0.000 2.568 221 S HA 0.846 5.316 4.470 -0.000 0.000 0.293 221 S C -0.899 173.734 174.600 0.056 0.000 1.089 221 S CA -0.863 57.296 58.200 -0.069 0.000 0.945 221 S CB 1.440 64.603 63.200 -0.061 0.000 1.077 221 S HN 0.805 nan 8.310 nan 0.000 0.485 222 Y N -1.231 119.014 120.300 -0.091 0.000 2.702 222 Y HA 0.740 5.290 4.550 -0.000 0.000 0.336 222 Y C -1.499 174.245 175.900 -0.260 0.000 1.203 222 Y CA -1.500 56.539 58.100 -0.102 0.000 1.072 222 Y CB 0.997 39.418 38.460 -0.065 0.000 1.327 222 Y HN 1.038 nan 8.280 nan 0.000 0.456 223 M N 2.368 121.984 119.600 0.027 0.000 2.373 223 M HA 0.830 5.310 4.480 -0.000 0.000 0.290 223 M C -2.437 173.796 176.300 -0.111 0.000 1.143 223 M CA -0.538 54.605 55.300 -0.262 0.000 0.949 223 M CB 2.924 35.411 32.600 -0.188 0.000 1.756 223 M HN 1.023 nan 8.290 nan 0.000 0.494 224 F N -0.599 119.443 119.950 0.155 0.000 2.688 224 F HA 0.635 5.162 4.527 -0.000 0.000 0.308 224 F C -0.319 175.468 175.800 -0.022 0.000 1.117 224 F CA -1.178 56.871 58.000 0.082 0.000 0.976 224 F CB 0.324 39.372 39.000 0.080 0.000 1.291 224 F HN 0.300 nan 8.300 nan 0.000 0.439 225 V N 0.238 120.255 119.914 0.173 0.000 2.295 225 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 225 V C 0.755 176.928 176.094 0.132 0.000 1.049 225 V CA 2.324 64.637 62.300 0.022 0.000 1.024 225 V CB -0.554 31.256 31.823 -0.022 0.000 0.648 225 V HN 0.903 nan 8.190 nan 0.000 0.447 226 T N -0.186 114.461 114.554 0.155 0.000 2.829 226 T HA 0.604 4.954 4.350 -0.000 0.000 0.280 226 T C 0.199 174.848 174.700 -0.084 0.000 0.999 226 T CA -0.083 62.057 62.100 0.066 0.000 0.983 226 T CB 1.525 70.395 68.868 0.003 0.000 0.968 226 T HN 0.409 nan 8.240 nan 0.000 0.446 227 G N 2.360 111.105 108.800 -0.092 0.000 2.544 227 G HA2 0.333 4.293 3.960 -0.000 0.000 0.242 227 G HA3 0.333 4.293 3.960 -0.000 0.000 0.242 227 G C -1.589 173.064 174.900 -0.411 0.000 1.247 227 G CA -1.296 43.609 45.100 -0.325 0.000 0.840 227 G HN 0.415 nan 8.290 nan 0.000 0.578 228 P HA -0.134 nan 4.420 nan 0.000 0.217 228 P C 1.420 178.600 177.300 -0.199 0.000 1.148 228 P CA 1.561 64.442 63.100 -0.364 0.000 0.828 228 P CB 0.206 31.697 31.700 -0.347 0.000 0.783 229 D N -1.030 119.279 120.400 -0.151 0.000 2.162 229 D HA -0.073 4.567 4.640 -0.000 0.000 0.203 229 D C 1.786 178.040 176.300 -0.076 0.000 0.967 229 D CA 0.930 54.876 54.000 -0.089 0.000 0.840 229 D CB -1.020 39.746 40.800 -0.055 0.000 0.972 229 D HN 0.062 nan 8.370 nan 0.000 0.482 230 V N 1.050 120.915 119.914 -0.082 0.000 2.548 230 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 230 V C 2.839 178.891 176.094 -0.069 0.000 1.055 230 V CA 0.714 62.978 62.300 -0.059 0.000 1.065 230 V CB -0.080 31.717 31.823 -0.043 0.000 0.681 230 V HN 0.073 nan 8.190 nan 0.000 0.462 231 V N 0.220 120.071 119.914 -0.105 0.000 2.594 231 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 231 V C 2.338 178.387 176.094 -0.076 0.000 1.069 231 V CA 2.283 64.524 62.300 -0.098 0.000 1.082 231 V CB -0.652 31.086 31.823 -0.141 0.000 0.680 231 V HN 0.574 nan 8.190 nan 0.000 0.469 232 K N 0.725 121.080 120.400 -0.076 0.000 1.980 232 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 232 K C 2.297 178.872 176.600 -0.042 0.000 1.043 232 K CA 1.808 58.061 56.287 -0.057 0.000 0.938 232 K CB -0.504 31.962 32.500 -0.056 0.000 0.724 232 K HN 0.556 nan 8.250 nan 0.000 0.438 233 T N -1.540 112.991 114.554 -0.038 0.000 3.026 233 T HA -0.069 4.281 4.350 -0.000 0.000 0.271 233 T C 1.475 176.160 174.700 -0.024 0.000 1.149 233 T CA 1.278 63.361 62.100 -0.028 0.000 1.088 233 T CB 0.001 68.854 68.868 -0.024 0.000 0.857 233 T HN 0.076 nan 8.240 nan 0.000 0.551 234 V N -0.442 119.455 119.914 -0.029 0.000 3.484 234 V HA 0.187 4.307 4.120 -0.000 0.000 0.252 234 V C 2.302 178.382 176.094 -0.023 0.000 1.282 234 V CA 0.878 63.164 62.300 -0.023 0.000 1.104 234 V CB 0.591 32.400 31.823 -0.022 0.000 0.868 234 V HN 0.461 nan 8.190 nan 0.000 0.457 235 T N -0.825 113.711 114.554 -0.030 0.000 2.975 235 T HA 0.166 4.516 4.350 -0.000 0.000 0.257 235 T C 0.997 175.680 174.700 -0.028 0.000 1.003 235 T CA 0.235 62.318 62.100 -0.028 0.000 0.932 235 T CB 0.041 68.889 68.868 -0.034 0.000 1.087 235 T HN 0.300 nan 8.240 nan 0.000 0.512 236 N N 1.604 120.285 118.700 -0.031 0.000 2.828 236 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 236 N C -0.064 175.426 175.510 -0.033 0.000 1.044 236 N CA 0.839 53.872 53.050 -0.029 0.000 0.851 236 N CB -0.569 37.904 38.487 -0.022 0.000 1.136 236 N HN 0.658 nan 8.380 nan 0.000 0.572 237 E N 0.705 120.881 120.200 -0.039 0.000 2.249 237 E HA 0.187 4.537 4.350 -0.000 0.000 0.280 237 E C -0.302 176.266 176.600 -0.055 0.000 1.016 237 E CA -0.352 56.022 56.400 -0.044 0.000 0.830 237 E CB 0.781 30.453 29.700 -0.046 0.000 1.081 237 E HN 0.031 nan 8.360 nan 0.000 0.395 238 Q N 4.108 123.877 119.800 -0.052 0.000 2.333 238 Q HA 0.441 4.781 4.340 -0.000 0.000 0.265 238 Q C -1.920 174.040 176.000 -0.068 0.000 0.989 238 Q CA -0.699 55.069 55.803 -0.059 0.000 0.842 238 Q CB 1.690 30.401 28.738 -0.045 0.000 1.262 238 Q HN 0.447 nan 8.270 nan 0.000 0.451 239 V N 3.106 122.966 119.914 -0.090 0.000 2.969 239 V HA 0.512 4.632 4.120 -0.000 0.000 0.304 239 V C -0.914 175.107 176.094 -0.122 0.000 1.192 239 V CA -0.332 61.909 62.300 -0.098 0.000 0.962 239 V CB 2.559 34.317 31.823 -0.108 0.000 1.045 239 V HN 0.927 nan 8.190 nan 0.000 0.428 240 S N 4.816 120.452 115.700 -0.106 0.000 2.584 240 S HA 0.636 5.106 4.470 -0.000 0.000 0.273 240 S C 1.372 175.881 174.600 -0.152 0.000 1.311 240 S CA 0.197 58.329 58.200 -0.114 0.000 1.034 240 S CB 1.658 64.811 63.200 -0.077 0.000 0.939 240 S HN 1.882 nan 8.310 nan 0.000 0.513 241 A N 1.725 124.429 122.820 -0.194 0.000 1.903 241 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 241 A C 2.081 179.567 177.584 -0.163 0.000 1.191 241 A CA 2.325 54.214 52.037 -0.247 0.000 0.638 241 A CB -1.419 17.296 19.000 -0.475 0.000 0.823 241 A HN 1.025 nan 8.150 nan 0.000 0.451 242 E N 0.200 120.323 120.200 -0.128 0.000 2.118 242 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 242 E C 1.817 178.392 176.600 -0.042 0.000 0.992 242 E CA 1.973 58.346 56.400 -0.046 0.000 0.804 242 E CB -0.329 29.360 29.700 -0.017 0.000 0.741 242 E HN 0.745 nan 8.360 nan 0.000 0.458 243 E N -0.505 119.658 120.200 -0.062 0.000 2.046 243 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 243 E C 1.973 178.527 176.600 -0.076 0.000 0.982 243 E CA 0.870 57.232 56.400 -0.064 0.000 0.800 243 E CB -0.188 29.472 29.700 -0.067 0.000 0.756 243 E HN 0.193 nan 8.360 nan 0.000 0.449 244 L N 0.002 121.173 121.223 -0.086 0.000 1.943 244 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 244 L C 1.477 178.339 176.870 -0.013 0.000 1.074 244 L CA 2.276 57.070 54.840 -0.077 0.000 0.759 244 L CB -0.479 41.456 42.059 -0.207 0.000 0.888 244 L HN 0.129 nan 8.230 nan 0.000 0.433 245 G N -1.032 107.857 108.800 0.148 0.000 4.951 245 G HA2 0.500 4.460 3.960 -0.000 0.000 0.282 245 G HA3 0.500 4.460 3.960 -0.000 0.000 0.282 245 G C 0.091 175.019 174.900 0.046 0.000 1.301 245 G CA 0.118 45.221 45.100 0.006 0.000 0.975 245 G HN 0.629 nan 8.290 nan 0.000 0.589 246 G N -0.629 108.162 108.800 -0.015 0.000 2.528 246 G HA2 0.521 4.481 3.960 -0.000 0.000 0.289 246 G HA3 0.521 4.481 3.960 -0.000 0.000 0.289 246 G C 1.304 176.230 174.900 0.042 0.000 1.192 246 G CA 0.285 45.428 45.100 0.071 0.000 0.921 246 G HN 0.574 nan 8.290 nan 0.000 0.512 247 A N 0.076 122.942 122.820 0.076 0.000 1.940 247 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 247 A C 2.460 180.065 177.584 0.035 0.000 1.190 247 A CA 2.875 54.948 52.037 0.059 0.000 0.647 247 A CB -1.111 17.913 19.000 0.039 0.000 0.821 247 A HN 0.611 nan 8.150 nan 0.000 0.457 248 T N -0.376 114.187 114.554 0.015 0.000 2.737 248 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 248 T C 2.027 176.726 174.700 -0.001 0.000 1.038 248 T CA 1.848 63.953 62.100 0.008 0.000 1.144 248 T CB -0.679 68.191 68.868 0.003 0.000 0.866 248 T HN 0.622 nan 8.240 nan 0.000 0.434 249 T N 1.346 115.869 114.554 -0.052 0.000 2.699 249 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 249 T C 1.754 176.404 174.700 -0.083 0.000 1.036 249 T CA 1.323 63.358 62.100 -0.108 0.000 1.147 249 T CB -0.366 68.358 68.868 -0.239 0.000 0.862 249 T HN 0.447 nan 8.240 nan 0.000 0.446 250 H N 0.914 119.987 119.070 0.005 0.000 2.448 250 H HA 0.089 4.645 4.556 -0.000 0.000 0.292 250 H C 2.611 177.900 175.328 -0.065 0.000 1.035 250 H CA 1.608 57.636 56.048 -0.035 0.000 1.349 250 H CB -0.508 29.224 29.762 -0.050 0.000 1.425 250 H HN 0.517 nan 8.280 nan 0.000 0.539 251 T N -2.156 112.446 114.554 0.079 0.000 3.148 251 T HA 0.117 4.467 4.350 -0.000 0.000 0.253 251 T C 1.760 176.519 174.700 0.098 0.000 1.134 251 T CA 0.394 62.509 62.100 0.025 0.000 1.051 251 T CB 0.462 69.326 68.868 -0.006 0.000 0.959 251 T HN 0.151 nan 8.240 nan 0.000 0.525 252 R N -0.959 119.626 120.500 0.141 0.000 2.676 252 R HA 0.382 4.722 4.340 -0.000 0.000 0.241 252 R C 1.901 178.350 176.300 0.249 0.000 0.964 252 R CA -0.014 56.203 56.100 0.195 0.000 1.054 252 R CB 0.551 30.903 30.300 0.087 0.000 1.603 252 R HN 0.169 nan 8.270 nan 0.000 0.577 253 K N -0.838 119.687 120.400 0.208 0.000 2.424 253 K HA 0.098 4.418 4.320 -0.000 0.000 0.200 253 K C 1.265 177.994 176.600 0.215 0.000 1.279 253 K CA 0.979 57.373 56.287 0.178 0.000 0.918 253 K CB 0.583 33.126 32.500 0.070 0.000 1.287 253 K HN 0.098 nan 8.250 nan 0.000 0.502 254 S N 0.145 115.941 115.700 0.160 0.000 2.501 254 S HA -0.037 4.433 4.470 -0.000 0.000 0.220 254 S C 0.857 175.436 174.600 -0.034 0.000 0.997 254 S CA 0.797 59.073 58.200 0.127 0.000 0.919 254 S CB 0.189 63.548 63.200 0.266 0.000 0.778 254 S HN 0.419 nan 8.310 nan 0.000 0.523 255 S N -0.907 114.609 115.700 -0.306 0.000 3.450 255 S HA -0.174 4.296 4.470 -0.000 0.000 0.288 255 S C 0.723 174.992 174.600 -0.551 0.000 1.256 255 S CA 0.601 58.202 58.200 -0.998 0.000 0.910 255 S CB -2.561 60.121 63.200 -0.863 0.000 1.090 255 S HN 0.617 nan 8.310 nan 0.000 0.630 256 V N 0.445 120.162 119.914 -0.328 0.000 2.492 256 V HA 0.540 4.660 4.120 -0.000 0.000 0.241 256 V C 1.796 177.696 176.094 -0.323 0.000 1.041 256 V CA 1.172 63.277 62.300 -0.325 0.000 1.057 256 V CB -0.588 30.964 31.823 -0.452 0.000 0.711 256 V HN 1.091 nan 8.190 nan 0.000 0.468 257 A N -0.094 122.568 122.820 -0.265 0.000 2.295 257 A HA 0.392 4.712 4.320 -0.000 0.000 0.318 257 A C 0.517 177.942 177.584 -0.265 0.000 1.134 257 A CA -0.329 51.558 52.037 -0.251 0.000 0.827 257 A CB 0.469 19.376 19.000 -0.155 0.000 1.136 257 A HN 0.331 nan 8.150 nan 0.000 0.493 258 D N 0.036 120.229 120.400 -0.345 0.000 2.354 258 D HA 0.377 5.017 4.640 -0.000 0.000 0.209 258 D C 0.355 176.543 176.300 -0.186 0.000 1.015 258 D CA 1.538 55.360 54.000 -0.295 0.000 0.867 258 D CB 0.572 41.120 40.800 -0.419 0.000 0.933 258 D HN 0.778 nan 8.370 nan 0.000 0.520 259 A N 0.066 122.762 122.820 -0.206 0.000 2.586 259 A HA 0.577 4.897 4.320 -0.000 0.000 0.298 259 A C -1.755 175.624 177.584 -0.342 0.000 1.013 259 A CA -0.395 51.508 52.037 -0.223 0.000 0.707 259 A CB 0.849 19.713 19.000 -0.226 0.000 1.276 259 A HN 0.005 nan 8.150 nan 0.000 0.414 260 A N 1.313 123.956 122.820 -0.295 0.000 2.291 260 A HA 0.761 5.081 4.320 -0.000 0.000 0.311 260 A C -0.700 176.780 