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 2j5c_1_A DATA FIRST_RESID 84 DATA SEQUENCE HLMRAAGMID QVKMMLQEEV DSIRRLELID DLRRLGISCH FEREIVEILN DATA SEQUENCE SKYYTNNEID ERDLYSTALR FRLLRQYDFS VSQEVFDCFK NAKGTDFKPS DATA SEQUENCE LVDDTRGLLQ LYEASFLSAQ GEETLRLARD FATKFLQKRV XXXXDINLLS DATA SEQUENCE SIERALELPT HWRVQMPNAR SFIDAYKRRP DMNPTVLELA KLDFNMVQAQ DATA SEQUENCE FQQELKEASR WWNSTGLVHE LPXXRDRIVE CYYWTTGVVE RRQHGYERIM DATA SEQUENCE LTKINALVTT IDDVFDIYGT LEELQLFTTA IQRWDIESMK QLPPYMQICY DATA SEQUENCE LALFNFVNEM AYDTLRDKGF DSTPYLRKVW VGLIESYLIE AKWYYKGHKP DATA SEQUENCE SLEEYMKNSW ISIGGIPILS HLFFRLTDSI EEEAAESMHK YHDIVRASCT DATA SEQUENCE ILRLADDMGT XXXXXXXXXX PKSVQCYXXX XXXSEEEARE HVRSLIDQTW DATA SEQUENCE KMMNKEMMTS SFSKYFVEVS ANLARMAQWI YQHESDGFGX QHSLVNKMLR DATA SEQUENCE DLLFHRYE 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 84 H HA 0.000 nan 4.556 nan 0.000 0.296 84 H C 0.000 175.336 175.328 0.014 0.000 0.993 84 H CA 0.000 56.061 56.048 0.021 0.000 1.023 84 H CB 0.000 29.776 29.762 0.022 0.000 1.292 85 L N 1.103 122.332 121.223 0.010 0.000 2.240 85 L HA -0.081 4.258 4.340 -0.001 0.000 0.211 85 L C 2.935 179.805 176.870 -0.001 0.000 1.106 85 L CA 1.724 56.566 54.840 0.003 0.000 0.793 85 L CB -0.434 41.627 42.059 0.004 0.000 0.927 85 L HN 0.656 nan 8.230 nan 0.000 0.446 86 M N -0.264 119.339 119.600 0.004 0.000 2.159 86 M HA -0.135 4.344 4.480 -0.001 0.000 0.263 86 M C 3.110 179.411 176.300 0.003 0.000 1.063 86 M CA 2.213 57.515 55.300 0.004 0.000 1.110 86 M CB -1.965 30.639 32.600 0.007 0.000 1.374 86 M HN 0.590 nan 8.290 nan 0.000 0.411 87 R N -0.103 120.401 120.500 0.006 0.000 2.148 87 R HA 0.350 4.689 4.340 -0.001 0.000 0.223 87 R C 2.420 178.719 176.300 -0.000 0.000 1.088 87 R CA 1.812 57.916 56.100 0.008 0.000 0.985 87 R CB -1.548 28.761 30.300 0.016 0.000 0.880 87 R HN 0.731 nan 8.270 nan 0.000 0.451 88 A N 0.676 123.490 122.820 -0.011 0.000 1.874 88 A HA 0.385 4.705 4.320 -0.001 0.000 0.214 88 A C 2.806 180.354 177.584 -0.059 0.000 1.189 88 A CA 1.417 53.433 52.037 -0.035 0.000 0.615 88 A CB -0.823 18.155 19.000 -0.037 0.000 0.830 88 A HN 0.848 nan 8.150 nan 0.000 0.443 89 A N -0.302 122.492 122.820 -0.043 0.000 1.940 89 A HA 0.050 4.369 4.320 -0.001 0.000 0.219 89 A C 2.341 179.910 177.584 -0.025 0.000 1.176 89 A CA 2.095 54.106 52.037 -0.043 0.000 0.631 89 A CB -1.321 17.667 19.000 -0.021 0.000 0.814 89 A HN 0.709 nan 8.150 nan 0.000 0.446 90 G N -0.913 107.881 108.800 -0.010 0.000 2.404 90 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.215 90 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.215 90 G C 1.631 176.539 174.900 0.013 0.000 1.174 90 G CA 1.019 46.122 45.100 0.004 0.000 0.780 90 G HN 0.454 nan 8.290 nan 0.000 0.537 91 M N 0.018 119.623 119.600 0.009 0.000 2.213 91 M HA 0.047 4.527 4.480 -0.001 0.000 0.263 91 M C 2.513 178.845 176.300 0.054 0.000 1.062 91 M CA 1.043 56.359 55.300 0.026 0.000 1.105 91 M CB -0.331 32.281 32.600 0.020 0.000 1.385 91 M HN 0.198 nan 8.290 nan 0.000 0.417 92 I N -0.138 120.447 120.570 0.025 0.000 2.315 92 I HA -0.294 3.875 4.170 -0.001 0.000 0.248 92 I C 2.095 178.318 176.117 0.177 0.000 1.117 92 I CA 1.147 62.500 61.300 0.089 0.000 1.404 92 I CB -0.402 37.517 38.000 -0.136 0.000 1.071 92 I HN 0.274 nan 8.210 nan 0.000 0.419 93 D N 0.187 120.638 120.400 0.085 0.000 2.149 93 D HA -0.139 4.500 4.640 -0.001 0.000 0.201 93 D C 2.198 178.547 176.300 0.080 0.000 0.972 93 D CA 0.914 54.966 54.000 0.086 0.000 0.835 93 D CB 0.046 40.873 40.800 0.046 0.000 0.966 93 D HN 0.384 nan 8.370 nan 0.000 0.476 94 Q N 0.300 120.136 119.800 0.060 0.000 1.985 94 Q HA -0.152 4.187 4.340 -0.001 0.000 0.207 94 Q C 2.412 178.430 176.000 0.030 0.000 0.996 94 Q CA 1.305 57.132 55.803 0.041 0.000 0.851 94 Q CB -0.192 28.566 28.738 0.034 0.000 0.921 94 Q HN 0.160 nan 8.270 nan 0.000 0.418 95 V N 1.178 121.116 119.914 0.039 0.000 2.392 95 V HA -0.286 3.834 4.120 -0.001 0.000 0.249 95 V C 2.213 178.230 176.094 -0.128 0.000 1.059 95 V CA 1.823 64.077 62.300 -0.076 0.000 1.051 95 V CB -0.506 31.245 31.823 -0.119 0.000 0.658 95 V HN 0.324 nan 8.190 nan 0.000 0.455 96 K N -0.672 119.770 120.400 0.070 0.000 2.063 96 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 96 K C 2.215 178.833 176.600 0.031 0.000 1.048 96 K CA 1.766 58.117 56.287 0.106 0.000 0.928 96 K CB -0.204 32.423 32.500 0.213 0.000 0.713 96 K HN 0.409 nan 8.250 nan 0.000 0.442 97 M N -0.088 119.529 119.600 0.030 0.000 2.117 97 M HA -0.200 4.279 4.480 -0.001 0.000 0.262 97 M C 2.223 178.521 176.300 -0.004 0.000 1.065 97 M CA 1.680 56.990 55.300 0.017 0.000 1.114 97 M CB -0.433 32.179 32.600 0.021 0.000 1.361 97 M HN 0.202 nan 8.290 nan 0.000 0.408 98 M N 0.100 119.686 119.600 -0.023 0.000 2.108 98 M HA -0.204 4.275 4.480 -0.001 0.000 0.261 98 M C 2.160 178.440 176.300 -0.034 0.000 1.066 98 M CA 1.549 56.832 55.300 -0.028 0.000 1.107 98 M CB -0.715 31.860 32.600 -0.042 0.000 1.356 98 M HN 0.256 nan 8.290 nan 0.000 0.406 99 L N 0.057 121.240 121.223 -0.066 0.000 2.012 99 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 99 L C 2.883 179.747 176.870 -0.010 0.000 1.073 99 L CA 1.251 56.058 54.840 -0.056 0.000 0.748 99 L CB -0.601 41.405 42.059 -0.088 0.000 0.891 99 L HN 0.405 nan 8.230 nan 0.000 0.431 100 Q N -0.487 119.313 119.800 0.000 0.000 2.230 100 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 100 Q C 1.848 177.853 176.000 0.009 0.000 0.963 100 Q CA 1.214 57.024 55.803 0.012 0.000 0.866 100 Q CB 0.058 28.808 28.738 0.019 0.000 0.931 100 Q HN 0.601 nan 8.270 nan 0.000 0.452 101 E N 0.457 120.660 120.200 0.006 0.000 2.364 101 E HA -0.033 4.316 4.350 -0.001 0.000 0.196 101 E C 0.024 176.629 176.600 0.008 0.000 0.990 101 E CA -0.194 56.210 56.400 0.007 0.000 0.886 101 E CB 0.363 30.067 29.700 0.007 0.000 0.866 101 E HN 0.085 nan 8.360 nan 0.000 0.493 102 E N 1.103 121.310 120.200 0.011 0.000 2.498 102 E HA -0.069 4.280 4.350 -0.001 0.000 0.252 102 E C 0.724 177.337 176.600 0.022 0.000 1.025 102 E CA -0.002 56.409 56.400 0.019 0.000 0.938 102 E CB 0.947 30.662 29.700 0.025 0.000 0.947 102 E HN 0.044 nan 8.360 nan 0.000 0.478 103 V N 1.099 121.024 119.914 0.019 0.000 3.590 103 V HA 0.145 4.264 4.120 -0.001 0.000 0.265 103 V C 0.725 176.833 176.094 0.023 0.000 1.239 103 V CA 0.328 62.636 62.300 0.013 0.000 1.117 103 V CB -0.006 31.821 31.823 0.006 0.000 0.818 103 V HN 0.550 nan 8.190 nan 0.000 0.451 104 D N 2.244 122.666 120.400 0.037 0.000 2.359 104 D HA 0.116 4.755 4.640 -0.001 0.000 0.250 104 D C 1.605 177.957 176.300 0.085 0.000 1.264 104 D CA 0.946 54.978 54.000 0.054 0.000 0.911 104 D CB 1.458 42.291 40.800 0.054 0.000 1.056 104 D HN 0.527 nan 8.370 nan 0.000 0.499 105 S N 3.529 119.283 115.700 0.091 0.000 2.419 105 S HA -0.163 4.306 4.470 -0.001 0.000 0.233 105 S C 2.075 176.813 174.600 0.231 0.000 1.016 105 S CA 0.430 58.728 58.200 0.163 0.000 0.974 105 S CB -0.213 63.038 63.200 0.084 0.000 0.786 105 S HN 0.617 nan 8.310 nan 0.000 0.492 106 I N 1.390 122.060 120.570 0.167 0.000 2.286 106 I HA -0.067 4.102 4.170 -0.001 0.000 0.245 106 I C 2.995 179.198 176.117 0.143 0.000 1.104 106 I CA 1.316 62.717 61.300 0.168 0.000 1.397 106 I CB -0.330 37.785 38.000 0.192 0.000 1.072 106 I HN 0.291 nan 8.210 nan 0.000 0.417 107 R N 1.194 121.768 120.500 0.123 0.000 2.152 107 R HA -0.154 4.186 4.340 -0.001 0.000 0.232 107 R C 2.451 178.799 176.300 0.080 0.000 1.117 107 R CA 1.123 57.283 56.100 0.101 0.000 0.981 107 R CB -0.173 30.174 30.300 0.078 0.000 0.870 107 R HN 0.187 nan 8.270 nan 0.000 0.451 108 R N 0.309 120.862 120.500 0.089 0.000 2.083 108 R HA -0.123 4.216 4.340 -0.001 0.000 0.237 108 R C 2.185 178.489 176.300 0.007 0.000 1.137 108 R CA 1.787 57.931 56.100 0.073 0.000 0.951 108 R CB -0.318 30.079 30.300 0.161 0.000 0.851 108 R HN 0.284 nan 8.270 nan 0.000 0.434 109 L N 0.321 121.524 121.223 -0.034 0.000 2.083 109 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 109 L C 2.296 179.133 176.870 -0.055 0.000 1.083 109 L CA 1.480 56.228 54.840 -0.152 0.000 0.752 109 L CB -0.459 41.467 42.059 -0.222 0.000 0.899 109 L HN 0.316 nan 8.230 nan 0.000 0.433 110 E N 0.054 120.268 120.200 0.023 0.000 2.058 110 E HA -0.281 4.069 4.350 -0.001 0.000 0.194 110 E C 2.087 178.734 176.600 0.077 0.000 0.997 110 E CA 1.315 57.764 56.400 0.082 0.000 0.801 110 E CB -0.195 29.590 29.700 0.142 0.000 0.746 110 E HN 0.243 nan 8.360 nan 0.000 0.450 111 L N 1.174 122.427 121.223 0.050 0.000 2.046 111 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 111 L C 2.024 178.881 176.870 -0.021 0.000 1.077 111 L CA 1.542 56.395 54.840 0.023 0.000 0.747 111 L CB -0.307 41.747 42.059 -0.008 0.000 0.896 111 L HN 0.138 nan 8.230 nan 0.000 0.432 112 I N -0.360 120.185 120.570 -0.042 0.000 2.163 112 I HA -0.301 3.868 4.170 -0.001 0.000 0.243 112 I C 2.232 178.346 176.117 -0.006 0.000 1.085 112 I CA 1.740 63.007 61.300 -0.054 0.000 1.347 112 I CB -0.416 37.518 38.000 -0.110 0.000 1.044 112 I HN 0.364 nan 8.210 nan 0.000 0.408 113 D N 0.910 121.311 120.400 0.002 0.000 2.097 113 D HA -0.214 4.426 4.640 -0.001 0.000 0.195 113 D C 1.774 178.066 176.300 -0.014 0.000 0.989 113 D CA 1.412 55.420 54.000 0.013 0.000 0.827 113 D CB -0.066 40.749 40.800 0.025 0.000 0.966 113 D HN 0.206 nan 8.370 nan 0.000 0.456 114 D N -0.151 120.281 120.400 0.053 0.000 2.123 114 D HA -0.140 4.500 4.640 -0.001 0.000 0.196 114 D C 2.331 178.609 176.300 -0.036 0.000 0.992 114 D CA 0.535 54.595 54.000 0.101 0.000 0.833 114 D CB -0.328 40.565 40.800 0.154 0.000 0.954 114 D HN 0.319 nan 8.370 nan 0.000 0.455 115 L N 0.320 121.524 121.223 -0.032 0.000 2.042 115 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 115 L C 2.605 179.480 176.870 0.009 0.000 1.076 115 L CA 1.000 55.839 54.840 -0.001 0.000 0.749 115 L CB -0.341 41.732 42.059 0.023 0.000 0.893 115 L HN -0.011 nan 8.230 nan 0.000 0.432 116 R N 0.733 121.225 120.500 -0.013 0.000 2.070 116 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 116 R C 2.375 178.573 176.300 -0.169 0.000 1.137 116 R CA 1.580 57.656 56.100 -0.040 0.000 0.945 116 R CB -0.269 30.023 30.300 -0.014 0.000 0.845 116 R HN 0.197 nan 8.270 nan 0.000 0.430 117 R N 0.077 120.357 120.500 -0.367 0.000 2.148 117 R HA -0.042 4.297 4.340 -0.001 0.000 0.227 117 R C 2.186 178.185 176.300 -0.502 0.000 1.103 117 R CA 1.355 57.031 56.100 -0.708 0.000 0.983 117 R CB -0.346 28.953 30.300 -1.669 0.000 0.874 117 R HN 0.298 nan 8.270 nan 0.000 0.451 118 L N -0.492 120.604 121.223 -0.211 0.000 2.478 118 L HA 0.072 4.411 4.340 -0.001 0.000 0.223 118 L C 1.336 178.224 176.870 0.030 0.000 1.140 118 L CA 0.755 55.626 54.840 0.053 0.000 0.842 118 L CB 0.016 42.083 42.059 0.014 0.000 0.953 118 L HN 0.486 nan 8.230 nan 0.000 0.452 119 G N 0.782 109.576 108.800 -0.010 0.000 2.176 119 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.232 119 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.232 119 G C 0.697 175.619 174.900 0.037 0.000 0.986 119 G CA 0.236 45.344 45.100 0.013 0.000 0.643 119 G HN 0.466 nan 8.290 nan 0.000 0.522 120 I N -0.513 120.115 120.570 0.096 0.000 3.927 120 I HA 0.383 4.552 4.170 -0.001 0.000 0.332 120 I C 1.899 178.184 176.117 0.279 0.000 1.485 120 I CA 0.660 62.083 61.300 0.206 0.000 1.131 120 I CB 0.327 38.519 38.000 0.320 0.000 1.092 120 I HN 0.141 nan 8.210 nan 0.000 0.410 121 S N 1.125 116.935 115.700 0.183 0.000 2.447 121 S HA -0.206 4.263 4.470 -0.001 0.000 0.233 121 S C 2.138 176.815 174.600 0.129 0.000 1.006 121 S CA 0.914 59.270 58.200 0.260 0.000 0.957 121 S CB -1.215 62.095 63.200 0.184 0.000 0.773 121 S HN 0.821 nan 8.310 nan 0.000 0.507 122 C N 1.360 120.614 119.300 -0.077 0.000 2.403 122 C HA -0.099 4.360 4.460 -0.001 0.000 0.279 122 C C 2.524 177.320 174.990 -0.323 0.000 1.269 122 C CA 0.803 59.700 59.018 -0.202 0.000 1.774 122 C CB -2.032 25.523 27.740 -0.309 0.000 1.993 122 C HN 0.582 nan 8.230 nan 0.000 0.496 123 H N 0.218 119.038 119.070 -0.416 0.000 2.456 123 H HA -0.003 4.552 4.556 -0.001 0.000 0.296 123 H C 1.135 176.030 175.328 -0.722 0.000 1.079 123 H CA 1.743 57.328 56.048 -0.770 0.000 1.322 123 H CB -0.285 28.630 29.762 -1.412 0.000 1.388 123 H HN 0.673 nan 8.280 nan 0.000 0.538 124 F N -0.311 119.710 119.950 0.119 0.000 2.683 124 F HA 0.203 4.729 4.527 -0.001 0.000 0.306 124 F C 1.925 177.757 175.800 0.055 0.000 1.102 124 F CA -0.459 57.589 58.000 0.080 0.000 1.244 124 F CB 0.228 39.269 39.000 0.069 0.000 1.029 124 F HN 0.014 nan 8.300 nan 0.000 0.545 125 E N 1.475 121.770 120.200 0.159 0.000 2.038 125 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 125 E C 2.145 178.819 176.600 0.123 0.000 1.000 125 E CA 1.716 58.210 56.400 0.157 0.000 0.803 125 E CB 0.100 29.871 29.700 0.119 0.000 0.750 125 E HN 0.367 nan 8.360 nan 0.000 0.448 126 R N 0.120 120.676 120.500 0.095 0.000 2.091 126 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 126 R C 2.328 178.676 176.300 0.080 0.000 1.136 126 R CA 1.698 57.845 56.100 0.078 0.000 0.959 126 R CB -0.207 30.129 30.300 0.061 0.000 0.856 126 R HN 0.178 nan 8.270 nan 0.000 0.437 127 E N 0.620 120.882 120.200 0.103 0.000 2.077 127 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 127 E C 1.890 178.521 176.600 0.052 0.000 0.989 127 E CA 1.059 57.515 56.400 0.094 0.000 0.800 127 E CB -0.148 29.640 29.700 0.146 0.000 0.746 127 E HN 0.304 nan 8.360 nan 0.000 0.452 128 I N -0.114 120.476 120.570 0.034 0.000 2.179 128 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 128 I C 2.079 178.114 176.117 -0.137 0.000 1.088 128 I CA 0.810 62.055 61.300 -0.091 0.000 1.357 128 I CB -0.231 37.673 38.000 -0.161 0.000 1.051 128 I HN 0.015 nan 8.210 nan 0.000 0.409 129 V N 1.122 120.999 119.914 -0.062 0.000 2.332 129 V HA -0.315 3.804 4.120 -0.001 0.000 0.248 129 V C 3.018 179.187 176.094 0.124 0.000 1.055 129 V CA 2.512 64.853 62.300 0.069 0.000 1.038 129 V CB -1.341 30.557 31.823 0.125 0.000 0.651 129 V HN 0.627 nan 8.190 nan 0.000 0.450 130 E N -0.120 120.129 120.200 0.082 0.000 2.085 130 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 130 E C 1.986 178.622 176.600 0.060 0.000 0.994 130 E CA 1.964 58.412 56.400 0.081 0.000 0.801 130 E CB -0.652 29.086 29.700 0.063 0.000 0.743 130 E HN 0.655 nan 8.360 nan 0.000 0.453 131 I N -0.003 120.592 120.570 0.042 0.000 2.226 131 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 131 I C 2.764 178.946 176.117 0.108 0.000 1.100 131 I CA 1.137 62.475 61.300 0.063 0.000 1.374 131 I CB -0.103 37.938 38.000 0.068 0.000 1.057 131 I