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 2qd1_1_C DATA FIRST_RESID 65 DATA SEQUENCE RKPKTGILML NMGGPETLGD VHDFLLRLFL DRDLMTLPIQ NKLAPFIAKR DATA SEQUENCE RTPKIQEQYR RIGGGSPIKI WTSKQGEGMV KLLDELSPNT APHKYYIGFR DATA SEQUENCE YVHPLTEEAI EEMERDGLER AIAFTQYPQY SCSTTGSSLN AIYRYYNQVG DATA SEQUENCE RKPTMKWSTI DRWPTHHLLI QCFADHILKE LDHFPLEKRS EVVILFSAHS DATA SEQUENCE LPMSVVNRGD PYPQEVSATV QKVMERLEYC NPYRLVWQSK VGPMPWLGPQ DATA SEQUENCE TDESIKGLCE RGRKNILLVP IAFTSDHIKT LYELDIEYSQ VLAKECGVEN DATA SEQUENCE IRRAESLNGN PLFSKALADL VHSHIQSNEL CSKQLTLSCP LCVNPVCRET DATA SEQUENCE KSFFTSQQL 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 65 R HA 0.000 nan 4.340 nan 0.000 0.208 65 R C 0.000 176.289 176.300 -0.019 0.000 0.893 65 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 65 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 66 K N 2.339 122.727 120.400 -0.020 0.000 2.270 66 K HA 0.438 4.758 4.320 -0.000 0.000 0.255 66 K C -2.775 173.811 176.600 -0.023 0.000 0.936 66 K CA -2.037 54.239 56.287 -0.018 0.000 0.809 66 K CB 1.758 34.250 32.500 -0.014 0.000 1.131 66 K HN 0.231 nan 8.250 nan 0.000 0.427 67 P HA 0.126 nan 4.420 nan 0.000 0.271 67 P C -0.331 176.953 177.300 -0.027 0.000 1.220 67 P CA -0.103 62.988 63.100 -0.014 0.000 0.768 67 P CB 1.423 33.139 31.700 0.026 0.000 0.848 68 K N 2.044 122.402 120.400 -0.070 0.000 2.306 68 K HA 0.106 4.426 4.320 -0.000 0.000 0.200 68 K C 0.012 176.551 176.600 -0.102 0.000 1.083 68 K CA 0.582 56.815 56.287 -0.091 0.000 0.959 68 K CB 0.459 32.883 32.500 -0.125 0.000 0.994 68 K HN 0.341 nan 8.250 nan 0.000 0.492 69 T N 0.892 115.364 114.554 -0.137 0.000 2.791 69 T HA 0.451 4.801 4.350 -0.000 0.000 0.288 69 T C -0.490 174.237 174.700 0.043 0.000 0.999 69 T CA -0.786 61.264 62.100 -0.084 0.000 0.952 69 T CB 1.552 70.333 68.868 -0.145 0.000 0.938 69 T HN 0.305 nan 8.240 nan 0.000 0.444 70 G N 2.407 111.240 108.800 0.055 0.000 2.348 70 G HA2 0.668 4.628 3.960 -0.000 0.000 0.312 70 G HA3 0.668 4.628 3.960 -0.000 0.000 0.312 70 G C -0.558 174.451 174.900 0.182 0.000 1.126 70 G CA -0.645 44.576 45.100 0.201 0.000 0.865 70 G HN 0.765 nan 8.290 nan 0.000 0.474 71 I N 2.630 123.406 120.570 0.343 0.000 2.437 71 I HA 0.155 4.325 4.170 -0.000 0.000 0.279 71 I C -0.702 175.657 176.117 0.404 0.000 1.028 71 I CA -0.733 60.764 61.300 0.328 0.000 1.142 71 I CB 1.819 40.018 38.000 0.332 0.000 1.266 71 I HN 0.211 nan 8.210 nan 0.000 0.461 72 L N 7.883 129.308 121.223 0.338 0.000 2.295 72 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 72 L C -0.207 176.855 176.870 0.319 0.000 1.079 72 L CA 0.243 55.283 54.840 0.334 0.000 0.830 72 L CB 0.514 42.777 42.059 0.341 0.000 1.200 72 L HN 0.516 nan 8.230 nan 0.000 0.438 73 M N 6.469 126.220 119.600 0.252 0.000 2.120 73 M HA 0.341 4.821 4.480 -0.000 0.000 0.354 73 M C -0.786 175.599 176.300 0.141 0.000 1.287 73 M CA 0.071 55.459 55.300 0.146 0.000 1.103 73 M CB 0.677 33.312 32.600 0.058 0.000 1.623 73 M HN 0.442 nan 8.290 nan 0.000 0.471 74 L N 3.866 125.189 121.223 0.167 0.000 2.295 74 L HA 0.609 4.949 4.340 -0.000 0.000 0.285 74 L C -0.012 176.934 176.870 0.127 0.000 1.035 74 L CA -0.565 54.391 54.840 0.194 0.000 0.806 74 L CB 1.043 43.253 42.059 0.252 0.000 1.214 74 L HN 0.701 nan 8.230 nan 0.000 0.426 75 N N 1.557 120.374 118.700 0.195 0.000 2.927 75 N HA 0.269 5.009 4.740 -0.000 0.000 0.248 75 N C 0.064 175.658 175.510 0.140 0.000 1.443 75 N CA -0.629 52.421 53.050 -0.001 0.000 0.870 75 N CB 1.900 40.422 38.487 0.058 0.000 1.444 75 N HN 0.624 nan 8.380 nan 0.000 0.519 76 M N 0.867 120.494 119.600 0.045 0.000 2.175 76 M HA 0.111 4.591 4.480 -0.000 0.000 0.264 76 M C 0.751 176.957 176.300 -0.157 0.000 1.063 76 M CA 2.001 57.320 55.300 0.031 0.000 1.119 76 M CB -0.393 32.313 32.600 0.178 0.000 1.377 76 M HN 0.816 nan 8.290 nan 0.000 0.415 77 G N -0.921 107.477 108.800 -0.670 0.000 2.756 77 G HA2 0.083 4.043 3.960 -0.000 0.000 0.678 77 G HA3 0.083 4.043 3.960 -0.000 0.000 0.678 77 G C -0.414 174.048 174.900 -0.730 0.000 1.349 77 G CA -0.608 43.611 45.100 -1.468 0.000 0.847 77 G HN 0.825 nan 8.290 nan 0.000 0.548 78 G N -0.345 107.998 108.800 -0.762 0.000 2.718 78 G HA2 0.878 4.838 3.960 -0.000 0.000 0.295 78 G HA3 0.878 4.838 3.960 -0.000 0.000 0.295 78 G C -2.919 171.547 174.900 -0.724 0.000 1.421 78 G CA -0.252 44.353 45.100 -0.824 0.000 0.902 78 G HN 0.802 nan 8.290 nan 0.000 0.501 79 P HA 0.123 nan 4.420 nan 0.000 0.267 79 P C 0.299 177.303 177.300 -0.492 0.000 1.209 79 P CA 0.282 63.035 63.100 -0.579 0.000 0.763 79 P CB 1.965 33.320 31.700 -0.574 0.000 0.816 80 E N 1.262 121.306 120.200 -0.259 0.000 2.107 80 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 80 E C 0.771 177.261 176.600 -0.183 0.000 0.982 80 E CA 1.127 57.418 56.400 -0.182 0.000 0.809 80 E CB 0.161 29.817 29.700 -0.074 0.000 0.756 80 E HN 0.640 nan 8.360 nan 0.000 0.459 81 T N -3.311 111.144 114.554 -0.165 0.000 2.916 81 T HA 0.342 4.692 4.350 -0.000 0.000 0.292 81 T C 1.018 175.642 174.700 -0.127 0.000 1.064 81 T CA -0.782 61.245 62.100 -0.121 0.000 1.011 81 T CB 1.181 70.013 68.868 -0.061 0.000 1.152 81 T HN -0.100 nan 8.240 nan 0.000 0.510 82 L N 0.697 121.878 121.223 -0.070 0.000 2.127 82 L HA 0.063 4.403 4.340 -0.000 0.000 0.211 82 L C 2.787 179.656 176.870 -0.002 0.000 1.089 82 L CA 1.663 56.489 54.840 -0.025 0.000 0.757 82 L CB -0.860 41.205 42.059 0.010 0.000 0.899 82 L HN 1.004 nan 8.230 nan 0.000 0.434 83 G N -1.075 107.721 108.800 -0.006 0.000 2.679 83 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.212 83 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.212 83 G C 0.985 175.906 174.900 0.035 0.000 1.137 83 G CA 0.318 45.427 45.100 0.015 0.000 0.787 83 G HN 0.332 nan 8.290 nan 0.000 0.534 84 D N -0.146 120.262 120.400 0.013 0.000 2.360 84 D HA 0.065 4.705 4.640 -0.000 0.000 0.210 84 D C 2.456 178.807 176.300 0.085 0.000 1.047 84 D CA -0.071 53.956 54.000 0.044 0.000 0.854 84 D CB 0.699 41.495 40.800 -0.007 0.000 0.936 84 D HN 0.150 nan 8.370 nan 0.000 0.514 85 V N 1.461 121.417 119.914 0.070 0.000 2.233 85 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 85 V C 2.500 178.731 176.094 0.228 0.000 1.050 85 V CA 1.716 64.105 62.300 0.149 0.000 1.010 85 V CB -0.629 31.284 31.823 0.149 0.000 0.637 85 V HN 0.392 nan 8.190 nan 0.000 0.444 86 H N 0.443 119.580 119.070 0.111 0.000 2.289 86 H HA -0.218 4.338 4.556 -0.000 0.000 0.296 86 H C 2.089 177.477 175.328 0.100 0.000 1.091 86 H CA 2.443 58.546 56.048 0.091 0.000 1.274 86 H CB -0.259 29.534 29.762 0.052 0.000 1.364 86 H HN 0.426 nan 8.280 nan 0.000 0.490 87 D N -0.185 120.378 120.400 0.271 0.000 2.219 87 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 87 D C 2.059 178.430 176.300 0.118 0.000 0.970 87 D CA 0.609 54.727 54.000 0.197 0.000 0.851 87 D CB -0.694 40.243 40.800 0.228 0.000 0.943 87 D HN 0.353 nan 8.370 nan 0.000 0.488 88 F N 1.234 121.192 119.950 0.012 0.000 2.113 88 F HA -0.086 4.440 4.527 -0.000 0.000 0.297 88 F C 1.930 177.677 175.800 -0.089 0.000 1.103 88 F CA 1.150 59.143 58.000 -0.011 0.000 1.248 88 F CB -0.407 38.589 39.000 -0.007 0.000 0.999 88 F HN -0.120 nan 8.300 nan 0.000 0.475 89 L N -0.285 120.843 121.223 -0.159 0.000 2.079 89 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 89 L C 2.451 179.212 176.870 -0.182 0.000 1.081 89 L CA 1.007 55.718 54.840 -0.214 0.000 0.752 89 L CB -0.874 41.200 42.059 0.025 0.000 0.896 89 L HN 0.309 nan 8.230 nan 0.000 0.433 90 L N -0.012 121.081 121.223 -0.216 0.000 2.005 90 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 90 L C 2.758 179.539 176.870 -0.147 0.000 1.072 90 L CA 1.683 56.432 54.840 -0.151 0.000 0.744 90 L CB -0.491 41.486 42.059 -0.137 0.000 0.895 90 L HN 0.063 nan 8.230 nan 0.000 0.433 91 R N -0.728 119.663 120.500 -0.181 0.000 2.083 91 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 91 R C 2.351 178.366 176.300 -0.475 0.000 1.137 91 R CA 2.015 58.011 56.100 -0.174 0.000 0.951 91 R CB -0.787 29.497 30.300 -0.026 0.000 0.851 91 R HN 0.432 nan 8.270 nan 0.000 0.434 92 L N -0.107 120.531 121.223 -0.976 0.000 2.017 92 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 92 L C 1.715 178.067 176.870 -0.863 0.000 1.073 92 L CA 1.541 55.457 54.840 -1.541 0.000 0.745 92 L CB -0.146 40.877 42.059 -1.726 0.000 0.894 92 L HN 0.091 nan 8.230 nan 0.000 0.432 93 F N -0.732 118.963 119.950 -0.424 0.000 2.748 93 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 93 F C 1.868 177.575 175.800 -0.155 0.000 1.154 93 F CA 0.434 58.297 58.000 -0.228 0.000 1.446 93 F CB 0.056 38.960 39.000 -0.160 0.000 1.112 93 F HN 0.057 nan 8.300 nan 0.000 0.584 94 L N -0.913 120.284 121.223 -0.043 0.000 2.529 94 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 94 L C 0.329 177.190 176.870 -0.015 0.000 1.113 94 L CA 0.055 54.891 54.840 -0.007 0.000 0.861 94 L CB -0.073 41.982 42.059 -0.006 0.000 1.012 94 L HN -0.139 nan 8.230 nan 0.000 0.461 95 D N 0.412 120.777 120.400 -0.059 0.000 2.359 95 D HA -0.015 4.625 4.640 -0.000 0.000 0.250 95 D C 1.261 177.558 176.300 -0.005 0.000 1.264 95 D CA 0.027 54.032 54.000 0.008 0.000 0.911 95 D CB 1.106 41.971 40.800 0.108 0.000 1.056 95 D HN -0.082 nan 8.370 nan 0.000 0.499 96 R N 2.926 123.430 120.500 0.007 0.000 2.120 96 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 96 R C 0.820 177.109 176.300 -0.017 0.000 1.123 96 R CA 1.465 57.563 56.100 -0.003 0.000 0.975 96 R CB 0.077 30.379 30.300 0.004 0.000 0.866 96 R HN 0.327 nan 8.270 nan 0.000 0.446 97 D N -0.053 120.342 120.400 -0.009 0.000 2.219 97 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 97 D C 1.619 177.883 176.300 -0.061 0.000 0.970 97 D CA 0.820 54.803 54.000 -0.028 0.000 0.851 97 D CB -0.088 40.704 40.800 -0.014 0.000 0.943 97 D HN 0.216 nan 8.370 nan 0.000 0.488 98 L N -0.279 120.916 121.223 -0.046 0.000 2.007 98 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 98 L C 0.496 177.291 176.870 -0.124 0.000 1.073 98 L CA 1.306 56.095 54.840 -0.085 0.000 0.744 98 L CB -0.031 41.992 42.059 -0.061 0.000 0.898 98 L HN 0.059 nan 8.230 nan 0.000 0.435 99 M N -3.282 116.261 119.600 -0.094 0.000 2.449 99 M HA 0.410 4.890 4.480 -0.000 0.000 0.291 99 M C -0.668 175.608 176.300 -0.041 0.000 1.148 99 M CA -0.500 54.743 55.300 -0.095 0.000 0.925 99 M CB 1.094 33.631 32.600 -0.105 0.000 1.767 99 M HN -0.317 nan 8.290 nan 0.000 0.503 100 T N 2.862 117.391 114.554 -0.041 0.000 2.882 100 T HA 0.792 5.141 4.350 -0.000 0.000 0.287 100 T C -0.998 173.710 174.700 0.012 0.000 0.992 100 T CA -0.397 61.695 62.100 -0.013 0.000 1.076 100 T CB 0.878 69.733 68.868 -0.023 0.000 0.961 100 T HN 0.504 nan 8.240 nan 0.000 0.490 101 L N 4.436 125.676 121.223 0.028 0.000 2.388 101 L HA 0.555 4.895 4.340 -0.000 0.000 0.264 101 L C -2.120 174.763 176.870 0.022 0.000 0.998 101 L CA -2.352 52.513 54.840 0.041 0.000 0.817 101 L CB 1.820 43.921 42.059 0.070 0.000 1.338 101 L HN 0.405 nan 8.230 nan 0.000 0.414 102 P HA 0.196 nan 4.420 nan 0.000 0.272 102 P C 0.557 177.857 177.300 0.001 0.000 1.230 102 P CA -0.275 62.827 63.100 0.002 0.000 0.788 102 P CB 0.450 32.148 31.700 -0.004 0.000 0.949 103 I N -2.754 117.814 120.570 -0.003 0.000 3.906 103 I HA -0.348 3.821 4.170 -0.000 0.000 0.126 103 I C 1.283 177.403 176.117 0.005 0.000 1.081 103 I CA 0.768 62.066 61.300 -0.004 0.000 2.733 103 I CB -1.910 36.079 38.000 -0.018 0.000 1.518 103 I HN 0.406 nan 8.210 nan 0.000 0.341 104 Q N 2.188 121.997 119.800 0.015 0.000 2.133 104 Q HA -0.249 4.091 4.340 -0.000 0.000 0.208 104 Q C 1.840 177.858 176.000 0.030 0.000 0.991 104 Q CA 2.649 58.469 55.803 0.028 0.000 0.867 104 Q CB -0.018 28.739 28.738 0.030 0.000 0.911 104 Q HN 0.811 nan 8.270 nan 0.000 0.417 105 N N -0.133 118.580 118.700 0.023 0.000 2.289 105 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 105 N C 1.130 176.657 175.510 0.028 0.000 1.016 105 N CA 1.200 54.265 53.050 0.025 0.000 0.872 105 N CB 0.064 38.563 38.487 0.021 0.000 0.973 105 N HN 0.348 nan 8.380 nan 0.000 0.433 106 K N 0.138 120.551 120.400 0.021 0.000 2.168 106 K HA 0.167 4.487 4.320 -0.000 0.000 0.201 106 K C 2.038 178.658 176.600 0.035 0.000 1.049 106 K CA 0.051 56.350 56.287 0.021 0.000 0.974 106 K CB 0.076 32.574 32.500 -0.004 0.000 0.792 106 K HN 0.019 nan 8.250 nan 0.000 0.463 107 L N 1.155 122.391 121.223 0.021 0.000 2.017 107 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 107 L C 2.534 179.441 176.870 0.062 0.000 1.073 107 L CA 1.176 56.038 54.840 0.036 0.000 0.745 107 L CB -0.496 41.569 42.059 0.010 0.000 0.894 107 L HN 0.212 nan 8.230 nan 0.000 0.432 108 A N 0.702 123.545 122.820 0.038 0.000 1.884 108 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 108 A C -0.152 177.428 177.584 -0.006 0.000 1.197 108 A CA 2.287 54.339 52.037 0.025 0.000 0.637 108 A CB -2.029 17.010 