177.584 -0.172 0.000 1.224 260 A CA -0.347 51.564 52.037 -0.211 0.000 0.821 260 A CB -0.014 18.946 19.000 -0.066 0.000 1.172 260 A HN 0.822 nan 8.150 nan 0.000 0.494 261 F N 0.893 120.864 119.950 0.036 0.000 2.375 261 F HA 0.239 4.766 4.527 0.000 0.000 0.333 261 F C 1.561 177.359 175.800 -0.003 0.000 1.104 261 F CA -0.436 57.562 58.000 -0.003 0.000 1.149 261 F CB 1.226 40.212 39.000 -0.022 0.000 1.190 261 F HN 0.772 nan 8.300 nan 0.000 0.533 262 E N 1.571 121.896 120.200 0.209 0.000 2.130 262 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 262 E C -0.490 176.157 176.600 0.079 0.000 0.998 262 E CA 1.534 57.996 56.400 0.103 0.000 0.806 262 E CB -0.039 29.699 29.700 0.063 0.000 0.738 262 E HN 0.745 nan 8.360 nan 0.000 0.459 263 N N -3.133 115.613 118.700 0.078 0.000 3.227 263 N HA 0.100 4.840 4.740 -0.000 0.000 0.241 263 N C -0.556 174.970 175.510 0.026 0.000 1.480 263 N CA -0.223 52.855 53.050 0.046 0.000 0.886 263 N CB 0.165 38.664 38.487 0.020 0.000 1.406 263 N HN -0.343 nan 8.380 nan 0.000 0.514 264 D N -0.516 119.893 120.400 0.016 0.000 2.203 264 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 264 D C 1.484 177.755 176.300 -0.048 0.000 0.997 264 D CA 1.343 55.340 54.000 -0.005 0.000 0.863 264 D CB -0.000 40.802 40.800 0.003 0.000 0.928 264 D HN 0.366 nan 8.370 nan 0.000 0.458 265 V N 0.368 120.249 119.914 -0.056 0.000 2.346 265 V HA -0.157 3.963 4.120 -0.000 0.000 0.244 265 V C 2.123 178.132 176.094 -0.141 0.000 1.037 265 V CA 1.520 63.768 62.300 -0.087 0.000 1.029 265 V CB -0.344 31.438 31.823 -0.070 0.000 0.663 265 V HN 0.199 nan 8.190 nan 0.000 0.454 266 E N 0.401 120.508 120.200 -0.156 0.000 2.152 266 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 266 E C 2.317 178.610 176.600 -0.512 0.000 0.983 266 E CA 1.083 57.325 56.400 -0.262 0.000 0.818 266 E CB -0.316 29.261 29.700 -0.206 0.000 0.758 266 E HN 0.575 nan 8.360 nan 0.000 0.467 267 A N 1.586 124.156 122.820 -0.417 0.000 1.873 267 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 267 A C 2.213 179.516 177.584 -0.469 0.000 1.193 267 A CA 1.328 53.046 52.037 -0.532 0.000 0.629 267 A CB -0.783 18.242 19.000 0.042 0.000 0.826 267 A HN 0.148 nan 8.150 nan 0.000 0.447 268 L N -1.034 120.032 121.223 -0.262 0.000 2.056 268 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 268 L C 3.135 179.858 176.870 -0.244 0.000 1.078 268 L CA 0.999 55.711 54.840 -0.213 0.000 0.749 268 L CB -0.625 41.344 42.059 -0.149 0.000 0.901 268 L HN 0.463 nan 8.230 nan 0.000 0.433 269 A N -0.234 122.434 122.820 -0.254 0.000 1.883 269 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 269 A C 2.185 179.628 177.584 -0.235 0.000 1.186 269 A CA 1.563 53.474 52.037 -0.210 0.000 0.624 269 A CB -0.373 18.518 19.000 -0.182 0.000 0.822 269 A HN 0.344 nan 8.150 nan 0.000 0.444 270 E N -0.202 119.759 120.200 -0.399 0.000 2.204 270 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 270 E C 2.150 178.597 176.600 -0.254 0.000 0.989 270 E CA 1.112 57.293 56.400 -0.365 0.000 0.824 270 E CB -0.486 28.674 29.700 -0.900 0.000 0.756 270 E HN 0.419 nan 8.360 nan 0.000 0.477 271 V N 1.333 121.042 119.914 -0.341 0.000 2.379 271 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 271 V C 2.338 178.310 176.094 -0.203 0.000 1.044 271 V CA 1.534 63.665 62.300 -0.282 0.000 1.036 271 V CB -0.378 31.321 31.823 -0.207 0.000 0.664 271 V HN 0.197 nan 8.190 nan 0.000 0.453 272 R N -0.232 120.171 120.500 -0.163 0.000 2.091 272 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 272 R C 2.540 178.776 176.300 -0.107 0.000 1.136 272 R CA 1.415 57.443 56.100 -0.120 0.000 0.959 272 R CB -0.498 29.741 30.300 -0.102 0.000 0.856 272 R HN 0.341 nan 8.270 nan 0.000 0.437 273 R N 1.199 121.650 120.500 -0.082 0.000 2.096 273 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 273 R C 2.291 178.532 176.300 -0.098 0.000 1.139 273 R CA 1.611 57.707 56.100 -0.007 0.000 0.952 273 R CB -0.530 29.858 30.300 0.147 0.000 0.854 273 R HN 0.162 nan 8.270 nan 0.000 0.436 274 L N 0.736 121.725 121.223 -0.390 0.000 1.955 274 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 274 L C 2.389 179.074 176.870 -0.308 0.000 1.072 274 L CA 1.731 56.146 54.840 -0.709 0.000 0.755 274 L CB -0.866 40.757 42.059 -0.728 0.000 0.888 274 L HN -0.031 nan 8.230 nan 0.000 0.432 275 V N 0.330 120.116 119.914 -0.213 0.000 2.313 275 V HA -0.405 3.715 4.120 -0.000 0.000 0.253 275 V C 2.291 178.335 176.094 -0.083 0.000 1.070 275 V CA 2.135 64.360 62.300 -0.124 0.000 1.057 275 V CB -1.028 30.744 31.823 -0.085 0.000 0.653 275 V HN 0.545 nan 8.190 nan 0.000 0.450 276 D N -0.861 119.500 120.400 -0.066 0.000 2.228 276 D HA -0.163 4.477 4.640 -0.000 0.000 0.203 276 D C 1.909 178.144 176.300 -0.108 0.000 0.988 276 D CA 1.386 55.334 54.000 -0.087 0.000 0.864 276 D CB -0.199 40.530 40.800 -0.118 0.000 0.928 276 D HN 0.545 nan 8.370 nan 0.000 0.469 277 F N 0.272 120.063 119.950 -0.264 0.000 2.262 277 F HA 0.103 4.630 4.527 0.000 0.000 0.292 277 F C 1.315 176.924 175.800 -0.319 0.000 1.081 277 F CA -0.045 57.770 58.000 -0.308 0.000 1.355 277 F CB -0.015 38.692 39.000 -0.488 0.000 1.069 277 F HN -0.211 nan 8.300 nan 0.000 0.506 278 L N 2.131 123.289 121.223 -0.110 0.000 2.467 278 L HA 0.124 4.464 4.340 -0.000 0.000 0.270 278 L C -2.064 174.740 176.870 -0.110 0.000 1.205 278 L CA -1.897 52.850 54.840 -0.155 0.000 0.828 278 L CB -0.199 41.776 42.059 -0.140 0.000 1.101 278 L HN -0.189 nan 8.230 nan 0.000 0.479 279 P HA 0.171 nan 4.420 nan 0.000 0.282 279 P C 0.312 177.589 177.300 -0.038 0.000 1.259 279 P CA -0.560 62.511 63.100 -0.049 0.000 0.826 279 P CB 1.247 32.945 31.700 -0.002 0.000 1.064 280 L N 0.591 121.822 121.223 0.014 0.000 2.376 280 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 280 L C 0.837 177.766 176.870 0.098 0.000 1.133 280 L CA 1.187 56.054 54.840 0.044 0.000 0.816 280 L CB -0.781 41.310 42.059 0.053 0.000 0.933 280 L HN 0.626 nan 8.230 nan 0.000 0.449 281 N N -3.886 114.902 118.700 0.147 0.000 3.465 281 N HA -0.033 4.707 4.740 -0.000 0.000 0.244 281 N C -0.132 175.547 175.510 0.282 0.000 1.454 281 N CA -0.368 52.836 53.050 0.257 0.000 0.865 281 N CB -0.182 38.401 38.487 0.161 0.000 1.439 281 N HN -0.161 nan 8.380 nan 0.000 0.480 282 N N -0.878 117.931 118.700 0.182 0.000 2.571 282 N HA 0.004 4.744 4.740 -0.000 0.000 0.189 282 N C 0.561 176.074 175.510 0.004 0.000 1.154 282 N CA 0.569 53.620 53.050 0.000 0.000 0.907 282 N CB -0.002 38.348 38.487 -0.229 0.000 0.977 282 N HN 0.377 nan 8.380 nan 0.000 0.449 283 R N 0.699 121.222 120.500 0.038 0.000 2.074 283 R HA 0.095 4.435 4.340 -0.000 0.000 0.218 283 R C 0.563 176.881 176.300 0.030 0.000 1.137 283 R CA 0.635 56.750 56.100 0.024 0.000 0.998 283 R CB -0.556 29.760 30.300 0.027 0.000 0.895 283 R HN 0.689 nan 8.270 nan 0.000 0.442 284 E N 1.581 121.806 120.200 0.042 0.000 2.371 284 E HA 0.215 4.565 4.350 -0.000 0.000 0.257 284 E C -0.490 176.131 176.600 0.035 0.000 1.134 284 E CA -0.310 56.110 56.400 0.033 0.000 0.919 284 E CB 0.964 30.683 29.700 0.032 0.000 1.025 284 E HN -0.141 nan 8.360 nan 0.000 0.438 285 K N 0.706 121.119 120.400 0.021 0.000 2.132 285 K HA 0.322 4.642 4.320 -0.000 0.000 0.241 285 K C -2.286 174.316 176.600 0.004 0.000 1.000 285 K CA -2.268 54.029 56.287 0.017 0.000 0.911 285 K CB 0.704 33.211 32.500 0.012 0.000 1.093 285 K HN 0.438 nan 8.250 nan 0.000 0.460 286 P HA -0.091 nan 4.420 nan 0.000 0.263 286 P C -2.388 174.889 177.300 -0.040 0.000 1.162 286 P CA -0.453 62.629 63.100 -0.030 0.000 0.758 286 P CB -0.530 31.148 31.700 -0.035 0.000 0.773 287 P HA 0.035 nan 4.420 nan 0.000 0.270 287 P C -0.669 176.585 177.300 -0.077 0.000 1.223 287 P CA 0.173 63.238 63.100 -0.058 0.000 0.785 287 P CB 0.577 32.237 31.700 -0.067 0.000 0.923 288 V N 1.763 121.637 119.914 -0.066 0.000 2.815 288 V HA 0.786 4.906 4.120 -0.000 0.000 0.314 288 V C 0.412 176.464 176.094 -0.071 0.000 1.064 288 V CA -0.740 61.515 62.300 -0.075 0.000 0.952 288 V CB 1.661 33.455 31.823 -0.049 0.000 1.020 288 V HN 0.869 nan 8.190 nan 0.000 0.439 289 R N 1.674 122.129 120.500 -0.074 0.000 2.712 289 R HA 0.609 4.949 4.340 -0.000 0.000 0.272 289 R C -3.353 172.923 176.300 -0.040 0.000 1.032 289 R CA -1.560 54.500 56.100 -0.067 0.000 0.874 289 R CB 1.153 31.391 30.300 -0.103 0.000 1.256 289 R HN 0.466 nan 8.270 nan 0.000 0.468 290 P HA 0.114 nan 4.420 nan 0.000 0.269 290 P C -1.278 175.851 177.300 -0.286 0.000 1.217 290 P CA 0.008 63.005 63.100 -0.172 0.000 0.783 290 P CB 0.133 31.687 31.700 -0.243 0.000 0.898 291 F N -0.989 118.593 119.950 -0.613 0.000 2.607 291 F HA 0.525 5.052 4.527 0.000 0.000 0.322 291 F C -1.285 174.212 175.800 -0.504 0.000 1.176 291 F CA -1.136 56.514 58.000 -0.583 0.000 0.977 291 F CB 0.652 39.498 39.000 -0.257 0.000 1.242 291 F HN 0.042 nan 8.300 nan 0.000 0.465 292 F N 3.162 123.087 119.950 -0.043 0.000 2.560 292 F HA 0.412 4.939 4.527 0.000 0.000 0.338 292 F C 0.046 175.833 175.800 -0.022 0.000 1.201 292 F CA -0.293 57.644 58.000 -0.105 0.000 1.291 292 F CB -0.090 38.880 39.000 -0.050 0.000 1.627 292 F HN 0.559 nan 8.300 nan 0.000 0.588 293 D N 0.458 120.897 120.400 0.065 0.000 2.622 293 D HA 0.116 4.756 4.640 -0.000 0.000 0.255 293 D C -1.889 174.506 176.300 0.160 0.000 1.246 293 D CA -0.490 53.610 54.000 0.166 0.000 0.795 293 D CB 2.767 43.725 40.800 0.263 0.000 1.369 293 D HN 0.195 nan 8.370 nan 0.000 0.425 294 D N 0.844 121.340 120.400 0.159 0.000 2.308 294 D HA 0.367 5.007 4.640 -0.000 0.000 0.242 294 D C -1.636 174.773 176.300 0.180 0.000 1.059 294 D CA -2.041 52.053 54.000 0.157 0.000 0.830 294 D CB 2.290 43.142 40.800 0.087 0.000 1.161 294 D HN -0.049 nan 8.370 nan 0.000 0.494 295 P HA -0.059 nan 4.420 nan 0.000 0.228 295 P C -0.134 177.224 177.300 0.097 0.000 1.151 295 P CA 0.783 63.969 63.100 0.144 0.000 0.770 295 P CB 0.432 32.217 31.700 0.142 0.000 0.786 296 D N -0.848 119.606 120.400 0.090 0.000 2.368 296 D HA 0.037 4.677 4.640 -0.000 0.000 0.218 296 D C 0.899 177.234 176.300 0.058 0.000 1.112 296 D CA -0.206 53.832 54.000 0.063 0.000 0.834 296 D CB 0.109 40.941 40.800 0.055 0.000 0.953 296 D HN 0.198 nan 8.370 nan 0.000 0.505 297 R N 1.271 121.813 120.500 0.071 0.000 2.538 297 R HA 0.099 4.439 4.340 -0.000 0.000 0.282 297 R C -0.541 175.790 176.300 0.052 0.000 1.009 297 R CA 0.147 56.285 56.100 0.064 0.000 1.063 297 R CB 0.248 30.596 30.300 0.080 0.000 0.945 297 R HN -0.222 nan 8.270 nan 0.000 0.414 298 I N 3.544 124.138 120.570 0.040 0.000 2.412 298 I HA 0.195 4.365 4.170 -0.000 0.000 0.296 298 I C -0.340 175.794 176.117 0.029 0.000 0.987 298 I CA -0.099 61.218 61.300 0.028 0.000 1.180 298 I CB 1.952 39.960 38.000 0.013 0.000 1.340 298 I HN 0.544 nan 8.210 nan 0.000 0.455 299 E N 7.504 127.721 120.200 0.028 0.000 2.256 299 E HA 0.279 4.629 4.350 -0.000 0.000 0.243 299 E C -2.076 174.522 176.600 -0.004 0.000 0.925 299 E CA -1.682 54.734 56.400 0.027 0.000 0.748 299 E CB 1.245 30.979 29.700 0.056 0.000 1.206 299 E HN 0.289 nan 8.360 nan 0.000 0.428 300 P HA -0.141 nan 4.420 nan 0.000 0.218 300 P C 1.250 178.517 177.300 -0.055 0.000 1.149 300 P CA 1.002 64.076 63.100 -0.044 0.000 0.817 300 P CB 0.338 32.020 31.700 -0.030 0.000 0.785 301 S N 0.310 115.994 115.700 -0.027 0.000 2.392 301 S HA -0.201 4.269 4.470 -0.000 0.000 0.232 301 S C 1.868 176.441 