HN 0.252 nan 8.210 nan 0.000 0.413 132 L N 0.230 121.457 121.223 0.007 0.000 2.046 132 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 132 L C 2.301 179.015 176.870 -0.260 0.000 1.077 132 L CA 1.626 56.394 54.840 -0.119 0.000 0.747 132 L CB -0.720 41.099 42.059 -0.401 0.000 0.896 132 L HN 0.340 nan 8.230 nan 0.000 0.432 133 N N -0.121 118.462 118.700 -0.195 0.000 2.120 133 N HA -0.188 4.552 4.740 -0.001 0.000 0.188 133 N C 1.867 177.427 175.510 0.083 0.000 1.024 133 N CA 1.726 54.775 53.050 -0.001 0.000 0.852 133 N CB 0.039 38.673 38.487 0.244 0.000 1.003 133 N HN 0.298 nan 8.380 nan 0.000 0.424 134 S N -1.877 113.846 115.700 0.037 0.000 2.524 134 S HA 0.212 4.681 4.470 -0.001 0.000 0.216 134 S C 1.305 175.860 174.600 -0.076 0.000 0.987 134 S CA 0.240 58.441 58.200 0.003 0.000 0.909 134 S CB 0.248 63.452 63.200 0.006 0.000 0.781 134 S HN 0.262 nan 8.310 nan 0.000 0.521 135 K N -1.214 119.105 120.400 -0.135 0.000 2.521 135 K HA 0.341 4.660 4.320 -0.001 0.000 0.213 135 K C 0.081 176.277 176.600 -0.673 0.000 1.223 135 K CA 0.098 56.151 56.287 -0.390 0.000 1.013 135 K CB 0.647 32.860 32.500 -0.479 0.000 1.017 135 K HN 0.331 nan 8.250 nan 0.000 0.591 136 Y N -2.261 117.987 120.300 -0.087 0.000 2.784 136 Y HA 0.050 4.599 4.550 -0.001 0.000 0.267 136 Y C 1.737 177.595 175.900 -0.070 0.000 1.117 136 Y CA -0.255 57.794 58.100 -0.086 0.000 1.231 136 Y CB -0.093 38.296 38.460 -0.118 0.000 1.441 136 Y HN -0.040 nan 8.280 nan 0.000 0.469 137 Y N 2.230 122.455 120.300 -0.124 0.000 2.263 137 Y HA 0.035 4.584 4.550 -0.001 0.000 0.292 137 Y C 0.973 176.828 175.900 -0.074 0.000 1.130 137 Y CA 1.262 59.260 58.100 -0.169 0.000 1.179 137 Y CB -0.165 38.057 38.460 -0.396 0.000 0.998 137 Y HN 0.071 nan 8.280 nan 0.000 0.532 138 T N -2.594 111.895 114.554 -0.109 0.000 2.916 138 T HA 0.299 4.648 4.350 -0.001 0.000 0.292 138 T C -0.181 174.447 174.700 -0.120 0.000 1.064 138 T CA -0.490 61.514 62.100 -0.159 0.000 1.011 138 T CB 1.540 70.346 68.868 -0.104 0.000 1.152 138 T HN 0.242 nan 8.240 nan 0.000 0.510 139 N N 0.226 118.856 118.700 -0.116 0.000 2.710 139 N HA -0.182 4.558 4.740 -0.001 0.000 0.249 139 N C -0.262 175.158 175.510 -0.151 0.000 1.059 139 N CA 0.704 53.684 53.050 -0.116 0.000 0.720 139 N CB -1.536 36.886 38.487 -0.108 0.000 0.983 139 N HN 0.858 nan 8.380 nan 0.000 0.544 140 N N 1.344 119.965 118.700 -0.131 0.000 2.357 140 N HA -0.061 4.678 4.740 -0.001 0.000 0.257 140 N C 0.806 176.235 175.510 -0.136 0.000 1.250 140 N CA 0.834 53.805 53.050 -0.131 0.000 0.862 140 N CB 0.443 38.901 38.487 -0.047 0.000 1.066 140 N HN 0.282 nan 8.380 nan 0.000 0.468 141 E N 2.075 122.149 120.200 -0.211 0.000 2.481 141 E HA 0.133 4.483 4.350 -0.001 0.000 0.198 141 E C -0.127 176.460 176.600 -0.022 0.000 1.027 141 E CA -0.203 56.109 56.400 -0.147 0.000 0.900 141 E CB 0.415 29.964 29.700 -0.252 0.000 0.993 141 E HN 0.512 nan 8.360 nan 0.000 0.482 142 I N 1.991 122.587 120.570 0.043 0.000 2.428 142 I HA 0.036 4.205 4.170 -0.001 0.000 0.289 142 I C 0.281 176.444 176.117 0.078 0.000 1.019 142 I CA -0.729 60.636 61.300 0.109 0.000 1.351 142 I CB 0.856 38.960 38.000 0.174 0.000 1.412 142 I HN -0.076 nan 8.210 nan 0.000 0.513 143 D N 5.733 126.186 120.400 0.089 0.000 2.349 143 D HA -0.004 4.635 4.640 -0.001 0.000 0.266 143 D C 1.031 177.395 176.300 0.107 0.000 1.293 143 D CA 0.228 54.276 54.000 0.080 0.000 0.926 143 D CB 0.530 41.383 40.800 0.088 0.000 1.090 143 D HN 0.463 nan 8.370 nan 0.000 0.502 144 E N 2.585 122.827 120.200 0.071 0.000 2.455 144 E HA -0.151 4.198 4.350 -0.001 0.000 0.202 144 E C 1.191 177.841 176.600 0.083 0.000 1.045 144 E CA 0.551 56.994 56.400 0.072 0.000 0.872 144 E CB 0.231 29.933 29.700 0.004 0.000 0.792 144 E HN 0.455 nan 8.360 nan 0.000 0.542 145 R N 0.562 121.113 120.500 0.086 0.000 2.334 145 R HA 0.055 4.395 4.340 -0.001 0.000 0.216 145 R C -0.085 176.397 176.300 0.303 0.000 0.905 145 R CA -0.021 56.110 56.100 0.052 0.000 1.064 145 R CB 0.335 30.639 30.300 0.006 0.000 1.046 145 R HN -0.009 nan 8.270 nan 0.000 0.508 146 D N 0.423 121.039 120.400 0.360 0.000 2.280 146 D HA 0.037 4.676 4.640 -0.001 0.000 0.236 146 D C 0.790 177.310 176.300 0.366 0.000 1.082 146 D CA -0.374 53.835 54.000 0.349 0.000 0.834 146 D CB 1.349 42.289 40.800 0.232 0.000 1.100 146 D HN -0.190 nan 8.370 nan 0.000 0.486 147 L N 5.765 127.095 121.223 0.178 0.000 1.970 147 L HA -0.118 4.221 4.340 -0.001 0.000 0.212 147 L C 1.683 178.548 176.870 -0.009 0.000 1.071 147 L CA 1.799 56.461 54.840 -0.297 0.000 0.751 147 L CB -1.049 40.792 42.059 -0.363 0.000 0.889 147 L HN 0.704 nan 8.230 nan 0.000 0.432 148 Y N -0.011 120.280 120.300 -0.016 0.000 2.069 148 Y HA -0.356 4.193 4.550 -0.001 0.000 0.278 148 Y C 2.694 178.631 175.900 0.062 0.000 1.175 148 Y CA 2.277 60.391 58.100 0.025 0.000 1.134 148 Y CB -0.720 37.761 38.460 0.036 0.000 0.965 148 Y HN 0.309 nan 8.280 nan 0.000 0.498 149 S N -1.011 114.762 115.700 0.123 0.000 2.355 149 S HA -0.177 4.292 4.470 -0.001 0.000 0.222 149 S C 1.972 176.592 174.600 0.034 0.000 1.031 149 S CA 1.626 59.855 58.200 0.048 0.000 0.993 149 S CB -0.681 62.618 63.200 0.164 0.000 0.859 149 S HN 0.576 nan 8.310 nan 0.000 0.453 150 T N 2.331 116.949 114.554 0.105 0.000 2.720 150 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 150 T C 2.058 176.814 174.700 0.094 0.000 1.037 150 T CA 1.354 63.516 62.100 0.103 0.000 1.144 150 T CB -0.456 68.535 68.868 0.204 0.000 0.864 150 T HN 0.453 nan 8.240 nan 0.000 0.444 151 A N 0.957 123.864 122.820 0.144 0.000 1.898 151 A HA 0.045 4.364 4.320 -0.001 0.000 0.216 151 A C 2.212 179.892 177.584 0.159 0.000 1.181 151 A CA 1.115 53.317 52.037 0.276 0.000 0.620 151 A CB -0.773 18.316 19.000 0.149 0.000 0.819 151 A HN 0.405 nan 8.150 nan 0.000 0.442 152 L N 0.190 121.377 121.223 -0.059 0.000 2.042 152 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 152 L C 2.470 179.311 176.870 -0.047 0.000 1.076 152 L CA 2.481 57.249 54.840 -0.119 0.000 0.749 152 L CB -0.640 41.222 42.059 -0.329 0.000 0.893 152 L HN 0.506 nan 8.230 nan 0.000 0.432 153 R N -1.522 118.960 120.500 -0.030 0.000 2.081 153 R HA -0.244 4.095 4.340 -0.001 0.000 0.235 153 R C 2.367 178.697 176.300 0.051 0.000 1.131 153 R CA 1.892 57.972 56.100 -0.035 0.000 0.960 153 R CB -0.631 29.689 30.300 0.033 0.000 0.856 153 R HN 0.414 nan 8.270 nan 0.000 0.436 154 F N 1.521 121.462 119.950 -0.016 0.000 2.075 154 F HA -0.191 4.335 4.527 -0.001 0.000 0.297 154 F C 2.638 178.470 175.800 0.053 0.000 1.113 154 F CA 2.149 60.163 58.000 0.025 0.000 1.218 154 F CB -0.326 38.722 39.000 0.081 0.000 0.984 154 F HN -0.051 nan 8.300 nan 0.000 0.472 155 R N 0.453 121.060 120.500 0.179 0.000 2.070 155 R HA -0.157 4.182 4.340 -0.001 0.000 0.233 155 R C 2.290 178.569 176.300 -0.035 0.000 1.137 155 R CA 2.140 58.259 56.100 0.032 0.000 0.945 155 R CB -0.698 29.657 30.300 0.093 0.000 0.845 155 R HN 0.452 nan 8.270 nan 0.000 0.430 156 L N 0.648 121.874 121.223 0.006 0.000 2.131 156 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 156 L C 2.474 179.435 176.870 0.152 0.000 1.092 156 L CA 0.975 55.863 54.840 0.081 0.000 0.759 156 L CB -0.336 41.714 42.059 -0.016 0.000 0.903 156 L HN 0.325 nan 8.230 nan 0.000 0.435 157 L N -0.713 120.523 121.223 0.022 0.000 2.027 157 L HA -0.192 4.147 4.340 -0.001 0.000 0.206 157 L C 2.862 179.809 176.870 0.130 0.000 1.074 157 L CA 1.326 56.218 54.840 0.087 0.000 0.745 157 L CB -0.385 41.666 42.059 -0.012 0.000 0.898 157 L HN 0.219 nan 8.230 nan 0.000 0.433 158 R N -0.537 119.894 120.500 -0.115 0.000 2.115 158 R HA -0.197 4.142 4.340 -0.001 0.000 0.230 158 R C 2.197 178.452 176.300 -0.076 0.000 1.111 158 R CA 1.114 57.118 56.100 -0.160 0.000 0.976 158 R CB -0.245 29.826 30.300 -0.382 0.000 0.870 158 R HN 0.457 nan 8.270 nan 0.000 0.445 159 Q N 0.074 119.846 119.800 -0.047 0.000 2.124 159 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 159 Q C 0.422 176.308 176.000 -0.190 0.000 0.977 159 Q CA 1.533 57.282 55.803 -0.090 0.000 0.850 159 Q CB 0.092 28.785 28.738 -0.075 0.000 0.901 159 Q HN 0.392 nan 8.270 nan 0.000 0.429 160 Y N 0.549 120.870 120.300 0.036 0.000 2.645 160 Y HA 0.130 4.679 4.550 -0.001 0.000 0.307 160 Y C -0.296 175.486 175.900 -0.196 0.000 1.151 160 Y CA 0.264 58.369 58.100 0.008 0.000 1.291 160 Y CB 0.189 38.751 38.460 0.170 0.000 1.135 160 Y HN 0.229 nan 8.280 nan 0.000 0.523 161 D N -0.393 119.956 120.400 -0.085 0.000 2.772 161 D HA -0.254 4.385 4.640 -0.001 0.000 0.233 161 D C -0.972 175.132 176.300 -0.327 0.000 1.143 161 D CA 0.533 54.420 54.000 -0.188 0.000 0.700 161 D CB -1.440 39.233 40.800 -0.211 0.000 1.076 161 D HN 0.176 nan 8.370 nan 0.000 0.430 162 F N 0.370 120.232 119.950 -0.146 0.000 2.399 162 F HA 0.453 4.979 4.527 -0.001 0.000 0.334 162 F C 1.137 176.857 175.800 -0.134 0.000 1.097 162 F CA -0.669 57.164 58.000 -0.279 0.000 1.076 162 F CB 1.599 40.370 39.000 -0.381 0.000 1.162 162 F HN -0.235 nan 8.300 nan 0.000 0.495 163 S N 2.310 118.093 115.700 0.138 0.000 2.505 163 S HA 0.471 4.940 4.470 -0.001 0.000 0.276 163 S C -0.580 174.167 174.600 0.246 0.000 1.274 163 S CA -0.542 57.761 58.200 0.172 0.000 1.053 163 S CB 1.102 64.410 63.200 0.181 0.000 0.919 163 S HN 0.511 nan 8.310 nan 0.000 0.490 164 V N 3.295 123.289 119.914 0.132 0.000 2.711 164 V HA 0.599 4.718 4.120 -0.001 0.000 0.304 164 V C -0.148 176.086 176.094 0.234 0.000 1.097 164 V CA -0.599 61.797 62.300 0.161 0.000 0.906 164 V CB 2.087 33.981 31.823 0.118 0.000 1.015 164 V HN 0.830 nan 8.190 nan 0.000 0.427 165 S N 3.918 119.751 115.700 0.222 0.000 2.593 165 S HA 0.224 4.693 4.470 -0.001 0.000 0.269 165 S C 1.195 175.980 174.600 0.309 0.000 1.334 165 S CA 0.545 58.884 58.200 0.231 0.000 1.015 165 S CB 1.422 64.700 63.200 0.130 0.000 0.912 165 S HN 1.074 nan 8.310 nan 0.000 0.541 166 Q N 1.632 121.601 119.800 0.281 0.000 2.364 166 Q HA -0.093 4.246 4.340 -0.001 0.000 0.207 166 Q C 1.177 177.258 176.000 0.136 0.000 0.970 166 Q CA 1.552 57.484 55.803 0.215 0.000 0.888 166 Q CB -0.317 28.548 28.738 0.212 0.000 0.951 166 Q HN 0.840 nan 8.270 nan 0.000 0.469 167 E N 1.111 121.364 120.200 0.088 0.000 2.333 167 E HA -0.132 4.217 4.350 -0.001 0.000 0.198 167 E C 2.006 178.595 176.600 -0.019 0.000 1.007 167 E CA 1.174 57.600 56.400 0.044 0.000 0.845 167 E CB -0.112 29.606 29.700 0.030 0.000 0.766 167 E HN 0.503 nan 8.360 nan 0.000 0.507 168 V N -1.420 118.414 119.914 -0.134 0.000 2.794 168 V HA -0.221 3.898 4.120 -0.001 0.000 0.260 168 V C 1.440 177.404 176.094 -0.216 0.000 1.103 168 V CA 1.459 63.611 62.300 -0.248 0.000 1.125 168 V CB -0.700 30.906 31.823 -0.361 0.000 0.702 168 V HN 0.110 nan 8.190 nan 0.000 0.494 169 F N 0.351 120.381 119.950 0.133 0.000 2.727 169 F HA 0.316 4.842 4.527 -0.002 0.000 0.302 169 F C 1.847 177.752 175.800 0.175 0.000 1.097 169 F CA -0.091 58.102 58.000 0.322 0.000 1.330 169 F CB -0.398 38.745 39.000 0.239 0.000 1.084 169 F HN 0.135 nan 8.300 nan 0.000 0.578 170 D N -0.439 120.036 120.400 0.126 0.000 2.221 170 D HA -0.205 4.434 4.640 -0.001 0.000 0.204 170 D C 2.341 178.564 176.300 -0.129 0.000 0.982 170 D CA 0.942 54.919 54.000 -0.038 0.000 0.857 170 D CB -0.505 40.264 40.800 -0.053 0.000 0.934 170 D HN 0.336 nan 8.370 nan 0.000 0.475 171 C N -0.299 118.872 119.300 -0.215 0.000 2.449 171 C HA -0.061 4.398 4.460 -0.001 0.000 0.283 171 C C 1.796 176.441 174.990 -0.574 0.000 1.453 171 C CA 0.168 58.908 59.018 -0.465 0.000 1.779 171 C CB -1.660 25.663 27.740 -0.695 0.000 1.779 171 C HN 0.130 nan 8.230 nan 0.000 0.546 172 F N 0.641 120.586 119.950 -0.009 0.000 2.678 172 F HA 0.366 4.892 4.527 -0.002 0.000 0.305 172 F C 1.260 176.954 175.800 -0.177 0.000 1.090 172 F CA -0.069 57.947 58.000 0.027 0.000 1.272 172 F CB -0.161 39.001 39.000 0.270 0.000 1.060 172 F HN -0.017 nan 8.300 nan 0.000 0.576 173 K N 1.004 121.247 120.400 -0.262 0.000 2.127 173 K HA 0.192 4.511 4.320 -0.001 0.000 0.240 173 K C 0.304 176.755 176.600 -0.247 0.000 1.024 173 K CA -0.741 55.260 56.287 -0.477 0.000 0.918 173 K CB 0.369 32.534 32.500 -0.559 0.000 1.108 173 K HN -0.001 nan 8.250 nan 0.000 0.485 174 N N 0.040 118.602 118.700 -0.231 0.000 2.347 174 N HA 0.070 4.809 4.740 -0.001 0.000 0.253 174 N C 0.645 176.090 175.510 -0.108 0.000 1.274 174 N CA 0.246 53.215 53.050 -0.134 0.000 0.941 174 N CB 0.100 38.523 38.487 -0.107 0.000 1.200 174 N HN 0.528 nan 8.380 nan 0.000 0.514 175 A N -0.192 122.584 122.820 -0.073 0.000 1.903 175 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 175 A C 2.278 179.825 177.584 -0.062 0.000 1.191 175 A CA 3.302 55.303 52.037 -0.061 0.000 0.638 175 A CB -1.733 17.242 19.000 -0.042 0.000 0.823 175 A HN 0.922 nan 8.150 nan 0.000 0.451 176 K N -2.049 118.316 120.400 -0.059 0.000 2.288 176 K HA 0.292 4.612 4.320 -0.001 0.000 0.201 176 K C 2.015 178.574 176.600 -0.068 0.000 1.048 176 K CA 1.579 57.834 56.287 -0.053 0.000 0.956 176 K CB -1.299 31.177 32.500 -0.040 0.000 0.746 176 K HN 2.120 nan 8.250 nan 0.000 0.461 177 G N -0.768 107.973 108.800 -0.100 0.000 2.141 177 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.242 177 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.242 177 G C 1.103 175.926 174.900 -0.129 0.000 0.982 177 G CA 1.473 46.498 45.100 -0.125 0.000 0.662 177 G HN 1.209 nan 8.290 nan 0.000 0.527 178 T N -3.753 110.737 114.554 -0.107 0.000 3.044 178 T HA 0.468 4.817 4.350 -0.001 0.000 0.250 178 T C 0.413 175.067 174.700 -0.076 0.000 1.081 178 T CA 1.159 63.217 62.100 -0.071 0.000 1.040 178 T CB 0.949 69.795 68.868 -0.036 0.000 0.962 178 T HN 0.459 nan 8.240 nan 0.000 0.506 179 D N -0.963 119.348 120.400 -0.149 0.000 2.808 179 D HA 0.326 4.965 4.640 -0.001 0.000 0.294 179 D C -1.851 174.250 176.300 -0.331 0.000 1.278 179 D CA -1.007 52.907 54.000 -0.144 0.000 0.756 179 D CB 0.516 41.300 40.800 -0.027 0.000 1.271 179 D HN 0.011 nan 8.370 nan 0.000 0.425 180 F N 1.485 121.118 119.950 -0.528 0.000 2.399 180 F HA 0.341 4.867 4.527 -0.002 0.000 0.342 180 F C 1.276 176.701 175.800 -0.625 0.000 1.106 180 F CA -0.161 57.434 58.000 -0.675 0.000 1.196 180 F CB 0.775 39.068 39.000 -1.178 0.000 1.163 180 F HN -0.055 nan 8.300 nan 0.000 0.547 181 K N 4.900 125.209 120.400 -0.152 0.000 2.504 181 K HA -0.058 4.261 4.320 -0.001 0.000 0.278 181 K C -1.702 174.901 176.600 0.004 0.000 1.025 181 K CA -0.686 55.570 56.287 -0.051 0.000 1.093 181 K CB 0.057 32.578 32.500 0.035 0.000 0.873 181 K HN 0.303 nan 8.250 nan 0.000 0.483 182 P HA -0.218 nan 4.420 nan 0.000 0.218 182 P C 0.952 178.268 177.300 0.026 