19.000 0.065 0.000 0.827 108 A HN 0.331 nan 8.150 nan 0.000 0.450 109 P HA -0.151 nan 4.420 nan 0.000 0.215 109 P C 1.488 178.818 177.300 0.051 0.000 1.153 109 P CA 1.208 64.337 63.100 0.048 0.000 0.853 109 P CB -0.153 31.597 31.700 0.083 0.000 0.788 110 F N 0.163 120.079 119.950 -0.055 0.000 2.102 110 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 110 F C 2.012 177.744 175.800 -0.113 0.000 1.105 110 F CA 1.464 59.426 58.000 -0.062 0.000 1.239 110 F CB -0.806 38.155 39.000 -0.064 0.000 0.991 110 F HN -0.245 nan 8.300 nan 0.000 0.474 111 I N 0.420 120.887 120.570 -0.171 0.000 2.179 111 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 111 I C 2.732 178.602 176.117 -0.412 0.000 1.088 111 I CA 1.286 62.339 61.300 -0.412 0.000 1.357 111 I CB -1.051 36.546 38.000 -0.672 0.000 1.051 111 I HN 0.268 nan 8.210 nan 0.000 0.409 112 A N 0.729 123.368 122.820 -0.300 0.000 1.908 112 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 112 A C 2.273 179.756 177.584 -0.169 0.000 1.181 112 A CA 2.147 54.040 52.037 -0.241 0.000 0.627 112 A CB -0.463 18.328 19.000 -0.347 0.000 0.818 112 A HN 0.277 nan 8.150 nan 0.000 0.445 113 K N -0.443 119.887 120.400 -0.116 0.000 2.097 113 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 113 K C 2.026 178.548 176.600 -0.130 0.000 1.050 113 K CA 1.176 57.455 56.287 -0.013 0.000 0.938 113 K CB -0.124 32.361 32.500 -0.024 0.000 0.718 113 K HN 0.275 nan 8.250 nan 0.000 0.442 114 R N -0.208 120.107 120.500 -0.308 0.000 2.119 114 R HA 0.059 4.398 4.340 -0.000 0.000 0.222 114 R C 2.217 178.406 176.300 -0.185 0.000 1.088 114 R CA 0.949 56.865 56.100 -0.306 0.000 0.984 114 R CB -0.270 29.709 30.300 -0.534 0.000 0.884 114 R HN 0.235 nan 8.270 nan 0.000 0.447 115 R N 0.221 120.621 120.500 -0.168 0.000 2.246 115 R HA 0.021 4.361 4.340 -0.000 0.000 0.199 115 R C 1.418 177.707 176.300 -0.019 0.000 0.984 115 R CA 0.771 56.819 56.100 -0.087 0.000 1.015 115 R CB 0.174 30.425 30.300 -0.081 0.000 0.930 115 R HN 0.001 nan 8.270 nan 0.000 0.475 116 T N 1.585 116.139 114.554 0.001 0.000 2.684 116 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 116 T C -1.233 173.491 174.700 0.040 0.000 1.036 116 T CA 1.429 63.563 62.100 0.058 0.000 1.148 116 T CB -0.748 68.188 68.868 0.113 0.000 0.863 116 T HN 0.270 nan 8.240 nan 0.000 0.436 117 P HA -0.165 nan 4.420 nan 0.000 0.214 117 P C 1.470 178.759 177.300 -0.018 0.000 1.163 117 P CA 1.627 64.726 63.100 -0.002 0.000 0.889 117 P CB -0.092 31.598 31.700 -0.016 0.000 0.790 118 K N -0.601 119.778 120.400 -0.036 0.000 2.097 118 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 118 K C 1.823 178.359 176.600 -0.107 0.000 1.049 118 K CA 1.773 58.018 56.287 -0.069 0.000 0.933 118 K CB -1.287 31.173 32.500 -0.067 0.000 0.717 118 K HN 0.009 nan 8.250 nan 0.000 0.442 119 I N 1.705 122.243 120.570 -0.053 0.000 2.439 119 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 119 I C 2.288 178.421 176.117 0.027 0.000 1.139 119 I CA 1.358 62.628 61.300 -0.049 0.000 1.438 119 I CB -1.135 36.917 38.000 0.087 0.000 1.085 119 I HN 0.389 nan 8.210 nan 0.000 0.427 120 Q N 0.084 119.922 119.800 0.063 0.000 2.119 120 Q HA -0.178 4.162 4.340 -0.000 0.000 0.201 120 Q C 2.118 178.134 176.000 0.027 0.000 0.972 120 Q CA 0.934 56.795 55.803 0.096 0.000 0.847 120 Q CB 0.019 28.794 28.738 0.062 0.000 0.903 120 Q HN 0.358 nan 8.270 nan 0.000 0.433 121 E N 1.111 121.284 120.200 -0.046 0.000 2.077 121 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 121 E C 1.941 178.433 176.600 -0.180 0.000 0.989 121 E CA 1.185 57.535 56.400 -0.082 0.000 0.800 121 E CB 0.050 29.697 29.700 -0.088 0.000 0.746 121 E HN 0.414 nan 8.360 nan 0.000 0.452 122 Q N -0.930 118.653 119.800 -0.361 0.000 2.084 122 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 122 Q C 2.046 177.787 176.000 -0.431 0.000 0.978 122 Q CA 1.377 56.748 55.803 -0.720 0.000 0.844 122 Q CB -0.208 27.934 28.738 -0.994 0.000 0.898 122 Q HN 0.430 nan 8.270 nan 0.000 0.426 123 Y N 0.478 120.686 120.300 -0.154 0.000 2.263 123 Y HA -0.177 4.373 4.550 -0.000 0.000 0.292 123 Y C 2.600 178.476 175.900 -0.040 0.000 1.130 123 Y CA 1.267 59.323 58.100 -0.074 0.000 1.179 123 Y CB 0.046 38.466 38.460 -0.067 0.000 0.998 123 Y HN 0.124 nan 8.280 nan 0.000 0.532 124 R N 0.873 121.430 120.500 0.095 0.000 2.096 124 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 124 R C 1.794 178.125 176.300 0.052 0.000 1.127 124 R CA 1.524 57.661 56.100 0.062 0.000 0.968 124 R CB -0.458 29.862 30.300 0.034 0.000 0.861 124 R HN 0.143 nan 8.270 nan 0.000 0.440 125 R N 1.007 121.531 120.500 0.041 0.000 2.285 125 R HA 0.035 4.375 4.340 -0.000 0.000 0.213 125 R C 1.390 177.747 176.300 0.096 0.000 1.068 125 R CA 1.325 57.469 56.100 0.074 0.000 1.004 125 R CB -0.176 30.196 30.300 0.121 0.000 0.873 125 R HN 0.549 nan 8.270 nan 0.000 0.467 126 I N -4.676 115.953 120.570 0.098 0.000 3.762 126 I HA 0.466 4.636 4.170 -0.000 0.000 0.333 126 I C 0.616 176.791 176.117 0.097 0.000 1.566 126 I CA 0.026 61.388 61.300 0.103 0.000 1.129 126 I CB 1.149 39.221 38.000 0.120 0.000 1.218 126 I HN 0.094 nan 8.210 nan 0.000 0.456 127 G N 0.966 109.813 108.800 0.077 0.000 2.255 127 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.196 127 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.196 127 G C 0.973 175.902 174.900 0.048 0.000 0.998 127 G CA -0.390 44.744 45.100 0.057 0.000 0.656 127 G HN 1.390 nan 8.290 nan 0.000 0.490 128 G N -1.012 107.832 108.800 0.074 0.000 2.138 128 G HA2 0.524 4.484 3.960 -0.000 0.000 0.193 128 G HA3 0.524 4.484 3.960 -0.000 0.000 0.193 128 G C 1.361 176.266 174.900 0.008 0.000 0.998 128 G CA 0.763 45.892 45.100 0.047 0.000 0.668 128 G HN 2.694 nan 8.290 nan 0.000 0.516 129 G N -1.568 107.254 108.800 0.037 0.000 2.341 129 G HA2 0.580 4.540 3.960 -0.000 0.000 0.293 129 G HA3 0.580 4.540 3.960 -0.000 0.000 0.293 129 G C -0.575 174.288 174.900 -0.062 0.000 1.298 129 G CA 0.487 45.473 45.100 -0.191 0.000 0.868 129 G HN 1.597 nan 8.290 nan 0.000 0.540 130 S N 0.284 115.836 115.700 -0.247 0.000 2.554 130 S HA 0.705 5.175 4.470 -0.000 0.000 0.278 130 S C -1.256 173.345 174.600 0.001 0.000 1.242 130 S CA -0.912 57.279 58.200 -0.016 0.000 1.051 130 S CB 1.618 64.752 63.200 -0.109 0.000 0.986 130 S HN 0.523 nan 8.310 nan 0.000 0.502 131 P HA 0.192 nan 4.420 nan 0.000 0.262 131 P C 1.383 178.761 177.300 0.130 0.000 1.304 131 P CA -0.083 63.042 63.100 0.043 0.000 0.859 131 P CB -0.002 31.744 31.700 0.077 0.000 1.310 132 I N 0.576 121.253 120.570 0.179 0.000 2.248 132 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 132 I C 2.337 178.642 176.117 0.313 0.000 1.107 132 I CA 1.566 63.010 61.300 0.239 0.000 1.373 132 I CB 0.029 38.042 38.000 0.023 0.000 1.055 132 I HN -0.116 nan 8.210 nan 0.000 0.418 133 K N 0.795 121.358 120.400 0.272 0.000 2.057 133 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 133 K C 2.023 178.697 176.600 0.124 0.000 1.050 133 K CA 1.620 58.095 56.287 0.313 0.000 0.935 133 K CB -0.101 32.557 32.500 0.263 0.000 0.715 133 K HN 0.392 nan 8.250 nan 0.000 0.439 134 I N -0.746 119.816 120.570 -0.012 0.000 2.179 134 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 134 I C 2.029 178.060 176.117 -0.144 0.000 1.088 134 I CA 1.409 62.607 61.300 -0.170 0.000 1.357 134 I CB -0.439 37.319 38.000 -0.403 0.000 1.051 134 I HN 0.287 nan 8.210 nan 0.000 0.409 135 W N 1.120 122.442 121.300 0.037 0.000 2.355 135 W HA -0.176 4.484 4.660 -0.000 0.000 0.309 135 W C 2.841 179.365 176.519 0.007 0.000 1.206 135 W CA 1.170 58.520 57.345 0.009 0.000 1.284 135 W CB -0.727 28.731 29.460 -0.004 0.000 1.145 135 W HN -0.026 nan 8.180 nan 0.000 0.502 136 T N -0.233 114.492 114.554 0.285 0.000 2.720 136 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 136 T C 1.777 176.477 174.700 0.001 0.000 1.037 136 T CA 1.805 64.001 62.100 0.161 0.000 1.144 136 T CB -0.567 68.429 68.868 0.213 0.000 0.864 136 T HN 0.027 nan 8.240 nan 0.000 0.444 137 S N 1.225 116.937 115.700 0.020 0.000 2.348 137 S HA -0.094 4.376 4.470 -0.000 0.000 0.221 137 S C 2.089 176.620 174.600 -0.115 0.000 1.033 137 S CA 1.084 59.266 58.200 -0.030 0.000 1.010 137 S CB -0.214 63.025 63.200 0.065 0.000 0.891 137 S HN 0.534 nan 8.310 nan 0.000 0.442 138 K N 1.117 121.512 120.400 -0.009 0.000 2.063 138 K HA -0.170 4.149 4.320 -0.000 0.000 0.208 138 K C 2.429 179.027 176.600 -0.002 0.000 1.048 138 K CA 1.469 57.770 56.287 0.022 0.000 0.928 138 K CB -0.270 32.295 32.500 0.109 0.000 0.713 138 K HN 0.454 nan 8.250 nan 0.000 0.442 139 Q N -0.230 119.588 119.800 0.029 0.000 2.084 139 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 139 Q C 2.339 178.244 176.000 -0.158 0.000 0.978 139 Q CA 1.406 57.236 55.803 0.045 0.000 0.844 139 Q CB -0.239 28.617 28.738 0.196 0.000 0.898 139 Q HN 0.484 nan 8.270 nan 0.000 0.426 140 G N 1.176 109.711 108.800 -0.443 0.000 2.408 140 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 140 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 140 G C 1.099 175.602 174.900 -0.663 0.000 1.150 140 G CA 0.533 45.091 45.100 -0.904 0.000 0.776 140 G HN 0.317 nan 8.290 nan 0.000 0.542 141 E N 0.273 120.226 120.200 -0.412 0.000 2.152 141 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 141 E C 2.732 179.326 176.600 -0.011 0.000 0.983 141 E CA 0.544 56.940 56.400 -0.006 0.000 0.818 141 E CB -0.201 29.543 29.700 0.074 0.000 0.758 141 E HN 0.396 nan 8.360 nan 0.000 0.467 142 G N 1.706 110.478 108.800 -0.046 0.000 2.394 142 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.215 142 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.215 142 G C 1.567 176.440 174.900 -0.046 0.000 1.165 142 G CA 0.597 45.683 45.100 -0.023 0.000 0.784 142 G HN 0.123 nan 8.290 nan 0.000 0.535 143 M N 0.527 120.081 119.600 -0.077 0.000 2.108 143 M HA -0.083 4.397 4.480 -0.000 0.000 0.261 143 M C 2.452 178.708 176.300 -0.072 0.000 1.066 143 M CA 1.467 56.715 55.300 -0.087 0.000 1.107 143 M CB -0.147 32.398 32.600 -0.091 0.000 1.356 143 M HN 0.094 nan 8.290 nan 0.000 0.406 144 V N 0.812 120.718 119.914 -0.014 0.000 2.295 144 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 144 V C 2.395 178.474 176.094 -0.025 0.000 1.049 144 V CA 2.098 64.408 62.300 0.018 0.000 1.024 144 V CB -0.898 31.009 31.823 0.140 0.000 0.648 144 V HN 0.525 nan 8.190 nan 0.000 0.447 145 K N -0.326 120.071 120.400 -0.006 0.000 2.113 145 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 145 K C 2.069 178.643 176.600 -0.043 0.000 1.047 145 K CA 1.619 57.900 56.287 -0.010 0.000 0.928 145 K CB -0.189 32.310 32.500 -0.001 0.000 0.716 145 K HN 0.402 nan 8.250 nan 0.000 0.446 146 L N 0.392 121.573 121.223 -0.070 0.000 2.095 146 L HA -0.133 4.206 4.340 -0.000 0.000 0.204 146 L C 2.340 179.113 176.870 -0.161 0.000 1.080 146 L CA 0.662 55.446 54.840 -0.092 0.000 0.759 146 L CB -0.312 41.696 42.059 -0.085 0.000 0.914 146 L HN 0.182 nan 8.230 nan 0.000 0.439 147 L N -0.278 120.791 121.223 -0.257 0.000 2.083 147 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 147 L C 2.171 178.775 176.870 -0.443 0.000 1.083 147 L CA 1.005 55.545 54.840 -0.499 0.000 0.752 147 L CB -0.583 40.953 42.059 -0.871 0.000 0.899 147 L HN 0.292 nan 8.230 nan 0.000 0.433 148 D N -0.310 119.969 120.400 -0.200 0.000 2.221 148 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 148 D C 2.128 178.424 176.300 -0.006 0.000 0.982 148 D CA 0.999 55.025 54.000 0.043 0.000 0.857 148 D CB 0.094 40.938 40.800 0.074 0.000 0.934 148 D HN 0.354 nan 8.370 nan 0.000 0.475 149 E N 0.148 120.310 120.200 -0.063 0.000 2.075 149 E HA 0.051 4.401 4.350 -0.000 0.000 0.190 149 E C 2.584 179.129 176.600 -0.091 0.000 0.969 149 E CA -0.026 56.342 56.400 -0.054 0.000 0.815 149 E CB -0.283 29.391 29.700 -0.043 0.000 0.776 149 E HN 0.293 nan 8.360 nan 0.000 0.457 150 L N 0.458 121.581 121.223 -0.167 0.000 2.017 150 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 150 L C 1.501 178.118 176.870 -0.422 0.000 1.073 150 L CA 1.005 55.676 54.840 -0.282 0.000 0.745 150 L CB -0.114 41.715 42.059 -0.384 0.000 0.894 150 L HN -0.056 nan 8.230 nan 0.000 0.432 151 S N -0.265 115.215 115.700 -0.368 0.000 2.150 151 S HA 0.270 4.740 4.470 -0.000 0.000 0.171 151 S C -1.514 173.111 174.600 0.043 0.000 1.620 151 S CA -1.486 56.598 58.200 -0.194 0.000 1.190 151 S CB 0.625 63.721 63.200 -0.175 0.000 1.102 151 S HN -0.013 nan 8.310 nan 0.000 0.464 152 P HA -0.080 nan 4.420 nan 0.000 0.218 152 P C 0.931 178.245 177.300 0.023 0.000 1.149 152 P CA 0.941 64.064 63.100 0.039 0.000 0.817 152 P CB 0.087 31.796 31.700 0.014 0.000 0.785 153 N N 0.228 118.940 118.700 0.019 0.000 2.205 153 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 153 N C 1.325 176.823 175.510 -0.022 0.000 1.015 153 N CA 1.791 54.843 53.050 0.004 0.000 0.862 153 N