174.600 -0.045 0.000 1.041 301 S CA 1.287 59.474 58.200 -0.021 0.000 1.026 301 S CB -1.683 61.523 63.200 0.010 0.000 0.845 301 S HN 0.150 nan 8.310 nan 0.000 0.465 302 L N 1.562 122.756 121.223 -0.048 0.000 2.079 302 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 302 L C 1.958 178.653 176.870 -0.291 0.000 1.081 302 L CA 1.299 56.082 54.840 -0.094 0.000 0.752 302 L CB -0.873 41.161 42.059 -0.042 0.000 0.896 302 L HN 0.185 nan 8.230 nan 0.000 0.433 303 D N -0.561 119.676 120.400 -0.271 0.000 2.393 303 D HA -0.136 4.504 4.640 -0.000 0.000 0.220 303 D C 1.675 177.827 176.300 -0.246 0.000 0.974 303 D CA 1.559 55.372 54.000 -0.312 0.000 0.931 303 D CB -0.017 40.658 40.800 -0.207 0.000 0.889 303 D HN 0.456 nan 8.370 nan 0.000 0.512 304 T N -3.452 110.994 114.554 -0.180 0.000 3.209 304 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 304 T C 1.322 175.957 174.700 -0.109 0.000 0.977 304 T CA -0.423 61.602 62.100 -0.125 0.000 0.922 304 T CB -0.181 68.642 68.868 -0.075 0.000 1.152 304 T HN -0.052 nan 8.240 nan 0.000 0.527 305 L N 2.149 123.290 121.223 -0.137 0.000 2.056 305 L HA 0.327 4.667 4.340 -0.000 0.000 0.207 305 L C 0.640 177.353 176.870 -0.261 0.000 1.078 305 L CA 1.302 56.075 54.840 -0.111 0.000 0.749 305 L CB -0.350 41.700 42.059 -0.016 0.000 0.901 305 L HN 0.227 nan 8.230 nan 0.000 0.433 306 V N 3.504 123.257 119.914 -0.268 0.000 2.439 306 V HA 0.206 4.326 4.120 -0.000 0.000 0.271 306 V C -1.830 174.196 176.094 -0.114 0.000 1.040 306 V CA -1.385 60.730 62.300 -0.309 0.000 1.002 306 V CB 0.045 31.802 31.823 -0.110 0.000 1.000 306 V HN 0.282 nan 8.190 nan 0.000 0.477 307 P HA 0.116 nan 4.420 nan 0.000 0.272 307 P C 0.370 177.690 177.300 0.034 0.000 1.230 307 P CA -0.189 62.928 63.100 0.030 0.000 0.788 307 P CB 1.270 33.024 31.700 0.090 0.000 0.949 308 D N 0.170 120.586 120.400 0.028 0.000 2.097 308 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 308 D C 0.746 177.073 176.300 0.044 0.000 0.984 308 D CA 1.369 55.386 54.000 0.029 0.000 0.826 308 D CB -0.153 40.659 40.800 0.020 0.000 0.973 308 D HN 0.454 nan 8.370 nan 0.000 0.460 309 N N 1.504 120.232 118.700 0.047 0.000 2.470 309 N HA -0.004 4.736 4.740 -0.000 0.000 0.268 309 N C -1.747 173.804 175.510 0.069 0.000 1.136 309 N CA -1.101 51.980 53.050 0.051 0.000 0.961 309 N CB 1.565 40.079 38.487 0.044 0.000 1.067 309 N HN -0.113 nan 8.380 nan 0.000 0.468 310 P HA -0.019 nan 4.420 nan 0.000 0.233 310 P C -0.343 177.001 177.300 0.073 0.000 1.167 310 P CA 0.872 64.022 63.100 0.085 0.000 0.770 310 P CB 0.308 32.056 31.700 0.080 0.000 0.837 311 N N -1.088 117.646 118.700 0.056 0.000 2.353 311 N HA 0.014 4.754 4.740 -0.000 0.000 0.185 311 N C 0.171 175.710 175.510 0.047 0.000 1.098 311 N CA 0.533 53.607 53.050 0.041 0.000 0.872 311 N CB -0.312 38.191 38.487 0.027 0.000 0.970 311 N HN -0.002 nan 8.380 nan 0.000 0.467 312 T N 2.438 117.034 114.554 0.069 0.000 2.743 312 T HA 0.314 4.664 4.350 -0.000 0.000 0.293 312 T C -2.193 172.580 174.700 0.123 0.000 0.945 312 T CA -1.239 60.909 62.100 0.080 0.000 1.030 312 T CB 1.735 70.652 68.868 0.082 0.000 0.912 312 T HN -0.039 nan 8.240 nan 0.000 0.483 313 P HA 0.414 nan 4.420 nan 0.000 0.312 313 P C -1.291 176.133 177.300 0.205 0.000 1.307 313 P CA -0.344 62.793 63.100 0.062 0.000 0.738 313 P CB 0.381 32.059 31.700 -0.037 0.000 1.422 314 Y N -4.475 115.849 120.300 0.040 0.000 2.687 314 Y HA 0.431 4.981 4.550 -0.000 0.000 0.338 314 Y C -1.655 174.272 175.900 0.044 0.000 1.189 314 Y CA -1.290 56.840 58.100 0.049 0.000 1.097 314 Y CB 0.149 38.652 38.460 0.071 0.000 1.342 314 Y HN 0.064 nan 8.280 nan 0.000 0.461 315 D N 2.864 123.364 120.400 0.167 0.000 2.380 315 D HA 0.113 4.753 4.640 -0.000 0.000 0.230 315 D C 0.835 177.209 176.300 0.124 0.000 1.154 315 D CA -0.227 53.806 54.000 0.055 0.000 0.859 315 D CB 1.480 42.330 40.800 0.082 0.000 1.045 315 D HN 0.813 nan 8.370 nan 0.000 0.495 316 M N 4.339 123.923 119.600 -0.026 0.000 2.192 316 M HA -0.201 4.279 4.480 -0.000 0.000 0.259 316 M C 1.464 177.782 176.300 0.031 0.000 1.071 316 M CA 1.777 57.108 55.300 0.052 0.000 1.082 316 M CB -0.105 32.453 32.600 -0.070 0.000 1.373 316 M HN 0.267 nan 8.290 nan 0.000 0.408 317 K N -0.595 119.813 120.400 0.012 0.000 2.280 317 K HA -0.205 4.115 4.320 -0.000 0.000 0.202 317 K C 1.952 178.615 176.600 0.105 0.000 1.047 317 K CA 1.431 57.710 56.287 -0.014 0.000 0.942 317 K CB -0.235 32.318 32.500 0.087 0.000 0.739 317 K HN 0.590 nan 8.250 nan 0.000 0.457 318 E N 0.987 121.285 120.200 0.164 0.000 2.031 318 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 318 E C 1.988 178.683 176.600 0.158 0.000 0.994 318 E CA 0.989 57.505 56.400 0.193 0.000 0.800 318 E CB -0.013 29.794 29.700 0.178 0.000 0.752 318 E HN 0.120 nan 8.360 nan 0.000 0.447 319 L N 1.405 122.709 121.223 0.136 0.000 1.990 319 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 319 L C 2.200 179.080 176.870 0.016 0.000 1.072 319 L CA 1.767 56.673 54.840 0.111 0.000 0.755 319 L CB -0.660 41.454 42.059 0.092 0.000 0.889 319 L HN 0.289 nan 8.230 nan 0.000 0.432 320 I N -0.966 119.532 120.570 -0.120 0.000 2.087 320 I HA -0.407 3.763 4.170 -0.000 0.000 0.240 320 I C 2.588 178.560 176.117 -0.242 0.000 1.054 320 I CA 1.675 62.791 61.300 -0.307 0.000 1.311 320 I CB -0.732 36.840 38.000 -0.712 0.000 1.024 320 I HN 0.435 nan 8.210 nan 0.000 0.402 321 H N 1.353 120.375 119.070 -0.081 0.000 2.319 321 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 321 H C 2.254 177.615 175.328 0.055 0.000 1.092 321 H CA 1.479 57.539 56.048 0.020 0.000 1.302 321 H CB -0.297 29.500 29.762 0.057 0.000 1.373 321 H HN 0.378 nan 8.280 nan 0.000 0.497 322 K N 0.445 120.951 120.400 0.176 0.000 2.147 322 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 322 K C 2.406 179.075 176.600 0.115 0.000 1.049 322 K CA 0.752 57.122 56.287 0.138 0.000 0.936 322 K CB 0.029 32.605 32.500 0.127 0.000 0.722 322 K HN 0.212 nan 8.250 nan 0.000 0.446 323 L N 0.984 122.261 121.223 0.090 0.000 2.068 323 L HA 0.019 4.359 4.340 -0.000 0.000 0.204 323 L C 1.326 178.249 176.870 0.088 0.000 1.076 323 L CA -0.069 54.821 54.840 0.083 0.000 0.753 323 L CB -0.591 41.505 42.059 0.062 0.000 0.910 323 L HN 0.051 nan 8.230 nan 0.000 0.439 324 A N 0.615 123.483 122.820 0.079 0.000 2.583 324 A HA -0.138 4.182 4.320 -0.000 0.000 0.231 324 A C 0.719 178.383 177.584 0.134 0.000 1.065 324 A CA 0.076 52.183 52.037 0.116 0.000 0.760 324 A CB 0.010 19.099 19.000 0.149 0.000 1.001 324 A HN 0.241 nan 8.150 nan 0.000 0.509 325 D N 0.311 120.787 120.400 0.128 0.000 2.003 325 D HA -0.102 4.538 4.640 -0.000 0.000 0.251 325 D C 1.107 177.504 176.300 0.161 0.000 1.063 325 D CA 1.753 55.829 54.000 0.127 0.000 0.968 325 D CB -0.218 40.631 40.800 0.080 0.000 1.349 325 D HN 0.748 nan 8.370 nan 0.000 0.514 326 E N -0.431 119.868 120.200 0.165 0.000 2.301 326 E HA 0.311 4.661 4.350 -0.000 0.000 0.195 326 E C 0.800 177.510 176.600 0.183 0.000 1.171 326 E CA 0.321 56.825 56.400 0.174 0.000 1.142 326 E CB -0.145 29.660 29.700 0.175 0.000 1.218 326 E HN 0.528 nan 8.360 nan 0.000 0.448 327 G N 1.859 110.781 108.800 0.204 0.000 2.184 327 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 327 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 327 G C 0.004 175.122 174.900 0.363 0.000 0.975 327 G CA 0.338 45.594 45.100 0.260 0.000 0.642 327 G HN 0.449 nan 8.290 nan 0.000 0.536 328 D N -0.173 120.415 120.400 0.314 0.000 2.343 328 D HA 0.509 5.149 4.640 -0.000 0.000 0.255 328 D C -0.480 176.118 176.300 0.497 0.000 1.187 328 D CA -0.138 54.085 54.000 0.371 0.000 0.875 328 D CB 0.069 41.047 40.800 0.297 0.000 1.136 328 D HN 0.152 nan 8.370 nan 0.000 0.469 329 F N 5.253 125.385 119.950 0.304 0.000 2.659 329 F HA 0.271 4.798 4.527 -0.000 0.000 0.342 329 F C -2.030 173.908 175.800 0.230 0.000 1.168 329 F CA -1.198 56.930 58.000 0.214 0.000 1.003 329 F CB 0.634 39.602 39.000 -0.054 0.000 1.267 329 F HN 0.305 nan 8.300 nan 0.000 0.463 330 Y N 5.986 126.131 120.300 -0.258 0.000 2.595 330 Y HA 0.298 4.848 4.550 -0.000 0.000 0.347 330 Y C 0.366 175.788 175.900 -0.797 0.000 1.025 330 Y CA -0.173 57.690 58.100 -0.394 0.000 1.295 330 Y CB 0.281 38.548 38.460 -0.321 0.000 1.147 330 Y HN 0.708 nan 8.280 nan 0.000 0.515 331 E N 4.244 123.867 120.200 -0.962 0.000 2.354 331 E HA 0.286 4.636 4.350 -0.000 0.000 0.269 331 E C -1.341 175.032 176.600 -0.378 0.000 1.036 331 E CA -0.462 55.428 56.400 -0.849 0.000 0.876 331 E CB 0.667 30.011 29.700 -0.594 0.000 1.009 331 E HN 0.611 nan 8.360 nan 0.000 0.416 332 I N 3.479 123.869 120.570 -0.300 0.000 2.441 332 I HA 0.076 4.245 4.170 -0.000 0.000 0.295 332 I C -0.199 175.846 176.117 -0.119 0.000 0.994 332 I CA 0.199 61.430 61.300 -0.115 0.000 1.144 332 I CB 1.580 39.551 38.000 -0.048 0.000 1.314 332 I HN 0.731 nan 8.210 nan 0.000 0.445 333 Q N 2.893 122.656 119.800 -0.062 0.000 2.439 333 Q HA -0.282 4.058 4.340 -0.000 0.000 0.325 333 Q C 1.177 177.187 176.000 0.016 0.000 1.372 333 Q CA 1.006 56.795 55.803 -0.023 0.000 0.909 333 Q CB -0.746 27.992 28.738 0.001 0.000 1.167 333 Q HN 0.798 nan 8.270 nan 0.000 0.418 334 E N 0.734 120.919 120.200 -0.025 0.000 2.077 334 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 334 E C 0.818 177.431 176.600 0.021 0.000 0.989 334 E CA 1.100 57.492 56.400 -0.013 0.000 0.800 334 E CB 0.276 29.952 29.700 -0.039 0.000 0.746 334 E HN 0.375 nan 8.360 nan 0.000 0.452 335 E N -0.292 119.930 120.200 0.036 0.000 2.445 335 E HA 0.055 4.405 4.350 -0.000 0.000 0.189 335 E C -0.562 176.104 176.600 0.110 0.000 1.069 335 E CA 0.076 56.506 56.400 0.049 0.000 0.871 335 E CB -0.082 29.639 29.700 0.035 0.000 0.991 335 E HN 0.188 nan 8.360 nan 0.000 0.481 336 F N 0.212 120.136 119.950 -0.043 0.000 2.588 336 F HA 0.496 5.023 4.527 -0.000 0.000 0.314 336 F C 0.072 175.849 175.800 -0.038 0.000 1.069 336 F CA -0.616 57.362 58.000 -0.037 0.000 0.931 336 F CB 1.399 40.375 39.000 -0.040 0.000 1.260 336 F HN -0.039 nan 8.300 nan 0.000 0.465 337 A N 3.999 126.174 122.820 -1.074 0.000 2.550 337 A HA -0.302 4.018 4.320 -0.000 0.000 0.298 337 A C 1.383 178.823 177.584 -0.241 0.000 1.485 337 A CA 1.380 53.031 52.037 -0.644 0.000 0.780 337 A CB -1.931 16.802 19.000 -0.445 0.000 1.045 337 A HN 0.864 nan 8.150 nan 0.000 0.423 338 K N 0.163 120.445 120.400 -0.195 0.000 2.520 338 K HA -0.210 4.110 4.320 -0.000 0.000 0.197 338 K C 1.488 178.031 176.600 -0.096 0.000 1.044 338 K CA 1.259 57.483 56.287 -0.105 0.000 0.938 338 K CB -0.256 32.194 32.500 -0.084 0.000 0.767 338 K HN 1.013 nan 8.250 nan 0.000 0.481 339 N N 0.686 119.317 118.700 -0.115 0.000 2.521 339 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 339 N C 0.455 175.916 175.510 -0.082 0.000 1.146 339 N CA 0.424 53.416 53.050 -0.098 0.000 0.893 339 N CB 0.169 38.596 38.487 -0.100 0.000 0.975 339 N HN 0.206 nan 8.380 nan 0.000 0.451 340 I N 0.102 120.631 120.570 -0.069 0.000 2.752 340 I HA 0.410 4.580 4.170 -0.000 0.000 0.295 340 I C -1.532 174.562 176.117 -0.039 0.000 1.219 340 I CA -0.992 60.281 61.300 -0.046 0.000 1.030 340 I CB 2.293 40.280 38.000 -0.022 0.000 1.259 340 I HN -0.213 nan 8.210 nan 0.000 0.423 341 I N 5.291 125.837 120.570 -0.040 0.000 2.441 341 I HA 0.496 4.666 4.170 -0.000 0.000 0.295 341 I C -0.528 175.533 176.117 -0.093 0.000 0.994 341 I CA -0.469 60.811 61.300 -0.034 0.000 1.144 341 I CB 2.184 40.179 38.000 -0.008 0.000 1.314 341 I HN 0.527 nan 8.210 nan 0.000 0.445 342 T N 1.457 115.892 114.554 -0.199 0.000 2.879 342 T HA 0.864 5.214 4.350 -0.000 0.000 0.290 342 T C -0.385 173.899 174.700 -0.694 0.000 0.993 342 T CA -0.759 60.965 62.100 -0.626 0.000 0.975 342 T CB 1.877 70.172 68.868 -0.955 0.000 0.981 342 T HN 0.961 nan 8.240 nan 0.000 0.439 343 G N 1.347 109.755 108.800 -0.652 0.000 2.606 343 G HA2 0.646 4.606 3.960 -0.000 0.000 0.300 343 G HA3 0.646 4.606 3.960 -0.000 0.000 0.300 343 G C -2.164 172.658 174.900 -0.130 0.000 1.360 343 G CA -0.877 43.974 45.100 -0.416 0.000 0.783 343 G HN 0.542 nan 8.290 nan 0.000 0.484 344 F N 0.292 120.342 119.950 0.165 0.000 2.522 344 F HA 0.818 5.345 4.527 -0.000 0.000 0.324 344 F C 0.697 176.716 175.800 0.365 0.000 1.077 344 F CA -0.929 57.167 58.000 0.161 0.000 0.944 344 F CB 2.006 40.724 39.000 -0.471 0.000 1.175 344 F HN 0.603 nan 8.300 nan 0.000 0.468 345 I N -1.007 119.987 120.570 0.706 0.000 3.352 345 I HA 0.728 4.898 4.170 -0.000 0.000 0.316 345 I C -1.461 174.942 176.117 0.476 0.000 1.214 345 I CA -1.240 60.428 61.300 0.615 0.000 0.934 345 I CB 2.867 41.090 38.000 0.372 0.000 1.310 345 I HN 0.472 nan 8.210 nan 0.000 0.475 346 R N 1.109 121.749 120.500 0.233 0.000 2.854 346 R HA 0.837 5.177 4.340 -0.000 0.000 0.271 346 R C -1.686 174.591 176.300 -0.039 0.000 0.994 346 R CA -0.959 55.159 56.100 0.029 0.000 0.945 346 R CB 2.649 32.882 30.300 -0.111 0.000 1.194 346 R HN 0.546 nan 8.270 nan 0.000 0.476 347 L N 1.322 122.452 121.223 -0.155 0.000 2.436 347 L HA 0.303 4.643 4.340 -0.000 0.000 0.268 347 L C -0.227 176.391 176.870 -0.420 0.000 0.974 347 L CA -0.439 54.287 54.840 -0.190 0.000 0.826 347 L CB 2.161 44.147 42.059 -0.122 0.000 1.291 347 L HN 0.785 nan 8.230 nan 0.000 0.406 348 E N 2.312 122.081 120.200 -0.719 0.000 2.328 348 E HA -0.273 4.077 4.350 -0.000 0.000 0.233 348 E C 1.017 176.721 176.600 -1.492 0.000 1.219 348 E CA 0.711 56.121 56.400 -1.650 0.000 0.717 348 E CB -0.861 28.431 29.700 -0.680 0.000 1.210 348 E HN 1.123 nan 8.360 nan 0.000 0.381 349 G N -0.085 108.090 108.800 -1.041 0.000 2.168 349 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.257 349 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.257 349 G C 0.102 174.827 174.900 -0.292 0.000 0.997 349 G CA 0.931 45.763 45.100 -0.447 0.000 0.708 349 G HN 0.271 nan 8.290 nan 0.000 0.520 350 R N -0.423 119.906 120.500 -0.284 0.000 2.740 350 R HA 0.640 4.980 4.340 -0.000 0.000 0.282 350 R C 0.189 176.408 176.300 -0.136 0.000 0.969 350 R CA -0.429 55.559 56.100 -0.186 0.000 0.918 350 R CB 1.144 31.344 30.300 -0.167 0.000 1.175 350 R HN 0.091 nan 8.270 nan 0.000 0.464 351 T N 1.652 116.162 114.554 -0.074 0.000 2.916 351 T HA 0.293 4.643 4.350 -0.000 0.000 0.303 351 T C -0.515 174.198 174.700 0.022 0.000 1.025 351 T CA 0.019 62.151 62.100 0.053 0.000 1.142 351 T CB 0.394 69.314 68.868 0.086 0.000 0.947 351 T HN 0.157 nan 8.240 nan 0.000 0.544 352 V N 3.007 122.996 119.914 0.125 0.000 2.524 352 V HA 0.558 4.678 4.120 -0.000 0.000 0.297 352 V C 0.653 176.936 176.094 0.315 0.000 1.035 352 V CA -1.152 61.166 62.300 0.031 0.000 0.867 352 V CB 1.829 33.528 31.823 -0.208 0.000 1.004 352 V HN 1.020 nan 8.190 nan 0.000 0.426 353 G N 2.260 111.287 108.800 0.379 0.000 2.467 353 G HA2 0.533 4.493 3.960 -0.000 0.000 0.257 353 G HA3 0.533 4.493 3.960 -0.000 0.000 0.257 353 G C -0.794 174.385 174.900 0.464 0.000 1.227 353 G CA -0.307 45.127 45.100 0.558 0.000 0.835 353 G HN 0.874 nan 8.290 nan 0.000 0.556 354 V N 2.233 122.435 119.914 0.479 0.000 2.686 354 V HA 0.669 4.789 4.120 -0.000 0.000 0.306 354 V C -1.011 175.175 176.094 0.152 0.000 1.065 354 V CA -0.614 61.851 62.300 0.275 0.000 0.894 354 V CB 2.070 33.977 31.823 0.141 0.000 1.004 354 V HN 0.578 nan 8.190 nan 0.000 0.424 355 V N 6.111 126.132 119.914 0.178 0.000 2.487 355 V HA 0.982 5.102 4.120 -0.000 0.000 0.298 355 V C 0.184 176.324 176.094 0.077 0.000 1.028 355 V CA 0.221 62.595 62.300 0.123 0.000 0.860 355 V CB 1.332 33.318 31.823 0.272 0.000 0.991 355 V HN 1.336 nan 8.190 nan 0.000 0.427 356 A N 3.989 126.815 122.820 0.010 0.000 2.549 356 A HA 0.720 5.040 4.320 -0.000 0.000 0.297 356 A C -0.819 176.744 177.584 -0.035 0.000 1.061 356 A CA -0.846 51.179 52.037 -0.019 0.000 0.690 356 A CB 1.297 20.260 19.000 -0.062 0.000 1.287 356 A HN 0.809 nan 8.150 nan 0.000 0.402 357 N N 0.962 119.636 118.700 -0.044 0.000 2.488 357 N HA 0.411 5.151 4.740 -0.000 0.000 0.274 357 N C -0.443 175.007 175.510 -0.101 0.000 1.111 357 N CA -0.110 52.901 53.050 -0.064 0.000 0.974 357 N CB 0.918 39.370 38.487 -0.057 0.000 1.089 357 N HN 0.581 nan 8.380 nan 0.000 0.465 358 Q N 3.785 123.519 119.800 -0.111 0.000 2.430 358 Q HA 0.323 4.663 4.340 -0.000 0.000 0.245 358 Q C -2.205 173.688 176.000 -0.178 0.000 1.021 358 Q CA -2.178 53.538 55.803 -0.146 0.000 0.867 358 Q CB 1.408 30.085 28.738 -0.103 0.000 1.210 358 Q HN 0.355 nan 8.270 nan 0.000 0.487 359 P HA -0.154 nan 4.420 nan 0.000 0.218 359 P C 0.625 177.821 177.300 -0.175 0.000 1.148 359 P CA 1.136 64.082 63.100 -0.257 0.000 0.822 359 P CB 0.187 31.604 31.700 -0.473 0.000 0.784 360 L N -1.930 119.189 121.223 -0.174 0.000 2.261 360 L HA -0.096 4.244 4.340 -0.000 0.000 0.216 360 L C 0.653 177.476 176.870 -0.078 0.000 1.114 360 L CA 0.838 55.616 54.840 -0.103 0.000 0.777 360 L CB -0.416 41.594 42.059 -0.082 0.000 0.910 360 L HN -0.130 nan 8.230 nan 0.000 0.440 361 V N 0.097 119.959 119.914 -0.087 0.000 2.531 361 V HA 0.220 4.340 4.120 -0.000 0.000 0.301 361 V C 0.687 176.734 176.094 -0.077 0.000 1.034 361 V CA -0.866 61.388 62.300 -0.076 0.000 0.865 361 V CB 2.040 33.815 31.823 -0.080 0.000 0.995 361 V HN 0.165 nan 8.190 nan 0.000 0.424 362 L N 3.743 124.926 121.223 -0.066 0.000 4.111 362 L HA -0.309 4.031 4.340 -0.000 0.000 0.428 362 L C 1.096 177.930 176.870 -0.060 0.000 1.149 362 L CA 0.600 55.404 54.840 -0.060 0.000 0.981 362 L CB -1.487 40.533 42.059 -0.066 0.000 1.914 362 L HN 1.276 nan 8.230 nan 0.000 1.016 363 A N -1.053 121.729 122.820 -0.064 0.000 2.610 363 A HA 0.046 4.366 4.320 -0.000 0.000 0.299 363 A C 1.609 179.150 177.584 -0.071 0.000 1.487 363 A CA 1.243 53.242 52.037 -0.063 0.000 0.743 363 A CB -1.766 17.206 19.000 -0.046 0.000 1.070 363 A HN 2.140 nan 8.150 nan 0.000 0.439 364 G N -2.280 106.467 108.800 -0.089 0.000 2.244 364 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.274 364 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.274 364 G C 0.835 175.680 174.900 -0.093 0.000 1.002 364 G CA 0.880 45.925 45.100 -0.091 0.000 0.740 364 G HN 1.810 nan 8.290 nan 0.000 0.516 365 C N -0.429 118.816 119.300 -0.091 0.000 2.700 365 C HA 0.524 4.984 4.460 -0.000 0.000 0.397 365 C C 1.303 176.207 174.990 -0.144 0.000 1.301 365 C CA -0.379 58.572 59.018 -0.111 0.000 2.219 365 C CB 0.119 27.819 27.740 -0.066 0.000 2.699 365 C HN 0.479 nan 8.230 nan 0.000 0.669 366 L N 3.790 124.860 121.223 -0.256 0.000 2.322 366 L HA 0.533 4.873 4.340 -0.000 0.000 0.279 366 L C 0.012 176.886 176.870 0.006 0.000 1.036 366 L CA 0.154 54.835 54.840 -0.264 0.000 0.807 366 L CB 1.070 42.643 42.059 -0.810 0.000 1.226 366 L HN 0.794 nan 8.230 nan 0.000 0.433 367 D N 2.122 122.592 120.400 0.116 0.000 2.615 367 D HA 0.212 4.852 4.640 -0.000 0.000 0.267 367 D C 0.956 177.356 176.300 0.166 0.000 1.236 367 D CA -0.680 53.424 54.000 0.174 0.000 0.839 367 D CB 1.363 42.196 40.800 0.055 0.000 1.380 367 D HN 0.335 nan 8.370 nan 0.000 0.433 368 I N 0.402 121.055 120.570 0.139 0.000 2.094 368 I HA -0.390 3.780 4.170 -0.000 0.000 0.236 368 I C 1.743 177.900 176.117 0.067 0.000 1.016 368 I CA 2.063 63.426 61.300 0.106 0.000 1.294 368 I CB -0.389 37.615 38.000 0.007 0.000 1.006 368 I HN 0.454 nan 8.210 nan 0.000 0.397 369 D N 0.580 120.993 120.400 0.021 0.000 2.092 369 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 369 D C 2.364 178.719 176.300 0.093 0.000 0.994 369 D CA 2.005 56.043 54.000 0.065 0.000 0.828 369 D CB -0.426 40.295 40.800 -0.132 0.000 0.963 369 D HN 0.444 nan 8.370 nan 0.000 0.450 370 S N -0.309 115.392 115.700 0.000 0.000 2.383 370 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 370 S C 2.153 176.814 174.600 0.102 0.000 1.030 370 S CA 1.578 59.791 58.200 0.023 0.000 1.002 370 S CB -0.433 62.754 63.200 -0.021 0.000 0.829 370 S HN 0.053 nan 8.310 nan 0.000 0.467 371 S N 2.018 117.799 115.700 0.136 0.000 2.348 371 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 371 S C 2.117 176.818 174.600 0.167 0.000 1.033 371 S CA 1.187 59.495 58.200 0.180 0.000 1.010 371 S CB -0.330 63.017 63.200 0.245 0.000 0.891 371 S HN 0.596 nan 8.310 nan 0.000 0.442 372 R N 1.143 121.742 120.500 0.164 0.000 2.096 372 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 372 R C 2.435 178.812 176.300 0.128 0.000 1.127 372 R CA 1.188 57.370 56.100 0.137 0.000 0.968 372 R CB -0.212 30.151 30.300 0.106 0.000 0.861 372 R HN 0.336 nan 8.270 nan 0.000 0.440 373 K N 0.814 121.328 120.400 0.190 0.000 2.001 373 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 373 K C 2.077 178.753 176.600 0.126 0.000 1.048 373 K CA 1.489 57.883 56.287 0.178 0.000 0.932 373 K CB -0.090 32.593 32.500 0.304 0.000 0.715 373 K HN 0.156 nan 8.250 nan 0.000 0.437 374 A N 1.111 124.007 122.820 0.127 0.000 1.897 374 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 374 A C 2.341 180.007 177.584 0.137 0.000 1.181 374 A CA 1.629 53.749 52.037 0.137 0.000 0.620 374 A CB -0.834 18.247 19.000 0.134 0.000 0.821 374 A HN 0.491 nan 8.150 nan 0.000 0.443 375 A N 0.031 122.914 122.820 0.106 0.000 1.881 375 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 375 A C 2.272 179.886 177.584 0.050 0.000 1.215 375 A CA 2.298 54.375 52.037 0.067 0.000 0.648 375 A CB -0.650 18.405 19.000 0.090 0.000 0.832 375 A HN 0.545 nan 8.150 nan 0.000 0.455 376 R N -2.140 118.396 120.500 0.060 0.000 2.081 376 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 376 R C 1.995 178.337 176.300 0.071 0.000 1.131 376 R CA 1.640 57.761 56.100 0.035 0.000 0.960 376 R CB -0.440 29.852 30.300 -0.013 0.000 0.856 376 R HN 0.536 nan 8.270 nan 0.000 0.436 377 F N 0.723 120.655 119.950 -0.029 0.000 2.065 377 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 377 F C 1.978 177.822 175.800 0.074 0.000 1.112 377 F CA 1.758 59.759 58.000 0.001 0.000 1.212 377 F CB -0.630 38.350 39.000 -0.034 0.000 0.975 377 F HN -0.200 nan 8.300 nan 0.000 0.476 378 V N 1.424 121.349 119.914 0.018 0.000 2.231 378 V HA -0.369 3.751 4.120 -0.000 0.000 0.248 378 V C 2.624 178.656 176.094 -0.104 0.000 1.054 378 V CA 2.432 64.651 62.300 -0.134 0.000 1.015 378 V CB -0.799 30.825 31.823 -0.332 0.000 0.638 378 V HN 0.305 nan 8.190 nan 0.000 0.444 379 R N -0.817 119.656 120.500 -0.045 0.000 2.103 379 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 379 R C 2.241 178.554 176.300 0.022 0.000 1.142 379 R CA 2.215 58.309 56.100 -0.010 0.000 0.960 379 R CB -0.950 29.358 30.300 0.014 0.000 0.858 379 R HN 0.588 nan 8.270 nan 0.000 0.439 380 F N 1.315 121.212 119.950 -0.089 0.000 2.102 380 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 380 F C 2.364 178.221 175.800 0.095 0.000 1.105 380 F CA 1.355 59.361 58.000 0.011 0.000 1.239 380 F CB -0.465 38.485 39.000 -0.083 0.000 0.991 380 F HN -0.049 nan 8.300 nan 0.000 0.474 381 C N 0.411 119.696 119.300 -0.024 0.000 2.413 381 C HA -0.187 4.273 4.460 -0.000 0.000 0.277 381 C C 2.506 177.443 174.990 -0.090 0.000 1.265 381 C CA 1.537 60.501 59.018 -0.090 0.000 1.752 381 C CB -1.389 26.278 27.740 -0.122 0.000 1.998 381 C HN 0.662 nan 8.230 nan 0.000 0.489 382 D N 0.699 121.048 120.400 -0.085 0.000 2.103 382 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 382 D C 2.179 178.396 176.300 -0.138 0.000 0.978 382 D CA 1.329 55.286 54.000 -0.072 0.000 0.829 382 D CB -0.195 40.574 40.800 -0.052 0.000 0.981 382 D HN 0.332 nan 8.370 nan 0.000 0.464 383 A N -0.631 122.060 122.820 -0.214 0.000 2.032 383 A HA -0.100 4.220 4.320 -0.000 0.000 0.221 383 A C 1.196 178.414 177.584 -0.610 0.000 1.165 383 A CA 0.943 52.742 52.037 -0.397 0.000 0.645 383 A CB -0.695 18.017 19.000 -0.479 0.000 0.807 383 A HN 0.362 nan 8.150 nan 0.000 0.453 384 F N -0.310 119.457 119.950 -0.306 0.000 2.850 384 F HA 0.275 4.802 4.527 0.000 0.000 0.306 384 F C 0.483 176.169 175.800 -0.189 0.000 1.162 384 F CA -0.328 57.495 58.000 -0.296 0.000 1.327 384 F CB 0.392 39.075 39.000 -0.527 0.000 0.953 384 F HN 0.127 nan 8.300 nan 0.000 0.507 385 E N 0.015 120.200 120.200 -0.024 0.000 2.971 385 E HA -0.267 4.083 4.350 -0.000 0.000 0.271 385 E C 0.079 176.690 176.600 0.019 0.000 1.053 385 E CA 0.658 57.060 56.400 0.004 0.000 0.817 385 E CB -1.709 27.998 29.700 0.012 0.000 1.410 385 E HN 0.448 nan 8.360 nan 0.000 0.445 386 I N 1.516 122.097 120.570 0.018 0.000 2.371 386 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 386 I C -1.865 174.286 176.117 0.058 0.000 1.028 386 I CA -1.815 59.505 61.300 0.035 0.000 1.345 386 I CB 0.718 38.761 38.000 0.071 0.000 1.407 386 I HN -0.237 nan 8.210 nan 0.000 0.501 387 P HA 0.255 nan 4.420 nan 0.000 0.273 387 P C -0.964 176.430 177.300 0.157 0.000 1.250 387 P CA -0.260 62.910 63.100 0.116 0.000 0.793 387 P CB 0.653 32.356 31.700 0.005 0.000 1.011 388 L N 0.830 122.253 121.223 0.334 0.000 2.365 388 L HA 0.552 4.892 4.340 -0.000 0.000 0.273 388 L C -0.738 176.454 176.870 0.536 0.000 1.000 388 L CA -0.912 54.147 54.840 0.365 0.000 0.819 388 L CB 1.707 43.962 42.059 0.326 0.000 1.284 388 L HN 0.188 nan 8.230 nan 0.000 0.418 389 L N 2.392 123.879 121.223 0.441 0.000 2.356 389 L HA 0.622 4.962 4.340 -0.000 0.000 0.277 389 L C -0.657 176.375 176.870 0.270 0.000 0.996 389 L CA 0.238 55.325 54.840 0.411 0.000 0.822 389 L CB 1.951 44.231 42.059 0.369 0.000 1.256 389 L HN 0.514 nan 8.230 nan 0.000 0.413 390 T N 6.219 120.892 114.554 0.199 0.000 2.815 390 T HA 0.528 4.878 4.350 -0.000 0.000 0.289 390 T C -0.292 174.433 174.700 0.041 0.000 1.000 390 T CA -0.309 61.875 62.100 0.141 0.000 0.958 390 T CB 0.717 69.658 68.868 0.122 0.000 0.944 390 T HN 0.414 nan 8.240 nan 0.000 0.442 391 L N 4.495 125.722 121.223 0.006 0.000 2.257 391 L HA 0.554 4.894 4.340 -0.000 0.000 0.290 391 L C -0.214 176.620 176.870 -0.059 0.000 1.044 391 L CA -0.730 54.070 54.840 -0.067 0.000 0.810 391 L CB 0.653 42.655 42.059 -0.096 0.000 1.193 391 L HN 0.512 nan 8.230 nan 0.000 0.425 392 I N 3.274 123.800 120.570 -0.074 0.000 2.437 392 I HA 0.362 4.532 4.170 -0.000 0.000 0.298 392 I C -0.301 175.813 176.117 -0.006 0.000 0.984 392 I CA -0.048 61.230 61.300 -0.037 0.000 1.214 392 I CB 1.742 39.730 38.000 -0.021 0.000 1.365 392 I HN 0.531 nan 8.210 nan 0.000 0.469 393 D N 4.753 125.167 120.400 0.024 0.000 3.709 393 D HA 0.087 4.727 4.640 -0.000 0.000 0.246 393 D C -1.639 174.688 176.300 0.046 0.000 1.445 393 D CA 0.001 54.046 54.000 0.075 0.000 0.861 393 D CB 0.863 41.741 40.800 0.130 0.000 1.433 393 D HN 0.205 nan 8.370 nan 0.000 0.723 394 V N 2.591 122.536 119.914 0.051 0.000 2.483 394 V HA 0.653 4.773 4.120 -0.000 0.000 0.295 394 V C -1.702 174.439 176.094 0.079 0.000 1.035 394 V CA -1.909 60.398 62.300 0.013 0.000 0.896 394 V CB 2.275 34.063 31.823 -0.058 0.000 0.986 394 V HN 0.076 nan 8.190 nan 0.000 0.447 395 P HA 0.304 nan 4.420 nan 0.000 0.217 395 P C 0.547 177.860 177.300 0.023 0.000 1.153 395 P CA 1.578 64.683 63.100 0.009 0.000 0.843 395 P CB 0.789 32.458 31.700 -0.051 0.000 0.794 396 G N -1.328 107.456 108.800 -0.026 0.000 2.452 396 G HA2 0.322 4.282 3.960 -0.000 0.000 0.224 396 G HA3 0.322 4.282 3.960 -0.000 0.000 0.224 396 G C -1.674 173.146 174.900 -0.133 0.000 1.208 396 G CA -0.699 44.400 45.100 -0.002 0.000 0.946 396 G HN 0.006 nan 8.290 nan 0.000 0.481 397 F N -0.205 119.763 119.950 0.029 0.000 2.450 397 F HA 0.691 5.218 4.527 0.000 0.000 0.328 397 F C 0.471 176.271 175.800 0.000 0.000 1.068 397 F CA -0.664 57.347 58.000 0.019 0.000 1.007 397 F CB 1.682 40.697 39.000 0.025 0.000 1.251 397 F HN 0.340 nan 8.300 nan 0.000 0.492 398 L N 4.669 126.000 121.223 0.180 0.000 2.369 398 L HA 0.397 4.737 4.340 -0.000 0.000 0.279 398 L C -2.441 174.474 176.870 0.075 0.000 1.108 398 L CA -1.703 53.187 54.840 0.082 0.000 0.852 398 L CB -0.322 41.765 42.059 0.047 0.000 1.169 398 L HN 0.267 nan 8.230 nan 0.000 0.452 399 P HA 0.567 nan 4.420 nan 0.000 0.270 399 P C -0.620 176.667 177.300 -0.023 0.000 1.223 399 P CA -0.217 62.889 63.100 0.009 0.000 0.785 399 P CB 0.799 32.498 31.700 -0.001 0.000 0.923 400 G N -0.952 107.814 108.800 -0.057 0.000 2.307 400 G HA2 0.061 4.021 3.960 -0.000 0.000 0.348 400 G HA3 0.061 4.021 3.960 -0.000 0.000 0.348 400 G C 0.332 175.120 174.900 -0.186 0.000 1.603 400 G CA -0.174 44.867 45.100 -0.097 0.000 0.961 400 G HN 0.414 nan 8.290 nan 0.000 0.686 401 T N 0.215 114.607 114.554 -0.271 0.000 2.857 401 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 401 T C 2.750 177.121 174.700 -0.548 0.000 1.048 401 T CA 2.851 64.595 62.100 -0.594 0.000 1.139 401 T CB -0.264 68.264 68.868 -0.566 0.000 0.874 401 T HN 1.231 nan 8.240 nan 0.000 0.455 402 S N 0.318 115.876 115.700 -0.236 0.000 2.365 402 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 402 S C 2.127 176.702 174.600 -0.041 0.000 1.039 402 S CA 1.418 59.566 58.200 -0.086 0.000 1.033 402 S CB -0.402 62.771 63.200 -0.045 0.000 0.887 402 S HN 0.472 nan 8.310 nan 0.000 0.447 403 Q N 0.525 120.291 119.800 -0.056 0.000 1.990 403 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 403 Q C 2.399 178.405 176.000 0.010 0.000 0.980 403 Q CA 1.345 57.145 55.803 -0.004 0.000 0.832 403 Q CB -0.635 28.104 28.738 0.001 0.000 0.897 403 Q HN 0.624 nan 8.270 nan 0.000 0.427 404 E N 0.171 120.342 120.200 -0.049 0.000 2.058 404 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 404 E C 1.985 178.685 176.600 0.166 0.000 0.997 404 E CA 1.021 57.428 56.400 0.011 0.000 0.801 404 E CB -0.282 29.395 29.700 -0.039 0.000 0.746 404 E HN 0.414 nan 8.360 nan 0.000 0.450 405 Y N 0.268 120.577 120.300 0.014 0.000 2.421 405 Y HA 0.029 4.579 4.550 -0.000 0.000 0.292 405 Y C 2.434 178.353 175.900 0.031 0.000 1.136 405 Y CA 0.772 58.882 58.100 0.016 0.000 1.255 405 Y CB -1.019 37.449 38.460 0.012 0.000 0.991 405 Y HN 0.049 nan 8.280 nan 0.000 0.552 406 G N -1.094 107.822 108.800 0.193 0.000 2.712 406 G HA2 0.251 4.211 3.960 -0.000 0.000 0.212 406 G HA3 0.251 4.211 3.960 -0.000 0.000 0.212 406 G C 1.273 176.296 174.900 0.205 0.000 1.142 406 G CA 0.464 45.659 45.100 0.158 0.000 0.789 406 G HN 0.542 nan 8.290 nan 0.000 0.535 407 G N -0.381 108.516 108.800 0.162 0.000 2.164 407 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.212 407 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.212 407 G C 1.012 175.975 174.900 0.104 0.000 1.031 407 G CA 0.457 45.622 45.100 0.108 0.000 0.730 407 G HN 0.948 nan 8.290 nan 0.000 0.501 408 V N -0.703 119.270 119.914 0.098 0.000 2.469 408 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 408 V C 2.799 178.859 176.094 -0.056 0.000 1.064 408 V CA 1.988 64.320 62.300 0.053 0.000 1.066 408 V CB -0.818 30.986 31.823 -0.033 0.000 0.667 408 V HN 0.618 nan 8.190 nan 0.000 0.461 409 I N -0.291 120.233 120.570 -0.076 0.000 2.248 409 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 409 I C 2.742 178.797 176.117 -0.104 0.000 1.107 409 I CA 1.758 62.996 61.300 -0.103 0.000 1.373 409 I CB -0.540 37.415 38.000 -0.075 0.000 1.055 409 I HN 0.344 nan 8.210 nan 0.000 0.418 410 K N -0.253 120.058 120.400 -0.148 0.000 2.078 410 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 410 K C 2.120 178.599 176.600 -0.202 0.000 1.043 410 K CA 0.862 57.022 56.287 -0.212 0.000 0.960 410 K CB -0.467 31.837 32.500 -0.326 0.000 0.761 410 K HN 0.382 nan 8.250 nan 0.000 0.448 411 H N 0.364 119.441 119.070 0.012 0.000 2.353 411 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 411 H C 2.206 177.578 175.328 0.073 0.000 1.090 411 H CA 1.501 57.573 56.048 0.041 0.000 1.327 411 H CB -0.495 29.300 29.762 0.055 0.000 1.383 411 H HN 0.351 nan 8.280 nan 0.000 0.508 412 G N 0.858 109.747 108.800 0.149 0.000 2.446 412 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 412 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 412 G C 2.040 177.037 174.900 0.160 0.000 1.168 412 G CA 1.473 46.665 45.100 0.152 0.000 0.771 412 G HN 0.524 nan 8.290 nan 0.000 0.551 413 A N 0.875 123.739 122.820 0.073 0.000 1.940 413 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 413 A C 2.283 179.965 177.584 0.163 0.000 1.176 413 A CA 2.117 54.215 52.037 0.101 0.000 0.631 413 A CB -0.415 18.617 19.000 0.053 0.000 0.814 413 A HN 0.422 nan 8.150 nan 0.000 0.446 414 K N -0.982 119.498 120.400 0.133 0.000 2.034 414 K HA -0.216 4.104 4.320 -0.000 0.000 0.214 414 K C 1.888 178.602 176.600 0.190 0.000 1.051 414 K CA 1.678 58.045 56.287 0.134 0.000 0.931 414 K CB -0.476 32.083 32.500 0.100 0.000 0.715 414 K HN 0.405 nan 8.250 nan 0.000 0.446 415 L N 1.207 122.554 121.223 0.206 0.000 2.083 415 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 415 L C 2.067 179.117 176.870 0.300 0.000 1.083 415 L CA 1.207 56.181 54.840 0.224 0.000 0.752 415 L CB -0.442 41.773 42.059 0.261 0.000 0.899 415 L HN 0.148 nan 8.230 nan 0.000 0.433 416 L N -1.306 120.085 121.223 0.279 0.000 1.994 416 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 416 L C 2.386 179.384 176.870 0.214 0.000 1.071 416 L CA 2.057 57.043 54.840 0.243 0.000 0.745 416 L CB -1.159 41.005 42.059 0.175 0.000 0.892 416 L HN 0.402 nan 8.230 nan 0.000 0.431 417 Y N 0.248 120.602 120.300 0.091 0.000 2.114 417 Y HA -0.364 4.186 4.550 -0.000 0.000 0.282 417 Y C 2.427 178.355 175.900 0.047 0.000 1.165 417 Y CA 2.374 60.506 58.100 0.053 0.000 1.148 417 Y CB -0.507 37.970 38.460 0.027 0.000 0.972 417 Y HN 0.360 nan 8.280 nan 0.000 0.504 418 A N -0.536 122.449 122.820 0.275 0.000 1.873 418 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 418 A C 1.977 179.569 177.584 0.012 0.000 1.193 418 A CA 2.072 54.175 52.037 0.109 0.000 0.629 418 A CB -1.494 17.488 19.000 -0.029 0.000 0.826 418 A HN 0.647 nan 8.150 nan 0.000 0.447 419 Y N 0.042 120.375 120.300 0.055 0.000 2.242 419 Y HA -0.002 4.548 4.550 -0.000 0.000 0.291 419 Y C 2.770 178.649 175.900 -0.034 0.000 1.137 419 Y CA 0.784 58.895 58.100 0.018 0.000 1.181 419 Y CB -0.842 37.627 38.460 0.015 0.000 0.989 419 Y HN 0.330 nan 8.280 nan 0.000 0.527 420 G N -0.390 108.457 108.800 0.079 0.000 2.418 420 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 420 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 420 G C 1.571 176.405 