0.000 1.146 182 P CA 1.245 64.380 63.100 0.058 0.000 0.813 182 P CB 0.119 31.841 31.700 0.035 0.000 0.778 183 S N -1.402 114.321 115.700 0.039 0.000 2.555 183 S HA -0.022 4.447 4.470 -0.001 0.000 0.230 183 S C 1.719 176.349 174.600 0.050 0.000 0.978 183 S CA 0.534 58.753 58.200 0.032 0.000 0.934 183 S CB -1.422 61.803 63.200 0.041 0.000 0.766 183 S HN 0.122 nan 8.310 nan 0.000 0.533 184 L N 1.735 123.024 121.223 0.111 0.000 2.395 184 L HA 0.028 4.367 4.340 -0.001 0.000 0.218 184 L C 2.515 179.402 176.870 0.028 0.000 1.130 184 L CA 0.622 55.543 54.840 0.136 0.000 0.826 184 L CB -0.672 41.559 42.059 0.286 0.000 0.941 184 L HN 0.404 nan 8.230 nan 0.000 0.451 185 V N -3.700 116.151 119.914 -0.104 0.000 2.828 185 V HA -0.225 3.894 4.120 -0.001 0.000 0.260 185 V C 1.444 177.468 176.094 -0.116 0.000 1.101 185 V CA 1.772 63.906 62.300 -0.278 0.000 1.123 185 V CB -0.605 30.894 31.823 -0.541 0.000 0.704 185 V HN 0.402 nan 8.190 nan 0.000 0.493 186 D N 0.050 120.416 120.400 -0.056 0.000 2.354 186 D HA 0.048 4.687 4.640 -0.001 0.000 0.209 186 D C 0.504 176.794 176.300 -0.017 0.000 1.015 186 D CA 0.682 54.665 54.000 -0.029 0.000 0.867 186 D CB 0.124 40.915 40.800 -0.015 0.000 0.933 186 D HN 0.560 nan 8.370 nan 0.000 0.520 187 D N 0.733 121.129 120.400 -0.007 0.000 2.524 187 D HA 0.077 4.716 4.640 -0.001 0.000 0.222 187 D C 0.990 177.287 176.300 -0.006 0.000 1.142 187 D CA -0.050 53.951 54.000 0.002 0.000 0.973 187 D CB 0.584 41.402 40.800 0.031 0.000 1.025 187 D HN -0.190 nan 8.370 nan 0.000 0.519 188 T N 2.368 116.910 114.554 -0.020 0.000 2.643 188 T HA -0.219 4.131 4.350 -0.001 0.000 0.264 188 T C 1.903 176.603 174.700 -0.001 0.000 1.045 188 T CA 1.433 63.520 62.100 -0.021 0.000 1.155 188 T CB -0.076 68.775 68.868 -0.030 0.000 0.863 188 T HN 0.541 nan 8.240 nan 0.000 0.420 189 R N 1.523 122.018 120.500 -0.009 0.000 2.159 189 R HA 0.005 4.344 4.340 -0.001 0.000 0.237 189 R C 2.561 178.979 176.300 0.198 0.000 1.131 189 R CA 1.633 57.758 56.100 0.041 0.000 0.982 189 R CB -0.930 29.294 30.300 -0.127 0.000 0.868 189 R HN 0.403 nan 8.270 nan 0.000 0.453 190 G N 1.697 110.579 108.800 0.137 0.000 2.402 190 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.216 190 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.216 190 G C 1.543 176.485 174.900 0.071 0.000 1.162 190 G CA 0.605 45.808 45.100 0.172 0.000 0.777 190 G HN 0.201 nan 8.290 nan 0.000 0.539 191 L N -0.238 121.002 121.223 0.028 0.000 2.046 191 L HA -0.021 4.318 4.340 -0.001 0.000 0.208 191 L C 2.680 179.559 176.870 0.015 0.000 1.077 191 L CA 0.451 55.283 54.840 -0.013 0.000 0.747 191 L CB -0.449 41.583 42.059 -0.046 0.000 0.896 191 L HN 0.228 nan 8.230 nan 0.000 0.432 192 L N -0.289 120.958 121.223 0.040 0.000 2.012 192 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 192 L C 2.625 179.574 176.870 0.133 0.000 1.073 192 L CA 1.839 56.717 54.840 0.064 0.000 0.748 192 L CB -0.728 41.370 42.059 0.065 0.000 0.891 192 L HN 0.237 nan 8.230 nan 0.000 0.431 193 Q N -0.717 119.154 119.800 0.118 0.000 2.167 193 Q HA -0.145 4.195 4.340 -0.001 0.000 0.202 193 Q C 2.254 178.271 176.000 0.028 0.000 0.970 193 Q CA 1.493 57.335 55.803 0.065 0.000 0.855 193 Q CB -0.632 28.088 28.738 -0.031 0.000 0.911 193 Q HN 0.509 nan 8.270 nan 0.000 0.438 194 L N -0.101 121.103 121.223 -0.031 0.000 2.056 194 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 194 L C 2.262 179.033 176.870 -0.165 0.000 1.078 194 L CA 1.601 56.319 54.840 -0.204 0.000 0.749 194 L CB -0.814 41.055 42.059 -0.316 0.000 0.901 194 L HN 0.167 nan 8.230 nan 0.000 0.433 195 Y N 0.406 120.615 120.300 -0.151 0.000 2.089 195 Y HA -0.236 4.313 4.550 -0.001 0.000 0.282 195 Y C 2.436 178.366 175.900 0.050 0.000 1.139 195 Y CA 2.162 60.212 58.100 -0.083 0.000 1.123 195 Y CB -0.198 38.245 38.460 -0.027 0.000 0.980 195 Y HN 0.251 nan 8.280 nan 0.000 0.493 196 E N 0.553 120.856 120.200 0.171 0.000 2.085 196 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 196 E C 2.412 179.045 176.600 0.055 0.000 0.994 196 E CA 1.267 57.718 56.400 0.085 0.000 0.801 196 E CB -0.750 29.016 29.700 0.109 0.000 0.743 196 E HN 0.618 nan 8.360 nan 0.000 0.453 197 A N 1.667 124.519 122.820 0.053 0.000 1.933 197 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 197 A C 2.398 180.030 177.584 0.080 0.000 1.175 197 A CA 2.172 54.304 52.037 0.159 0.000 0.628 197 A CB -0.667 18.489 19.000 0.260 0.000 0.814 197 A HN 0.349 nan 8.150 nan 0.000 0.444 198 S N -1.109 114.480 115.700 -0.186 0.000 2.440 198 S HA -0.129 4.340 4.470 -0.001 0.000 0.238 198 S C 1.429 175.800 174.600 -0.381 0.000 1.010 198 S CA 1.335 59.328 58.200 -0.345 0.000 0.972 198 S CB -0.774 62.096 63.200 -0.551 0.000 0.774 198 S HN 0.403 nan 8.310 nan 0.000 0.501 199 F N 0.975 120.755 119.950 -0.284 0.000 2.780 199 F HA 0.354 4.880 4.527 -0.002 0.000 0.299 199 F C 1.519 177.220 175.800 -0.164 0.000 1.146 199 F CA 0.107 57.931 58.000 -0.293 0.000 1.428 199 F CB 0.008 38.660 39.000 -0.580 0.000 1.115 199 F HN 0.206 nan 8.300 nan 0.000 0.583 200 L N -0.430 120.766 121.223 -0.046 0.000 2.645 200 L HA 0.073 4.412 4.340 -0.001 0.000 0.235 200 L C 1.016 177.924 176.870 0.063 0.000 1.150 200 L CA 0.506 55.254 54.840 -0.154 0.000 0.911 200 L CB -1.600 40.354 42.059 -0.174 0.000 1.077 200 L HN -0.016 nan 8.230 nan 0.000 0.438 201 S N -0.042 115.727 115.700 0.115 0.000 2.565 201 S HA 0.554 5.023 4.470 -0.001 0.000 0.276 201 S C 0.595 175.294 174.600 0.165 0.000 1.326 201 S CA -0.278 58.008 58.200 0.143 0.000 1.045 201 S CB 1.303 64.544 63.200 0.068 0.000 0.918 201 S HN 0.373 nan 8.310 nan 0.000 0.505 202 A N 4.043 126.953 122.820 0.149 0.000 2.388 202 A HA 0.499 4.818 4.320 -0.001 0.000 0.280 202 A C -0.074 177.578 177.584 0.113 0.000 1.377 202 A CA -0.506 51.612 52.037 0.135 0.000 0.863 202 A CB 0.069 19.136 19.000 0.112 0.000 1.416 202 A HN 0.872 nan 8.150 nan 0.000 0.517 203 Q N -1.178 118.677 119.800 0.091 0.000 2.299 203 Q HA 0.436 4.775 4.340 -0.001 0.000 0.246 203 Q C 0.621 176.660 176.000 0.065 0.000 0.935 203 Q CA 0.389 56.236 55.803 0.073 0.000 0.887 203 Q CB 0.870 29.642 28.738 0.057 0.000 1.223 203 Q HN 1.598 nan 8.270 nan 0.000 0.439 204 G N 1.861 110.695 108.800 0.057 0.000 2.176 204 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.252 204 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.252 204 G C -0.307 174.629 174.900 0.059 0.000 1.024 204 G CA -0.009 45.122 45.100 0.052 0.000 0.755 204 G HN 0.666 nan 8.290 nan 0.000 0.507 205 E N -0.054 120.186 120.200 0.067 0.000 2.373 205 E HA 0.296 4.646 4.350 -0.001 0.000 0.233 205 E C 1.122 177.758 176.600 0.060 0.000 1.035 205 E CA -0.376 56.071 56.400 0.078 0.000 0.930 205 E CB 0.793 30.559 29.700 0.111 0.000 1.278 205 E HN 0.356 nan 8.360 nan 0.000 0.452 206 E N 1.260 121.491 120.200 0.052 0.000 2.130 206 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 206 E C 1.398 178.030 176.600 0.054 0.000 0.998 206 E CA 1.996 58.422 56.400 0.043 0.000 0.806 206 E CB 0.039 29.760 29.700 0.035 0.000 0.738 206 E HN 0.279 nan 8.360 nan 0.000 0.459 207 T N 0.639 115.234 114.554 0.068 0.000 2.833 207 T HA -0.087 4.262 4.350 -0.001 0.000 0.269 207 T C 1.746 176.512 174.700 0.110 0.000 1.054 207 T CA 1.247 63.410 62.100 0.104 0.000 1.135 207 T CB -0.170 68.768 68.868 0.118 0.000 0.869 207 T HN 0.156 nan 8.240 nan 0.000 0.466 208 L N 0.375 121.617 121.223 0.031 0.000 2.156 208 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 208 L C 2.873 179.672 176.870 -0.118 0.000 1.095 208 L CA 0.986 55.775 54.840 -0.085 0.000 0.770 208 L CB -0.499 41.539 42.059 -0.035 0.000 0.914 208 L HN 0.156 nan 8.230 nan 0.000 0.439 209 R N 0.881 121.354 120.500 -0.045 0.000 2.066 209 R HA -0.145 4.194 4.340 -0.001 0.000 0.232 209 R C 2.355 178.642 176.300 -0.022 0.000 1.131 209 R CA 1.261 57.329 56.100 -0.053 0.000 0.955 209 R CB -0.211 30.085 30.300 -0.006 0.000 0.851 209 R HN 0.300 nan 8.270 nan 0.000 0.432 210 L N 0.500 121.759 121.223 0.061 0.000 2.043 210 L HA -0.219 4.120 4.340 -0.001 0.000 0.212 210 L C 2.745 179.669 176.870 0.090 0.000 1.075 210 L CA 1.521 56.456 54.840 0.159 0.000 0.752 210 L CB -0.627 41.602 42.059 0.283 0.000 0.891 210 L HN 0.354 nan 8.230 nan 0.000 0.432 211 A N -0.071 122.689 122.820 -0.100 0.000 1.865 211 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 211 A C 2.392 179.793 177.584 -0.305 0.000 1.191 211 A CA 1.959 53.671 52.037 -0.543 0.000 0.623 211 A CB -0.623 17.968 19.000 -0.682 0.000 0.826 211 A HN 0.341 nan 8.150 nan 0.000 0.444 212 R N -0.408 119.923 120.500 -0.281 0.000 2.097 212 R HA -0.201 4.138 4.340 -0.001 0.000 0.236 212 R C 1.747 177.997 176.300 -0.083 0.000 1.135 212 R CA 2.122 58.059 56.100 -0.271 0.000 0.934 212 R CB -0.458 29.587 30.300 -0.425 0.000 0.846 212 R HN 0.489 nan 8.270 nan 0.000 0.431 213 D N -0.275 120.101 120.400 -0.040 0.000 2.116 213 D HA -0.210 4.429 4.640 -0.001 0.000 0.193 213 D C 1.601 177.956 176.300 0.092 0.000 0.998 213 D CA 1.269 55.288 54.000 0.032 0.000 0.836 213 D CB -0.399 40.437 40.800 0.060 0.000 0.951 213 D HN 0.207 nan 8.370 nan 0.000 0.449 214 F N 1.404 121.337 119.950 -0.028 0.000 2.102 214 F HA -0.100 4.426 4.527 -0.002 0.000 0.298 214 F C 2.218 178.067 175.800 0.082 0.000 1.105 214 F CA 1.601 59.636 58.000 0.058 0.000 1.239 214 F CB -0.385 38.605 39.000 -0.015 0.000 0.991 214 F HN -0.056 nan 8.300 nan 0.000 0.474 215 A N -0.679 122.125 122.820 -0.027 0.000 1.898 215 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 215 A C 2.177 179.720 177.584 -0.069 0.000 1.181 215 A CA 2.078 54.059 52.037 -0.094 0.000 0.620 215 A CB -1.407 17.592 19.000 -0.001 0.000 0.819 215 A HN 0.429 nan 8.150 nan 0.000 0.442 216 T N -0.203 114.369 114.554 0.029 0.000 2.720 216 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 216 T C 1.974 176.584 174.700 -0.149 0.000 1.037 216 T CA 1.747 63.837 62.100 -0.015 0.000 1.144 216 T CB -0.211 68.714 68.868 0.094 0.000 0.864 216 T HN 0.606 nan 8.240 nan 0.000 0.444 217 K N 0.059 120.334 120.400 -0.208 0.000 2.074 217 K HA -0.086 4.233 4.320 -0.001 0.000 0.209 217 K C 0.870 177.079 176.600 -0.651 0.000 1.048 217 K CA 1.413 57.446 56.287 -0.424 0.000 0.926 217 K CB -0.174 32.033 32.500 -0.487 0.000 0.713 217 K HN 0.315 nan 8.250 nan 0.000 0.444 218 F N 0.071 119.834 119.950 -0.312 0.000 2.668 218 F HA 0.224 4.750 4.527 -0.001 0.000 0.297 218 F C 0.933 176.594 175.800 -0.231 0.000 1.124 218 F CA -0.113 57.709 58.000 -0.297 0.000 1.353 218 F CB 0.566 39.291 39.000 -0.459 0.000 0.992 218 F HN -0.053 nan 8.300 nan 0.000 0.524 219 L N -1.302 119.845 121.223 -0.126 0.000 2.749 219 L HA 0.131 4.470 4.340 -0.001 0.000 0.242 219 L C 2.061 178.847 176.870 -0.139 0.000 1.103 219 L CA 0.370 55.128 54.840 -0.137 0.000 0.906 219 L CB 0.100 42.026 42.059 -0.221 0.000 1.228 219 L HN 0.068 nan 8.230 nan 0.000 0.517 220 Q N 1.149 120.858 119.800 -0.152 0.000 2.172 220 Q HA -0.019 4.320 4.340 -0.001 0.000 0.200 220 Q C 0.570 176.509 176.000 -0.100 0.000 0.964 220 Q CA 1.198 56.922 55.803 -0.132 0.000 0.855 220 Q CB 0.366 29.022 28.738 -0.137 0.000 0.918 220 Q HN 0.294 nan 8.270 nan 0.000 0.444 221 K N 0.541 120.884 120.400 -0.095 0.000 2.695 221 K HA 0.570 4.889 4.320 -0.001 0.000 0.255 221 K C -1.232 175.340 176.600 -0.048 0.000 1.016 221 K CA -0.561 55.686 56.287 -0.068 0.000 0.928 221 K CB 1.411 33.871 32.500 -0.068 0.000 1.235 221 K HN 0.037 nan 8.250 nan 0.000 0.467 222 R N 0.849 121.327 120.500 -0.036 0.000 2.644 222 R HA 0.668 5.007 4.340 -0.001 0.000 0.257 222 R C 0.081 176.370 176.300 -0.019 0.000 1.082 222 R CA -0.251 55.837 56.100 -0.020 0.000 0.927 222 R CB 1.643 31.936 30.300 -0.011 0.000 1.258 222 R HN 0.759 nan 8.270 nan 0.000 0.459 229 I N 0.644 121.195 120.570 -0.032 0.000 2.716 229 I HA -0.033 4.136 4.170 -0.001 0.000 0.259 229 I C 1.556 177.655 176.117 -0.029 0.000 1.172 229 I CA 1.157 62.439 61.300 -0.029 0.000 1.478 229 I CB -0.623 37.359 38.000 -0.030 0.000 1.104 229 I HN 0.385 nan 8.210 nan 0.000 0.439 230 N N 0.365 119.044 118.700 -0.035 0.000 2.354 230 N HA -0.050 4.689 4.740 -0.001 0.000 0.179 230 N C 1.821 177.318 175.510 -0.022 0.000 1.021 230 N CA 1.130 54.159 53.050 -0.035 0.000 0.887 230 N CB 0.136 38.593 38.487 -0.051 0.000 0.974 230 N HN 0.574 nan 8.380 nan 0.000 0.437 231 L N 1.589 122.799 121.223 -0.022 0.000 2.072 231 L HA 0.046 4.385 4.340 -0.001 0.000 0.205 231 L C 2.024 178.884 176.870 -0.016 0.000 1.079 231 L CA 0.908 55.740 54.840 -0.014 0.000 0.752 231 L CB -0.623 41.422 42.059 -0.023 0.000 0.906 231 L HN 0.097 nan 8.230 nan 0.000 0.436 232 L N -1.237 119.972 121.223 -0.023 0.000 2.079 232 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 232 L C 2.418 179.275 176.870 -0.023 0.000 1.081 232 L CA 2.302 57.125 54.840 -0.027 0.000 0.752 232 L CB -0.892 41.151 42.059 -0.027 0.000 0.896 232 L HN 0.530 nan 8.230 nan 0.000 0.433 233 S N -1.018 114.674 115.700 -0.014 0.000 2.371 233 S HA -0.130 4.339 4.470 -0.001 0.000 0.224 233 S C 2.072 176.679 174.600 0.011 0.000 1.029 233 S CA 1.419 59.617 58.200 -0.003 0.000 0.978 233 S CB -0.047 63.150 63.200 -0.005 0.000 0.833 233 S HN 0.608 nan 8.310 nan 0.000 0.466 234 S N 1.375 117.086 115.700 0.018 0.000 2.370 234 S HA -0.012 4.457 4.470 -0.001 0.000 0.226 234 S C 1.716 176.325 174.600 0.015 0.000 1.033 234 S CA 1.498 59.725 58.200 0.045 0.000 1.011 234 S CB -0.467 62.770 63.200 0.061 0.000 0.852 234 S HN 0.533 nan 8.310 nan 0.000 0.457 235 I N 1.322 121.878 120.570 -0.023 0.000 2.179 235 I HA -0.202 3.967 4.170 -0.001 0.000 0.242 235 I C 2.527 178.587 176.117 -0.094 0.000 1.088 235 I CA 1.317 62.567 61.300 -0.082 0.000 1.357 235 I CB -0.390 37.556 38.000 -0.090 0.000 1.051 235 I HN 0.312 nan 8.210 nan 0.000 0.409 236 E N 0.468 120.637 120.200 -0.053 0.000 2.085 236 E HA -0.247 4.102 4.350 -0.001 0.000 0.194 236 E C 2.347 178.939 176.600 -0.013 0.000 0.994 236 E CA 1.157 57.533 56.400 -0.040 0.000 0.801 236 E CB -0.057 29.630 29.700 -0.021 0.000 0.743 236 E HN 0.337 nan 8.360 nan 0.000 0.453 237 R N 0.244 120.752 120.500 0.014 0.000 2.081 237 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 237 R C 2.287 178.604 176.300 0.028 0.000 1.131 237 R CA 1.266 57.393 56.100 0.046 0.000 0.960 237 R CB -0.249 30.101 30.300 0.084 0.000 0.856 237 R HN 0.126 nan 8.270 nan 0.000 0.436 238 A N 0.810 123.630 122.820 0.000 0.000 1.877 238 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 238 A C 2.099 179.681 177.584 -0.003 0.000 1.186 238 A CA 1.197 53.242 52.037 0.013 0.000 0.620 238 A