CB -1.149 37.347 38.487 0.015 0.000 0.986 153 N HN 0.330 nan 8.380 nan 0.000 0.429 154 T N -1.088 113.453 114.554 -0.021 0.000 3.434 154 T HA 0.596 4.946 4.350 -0.000 0.000 0.249 154 T C 0.921 175.440 174.700 -0.303 0.000 1.050 154 T CA 0.217 62.246 62.100 -0.119 0.000 0.952 154 T CB -0.394 68.449 68.868 -0.043 0.000 1.046 154 T HN 0.363 nan 8.240 nan 0.000 0.590 155 A N 2.333 125.055 122.820 -0.164 0.000 5.835 155 A HA -0.142 4.178 4.320 -0.000 0.000 0.405 155 A C -2.120 175.325 177.584 -0.232 0.000 1.759 155 A CA -0.034 51.916 52.037 -0.144 0.000 1.132 155 A CB -2.140 16.795 19.000 -0.108 0.000 1.382 155 A HN 0.506 nan 8.150 nan 0.000 0.498 156 P HA 0.341 nan 4.420 nan 0.000 0.265 156 P C -0.660 176.525 177.300 -0.191 0.000 1.193 156 P CA 0.808 63.853 63.100 -0.091 0.000 0.765 156 P CB 0.164 31.836 31.700 -0.046 0.000 0.823 157 H N 1.134 120.207 119.070 0.004 0.000 2.472 157 H HA 0.550 5.106 4.556 -0.000 0.000 0.338 157 H C 0.139 175.478 175.328 0.019 0.000 1.133 157 H CA -0.464 55.599 56.048 0.026 0.000 1.216 157 H CB 1.446 31.227 29.762 0.031 0.000 1.497 157 H HN 0.219 nan 8.280 nan 0.000 0.500 158 K N 2.587 123.070 120.400 0.140 0.000 2.482 158 K HA 0.251 4.571 4.320 -0.000 0.000 0.251 158 K C -1.498 175.111 176.600 0.015 0.000 0.936 158 K CA -0.976 55.289 56.287 -0.037 0.000 0.791 158 K CB 1.336 33.721 32.500 -0.192 0.000 1.213 158 K HN 0.640 nan 8.250 nan 0.000 0.428 159 Y N 1.640 121.869 120.300 -0.117 0.000 2.361 159 Y HA 0.571 5.120 4.550 -0.000 0.000 0.332 159 Y C -1.608 174.191 175.900 -0.168 0.000 1.101 159 Y CA -0.839 57.262 58.100 0.001 0.000 1.137 159 Y CB 0.740 39.209 38.460 0.015 0.000 1.207 159 Y HN 0.340 nan 8.280 nan 0.000 0.463 160 Y N 3.638 124.001 120.300 0.105 0.000 2.462 160 Y HA 0.555 5.105 4.550 -0.000 0.000 0.346 160 Y C -0.431 175.521 175.900 0.086 0.000 0.976 160 Y CA -1.743 56.356 58.100 -0.002 0.000 1.044 160 Y CB 1.724 40.181 38.460 -0.005 0.000 1.230 160 Y HN 0.599 nan 8.280 nan 0.000 0.455 161 I N 2.315 122.957 120.570 0.119 0.000 2.342 161 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 161 I C 0.485 176.519 176.117 -0.139 0.000 1.010 161 I CA -0.263 60.974 61.300 -0.104 0.000 1.308 161 I CB 1.077 38.853 38.000 -0.373 0.000 1.400 161 I HN 0.893 nan 8.210 nan 0.000 0.488 162 G N 7.222 115.970 108.800 -0.087 0.000 3.302 162 G HA2 0.436 4.396 3.960 -0.000 0.000 0.338 162 G HA3 0.436 4.396 3.960 -0.000 0.000 0.338 162 G C -0.565 174.406 174.900 0.120 0.000 1.405 162 G CA -0.313 44.797 45.100 0.017 0.000 1.090 162 G HN 0.434 nan 8.290 nan 0.000 0.482 163 F N 0.856 120.824 119.950 0.030 0.000 2.412 163 F HA 0.268 4.795 4.527 -0.000 0.000 0.348 163 F C 1.731 177.486 175.800 -0.074 0.000 1.102 163 F CA -1.205 56.793 58.000 -0.003 0.000 1.196 163 F CB 2.001 41.014 39.000 0.022 0.000 1.144 163 F HN 0.392 nan 8.300 nan 0.000 0.541 164 R N 2.147 122.651 120.500 0.008 0.000 2.073 164 R HA -0.108 4.231 4.340 -0.000 0.000 0.229 164 R C 0.516 176.547 176.300 -0.449 0.000 1.120 164 R CA 1.825 57.705 56.100 -0.367 0.000 0.967 164 R CB -0.305 29.529 30.300 -0.776 0.000 0.862 164 R HN 0.698 nan 8.270 nan 0.000 0.436 165 Y N -0.717 119.659 120.300 0.127 0.000 2.660 165 Y HA 0.327 4.877 4.550 -0.000 0.000 0.254 165 Y C -0.373 175.642 175.900 0.193 0.000 1.176 165 Y CA -0.623 57.538 58.100 0.102 0.000 1.195 165 Y CB 1.005 39.441 38.460 -0.041 0.000 1.190 165 Y HN -0.125 nan 8.280 nan 0.000 0.535 166 V N -4.417 115.639 119.914 0.238 0.000 3.242 166 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 166 V C -1.035 175.130 176.094 0.118 0.000 1.352 166 V CA -1.575 60.824 62.300 0.164 0.000 1.052 166 V CB 1.286 33.211 31.823 0.170 0.000 1.101 166 V HN 0.045 nan 8.190 nan 0.000 0.446 167 H N 2.865 122.045 119.070 0.184 0.000 2.764 167 H HA 0.490 5.046 4.556 -0.000 0.000 0.341 167 H C -2.304 173.137 175.328 0.188 0.000 1.072 167 H CA -0.607 55.529 56.048 0.147 0.000 1.444 167 H CB 0.722 30.539 29.762 0.092 0.000 1.458 167 H HN 0.650 nan 8.280 nan 0.000 0.572 168 P HA 0.071 nan 4.420 nan 0.000 0.281 168 P C -0.454 176.895 177.300 0.082 0.000 1.286 168 P CA -0.220 62.960 63.100 0.133 0.000 0.772 168 P CB 0.718 32.438 31.700 0.033 0.000 0.862 169 L N 2.552 123.798 121.223 0.038 0.000 2.473 169 L HA 0.063 4.403 4.340 -0.000 0.000 0.268 169 L C 2.178 179.044 176.870 -0.007 0.000 1.215 169 L CA -0.047 54.792 54.840 -0.000 0.000 0.823 169 L CB -0.349 41.665 42.059 -0.075 0.000 1.099 169 L HN 0.354 nan 8.230 nan 0.000 0.483 170 T N -0.345 114.202 114.554 -0.012 0.000 2.699 170 T HA -0.200 4.149 4.350 -0.000 0.000 0.268 170 T C 1.565 176.190 174.700 -0.124 0.000 1.036 170 T CA 1.855 63.938 62.100 -0.029 0.000 1.147 170 T CB -0.173 68.683 68.868 -0.020 0.000 0.862 170 T HN 0.575 nan 8.240 nan 0.000 0.446 171 E N 1.195 121.302 120.200 -0.154 0.000 2.077 171 E HA -0.101 4.248 4.350 -0.000 0.000 0.193 171 E C 2.320 178.719 176.600 -0.335 0.000 0.989 171 E CA 1.096 57.300 56.400 -0.325 0.000 0.800 171 E CB -0.218 29.429 29.700 -0.088 0.000 0.746 171 E HN 0.609 nan 8.360 nan 0.000 0.452 172 E N 0.563 120.686 120.200 -0.127 0.000 2.077 172 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 172 E C 2.138 178.696 176.600 -0.070 0.000 0.989 172 E CA 0.961 57.326 56.400 -0.058 0.000 0.800 172 E CB -0.224 29.499 29.700 0.040 0.000 0.746 172 E HN 0.286 nan 8.360 nan 0.000 0.452 173 A N 1.406 124.194 122.820 -0.055 0.000 1.908 173 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 173 A C 2.206 179.719 177.584 -0.119 0.000 1.181 173 A CA 1.261 53.291 52.037 -0.011 0.000 0.627 173 A CB -0.678 18.342 19.000 0.034 0.000 0.818 173 A HN 0.155 nan 8.150 nan 0.000 0.445 174 I N -0.420 120.025 120.570 -0.210 0.000 2.226 174 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 174 I C 2.437 178.415 176.117 -0.231 0.000 1.100 174 I CA 1.583 62.739 61.300 -0.240 0.000 1.374 174 I CB -0.542 37.149 38.000 -0.515 0.000 1.057 174 I HN 0.447 nan 8.210 nan 0.000 0.413 175 E N 0.596 120.633 120.200 -0.273 0.000 2.077 175 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 175 E C 2.064 178.653 176.600 -0.018 0.000 0.989 175 E CA 1.221 57.570 56.400 -0.084 0.000 0.800 175 E CB -0.153 29.527 29.700 -0.033 0.000 0.746 175 E HN 0.499 nan 8.360 nan 0.000 0.452 176 E N 0.713 120.903 120.200 -0.016 0.000 2.072 176 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 176 E C 2.127 178.757 176.600 0.050 0.000 0.985 176 E CA 0.849 57.285 56.400 0.060 0.000 0.801 176 E CB 0.038 29.826 29.700 0.147 0.000 0.750 176 E HN 0.226 nan 8.360 nan 0.000 0.452 177 M N 0.266 119.771 119.600 -0.158 0.000 2.117 177 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 177 M C 2.227 178.476 176.300 -0.085 0.000 1.065 177 M CA 1.375 56.472 55.300 -0.339 0.000 1.114 177 M CB -0.160 32.075 32.600 -0.609 0.000 1.361 177 M HN -0.013 nan 8.290 nan 0.000 0.408 178 E N 0.580 120.775 120.200 -0.009 0.000 2.077 178 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 178 E C 1.985 178.618 176.600 0.055 0.000 0.989 178 E CA 1.418 57.859 56.400 0.069 0.000 0.800 178 E CB 0.035 29.813 29.700 0.130 0.000 0.746 178 E HN 0.298 nan 8.360 nan 0.000 0.452 179 R N 0.331 120.861 120.500 0.049 0.000 2.073 179 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 179 R C 1.573 177.901 176.300 0.047 0.000 1.134 179 R CA 1.458 57.588 56.100 0.049 0.000 0.952 179 R CB -0.325 30.004 30.300 0.048 0.000 0.850 179 R HN 0.246 nan 8.270 nan 0.000 0.433 180 D N -0.301 120.136 120.400 0.061 0.000 2.351 180 D HA -0.055 4.585 4.640 -0.000 0.000 0.216 180 D C 0.983 177.306 176.300 0.039 0.000 0.968 180 D CA 1.242 55.281 54.000 0.064 0.000 0.899 180 D CB -0.218 40.661 40.800 0.130 0.000 0.907 180 D HN 0.479 nan 8.370 nan 0.000 0.514 181 G N 1.124 109.941 108.800 0.029 0.000 2.273 181 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.280 181 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.280 181 G C 0.375 175.272 174.900 -0.004 0.000 1.047 181 G CA 0.035 45.143 45.100 0.015 0.000 0.869 181 G HN 0.327 nan 8.290 nan 0.000 0.502 182 L N -1.139 120.074 121.223 -0.017 0.000 2.483 182 L HA 0.154 4.494 4.340 -0.000 0.000 0.277 182 L C 1.751 178.582 176.870 -0.065 0.000 1.248 182 L CA 0.436 55.250 54.840 -0.043 0.000 0.825 182 L CB 0.225 42.237 42.059 -0.079 0.000 1.096 182 L HN 0.339 nan 8.230 nan 0.000 0.512 183 E N 0.138 120.293 120.200 -0.075 0.000 2.307 183 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 183 E C 0.293 176.828 176.600 -0.108 0.000 0.975 183 E CA 0.147 56.502 56.400 -0.076 0.000 0.878 183 E CB 0.683 30.346 29.700 -0.062 0.000 0.845 183 E HN 0.372 nan 8.360 nan 0.000 0.488 184 R N 0.328 120.748 120.500 -0.134 0.000 2.651 184 R HA 0.576 4.916 4.340 -0.000 0.000 0.278 184 R C -1.940 174.205 176.300 -0.258 0.000 1.010 184 R CA -0.406 55.593 56.100 -0.169 0.000 0.896 184 R CB 1.901 32.147 30.300 -0.090 0.000 1.211 184 R HN -0.001 nan 8.270 nan 0.000 0.456 185 A N 5.452 128.005 122.820 -0.445 0.000 2.330 185 A HA 0.599 4.919 4.320 -0.000 0.000 0.313 185 A C -0.847 176.550 177.584 -0.312 0.000 1.124 185 A CA -0.721 50.904 52.037 -0.688 0.000 0.774 185 A CB 0.792 18.701 19.000 -1.819 0.000 1.198 185 A HN 0.667 nan 8.150 nan 0.000 0.465 186 I N 2.456 122.996 120.570 -0.049 0.000 2.382 186 I HA 0.431 4.600 4.170 -0.000 0.000 0.286 186 I C 0.597 176.909 176.117 0.324 0.000 1.002 186 I CA -0.464 60.941 61.300 0.175 0.000 1.135 186 I CB 1.940 40.003 38.000 0.105 0.000 1.288 186 I HN 0.720 nan 8.210 nan 0.000 0.448 187 A N 7.667 130.786 122.820 0.499 0.000 2.437 187 A HA 0.321 4.641 4.320 -0.000 0.000 0.303 187 A C -0.623 177.172 177.584 0.352 0.000 1.324 187 A CA -0.048 52.294 52.037 0.510 0.000 0.983 187 A CB -0.217 19.111 19.000 0.547 0.000 1.142 187 A HN 0.735 nan 8.150 nan 0.000 0.541 188 F N 3.813 123.865 119.950 0.171 0.000 2.308 188 F HA 0.256 4.783 4.527 -0.000 0.000 0.370 188 F C 0.774 176.697 175.800 0.205 0.000 1.100 188 F CA -0.673 57.392 58.000 0.108 0.000 1.108 188 F CB 0.830 39.850 39.000 0.032 0.000 1.293 188 F HN 0.519 nan 8.300 nan 0.000 0.478 189 T N 4.132 119.042 114.554 0.594 0.000 2.901 189 T HA 0.018 4.367 4.350 -0.000 0.000 0.301 189 T C 0.836 175.797 174.700 0.435 0.000 1.012 189 T CA -0.308 62.073 62.100 0.468 0.000 1.135 189 T CB 1.006 70.188 68.868 0.522 0.000 0.936 189 T HN 0.646 nan 8.240 nan 0.000 0.539 190 Q N 3.342 123.252 119.800 0.185 0.000 2.320 190 Q HA 0.104 4.444 4.340 -0.000 0.000 0.201 190 Q C -0.808 175.236 176.000 0.074 0.000 0.910 190 Q CA 0.332 56.228 55.803 0.156 0.000 0.946 190 Q CB 0.087 28.829 28.738 0.007 0.000 1.062 190 Q HN 0.746 nan 8.270 nan 0.000 0.503 191 Y N 0.542 120.957 120.300 0.191 0.000 2.454 191 Y HA 0.193 4.743 4.550 -0.000 0.000 0.345 191 Y C -1.409 174.368 175.900 -0.206 0.000 0.970 191 Y CA -2.259 55.874 58.100 0.055 0.000 1.204 191 Y CB 1.097 39.601 38.460 0.074 0.000 1.122 191 Y HN 0.041 nan 8.280 nan 0.000 0.514 192 P HA -0.155 nan 4.420 nan 0.000 0.216 192 P C -0.448 176.620 177.300 -0.386 0.000 1.150 192 P CA 1.377 63.830 63.100 -1.078 0.000 0.837 192 P CB 0.306 31.451 31.700 -0.925 0.000 0.786 193 Q N -1.249 118.509 119.800 -0.071 0.000 2.314 193 Q HA 0.293 4.633 4.340 -0.000 0.000 0.259 193 Q C -0.818 175.332 176.000 0.251 0.000 0.951 193 Q CA -0.609 55.236 55.803 0.070 0.000 0.909 193 Q CB 0.459 29.178 28.738 -0.031 0.000 1.236 193 Q HN 0.144 nan 8.270 nan 0.000 0.444 194 Y N 1.614 121.989 120.300 0.123 0.000 2.465 194 Y HA 0.287 4.837 4.550 -0.000 0.000 0.331 194 Y C -0.194 175.788 175.900 0.136 0.000 1.102 194 Y CA 0.458 58.628 58.100 0.117 0.000 1.358 194 Y CB 0.700 39.209 38.460 0.082 0.000 1.213 194 Y HN 0.584 nan 8.280 nan 0.000 0.525 195 S N 4.492 119.934 115.700 -0.429 0.000 2.536 195 S HA 0.273 4.743 4.470 -0.000 0.000 0.287 195 S C 0.219 174.406 174.600 -0.687 0.000 1.101 195 S CA -0.938 57.045 58.200 -0.362 0.000 0.950 195 S CB 0.778 63.699 63.200 -0.466 0.000 1.056 195 S HN 0.971 nan 8.310 nan 0.000 0.481 196 C N 2.592 121.698 119.300 -0.324 0.000 2.432 196 C HA 0.023 4.483 4.460 -0.000 0.000 0.282 196 C C 2.716 177.535 174.990 -0.285 0.000 1.388 196 C CA 0.790 59.664 59.018 -0.239 0.000 1.777 196 C CB -1.407 26.317 27.740 -0.026 0.000 1.882 196 C HN 0.888 nan 8.230 nan 0.000 0.520 197 S N 0.438 115.944 115.700 -0.322 0.000 2.453 197 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 197 S C 1.879 176.256 174.600 -0.371 0.000 1.005 197 S CA 1.844 59.861 58.200 -0.306 0.000 0.949 197 S CB -0.160 62.842 63.200 -0.330 0.000 0.774 197 S HN 0.924 nan 8.310 nan 0.000 0.510 198 T N -2.327 111.888 114.554 -0.565 0.000 3.478 198 T HA 0.094 4.444 4.350 -0.000 0.000 0.223 198 T C 1.812 176.129 174.700 -0.637 0.000 0.958 198 T CA 0.704 62.324 62.100 -0.800 0.000 1.324 198 T CB -1.024 66.912 68.868 -1.554 0.000 1.262 198 T HN 0.042 nan 