174.900 -0.110 0.000 1.158 420 G CA 1.096 46.160 45.100 -0.060 0.000 0.771 420 G HN 0.483 nan 8.290 nan 0.000 0.545 421 E N 0.672 120.784 120.200 -0.147 0.000 2.112 421 E HA 0.236 4.586 4.350 -0.000 0.000 0.190 421 E C 1.611 178.191 176.600 -0.033 0.000 0.979 421 E CA 0.289 56.620 56.400 -0.115 0.000 0.814 421 E CB -0.194 29.462 29.700 -0.073 0.000 0.762 421 E HN 0.297 nan 8.360 nan 0.000 0.460 422 A N 0.760 123.580 122.820 -0.000 0.000 2.565 422 A HA 0.032 4.352 4.320 -0.000 0.000 0.237 422 A C 0.803 178.403 177.584 0.028 0.000 1.053 422 A CA 0.912 52.959 52.037 0.016 0.000 0.755 422 A CB 0.109 19.133 19.000 0.039 0.000 0.980 422 A HN 0.429 nan 8.150 nan 0.000 0.506 423 T N -0.449 114.119 114.554 0.022 0.000 3.058 423 T HA 0.350 4.700 4.350 -0.000 0.000 0.278 423 T C 0.542 175.271 174.700 0.048 0.000 0.974 423 T CA 0.415 62.532 62.100 0.028 0.000 0.893 423 T CB -1.320 67.554 68.868 0.010 0.000 1.138 423 T HN 1.283 nan 8.240 nan 0.000 0.529 424 V N -0.759 119.191 119.914 0.061 0.000 3.546 424 V HA 0.521 4.641 4.120 -0.000 0.000 0.296 424 V C -2.875 173.300 176.094 0.135 0.000 1.082 424 V CA -2.242 60.111 62.300 0.087 0.000 1.086 424 V CB -0.366 31.509 31.823 0.087 0.000 1.174 424 V HN -0.033 nan 8.190 nan 0.000 0.464 425 P HA 0.375 nan 4.420 nan 0.000 0.276 425 P C -0.667 176.805 177.300 0.287 0.000 1.243 425 P CA 0.278 63.517 63.100 0.231 0.000 0.768 425 P CB 0.342 32.232 31.700 0.316 0.000 0.856 426 M N 2.872 122.578 119.600 0.178 0.000 2.125 426 M HA 0.394 4.874 4.480 -0.000 0.000 0.321 426 M C -0.828 175.499 176.300 0.045 0.000 0.983 426 M CA -0.829 54.577 55.300 0.176 0.000 0.934 426 M CB 1.839 34.539 32.600 0.168 0.000 1.542 426 M HN -0.025 nan 8.290 nan 0.000 0.424 427 V N 2.192 122.087 119.914 -0.032 0.000 2.581 427 V HA 0.673 4.793 4.120 -0.000 0.000 0.303 427 V C -0.015 176.099 176.094 0.035 0.000 1.041 427 V CA -0.389 61.829 62.300 -0.137 0.000 0.907 427 V CB 2.189 33.642 31.823 -0.617 0.000 0.994 427 V HN 0.870 nan 8.190 nan 0.000 0.442 428 T N 2.948 117.528 114.554 0.044 0.000 2.900 428 T HA 0.697 5.047 4.350 -0.000 0.000 0.295 428 T C -1.037 173.718 174.700 0.092 0.000 1.044 428 T CA -0.457 61.668 62.100 0.042 0.000 0.995 428 T CB 1.948 70.799 68.868 -0.029 0.000 1.072 428 T HN 0.404 nan 8.240 nan 0.000 0.473 429 V N 3.504 123.430 119.914 0.020 0.000 2.524 429 V HA 0.467 4.587 4.120 -0.000 0.000 0.297 429 V C -0.584 175.412 176.094 -0.164 0.000 1.035 429 V CA -0.779 61.493 62.300 -0.047 0.000 0.867 429 V CB 1.545 33.270 31.823 -0.164 0.000 1.004 429 V HN 0.806 nan 8.190 nan 0.000 0.426 430 I N 4.294 124.794 120.570 -0.117 0.000 2.325 430 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 430 I C 1.644 177.642 176.117 -0.198 0.000 1.019 430 I CA -0.070 61.170 61.300 -0.100 0.000 1.302 430 I CB 1.983 39.986 38.000 0.005 0.000 1.401 430 I HN 0.845 nan 8.210 nan 0.000 0.485 431 T N 2.974 117.372 114.554 -0.260 0.000 2.937 431 T HA 0.039 4.389 4.350 -0.000 0.000 0.260 431 T C 1.387 176.176 174.700 0.149 0.000 1.051 431 T CA 0.576 62.526 62.100 -0.250 0.000 1.141 431 T CB 0.369 68.989 68.868 -0.414 0.000 0.879 431 T HN 0.689 nan 8.240 nan 0.000 0.459 432 R N 0.513 121.091 120.500 0.129 0.000 4.185 432 R HA 0.351 4.691 4.340 -0.000 0.000 0.103 432 R C -0.770 175.624 176.300 0.156 0.000 1.154 432 R CA -0.549 55.654 56.100 0.173 0.000 0.855 432 R CB 0.354 30.794 30.300 0.233 0.000 0.964 432 R HN 0.020 nan 8.270 nan 0.000 0.384 433 K N 0.990 121.511 120.400 0.202 0.000 2.322 433 K HA 0.396 4.716 4.320 -0.000 0.000 0.283 433 K C -1.081 175.641 176.600 0.204 0.000 1.042 433 K CA 0.328 56.783 56.287 0.280 0.000 0.958 433 K CB 1.641 34.336 32.500 0.325 0.000 0.984 433 K HN 0.440 nan 8.250 nan 0.000 0.473 434 A N 4.309 127.198 122.820 0.115 0.000 3.156 434 A HA 0.299 4.619 4.320 -0.000 0.000 0.311 434 A C -1.628 175.959 177.584 0.004 0.000 1.129 434 A CA -0.635 51.470 52.037 0.114 0.000 0.809 434 A CB 0.115 19.179 19.000 0.106 0.000 1.257 434 A HN 0.615 nan 8.150 nan 0.000 0.491 435 Y N 0.736 121.105 120.300 0.115 0.000 2.341 435 Y HA 0.546 5.096 4.550 -0.000 0.000 0.337 435 Y C 1.354 177.342 175.900 0.146 0.000 1.014 435 Y CA 0.570 58.731 58.100 0.102 0.000 1.111 435 Y CB 1.648 40.152 38.460 0.073 0.000 1.194 435 Y HN 1.145 nan 8.280 nan 0.000 0.462 436 G N 1.948 110.914 108.800 0.276 0.000 2.582 436 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.300 436 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.300 436 G C 1.366 176.436 174.900 0.283 0.000 1.300 436 G CA 0.243 45.492 45.100 0.249 0.000 0.959 436 G HN 1.205 nan 8.290 nan 0.000 0.548 437 G N -0.269 108.676 108.800 0.242 0.000 2.606 437 G HA2 0.031 3.991 3.960 -0.000 0.000 0.221 437 G HA3 0.031 3.991 3.960 -0.000 0.000 0.221 437 G C 2.229 177.302 174.900 0.288 0.000 1.152 437 G CA 3.571 48.825 45.100 0.256 0.000 0.765 437 G HN 2.027 nan 8.290 nan 0.000 0.595 438 A N 0.139 123.126 122.820 0.278 0.000 1.908 438 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 438 A C 2.207 179.809 177.584 0.031 0.000 1.181 438 A CA 1.973 54.024 52.037 0.023 0.000 0.627 438 A CB -0.814 18.052 19.000 -0.225 0.000 0.818 438 A HN 0.699 nan 8.150 nan 0.000 0.445 439 Y N 1.125 121.449 120.300 0.039 0.000 2.102 439 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 439 Y C 2.152 178.061 175.900 0.016 0.000 1.178 439 Y CA 2.181 60.293 58.100 0.021 0.000 1.146 439 Y CB -0.776 37.704 38.460 0.034 0.000 0.968 439 Y HN 0.059 nan 8.280 nan 0.000 0.504 440 V N -0.452 119.207 119.914 -0.425 0.000 2.295 440 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 440 V C 2.506 178.421 176.094 -0.298 0.000 1.049 440 V CA 1.807 63.835 62.300 -0.453 0.000 1.024 440 V CB -1.139 30.617 31.823 -0.112 0.000 0.648 440 V HN 0.402 nan 8.190 nan 0.000 0.447 441 V N -0.658 119.185 119.914 -0.118 0.000 2.343 441 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 441 V C 1.578 177.551 176.094 -0.203 0.000 1.051 441 V CA 1.147 63.421 62.300 -0.044 0.000 1.036 441 V CB -0.563 31.340 31.823 0.133 0.000 0.654 441 V HN 0.451 nan 8.190 nan 0.000 0.451 442 M N 0.927 120.366 119.600 -0.268 0.000 3.282 442 M HA 0.114 4.594 4.480 -0.000 0.000 0.242 442 M C 1.064 176.996 176.300 -0.613 0.000 1.568 442 M CA 0.406 55.476 55.300 -0.383 0.000 1.668 442 M CB -1.404 31.074 32.600 -0.203 0.000 1.236 442 M HN 0.421 nan 8.290 nan 0.000 0.527 443 S N 1.456 116.482 115.700 -1.123 0.000 3.410 443 S HA -0.133 4.337 4.470 -0.000 0.000 0.369 443 S C 0.687 175.023 174.600 -0.439 0.000 0.961 443 S CA 0.487 58.174 58.200 -0.855 0.000 1.248 443 S CB -0.619 62.159 63.200 -0.704 0.000 0.914 443 S HN 0.866 nan 8.310 nan 0.000 0.497 444 S N 0.566 116.003 115.700 -0.437 0.000 2.606 444 S HA 0.312 4.782 4.470 -0.000 0.000 0.257 444 S C 0.891 175.265 174.600 -0.377 0.000 1.327 444 S CA 0.120 58.055 58.200 -0.441 0.000 0.984 444 S CB 0.789 63.660 63.200 -0.549 0.000 0.941 444 S HN 0.643 nan 8.310 nan 0.000 0.576 445 K N -0.385 119.703 120.400 -0.520 0.000 2.432 445 K HA -0.025 4.295 4.320 -0.000 0.000 0.196 445 K C 1.389 177.645 176.600 -0.573 0.000 1.038 445 K CA 0.742 56.720 56.287 -0.516 0.000 0.986 445 K CB -0.239 31.975 32.500 -0.477 0.000 0.782 445 K HN 0.720 nan 8.250 nan 0.000 0.485 446 H N -0.059 118.859 119.070 -0.253 0.000 2.547 446 H HA -0.003 4.553 4.556 0.000 0.000 0.272 446 H C 1.171 176.403 175.328 -0.159 0.000 0.989 446 H CA 0.705 56.619 56.048 -0.223 0.000 1.214 446 H CB 0.267 29.878 29.762 -0.253 0.000 1.389 446 H HN 0.214 nan 8.280 nan 0.000 0.577 447 L N 0.137 121.299 121.223 -0.101 0.000 2.628 447 L HA 0.154 4.494 4.340 -0.000 0.000 0.229 447 L C 0.324 177.158 176.870 -0.061 0.000 1.137 447 L CA -0.028 54.772 54.840 -0.067 0.000 0.909 447 L CB 0.202 42.221 42.059 -0.066 0.000 1.137 447 L HN 0.041 nan 8.230 nan 0.000 0.470 448 R N -0.403 120.039 120.500 -0.097 0.000 3.654 448 R HA -0.136 4.204 4.340 -0.000 0.000 0.302 448 R C 0.343 176.605 176.300 -0.063 0.000 1.166 448 R CA 0.563 56.614 56.100 -0.080 0.000 0.810 448 R CB -2.002 28.269 30.300 -0.048 0.000 1.323 448 R HN 0.394 nan 8.270 nan 0.000 0.478 449 A N 0.162 122.929 122.820 -0.089 0.000 2.406 449 A HA 0.190 4.510 4.320 -0.000 0.000 0.243 449 A C 1.061 178.603 177.584 -0.070 0.000 1.082 449 A CA 0.178 52.184 52.037 -0.053 0.000 0.786 449 A CB 0.308 19.257 19.000 -0.084 0.000 1.029 449 A HN 0.269 nan 8.150 nan 0.000 0.495 450 D N -0.216 120.176 120.400 -0.013 0.000 2.146 450 D HA 0.054 4.694 4.640 -0.000 0.000 0.209 450 D C -0.451 175.735 176.300 -0.190 0.000 0.973 450 D CA 1.489 55.470 54.000 -0.031 0.000 0.860 450 D CB -0.047 40.849 40.800 0.160 0.000 1.015 450 D HN 0.439 nan 8.370 nan 0.000 0.465 451 F N 1.074 120.872 119.950 -0.253 0.000 2.427 451 F HA 0.331 4.858 4.527 0.000 0.000 0.348 451 F C -0.288 175.274 175.800 -0.397 0.000 1.125 451 F CA -0.895 56.860 58.000 -0.409 0.000 0.989 451 F CB 1.053 39.721 39.000 -0.553 0.000 1.165 451 F HN -0.346 nan 8.300 nan 0.000 0.442 452 N N 3.556 122.091 118.700 -0.275 0.000 2.816 452 N HA 0.252 4.992 4.740 -0.000 0.000 0.236 452 N C -1.253 174.174 175.510 -0.140 0.000 1.076 452 N CA -0.474 52.481 53.050 -0.157 0.000 0.902 452 N CB 0.491 38.914 38.487 -0.107 0.000 1.149 452 N HN 0.473 nan 8.380 nan 0.000 0.506 453 Y N 0.975 121.309 120.300 0.056 0.000 2.307 453 Y HA 0.616 5.166 4.550 0.000 0.000 0.324 453 Y C 0.615 176.530 175.900 0.025 0.000 1.238 453 Y CA -0.843 57.293 58.100 0.061 0.000 1.280 453 Y CB 1.166 39.668 38.460 0.070 0.000 1.248 453 Y HN 0.326 nan 8.280 nan 0.000 0.508 454 A N 1.979 124.955 122.820 0.261 0.000 2.486 454 A HA 0.531 4.851 4.320 -0.000 0.000 0.300 454 A C -1.891 175.855 177.584 0.270 0.000 1.048 454 A CA -0.735 51.393 52.037 0.151 0.000 0.696 454 A CB 0.725 19.751 19.000 0.043 0.000 1.278 454 A HN 0.670 nan 8.150 nan 0.000 0.405 455 W N 1.730 123.025 121.300 -0.007 0.000 2.283 455 W HA 0.471 5.131 4.660 -0.000 0.000 0.341 455 W C -1.933 174.548 176.519 -0.063 0.000 1.206 455 W CA -1.758 55.572 57.345 -0.026 0.000 1.294 455 W CB 0.393 29.838 29.460 -0.024 0.000 1.154 455 W HN 0.522 nan 8.180 nan 0.000 0.613 456 P HA -0.146 nan 4.420 nan 0.000 0.218 456 P C 1.298 178.624 177.300 0.043 0.000 1.149 456 P CA 2.337 65.455 63.100 0.029 0.000 0.817 456 P CB -0.108 31.621 31.700 0.048 0.000 0.785 457 T N -3.256 111.356 114.554 0.097 0.000 3.163 457 T HA 0.247 4.597 4.350 -0.000 0.000 0.260 457 T C 0.932 175.699 174.700 0.112 0.000 1.156 457 T CA 0.050 62.213 62.100 0.105 0.000 1.072 457 T CB -0.899 68.042 68.868 0.121 0.000 0.937 457 T HN 0.070 nan 8.240 nan 0.000 0.528 458 A N 1.534 124.405 122.820 0.084 0.000 2.445 458 A HA 0.456 4.776 4.320 -0.000 0.000 0.242 458 A C 0.181 177.756 177.584 -0.015 0.000 1.075 458 A CA -0.529 51.532 52.037 0.040 0.000 0.777 458 A CB 0.239 19.240 19.000 0.003 0.000 1.013 458 A HN 0.593 nan 8.150 nan 0.000 0.493 459 E N 0.848 121.027 120.200 -0.035 0.000 2.409 459 E HA 0.396 4.746 4.350 -0.000 0.000 0.259 459 E C -1.191 175.200 176.600 -0.349 0.000 0.932 459 E CA -0.568 55.763 56.400 -0.115 0.000 0.809 459 E CB 1.699 31.411 29.700 0.020 0.000 1.341 459 E HN 0.594 nan 8.360 nan 0.000 0.405 460 V N 0.059 119.775 119.914 -0.331 0.000 2.384 460 V HA 0.988 5.108 4.120 -0.000 0.000 0.287 460 V C -0.344 175.495 176.094 -0.424 0.000 1.020 460 