CB -0.583 18.411 19.000 -0.010 0.000 0.822 238 A HN 0.216 nan 8.150 nan 0.000 0.443 239 L N -0.777 120.356 121.223 -0.150 0.000 2.191 239 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 239 L C 2.500 179.385 176.870 0.025 0.000 1.103 239 L CA 1.475 56.259 54.840 -0.094 0.000 0.769 239 L CB -0.562 41.407 42.059 -0.149 0.000 0.908 239 L HN 0.484 nan 8.230 nan 0.000 0.438 240 E N -0.529 119.686 120.200 0.025 0.000 2.072 240 E HA -0.035 4.314 4.350 -0.001 0.000 0.190 240 E C -0.013 176.603 176.600 0.026 0.000 0.982 240 E CA 0.630 57.067 56.400 0.062 0.000 0.803 240 E CB 0.401 30.164 29.700 0.104 0.000 0.755 240 E HN 0.060 nan 8.360 nan 0.000 0.453 241 L N 0.485 121.705 121.223 -0.006 0.000 2.710 241 L HA 0.269 4.608 4.340 -0.001 0.000 0.262 241 L C -2.811 173.968 176.870 -0.152 0.000 0.940 241 L CA -2.178 52.637 54.840 -0.041 0.000 0.944 241 L CB 1.968 44.044 42.059 0.028 0.000 1.348 241 L HN -0.238 nan 8.230 nan 0.000 0.425 242 P HA 0.027 nan 4.420 nan 0.000 0.269 242 P C 0.560 177.621 177.300 -0.399 0.000 1.209 242 P CA 0.113 62.804 63.100 -0.681 0.000 0.776 242 P CB 0.884 31.398 31.700 -1.976 0.000 0.876 243 T N 0.920 115.341 114.554 -0.221 0.000 2.803 243 T HA -0.247 4.103 4.350 -0.001 0.000 0.269 243 T C 1.622 176.261 174.700 -0.102 0.000 1.052 243 T CA 1.683 63.718 62.100 -0.110 0.000 1.136 243 T CB -0.903 67.932 68.868 -0.055 0.000 0.864 243 T HN 0.530 nan 8.240 nan 0.000 0.467 244 H N -1.336 117.559 119.070 -0.292 0.000 2.521 244 H HA 0.032 4.587 4.556 -0.001 0.000 0.286 244 H C 0.998 176.254 175.328 -0.119 0.000 1.034 244 H CA 1.101 57.015 56.048 -0.223 0.000 1.278 244 H CB -0.217 29.385 29.762 -0.267 0.000 1.386 244 H HN 0.450 nan 8.280 nan 0.000 0.567 245 W N 0.896 121.876 121.300 -0.533 0.000 3.278 245 W HA 0.285 4.945 4.660 -0.001 0.000 0.308 245 W C 0.162 176.563 176.519 -0.196 0.000 1.253 245 W CA -0.416 56.636 57.345 -0.488 0.000 1.759 245 W CB -0.057 29.115 29.460 -0.480 0.000 1.093 245 W HN -0.056 nan 8.180 nan 0.000 0.648 246 R N 0.993 121.512 120.500 0.032 0.000 2.254 246 R HA 0.310 4.649 4.340 -0.001 0.000 0.318 246 R C 0.451 176.695 176.300 -0.094 0.000 1.031 246 R CA -0.408 55.711 56.100 0.031 0.000 0.905 246 R CB 1.726 32.036 30.300 0.018 0.000 1.050 246 R HN -0.201 nan 8.270 nan 0.000 0.456 247 V N 0.854 120.655 119.914 -0.187 0.000 3.432 247 V HA -0.023 4.096 4.120 -0.001 0.000 0.304 247 V C 1.177 177.068 176.094 -0.339 0.000 1.107 247 V CA -0.152 61.966 62.300 -0.303 0.000 1.153 247 V CB 0.903 32.455 31.823 -0.452 0.000 1.072 247 V HN 0.876 nan 8.190 nan 0.000 0.485 248 Q N 0.257 119.895 119.800 -0.270 0.000 1.909 248 Q HA -0.032 4.307 4.340 -0.001 0.000 0.209 248 Q C 1.979 177.857 176.000 -0.204 0.000 0.974 248 Q CA 0.766 56.443 55.803 -0.210 0.000 0.851 248 Q CB -0.139 28.515 28.738 -0.141 0.000 0.904 248 Q HN 0.766 nan 8.270 nan 0.000 0.445 249 M N 0.580 120.092 119.600 -0.147 0.000 2.073 249 M HA -0.129 4.350 4.480 -0.001 0.000 0.258 249 M C -0.752 175.508 176.300 -0.067 0.000 1.070 249 M CA 1.711 56.989 55.300 -0.037 0.000 1.103 249 M CB -2.000 30.648 32.600 0.081 0.000 1.321 249 M HN 0.231 nan 8.290 nan 0.000 0.405 250 P HA -0.060 nan 4.420 nan 0.000 0.230 250 P C 0.821 177.843 177.300 -0.463 0.000 1.158 250 P CA 1.230 64.092 63.100 -0.396 0.000 0.769 250 P CB -0.285 30.881 31.700 -0.891 0.000 0.807 251 N N -0.656 117.734 118.700 -0.517 0.000 2.282 251 N HA 0.109 4.848 4.740 -0.001 0.000 0.185 251 N C 1.587 177.125 175.510 0.047 0.000 1.099 251 N CA 0.466 53.370 53.050 -0.243 0.000 0.878 251 N CB -0.384 37.905 38.487 -0.331 0.000 0.993 251 N HN -0.148 nan 8.380 nan 0.000 0.481 252 A N 1.032 123.887 122.820 0.059 0.000 1.908 252 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 252 A C 2.175 179.842 177.584 0.138 0.000 1.181 252 A CA 1.324 53.437 52.037 0.127 0.000 0.627 252 A CB -0.699 18.410 19.000 0.183 0.000 0.818 252 A HN 0.391 nan 8.150 nan 0.000 0.445 253 R N 0.397 120.973 120.500 0.127 0.000 2.096 253 R HA -0.182 4.157 4.340 -0.001 0.000 0.240 253 R C 2.445 178.830 176.300 0.141 0.000 1.139 253 R CA 2.325 58.431 56.100 0.010 0.000 0.952 253 R CB -0.397 29.959 30.300 0.094 0.000 0.854 253 R HN 0.658 nan 8.270 nan 0.000 0.436 254 S N -0.491 115.334 115.700 0.209 0.000 2.419 254 S HA -0.158 4.311 4.470 -0.001 0.000 0.233 254 S C 1.784 176.513 174.600 0.215 0.000 1.016 254 S CA 0.954 59.280 58.200 0.210 0.000 0.974 254 S CB -0.510 62.840 63.200 0.250 0.000 0.786 254 S HN 0.430 nan 8.310 nan 0.000 0.492 255 F N 2.216 122.214 119.950 0.079 0.000 2.149 255 F HA 0.233 4.759 4.527 -0.001 0.000 0.294 255 F C 1.959 177.806 175.800 0.079 0.000 1.095 255 F CA 0.613 58.656 58.000 0.071 0.000 1.276 255 F CB -0.325 38.695 39.000 0.034 0.000 1.023 255 F HN 0.106 nan 8.300 nan 0.000 0.480 256 I N 0.246 120.885 120.570 0.115 0.000 2.194 256 I HA -0.350 3.819 4.170 -0.001 0.000 0.246 256 I C 1.982 178.122 176.117 0.038 0.000 1.093 256 I CA 1.620 62.913 61.300 -0.013 0.000 1.355 256 I CB -0.638 37.206 38.000 -0.260 0.000 1.046 256 I HN 0.107 nan 8.210 nan 0.000 0.413 257 D N 1.045 121.502 120.400 0.096 0.000 2.123 257 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 257 D C 2.218 178.528 176.300 0.016 0.000 0.992 257 D CA 1.726 55.791 54.000 0.109 0.000 0.833 257 D CB -0.154 40.713 40.800 0.111 0.000 0.954 257 D HN 0.396 nan 8.370 nan 0.000 0.455 258 A N -0.319 122.471 122.820 -0.050 0.000 1.929 258 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 258 A C 2.126 179.603 177.584 -0.178 0.000 1.176 258 A CA 0.845 52.813 52.037 -0.116 0.000 0.628 258 A CB -0.830 18.084 19.000 -0.144 0.000 0.816 258 A HN 0.322 nan 8.150 nan 0.000 0.444 259 Y N 1.700 121.756 120.300 -0.407 0.000 2.293 259 Y HA -0.167 4.382 4.550 -0.001 0.000 0.291 259 Y C 2.195 177.994 175.900 -0.169 0.000 1.137 259 Y CA 2.004 59.881 58.100 -0.372 0.000 1.202 259 Y CB -0.098 38.089 38.460 -0.456 0.000 0.990 259 Y HN 0.443 nan 8.280 nan 0.000 0.537 260 K N -0.153 120.201 120.400 -0.076 0.000 2.439 260 K HA -0.030 4.290 4.320 -0.001 0.000 0.197 260 K C 1.321 177.841 176.600 -0.132 0.000 1.041 260 K CA 1.062 57.292 56.287 -0.094 0.000 0.970 260 K CB -0.187 32.337 32.500 0.039 0.000 0.773 260 K HN 0.252 nan 8.250 nan 0.000 0.479 261 R N 1.039 121.457 120.500 -0.136 0.000 2.359 261 R HA 0.165 4.504 4.340 -0.001 0.000 0.231 261 R C -0.043 176.168 176.300 -0.148 0.000 0.913 261 R CA -0.163 55.869 56.100 -0.113 0.000 1.075 261 R CB 0.252 30.506 30.300 -0.076 0.000 1.087 261 R HN 0.073 nan 8.270 nan 0.000 0.515 262 R N 1.142 121.498 120.500 -0.239 0.000 2.265 262 R HA 0.154 4.494 4.340 -0.001 0.000 0.319 262 R C -1.739 174.438 176.300 -0.205 0.000 1.006 262 R CA -1.951 54.014 56.100 -0.225 0.000 0.880 262 R CB 1.019 31.139 30.300 -0.301 0.000 1.077 262 R HN -0.134 nan 8.270 nan 0.000 0.454 263 P HA -0.210 nan 4.420 nan 0.000 0.217 263 P C 0.339 177.575 177.300 -0.106 0.000 1.148 263 P CA 1.365 64.404 63.100 -0.101 0.000 0.828 263 P CB 0.160 31.817 31.700 -0.072 0.000 0.783 264 D N -0.999 119.329 120.400 -0.119 0.000 2.395 264 D HA 0.050 4.690 4.640 -0.001 0.000 0.226 264 D C 0.469 176.691 176.300 -0.130 0.000 1.146 264 D CA -0.272 53.673 54.000 -0.092 0.000 0.830 264 D CB -0.683 40.086 40.800 -0.053 0.000 0.958 264 D HN 0.139 nan 8.370 nan 0.000 0.501 265 M N -0.094 119.361 119.600 -0.242 0.000 2.255 265 M HA 0.326 4.805 4.480 -0.001 0.000 0.336 265 M C -0.223 175.992 176.300 -0.141 0.000 1.135 265 M CA -0.644 54.420 55.300 -0.392 0.000 1.145 265 M CB 0.679 32.793 32.600 -0.811 0.000 1.473 265 M HN -0.239 nan 8.290 nan 0.000 0.462 266 N N 2.142 120.859 118.700 0.028 0.000 2.426 266 N HA 0.378 5.117 4.740 -0.001 0.000 0.257 266 N C -2.305 173.279 175.510 0.124 0.000 1.002 266 N CA -1.967 51.140 53.050 0.094 0.000 0.942 266 N CB 1.301 39.870 38.487 0.136 0.000 1.112 266 N HN 0.398 nan 8.380 nan 0.000 0.499 267 P HA -0.102 nan 4.420 nan 0.000 0.215 267 P C 1.071 178.416 177.300 0.076 0.000 1.157 267 P CA 1.631 64.769 63.100 0.062 0.000 0.874 267 P CB 0.218 31.939 31.700 0.035 0.000 0.790 268 T N -0.377 114.215 114.554 0.065 0.000 2.622 268 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 268 T C 1.884 176.627 174.700 0.071 0.000 1.047 268 T CA 1.624 63.759 62.100 0.059 0.000 1.159 268 T CB -1.228 67.667 68.868 0.044 0.000 0.863 268 T HN -0.132 nan 8.240 nan 0.000 0.422 269 V N 1.603 121.569 119.914 0.087 0.000 2.252 269 V HA -0.177 3.942 4.120 -0.001 0.000 0.249 269 V C 2.449 178.587 176.094 0.074 0.000 1.056 269 V CA 1.733 64.075 62.300 0.070 0.000 1.022 269 V CB -0.825 31.049 31.823 0.084 0.000 0.641 269 V HN 0.312 nan 8.190 nan 0.000 0.445 270 L N 0.139 121.471 121.223 0.183 0.000 1.990 270 L HA -0.235 4.104 4.340 -0.001 0.000 0.213 270 L C 2.467 179.377 176.870 0.068 0.000 1.072 270 L CA 2.373 57.308 54.840 0.158 0.000 0.755 270 L CB -0.813 41.377 42.059 0.218 0.000 0.889 270 L HN 0.397 nan 8.230 nan 0.000 0.432 271 E N -0.993 119.251 120.200 0.072 0.000 2.097 271 E HA -0.277 4.072 4.350 -0.001 0.000 0.196 271 E C 2.164 178.790 176.600 0.044 0.000 1.000 271 E CA 1.614 58.048 56.400 0.057 0.000 0.804 271 E CB -0.251 29.481 29.700 0.054 0.000 0.740 271 E HN 0.456 nan 8.360 nan 0.000 0.454 272 L N 0.266 121.515 121.223 0.043 0.000 2.156 272 L HA -0.020 4.319 4.340 -0.001 0.000 0.208 272 L C 2.068 178.964 176.870 0.043 0.000 1.095 272 L CA 1.815 56.678 54.840 0.039 0.000 0.770 272 L CB -0.391 41.699 42.059 0.053 0.000 0.914 272 L HN 0.052 nan 8.230 nan 0.000 0.439 273 A N -0.338 122.495 122.820 0.022 0.000 1.898 273 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 273 A C 2.307 179.870 177.584 -0.034 0.000 1.181 273 A CA 1.834 53.869 52.037 -0.004 0.000 0.620 273 A CB -0.408 18.552 19.000 -0.066 0.000 0.819 273 A HN 0.502 nan 8.150 nan 0.000 0.442 274 K N -0.794 119.555 120.400 -0.086 0.000 2.031 274 K HA -0.035 4.284 4.320 -0.001 0.000 0.205 274 K C 1.972 178.625 176.600 0.089 0.000 1.049 274 K CA 1.292 57.506 56.287 -0.121 0.000 0.939 274 K CB -0.432 32.034 32.500 -0.057 0.000 0.717 274 K HN 0.407 nan 8.250 nan 0.000 0.438 275 L N 1.767 123.038 121.223 0.080 0.000 2.131 275 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 275 L C 1.676 178.601 176.870 0.092 0.000 1.092 275 L CA 1.935 56.831 54.840 0.092 0.000 0.759 275 L CB -0.318 41.776 42.059 0.058 0.000 0.903 275 L HN 0.081 nan 8.230 nan 0.000 0.435 276 D N -1.493 118.960 120.400 0.089 0.000 2.162 276 D HA -0.214 4.425 4.640 -0.001 0.000 0.203 276 D C 1.928 178.268 176.300 0.067 0.000 0.967 276 D CA 1.013 55.059 54.000 0.077 0.000 0.840 276 D CB -0.176 40.687 40.800 0.104 0.000 0.972 276 D HN 0.388 nan 8.370 nan 0.000 0.482 277 F N 1.318 121.241 119.950 -0.045 0.000 2.065 277 F HA -0.257 4.269 4.527 -0.001 0.000 0.298 277 F C 1.973 177.758 175.800 -0.024 0.000 1.112 277 F CA 1.552 59.524 58.000 -0.047 0.000 1.212 277 F CB -0.347 38.614 39.000 -0.064 0.000 0.975 277 F HN -0.036 nan 8.300 nan 0.000 0.476 278 N N 0.174 119.008 118.700 0.224 0.000 2.223 278 N HA -0.179 4.560 4.740 -0.001 0.000 0.185 278 N C 1.931 177.422 175.510 -0.030 0.000 1.016 278 N CA 1.739 54.867 53.050 0.129 0.000 0.863 278 N CB -0.378 38.235 38.487 0.209 0.000 0.983 278 N HN 0.430 nan 8.380 nan 0.000 0.429 279 M N -0.005 119.570 119.600 -0.043 0.000 2.156 279 M HA -0.065 4.414 4.480 -0.001 0.000 0.264 279 M C 2.038 178.223 176.300 -0.192 0.000 1.067 279 M CA 0.949 56.202 55.300 -0.078 0.000 1.131 279 M CB -0.127 32.448 32.600 -0.042 0.000 1.368 279 M HN -0.111 nan 8.290 nan 0.000 0.416 280 V N 0.447 120.175 119.914 -0.311 0.000 2.427 280 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 280 V C 2.321 177.954 176.094 -0.769 0.000 1.051 280 V CA 1.887 63.843 62.300 -0.573 0.000 1.048 280 V CB -0.863 30.562 31.823 -0.664 0.000 0.666 280 V HN 0.564 nan 8.190 nan 0.000 0.456 281 Q N 0.260 119.715 119.800 -0.576 0.000 2.124 281 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 281 Q C 2.214 178.138 176.000 -0.126 0.000 0.977 281 Q CA 1.971 57.562 55.803 -0.354 0.000 0.850 281 Q CB -0.255 28.314 28.738 -0.282 0.000 0.901 281 Q HN 0.622 nan 8.270 nan 0.000 0.429 282 A N 0.639 123.390 122.820 -0.115 0.000 1.933 282 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 282 A C 1.989 179.557 177.584 -0.027 0.000 1.175 282 A CA 1.563 53.581 52.037 -0.032 0.000 0.628 282 A CB -0.671 18.316 19.000 -0.023 0.000 0.814 282 A HN 0.600 nan 8.150 nan 0.000 0.444 283 Q N -1.541 118.197 119.800 -0.103 0.000 2.084 283 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 283 Q C 1.727 177.794 176.000 0.112 0.000 0.978 283 Q CA 1.593 57.370 55.803 -0.043 0.000 0.844 283 Q CB -0.214 28.446 28.738 -0.130 0.000 0.898 283 Q HN 0.591 nan 8.270 nan 0.000 0.426 284 F N 1.224 121.176 119.950 0.004 0.000 2.126 284 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 284 F C 2.332 178.078 175.800 -0.090 0.000 1.096 284 F CA 1.270 59.302 58.000 0.054 0.000 1.255 284 F CB -0.926 38.135 39.000 0.101 0.000 0.997 284 F HN 0.213 nan 8.300 nan 0.000 0.479 285 Q N -0.247 119.642 119.800 0.147 0.000 2.096 285 Q HA -0.251 4.088 4.340 -0.001 0.000 0.204 285 Q C 2.146 178.152 176.000 0.009 0.000 0.982 285 Q CA 1.841 57.683 55.803 0.065 0.000 0.850 285 Q CB -0.369 28.434 28.738 0.109 0.000 0.901 285 Q HN 0.556 nan 8.270 nan 0.000 0.422 286 Q N 0.585 120.402 119.800 0.028 0.000 2.046 286 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 286 Q C 1.952 177.944 176.000 -0.014 0.000 0.975 286 Q CA 1.270 57.083 55.803 0.017 0.000 0.836 286 Q CB -0.042 28.716 28.738 0.034 0.000 0.896 286 Q HN 0.421 nan 8.270 nan 0.000 0.428 287 E N 0.743 120.939 120.200 -0.007 0.000 2.070 287 E HA -0.236 4.113 4.350 -0.001 0.000 0.197 287 E C 2.009 178.476 176.600 -0.222 0.000 1.004 287 E CA 1.099 57.476 56.400 -0.039 0.000 0.805 287 E CB -0.227 29.532 29.700 0.099 0.000 0.744 287 E HN 0.151 nan 8.360 nan 0.000 0.451 288 L N 1.666 122.587 121.223 -0.505 0.000 2.013 288 L HA -0.260 4.080 4.340 -0.001 0.000 0.212 288 L C 2.423 179.188 176.870 -0.175 0.000 1.073 288 L CA 2.915 57.413 54.840 -0.571 0.000 0.753 288 L CB -0.879 40.845 42.059 -0.558 0.000 0.890 288 L HN 0.048 nan 8.230 nan 0.000 0.432 289 K N -0.372 119.979 120.400 -0.081 0.000 2.097 289 K HA -0.220 4.099 4.320 -0.001 0.000 0.206 289 K C 2.133 178.750 176.600 0.029 0.000 1.049 289 K CA 1.775 58.061 56.287 -0.002 0.000 0.933 289 K CB -1.012 31.496 32.500 0.013 0.000 0.717 289 K HN 0.716 nan 8.250 nan 0.000 0.442 290 E N -0.461 119.749 120.200 0.018 0.000 2.072 290 E HA -0.024 