8.240 nan 0.000 0.379 199 T N 1.761 115.900 114.554 -0.692 0.000 2.720 199 T HA 0.033 4.382 4.350 -0.000 0.000 0.268 199 T C 2.149 176.702 174.700 -0.245 0.000 1.037 199 T CA 1.751 63.682 62.100 -0.282 0.000 1.144 199 T CB -1.217 67.510 68.868 -0.236 0.000 0.864 199 T HN 0.627 nan 8.240 nan 0.000 0.444 200 G N 0.646 109.167 108.800 -0.466 0.000 2.491 200 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 200 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 200 G C 1.866 176.721 174.900 -0.075 0.000 1.180 200 G CA 1.386 46.380 45.100 -0.176 0.000 0.774 200 G HN 0.534 nan 8.290 nan 0.000 0.562 201 S N 0.103 115.729 115.700 -0.123 0.000 2.370 201 S HA -0.119 4.350 4.470 -0.000 0.000 0.226 201 S C 2.654 177.233 174.600 -0.034 0.000 1.033 201 S CA 1.970 60.131 58.200 -0.066 0.000 1.011 201 S CB -0.435 62.716 63.200 -0.081 0.000 0.852 201 S HN 0.299 nan 8.310 nan 0.000 0.457 202 S N 1.260 116.942 115.700 -0.030 0.000 2.382 202 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 202 S C 1.759 176.402 174.600 0.072 0.000 1.027 202 S CA 1.263 59.481 58.200 0.030 0.000 0.991 202 S CB -0.414 62.854 63.200 0.112 0.000 0.823 202 S HN 0.480 nan 8.310 nan 0.000 0.469 203 L N 1.506 122.786 121.223 0.096 0.000 2.093 203 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 203 L C 2.072 179.026 176.870 0.141 0.000 1.085 203 L CA 0.761 55.702 54.840 0.168 0.000 0.755 203 L CB -0.624 41.544 42.059 0.182 0.000 0.904 203 L HN 0.247 nan 8.230 nan 0.000 0.435 204 N N 0.523 119.279 118.700 0.093 0.000 2.223 204 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 204 N C 1.881 177.443 175.510 0.086 0.000 1.016 204 N CA 1.428 54.534 53.050 0.093 0.000 0.863 204 N CB -0.234 38.289 38.487 0.061 0.000 0.983 204 N HN 0.293 nan 8.380 nan 0.000 0.429 205 A N 1.182 124.026 122.820 0.040 0.000 1.933 205 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 205 A C 2.288 179.859 177.584 -0.023 0.000 1.175 205 A CA 0.847 52.892 52.037 0.013 0.000 0.628 205 A CB -0.569 18.427 19.000 -0.007 0.000 0.814 205 A HN 0.214 nan 8.150 nan 0.000 0.444 206 I N -1.890 118.640 120.570 -0.066 0.000 2.142 206 I HA -0.266 3.903 4.170 -0.000 0.000 0.240 206 I C 2.516 178.423 176.117 -0.350 0.000 1.078 206 I CA 1.973 63.145 61.300 -0.213 0.000 1.343 206 I CB -0.662 37.144 38.000 -0.324 0.000 1.046 206 I HN 0.567 nan 8.210 nan 0.000 0.405 207 Y N 2.328 122.282 120.300 -0.578 0.000 2.081 207 Y HA -0.279 4.271 4.550 -0.000 0.000 0.280 207 Y C 2.755 178.506 175.900 -0.247 0.000 1.163 207 Y CA 1.609 59.321 58.100 -0.645 0.000 1.135 207 Y CB -0.422 37.787 38.460 -0.419 0.000 0.970 207 Y HN -0.050 nan 8.280 nan 0.000 0.498 208 R N -1.048 119.283 120.500 -0.282 0.000 2.127 208 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 208 R C 2.142 178.279 176.300 -0.273 0.000 1.134 208 R CA 1.690 57.608 56.100 -0.304 0.000 0.975 208 R CB -0.941 29.345 30.300 -0.024 0.000 0.865 208 R HN 0.545 nan 8.270 nan 0.000 0.447 209 Y N 0.551 120.673 120.300 -0.297 0.000 2.097 209 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 209 Y C 1.804 177.498 175.900 -0.345 0.000 1.152 209 Y CA 1.515 59.431 58.100 -0.307 0.000 1.136 209 Y CB -0.621 37.619 38.460 -0.367 0.000 0.975 209 Y HN -0.030 nan 8.280 nan 0.000 0.498 210 Y N 0.332 120.410 120.300 -0.370 0.000 2.293 210 Y HA -0.219 4.331 4.550 -0.000 0.000 0.291 210 Y C 2.713 178.381 175.900 -0.386 0.000 1.137 210 Y CA 1.624 59.508 58.100 -0.361 0.000 1.202 210 Y CB -0.592 37.793 38.460 -0.125 0.000 0.990 210 Y HN 0.310 nan 8.280 nan 0.000 0.537 211 N N 0.040 118.518 118.700 -0.370 0.000 2.244 211 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 211 N C 1.513 176.867 175.510 -0.259 0.000 1.016 211 N CA 1.004 53.836 53.050 -0.364 0.000 0.866 211 N CB 0.163 38.272 38.487 -0.631 0.000 0.980 211 N HN 0.401 nan 8.380 nan 0.000 0.430 212 Q N 0.656 120.275 119.800 -0.301 0.000 1.994 212 Q HA -0.015 4.325 4.340 -0.000 0.000 0.198 212 Q C 2.361 178.208 176.000 -0.254 0.000 0.976 212 Q CA 0.737 56.397 55.803 -0.239 0.000 0.828 212 Q CB -0.836 27.760 28.738 -0.237 0.000 0.894 212 Q HN 0.183 nan 8.270 nan 0.000 0.432 213 V N 0.415 120.085 119.914 -0.407 0.000 2.380 213 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 213 V C 1.522 177.504 176.094 -0.186 0.000 1.063 213 V CA 1.899 63.986 62.300 -0.356 0.000 1.055 213 V CB -1.032 30.444 31.823 -0.578 0.000 0.657 213 V HN 0.733 nan 8.190 nan 0.000 0.455 214 G N 0.785 109.494 108.800 -0.151 0.000 2.132 214 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.234 214 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.234 214 G C 0.148 175.034 174.900 -0.023 0.000 0.989 214 G CA 0.239 45.295 45.100 -0.073 0.000 0.676 214 G HN 0.826 nan 8.290 nan 0.000 0.522 215 R N -0.986 119.521 120.500 0.012 0.000 2.698 215 R HA 0.697 5.036 4.340 -0.000 0.000 0.275 215 R C -0.171 176.226 176.300 0.162 0.000 1.001 215 R CA -1.194 54.948 56.100 0.070 0.000 0.896 215 R CB 1.556 31.894 30.300 0.063 0.000 1.218 215 R HN 0.079 nan 8.270 nan 0.000 0.462 216 K N 1.711 122.174 120.400 0.105 0.000 2.397 216 K HA 0.128 4.448 4.320 -0.000 0.000 0.265 216 K C -2.091 174.580 176.600 0.119 0.000 0.982 216 K CA -1.067 55.262 56.287 0.069 0.000 0.931 216 K CB 0.265 32.776 32.500 0.019 0.000 0.943 216 K HN 0.392 nan 8.250 nan 0.000 0.501 217 P HA -0.010 nan 4.420 nan 0.000 0.272 217 P C 0.182 177.558 177.300 0.126 0.000 1.223 217 P CA -0.043 63.097 63.100 0.067 0.000 0.784 217 P CB 0.630 32.269 31.700 -0.101 0.000 0.923 218 T N -2.096 112.566 114.554 0.180 0.000 3.122 218 T HA 0.316 4.666 4.350 -0.000 0.000 0.250 218 T C 0.564 175.284 174.700 0.033 0.000 1.067 218 T CA -0.007 62.148 62.100 0.093 0.000 0.966 218 T CB -0.653 68.274 68.868 0.100 0.000 1.002 218 T HN 0.421 nan 8.240 nan 0.000 0.542 219 M N -0.756 118.850 119.600 0.010 0.000 2.593 219 M HA 0.579 5.059 4.480 -0.000 0.000 0.290 219 M C -0.994 175.221 176.300 -0.141 0.000 1.244 219 M CA -1.163 54.079 55.300 -0.097 0.000 0.857 219 M CB 2.387 34.874 32.600 -0.189 0.000 1.738 219 M HN -0.243 nan 8.290 nan 0.000 0.461 220 K N 1.444 121.755 120.400 -0.148 0.000 2.339 220 K HA 0.263 4.583 4.320 -0.000 0.000 0.286 220 K C -1.842 174.665 176.600 -0.154 0.000 1.050 220 K CA -0.031 56.194 56.287 -0.103 0.000 0.956 220 K CB 0.616 33.078 32.500 -0.062 0.000 0.990 220 K HN 0.700 nan 8.250 nan 0.000 0.475 221 W N 1.910 123.164 121.300 -0.077 0.000 2.516 221 W HA 0.300 4.960 4.660 -0.000 0.000 0.343 221 W C 0.016 176.641 176.519 0.176 0.000 1.094 221 W CA 0.012 57.381 57.345 0.041 0.000 1.250 221 W CB 1.785 31.183 29.460 -0.103 0.000 1.308 221 W HN 0.725 nan 8.180 nan 0.000 0.588 222 S N 0.381 116.491 115.700 0.684 0.000 2.611 222 S HA 0.761 5.231 4.470 -0.000 0.000 0.268 222 S C -1.149 173.789 174.600 0.563 0.000 1.156 222 S CA -0.884 57.685 58.200 0.616 0.000 0.817 222 S CB 1.933 65.445 63.200 0.521 0.000 1.122 222 S HN 0.450 nan 8.310 nan 0.000 0.466 223 T N 0.394 115.097 114.554 0.248 0.000 2.923 223 T HA 0.628 4.978 4.350 -0.000 0.000 0.311 223 T C -1.655 172.917 174.700 -0.212 0.000 1.183 223 T CA -0.691 61.371 62.100 -0.064 0.000 1.020 223 T CB 0.936 69.528 68.868 -0.460 0.000 1.165 223 T HN 0.666 nan 8.240 nan 0.000 0.482 224 I N 5.073 125.501 120.570 -0.237 0.000 2.442 224 I HA 0.260 4.430 4.170 -0.000 0.000 0.279 224 I C 1.030 177.238 176.117 0.150 0.000 1.081 224 I CA -0.581 60.607 61.300 -0.185 0.000 1.197 224 I CB 1.047 38.746 38.000 -0.501 0.000 1.394 224 I HN 0.725 nan 8.210 nan 0.000 0.488 225 D N 5.913 126.403 120.400 0.150 0.000 2.347 225 D HA -0.062 4.577 4.640 -0.000 0.000 0.215 225 D C 0.649 177.206 176.300 0.427 0.000 0.976 225 D CA 0.348 54.507 54.000 0.265 0.000 0.884 225 D CB 0.515 41.396 40.800 0.135 0.000 0.915 225 D HN 0.549 nan 8.370 nan 0.000 0.526 226 R N -1.168 119.597 120.500 0.441 0.000 2.728 226 R HA 0.365 4.705 4.340 -0.000 0.000 0.274 226 R C -1.656 174.993 176.300 0.582 0.000 1.032 226 R CA -1.038 55.322 56.100 0.433 0.000 0.866 226 R CB 0.371 30.840 30.300 0.282 0.000 1.263 226 R HN 0.176 nan 8.270 nan 0.000 0.475 227 W N 0.062 121.489 121.300 0.212 0.000 0.769 227 W HA 0.208 4.868 4.660 -0.000 0.000 0.324 227 W C -2.714 173.922 176.519 0.195 0.000 0.907 227 W CA -1.305 56.158 57.345 0.197 0.000 1.089 227 W CB -0.410 29.180 29.460 0.216 0.000 1.121 227 W HN 0.529 nan 8.180 nan 0.000 0.499 228 P HA -0.112 nan 4.420 nan 0.000 0.223 228 P C 1.192 178.543 177.300 0.085 0.000 1.151 228 P CA 2.141 65.250 63.100 0.014 0.000 0.787 228 P CB 0.088 31.788 31.700 0.000 0.000 0.788 229 T N -5.344 109.305 114.554 0.159 0.000 3.252 229 T HA 0.062 4.412 4.350 -0.000 0.000 0.286 229 T C 0.584 175.408 174.700 0.208 0.000 1.013 229 T CA -0.532 61.654 62.100 0.145 0.000 0.914 229 T CB -1.097 67.821 68.868 0.084 0.000 1.131 229 T HN 0.082 nan 8.240 nan 0.000 0.529 230 H N 2.676 121.883 119.070 0.229 0.000 3.070 230 H HA -0.023 4.533 4.556 -0.000 0.000 0.313 230 H C 1.548 176.953 175.328 0.127 0.000 0.997 230 H CA 1.190 57.354 56.048 0.193 0.000 1.438 230 H CB 0.683 30.590 29.762 0.241 0.000 1.455 230 H HN 0.723 nan 8.280 nan 0.000 0.575 231 H N 3.580 122.546 119.070 -0.173 0.000 2.460 231 H HA -0.127 4.429 4.556 -0.000 0.000 0.297 231 H C 1.553 176.949 175.328 0.115 0.000 1.103 231 H CA 1.820 57.846 56.048 -0.037 0.000 1.292 231 H CB -0.042 29.652 29.762 -0.113 0.000 1.376 231 H HN 0.547 nan 8.280 nan 0.000 0.531 232 L N -0.581 120.531 121.223 -0.185 0.000 2.209 232 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 232 L C 2.360 179.311 176.870 0.136 0.000 1.094 232 L CA 0.552 55.390 54.840 -0.003 0.000 0.790 232 L CB -0.198 41.836 42.059 -0.042 0.000 0.932 232 L HN 0.309 nan 8.230 nan 0.000 0.447 233 L N 0.071 121.458 121.223 0.274 0.000 2.056 233 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 233 L C 2.384 179.407 176.870 0.256 0.000 1.078 233 L CA 1.725 56.738 54.840 0.288 0.000 0.749 233 L CB -0.331 42.005 42.059 0.461 0.000 0.901 233 L HN 0.042 nan 8.230 nan 0.000 0.433 234 I N -0.176 120.547 120.570 0.255 0.000 2.226 234 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 234 I C 2.571 178.793 176.117 0.175 0.000 1.100 234 I CA 1.629 63.063 61.300 0.223 0.000 1.374 234 I CB -1.464 36.624 38.000 0.148 0.000 1.057 234 I HN 0.571 nan 8.210 nan 0.000 0.413 235 Q N 0.086 119.966 119.800 0.133 0.000 2.124 235 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 235 Q C 2.578 178.606 176.000 0.046 0.000 0.977 235 Q CA 1.890 57.751 55.803 0.096 0.000 0.850 235 Q CB 0.048 28.848 28.738 0.103 0.000 0.901 235 Q HN 0.502 nan 8.270 nan 0.000 0.429 236 C N -0.187 119.101 119.300 -0.020 0.000 2.432 236 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 236 C C 2.276 177.067 174.990 -0.331 0.000 1.249 236 C CA 0.627 59.505 59.018 -0.232 0.000 1.725 236 C CB -1.201 26.338 27.740 -0.336 0.000 2.028 236 C HN 0.578 nan 8.230 nan 0.000 0.477 237 F N 1.243 121.125 119.950 -0.112 0.000 2.113 237 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 237 F C 2.585 178.394 175.800 0.016 0.000 1.103 237 F CA 1.275 59.242 58.000 -0.055 0.000 1.248 237 F CB -0.480 38.532 39.000 0.021 0.000 0.999 237 F HN 0.160 nan 8.300 nan 0.000 0.475 238 A N -0.018 122.932 122.820 0.216 0.000 1.902 238 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 238 A C 1.852 179.509 177.584 0.122 0.000 1.181 238 A CA 2.121 54.240 52.037 0.137 0.000 0.623 238 A CB -0.805 18.247 19.000 0.086 0.000 0.818 238 A HN 0.274 nan 8.150 nan 0.000 0.443 239 D N -0.801 119.668 120.400 0.115 0.000 2.097 239 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 239 D C 1.738 178.169 176.300 0.219 0.000 0.989 239 D CA 1.483 55.566 54.000 0.138 0.000 0.827 239 D CB -0.656 40.226 40.800 0.137 0.000 0.966 239 D HN 0.727 nan 8.370 nan 0.000 0.456 240 H N -0.100 119.004 119.070 0.056 0.000 2.387 240 H HA -0.010 4.546 4.556 -0.000 0.000 0.299 240 H C 2.289 177.663 175.328 0.075 0.000 1.090 240 H CA 0.373 56.454 56.048 0.054 0.000 1.332 240 H CB 0.232 30.017 29.762 0.039 0.000 1.386 240 H HN 0.137 nan 8.280 nan 0.000 0.516 241 I N 0.699 121.396 120.570 0.212 0.000 2.252 241 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 241 I C 2.220 178.390 176.117 0.088 0.000 1.102 241 I CA 0.809 62.178 61.300 0.115 0.000 1.385 241 I CB -0.124 37.911 38.000 0.059 0.000 1.064 241 I HN 0.209 nan 8.210 nan 0.000 0.414 242 L N 0.500 121.773 121.223 0.084 0.000 2.042 242 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 242 L C 2.608 179.509 176.870 0.051 0.000 1.076 242 L CA 1.533 56.405 54.840 0.054 0.000 0.749 242 L CB -0.564 41.524 42.059 0.048 0.000 0.893 242 L HN 0.193 nan 8.230 nan 0.000 0.432 243 K N -0.419 120.019 120.400 0.063 0.000 2.026 243 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 243 K C 2.087 178.734 176.600 0.078 0.000 