V CA -0.281 61.745 62.300 -0.457 0.000 0.850 460 V CB 0.994 32.565 31.823 -0.421 0.000 0.987 460 V HN 0.710 nan 8.190 nan 0.000 0.436 461 A N 3.786 126.302 122.820 -0.507 0.000 2.601 461 A HA 0.682 5.002 4.320 -0.000 0.000 0.291 461 A C 0.472 178.035 177.584 -0.035 0.000 1.075 461 A CA -0.017 51.899 52.037 -0.201 0.000 0.671 461 A CB 1.169 20.160 19.000 -0.015 0.000 1.277 461 A HN 1.582 nan 8.150 nan 0.000 0.417 462 V N -0.215 119.735 119.914 0.060 0.000 2.370 462 V HA -0.072 4.048 4.120 -0.000 0.000 0.252 462 V C 1.090 177.282 176.094 0.164 0.000 1.068 462 V CA 2.721 65.076 62.300 0.090 0.000 1.061 462 V CB -1.762 30.092 31.823 0.052 0.000 0.656 462 V HN 1.291 nan 8.190 nan 0.000 0.455 463 M N -1.898 117.852 119.600 0.250 0.000 3.493 463 M HA 0.606 5.086 4.480 -0.000 0.000 0.300 463 M C -0.193 176.303 176.300 0.326 0.000 1.288 463 M CA -0.257 55.204 55.300 0.269 0.000 0.867 463 M CB 1.203 33.842 32.600 0.065 0.000 1.735 463 M HN 0.041 nan 8.290 nan 0.000 0.518 464 G N 0.292 109.104 108.800 0.021 0.000 2.544 464 G HA2 0.465 4.425 3.960 -0.000 0.000 0.242 464 G HA3 0.465 4.425 3.960 -0.000 0.000 0.242 464 G C 0.821 175.724 174.900 0.005 0.000 1.247 464 G CA -0.006 45.079 45.100 -0.026 0.000 0.840 464 G HN 1.102 nan 8.290 nan 0.000 0.578 465 A N 1.808 124.704 122.820 0.127 0.000 1.903 465 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 465 A C 2.529 180.070 177.584 -0.072 0.000 1.191 465 A CA 2.028 54.114 52.037 0.083 0.000 0.638 465 A CB -0.393 18.779 19.000 0.287 0.000 0.823 465 A HN 0.576 nan 8.150 nan 0.000 0.451 466 K N -1.055 119.335 120.400 -0.018 0.000 1.971 466 K HA -0.170 4.150 4.320 -0.000 0.000 0.221 466 K C 2.228 178.790 176.600 -0.062 0.000 1.050 466 K CA 1.638 57.910 56.287 -0.025 0.000 0.967 466 K CB -1.397 31.094 32.500 -0.016 0.000 0.733 466 K HN 0.480 nan 8.250 nan 0.000 0.445 467 G N 1.084 109.839 108.800 -0.075 0.000 2.469 467 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 467 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 467 G C 1.721 176.549 174.900 -0.120 0.000 1.150 467 G CA 1.728 46.782 45.100 -0.076 0.000 0.763 467 G HN 0.430 nan 8.290 nan 0.000 0.561 468 A N 0.450 123.134 122.820 -0.226 0.000 1.873 468 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 468 A C 2.557 179.986 177.584 -0.259 0.000 1.193 468 A CA 2.772 54.578 52.037 -0.385 0.000 0.629 468 A CB -1.247 17.148 19.000 -1.008 0.000 0.826 468 A HN 0.328 nan 8.150 nan 0.000 0.447 469 T N 0.342 114.776 114.554 -0.199 0.000 2.684 469 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 469 T C 1.686 176.419 174.700 0.056 0.000 1.036 469 T CA 1.748 63.856 62.100 0.014 0.000 1.148 469 T CB -0.460 68.439 68.868 0.051 0.000 0.863 469 T HN 0.698 nan 8.240 nan 0.000 0.436 470 E N 0.548 120.754 120.200 0.010 0.000 2.209 470 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 470 E C 2.116 178.720 176.600 0.006 0.000 0.993 470 E CA 0.897 57.309 56.400 0.021 0.000 0.819 470 E CB -0.337 29.365 29.700 0.003 0.000 0.745 470 E HN 0.540 nan 8.360 nan 0.000 0.477 471 I N 0.652 121.209 120.570 -0.023 0.000 2.339 471 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 471 I C 2.346 178.431 176.117 -0.052 0.000 1.096 471 I CA 0.780 62.058 61.300 -0.036 0.000 1.408 471 I CB -0.131 37.838 38.000 -0.052 0.000 1.092 471 I HN 0.040 nan 8.210 nan 0.000 0.423 472 I N -0.034 120.499 120.570 -0.061 0.000 2.394 472 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 472 I C 0.382 176.297 176.117 -0.337 0.000 1.136 472 I CA 1.246 62.451 61.300 -0.158 0.000 1.425 472 I CB -0.366 37.568 38.000 -0.110 0.000 1.079 472 I HN 0.262 nan 8.210 nan 0.000 0.425 473 H N 0.349 119.358 119.070 -0.101 0.000 2.530 473 H HA 0.316 4.872 4.556 -0.000 0.000 0.246 473 H C 0.702 176.003 175.328 -0.046 0.000 1.346 473 H CA -0.494 55.478 56.048 -0.126 0.000 1.424 473 H CB 0.470 30.052 29.762 -0.300 0.000 1.445 473 H HN -0.106 nan 8.280 nan 0.000 0.511 474 R N 1.555 122.074 120.500 0.032 0.000 2.060 474 R HA 0.037 4.377 4.340 -0.000 0.000 0.225 474 R C 1.107 177.440 176.300 0.056 0.000 1.155 474 R CA 0.914 57.034 56.100 0.034 0.000 0.930 474 R CB -0.747 29.557 30.300 0.006 0.000 0.829 474 R HN 0.609 nan 8.270 nan 0.000 0.433 475 G N 2.871 111.699 108.800 0.048 0.000 2.469 475 G HA2 0.206 4.166 3.960 -0.000 0.000 0.293 475 G HA3 0.206 4.166 3.960 -0.000 0.000 0.293 475 G C -1.637 173.322 174.900 0.098 0.000 0.982 475 G CA -0.600 44.535 45.100 0.058 0.000 1.401 475 G HN 0.266 nan 8.290 nan 0.000 0.453 476 P HA 0.156 nan 4.420 nan 0.000 0.255 476 P C 1.300 178.590 177.300 -0.016 0.000 1.248 476 P CA 0.468 63.568 63.100 -0.000 0.000 0.807 476 P CB 0.849 32.550 31.700 0.002 0.000 1.150 477 E N -0.913 119.267 120.200 -0.033 0.000 2.372 477 E HA 0.037 4.388 4.350 -0.000 0.000 0.201 477 E C 1.518 178.050 176.600 -0.114 0.000 0.938 477 E CA 0.182 56.549 56.400 -0.056 0.000 0.944 477 E CB 0.288 29.960 29.700 -0.047 0.000 0.937 477 E HN 0.103 nan 8.360 nan 0.000 0.495 478 K N 1.126 121.448 120.400 -0.130 0.000 1.984 478 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 478 K C 2.315 178.700 176.600 -0.358 0.000 1.046 478 K CA 1.152 57.257 56.287 -0.303 0.000 0.934 478 K CB -0.389 32.033 32.500 -0.129 0.000 0.717 478 K HN 0.161 nan 8.250 nan 0.000 0.438 479 I N -0.634 119.906 120.570 -0.050 0.000 2.454 479 I HA -0.078 4.092 4.170 -0.000 0.000 0.254 479 I C 2.137 178.259 176.117 0.008 0.000 1.156 479 I CA 1.364 62.701 61.300 0.061 0.000 1.433 479 I CB -0.929 37.121 38.000 0.083 0.000 1.082 479 I HN -0.061 nan 8.210 nan 0.000 0.432 480 A N -0.021 122.779 122.820 -0.033 0.000 2.014 480 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 480 A C 2.307 179.871 177.584 -0.033 0.000 1.163 480 A CA 1.622 53.648 52.037 -0.019 0.000 0.652 480 A CB -0.546 18.440 19.000 -0.024 0.000 0.808 480 A HN 0.509 nan 8.150 nan 0.000 0.449 481 Q N -0.690 119.048 119.800 -0.102 0.000 2.204 481 Q HA 0.005 4.345 4.340 -0.000 0.000 0.198 481 Q C 1.591 177.548 176.000 -0.072 0.000 0.946 481 Q CA 1.576 57.311 55.803 -0.113 0.000 0.859 481 Q CB -0.519 28.104 28.738 -0.192 0.000 0.946 481 Q HN 0.825 nan 8.270 nan 0.000 0.474 482 H N -1.402 117.622 119.070 -0.076 0.000 2.387 482 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 482 H C 1.514 176.849 175.328 0.013 0.000 1.090 482 H CA 1.583 57.551 56.048 -0.134 0.000 1.332 482 H CB 0.408 29.956 29.762 -0.357 0.000 1.386 482 H HN 0.226 nan 8.280 nan 0.000 0.516 483 T N 0.048 114.692 114.554 0.150 0.000 2.770 483 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 483 T C 2.333 177.130 174.700 0.162 0.000 1.039 483 T CA 0.880 63.074 62.100 0.156 0.000 1.142 483 T CB -0.393 68.532 68.868 0.095 0.000 0.868 483 T HN 0.453 nan 8.240 nan 0.000 0.435 484 A N 1.852 124.730 122.820 0.097 0.000 2.084 484 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 484 A C 1.973 179.609 177.584 0.086 0.000 1.161 484 A CA 1.661 53.745 52.037 0.077 0.000 0.653 484 A CB -0.467 18.554 19.000 0.035 0.000 0.802 484 A HN 0.417 nan 8.150 nan 0.000 0.457 485 D N -2.132 118.336 120.400 0.114 0.000 2.197 485 D HA -0.053 4.587 4.640 -0.000 0.000 0.212 485 D C 1.693 178.065 176.300 0.122 0.000 0.963 485 D CA 1.004 55.059 54.000 0.091 0.000 0.864 485 D CB -0.482 40.381 40.800 0.105 0.000 1.009 485 D HN 0.515 nan 8.370 nan 0.000 0.479 486 Y N 2.088 122.492 120.300 0.174 0.000 2.114 486 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 486 Y C 2.407 178.450 175.900 0.238 0.000 1.165 486 Y CA 1.907 60.202 58.100 0.325 0.000 1.148 486 Y CB 0.042 38.685 38.460 0.305 0.000 0.972 486 Y HN -0.138 nan 8.280 nan 0.000 0.504 487 E N 0.459 120.861 120.200 0.336 0.000 2.023 487 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 487 E C 1.969 178.632 176.600 0.105 0.000 1.003 487 E CA 1.967 58.508 56.400 0.235 0.000 0.809 487 E CB -0.277 29.528 29.700 0.175 0.000 0.755 487 E HN 0.390 nan 8.360 nan 0.000 0.449 488 E N -0.440 119.785 120.200 0.041 0.000 2.204 488 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 488 E C 1.973 178.492 176.600 -0.135 0.000 0.990 488 E CA 0.978 57.361 56.400 -0.027 0.000 0.821 488 E CB -0.096 29.588 29.700 -0.028 0.000 0.750 488 E HN 0.163 nan 8.360 nan 0.000 0.477 489 R N -1.705 118.621 120.500 -0.290 0.000 2.225 489 R HA 0.122 4.462 4.340 -0.000 0.000 0.194 489 R C 0.763 176.500 176.300 -0.938 0.000 0.957 489 R CA 0.444 56.145 56.100 -0.665 0.000 1.042 489 R CB 0.255 29.984 30.300 -0.951 0.000 1.004 489 R HN 0.111 nan 8.270 nan 0.000 0.509 490 F N -0.654 119.183 119.950 -0.188 0.000 2.747 490 F HA 0.445 4.972 4.527 -0.000 0.000 0.305 490 F C 0.684 176.449 175.800 -0.058 0.000 1.065 490 F CA -0.378 57.501 58.000 -0.201 0.000 1.230 490 F CB 0.243 38.929 39.000 -0.523 0.000 1.027 490 F HN -0.106 nan 8.300 nan 0.000 0.607 491 A N 2.954 125.884 122.820 0.183 0.000 2.797 491 A HA 0.479 4.799 4.320 -0.000 0.000 0.296 491 A C 0.021 177.654 177.584 0.081 0.000 1.580 491 A CA 0.076 52.209 52.037 0.160 0.000 1.277 491 A CB -1.363 17.794 19.000 0.262 0.000 1.101 491 A HN 0.512 nan 8.150 nan 0.000 0.562 492 N N 1.541 120.250 118.700 0.015 0.000 3.405 492 N HA 0.247 4.987 4.740 -0.000 0.000 0.292 492 N C -3.281 172.156 175.510 -0.122 0.000 1.456 492 N CA -0.782 52.258 53.050 -0.017 0.000 0.861 492 N CB 0.812 39.346 38.487 0.078 0.000 1.643 492 N HN 0.068 nan 8.380 nan 0.000 0.474 493 P HA 0.283 nan 4.420 nan 0.000 0.272 493 P C 0.600 177.673 177.300 -0.378 0.000 1.276 493 P CA 0.203 63.088 63.100 -0.357 0.000 0.871 493 P CB 0.059 31.493 31.700 -0.445 0.000 1.313 494 F N 0.187 120.125 119.950 -0.021 0.000 2.325 494 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 494 F C 2.482 178.248 175.800 -0.056 0.000 1.090 494 F CA 0.772 58.751 58.000 -0.036 0.000 1.392 494 F CB -1.378 37.597 39.000 -0.041 0.000 1.053 494 F HN -0.192 nan 8.300 nan 0.000 0.521 495 V N -0.045 119.920 119.914 0.086 0.000 2.548 495 V HA -0.102 4.018 4.120 -0.000 0.000 0.249 495 V C 2.247 178.302 176.094 -0.065 0.000 1.055 495 V CA 1.741 64.061 62.300 0.034 0.000 1.065 495 V CB -0.484 31.396 31.823 0.096 0.000 0.681 495 V HN 0.223 nan 8.190 nan 0.000 0.462 496 A N -0.805 121.966 122.820 -0.082 0.000 2.014 496 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 496 A C 2.393 179.887 177.584 -0.150 0.000 1.163 496 A CA 1.819 53.773 52.037 -0.138 0.000 0.652 496 A CB -0.530 18.444 19.000 -0.043 0.000 0.808 496 A HN 0.580 nan 8.150 nan 0.000 0.449 497 S N -0.212 115.450 115.700 -0.064 0.000 2.371 497 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 497 S C 1.773 176.347 174.600 -0.043 0.000 1.029 497 S CA 1.248 59.439 58.200 -0.014 0.000 0.978 497 S CB -0.246 63.015 63.200 0.102 0.000 0.833 497 S HN 0.706 nan 8.310 nan 0.000 0.466 498 E N 0.699 120.873 120.200 -0.043 0.000 2.160 498 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 498 E C 2.097 178.610 176.600 -0.146 0.000 0.991 498 E CA 0.645 57.007 56.400 -0.064 0.000 0.810 498 E CB 0.008 29.679 29.700 -0.048 0.000 0.742 498 E HN 0.112 nan 8.360 nan 0.000 0.466 499 R N -0.865 119.456 120.500 -0.298 0.000 2.193 499 R HA 0.008 4.348 4.340 -0.000 0.000 0.213 499 R C 1.575 177.637 176.300 -0.396 0.000 1.055 499 R CA 0.968 56.756 56.100 -0.520 0.000 0.995 499 R CB 0.278 29.853 30.300 -1.208 0.000 0.893 499 R HN 0.387 