4.326 4.350 -0.001 0.000 0.190 290 E C 2.340 179.006 176.600 0.111 0.000 0.982 290 E CA 0.816 57.252 56.400 0.061 0.000 0.803 290 E CB -0.179 29.546 29.700 0.042 0.000 0.755 290 E HN 0.519 nan 8.360 nan 0.000 0.453 291 A N 0.667 123.527 122.820 0.066 0.000 1.908 291 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 291 A C 2.331 180.087 177.584 0.287 0.000 1.181 291 A CA 1.998 54.125 52.037 0.149 0.000 0.627 291 A CB -0.945 18.097 19.000 0.070 0.000 0.818 291 A HN 0.357 nan 8.150 nan 0.000 0.445 292 S N -0.622 115.185 115.700 0.178 0.000 2.368 292 S HA -0.231 4.238 4.470 -0.001 0.000 0.225 292 S C 2.222 176.958 174.600 0.226 0.000 1.030 292 S CA 1.589 59.919 58.200 0.217 0.000 0.999 292 S CB -0.429 62.846 63.200 0.125 0.000 0.844 292 S HN 0.623 nan 8.310 nan 0.000 0.459 293 R N -0.933 119.671 120.500 0.174 0.000 2.091 293 R HA -0.172 4.167 4.340 -0.001 0.000 0.238 293 R C 2.216 178.617 176.300 0.168 0.000 1.136 293 R CA 1.961 58.144 56.100 0.137 0.000 0.959 293 R CB -0.722 29.649 30.300 0.119 0.000 0.856 293 R HN 0.679 nan 8.270 nan 0.000 0.437 294 W N 0.594 121.946 121.300 0.088 0.000 2.355 294 W HA -0.221 4.438 4.660 -0.002 0.000 0.309 294 W C 2.057 178.665 176.519 0.149 0.000 1.206 294 W CA 1.453 58.857 57.345 0.098 0.000 1.284 294 W CB -0.744 28.772 29.460 0.094 0.000 1.145 294 W HN 0.264 nan 8.180 nan 0.000 0.502 295 W N 1.713 122.969 121.300 -0.073 0.000 2.338 295 W HA -0.301 4.358 4.660 -0.001 0.000 0.304 295 W C 1.708 177.995 176.519 -0.387 0.000 1.212 295 W CA 1.787 58.891 57.345 -0.403 0.000 1.264 295 W CB -0.677 28.776 29.460 -0.011 0.000 1.142 295 W HN -0.093 nan 8.180 nan 0.000 0.512 296 N N 0.637 119.218 118.700 -0.198 0.000 2.104 296 N HA -0.217 4.522 4.740 -0.001 0.000 0.190 296 N C 1.976 177.279 175.510 -0.346 0.000 1.024 296 N CA 2.397 55.271 53.050 -0.293 0.000 0.853 296 N CB -1.107 37.324 38.487 -0.093 0.000 1.008 296 N HN 0.216 nan 8.380 nan 0.000 0.424 297 S N -0.061 115.458 115.700 -0.301 0.000 2.442 297 S HA -0.136 4.333 4.470 -0.001 0.000 0.236 297 S C 2.000 176.378 174.600 -0.370 0.000 1.007 297 S CA 1.723 59.763 58.200 -0.267 0.000 0.965 297 S CB -0.838 62.255 63.200 -0.180 0.000 0.773 297 S HN 0.534 nan 8.310 nan 0.000 0.504 298 T N -2.028 112.157 114.554 -0.613 0.000 2.867 298 T HA 0.247 4.596 4.350 -0.001 0.000 0.268 298 T C 1.906 176.333 174.700 -0.453 0.000 1.057 298 T CA 1.281 63.036 62.100 -0.575 0.000 1.136 298 T CB -1.311 67.076 68.868 -0.802 0.000 0.874 298 T HN 1.387 nan 8.240 nan 0.000 0.466 299 G N 1.115 109.603 108.800 -0.519 0.000 2.155 299 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.257 299 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.257 299 G C 0.746 175.388 174.900 -0.430 0.000 0.983 299 G CA 0.524 45.410 45.100 -0.357 0.000 0.676 299 G HN 0.572 nan 8.290 nan 0.000 0.528 300 L N -0.333 120.499 121.223 -0.650 0.000 2.141 300 L HA -0.072 4.267 4.340 -0.001 0.000 0.209 300 L C 2.904 179.496 176.870 -0.463 0.000 1.094 300 L CA 1.236 55.772 54.840 -0.506 0.000 0.763 300 L CB -0.450 41.267 42.059 -0.569 0.000 0.908 300 L HN 0.259 nan 8.230 nan 0.000 0.437 301 V N -0.611 118.880 119.914 -0.705 0.000 2.469 301 V HA -0.301 3.818 4.120 -0.001 0.000 0.251 301 V C 2.430 178.303 176.094 -0.369 0.000 1.064 301 V CA 1.611 63.623 62.300 -0.480 0.000 1.066 301 V CB -0.783 30.706 31.823 -0.557 0.000 0.667 301 V HN 0.495 nan 8.190 nan 0.000 0.461 302 H N -0.435 118.524 119.070 -0.186 0.000 2.448 302 H HA 0.059 4.614 4.556 -0.002 0.000 0.292 302 H C 2.228 177.489 175.328 -0.112 0.000 1.035 302 H CA 1.032 57.002 56.048 -0.130 0.000 1.349 302 H CB 0.125 29.810 29.762 -0.129 0.000 1.425 302 H HN 0.457 nan 8.280 nan 0.000 0.539 303 E N 0.570 120.753 120.200 -0.027 0.000 2.371 303 E HA 0.094 4.443 4.350 -0.001 0.000 0.194 303 E C 0.454 177.005 176.600 -0.082 0.000 1.012 303 E CA 0.206 56.587 56.400 -0.032 0.000 0.860 303 E CB 0.584 30.268 29.700 -0.027 0.000 0.811 303 E HN 0.340 nan 8.360 nan 0.000 0.502 304 L N 2.992 124.143 121.223 -0.121 0.000 2.556 304 L HA 0.277 4.616 4.340 -0.001 0.000 0.243 304 L C -2.172 174.604 176.870 -0.156 0.000 1.331 304 L CA -1.477 53.249 54.840 -0.189 0.000 0.927 304 L CB 0.966 42.949 42.059 -0.128 0.000 1.219 304 L HN -0.104 nan 8.230 nan 0.000 0.490 309 D N 0.046 120.562 120.400 0.194 0.000 2.502 309 D HA 0.074 4.713 4.640 -0.001 0.000 0.249 309 D C 0.569 176.884 176.300 0.024 0.000 1.188 309 D CA 0.610 54.742 54.000 0.220 0.000 0.890 309 D CB 0.816 41.724 40.800 0.180 0.000 1.140 309 D HN 0.488 nan 8.370 nan 0.000 0.505 310 R N 3.298 123.724 120.500 -0.123 0.000 2.509 310 R HA 0.175 4.515 4.340 -0.001 0.000 0.297 310 R C 1.645 177.805 176.300 -0.233 0.000 0.951 310 R CA -0.253 55.738 56.100 -0.182 0.000 1.103 310 R CB 0.081 30.268 30.300 -0.189 0.000 1.283 310 R HN 0.372 nan 8.270 nan 0.000 0.534 311 I N 0.062 120.469 120.570 -0.272 0.000 2.676 311 I HA -0.140 4.029 4.170 -0.001 0.000 0.259 311 I C 1.295 177.380 176.117 -0.054 0.000 1.194 311 I CA 1.063 62.198 61.300 -0.274 0.000 1.473 311 I CB 0.272 38.081 38.000 -0.319 0.000 1.096 311 I HN -0.040 nan 8.210 nan 0.000 0.443 312 V N 0.258 120.164 119.914 -0.014 0.000 2.287 312 V HA -0.313 3.806 4.120 -0.001 0.000 0.248 312 V C 2.381 178.505 176.094 0.050 0.000 1.053 312 V CA 2.161 64.502 62.300 0.068 0.000 1.027 312 V CB -0.890 30.983 31.823 0.084 0.000 0.646 312 V HN 0.438 nan 8.190 nan 0.000 0.447 313 E N -0.518 119.599 120.200 -0.138 0.000 2.038 313 E HA -0.242 4.107 4.350 -0.001 0.000 0.195 313 E C 2.300 178.987 176.600 0.145 0.000 1.000 313 E CA 1.969 58.220 56.400 -0.249 0.000 0.803 313 E CB -0.329 28.967 29.700 -0.674 0.000 0.750 313 E HN 0.648 nan 8.360 nan 0.000 0.448 314 C N 0.215 119.544 119.300 0.049 0.000 2.401 314 C HA -0.183 4.276 4.460 -0.001 0.000 0.276 314 C C 2.518 177.580 174.990 0.121 0.000 1.233 314 C CA 0.733 59.793 59.018 0.070 0.000 1.753 314 C CB -1.064 26.613 27.740 -0.105 0.000 2.029 314 C HN 0.500 nan 8.230 nan 0.000 0.478 315 Y N 0.119 120.428 120.300 0.015 0.000 2.200 315 Y HA -0.226 4.324 4.550 -0.002 0.000 0.290 315 Y C 2.497 178.409 175.900 0.020 0.000 1.137 315 Y CA 1.862 59.957 58.100 -0.009 0.000 1.163 315 Y CB -0.900 37.539 38.460 -0.035 0.000 0.988 315 Y HN 0.437 nan 8.280 nan 0.000 0.518 316 Y N -0.776 119.459 120.300 -0.108 0.000 2.207 316 Y HA -0.313 4.236 4.550 -0.002 0.000 0.287 316 Y C 1.828 177.599 175.900 -0.215 0.000 1.156 316 Y CA 1.678 59.675 58.100 -0.172 0.000 1.182 316 Y CB -0.976 37.504 38.460 0.033 0.000 0.979 316 Y HN 0.256 nan 8.280 nan 0.000 0.521 317 W N 0.555 121.717 121.300 -0.230 0.000 2.318 317 W HA -0.305 4.354 4.660 -0.001 0.000 0.313 317 W C 2.932 179.185 176.519 -0.444 0.000 1.221 317 W CA 3.189 60.360 57.345 -0.290 0.000 1.266 317 W CB -0.973 28.407 29.460 -0.132 0.000 1.150 317 W HN 0.254 nan 8.180 nan 0.000 0.496 318 T N -3.044 111.351 114.554 -0.264 0.000 2.881 318 T HA -0.211 4.138 4.350 -0.001 0.000 0.270 318 T C 1.639 176.025 174.700 -0.523 0.000 1.068 318 T CA 1.849 63.719 62.100 -0.384 0.000 1.131 318 T CB -1.071 67.519 68.868 -0.463 0.000 0.871 318 T HN 0.240 nan 8.240 nan 0.000 0.479 319 T N -1.571 112.512 114.554 -0.785 0.000 3.007 319 T HA 0.169 4.518 4.350 -0.001 0.000 0.270 319 T C 2.054 176.466 174.700 -0.479 0.000 1.107 319 T CA 1.026 62.656 62.100 -0.783 0.000 1.118 319 T CB -0.713 67.535 68.868 -1.034 0.000 0.889 319 T HN 0.507 nan 8.240 nan 0.000 0.506 320 G N 0.231 108.742 108.800 -0.481 0.000 2.673 320 G HA2 0.186 4.145 3.960 -0.001 0.000 0.208 320 G HA3 0.186 4.145 3.960 -0.001 0.000 0.208 320 G C 1.439 176.199 174.900 -0.234 0.000 1.128 320 G CA 0.365 45.230 45.100 -0.392 0.000 0.805 320 G HN 0.451 nan 8.290 nan 0.000 0.526 321 V N 0.748 120.557 119.914 -0.176 0.000 2.488 321 V HA 0.051 4.170 4.120 -0.001 0.000 0.246 321 V C 0.964 176.995 176.094 -0.106 0.000 1.046 321 V CA 0.825 63.064 62.300 -0.102 0.000 1.053 321 V CB 0.408 32.204 31.823 -0.046 0.000 0.679 321 V HN 0.069 nan 8.190 nan 0.000 0.458 322 V N 2.070 121.912 119.914 -0.119 0.000 2.257 322 V HA 0.188 4.307 4.120 -0.001 0.000 0.269 322 V C 1.278 177.347 176.094 -0.042 0.000 1.040 322 V CA -0.226 62.034 62.300 -0.068 0.000 0.813 322 V CB 0.710 32.499 31.823 -0.058 0.000 1.065 322 V HN 0.680 nan 8.190 nan 0.000 0.457 323 E N 3.879 124.056 120.200 -0.037 0.000 2.216 323 E HA 0.026 4.375 4.350 -0.001 0.000 0.192 323 E C 0.766 177.347 176.600 -0.032 0.000 0.988 323 E CA 0.134 56.509 56.400 -0.042 0.000 0.834 323 E CB 0.372 30.035 29.700 -0.060 0.000 0.772 323 E HN 0.505 nan 8.360 nan 0.000 0.479 324 R N 1.170 121.650 120.500 -0.034 0.000 2.539 324 R HA 0.233 4.572 4.340 -0.001 0.000 0.275 324 R C 0.985 177.181 176.300 -0.174 0.000 1.077 324 R CA -0.080 55.926 56.100 -0.156 0.000 1.097 324 R CB 0.847 30.945 30.300 -0.336 0.000 1.018 324 R HN 0.168 nan 8.270 nan 0.000 0.483 325 R N 1.056 121.423 120.500 -0.222 0.000 2.100 325 R HA -0.083 4.257 4.340 -0.001 0.000 0.220 325 R C 2.091 178.298 176.300 -0.155 0.000 1.091 325 R CA 0.801 56.811 56.100 -0.150 0.000 0.986 325 R CB 0.168 30.362 30.300 -0.177 0.000 0.888 325 R HN 0.603 nan 8.270 nan 0.000 0.444 326 Q N 0.131 119.754 119.800 -0.294 0.000 2.368 326 Q HA -0.187 4.152 4.340 -0.001 0.000 0.210 326 Q C 0.042 175.964 176.000 -0.129 0.000 0.982 326 Q CA 1.574 57.225 55.803 -0.253 0.000 0.884 326 Q CB -0.391 28.127 28.738 -0.366 0.000 0.933 326 Q HN 0.592 nan 8.270 nan 0.000 0.460 327 H N 0.420 119.454 119.070 -0.060 0.000 2.727 327 H HA 0.267 4.822 4.556 -0.001 0.000 0.312 327 H C 1.557 176.915 175.328 0.049 0.000 1.204 327 H CA -0.358 55.674 56.048 -0.026 0.000 1.122 327 H CB 0.245 29.949 29.762 -0.096 0.000 1.453 327 H HN 0.421 nan 8.280 nan 0.000 0.514 328 G N 0.446 109.351 108.800 0.175 0.000 2.440 328 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.218 328 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.218 328 G C 1.369 176.368 174.900 0.165 0.000 1.154 328 G CA 0.633 45.836 45.100 0.171 0.000 0.767 328 G HN 0.524 nan 8.290 nan 0.000 0.552 329 Y N 1.676 122.029 120.300 0.088 0.000 2.165 329 Y HA -0.136 4.413 4.550 -0.002 0.000 0.286 329 Y C 2.766 178.698 175.900 0.054 0.000 1.155 329 Y CA 2.228 60.369 58.100 0.068 0.000 1.164 329 Y CB -0.068 38.428 38.460 0.060 0.000 0.978 329 Y HN 0.279 nan 8.280 nan 0.000 0.513 330 E N -0.095 120.259 120.200 0.257 0.000 2.153 330 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 330 E C 2.265 178.867 176.600 0.004 0.000 0.988 330 E CA 1.237 57.717 56.400 0.133 0.000 0.811 330 E CB -0.178 29.555 29.700 0.056 0.000 0.746 330 E HN 0.421 nan 8.360 nan 0.000 0.466 331 R N -0.082 120.424 120.500 0.011 0.000 2.092 331 R HA 0.014 4.353 4.340 -0.001 0.000 0.231 331 R C 2.276 178.561 176.300 -0.026 0.000 1.119 331 R CA 1.037 57.113 56.100 -0.039 0.000 0.970 331 R CB -0.257 30.037 30.300 -0.011 0.000 0.864 331 R HN 0.219 nan 8.270 nan 0.000 0.440 332 I N 0.591 121.139 120.570 -0.036 0.000 2.252 332 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 332 I C 2.689 178.652 176.117 -0.256 0.000 1.102 332 I CA 1.112 62.350 61.300 -0.103 0.000 1.385 332 I CB -0.175 37.717 38.000 -0.181 0.000 1.064 332 I HN 0.229 nan 8.210 nan 0.000 0.414 333 M N 0.532 119.940 119.600 -0.320 0.000 2.117 333 M HA -0.235 4.244 4.480 -0.001 0.000 0.262 333 M C 2.268 178.461 176.300 -0.177 0.000 1.065 333 M CA 1.884 57.041 55.300 -0.238 0.000 1.114 333 M CB -0.051 32.494 32.600 -0.091 0.000 1.361 333 M HN 0.247 nan 8.290 nan 0.000 0.408 334 L N 0.375 121.526 121.223 -0.120 0.000 2.141 334 L HA -0.103 4.236 4.340 -0.001 0.000 0.209 334 L C 2.027 178.793 176.870 -0.174 0.000 1.094 334 L CA 1.926 56.699 54.840 -0.112 0.000 0.763 334 L CB -1.003 41.002 42.059 -0.092 0.000 0.908 334 L HN 0.310 nan 8.230 nan 0.000 0.437 335 T N -0.433 114.017 114.554 -0.174 0.000 2.746 335 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 335 T C 1.854 176.379 174.700 -0.292 0.000 1.039 335 T CA 1.684 63.690 62.100 -0.156 0.000 1.142 335 T CB -0.116 68.744 68.868 -0.015 0.000 0.866 335 T HN 0.380 nan 8.240 nan 0.000 0.444 336 K N 0.665 120.732 120.400 -0.554 0.000 2.026 336 K HA -0.006 4.313 4.320 -0.001 0.000 0.208 336 K C 2.245 178.456 176.600 -0.648 0.000 1.048 336 K CA 1.225 56.918 56.287 -0.991 0.000 0.929 336 K CB -0.382 31.099 32.500 -1.698 0.000 0.713 336 K HN 0.330 nan 8.250 nan 0.000 0.439 337 I N 1.726 121.984 120.570 -0.521 0.000 2.163 337 I HA -0.312 3.857 4.170 -0.001 0.000 0.243 337 I C 1.912 177.991 176.117 -0.064 0.000 1.085 337 I CA 1.085 62.280 61.300 -0.175 0.000 1.347 337 I CB -0.470 37.526 38.000 -0.006 0.000 1.044 337 I HN 0.191 nan 8.210 nan 0.000 0.408 338 N N 1.221 119.829 118.700 -0.153 0.000 2.061 338 N HA -0.182 4.557 4.740 -0.001 0.000 0.193 338 N C 1.865 177.305 175.510 -0.118 0.000 1.030 338 N CA 1.833 54.781 53.050 -0.171 0.000 0.856 338 N CB -0.471 37.875 38.487 -0.235 0.000 1.023 338 N HN 0.400 nan 8.380 nan 0.000 0.424 339 A N 0.781 123.515 122.820 -0.142 0.000 1.930 339 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 339 A C 2.397 180.000 177.584 0.032 0.000 1.175 339 A CA 0.846 52.782 52.037 -0.168 0.000 0.627 339 A CB -0.637 18.207 19.000 -0.260 0.000 0.815 339 A HN 0.224 nan 8.150 nan 0.000 0.443 340 L N -0.790 120.507 121.223 0.122 0.000 2.109 340 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 340 L C 2.481 179.516 176.870 0.274 0.000 1.086 340 L CA 0.686 55.660 54.840 0.223 0.000 0.760 340 L CB -0.348 41.797 42.059 0.142 0.000 0.910 340 L HN 0.240 nan 8.230 nan 0.000 0.437 341 V N -0.745 119.328 119.914 0.264 0.000 2.307 341 V HA -0.260 3.860 4.120 -0.001 0.000 0.245 341 V C 2.535 178.752 176.094 0.205 0.000 1.045 341 V CA 2.262 64.740 62.300 0.296 0.000 1.024 341 V CB -0.445 31.476 31.823 0.162 0.000 0.651 341 V HN 0.441 nan 8.190 nan 0.000 0.449 342 T N -0.601 114.012 114.554 0.099 0.000 2.746 342 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 342 T C 1.958 176.712 174.700 0.091 0.000 1.039 342 T CA 2.124 64.261 62.100 0.062 0.000 1.142 342 T CB -0.318 68.550 68.868 0.000 0.000 0.866 342 T HN 0.527 nan 8.240 nan 0.000 0.444 343 T N 2.012 116.645 114.554 0.131 0.000 2.708 343 T HA 0.025 4.374 4.350 -0.001 0.000 0.266 343 T C 1.951 176.748 174.700 0.161 0.000 1.037 343 T CA 0.973 63.172 62.100 0.164 0.000 1.146 343 T CB -0.355 68.662 68.868 0.248 0.000 0.865 343 T HN 0.325 nan 8.240 nan 0.000 0.435 344 I N 1.074 121.776 120.570 0.220 0.000 2.315 344 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 344 I C 2.489 178.712 