1.048 243 K CA 1.139 57.442 56.287 0.027 0.000 0.929 243 K CB -0.073 32.445 32.500 0.031 0.000 0.713 243 K HN 0.194 nan 8.250 nan 0.000 0.439 244 E N 1.067 121.387 120.200 0.200 0.000 2.106 244 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 244 E C 2.081 178.941 176.600 0.434 0.000 0.984 244 E CA 0.764 57.389 56.400 0.374 0.000 0.806 244 E CB -0.178 29.688 29.700 0.278 0.000 0.750 244 E HN 0.292 nan 8.360 nan 0.000 0.458 245 L N 1.113 122.498 121.223 0.270 0.000 2.046 245 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 245 L C 1.923 178.954 176.870 0.269 0.000 1.077 245 L CA 1.157 56.148 54.840 0.251 0.000 0.747 245 L CB -0.417 41.665 42.059 0.038 0.000 0.896 245 L HN 0.011 nan 8.230 nan 0.000 0.432 246 D N -0.907 119.537 120.400 0.074 0.000 2.221 246 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 246 D C 1.956 178.216 176.300 -0.065 0.000 0.982 246 D CA 1.132 55.103 54.000 -0.048 0.000 0.857 246 D CB -0.214 40.475 40.800 -0.185 0.000 0.934 246 D HN 0.421 nan 8.370 nan 0.000 0.475 247 H N -1.175 117.952 119.070 0.094 0.000 2.559 247 H HA 0.037 4.593 4.556 -0.000 0.000 0.273 247 H C 0.407 175.654 175.328 -0.136 0.000 1.000 247 H CA 0.236 56.256 56.048 -0.045 0.000 1.195 247 H CB -0.090 29.591 29.762 -0.136 0.000 1.368 247 H HN 0.132 nan 8.280 nan 0.000 0.592 248 F N 0.673 120.667 119.950 0.073 0.000 2.380 248 F HA 0.312 4.839 4.527 -0.000 0.000 0.321 248 F C -1.607 174.205 175.800 0.021 0.000 1.103 248 F CA -2.670 55.355 58.000 0.042 0.000 1.067 248 F CB 0.281 39.297 39.000 0.027 0.000 1.265 248 F HN -0.166 nan 8.300 nan 0.000 0.517 249 P HA -0.029 nan 4.420 nan 0.000 0.268 249 P C 0.473 177.837 177.300 0.107 0.000 1.208 249 P CA 0.010 63.179 63.100 0.114 0.000 0.777 249 P CB 0.561 32.320 31.700 0.098 0.000 0.875 250 L N 2.974 124.236 121.223 0.065 0.000 1.976 250 L HA -0.191 4.148 4.340 -0.000 0.000 0.209 250 L C 2.247 179.141 176.870 0.039 0.000 1.071 250 L CA 1.872 56.741 54.840 0.047 0.000 0.746 250 L CB -1.356 40.722 42.059 0.030 0.000 0.890 250 L HN 0.533 nan 8.230 nan 0.000 0.432 251 E N -0.881 119.339 120.200 0.034 0.000 2.204 251 E HA -0.260 4.089 4.350 -0.000 0.000 0.195 251 E C 1.934 178.550 176.600 0.026 0.000 0.990 251 E CA 1.245 57.660 56.400 0.026 0.000 0.821 251 E CB -0.297 29.416 29.700 0.022 0.000 0.750 251 E HN 0.499 nan 8.360 nan 0.000 0.477 252 K N 0.785 121.209 120.400 0.039 0.000 2.007 252 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 252 K C 2.055 178.657 176.600 0.004 0.000 1.047 252 K CA 0.656 56.963 56.287 0.033 0.000 0.937 252 K CB -0.230 32.312 32.500 0.069 0.000 0.718 252 K HN 0.007 nan 8.250 nan 0.000 0.438 253 R N 0.744 121.250 120.500 0.010 0.000 2.307 253 R HA -0.365 3.974 4.340 -0.000 0.000 0.186 253 R C 2.053 178.306 176.300 -0.078 0.000 1.049 253 R CA 3.132 59.208 56.100 -0.040 0.000 0.295 253 R CB -1.406 28.891 30.300 -0.005 0.000 0.655 253 R HN 0.420 nan 8.270 nan 0.000 0.236 254 S N -0.278 115.399 115.700 -0.038 0.000 2.488 254 S HA -0.184 4.286 4.470 -0.000 0.000 0.246 254 S C 1.639 176.216 174.600 -0.039 0.000 0.992 254 S CA 1.716 59.898 58.200 -0.031 0.000 0.963 254 S CB -0.188 63.008 63.200 -0.006 0.000 0.754 254 S HN 0.644 nan 8.310 nan 0.000 0.519 255 E N 0.912 121.082 120.200 -0.050 0.000 2.340 255 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 255 E C -0.276 176.274 176.600 -0.084 0.000 0.996 255 E CA -0.021 56.351 56.400 -0.047 0.000 0.869 255 E CB 0.278 29.963 29.700 -0.025 0.000 0.835 255 E HN 0.408 nan 8.360 nan 0.000 0.493 256 V N 3.286 123.103 119.914 -0.161 0.000 2.540 256 V HA -0.035 4.085 4.120 -0.000 0.000 0.297 256 V C 0.527 176.507 176.094 -0.190 0.000 1.024 256 V CA -0.021 62.118 62.300 -0.269 0.000 1.105 256 V CB 0.729 32.174 31.823 -0.631 0.000 0.938 256 V HN 0.164 nan 8.190 nan 0.000 0.482 257 V N 4.941 124.771 119.914 -0.140 0.000 2.432 257 V HA 0.538 4.658 4.120 -0.000 0.000 0.275 257 V C -0.070 175.957 176.094 -0.113 0.000 1.043 257 V CA -0.497 61.751 62.300 -0.088 0.000 0.925 257 V CB 0.884 32.672 31.823 -0.057 0.000 0.985 257 V HN 0.625 nan 8.190 nan 0.000 0.466 258 I N 6.239 126.755 120.570 -0.089 0.000 2.322 258 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 258 I C -0.039 175.970 176.117 -0.180 0.000 1.060 258 I CA -0.064 61.119 61.300 -0.195 0.000 1.309 258 I CB 0.840 38.696 38.000 -0.240 0.000 1.415 258 I HN 0.493 nan 8.210 nan 0.000 0.492 259 L N 7.401 128.491 121.223 -0.222 0.000 2.264 259 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 259 L C -0.568 176.152 176.870 -0.250 0.000 1.039 259 L CA -0.505 54.247 54.840 -0.147 0.000 0.829 259 L CB 0.361 42.364 42.059 -0.095 0.000 1.211 259 L HN 0.433 nan 8.230 nan 0.000 0.427 260 F N 1.789 121.662 119.950 -0.129 0.000 2.471 260 F HA 0.072 4.599 4.527 -0.000 0.000 0.365 260 F C 1.033 176.663 175.800 -0.285 0.000 1.095 260 F CA 0.305 58.169 58.000 -0.227 0.000 1.174 260 F CB 1.069 39.900 39.000 -0.281 0.000 1.105 260 F HN 0.330 nan 8.300 nan 0.000 0.535 261 S N 3.879 119.505 115.700 -0.124 0.000 2.474 261 S HA 0.764 5.234 4.470 -0.000 0.000 0.320 261 S C -0.215 174.273 174.600 -0.187 0.000 1.067 261 S CA -0.596 57.520 58.200 -0.140 0.000 1.127 261 S CB -0.091 63.090 63.200 -0.032 0.000 0.971 261 S HN 0.709 nan 8.310 nan 0.000 0.472 262 A N 4.012 126.680 122.820 -0.254 0.000 2.294 262 A HA 0.545 4.865 4.320 -0.000 0.000 0.330 262 A C -0.086 177.624 177.584 0.210 0.000 1.133 262 A CA -0.637 51.316 52.037 -0.140 0.000 0.836 262 A CB 0.355 19.233 19.000 -0.204 0.000 1.190 262 A HN 0.911 nan 8.150 nan 0.000 0.492 263 H N 1.028 120.257 119.070 0.264 0.000 2.886 263 H HA 0.191 4.746 4.556 -0.000 0.000 0.329 263 H C 0.738 176.464 175.328 0.663 0.000 1.044 263 H CA 1.085 57.413 56.048 0.467 0.000 1.456 263 H CB 1.013 31.063 29.762 0.480 0.000 1.464 263 H HN 0.689 nan 8.280 nan 0.000 0.573 264 S N 3.409 119.508 115.700 0.666 0.000 2.641 264 S HA 0.489 4.959 4.470 -0.000 0.000 0.261 264 S C -0.220 174.765 174.600 0.641 0.000 1.257 264 S CA -0.667 57.943 58.200 0.684 0.000 0.983 264 S CB 0.439 64.016 63.200 0.628 0.000 0.990 264 S HN 0.573 nan 8.310 nan 0.000 0.572 265 L N 1.592 122.960 121.223 0.242 0.000 2.424 265 L HA 0.481 4.821 4.340 -0.000 0.000 0.258 265 L C -2.574 173.840 176.870 -0.761 0.000 0.995 265 L CA -2.433 52.229 54.840 -0.297 0.000 0.821 265 L CB 2.525 44.411 42.059 -0.289 0.000 1.383 265 L HN 0.486 nan 8.230 nan 0.000 0.410 266 P HA 0.117 nan 4.420 nan 0.000 0.268 266 P C 0.436 177.392 177.300 -0.574 0.000 1.205 266 P CA -0.364 61.943 63.100 -1.322 0.000 0.771 266 P CB 0.481 31.564 31.700 -1.027 0.000 0.858 267 M N 1.566 120.949 119.600 -0.361 0.000 2.358 267 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 267 M C 1.756 177.947 176.300 -0.182 0.000 1.064 267 M CA 1.595 56.772 55.300 -0.206 0.000 1.093 267 M CB -1.810 30.723 32.600 -0.111 0.000 1.401 267 M HN 0.403 nan 8.290 nan 0.000 0.440 268 S N -0.603 114.973 115.700 -0.206 0.000 2.399 268 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 268 S C 1.951 176.459 174.600 -0.154 0.000 1.022 268 S CA 1.236 59.345 58.200 -0.152 0.000 0.983 268 S CB -0.853 62.262 63.200 -0.142 0.000 0.803 268 S HN 0.292 nan 8.310 nan 0.000 0.480 269 V N 1.374 121.161 119.914 -0.211 0.000 2.379 269 V HA -0.043 4.077 4.120 -0.000 0.000 0.243 269 V C 2.655 178.667 176.094 -0.136 0.000 1.035 269 V CA 1.230 63.422 62.300 -0.180 0.000 1.035 269 V CB -0.660 31.019 31.823 -0.240 0.000 0.673 269 V HN 0.424 nan 8.190 nan 0.000 0.457 270 V N 0.869 120.690 119.914 -0.156 0.000 2.255 270 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 270 V C 2.185 178.232 176.094 -0.079 0.000 1.051 270 V CA 2.210 64.442 62.300 -0.113 0.000 1.018 270 V CB -0.891 30.845 31.823 -0.146 0.000 0.641 270 V HN 0.557 nan 8.190 nan 0.000 0.445 271 N N -0.159 118.490 118.700 -0.084 0.000 2.573 271 N HA -0.123 4.617 4.740 -0.000 0.000 0.187 271 N C 1.794 177.277 175.510 -0.045 0.000 1.107 271 N CA 0.734 53.749 53.050 -0.058 0.000 0.918 271 N CB -0.448 38.005 38.487 -0.056 0.000 0.966 271 N HN 0.481 nan 8.380 nan 0.000 0.448 272 R N 0.097 120.567 120.500 -0.050 0.000 2.276 272 R HA 0.036 4.375 4.340 -0.000 0.000 0.196 272 R C 0.380 176.667 176.300 -0.021 0.000 0.961 272 R CA 0.823 56.901 56.100 -0.036 0.000 1.024 272 R CB 0.228 30.502 30.300 -0.044 0.000 0.940 272 R HN 0.175 nan 8.270 nan 0.000 0.480 273 G N 1.488 110.276 108.800 -0.019 0.000 2.141 273 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.164 273 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.164 273 G C -0.537 174.373 174.900 0.018 0.000 1.009 273 G CA 0.002 45.100 45.100 -0.002 0.000 0.677 273 G HN 0.496 nan 8.290 nan 0.000 0.508 274 D N 0.217 120.626 120.400 0.014 0.000 2.488 274 D HA 0.377 5.017 4.640 -0.000 0.000 0.238 274 D C -0.205 176.154 176.300 0.099 0.000 1.138 274 D CA -0.606 53.427 54.000 0.055 0.000 0.873 274 D CB 1.075 41.884 40.800 0.015 0.000 1.183 274 D HN 0.124 nan 8.370 nan 0.000 0.458 275 P HA -0.061 nan 4.420 nan 0.000 0.225 275 P C 0.691 178.112 177.300 0.202 0.000 1.156 275 P CA 0.489 63.691 63.100 0.168 0.000 0.787 275 P CB 0.010 31.837 31.700 0.212 0.000 0.802 276 Y N 2.999 123.351 120.300 0.086 0.000 2.014 276 Y HA -0.213 4.337 4.550 -0.000 0.000 0.272 276 Y C -0.705 175.260 175.900 0.108 0.000 1.164 276 Y CA 2.604 60.750 58.100 0.077 0.000 1.114 276 Y CB -1.980 36.495 38.460 0.026 0.000 0.961 276 Y HN 0.045 nan 8.280 nan 0.000 0.489 277 P HA -0.255 nan 4.420 nan 0.000 0.216 277 P C 1.364 178.707 177.300 0.072 0.000 1.150 277 P CA 2.115 65.255 63.100 0.067 0.000 0.843 277 P CB -0.218 31.475 31.700 -0.013 0.000 0.787 278 Q N 0.512 120.338 119.800 0.045 0.000 2.123 278 Q HA -0.146 4.194 4.340 -0.000 0.000 0.199 278 Q C 2.027 178.026 176.000 -0.002 0.000 0.966 278 Q CA 1.493 57.314 55.803 0.031 0.000 0.845 278 Q CB -0.173 28.585 28.738 0.033 0.000 0.907 278 Q HN 0.394 nan 8.270 nan 0.000 0.439 279 E N -0.333 119.858 120.200 -0.015 0.000 2.107 279 E HA -0.088 4.261 4.350 -0.000 0.000 0.191 279 E C 2.187 178.720 176.600 -0.111 0.000 0.982 279 E CA 1.076 57.454 56.400 -0.035 0.000 0.809 279 E CB 0.069 29.775 29.700 0.009 0.000 0.756 279 E HN 0.141 nan 8.360 nan 0.000 0.459 280 V N 1.648 121.442 119.914 -0.200 0.000 2.343 280 V HA -0.245 3.874 4.120 -0.000 0.000 0.247 280 V C 2.332 178.292 176.094 -0.224 0.000 1.051 280 V CA 1.905 64.043 62.300 -0.271 0.000 1.036 280 V CB -0.493 31.101 31.823 -0.382 0.000 0.654 280 V HN 0.194 nan 8.190 nan 0.000 0.451 281 S N 0.226 115.852 115.700 -0.124 0.000 2.400 281 S HA -0.186 4.284 4.470 -0.000 0.000 0.232 281 S C 2.178 176.692 174.600 -0.143 0.000 1.025 281 S CA 1.391 59.523 58.200 -0.112 0.000 0.993 281 S CB -0.458 62.739 63.200 -0.004 0.000 0.808 281 S HN 0.670 nan 8.310 nan 0.000 0.478 282 A N 1.377 124.132 122.820 -0.110 0.000 1.898 282 A HA -0.081 4.238 4.320 -0.000 0.000 0.216 282 A C 2.333 179.833 177.584 -0.139 0.000 1.181 282 A CA 1.885 53.867 52.037 -0.092 0.000 0.620 282 A CB -1.269 17.704 19.000 -0.044 0.000 0.819 282 A HN 0.471 nan 8.150 nan 0.000 0.442 283 T N -0.151 114.299 114.554 -0.174 0.000 2.746 283 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 283 T C 1.884 176.369 174.700 -0.358 0.000 1.039 283 T CA 1.584 63.563 62.100 -0.201 0.000 1.142 283 T CB -0.474 68.266 68.868 -0.214 0.000 0.866 283 T HN 0.155 nan 8.240 nan 0.000 0.444 284 V N 1.550 121.149 119.914 -0.525 0.000 2.261 284 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 284 V C 2.692 178.365 176.094 -0.702 0.000 1.047 284 V CA 1.939 63.683 62.300 -0.927 0.000 1.015 284 V CB -0.778 30.485 31.823 -0.932 0.000 0.642 284 V HN 0.356 nan 8.190 nan 0.000 0.446 285 Q N 0.492 120.051 119.800 -0.402 0.000 2.077 285 Q HA -0.227 4.113 4.340 -0.000 0.000 0.206 285 Q C 2.188 178.052 176.000 -0.226 0.000 0.989 285 Q CA 1.885 57.544 55.803 -0.239 0.000 0.853 285 Q CB -0.313 28.368 28.738 -0.095 0.000 0.907 285 Q HN 0.453 nan 8.270 nan 0.000 0.418 286 K N -0.494 119.795 120.400 -0.185 0.000 2.057 286 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 286 K C 2.169 178.676 176.600 -0.154 0.000 1.049 286 K CA 1.330 57.543 56.287 -0.125 0.000 0.931 286 K CB -0.755 31.710 32.500 -0.058 0.000 0.714 286 K HN 0.182 nan 8.250 nan 0.000 0.440 287 V N 1.721 121.515 119.914 -0.200 0.000 2.295 287 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 287 V C 2.454 178.424 176.094 -0.207 0.000 1.049 287 V CA 1.545 63.760 62.300 -0.141 0.000 1.024 287 V CB -0.389 31.366 31.823 -0.113 0.000 0.648 287 V HN 0.247 nan 8.190 nan 0.000 0.447 288 M N -0.536 118.836 119.600 -0.379 0.000 2.229 288 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 288 M C 2.113 177.956 176.300 -0.762 0.000 1.063 288 M CA 1.414 56.405 55.300 -0.516 0.000 1.114 288 M CB -1.216 30.974 32.600 -0.685 0.000 1.387 