nan 8.270 nan 0.000 0.459 500 G N -0.264 108.402 108.800 -0.222 0.000 2.195 500 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.224 500 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.224 500 G C 0.909 175.905 174.900 0.160 0.000 0.990 500 G CA 0.097 45.187 45.100 -0.017 0.000 0.639 500 G HN 0.401 nan 8.290 nan 0.000 0.514 501 F N 0.241 120.181 119.950 -0.016 0.000 2.451 501 F HA 0.231 4.758 4.527 -0.000 0.000 0.299 501 F C 1.073 176.842 175.800 -0.052 0.000 1.101 501 F CA 0.475 58.452 58.000 -0.038 0.000 1.436 501 F CB 0.272 39.314 39.000 0.070 0.000 1.074 501 F HN 0.064 nan 8.300 nan 0.000 0.553 502 V N 1.146 121.132 119.914 0.121 0.000 2.376 502 V HA 0.045 4.165 4.120 -0.000 0.000 0.287 502 V C 0.286 176.376 176.094 -0.006 0.000 1.015 502 V CA -0.843 61.481 62.300 0.040 0.000 0.834 502 V CB 1.359 33.198 31.823 0.025 0.000 1.001 502 V HN 0.117 nan 8.190 nan 0.000 0.428 503 D N 3.200 123.553 120.400 -0.078 0.000 2.182 503 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 503 D C 0.703 176.989 176.300 -0.024 0.000 0.986 503 D CA 1.388 55.317 54.000 -0.118 0.000 0.847 503 D CB 0.805 41.425 40.800 -0.300 0.000 0.942 503 D HN 0.706 nan 8.370 nan 0.000 0.467 504 E N -1.026 119.203 120.200 0.048 0.000 2.396 504 E HA 0.236 4.586 4.350 -0.000 0.000 0.280 504 E C -2.006 174.720 176.600 0.210 0.000 1.065 504 E CA -0.527 55.970 56.400 0.162 0.000 0.831 504 E CB 1.580 31.437 29.700 0.260 0.000 1.272 504 E HN -0.279 nan 8.360 nan 0.000 0.443 505 V N 4.412 124.428 119.914 0.169 0.000 2.370 505 V HA 0.539 4.659 4.120 -0.000 0.000 0.283 505 V C 0.149 176.342 176.094 0.166 0.000 1.023 505 V CA -0.472 61.907 62.300 0.131 0.000 0.857 505 V CB 0.617 32.459 31.823 0.032 0.000 0.985 505 V HN 0.624 nan 8.190 nan 0.000 0.443 506 I N 1.640 122.320 120.570 0.184 0.000 2.846 506 I HA 0.711 4.881 4.170 -0.000 0.000 0.307 506 I C -0.452 175.696 176.117 0.052 0.000 1.053 506 I CA -1.210 60.161 61.300 0.119 0.000 1.050 506 I CB 2.005 40.047 38.000 0.069 0.000 1.239 506 I HN 0.380 nan 8.210 nan 0.000 0.439 507 Q N 4.431 124.217 119.800 -0.023 0.000 2.286 507 Q HA 0.290 4.630 4.340 -0.000 0.000 0.267 507 Q C -1.992 173.874 176.000 -0.224 0.000 1.028 507 Q CA -1.515 54.212 55.803 -0.127 0.000 0.901 507 Q CB 1.289 29.979 28.738 -0.081 0.000 1.183 507 Q HN 0.415 nan 8.270 nan 0.000 0.392 508 P HA -0.320 nan 4.420 nan 0.000 0.217 508 P C 0.591 177.744 177.300 -0.246 0.000 1.158 508 P CA 1.832 64.414 63.100 -0.864 0.000 0.887 508 P CB 0.051 30.858 31.700 -1.488 0.000 0.792 509 R N -0.040 120.339 120.500 -0.202 0.000 2.127 509 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 509 R C 1.868 178.159 176.300 -0.014 0.000 1.134 509 R CA 2.323 58.376 56.100 -0.079 0.000 0.975 509 R CB -1.784 28.469 30.300 -0.079 0.000 0.865 509 R HN 0.285 nan 8.270 nan 0.000 0.447 510 S N -0.181 115.507 115.700 -0.020 0.000 2.558 510 S HA 0.011 4.481 4.470 -0.000 0.000 0.217 510 S C 1.504 176.105 174.600 0.001 0.000 0.975 510 S CA 0.557 58.754 58.200 -0.006 0.000 0.912 510 S CB 0.015 63.202 63.200 -0.022 0.000 0.776 510 S HN 0.304 nan 8.310 nan 0.000 0.526 511 T N 3.101 117.692 114.554 0.062 0.000 2.594 511 T HA -0.288 4.062 4.350 -0.000 0.000 0.266 511 T C 1.794 176.502 174.700 0.013 0.000 1.070 511 T CA 2.327 64.463 62.100 0.061 0.000 1.166 511 T CB -0.517 68.495 68.868 0.239 0.000 0.862 511 T HN 0.657 nan 8.240 nan 0.000 0.436 512 R N 1.503 122.039 120.500 0.059 0.000 2.112 512 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 512 R C 2.282 178.605 176.300 0.037 0.000 1.137 512 R CA 2.355 58.491 56.100 0.061 0.000 0.944 512 R CB -0.473 29.872 30.300 0.075 0.000 0.857 512 R HN 0.431 nan 8.270 nan 0.000 0.435 513 K N -0.581 119.833 120.400 0.023 0.000 2.032 513 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 513 K C 2.154 178.743 176.600 -0.018 0.000 1.048 513 K CA 1.518 57.814 56.287 0.015 0.000 0.927 513 K CB -0.087 32.421 32.500 0.014 0.000 0.712 513 K HN 0.067 nan 8.250 nan 0.000 0.441 514 R N 0.592 121.039 120.500 -0.088 0.000 2.082 514 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 514 R C 2.375 178.588 176.300 -0.145 0.000 1.136 514 R CA 1.229 57.215 56.100 -0.190 0.000 0.935 514 R CB -1.217 28.741 30.300 -0.570 0.000 0.842 514 R HN 0.155 nan 8.270 nan 0.000 0.430 515 V N 1.192 121.031 119.914 -0.125 0.000 2.343 515 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 515 V C 2.489 178.612 176.094 0.049 0.000 1.051 515 V CA 1.860 64.141 62.300 -0.031 0.000 1.036 515 V CB -0.908 30.959 31.823 0.073 0.000 0.654 515 V HN 0.380 nan 8.190 nan 0.000 0.451 516 A N 1.178 124.050 122.820 0.087 0.000 1.865 516 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 516 A C 2.379 180.007 177.584 0.073 0.000 1.191 516 A CA 2.357 54.464 52.037 0.116 0.000 0.623 516 A CB -0.594 18.449 19.000 0.071 0.000 0.826 516 A HN 0.678 nan 8.150 nan 0.000 0.444 517 R N -0.554 119.954 120.500 0.014 0.000 2.115 517 R HA 0.173 4.513 4.340 -0.000 0.000 0.226 517 R C 2.122 178.364 176.300 -0.097 0.000 1.100 517 R CA 1.327 57.426 56.100 -0.002 0.000 0.980 517 R CB -0.571 29.741 30.300 0.021 0.000 0.875 517 R HN 0.309 nan 8.270 nan 0.000 0.445 518 A N 1.204 123.858 122.820 -0.276 0.000 1.883 518 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 518 A C 1.968 179.202 177.584 -0.582 0.000 1.186 518 A CA 1.269 52.813 52.037 -0.821 0.000 0.624 518 A CB -0.809 17.407 19.000 -1.305 0.000 0.822 518 A HN 0.420 nan 8.150 nan 0.000 0.444 519 F N -0.053 119.754 119.950 -0.238 0.000 2.186 519 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 519 F C 2.797 178.560 175.800 -0.062 0.000 1.090 519 F CA 0.770 58.703 58.000 -0.111 0.000 1.307 519 F CB -0.164 38.799 39.000 -0.061 0.000 1.019 519 F HN 0.286 nan 8.300 nan 0.000 0.489 520 A N -0.071 122.824 122.820 0.125 0.000 1.892 520 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 520 A C 2.249 179.876 177.584 0.071 0.000 1.188 520 A CA 2.249 54.334 52.037 0.081 0.000 0.631 520 A CB -1.259 17.774 19.000 0.055 0.000 0.822 520 A HN 0.404 nan 8.150 nan 0.000 0.447 521 S N -0.992 114.741 115.700 0.056 0.000 2.555 521 S HA 0.141 4.611 4.470 -0.000 0.000 0.230 521 S C 1.285 175.948 174.600 0.105 0.000 0.978 521 S CA 0.967 59.217 58.200 0.083 0.000 0.934 521 S CB -0.345 62.924 63.200 0.115 0.000 0.766 521 S HN 0.415 nan 8.310 nan 0.000 0.533 522 L N 0.151 121.438 121.223 0.106 0.000 2.640 522 L HA 0.372 4.712 4.340 -0.000 0.000 0.230 522 L C 2.329 179.272 176.870 0.122 0.000 1.123 522 L CA -0.210 54.708 54.840 0.130 0.000 0.900 522 L CB -0.014 42.134 42.059 0.147 0.000 1.146 522 L HN 0.176 nan 8.230 nan 0.000 0.484 523 R N 0.126 120.689 120.500 0.105 0.000 2.200 523 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 523 R C 1.368 177.708 176.300 0.066 0.000 1.127 523 R CA 1.241 57.391 56.100 0.083 0.000 0.989 523 R CB -0.222 30.114 30.300 0.061 0.000 0.869 523 R HN 0.262 nan 8.270 nan 0.000 0.459 524 N N 0.680 119.420 118.700 0.066 0.000 2.280 524 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 524 N C -0.261 175.281 175.510 0.054 0.000 1.109 524 N CA -0.047 53.035 53.050 0.053 0.000 0.855 524 N CB 0.333 38.848 38.487 0.047 0.000 0.974 524 N HN -0.030 nan 8.380 nan 0.000 0.482 525 K N 0.394 120.834 120.400 0.067 0.000 2.586 525 K HA -0.040 4.280 4.320 -0.000 0.000 0.280 525 K C -0.841 175.788 176.600 0.048 0.000 0.972 525 K CA 0.633 56.958 56.287 0.063 0.000 1.040 525 K CB 0.146 32.694 32.500 0.081 0.000 0.870 525 K HN -0.021 nan 8.250 nan 0.000 0.497 526 S N 3.428 119.151 115.700 0.038 0.000 2.706 526 S HA 0.374 4.844 4.470 -0.000 0.000 0.270 526 S C -1.665 172.949 174.600 0.023 0.000 1.163 526 S CA -0.844 57.374 58.200 0.029 0.000 1.042 526 S CB 1.000 64.216 63.200 0.026 0.000 1.079 526 S HN 0.334 nan 8.310 nan 0.000 0.474 527 V N 5.119 125.045 119.914 0.021 0.000 2.735 527 V HA 0.628 4.748 4.120 -0.000 0.000 0.310 527 V C -1.130 174.971 176.094 0.012 0.000 1.061 527 V CA -0.802 61.507 62.300 0.015 0.000 0.913 527 V CB 2.197 34.028 31.823 0.014 0.000 1.005 527 V HN 0.783 nan 8.190 nan 0.000 0.428 528 Q N 4.190 123.996 119.800 0.011 0.000 2.325 528 Q HA 0.584 4.924 4.340 -0.000 0.000 0.262 528 Q C -0.650 175.353 176.000 0.006 0.000 0.968 528 Q CA -0.547 55.264 55.803 0.014 0.000 0.877 528 Q CB 1.826 30.578 28.738 0.024 0.000 1.253 528 Q HN 0.533 nan 8.270 nan 0.000 0.448 529 M N 2.487 122.086 119.600 -0.001 0.000 2.288 529 M HA 0.417 4.897 4.480 -0.000 0.000 0.334 529 M C -1.884 174.415 176.300 -0.002 0.000 1.150 529 M CA -1.810 53.480 55.300 -0.017 0.000 1.118 529 M CB 0.067 32.645 32.600 -0.037 0.000 1.501 529 M HN 0.278 nan 8.290 nan 0.000 0.462 530 P HA -0.039 nan 4.420 nan 0.000 0.267 530 P C -0.959 176.343 177.300 0.004 0.000 1.200 530 P CA -0.152 62.959 63.100 0.018 0.000 0.772 530 P CB 0.336 32.032 31.700 -0.006 0.000 0.855 531 W N 4.155 125.445 121.300 -0.016 0.000 2.181 531 W HA 0.280 4.940 4.660 -0.000 0.000 0.335 531 W C 0.053 176.557 176.519 -0.024 0.000 1.310 531 W CA 0.388 57.722 57.345 -0.018 0.000 1.226 531 W CB 0.400 29.849 29.460 -0.018 0.000 1.155 531 W HN 0.366 nan 8.180 nan 0.000 0.565 532 K N 4.002 123.280 120.400 -1.870 0.000 2.598 532 K HA 0.255 4.575 4.320 -0.000 0.000 0.271 532 K C 0.037 175.786 176.600 -1.418 0.000 0.947 532 K CA -0.923 54.363 56.287 -1.669 0.000 0.854 532 K CB 1.569 33.646 32.500 -0.705 0.000 1.401 532 K HN 0.422 nan 8.250 nan 0.000 0.415 533 K N 0.303 120.085 120.400 -1.030 0.000 2.001 533 K HA -0.183 4.137 4.320 -0.000 0.000 0.214 533 K C 0.261 176.694 176.600 -0.278 0.000 1.050 533 K CA 2.438 58.481 56.287 -0.406 0.000 0.934 533 K CB -0.365 31.956 32.500 -0.299 0.000 0.718 533 K HN 0.857 nan 8.250 nan 0.000 0.443 534 H N -2.294 116.634 119.070 -0.238 0.000 2.917 534 H HA 0.212 4.768 4.556 -0.000 0.000 0.299 534 H C -1.524 173.726 175.328 -0.129 0.000 1.418 534 H CA -1.427 54.525 56.048 -0.159 0.000 1.138 534 H CB 0.307 30.009 29.762 -0.101 0.000 1.830 534 H HN 0.025 nan 8.280 nan 0.000 0.514 535 D N -0.934 119.570 120.400 0.175 0.000 2.398 535 D HA 0.121 4.761 4.640 -0.000 0.000 0.247 535 D C 0.021 176.421 176.300 0.167 0.000 1.227 535 D CA -0.705 53.383 54.000 0.146 0.000 0.980 535 D CB 0.642 41.551 40.800 0.182 0.000 1.106 535 D HN 0.741 nan 8.370 nan 0.000 0.493 536 N N -0.331 118.405 118.700 0.060 0.000 2.365 536 N HA 0.096 4.836 4.740 -0.000 0.000 0.257 536 N C -0.187 175.224 175.510 -0.165 0.000 1.287 536 N CA -0.476 52.567 53.050 -0.012 0.000 0.882 536 N CB 0.328 38.824 38.487 0.016 0.000 1.250 536 N HN 0.480 nan 8.380 nan 0.000 0.507 537 I N 2.137 122.433 120.570 -0.458 0.000 3.087 537 I HA -0.083 4.087 4.170 -0.000 0.000 0.318 537 I C -2.025 173.872 176.117 -0.367 0.000 1.209 537 I CA -0.759 60.052 61.300 -0.816 0.000 1.460 537 I CB 0.729 38.103 38.000 -1.043 0.000 1.306 537 I HN 0.126 nan 8.210 nan 0.000 0.560 538 P HA 0.160 nan 4.420 nan 0.000 0.268 538 P C -0.821 176.384 177.300 -0.158 0.000 1.208 538 P CA 0.132 63.132 63.100 -0.167 0.000 0.777 538 P CB 0.559 32.181 31.700 -0.131 0.000 0.875 539 L N 0.000 121.144 121.223 -0.132 0.000 2.949 539 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 539 L CA 0.000 54.785 54.840 -0.091 0.000 0.813 539 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 539 L HN 0.000 nan 8.230 nan 0.000 0.502