176.117 0.177 0.000 1.117 344 I CA 1.191 62.641 61.300 0.250 0.000 1.404 344 I CB -0.391 37.860 38.000 0.418 0.000 1.071 344 I HN 0.198 nan 8.210 nan 0.000 0.419 345 D N 1.302 121.737 120.400 0.058 0.000 2.149 345 D HA -0.236 4.403 4.640 -0.001 0.000 0.198 345 D C 1.700 177.939 176.300 -0.102 0.000 0.990 345 D CA 1.508 55.351 54.000 -0.263 0.000 0.839 345 D CB -0.065 40.649 40.800 -0.144 0.000 0.948 345 D HN 0.196 nan 8.370 nan 0.000 0.460 346 D N -0.733 119.674 120.400 0.012 0.000 2.144 346 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 346 D C 2.237 178.581 176.300 0.073 0.000 0.978 346 D CA 0.399 54.421 54.000 0.036 0.000 0.833 346 D CB -0.178 40.650 40.800 0.048 0.000 0.961 346 D HN 0.138 nan 8.370 nan 0.000 0.470 347 V N 0.331 120.309 119.914 0.106 0.000 2.343 347 V HA -0.228 3.891 4.120 -0.001 0.000 0.247 347 V C 2.040 178.166 176.094 0.053 0.000 1.051 347 V CA 1.315 63.693 62.300 0.131 0.000 1.036 347 V CB -0.441 31.436 31.823 0.090 0.000 0.654 347 V HN 0.097 nan 8.190 nan 0.000 0.451 348 F N 0.184 120.078 119.950 -0.093 0.000 2.234 348 F HA -0.055 4.471 4.527 -0.002 0.000 0.296 348 F C 2.143 177.893 175.800 -0.084 0.000 1.089 348 F CA 1.748 59.691 58.000 -0.096 0.000 1.343 348 F CB -0.283 38.588 39.000 -0.214 0.000 1.040 348 F HN 0.223 nan 8.300 nan 0.000 0.498 349 D N -0.554 119.880 120.400 0.057 0.000 2.289 349 D HA -0.047 4.592 4.640 -0.001 0.000 0.207 349 D C 1.723 178.021 176.300 -0.004 0.000 0.966 349 D CA 1.115 55.117 54.000 0.004 0.000 0.868 349 D CB 0.284 41.065 40.800 -0.031 0.000 0.943 349 D HN 0.391 nan 8.370 nan 0.000 0.514 350 I N -3.685 116.900 120.570 0.024 0.000 4.866 350 I HA 0.226 4.395 4.170 -0.001 0.000 0.325 350 I C 0.935 177.082 176.117 0.050 0.000 1.240 350 I CA -0.357 60.960 61.300 0.028 0.000 1.355 350 I CB 0.177 38.200 38.000 0.040 0.000 1.395 350 I HN -0.138 nan 8.210 nan 0.000 0.479 351 Y N 2.203 122.460 120.300 -0.070 0.000 2.422 351 Y HA 0.577 5.126 4.550 -0.002 0.000 0.291 351 Y C 1.517 177.353 175.900 -0.107 0.000 1.144 351 Y CA 0.284 58.312 58.100 -0.121 0.000 1.208 351 Y CB -0.081 38.270 38.460 -0.183 0.000 1.195 351 Y HN 0.119 nan 8.280 nan 0.000 0.535 352 G N 0.797 109.548 108.800 -0.082 0.000 2.476 352 G HA2 0.392 4.351 3.960 -0.001 0.000 0.269 352 G HA3 0.392 4.351 3.960 -0.001 0.000 0.269 352 G C -0.373 174.456 174.900 -0.117 0.000 1.195 352 G CA 0.041 45.088 45.100 -0.088 0.000 0.843 352 G HN 0.294 nan 8.290 nan 0.000 0.545 353 T N -0.018 114.477 114.554 -0.097 0.000 2.882 353 T HA 0.186 4.535 4.350 -0.001 0.000 0.287 353 T C 1.548 176.207 174.700 -0.068 0.000 1.014 353 T CA -0.658 61.405 62.100 -0.061 0.000 1.049 353 T CB 1.289 70.118 68.868 -0.065 0.000 1.001 353 T HN 0.246 nan 8.240 nan 0.000 0.525 354 L N 0.903 122.076 121.223 -0.083 0.000 2.043 354 L HA -0.046 4.293 4.340 -0.001 0.000 0.212 354 L C 2.458 179.266 176.870 -0.103 0.000 1.075 354 L CA 1.913 56.678 54.840 -0.125 0.000 0.752 354 L CB -1.084 40.736 42.059 -0.399 0.000 0.891 354 L HN 0.814 nan 8.230 nan 0.000 0.432 355 E N -0.151 119.987 120.200 -0.104 0.000 2.058 355 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 355 E C 2.114 178.688 176.600 -0.043 0.000 0.997 355 E CA 1.768 58.128 56.400 -0.066 0.000 0.801 355 E CB -0.239 29.425 29.700 -0.060 0.000 0.746 355 E HN 0.584 nan 8.360 nan 0.000 0.450 356 E N 0.306 120.479 120.200 -0.046 0.000 2.085 356 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 356 E C 2.168 178.737 176.600 -0.053 0.000 0.994 356 E CA 0.859 57.239 56.400 -0.034 0.000 0.801 356 E CB -0.207 29.493 29.700 0.000 0.000 0.743 356 E HN 0.235 nan 8.360 nan 0.000 0.453 357 L N 0.854 121.991 121.223 -0.144 0.000 2.042 357 L HA -0.274 4.065 4.340 -0.001 0.000 0.210 357 L C 2.845 179.749 176.870 0.057 0.000 1.076 357 L CA 1.529 56.221 54.840 -0.248 0.000 0.749 357 L CB -0.590 41.265 42.059 -0.339 0.000 0.893 357 L HN 0.257 nan 8.230 nan 0.000 0.432 358 Q N 0.397 120.229 119.800 0.052 0.000 2.084 358 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 358 Q C 2.425 178.479 176.000 0.091 0.000 0.978 358 Q CA 1.451 57.308 55.803 0.090 0.000 0.844 358 Q CB -0.027 28.734 28.738 0.038 0.000 0.898 358 Q HN 0.503 nan 8.270 nan 0.000 0.426 359 L N -0.270 120.985 121.223 0.053 0.000 2.012 359 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 359 L C 2.399 179.302 176.870 0.055 0.000 1.073 359 L CA 1.486 56.341 54.840 0.024 0.000 0.748 359 L CB -0.561 41.494 42.059 -0.007 0.000 0.891 359 L HN 0.322 nan 8.230 nan 0.000 0.431 360 F N 0.629 120.567 119.950 -0.021 0.000 2.102 360 F HA -0.248 4.278 4.527 -0.001 0.000 0.298 360 F C 2.552 178.459 175.800 0.179 0.000 1.105 360 F CA 2.090 60.122 58.000 0.052 0.000 1.239 360 F CB -0.316 38.746 39.000 0.102 0.000 0.991 360 F HN -0.051 nan 8.300 nan 0.000 0.474 361 T N -0.930 113.891 114.554 0.445 0.000 2.746 361 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 361 T C 1.893 176.692 174.700 0.165 0.000 1.039 361 T CA 1.935 64.261 62.100 0.377 0.000 1.142 361 T CB -0.541 68.562 68.868 0.392 0.000 0.866 361 T HN 0.276 nan 8.240 nan 0.000 0.444 362 T N 1.739 116.352 114.554 0.098 0.000 2.821 362 T HA 0.018 4.367 4.350 -0.001 0.000 0.267 362 T C 2.349 177.036 174.700 -0.022 0.000 1.046 362 T CA 1.059 63.181 62.100 0.037 0.000 1.139 362 T CB -0.440 68.435 68.868 0.013 0.000 0.871 362 T HN 0.419 nan 8.240 nan 0.000 0.454 363 A N 1.660 124.399 122.820 -0.135 0.000 1.902 363 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 363 A C 2.212 179.746 177.584 -0.082 0.000 1.181 363 A CA 1.086 52.940 52.037 -0.305 0.000 0.623 363 A CB -0.645 17.922 19.000 -0.722 0.000 0.818 363 A HN 0.407 nan 8.150 nan 0.000 0.443 364 I N 0.035 120.629 120.570 0.040 0.000 2.264 364 I HA -0.279 3.890 4.170 -0.001 0.000 0.248 364 I C 2.593 178.945 176.117 0.392 0.000 1.111 364 I CA 1.614 63.130 61.300 0.360 0.000 1.382 364 I CB -1.484 36.693 38.000 0.295 0.000 1.060 364 I HN 0.511 nan 8.210 nan 0.000 0.418 365 Q N 0.023 119.950 119.800 0.213 0.000 2.084 365 Q HA -0.179 4.161 4.340 -0.001 0.000 0.202 365 Q C 2.349 178.460 176.000 0.185 0.000 0.978 365 Q CA 1.193 57.096 55.803 0.166 0.000 0.844 365 Q CB -0.117 28.680 28.738 0.098 0.000 0.898 365 Q HN 0.401 nan 8.270 nan 0.000 0.426 366 R N -0.117 120.473 120.500 0.150 0.000 2.092 366 R HA -0.138 4.202 4.340 -0.001 0.000 0.231 366 R C 0.587 177.063 176.300 0.293 0.000 1.119 366 R CA 0.399 56.583 56.100 0.138 0.000 0.970 366 R CB -0.497 29.820 30.300 0.028 0.000 0.864 366 R HN 0.512 nan 8.270 nan 0.000 0.440 367 W N 2.996 124.359 121.300 0.104 0.000 6.562 367 W HA -0.250 4.409 4.660 -0.002 0.000 0.418 367 W C -1.251 175.410 176.519 0.236 0.000 1.645 367 W CA 0.988 58.476 57.345 0.239 0.000 1.086 367 W CB -1.043 28.566 29.460 0.249 0.000 2.865 367 W HN 0.307 nan 8.180 nan 0.000 1.517 368 D N -0.999 119.365 120.400 -0.061 0.000 2.798 368 D HA 0.403 5.042 4.640 -0.001 0.000 0.308 368 D C 0.584 176.621 176.300 -0.438 0.000 1.187 368 D CA -0.657 53.255 54.000 -0.147 0.000 1.033 368 D CB -0.058 40.733 40.800 -0.015 0.000 1.445 368 D HN -0.165 nan 8.370 nan 0.000 0.550 369 I N -0.436 119.983 120.570 -0.252 0.000 3.265 369 I HA 0.042 4.211 4.170 -0.001 0.000 0.282 369 I C 1.966 177.968 176.117 -0.192 0.000 1.207 369 I CA 0.546 61.700 61.300 -0.244 0.000 1.449 369 I CB -0.805 37.130 38.000 -0.109 0.000 1.121 369 I HN 0.608 nan 8.210 nan 0.000 0.442 370 E N 1.495 121.608 120.200 -0.146 0.000 2.130 370 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 370 E C 2.151 178.645 176.600 -0.176 0.000 0.998 370 E CA 1.736 58.060 56.400 -0.126 0.000 0.806 370 E CB 0.023 29.671 29.700 -0.086 0.000 0.738 370 E HN 0.225 nan 8.360 nan 0.000 0.459 371 S N -0.029 115.521 115.700 -0.250 0.000 2.440 371 S HA -0.142 4.328 4.470 -0.001 0.000 0.238 371 S C 1.667 176.032 174.600 -0.393 0.000 1.010 371 S CA 1.124 59.121 58.200 -0.338 0.000 0.972 371 S CB -0.217 62.700 63.200 -0.473 0.000 0.774 371 S HN 0.352 nan 8.310 nan 0.000 0.501 372 M N 1.283 120.662 119.600 -0.368 0.000 2.260 372 M HA -0.157 4.322 4.480 -0.001 0.000 0.261 372 M C 1.847 178.033 176.300 -0.190 0.000 1.066 372 M CA 1.331 56.464 55.300 -0.279 0.000 1.082 372 M CB -0.906 31.587 32.600 -0.178 0.000 1.388 372 M HN 0.306 nan 8.290 nan 0.000 0.419 373 K N -0.035 120.268 120.400 -0.161 0.000 2.103 373 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 373 K C 1.987 178.521 176.600 -0.111 0.000 1.048 373 K CA 1.143 57.362 56.287 -0.114 0.000 0.930 373 K CB -0.016 32.426 32.500 -0.097 0.000 0.716 373 K HN 0.428 nan 8.250 nan 0.000 0.444 374 Q N 0.150 119.866 119.800 -0.141 0.000 2.331 374 Q HA 0.058 4.397 4.340 -0.001 0.000 0.203 374 Q C 0.671 176.604 176.000 -0.112 0.000 0.944 374 Q CA 0.581 56.314 55.803 -0.117 0.000 0.892 374 Q CB 0.092 28.753 28.738 -0.129 0.000 0.983 374 Q HN 0.306 nan 8.270 nan 0.000 0.482 375 L N 3.437 124.574 121.223 -0.144 0.000 2.357 375 L HA 0.341 4.680 4.340 -0.001 0.000 0.273 375 L C -2.037 174.773 176.870 -0.100 0.000 1.080 375 L CA -2.076 52.685 54.840 -0.132 0.000 0.803 375 L CB 0.741 42.697 42.059 -0.172 0.000 1.174 375 L HN -0.094 nan 8.230 nan 0.000 0.443 376 P HA 0.173 nan 4.420 nan 0.000 0.274 376 P C -2.367 174.899 177.300 -0.056 0.000 1.237 376 P CA -1.519 61.557 63.100 -0.040 0.000 0.793 376 P CB 0.445 32.157 31.700 0.020 0.000 0.977 377 P HA -0.231 nan 4.420 nan 0.000 0.217 377 P C 1.614 178.955 177.300 0.067 0.000 1.162 377 P CA 1.953 65.082 63.100 0.048 0.000 0.901 377 P CB -0.761 30.988 31.700 0.082 0.000 0.793 378 Y N -2.085 118.248 120.300 0.054 0.000 2.333 378 Y HA -0.050 4.499 4.550 -0.001 0.000 0.290 378 Y C 1.996 177.944 175.900 0.079 0.000 1.144 378 Y CA 1.076 59.200 58.100 0.039 0.000 1.228 378 Y CB -1.438 37.034 38.460 0.020 0.000 0.985 378 Y HN -0.096 nan 8.280 nan 0.000 0.542 379 M N 0.102 119.345 119.600 -0.596 0.000 2.388 379 M HA -0.095 4.384 4.480 -0.001 0.000 0.265 379 M C 2.093 178.420 176.300 0.044 0.000 1.088 379 M CA 1.088 56.213 55.300 -0.292 0.000 1.134 379 M CB -0.192 32.216 32.600 -0.321 0.000 1.384 379 M HN 0.359 nan 8.290 nan 0.000 0.447 380 Q N 0.397 120.182 119.800 -0.026 0.000 2.124 380 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 380 Q C 1.973 178.026 176.000 0.088 0.000 0.977 380 Q CA 1.270 57.083 55.803 0.017 0.000 0.850 380 Q CB 0.006 28.730 28.738 -0.023 0.000 0.901 380 Q HN 0.550 nan 8.270 nan 0.000 0.429 381 I N -0.757 119.855 120.570 0.069 0.000 3.228 381 I HA -0.150 4.019 4.170 -0.001 0.000 0.279 381 I C 1.645 177.818 176.117 0.093 0.000 1.221 381 I CA 0.131 61.466 61.300 0.059 0.000 1.458 381 I CB 0.193 38.207 38.000 0.023 0.000 1.105 381 I HN 0.268 nan 8.210 nan 0.000 0.445 382 C N 0.169 119.566 119.300 0.162 0.000 2.476 382 C HA -0.177 4.282 4.460 -0.001 0.000 0.278 382 C C 2.585 177.763 174.990 0.312 0.000 1.274 382 C CA 0.827 59.988 59.018 0.238 0.000 1.713 382 C CB -1.004 26.898 27.740 0.269 0.000 2.039 382 C HN 0.640 nan 8.230 nan 0.000 0.484 383 Y N 1.253 121.704 120.300 0.251 0.000 2.097 383 Y HA -0.202 4.347 4.550 -0.001 0.000 0.282 383 Y C 2.233 178.105 175.900 -0.046 0.000 1.152 383 Y CA 1.878 60.001 58.100 0.039 0.000 1.136 383 Y CB -0.600 37.756 38.460 -0.173 0.000 0.975 383 Y HN 0.212 nan 8.280 nan 0.000 0.498 384 L N 0.463 121.685 121.223 -0.002 0.000 2.141 384 L HA 0.011 4.350 4.340 -0.001 0.000 0.209 384 L C 2.398 179.253 176.870 -0.025 0.000 1.094 384 L CA 1.806 56.599 54.840 -0.077 0.000 0.763 384 L CB -1.192 40.886 42.059 0.032 0.000 0.908 384 L HN 0.316 nan 8.230 nan 0.000 0.437 385 A N -0.618 122.215 122.820 0.021 0.000 1.877 385 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 385 A C 2.215 179.864 177.584 0.110 0.000 1.186 385 A CA 1.950 54.033 52.037 0.075 0.000 0.620 385 A CB -0.951 18.092 19.000 0.073 0.000 0.822 385 A HN 0.447 nan 8.150 nan 0.000 0.443 386 L N -1.720 119.516 121.223 0.021 0.000 2.017 386 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 386 L C 2.189 178.985 176.870 -0.123 0.000 1.073 386 L CA 2.182 56.988 54.840 -0.055 0.000 0.745 386 L CB -0.828 41.141 42.059 -0.150 0.000 0.894 386 L HN 0.383 nan 8.230 nan 0.000 0.432 387 F N 0.791 120.401 119.950 -0.567 0.000 2.065 387 F HA -0.298 4.228 4.527 -0.002 0.000 0.298 387 F C 2.337 177.939 175.800 -0.331 0.000 1.112 387 F CA 2.153 59.686 58.000 -0.778 0.000 1.212 387 F CB -0.551 37.800 39.000 -1.082 0.000 0.975 387 F HN 0.268 nan 8.300 nan 0.000 0.476 388 N N -0.062 118.583 118.700 -0.092 0.000 2.084 388 N HA -0.213 4.526 4.740 -0.001 0.000 0.190 388 N C 1.849 177.353 175.510 -0.011 0.000 1.030 388 N CA 1.499 54.506 53.050 -0.072 0.000 0.849 388 N CB -1.094 37.421 38.487 0.047 0.000 1.012 388 N HN 0.404 nan 8.380 nan 0.000 0.423 389 F N 2.039 121.985 119.950 -0.007 0.000 2.043 389 F HA -0.222 4.304 4.527 -0.002 0.000 0.297 389 F C 2.120 177.919 175.800 -0.002 0.000 1.121 389 F CA 1.282 59.293 58.000 0.019 0.000 1.199 389 F CB -0.665 38.354 39.000 0.032 0.000 0.968 389 F HN -0.184 nan 8.300 nan 0.000 0.478 390 V N 1.138 120.904 119.914 -0.247 0.000 2.332 390 V HA -0.338 3.781 4.120 -0.001 0.000 0.248 390 V C 2.190 178.219 176.094 -0.108 0.000 1.055 390 V CA 2.221 64.431 62.300 -0.150 0.000 1.038 390 V CB -0.952 30.990 31.823 0.198 0.000 0.651 390 V HN 0.400 nan 8.190 nan 0.000 0.450 391 N N -0.162 118.436 118.700 -0.170 0.000 2.309 391 N HA -0.155 4.584 4.740 -0.001 0.000 0.182 391 N C 1.873 177.326 175.510 -0.095 0.000 1.018 391 N CA 1.207 54.160 53.050 -0.162 0.000 0.876 391 N CB -0.208 38.062 38.487 -0.362 0.000 0.972 391 N HN 0.658 nan 8.380 nan 0.000 0.434 392 E N 0.167 120.286 120.200 -0.134 0.000 2.072 392 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 392 E C 1.507 178.085 176.600 -0.036 0.000 0.985 392 E CA 0.766 57.127 56.400 -0.065 0.000 0.801 392 E CB 0.141 29.805 29.700 -0.060 0.000 0.750 392 E HN 0.094 nan 8.360 nan 0.000 0.452 393 M N 0.455 119.954 119.600 -0.169 0.000 2.159 393 M HA -0.096 4.383 4.480 -0.001 0.000 0.263 393 M C 2.405 178.710 176.300 0.007 0.000 1.063 393 M CA 1.409 56.670 55.300 -0.064 0.000 1.110 393 M CB -1.211 31.337 32.600 -0.086 0.000 1.374 393 M HN 0.196 nan 8.290 nan 0.000 0.411 394 A N -0.912 121.899 122.820 -0.015 0.000 1.902 394 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 394 A C 2.185 179.748 177.584 -0.036 0.000 1.181 394 A CA 1.338 53.341 52.037 -0.056 0.000 0.623 394 A CB -1.141 17.824 19.000 -0.059 0.000 0.818 394 A HN 0.486 nan 8.150 nan 0.000 0.443 395 Y N 1.154 121.405 120.300 -0.082 0.000 2.128 395 Y HA -0.270 4.279 