288 M HN 0.481 nan 8.290 nan 0.000 0.420 289 E N -0.327 119.514 120.200 -0.599 0.000 2.106 289 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 289 E C 2.090 178.507 176.600 -0.304 0.000 0.984 289 E CA 0.977 57.064 56.400 -0.522 0.000 0.806 289 E CB -0.258 29.330 29.700 -0.187 0.000 0.750 289 E HN 0.470 nan 8.360 nan 0.000 0.458 290 R N 1.265 121.645 120.500 -0.200 0.000 2.115 290 R HA -0.091 4.249 4.340 -0.000 0.000 0.230 290 R C 1.923 178.161 176.300 -0.105 0.000 1.111 290 R CA 0.959 56.996 56.100 -0.104 0.000 0.976 290 R CB -0.124 30.150 30.300 -0.043 0.000 0.870 290 R HN 0.139 nan 8.270 nan 0.000 0.445 291 L N 0.954 122.085 121.223 -0.153 0.000 2.599 291 L HA 0.111 4.451 4.340 -0.000 0.000 0.230 291 L C 0.077 176.873 176.870 -0.123 0.000 1.141 291 L CA 0.463 55.238 54.840 -0.109 0.000 0.877 291 L CB -0.220 41.784 42.059 -0.091 0.000 1.009 291 L HN 0.325 nan 8.230 nan 0.000 0.447 292 E N -0.936 119.141 120.200 -0.206 0.000 2.476 292 E HA -0.287 4.063 4.350 -0.000 0.000 0.251 292 E C -0.710 175.893 176.600 0.005 0.000 1.130 292 E CA 0.306 56.640 56.400 -0.110 0.000 0.736 292 E CB -1.645 28.057 29.700 0.002 0.000 1.298 292 E HN 0.459 nan 8.360 nan 0.000 0.400 293 Y N -3.330 116.990 120.300 0.034 0.000 3.108 293 Y HA -0.380 4.170 4.550 -0.000 0.000 0.208 293 Y C 2.046 177.982 175.900 0.061 0.000 1.245 293 Y CA 0.666 58.809 58.100 0.071 0.000 1.171 293 Y CB -2.816 35.695 38.460 0.085 0.000 1.331 293 Y HN 0.650 nan 8.280 nan 0.000 0.534 294 C N -2.749 116.614 119.300 0.104 0.000 2.432 294 C HA 0.107 4.567 4.460 -0.000 0.000 0.280 294 C C 1.051 176.082 174.990 0.069 0.000 1.353 294 C CA 0.676 59.737 59.018 0.072 0.000 1.766 294 C CB -0.743 27.012 27.740 0.026 0.000 1.924 294 C HN 0.630 nan 8.230 nan 0.000 0.509 295 N N 0.447 119.203 118.700 0.093 0.000 2.321 295 N HA 0.641 5.381 4.740 -0.000 0.000 0.290 295 N C -2.949 172.659 175.510 0.163 0.000 1.212 295 N CA -1.130 51.964 53.050 0.074 0.000 0.767 295 N CB 1.494 39.983 38.487 0.002 0.000 1.494 295 N HN 0.159 nan 8.380 nan 0.000 0.479 296 P HA 0.209 nan 4.420 nan 0.000 0.277 296 P C -1.552 175.843 177.300 0.158 0.000 1.240 296 P CA 0.029 63.184 63.100 0.093 0.000 0.798 296 P CB 0.553 32.252 31.700 -0.001 0.000 0.979 297 Y N -1.366 118.973 120.300 0.065 0.000 2.638 297 Y HA 0.780 5.329 4.550 -0.000 0.000 0.335 297 Y C -1.196 174.756 175.900 0.086 0.000 1.155 297 Y CA -1.282 56.874 58.100 0.093 0.000 1.046 297 Y CB 1.232 39.842 38.460 0.250 0.000 1.303 297 Y HN 0.160 nan 8.280 nan 0.000 0.460 298 R N 1.721 122.329 120.500 0.180 0.000 2.668 298 R HA 0.477 4.817 4.340 -0.000 0.000 0.272 298 R C -2.172 174.234 176.300 0.177 0.000 1.019 298 R CA -1.054 55.086 56.100 0.067 0.000 0.894 298 R CB 2.480 32.764 30.300 -0.027 0.000 1.228 298 R HN 0.870 nan 8.270 nan 0.000 0.460 299 L N 3.398 124.654 121.223 0.055 0.000 2.257 299 L HA 0.477 4.817 4.340 -0.000 0.000 0.290 299 L C -0.351 176.299 176.870 -0.366 0.000 1.044 299 L CA -0.436 54.306 54.840 -0.163 0.000 0.810 299 L CB 1.050 42.963 42.059 -0.244 0.000 1.193 299 L HN 0.472 nan 8.230 nan 0.000 0.425 300 V N 1.905 121.538 119.914 -0.468 0.000 3.166 300 V HA 0.782 4.902 4.120 -0.000 0.000 0.317 300 V C -1.340 174.345 176.094 -0.682 0.000 1.136 300 V CA -0.858 61.191 62.300 -0.418 0.000 1.035 300 V CB 1.734 33.482 31.823 -0.124 0.000 1.110 300 V HN 0.767 nan 8.190 nan 0.000 0.450 301 W N 0.647 121.986 121.300 0.065 0.000 2.883 301 W HA 0.768 5.428 4.660 -0.000 0.000 0.335 301 W C -0.245 176.314 176.519 0.067 0.000 1.083 301 W CA -0.420 56.981 57.345 0.094 0.000 1.233 301 W CB 1.459 31.010 29.460 0.152 0.000 1.412 301 W HN 0.927 nan 8.180 nan 0.000 0.490 302 Q N -0.056 119.892 119.800 0.246 0.000 2.385 302 Q HA 0.725 5.065 4.340 -0.000 0.000 0.262 302 Q C 0.259 176.237 176.000 -0.038 0.000 1.050 302 Q CA -0.697 55.194 55.803 0.147 0.000 0.903 302 Q CB 1.610 30.472 28.738 0.207 0.000 1.325 302 Q HN 0.467 nan 8.270 nan 0.000 0.485 303 S N -1.095 114.566 115.700 -0.064 0.000 3.561 303 S HA -0.226 4.244 4.470 -0.000 0.000 0.318 303 S C -0.261 174.130 174.600 -0.347 0.000 1.181 303 S CA 1.406 59.483 58.200 -0.206 0.000 0.916 303 S CB -2.168 60.778 63.200 -0.425 0.000 0.966 303 S HN 0.763 nan 8.310 nan 0.000 0.550 304 K N 0.710 120.812 120.400 -0.498 0.000 2.355 304 K HA 0.502 4.822 4.320 -0.000 0.000 0.270 304 K C 0.149 176.204 176.600 -0.908 0.000 1.003 304 K CA -0.260 55.235 56.287 -1.320 0.000 0.957 304 K CB 0.832 32.620 32.500 -1.187 0.000 0.939 304 K HN 0.344 nan 8.250 nan 0.000 0.482 305 V N -1.511 117.805 119.914 -0.996 0.000 2.876 305 V HA 0.871 4.991 4.120 -0.000 0.000 0.312 305 V C 0.175 176.243 176.094 -0.044 0.000 1.085 305 V CA 0.050 62.198 62.300 -0.252 0.000 0.945 305 V CB 0.695 32.568 31.823 0.082 0.000 1.017 305 V HN 1.312 nan 8.190 nan 0.000 0.428 306 G N 3.879 112.696 108.800 0.028 0.000 2.710 306 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.668 306 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.668 306 G C -1.754 173.202 174.900 0.094 0.000 1.320 306 G CA -0.045 45.125 45.100 0.116 0.000 0.860 306 G HN 1.027 nan 8.290 nan 0.000 0.538 307 P HA 0.246 nan 4.420 nan 0.000 0.267 307 P C 0.690 178.078 177.300 0.147 0.000 1.289 307 P CA 0.114 63.274 63.100 0.101 0.000 0.866 307 P CB 0.228 31.969 31.700 0.068 0.000 1.309 308 M N 1.064 120.800 119.600 0.226 0.000 2.226 308 M HA 0.287 4.767 4.480 -0.000 0.000 0.324 308 M C -2.239 174.252 176.300 0.318 0.000 1.112 308 M CA -2.547 52.884 55.300 0.218 0.000 1.176 308 M CB -1.023 31.687 32.600 0.184 0.000 1.430 308 M HN -0.223 nan 8.290 nan 0.000 0.462 309 P HA 0.133 nan 4.420 nan 0.000 0.271 309 P C -1.288 176.164 177.300 0.253 0.000 1.216 309 P CA 0.101 63.319 63.100 0.196 0.000 0.776 309 P CB 0.432 32.179 31.700 0.078 0.000 0.881 310 W N 1.922 123.216 121.300 -0.011 0.000 2.902 310 W HA 0.460 5.120 4.660 -0.000 0.000 0.346 310 W C -0.617 175.857 176.519 -0.074 0.000 1.139 310 W CA -0.732 56.596 57.345 -0.029 0.000 1.139 310 W CB 0.652 30.118 29.460 0.010 0.000 1.439 310 W HN 0.144 nan 8.180 nan 0.000 0.558 311 L N 2.616 123.876 121.223 0.061 0.000 2.462 311 L HA 0.574 4.914 4.340 -0.000 0.000 0.272 311 L C 0.275 177.083 176.870 -0.104 0.000 1.166 311 L CA 0.786 55.513 54.840 -0.188 0.000 0.880 311 L CB -0.498 41.208 42.059 -0.589 0.000 1.142 311 L HN 0.443 nan 8.230 nan 0.000 0.473 312 G N 4.979 113.781 108.800 0.004 0.000 2.932 312 G HA2 0.664 4.624 3.960 -0.000 0.000 0.283 312 G HA3 0.664 4.624 3.960 -0.000 0.000 0.283 312 G C -2.814 172.282 174.900 0.326 0.000 1.336 312 G CA -1.054 44.164 45.100 0.196 0.000 1.056 312 G HN 0.616 nan 8.290 nan 0.000 0.522 313 P HA 0.144 nan 4.420 nan 0.000 0.272 313 P C -0.698 176.752 177.300 0.251 0.000 1.223 313 P CA -0.050 63.178 63.100 0.214 0.000 0.784 313 P CB 1.037 32.815 31.700 0.129 0.000 0.923 314 Q N 0.179 120.062 119.800 0.139 0.000 2.340 314 Q HA 0.112 4.452 4.340 -0.000 0.000 0.249 314 Q C 1.379 177.382 176.000 0.004 0.000 0.957 314 Q CA -0.020 55.840 55.803 0.096 0.000 0.882 314 Q CB 0.324 29.079 28.738 0.028 0.000 1.235 314 Q HN 0.431 nan 8.270 nan 0.000 0.439 315 T N 1.230 115.769 114.554 -0.025 0.000 2.746 315 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 315 T C 1.134 175.616 174.700 -0.363 0.000 1.039 315 T CA 1.684 63.703 62.100 -0.134 0.000 1.142 315 T CB -0.221 68.618 68.868 -0.049 0.000 0.866 315 T HN 0.755 nan 8.240 nan 0.000 0.444 316 D N 2.130 122.181 120.400 -0.582 0.000 2.084 316 D HA -0.156 4.483 4.640 -0.000 0.000 0.194 316 D C 1.851 177.960 176.300 -0.318 0.000 0.990 316 D CA 1.260 54.817 54.000 -0.738 0.000 0.826 316 D CB -0.737 39.661 40.800 -0.669 0.000 0.971 316 D HN 0.466 nan 8.370 nan 0.000 0.453 317 E N 0.472 120.563 120.200 -0.181 0.000 2.118 317 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 317 E C 2.219 178.768 176.600 -0.084 0.000 0.992 317 E CA 1.296 57.639 56.400 -0.095 0.000 0.804 317 E CB -0.129 29.544 29.700 -0.045 0.000 0.741 317 E HN 0.226 nan 8.360 nan 0.000 0.458 318 S N 0.977 116.622 115.700 -0.092 0.000 2.368 318 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 318 S C 2.074 176.626 174.600 -0.081 0.000 1.029 318 S CA 0.728 58.887 58.200 -0.069 0.000 0.988 318 S CB -0.157 63.007 63.200 -0.061 0.000 0.838 318 S HN 0.190 nan 8.310 nan 0.000 0.462 319 I N 1.572 122.068 120.570 -0.123 0.000 2.113 319 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 319 I C 2.603 178.677 176.117 -0.071 0.000 1.070 319 I CA 1.410 62.650 61.300 -0.100 0.000 1.332 319 I CB -0.331 37.585 38.000 -0.139 0.000 1.044 319 I HN 0.261 nan 8.210 nan 0.000 0.402 320 K N 1.079 121.430 120.400 -0.083 0.000 2.063 320 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 320 K C 2.087 178.665 176.600 -0.037 0.000 1.048 320 K CA 1.697 57.953 56.287 -0.052 0.000 0.928 320 K CB -0.418 32.051 32.500 -0.052 0.000 0.713 320 K HN 0.394 nan 8.250 nan 0.000 0.442 321 G N 1.591 110.367 108.800 -0.041 0.000 2.480 321 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 321 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 321 G C 1.512 176.397 174.900 -0.025 0.000 1.200 321 G CA 1.045 46.128 45.100 -0.029 0.000 0.782 321 G HN 0.246 nan 8.290 nan 0.000 0.554 322 L N -0.267 120.938 121.223 -0.029 0.000 2.013 322 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 322 L C 3.046 179.905 176.870 -0.018 0.000 1.073 322 L CA 1.195 56.020 54.840 -0.025 0.000 0.753 322 L CB -0.665 41.377 42.059 -0.028 0.000 0.890 322 L HN 0.376 nan 8.230 nan 0.000 0.432 323 C N 0.458 119.748 119.300 -0.017 0.000 2.413 323 C HA -0.184 4.276 4.460 -0.000 0.000 0.276 323 C C 2.644 177.629 174.990 -0.008 0.000 1.236 323 C CA 1.304 60.316 59.018 -0.009 0.000 1.735 323 C CB -0.770 26.964 27.740 -0.010 0.000 2.031 323 C HN 0.515 nan 8.230 nan 0.000 0.474 324 E N -0.603 119.590 120.200 -0.011 0.000 2.347 324 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 324 E C 1.700 178.295 176.600 -0.008 0.000 1.008 324 E CA 0.599 56.994 56.400 -0.009 0.000 0.852 324 E CB -0.088 29.606 29.700 -0.010 0.000 0.783 324 E HN 0.636 nan 8.360 nan 0.000 0.505 325 R N -0.326 120.168 120.500 -0.010 0.000 2.426 325 R HA 0.140 4.480 4.340 -0.000 0.000 0.263 325 R C 0.765 177.060 176.300 -0.009 0.000 0.961 325 R CA 0.399 56.493 56.100 -0.010 0.000 1.086 325 R CB 0.753 31.046 30.300 -0.013 0.000 1.186 325 R HN 0.210 nan 8.270 nan 0.000 0.537 326 G N 1.297 110.093 108.800 -0.006 0.000 2.175 326 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 326 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 326 G C -0.032 174.866 174.900 -0.003 0.000 0.982 326 G CA -0.433 44.664 45.100 -0.003 0.000 0.641 326 G HN 0.129 nan 8.290 nan 0.000 0.527 327 R N 0.693 121.190 120.500 -0.006 0.000 2.522 327 R HA 0.366 4.706 4.340 -0.000 0.000 0.290 327 R C 0.760 177.063 176.300 0.004 0.000 1.216 327 R CA -0.588 55.509 56.100 -0.005 0.000 1.250 327 R CB 0.724 31.015 30.300 -0.016 0.000 1.143 327 R HN 0.236 nan 8.270 nan 0.000 0.553 328 K N 0.822 121.231 120.400 0.016 0.000 2.404 328 K HA 0.099 4.418 4.320 -0.000 0.000 0.194 328 K C -0.341 176.296 176.600 0.061 0.000 1.023 328 K CA 0.085 56.390 56.287 0.030 0.000 1.094 328 K CB 0.303 32.819 32.500 0.028 0.000 0.841 328 K HN 0.308 nan 8.250 nan 0.000 0.523 329 N N 1.098 119.835 118.700 0.063 0.000 2.518 329 N HA 0.384 5.124 4.740 -0.000 0.000 0.254 329 N C -1.091 174.447 175.510 0.048 0.000 0.979 329 N CA -0.257 52.867 53.050 0.123 0.000 0.930 329 N CB 1.327 39.878 38.487 0.107 0.000 1.152 329 N HN -0.057 nan 8.380 nan 0.000 0.505 330 I N 1.592 122.235 120.570 0.121 0.000 2.647 330 I HA 0.401 4.571 4.170 -0.000 0.000 0.295 330 I C -1.345 174.840 176.117 0.112 0.000 1.078 330 I CA -1.053 60.271 61.300 0.041 0.000 1.048 330 I CB 2.170 40.188 38.000 0.029 0.000 1.239 330 I HN 0.239 nan 8.210 nan 0.000 0.421 331 L N 7.005 128.217 121.223 -0.017 0.000 2.372 331 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 331 L C -1.189 175.635 176.870 -0.077 0.000 0.989 331 L CA -0.184 54.666 54.840 0.016 0.000 0.841 331 L CB 1.131 43.136 42.059 -0.089 0.000 1.225 331 L HN 0.430 nan 8.230 nan 0.000 0.414 332 L N 5.495 126.700 121.223 -0.029 0.000 2.371 332 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 332 L C -0.534 176.276 176.870 -0.100 0.000 1.124 332 L CA -0.733 54.067 54.840 -0.066 0.000 0.816 332 L CB 1.408 43.473 42.059 0.010 0.000 1.129 332 L HN 0.335 nan 8.230 nan 0.000 0.448 333 V N 3.355 123.159 119.914 -0.183 0.000 2.482 333 V HA 0.279 4.399 4.120 -0.000 0.000 0.295 333 V C -2.118 173.916 176.094 -0.099 0.000 1.026 333 V CA -1.238 60.962 62.300 -0.166 0.000 0.856 333 V CB 1.833 33.398 31.823 -0.430 0.000 1.001 333 V HN 0.626 nan 8.190 nan 0.000 0.424 334 P HA 0.151 nan 4.420 nan 0.000 0.230 334 P C 0.893 178.153 177.300 -0.067 0.000 