4.550 -0.002 0.000 0.284 395 Y C 1.988 177.855 175.900 -0.054 0.000 1.154 395 Y CA 2.213 60.274 58.100 -0.065 0.000 1.149 395 Y CB -0.202 38.225 38.460 -0.055 0.000 0.976 395 Y HN 0.360 nan 8.280 nan 0.000 0.505 396 D N -0.925 119.543 120.400 0.115 0.000 2.133 396 D HA -0.181 4.459 4.640 -0.001 0.000 0.195 396 D C 2.132 178.384 176.300 -0.079 0.000 0.997 396 D CA 2.054 56.070 54.000 0.027 0.000 0.840 396 D CB -0.560 40.248 40.800 0.013 0.000 0.947 396 D HN 0.362 nan 8.370 nan 0.000 0.452 397 T N 0.749 115.259 114.554 -0.074 0.000 2.821 397 T HA -0.093 4.256 4.350 -0.001 0.000 0.267 397 T C 1.852 176.497 174.700 -0.092 0.000 1.046 397 T CA 0.354 62.414 62.100 -0.066 0.000 1.139 397 T CB -0.194 68.631 68.868 -0.072 0.000 0.871 397 T HN 0.038 nan 8.240 nan 0.000 0.454 398 L N 1.407 122.521 121.223 -0.180 0.000 2.056 398 L HA 0.091 4.430 4.340 -0.001 0.000 0.207 398 L C 2.470 179.194 176.870 -0.243 0.000 1.078 398 L CA 1.703 56.412 54.840 -0.218 0.000 0.749 398 L CB -0.508 41.365 42.059 -0.310 0.000 0.901 398 L HN 0.040 nan 8.230 nan 0.000 0.433 399 R N -0.670 119.621 120.500 -0.349 0.000 2.062 399 R HA -0.150 4.189 4.340 -0.001 0.000 0.231 399 R C 1.776 177.998 176.300 -0.130 0.000 1.136 399 R CA 1.960 57.897 56.100 -0.272 0.000 0.948 399 R CB -0.308 29.827 30.300 -0.275 0.000 0.845 399 R HN 0.416 nan 8.270 nan 0.000 0.430 400 D N 0.024 120.362 120.400 -0.102 0.000 2.162 400 D HA -0.059 4.580 4.640 -0.001 0.000 0.203 400 D C 1.022 177.296 176.300 -0.044 0.000 0.967 400 D CA 1.271 55.234 54.000 -0.063 0.000 0.840 400 D CB 0.187 40.949 40.800 -0.064 0.000 0.972 400 D HN 0.245 nan 8.370 nan 0.000 0.482 401 K N -0.731 119.649 120.400 -0.032 0.000 2.413 401 K HA 0.275 4.594 4.320 -0.001 0.000 0.204 401 K C 0.767 177.391 176.600 0.040 0.000 1.041 401 K CA 0.178 56.465 56.287 0.000 0.000 1.082 401 K CB 1.630 34.134 32.500 0.006 0.000 0.871 401 K HN 0.024 nan 8.250 nan 0.000 0.535 402 G N 2.036 110.839 108.800 0.005 0.000 2.258 402 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.274 402 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.274 402 G C -0.351 174.595 174.900 0.077 0.000 1.021 402 G CA 0.408 45.513 45.100 0.008 0.000 0.798 402 G HN 0.339 nan 8.290 nan 0.000 0.507 403 F N 0.521 120.421 119.950 -0.084 0.000 2.507 403 F HA 0.565 5.091 4.527 -0.001 0.000 0.325 403 F C -0.283 175.448 175.800 -0.116 0.000 1.116 403 F CA -1.757 56.203 58.000 -0.067 0.000 0.930 403 F CB 1.918 40.899 39.000 -0.031 0.000 1.146 403 F HN -0.005 nan 8.300 nan 0.000 0.447 404 D N 2.954 122.921 120.400 -0.722 0.000 2.393 404 D HA 0.114 4.753 4.640 -0.001 0.000 0.232 404 D C 0.614 176.585 176.300 -0.547 0.000 1.192 404 D CA 0.114 53.806 54.000 -0.514 0.000 0.882 404 D CB 0.881 41.435 40.800 -0.411 0.000 1.038 404 D HN 0.483 nan 8.370 nan 0.000 0.499 405 S N 1.154 116.649 115.700 -0.342 0.000 2.575 405 S HA -0.093 4.376 4.470 -0.001 0.000 0.215 405 S C 1.796 176.265 174.600 -0.219 0.000 0.966 405 S CA 0.455 58.446 58.200 -0.349 0.000 0.911 405 S CB -0.383 62.150 63.200 -1.111 0.000 0.780 405 S HN 0.498 nan 8.310 nan 0.000 0.514 406 T N 0.916 115.345 114.554 -0.208 0.000 2.699 406 T HA -0.047 4.302 4.350 -0.001 0.000 0.268 406 T C -0.309 174.249 174.700 -0.237 0.000 1.036 406 T CA 1.417 63.407 62.100 -0.182 0.000 1.147 406 T CB -2.085 66.708 68.868 -0.125 0.000 0.862 406 T HN 0.413 nan 8.240 nan 0.000 0.446 407 P HA -0.079 nan 4.420 nan 0.000 0.218 407 P C 0.891 177.911 177.300 -0.466 0.000 1.149 407 P CA 1.199 64.056 63.100 -0.405 0.000 0.817 407 P CB -0.299 31.091 31.700 -0.516 0.000 0.785 408 Y N -0.098 120.072 120.300 -0.217 0.000 2.243 408 Y HA -0.015 4.534 4.550 -0.001 0.000 0.293 408 Y C 2.665 178.491 175.900 -0.122 0.000 1.124 408 Y CA 0.790 58.731 58.100 -0.265 0.000 1.159 408 Y CB -1.371 36.854 38.460 -0.391 0.000 1.008 408 Y HN -0.228 nan 8.280 nan 0.000 0.527 409 L N -0.493 120.750 121.223 0.035 0.000 2.141 409 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 409 L C 2.432 179.267 176.870 -0.058 0.000 1.094 409 L CA 1.163 56.023 54.840 0.033 0.000 0.763 409 L CB -0.511 41.555 42.059 0.013 0.000 0.908 409 L HN 0.114 nan 8.230 nan 0.000 0.437 410 R N 0.406 120.704 120.500 -0.336 0.000 2.081 410 R HA -0.191 4.148 4.340 -0.001 0.000 0.235 410 R C 2.375 178.523 176.300 -0.253 0.000 1.131 410 R CA 1.476 57.221 56.100 -0.593 0.000 0.960 410 R CB -0.235 29.678 30.300 -0.645 0.000 0.856 410 R HN 0.270 nan 8.270 nan 0.000 0.436 411 K N 0.942 121.246 120.400 -0.160 0.000 2.020 411 K HA -0.168 4.151 4.320 -0.001 0.000 0.212 411 K C 2.044 178.649 176.600 0.008 0.000 1.050 411 K CA 2.091 58.339 56.287 -0.065 0.000 0.929 411 K CB -0.166 32.302 32.500 -0.054 0.000 0.714 411 K HN 0.200 nan 8.250 nan 0.000 0.443 412 V N -2.035 117.899 119.914 0.033 0.000 2.427 412 V HA -0.150 3.969 4.120 -0.001 0.000 0.248 412 V C 1.765 177.735 176.094 -0.207 0.000 1.051 412 V CA 1.408 63.667 62.300 -0.067 0.000 1.048 412 V CB -1.035 30.718 31.823 -0.117 0.000 0.666 412 V HN 0.429 nan 8.190 nan 0.000 0.456 413 W N 0.937 122.198 121.300 -0.065 0.000 2.409 413 W HA 0.055 4.714 4.660 -0.001 0.000 0.299 413 W C 2.774 179.275 176.519 -0.030 0.000 1.203 413 W CA 2.293 59.626 57.345 -0.021 0.000 1.298 413 W CB -0.471 29.013 29.460 0.041 0.000 1.127 413 W HN 0.275 nan 8.180 nan 0.000 0.528 414 V N -0.924 119.082 119.914 0.153 0.000 2.407 414 V HA -0.086 4.033 4.120 -0.001 0.000 0.248 414 V C 1.971 178.065 176.094 -0.000 0.000 1.055 414 V CA 2.318 64.679 62.300 0.102 0.000 1.049 414 V CB -1.589 30.273 31.823 0.065 0.000 0.662 414 V HN 0.175 nan 8.190 nan 0.000 0.455 415 G N 0.419 109.188 108.800 -0.052 0.000 2.440 415 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 415 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 415 G C 1.500 176.239 174.900 -0.268 0.000 1.154 415 G CA 1.338 46.358 45.100 -0.132 0.000 0.767 415 G HN 0.568 nan 8.290 nan 0.000 0.552 416 L N 0.664 121.694 121.223 -0.321 0.000 2.005 416 L HA 0.007 4.346 4.340 -0.001 0.000 0.207 416 L C 2.593 179.026 176.870 -0.730 0.000 1.072 416 L CA 1.406 55.918 54.840 -0.546 0.000 0.744 416 L CB -0.399 41.348 42.059 -0.520 0.000 0.895 416 L HN 0.090 nan 8.230 nan 0.000 0.433 417 I N 0.026 120.356 120.570 -0.399 0.000 2.208 417 I HA -0.272 3.897 4.170 -0.001 0.000 0.245 417 I C 2.558 178.537 176.117 -0.230 0.000 1.097 417 I CA 1.406 62.521 61.300 -0.309 0.000 1.363 417 I CB -1.507 36.596 38.000 0.171 0.000 1.051 417 I HN 0.446 nan 8.210 nan 0.000 0.413 418 E N 0.688 120.816 120.200 -0.121 0.000 2.153 418 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 418 E C 2.292 178.809 176.600 -0.139 0.000 0.988 418 E CA 1.671 58.034 56.400 -0.062 0.000 0.811 418 E CB -0.064 29.612 29.700 -0.039 0.000 0.746 418 E HN 0.571 nan 8.360 nan 0.000 0.466 419 S N 0.032 115.574 115.700 -0.264 0.000 2.402 419 S HA -0.178 4.291 4.470 -0.001 0.000 0.229 419 S C 1.879 176.363 174.600 -0.194 0.000 1.021 419 S CA 0.633 58.663 58.200 -0.284 0.000 0.974 419 S CB -0.387 62.586 63.200 -0.380 0.000 0.800 419 S HN 0.202 nan 8.310 nan 0.000 0.484 420 Y N 1.454 121.551 120.300 -0.339 0.000 2.097 420 Y HA 0.020 4.569 4.550 -0.002 0.000 0.282 420 Y C 2.462 178.277 175.900 -0.141 0.000 1.152 420 Y CA 0.523 58.390 58.100 -0.389 0.000 1.136 420 Y CB -1.352 36.499 38.460 -1.015 0.000 0.975 420 Y HN 0.329 nan 8.280 nan 0.000 0.498 421 L N 0.029 121.351 121.223 0.165 0.000 2.083 421 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 421 L C 2.208 179.121 176.870 0.071 0.000 1.083 421 L CA 1.408 56.432 54.840 0.307 0.000 0.752 421 L CB -0.844 41.411 42.059 0.327 0.000 0.899 421 L HN 0.162 nan 8.230 nan 0.000 0.433 422 I N -0.582 119.930 120.570 -0.096 0.000 2.208 422 I HA -0.338 3.831 4.170 -0.001 0.000 0.245 422 I C 2.513 178.213 176.117 -0.694 0.000 1.097 422 I CA 1.810 62.930 61.300 -0.300 0.000 1.363 422 I CB -0.263 37.539 38.000 -0.331 0.000 1.051 422 I HN 0.428 nan 8.210 nan 0.000 0.413 423 E N 0.901 120.710 120.200 -0.652 0.000 2.072 423 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 423 E C 2.246 178.766 176.600 -0.133 0.000 0.985 423 E CA 1.178 57.153 56.400 -0.708 0.000 0.801 423 E CB -0.014 29.471 29.700 -0.359 0.000 0.750 423 E HN 0.476 nan 8.360 nan 0.000 0.452 424 A N 1.171 124.021 122.820 0.050 0.000 1.902 424 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 424 A C 1.995 179.794 177.584 0.359 0.000 1.181 424 A CA 1.534 53.714 52.037 0.238 0.000 0.623 424 A CB -0.325 18.872 19.000 0.328 0.000 0.818 424 A HN 0.125 nan 8.150 nan 0.000 0.443 425 K N -1.347 119.214 120.400 0.268 0.000 2.211 425 K HA -0.163 4.156 4.320 -0.001 0.000 0.203 425 K C 1.733 178.591 176.600 0.430 0.000 1.050 425 K CA 1.131 57.626 56.287 0.345 0.000 0.945 425 K CB -0.194 32.426 32.500 0.199 0.000 0.732 425 K HN 0.673 nan 8.250 nan 0.000 0.451 426 W N 0.393 121.837 121.300 0.240 0.000 2.335 426 W HA -0.228 4.431 4.660 -0.001 0.000 0.311 426 W C 2.179 178.834 176.519 0.226 0.000 1.213 426 W CA 0.700 58.191 57.345 0.244 0.000 1.274 426 W CB -1.350 28.273 29.460 0.271 0.000 1.148 426 W HN 0.146 nan 8.180 nan 0.000 0.498 427 Y N -0.266 120.207 120.300 0.288 0.000 2.128 427 Y HA -0.326 4.223 4.550 -0.002 0.000 0.284 427 Y C 2.363 178.222 175.900 -0.068 0.000 1.154 427 Y CA 2.050 60.162 58.100 0.021 0.000 1.149 427 Y CB -1.244 37.103 38.460 -0.189 0.000 0.976 427 Y HN -0.080 nan 8.280 nan 0.000 0.505 428 Y N 0.287 120.619 120.300 0.054 0.000 2.421 428 Y HA -0.091 4.458 4.550 -0.001 0.000 0.292 428 Y C 2.066 177.947 175.900 -0.031 0.000 1.136 428 Y CA 1.556 59.608 58.100 -0.080 0.000 1.255 428 Y CB -0.284 38.205 38.460 0.049 0.000 0.991 428 Y HN 0.093 nan 8.280 nan 0.000 0.552 429 K N -0.759 119.756 120.400 0.191 0.000 2.404 429 K HA 0.212 4.531 4.320 -0.001 0.000 0.194 429 K C 1.339 178.011 176.600 0.121 0.000 1.023 429 K CA 0.546 56.931 56.287 0.163 0.000 1.094 429 K CB 0.210 32.837 32.500 0.211 0.000 0.841 429 K HN 0.314 nan 8.250 nan 0.000 0.523 430 G N 2.204 111.040 108.800 0.061 0.000 2.179 430 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.257 430 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.257 430 G C -0.290 174.640 174.900 0.051 0.000 1.010 430 G CA 0.439 45.550 45.100 0.017 0.000 0.736 430 G HN 0.548 nan 8.290 nan 0.000 0.513 431 H N 0.499 119.582 119.070 0.021 0.000 2.767 431 H HA 0.572 5.127 4.556 -0.001 0.000 0.316 431 H C 0.464 175.691 175.328 -0.169 0.000 1.059 431 H CA 1.116 57.125 56.048 -0.065 0.000 1.461 431 H CB 0.593 30.329 29.762 -0.043 0.000 1.475 431 H HN 0.588 nan 8.280 nan 0.000 0.531 432 K N 6.140 126.141 120.400 -0.665 0.000 2.527 432 K HA 0.350 4.669 4.320 -0.001 0.000 0.240 432 K C -2.872 173.365 176.600 -0.606 0.000 0.989 432 K CA -1.744 54.252 56.287 -0.486 0.000 0.985 432 K CB -0.172 32.165 32.500 -0.272 0.000 1.221 432 K HN 0.635 nan 8.250 nan 0.000 0.458 433 P HA 0.159 nan 4.420 nan 0.000 0.271 433 P C 0.199 177.367 177.300 -0.219 0.000 1.218 433 P CA -0.097 62.716 63.100 -0.479 0.000 0.780 433 P CB 1.164 32.500 31.700 -0.607 0.000 0.901 434 S N 1.960 117.595 115.700 -0.108 0.000 2.584 434 S HA 0.058 4.527 4.470 -0.001 0.000 0.270 434 S C 1.436 176.082 174.600 0.078 0.000 1.346 434 S CA -0.654 57.531 58.200 -0.024 0.000 1.018 434 S CB 0.145 63.346 63.200 0.003 0.000 0.899 434 S HN 0.483 nan 8.310 nan 0.000 0.542 435 L N 1.442 122.733 121.223 0.115 0.000 2.021 435 L HA -0.162 4.177 4.340 -0.001 0.000 0.215 435 L C 3.239 180.269 176.870 0.267 0.000 1.074 435 L CA 2.610 57.584 54.840 0.223 0.000 0.760 435 L CB -1.290 40.927 42.059 0.264 0.000 0.889 435 L HN 1.042 nan 8.230 nan 0.000 0.433 436 E N -0.332 119.985 120.200 0.195 0.000 2.070 436 E HA -0.361 3.988 4.350 -0.001 0.000 0.197 436 E C 1.991 178.714 176.600 0.205 0.000 1.004 436 E CA 1.786 58.296 56.400 0.182 0.000 0.805 436 E CB -0.854 28.926 29.700 0.133 0.000 0.744 436 E HN 0.749 nan 8.360 nan 0.000 0.451 437 E N -1.594 118.720 120.200 0.189 0.000 2.072 437 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 437 E C 2.080 178.869 176.600 0.315 0.000 0.985 437 E CA 1.058 57.589 56.400 0.218 0.000 0.801 437 E CB -0.324 29.471 29.700 0.157 0.000 0.750 437 E HN 0.693 nan 8.360 nan 0.000 0.452 438 Y N 0.609 121.019 120.300 0.183 0.000 2.128 438 Y HA -0.289 4.260 4.550 -0.001 0.000 0.284 438 Y C 2.139 178.223 175.900 0.307 0.000 1.154 438 Y CA 1.905 60.185 58.100 0.299 0.000 1.149 438 Y CB -0.119 38.449 38.460 0.180 0.000 0.976 438 Y HN 0.089 nan 8.280 nan 0.000 0.505 439 M N 0.770 120.549 119.600 0.297 0.000 2.117 439 M HA -0.221 4.258 4.480 -0.001 0.000 0.262 439 M C 2.232 178.692 176.300 0.268 0.000 1.065 439 M CA 1.794 57.221 55.300 0.212 0.000 1.114 439 M CB -1.277 31.477 32.600 0.258 0.000 1.361 439 M HN 0.315 nan 8.290 nan 0.000 0.408 440 K N -0.140 120.423 120.400 0.272 0.000 2.218 440 K HA -0.240 4.079 4.320 -0.001 0.000 0.205 440 K C 1.665 178.343 176.600 0.131 0.000 1.046 440 K CA 1.867 58.337 56.287 0.305 0.000 0.933 440 K CB -0.029 32.614 32.500 0.238 0.000 0.728 440 K HN 0.287 nan 8.250 nan 0.000 0.454 441 N N -0.716 118.003 118.700 0.032 0.000 2.439 441 N HA -0.051 4.688 4.740 -0.001 0.000 0.176 441 N C 1.437 176.757 175.510 -0.317 0.000 1.029 441 N CA 0.944 53.899 53.050 -0.158 0.000 0.886 441 N CB 0.258 38.713 38.487 -0.053 0.000 1.057 441 N HN 0.194 nan 8.380 nan 0.000 0.437 442 S N 0.029 115.538 115.700 -0.318 0.000 2.522 442 S HA -0.043 4.426 4.470 -0.001 0.000 0.227 442 S C 1.659 176.175 174.600 -0.139 0.000 0.986 442 S CA 0.139 58.123 58.200 -0.360 0.000 0.929 442 S CB -0.779 61.951 63.200 -0.784 0.000 0.769 442 S HN 0.610 nan 8.310 nan 0.000 0.529 443 W N 1.198 122.392 121.300 -0.177 0.000 2.905 443 W HA 0.318 4.977 4.660 -0.001 0.000 0.251 443 W C 0.965 177.366 176.519 -0.196 0.000 1.305 443 W CA -0.301 56.950 57.345 -0.158 0.000 1.465 443 W CB -0.427 28.953 29.460 -0.132 0.000 1.122 443 W HN 0.280 nan 8.180 nan 0.000 0.659 444 I N 1.887 121.919 120.570 -0.898 0.000 2.731 444 I HA -0.175 3.994 4.170 -0.001 0.000 0.260 444 I C 2.753 178.549 176.117 -0.535 0.000 1.138 444 I CA 1.391 62.134 61.300 -0.929 0.000 1.461 444 I CB -0.345 37.052 38.000 -1.004 0.000 1.128 444 I HN -0.091 nan 8.210 nan 0.000 0.438 445 S N 0.827 116.295 115.700 -0.388 0.000 2.522 445 S HA -0.071 4.398 4.470 -0.001 0.000 0.227 445 S C 1.897 176.452 174.600 -0.075 0.000 0.986 445 S CA 0.291 58.361 58.200 -0.217 0.000 0.929 445 S CB -0.483 62.647 63.200 -0.116 0.000 0.769 445 S HN 0.354 nan 8.310 nan 0.000 0.529 446 I N 2.357 122.858 120.570 -0.115 