1.791 334 P CA -0.033 63.080 63.100 0.020 0.000 1.020 334 P CB 0.541 32.406 31.700 0.274 0.000 1.977 335 I N 1.915 122.309 120.570 -0.294 0.000 2.657 335 I HA -0.202 3.968 4.170 -0.000 0.000 0.261 335 I C 1.824 177.773 176.117 -0.280 0.000 1.212 335 I CA 1.223 62.205 61.300 -0.530 0.000 1.453 335 I CB -0.328 37.430 38.000 -0.404 0.000 1.092 335 I HN 0.192 nan 8.210 nan 0.000 0.452 336 A N -1.399 121.255 122.820 -0.278 0.000 2.390 336 A HA 0.319 4.639 4.320 -0.000 0.000 0.232 336 A C 0.693 178.346 177.584 0.114 0.000 1.233 336 A CA -0.281 51.693 52.037 -0.106 0.000 0.907 336 A CB -0.307 18.672 19.000 -0.035 0.000 0.967 336 A HN 0.252 nan 8.150 nan 0.000 0.512 337 F N -0.770 119.342 119.950 0.271 0.000 2.440 337 F HA 0.399 4.926 4.527 -0.000 0.000 0.328 337 F C 1.604 177.483 175.800 0.131 0.000 1.070 337 F CA -0.224 57.918 58.000 0.237 0.000 1.011 337 F CB 1.857 40.993 39.000 0.228 0.000 1.226 337 F HN 0.044 nan 8.300 nan 0.000 0.491 338 T N -3.059 111.630 114.554 0.226 0.000 3.040 338 T HA 0.289 4.639 4.350 -0.000 0.000 0.266 338 T C -0.062 174.444 174.700 -0.322 0.000 1.005 338 T CA 0.167 62.193 62.100 -0.125 0.000 0.906 338 T CB -0.105 68.730 68.868 -0.055 0.000 1.082 338 T HN 0.637 nan 8.240 nan 0.000 0.531 339 S N -0.370 115.221 115.700 -0.182 0.000 2.615 339 S HA 0.461 4.931 4.470 -0.000 0.000 0.268 339 S C -2.145 172.203 174.600 -0.420 0.000 1.146 339 S CA -0.956 57.014 58.200 -0.384 0.000 0.818 339 S CB 1.147 64.212 63.200 -0.225 0.000 1.111 339 S HN 0.045 nan 8.310 nan 0.000 0.465 340 D N 1.347 121.463 120.400 -0.473 0.000 2.344 340 D HA 0.684 5.324 4.640 -0.000 0.000 0.244 340 D C 0.092 176.229 176.300 -0.271 0.000 1.134 340 D CA 0.903 54.673 54.000 -0.383 0.000 0.930 340 D CB 0.869 41.588 40.800 -0.135 0.000 1.175 340 D HN 0.826 nan 8.370 nan 0.000 0.437 341 H N -2.243 116.826 119.070 -0.002 0.000 2.886 341 H HA 0.121 4.677 4.556 -0.000 0.000 0.259 341 H C 0.679 175.998 175.328 -0.014 0.000 1.492 341 H CA -0.720 55.338 56.048 0.017 0.000 1.163 341 H CB -0.179 29.552 29.762 -0.052 0.000 1.872 341 H HN 0.268 nan 8.280 nan 0.000 0.631 342 I N 0.251 120.968 120.570 0.245 0.000 2.248 342 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 342 I C 1.283 177.449 176.117 0.082 0.000 1.107 342 I CA 1.526 62.845 61.300 0.033 0.000 1.373 342 I CB -0.156 37.688 38.000 -0.260 0.000 1.055 342 I HN 0.449 nan 8.210 nan 0.000 0.418 343 K N 0.154 120.670 120.400 0.192 0.000 2.280 343 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 343 K C 1.807 178.461 176.600 0.091 0.000 1.047 343 K CA 1.833 58.198 56.287 0.130 0.000 0.942 343 K CB -0.528 31.999 32.500 0.046 0.000 0.739 343 K HN 0.608 nan 8.250 nan 0.000 0.457 344 T N -2.189 112.349 114.554 -0.027 0.000 3.151 344 T HA 0.141 4.491 4.350 -0.000 0.000 0.239 344 T C 2.157 176.827 174.700 -0.051 0.000 0.979 344 T CA -0.275 61.811 62.100 -0.024 0.000 1.194 344 T CB -0.485 68.330 68.868 -0.088 0.000 0.982 344 T HN -0.029 nan 8.240 nan 0.000 0.428 345 L N -0.596 120.601 121.223 -0.044 0.000 2.127 345 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 345 L C 2.520 179.372 176.870 -0.030 0.000 1.089 345 L CA 1.797 56.625 54.840 -0.019 0.000 0.757 345 L CB -0.481 41.598 42.059 0.033 0.000 0.899 345 L HN 0.314 nan 8.230 nan 0.000 0.434 346 Y N -0.337 119.896 120.300 -0.112 0.000 2.447 346 Y HA -0.020 4.530 4.550 -0.000 0.000 0.286 346 Y C 2.601 178.379 175.900 -0.203 0.000 1.153 346 Y CA 0.817 58.829 58.100 -0.147 0.000 1.241 346 Y CB 0.109 38.459 38.460 -0.183 0.000 1.284 346 Y HN -0.029 nan 8.280 nan 0.000 0.520 347 E N 0.309 120.410 120.200 -0.166 0.000 2.023 347 E HA -0.209 4.140 4.350 -0.000 0.000 0.196 347 E C 2.077 178.258 176.600 -0.699 0.000 1.003 347 E CA 1.953 58.101 56.400 -0.420 0.000 0.809 347 E CB -0.262 29.299 29.700 -0.232 0.000 0.755 347 E HN 0.482 nan 8.360 nan 0.000 0.449 348 L N 0.613 121.637 121.223 -0.332 0.000 2.049 348 L HA -0.152 4.187 4.340 -0.000 0.000 0.203 348 L C 2.212 178.994 176.870 -0.146 0.000 1.074 348 L CA 0.904 55.649 54.840 -0.158 0.000 0.749 348 L CB -0.370 41.703 42.059 0.025 0.000 0.907 348 L HN 0.093 nan 8.230 nan 0.000 0.439 349 D N 0.085 120.387 120.400 -0.163 0.000 2.117 349 D HA -0.082 4.557 4.640 -0.000 0.000 0.198 349 D C 2.222 178.398 176.300 -0.207 0.000 0.982 349 D CA 1.328 55.241 54.000 -0.146 0.000 0.828 349 D CB 0.208 40.939 40.800 -0.114 0.000 0.967 349 D HN 0.301 nan 8.370 nan 0.000 0.464 350 I N 0.212 120.560 120.570 -0.370 0.000 2.726 350 I HA -0.058 4.112 4.170 -0.000 0.000 0.243 350 I C 2.408 178.263 176.117 -0.437 0.000 1.082 350 I CA 0.184 61.223 61.300 -0.435 0.000 1.447 350 I CB -0.033 37.570 38.000 -0.662 0.000 1.250 350 I HN -0.137 nan 8.210 nan 0.000 0.453 351 E N 0.584 120.383 120.200 -0.668 0.000 2.038 351 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 351 E C 2.150 178.687 176.600 -0.105 0.000 1.000 351 E CA 1.992 58.138 56.400 -0.423 0.000 0.803 351 E CB 0.056 29.430 29.700 -0.543 0.000 0.750 351 E HN 0.401 nan 8.360 nan 0.000 0.448 352 Y N -0.437 119.789 120.300 -0.123 0.000 2.301 352 Y HA 0.128 4.678 4.550 -0.000 0.000 0.295 352 Y C 2.627 178.488 175.900 -0.066 0.000 1.126 352 Y CA 0.431 58.488 58.100 -0.071 0.000 1.154 352 Y CB -0.647 37.785 38.460 -0.047 0.000 1.075 352 Y HN -0.046 nan 8.280 nan 0.000 0.534 353 S N -0.133 115.610 115.700 0.072 0.000 2.402 353 S HA -0.143 4.326 4.470 -0.000 0.000 0.229 353 S C 1.771 176.362 174.600 -0.016 0.000 1.021 353 S CA 1.296 59.507 58.200 0.018 0.000 0.974 353 S CB -0.109 63.082 63.200 -0.016 0.000 0.800 353 S HN 0.504 nan 8.310 nan 0.000 0.484 354 Q N -0.155 119.617 119.800 -0.046 0.000 2.240 354 Q HA 0.115 4.455 4.340 -0.000 0.000 0.194 354 Q C 2.308 178.292 176.000 -0.027 0.000 0.982 354 Q CA 0.602 56.376 55.803 -0.048 0.000 0.842 354 Q CB -0.329 28.362 28.738 -0.077 0.000 0.941 354 Q HN 0.257 nan 8.270 nan 0.000 0.516 355 V N 1.696 121.591 119.914 -0.031 0.000 2.214 355 V HA -0.274 3.846 4.120 -0.000 0.000 0.244 355 V C 2.297 178.402 176.094 0.019 0.000 1.045 355 V CA 1.920 64.218 62.300 -0.004 0.000 0.993 355 V CB -0.749 31.074 31.823 0.000 0.000 0.633 355 V HN 0.329 nan 8.190 nan 0.000 0.449 356 L N 1.013 122.266 121.223 0.050 0.000 2.013 356 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 356 L C 2.392 179.278 176.870 0.025 0.000 1.073 356 L CA 2.557 57.427 54.840 0.050 0.000 0.753 356 L CB -1.101 41.010 42.059 0.088 0.000 0.890 356 L HN 0.275 nan 8.230 nan 0.000 0.432 357 A N -1.101 121.735 122.820 0.027 0.000 2.024 357 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 357 A C 2.278 179.866 177.584 0.006 0.000 1.164 357 A CA 1.964 54.010 52.037 0.014 0.000 0.643 357 A CB -0.537 18.471 19.000 0.014 0.000 0.806 357 A HN 0.499 nan 8.150 nan 0.000 0.451 358 K N 0.732 121.135 120.400 0.004 0.000 1.991 358 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 358 K C 1.868 178.470 176.600 0.002 0.000 1.038 358 K CA 1.679 57.966 56.287 0.000 0.000 0.943 358 K CB -0.540 31.959 32.500 -0.002 0.000 0.736 358 K HN 0.617 nan 8.250 nan 0.000 0.440 359 E N -0.148 120.055 120.200 0.005 0.000 2.301 359 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 359 E C 1.695 178.296 176.600 0.003 0.000 1.017 359 E CA 1.532 57.935 56.400 0.005 0.000 0.831 359 E CB -0.715 28.990 29.700 0.008 0.000 0.742 359 E HN 0.549 nan 8.360 nan 0.000 0.491 360 C N -1.254 118.047 119.300 0.002 0.000 3.070 360 C HA 0.639 5.099 4.460 -0.000 0.000 0.280 360 C C 1.397 176.388 174.990 0.001 0.000 1.264 360 C CA -0.232 58.785 59.018 -0.000 0.000 1.690 360 C CB -0.558 27.180 27.740 -0.004 0.000 2.049 360 C HN 0.521 nan 8.230 nan 0.000 0.636 361 G N 2.164 110.966 108.800 0.002 0.000 2.415 361 G HA2 0.025 3.985 3.960 -0.000 0.000 0.283 361 G HA3 0.025 3.985 3.960 -0.000 0.000 0.283 361 G C -0.333 174.571 174.900 0.006 0.000 1.014 361 G CA 0.396 45.497 45.100 0.003 0.000 1.323 361 G HN 1.829 nan 8.290 nan 0.000 0.502 362 V N -1.400 118.519 119.914 0.008 0.000 2.785 362 V HA 0.654 4.774 4.120 -0.000 0.000 0.300 362 V C 1.211 177.316 176.094 0.018 0.000 1.062 362 V CA 0.195 62.505 62.300 0.017 0.000 1.029 362 V CB 1.702 33.538 31.823 0.022 0.000 1.024 362 V HN 0.502 nan 8.190 nan 0.000 0.477 363 E N 2.562 122.781 120.200 0.033 0.000 2.021 363 E HA 0.048 4.398 4.350 -0.000 0.000 0.189 363 E C -0.250 176.366 176.600 0.026 0.000 0.980 363 E CA 1.292 57.711 56.400 0.032 0.000 0.803 363 E CB 0.097 29.827 29.700 0.050 0.000 0.766 363 E HN 0.884 nan 8.360 nan 0.000 0.449 364 N N -0.019 118.723 118.700 0.070 0.000 2.478 364 N HA 0.359 5.099 4.740 -0.000 0.000 0.291 364 N C -1.444 174.154 175.510 0.146 0.000 1.090 364 N CA -0.212 52.856 53.050 0.031 0.000 0.911 364 N CB 2.585 41.042 38.487 -0.049 0.000 1.546 364 N HN 0.005 nan 8.380 nan 0.000 0.500 365 I N 1.888 122.487 120.570 0.049 0.000 2.468 365 I HA 0.518 4.688 4.170 -0.000 0.000 0.285 365 I C -1.070 175.075 176.117 0.047 0.000 1.039 365 I CA -0.406 60.958 61.300 0.107 0.000 1.074 365 I CB 0.544 38.581 38.000 0.063 0.000 1.228 365 I HN 0.429 nan 8.210 nan 0.000 0.436 366 R N 5.669 126.252 120.500 0.138 0.000 2.930 366 R HA 0.658 4.998 4.340 -0.000 0.000 0.257 366 R C -1.051 175.300 176.300 0.086 0.000 1.107 366 R CA -1.129 55.003 56.100 0.053 0.000 0.999 366 R CB 2.179 32.477 30.300 -0.004 0.000 1.209 366 R HN 0.510 nan 8.270 nan 0.000 0.486 367 R N 0.352 120.875 120.500 0.038 0.000 2.575 367 R HA 0.495 4.835 4.340 -0.000 0.000 0.293 367 R C -1.211 175.114 176.300 0.041 0.000 0.983 367 R CA -0.467 55.654 56.100 0.036 0.000 0.887 367 R CB 1.984 32.296 30.300 0.019 0.000 1.184 367 R HN 0.787 nan 8.270 nan 0.000 0.445 368 A N 3.667 126.526 122.820 0.065 0.000 2.511 368 A HA 0.089 4.409 4.320 -0.000 0.000 0.242 368 A C 0.150 177.785 177.584 0.085 0.000 1.069 368 A CA -0.143 51.955 52.037 0.102 0.000 0.763 368 A CB 0.080 19.180 19.000 0.166 0.000 1.001 368 A HN 0.870 nan 8.150 nan 0.000 0.498 369 E N 2.783 122.986 120.200 0.005 0.000 2.418 369 E HA 0.243 4.593 4.350 -0.000 0.000 0.261 369 E C -0.301 176.335 176.600 0.060 0.000 1.070 369 E CA -0.138 56.227 56.400 -0.058 0.000 0.931 369 E CB 0.386 29.958 29.700 -0.213 0.000 0.954 369 E HN 0.462 nan 8.360 nan 0.000 0.439 370 S N 2.289 117.946 115.700 -0.071 0.000 2.584 370 S HA 0.040 4.510 4.470 -0.000 0.000 0.270 370 S C 1.435 175.904 174.600 -0.218 0.000 1.346 370 S CA -0.645 57.473 58.200 -0.137 0.000 1.018 370 S CB 0.564 63.596 63.200 -0.281 0.000 0.899 370 S HN 0.538 nan 8.310 nan 0.000 0.542 371 L N 1.380 122.360 121.223 -0.405 0.000 2.043 371 L HA -0.258 4.081 4.340 -0.000 0.000 0.212 371 L C 1.499 178.050 176.870 -0.531 0.000 1.075 371 L CA 1.036 55.540 54.840 -0.559 0.000 0.752 371 L CB -1.034 40.451 42.059 -0.957 0.000 0.891 371 L HN 0.645 nan 8.230 nan 0.000 0.432 372 N N -0.150 118.101 118.700 -0.748 0.000 1.238 372 N HA -0.286 4.454 4.740 -0.000 0.000 0.139 372 N C 1.141 176.412 175.510 -0.399 0.000 0.512 372 N CA 2.229 54.691 53.050 -0.981 0.000 1.011 372 N CB -1.518 35.910 38.487 -1.766 0.000 1.386 372 N HN 0.405 nan 8.380 nan 0.000 0.471 373 G N 0.729 109.398 108.800 -0.218 0.000 3.141 373 G HA2 0.037 3.997 3.960 -0.000 0.000 0.218 373 G HA3 0.037 3.997 3.960 -0.000 0.000 0.218 373 G C 0.346 175.296 174.900 0.083 0.000 1.170 373 G CA 0.136 45.316 45.100 0.133 0.000 0.769 373 G HN 0.636 nan 8.290 nan 0.000 0.546 374 N N 1.046 119.764 118.700 0.029 0.000 2.411 374 N HA 0.084 4.824 4.740 -0.000 0.000 0.265 374 N C -1.207 174.368 175.510 0.109 0.000 1.266 374 N CA -1.076 52.024 53.050 0.082 0.000 0.889 374 N CB 1.462 40.003 38.487 0.090 0.000 1.069 374 N HN -0.105 nan 8.380 nan 0.000 0.476 375 P HA -0.188 nan 4.420 nan 0.000 0.216 375 P C 1.285 178.620 177.300 0.059 0.000 1.150 375 P CA 0.585 63.727 63.100 0.070 0.000 0.843 375 P CB 0.178 31.910 31.700 0.053 0.000 0.787 376 L N -1.779 119.482 121.223 0.063 0.000 2.127 376 L HA -0.118 4.221 4.340 -0.000 0.000 0.211 376 L C 2.127 179.016 176.870 0.032 0.000 1.089 376 L CA 1.573 56.437 54.840 0.041 0.000 0.757 376 L CB -1.322 40.762 42.059 0.042 0.000 0.899 376 L HN -0.098 nan 8.230 nan 0.000 0.434 377 F N -0.956 118.945 119.950 -0.082 0.000 2.113 377 F HA -0.190 4.337 4.527 -0.000 0.000 0.297 377 F C 2.512 178.250 175.800 -0.104 0.000 1.103 377 F CA 1.627 59.565 58.000 -0.103 0.000 1.248 377 F CB -0.196 38.734 39.000 -0.116 0.000 0.999 377 F HN 0.003 nan 8.300 nan 0.000 0.475 378 S N 0.175 115.860 115.700 -0.026 0.000 2.383 378 S HA -0.255 4.215 4.470 -0.000 0.000 0.229 378 S C 1.966 176.459 174.600 -0.178 0.000 1.030 378 S CA 1.559 59.688 58.200 -0.118 0.000 1.002 378 S CB -0.373 62.819 63.200 -0.014 0.000 0.829 378 S HN 0.362 nan 8.310 nan 0.000 0.467 379 K N 1.044 121.369 120.400 -0.125 0.000 2.148 379 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 379 K C 2.099 178.587 176.600 -0.186 0.000 1.050 379 K CA 0.994 57.216 56.287 -0.108 0.000 0.942 379 K CB -0.255 32.220 32.500 -0.042 0.000 0.724 379 K HN 0.297 nan 8.250 nan 0.000 0.446 380 A N 1.147 123.782 122.820 -0.308 0.000 1.873 380 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 380 A C 2.050 179.243 177.584 -0.653 0.000 1.186 380 A CA 1.104 52.824 52.037 -0.528 0.000 0.616 380 A CB -0.577 18.084 19.000 -0.565 0.000 0.823 380 A HN 0.281 nan 8.150 nan 0.000 0.442 381 L N -0.690 120.153 121.223 -0.635 0.000 2.012 381 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 381 L C 3.110 179.863 176.870 -0.195 0.000 1.073 381 L CA 1.263 55.845 54.840 -0.429 0.000 0.748 381 L CB -0.626 41.171 42.059 -0.437 0.000 0.891 381 L HN 0.445 nan 8.230 nan 0.000 0.431 382 A N -0.225 122.480 122.820 -0.192 0.000 1.933 382 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 382 A C 1.949 179.476 177.584 -0.095 0.000 1.175 382 A CA 2.089 54.046 52.037 -0.133 0.000 0.628 382 A CB -0.628 18.298 19.000 -0.124 0.000 0.814 382 A HN 0.464 nan 8.150 nan 0.000 0.444 383 D N -0.483 119.856 120.400 -0.102 0.000 2.178 383 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 383 D C 1.810 178.100 176.300 -0.015 0.000 0.974 383 D CA 0.937 54.941 54.000 0.008 0.000 0.841 383 D CB -0.127 40.725 40.800 0.086 0.000 0.953 383 D HN 0.431 nan 8.370 nan 0.000 0.478 384 L N -0.479 120.628 121.223 -0.193 0.000 2.027 384 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 384 L C 2.496 179.201 176.870 -0.274 0.000 1.074 384 L CA 0.575 55.252 54.840 -0.272 0.000 0.745 384 L CB -0.317 41.404 42.059 -0.562 0.000 0.898 384 L HN 0.039 nan 8.230 nan 0.000 0.433 385 V N -0.845 118.881 119.914 -0.314 0.000 2.295 385 V HA -0.358 3.762 4.120 -0.000 0.000 0.246 385 V C 2.381 178.498 176.094 0.039 0.000 1.049 385 V CA 2.044 64.227 62.300 -0.195 0.000 1.024 385 V CB -0.840 30.894 31.823 -0.148 0.000 0.648 385 V HN 0.535 nan 8.190 nan 0.000 0.447 386 H N 0.061 119.086 119.070 -0.074 0.000 2.290 386 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 386 H C 2.546 177.868 175.328 -0.010 0.000 1.087 386 H CA 1.616 57.646 56.048 -0.029 0.000 1.291 386 H CB 0.220 29.962 29.762 -0.034 0.000 1.369 386 H HN 0.420 nan 8.280 nan 0.000 0.492 387 S N -0.643 115.055 115.700 -0.003 0.000 2.370 387 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 387 S C 1.882 176.474 174.600 -0.013 0.000 1.033 387 S CA 1.531 59.691 58.200 -0.066 0.000 1.011 387 S CB -0.507 62.686 63.200 -0.011 0.000 0.852 387 S HN 0.594 nan 8.310 nan 0.000 0.457 388 H N 1.579 120.605 119.070 -0.074 0.000 2.319 388 H HA 0.007 4.563 4.556 -0.000 0.000 0.299 388 H C 1.836 177.148 175.328 -0.027 0.000 1.092 388 H CA 1.874 57.882 56.048 -0.067 0.000 1.302 388 H CB -0.473 29.212 29.762 -0.128 0.000 1.373 388 H HN 0.361 nan 8.280 nan 0.000 0.497 389 I N 0.224 120.764 120.570 -0.051 0.000 2.226 389 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 389 I C 2.414 178.487 176.117 -0.072 0.000 1.100 389 I CA 1.603 62.866 61.300 -0.062 0.000 1.374 389 I CB -0.406 37.651 38.000 0.095 0.000 1.057 389 I HN 0.442 nan 8.210 nan 0.000 0.413 390 Q N 0.283 120.052 119.800 -0.052 0.000 2.167 390 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 390 Q C 2.378 178.327 176.000 -0.085 0.000 0.970 390 Q CA 1.872 57.631 55.803 -0.073 0.000 0.855 390 Q CB -0.130 28.522 28.738 -0.142 0.000 0.911 390 Q HN 0.604 nan 8.270 nan 0.000 0.438 391 S N -0.140 115.498 115.700 -0.103 0.000 2.461 391 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 391 S C 0.609 175.148 174.600 -0.101 0.000 1.005 391 S CA 0.751 58.899 58.200 -0.087 0.000 0.942 391 S CB -0.063 63.098 63.200 -0.065 0.000 0.776 391 S HN 0.470 nan 8.310 nan 0.000 0.514 392 N N 1.378 119.983 118.700 -0.158 0.000 2.753 392 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 392 N C -0.424 175.008 175.510 -0.129 0.000 1.097 392 N CA 1.099 54.063 53.050 -0.144 0.000 0.786 392 N CB -1.455 36.986 38.487 -0.077 0.000 1.137 392 N HN 0.961 nan 8.380 nan 0.000 0.566 393 E N -0.147 119.961 120.200 -0.153 0.000 2.383 393 E HA 0.207 4.557 4.350 -0.000 0.000 0.264 393 E C 0.517 177.118 176.600 0.002 0.000 1.050 393 E CA -0.419 55.953 56.400 -0.046 0.000 0.896 393 E CB 0.660 30.369 29.700 0.016 0.000 0.982 393 E HN 0.072 nan 8.360 nan 0.000 0.424 394 L N 1.463 122.743 121.223 0.096 0.000 2.354 394 L HA 0.164 4.504 4.340 -0.000 0.000 0.212 394 L C 0.537 177.559 176.870 0.254 0.000 1.091 394 L CA 0.742 55.696 54.840 0.190 0.000 0.828 394 L CB -0.360 41.796 42.059 0.161 0.000 0.973 394 L HN 0.953 nan 8.230 nan 0.000 0.461 395 C N -4.727 114.680 119.300 0.178 0.000 3.216 395 C HA 0.595 5.055 4.460 -0.000 0.000 0.346 395 C C 0.294 175.333 174.990 0.081 0.000 1.384 395 C CA -1.046 58.039 59.018 0.112 0.000 1.208 395 C CB 0.658 28.429 27.740 0.051 0.000 1.483 395 C HN 0.253 nan 8.230 nan 0.000 0.453 396 S N 0.624 116.352 115.700 0.046 0.000 2.589 396 S HA 0.301 4.770 4.470 -0.000 0.000 0.265 396 S C 0.814 175.421 174.600 0.011 0.000 1.342 396 S CA 0.567 58.788 58.200 0.036 0.000 1.005 396 S CB 0.921 64.136 63.200 0.025 0.000 0.909 396 S HN 1.166 nan 8.310 nan 0.000 0.555 397 K N 0.395 120.801 120.400 0.010 0.000 2.211 397 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 397 K C 2.127 178.712 176.600 -0.024 0.000 1.050 397 K CA 1.328 57.615 56.287 0.000 0.000 0.945 397 K CB -0.340 32.163 32.500 0.005 0.000 0.732 397 K HN 0.590 nan 8.250 nan 0.000 0.451 398 Q N 0.011 119.784 119.800 -0.045 0.000 2.170 398 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 398 Q C 1.898 177.809 176.000 -0.148 0.000 0.976 398 Q CA 0.959 56.708 55.803 -0.090 0.000 0.858 398 Q CB -0.264 28.410 28.738 -0.108 0.000 0.907 398 Q HN 0.292 nan 8.270 nan 0.000 0.433 399 L N 1.098 122.229 121.223 -0.154 0.000 2.275 399 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 399 L C 2.058 178.887 176.870 -0.069 0.000 1.119 399 L CA 1.822 56.559 54.840 -0.170 0.000 0.790 399 L CB -0.587 41.395 42.059 -0.130 0.000 0.919 399 L HN 0.263 nan 8.230 nan 0.000 0.443 400 T N -2.979 111.555 114.554 -0.034 0.000 3.160 400 T HA 0.023 4.372 4.350 -0.000 0.000 0.257 400 T C 0.469 175.162 174.700 -0.012 0.000 1.147 400 T CA 0.048 62.146 62.100 -0.003 0.000 1.064 400 T CB -0.396 68.477 68.868 0.009 0.000 0.949 400 T HN 0.086 nan 8.240 nan 0.000 0.526 401 L N 1.814 123.016 121.223 -0.034 0.000 2.345 401 L HA 0.604 4.944 4.340 -0.000 0.000 0.274 401 L C -0.500 176.350 176.870 -0.032 0.000 0.999 401 L CA -0.568 54.255 54.840 -0.028 0.000 0.849 401 L CB 1.612 43.653 42.059 -0.030 0.000 1.220 401 L HN 0.022 nan 8.230 nan 0.000 0.422 402 S N 2.392 118.084 115.700 -0.013 0.000 2.614 402 S HA 0.311 4.781 4.470 -0.000 0.000 0.265 402 S C 0.053 174.654 174.600 0.003 0.000 1.303 402 S CA -0.609 57.591 58.200 0.000 0.000 1.000 402 S CB 0.568 63.771 63.200 0.006 0.000 0.935 402 S HN 0.789 nan 8.310 nan 0.000 0.551 403 C N 3.114 122.423 119.300 0.016 0.000 2.563 403 C HA 0.068 4.528 4.460 -0.000 0.000 0.411 403 C C -0.677 174.314 174.990 0.003 0.000 1.386 403 C CA -0.750 58.276 59.018 0.013 0.000 1.703 403 C CB -0.770 26.979 27.740 0.015 0.000 2.596 403 C HN 0.716 nan 8.230 nan 0.000 0.605 404 P HA -0.067 nan 4.420 nan 0.000 0.218 404 P C 0.618 177.914 177.300 -0.005 0.000 1.148 404 P CA 1.363 64.461 63.100 -0.003 0.000 0.822 404 P CB 0.081 31.779 31.700 -0.004 0.000 0.784 405 L N -1.805 119.414 121.223 -0.007 0.000 3.062 405 L HA 0.212 4.552 4.340 -0.000 0.000 0.255 405 L C 0.362 177.225 176.870 -0.011 0.000 1.274 405 L CA -0.754 54.080 54.840 -0.011 0.000 1.047 405 L CB -0.086 41.965 42.059 -0.015 0.000 1.402 405 L HN -0.034 nan 8.230 nan 0.000 0.550 406 C N 1.239 120.535 119.300 -0.007 0.000 2.634 406 C HA 0.201 4.660 4.460 -0.000 0.000 0.418 406 C C 1.696 176.681 174.990 -0.010 0.000 1.373 406 C CA -0.064 58.950 59.018 -0.007 0.000 1.756 406 C CB 0.241 27.980 27.740 -0.001 0.000 2.589 406 C HN 0.459 nan 8.230 nan 0.000 0.602 407 V N 3.607 123.513 119.914 -0.012 0.000 3.166 407 V HA 0.358 4.478 4.120 -0.000 0.000 0.332 407 V C 0.313 176.401 176.094 -0.011 0.000 1.434 407 V CA -0.031 62.262 62.300 -0.012 0.000 1.121 407 V CB -0.817 30.998 31.823 -0.013 0.000 1.062 407 V HN 0.859 nan 8.190 nan 0.000 0.489 408 N N 3.174 121.868 118.700 -0.012 0.000 2.485 408 N HA 0.405 5.145 4.740 -0.000 0.000 0.243 408 N C -1.300 174.200 175.510 -0.017 0.000 0.987 408 N CA -1.697 51.346 53.050 -0.012 0.000 0.940 408 N CB 2.341 40.821 38.487 -0.012 0.000 1.122 408 N HN 0.188 nan 8.380 nan 0.000 0.509 409 P HA -0.105 nan 4.420 nan 0.000 0.221 409 P C 1.218 178.485 177.300 -0.055 0.000 1.145 409 P CA 0.651 63.737 63.100 -0.023 0.000 0.795 409 P CB 0.636 32.332 31.700 -0.007 0.000 0.775 410 V N 0.031 119.912 119.914 -0.054 0.000 2.453 410 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 410 V C 2.932 178.918 176.094 -0.179 0.000 1.048 410 V CA 1.580 63.806 62.300 -0.123 0.000 1.049 410 V CB -1.552 30.254 31.823 -0.029 0.000 0.672 410 V HN 0.177 nan 8.190 nan 0.000 0.457 411 C N -0.157 119.095 119.300 -0.080 0.000 2.349 411 C HA -0.295 4.165 4.460 -0.000 0.000 0.274 411 C C 2.942 177.896 174.990 -0.061 0.000 1.178 411 C CA 2.021 61.014 59.018 -0.043 0.000 1.769 411 C CB -1.126 26.610 27.740 -0.007 0.000 2.047 411 C HN 0.531 nan 8.230 nan 0.000 0.448 412 R N 0.339 120.798 120.500 -0.068 0.000 2.091 412 R HA -0.127 4.212 4.340 -0.000 0.000 0.238 412 R C 2.272 178.511 176.300 -0.102 0.000 1.136 412 R CA 1.397 57.464 56.100 -0.055 0.000 0.959 412 R CB -0.218 30.057 30.300 -0.042 0.000 0.856 412 R HN 0.565 nan 8.270 nan 0.000 0.437 413 E N -0.427 119.627 120.200 -0.242 0.000 2.085 413 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 413 E C 1.938 178.272 176.600 -0.444 0.000 0.994 413 E CA 1.724 57.855 56.400 -0.448 0.000 0.801 413 E CB -0.320 28.806 29.700 -0.956 0.000 0.743 413 E HN 0.352 nan 8.360 nan 0.000 0.453 414 T N 1.227 115.544 114.554 -0.395 0.000 2.821 414 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 414 T C 1.913 176.769 174.700 0.259 0.000 1.046 414 T CA 1.598 63.674 62.100 -0.040 0.000 1.139 414 T CB -0.037 68.858 68.868 0.046 0.000 0.871 414 T HN 0.161 nan 8.240 nan 0.000 0.454 415 K N 1.509 121.998 120.400 0.148 0.000 2.002 415 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 415 K C 2.457 179.183 176.600 0.209 0.000 1.048 415 K CA 1.832 58.234 56.287 0.192 0.000 0.930 415 K CB -0.222 32.330 32.500 0.086 0.000 0.714 415 K HN 0.400 nan 8.250 nan 0.000 0.438 416 S N -0.161 115.615 115.700 0.125 0.000 2.453 416 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 416 S C 1.822 176.487 174.600 0.109 0.000 1.005 416 S CA 0.548 58.808 58.200 0.100 0.000 0.949 416 S CB -0.594 62.640 63.200 0.057 0.000 0.774 416 S HN 0.435 nan 8.310 nan 0.000 0.510 417 F N 1.873 121.817 119.950 -0.010 0.000 2.134 417 F HA 0.042 4.569 4.527 -0.000 0.000 0.299 417 F C 1.488 177.139 175.800 -0.249 0.000 1.097 417 F CA 1.202 59.109 58.000 -0.155 0.000 1.264 417 F CB -0.313 38.531 39.000 -0.260 0.000 1.001 417 F HN 0.192 nan 8.300 nan 0.000 0.479 418 F N -0.110 119.905 119.950 0.108 0.000 2.446 418 F HA -0.007 4.519 4.527 -0.000 0.000 0.292 418 F C 2.601 178.413 175.800 0.021 0.000 1.096 418 F CA 1.142 59.174 58.000 0.053 0.000 1.438 418 F CB -1.176 37.945 39.000 0.202 0.000 1.107 418 F HN -0.064 nan 8.300 nan 0.000 0.546 419 T N -3.221 111.457 114.554 0.205 0.000 3.098 419 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 419 T C 0.847 175.574 174.700 0.045 0.000 1.145 419 T CA 0.626 62.796 62.100 0.117 0.000 1.092 419 T CB -0.431 68.495 68.868 0.096 0.000 0.908 419 T HN 0.003 nan 8.240 nan 0.000 0.526 420 S N 2.206 117.901 115.700 -0.009 0.000 2.457 420 S HA 0.428 4.898 4.470 -0.000 0.000 0.216 420 S C -0.599 173.946 174.600 -0.092 0.000 1.392 420 S CA -0.761 57.409 58.200 -0.049 0.000 1.102 420 S CB 0.375 63.536 63.200 -0.064 0.000 1.114 420 S HN 0.339 nan 8.310 nan 0.000 0.484 421 Q N 1.669 121.443 119.800 -0.043 0.000 2.309 421 Q HA 0.257 4.597 4.340 -0.000 0.000 0.273 421 Q C -0.588 175.400 176.000 -0.020 0.000 1.040 421 Q CA -0.498 55.279 55.803 -0.043 0.000 0.834 421 Q CB 2.036 30.767 28.738 -0.011 0.000 1.345 421 Q HN 0.660 nan 8.270 nan 0.000 0.414 422 Q N 2.088 121.872 119.800 -0.027 0.000 2.469 422 Q HA 0.223 4.563 4.340 -0.000 0.000 0.279 422 Q C -0.202 175.787 176.000 -0.018 0.000 1.097 422 Q CA 0.378 56.168 55.803 -0.022 0.000 0.951 422 Q CB 0.429 29.152 28.738 -0.025 0.000 1.297 422 Q HN 0.651 nan 8.270 nan 0.000 0.465 423 L N 0.000 121.212 121.223 -0.018 0.000 2.949 423 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 423 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 423 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 423 L HN 0.000 nan 8.230 nan 0.000 0.502