0.000 2.756 446 I HA 0.203 4.372 4.170 -0.001 0.000 0.262 446 I C 1.518 177.578 176.117 -0.095 0.000 1.225 446 I CA 0.896 62.163 61.300 -0.055 0.000 1.472 446 I CB -0.681 37.298 38.000 -0.034 0.000 1.094 446 I HN 0.552 nan 8.210 nan 0.000 0.454 447 G N -0.327 108.363 108.800 -0.184 0.000 2.165 447 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.226 447 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.226 447 G C 0.920 175.669 174.900 -0.251 0.000 1.035 447 G CA 0.180 45.141 45.100 -0.232 0.000 0.744 447 G HN 0.696 nan 8.290 nan 0.000 0.501 448 G N -0.422 108.237 108.800 -0.234 0.000 2.719 448 G HA2 0.313 4.272 3.960 -0.001 0.000 0.211 448 G HA3 0.313 4.272 3.960 -0.001 0.000 0.211 448 G C 1.707 176.472 174.900 -0.225 0.000 1.140 448 G CA 0.842 45.821 45.100 -0.201 0.000 0.790 448 G HN 0.550 nan 8.290 nan 0.000 0.529 449 I N 1.355 121.739 120.570 -0.309 0.000 2.226 449 I HA -0.092 4.077 4.170 -0.001 0.000 0.245 449 I C -0.318 175.615 176.117 -0.307 0.000 1.100 449 I CA 0.995 62.084 61.300 -0.352 0.000 1.374 449 I CB -0.647 37.023 38.000 -0.549 0.000 1.057 449 I HN 0.104 nan 8.210 nan 0.000 0.413 450 P HA -0.112 nan 4.420 nan 0.000 0.218 450 P C 1.843 179.112 177.300 -0.052 0.000 1.149 450 P CA 1.381 64.219 63.100 -0.436 0.000 0.817 450 P CB 0.055 31.142 31.700 -1.022 0.000 0.785 451 I N -1.155 119.357 120.570 -0.095 0.000 2.113 451 I HA -0.247 3.922 4.170 -0.001 0.000 0.238 451 I C 2.227 178.374 176.117 0.050 0.000 1.070 451 I CA 1.560 62.856 61.300 -0.007 0.000 1.332 451 I CB -0.728 37.214 38.000 -0.097 0.000 1.044 451 I HN -0.109 nan 8.210 nan 0.000 0.402 452 L N -0.369 120.850 121.223 -0.007 0.000 2.093 452 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 452 L C 2.726 179.671 176.870 0.126 0.000 1.085 452 L CA 1.150 56.042 54.840 0.087 0.000 0.755 452 L CB -0.625 41.450 42.059 0.026 0.000 0.904 452 L HN 0.257 nan 8.230 nan 0.000 0.435 453 S N -0.959 114.744 115.700 0.005 0.000 2.343 453 S HA -0.208 4.261 4.470 -0.001 0.000 0.219 453 S C 2.095 176.803 174.600 0.180 0.000 1.033 453 S CA 1.008 59.209 58.200 0.001 0.000 1.014 453 S CB -0.287 62.959 63.200 0.078 0.000 0.915 453 S HN 0.436 nan 8.310 nan 0.000 0.435 454 H N 0.825 120.066 119.070 0.286 0.000 2.387 454 H HA -0.024 4.531 4.556 -0.002 0.000 0.299 454 H C 2.153 177.633 175.328 0.254 0.000 1.099 454 H CA 1.658 57.914 56.048 0.348 0.000 1.315 454 H CB -0.384 29.575 29.762 0.329 0.000 1.380 454 H HN 0.365 nan 8.280 nan 0.000 0.513 455 L N -0.357 121.043 121.223 0.295 0.000 2.156 455 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 455 L C 2.487 179.440 176.870 0.140 0.000 1.095 455 L CA 0.475 55.433 54.840 0.197 0.000 0.770 455 L CB -0.413 41.740 42.059 0.156 0.000 0.914 455 L HN 0.114 nan 8.230 nan 0.000 0.439 456 F N 0.641 120.520 119.950 -0.118 0.000 2.095 456 F HA -0.286 4.240 4.527 -0.002 0.000 0.298 456 F C 2.041 177.550 175.800 -0.485 0.000 1.104 456 F CA 1.662 59.315 58.000 -0.579 0.000 1.232 456 F CB -0.327 37.977 39.000 -1.161 0.000 0.987 456 F HN -0.087 nan 8.300 nan 0.000 0.475 457 F N 0.404 120.243 119.950 -0.184 0.000 2.234 457 F HA -0.058 4.468 4.527 -0.001 0.000 0.299 457 F C 2.431 178.107 175.800 -0.206 0.000 1.087 457 F CA 0.981 58.827 58.000 -0.257 0.000 1.340 457 F CB -0.745 38.251 39.000 -0.007 0.000 1.031 457 F HN -0.140 nan 8.300 nan 0.000 0.500 458 R N 0.057 120.590 120.500 0.055 0.000 2.093 458 R HA 0.086 4.425 4.340 -0.001 0.000 0.224 458 R C 1.811 178.061 176.300 -0.084 0.000 1.101 458 R CA 0.871 56.975 56.100 0.006 0.000 0.979 458 R CB -0.766 29.571 30.300 0.063 0.000 0.877 458 R HN 0.316 nan 8.270 nan 0.000 0.441 459 L N 0.839 121.991 121.223 -0.119 0.000 2.700 459 L HA 0.167 4.506 4.340 -0.001 0.000 0.234 459 L C -0.175 176.655 176.870 -0.068 0.000 1.156 459 L CA 0.049 54.847 54.840 -0.070 0.000 0.946 459 L CB 0.463 42.509 42.059 -0.022 0.000 1.216 459 L HN -0.097 nan 8.230 nan 0.000 0.493 460 T N -1.054 113.338 114.554 -0.269 0.000 2.770 460 T HA 0.168 4.517 4.350 -0.001 0.000 0.283 460 T C 0.398 174.969 174.700 -0.216 0.000 0.988 460 T CA -0.640 61.261 62.100 -0.333 0.000 0.957 460 T CB 2.130 70.539 68.868 -0.766 0.000 0.930 460 T HN -0.050 nan 8.240 nan 0.000 0.443 461 D N 2.425 122.748 120.400 -0.129 0.000 2.088 461 D HA -0.068 4.571 4.640 -0.001 0.000 0.191 461 D C 1.241 177.480 176.300 -0.102 0.000 0.992 461 D CA 1.413 55.364 54.000 -0.082 0.000 0.831 461 D CB 0.001 40.769 40.800 -0.054 0.000 0.973 461 D HN 0.613 nan 8.370 nan 0.000 0.447 462 S N 0.777 116.405 115.700 -0.120 0.000 2.474 462 S HA 0.438 4.907 4.470 -0.001 0.000 0.321 462 S C -0.143 174.347 174.600 -0.184 0.000 1.080 462 S CA -0.977 57.154 58.200 -0.115 0.000 1.106 462 S CB 1.277 64.434 63.200 -0.073 0.000 0.984 462 S HN -0.018 nan 8.310 nan 0.000 0.464 463 I N 3.460 123.885 120.570 -0.242 0.000 2.396 463 I HA 0.348 4.517 4.170 -0.001 0.000 0.289 463 I C 0.512 176.403 176.117 -0.376 0.000 1.056 463 I CA 0.010 61.041 61.300 -0.448 0.000 1.365 463 I CB 0.063 37.617 38.000 -0.744 0.000 1.407 463 I HN 0.692 nan 8.210 nan 0.000 0.509 464 E N 4.805 124.856 120.200 -0.249 0.000 2.214 464 E HA 0.185 4.535 4.350 -0.001 0.000 0.274 464 E C 0.724 177.294 176.600 -0.049 0.000 0.977 464 E CA -0.446 55.902 56.400 -0.087 0.000 0.827 464 E CB 2.016 31.702 29.700 -0.023 0.000 1.130 464 E HN 0.514 nan 8.360 nan 0.000 0.394 465 E N 2.275 122.570 120.200 0.158 0.000 2.085 465 E HA -0.271 4.078 4.350 -0.001 0.000 0.194 465 E C 1.784 178.480 176.600 0.160 0.000 0.994 465 E CA 1.840 58.410 56.400 0.285 0.000 0.801 465 E CB 0.313 30.200 29.700 0.311 0.000 0.743 465 E HN 0.649 nan 8.360 nan 0.000 0.453 466 E N 0.439 120.701 120.200 0.103 0.000 2.110 466 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 466 E C 1.869 178.510 176.600 0.068 0.000 0.988 466 E CA 1.400 57.846 56.400 0.077 0.000 0.804 466 E CB -0.779 28.952 29.700 0.051 0.000 0.745 466 E HN 0.467 nan 8.360 nan 0.000 0.458 467 A N 0.851 123.709 122.820 0.063 0.000 1.873 467 A HA 0.295 4.615 4.320 -0.001 0.000 0.215 467 A C 2.863 180.452 177.584 0.009 0.000 1.186 467 A CA 2.394 54.506 52.037 0.125 0.000 0.616 467 A CB -0.791 18.316 19.000 0.178 0.000 0.823 467 A HN 1.011 nan 8.150 nan 0.000 0.442 468 A N -0.401 122.367 122.820 -0.088 0.000 1.883 468 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 468 A C 1.969 179.432 177.584 -0.201 0.000 1.186 468 A CA 1.814 53.613 52.037 -0.397 0.000 0.624 468 A CB -0.490 18.157 19.000 -0.589 0.000 0.822 468 A HN 0.466 nan 8.150 nan 0.000 0.444 469 E N -0.235 119.985 120.200 0.033 0.000 2.051 469 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 469 E C 2.390 179.041 176.600 0.085 0.000 0.991 469 E CA 1.331 57.829 56.400 0.163 0.000 0.799 469 E CB -0.639 29.157 29.700 0.159 0.000 0.748 469 E HN 0.574 nan 8.360 nan 0.000 0.449 470 S N 0.482 116.228 115.700 0.078 0.000 2.359 470 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 470 S C 1.906 176.612 174.600 0.177 0.000 1.035 470 S CA 1.394 59.688 58.200 0.156 0.000 1.018 470 S CB -0.148 63.190 63.200 0.229 0.000 0.876 470 S HN 0.200 nan 8.310 nan 0.000 0.448 471 M N 0.471 120.017 119.600 -0.091 0.000 2.132 471 M HA -0.092 4.387 4.480 -0.001 0.000 0.263 471 M C 1.026 177.108 176.300 -0.364 0.000 1.065 471 M CA 1.822 56.828 55.300 -0.489 0.000 1.122 471 M CB -0.818 30.836 32.600 -1.577 0.000 1.365 471 M HN 0.460 nan 8.290 nan 0.000 0.411 472 H N -0.498 118.419 119.070 -0.255 0.000 2.536 472 H HA 0.040 4.595 4.556 -0.001 0.000 0.276 472 H C 1.808 176.779 175.328 -0.595 0.000 1.019 472 H CA 0.242 56.122 56.048 -0.279 0.000 1.159 472 H CB -0.060 29.671 29.762 -0.053 0.000 1.373 472 H HN 0.150 nan 8.280 nan 0.000 0.584 473 K N -0.060 120.211 120.400 -0.214 0.000 2.002 473 K HA -0.075 4.244 4.320 -0.001 0.000 0.209 473 K C 0.077 176.537 176.600 -0.232 0.000 1.048 473 K CA 1.179 57.359 56.287 -0.179 0.000 0.930 473 K CB -0.204 32.281 32.500 -0.025 0.000 0.714 473 K HN 0.360 nan 8.250 nan 0.000 0.438 474 Y N -0.302 120.064 120.300 0.109 0.000 2.376 474 Y HA 0.384 4.933 4.550 -0.001 0.000 0.325 474 Y C 0.403 176.332 175.900 0.047 0.000 1.199 474 Y CA -0.953 57.202 58.100 0.092 0.000 1.206 474 Y CB 0.747 39.325 38.460 0.197 0.000 1.229 474 Y HN 0.255 nan 8.280 nan 0.000 0.480 475 H N 2.041 121.204 119.070 0.155 0.000 2.815 475 H HA -0.026 4.529 4.556 -0.002 0.000 0.350 475 H C 0.601 175.962 175.328 0.055 0.000 1.080 475 H CA 0.294 56.414 56.048 0.120 0.000 1.433 475 H CB 0.799 30.704 29.762 0.238 0.000 1.432 475 H HN 0.711 nan 8.280 nan 0.000 0.592 476 D N 4.098 124.442 120.400 -0.093 0.000 2.228 476 D HA -0.213 4.426 4.640 -0.001 0.000 0.203 476 D C 2.097 178.427 176.300 0.050 0.000 0.988 476 D CA 1.157 55.126 54.000 -0.052 0.000 0.864 476 D CB 0.012 40.748 40.800 -0.107 0.000 0.928 476 D HN 0.630 nan 8.370 nan 0.000 0.469 477 I N 0.285 121.052 120.570 0.328 0.000 2.394 477 I HA -0.220 3.949 4.170 -0.001 0.000 0.251 477 I C 1.996 178.098 176.117 -0.025 0.000 1.136 477 I CA 0.682 62.051 61.300 0.115 0.000 1.425 477 I CB 0.237 38.327 38.000 0.150 0.000 1.079 477 I HN -0.166 nan 8.210 nan 0.000 0.425 478 V N 1.072 121.012 119.914 0.044 0.000 2.379 478 V HA -0.240 3.879 4.120 -0.001 0.000 0.245 478 V C 2.583 178.596 176.094 -0.134 0.000 1.044 478 V CA 2.040 64.321 62.300 -0.032 0.000 1.036 478 V CB -0.794 31.060 31.823 0.051 0.000 0.664 478 V HN 0.451 nan 8.190 nan 0.000 0.453 479 R N 0.385 120.720 120.500 -0.274 0.000 2.081 479 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 479 R C 2.260 178.252 176.300 -0.514 0.000 1.131 479 R CA 1.671 57.327 56.100 -0.739 0.000 0.960 479 R CB -0.421 29.363 30.300 -0.860 0.000 0.856 479 R HN 0.471 nan 8.270 nan 0.000 0.436 480 A N -0.013 122.601 122.820 -0.344 0.000 1.877 480 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 480 A C 2.201 179.581 177.584 -0.341 0.000 1.186 480 A CA 1.843 53.687 52.037 -0.321 0.000 0.620 480 A CB -0.946 17.892 19.000 -0.271 0.000 0.822 480 A HN 0.474 nan 8.150 nan 0.000 0.443 481 S N -0.940 114.575 115.700 -0.309 0.000 2.353 481 S HA -0.222 4.247 4.470 -0.001 0.000 0.222 481 S C 1.994 176.468 174.600 -0.209 0.000 1.035 481 S CA 1.795 59.812 58.200 -0.306 0.000 1.025 481 S CB -0.854 62.187 63.200 -0.265 0.000 0.902 481 S HN 0.665 nan 8.310 nan 0.000 0.440 482 C N 1.036 120.264 119.300 -0.120 0.000 2.422 482 C HA 0.003 4.462 4.460 -0.001 0.000 0.279 482 C C 2.836 177.832 174.990 0.011 0.000 1.305 482 C CA 1.249 60.265 59.018 -0.003 0.000 1.757 482 C CB -1.816 26.047 27.740 0.204 0.000 1.962 482 C HN 0.664 nan 8.230 nan 0.000 0.499 483 T N 1.267 115.773 114.554 -0.079 0.000 2.777 483 T HA -0.028 4.321 4.350 -0.001 0.000 0.266 483 T C 1.635 176.279 174.700 -0.094 0.000 1.040 483 T CA 1.181 63.235 62.100 -0.077 0.000 1.141 483 T CB -0.196 68.556 68.868 -0.194 0.000 0.868 483 T HN 0.492 nan 8.240 nan 0.000 0.444 484 I N 0.706 121.167 120.570 -0.182 0.000 2.315 484 I HA -0.094 4.075 4.170 -0.001 0.000 0.248 484 I C 2.267 178.336 176.117 -0.081 0.000 1.117 484 I CA 0.603 61.786 61.300 -0.194 0.000 1.404 484 I CB -0.309 37.450 38.000 -0.402 0.000 1.071 484 I HN 0.170 nan 8.210 nan 0.000 0.419 485 L N 1.348 122.540 121.223 -0.052 0.000 2.012 485 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 485 L C 2.616 179.522 176.870 0.061 0.000 1.073 485 L CA 1.933 56.802 54.840 0.049 0.000 0.748 485 L CB -0.681 41.390 42.059 0.020 0.000 0.891 485 L HN 0.100 nan 8.230 nan 0.000 0.431 486 R N -0.446 120.073 120.500 0.033 0.000 2.070 486 R HA -0.131 4.208 4.340 -0.001 0.000 0.233 486 R C 2.043 178.365 176.300 0.037 0.000 1.137 486 R CA 1.933 58.060 56.100 0.045 0.000 0.945 486 R CB -1.143 29.200 30.300 0.072 0.000 0.845 486 R HN 0.360 nan 8.270 nan 0.000 0.430 487 L N 0.667 121.906 121.223 0.027 0.000 2.042 487 L HA 0.003 4.342 4.340 -0.001 0.000 0.210 487 L C 2.396 179.260 176.870 -0.010 0.000 1.076 487 L CA 2.168 57.018 54.840 0.016 0.000 0.749 487 L CB -1.387 40.666 42.059 -0.010 0.000 0.893 487 L HN 0.404 nan 8.230 nan 0.000 0.432 488 A N -1.128 121.689 122.820 -0.005 0.000 1.898 488 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 488 A C 2.202 179.689 177.584 -0.161 0.000 1.181 488 A CA 1.736 53.779 52.037 0.011 0.000 0.620 488 A CB -0.618 18.458 19.000 0.127 0.000 0.819 488 A HN 0.466 nan 8.150 nan 0.000 0.442 489 D N 0.098 120.344 120.400 -0.256 0.000 2.078 489 D HA -0.177 4.462 4.640 -0.001 0.000 0.193 489 D C 1.175 177.237 176.300 -0.396 0.000 0.990 489 D CA 1.641 55.250 54.000 -0.651 0.000 0.827 489 D CB -0.262 40.380 40.800 -0.263 0.000 0.975 489 D HN 0.318 nan 8.370 nan 0.000 0.451 490 D N -0.089 120.226 120.400 -0.141 0.000 2.133 490 D HA -0.157 4.482 4.640 -0.001 0.000 0.195 490 D C 2.024 178.287 176.300 -0.062 0.000 0.997 490 D CA 0.723 54.693 54.000 -0.050 0.000 0.840 490 D CB -0.256 40.570 40.800 0.044 0.000 0.947 490 D HN 0.288 nan 8.370 nan 0.000 0.452 491 M N 0.032 119.593 119.600 -0.064 0.000 2.549 491 M HA 0.037 4.517 4.480 -0.001 0.000 0.260 491 M C 2.107 178.390 176.300 -0.029 0.000 1.076 491 M CA 0.574 55.858 55.300 -0.027 0.000 1.090 491 M CB -0.982 31.618 32.600 0.000 0.000 1.418 491 M HN -0.000 nan 8.290 nan 0.000 0.486 492 G N 0.325 109.059 108.800 -0.110 0.000 2.403 492 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.216 492 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.216 492 G C 1.020 175.913 174.900 -0.011 0.000 1.154 492 G CA 0.946 46.010 45.100 -0.059 0.000 0.784 492 G HN 0.517 nan 8.290 nan 0.000 0.538 505 K N -0.804 119.462 120.400 -0.223 0.000 2.372 505 K HA 0.717 5.037 4.320 -0.001 0.000 0.251 505 K C 0.545 176.797 176.600 -0.580 0.000 1.055 505 K CA -0.581 55.530 56.287 -0.294 0.000 0.879 505 K CB 1.221 33.685 32.500 -0.060 0.000 1.384 505 K HN 0.063 nan 8.250 nan 0.000 0.465 506 S N 0.110 115.625 115.700 -0.308 0.000 2.351 506 S HA -0.138 4.331 4.470 -0.001 0.000 0.220 506 S C 1.907 176.475 174.600 -0.053 0.000 1.035 506 S CA 1.638 59.755 58.200 -0.137 0.000 1.031 506 S CB -0.453 62.795 63.200 0.081 0.000 0.928 506 S HN 0.426 nan 8.310 nan 0.000 0.433 507 V N 1.913 121.817 119.914 -0.016 0.000 2.255 507 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 507 V C 3.132 179.258 176.094 0.054 0.000 1.051 507 V CA 2.386 64.711 62.300 0.041 0.000 1.018 507 V CB -1.697 30.143 31.823 0.029 0.000 0.641 507 V HN 0.688 nan 8.190 nan 0.000 0.445 508 Q N -1.517 118.270 119.800 -0.022 0.000 2.061 508 Q HA -0.342 3.997 4.340 -0.001 0.000 0.204 508 Q C 2.170 178.133 176.000 -0.061 0.000 0.984 508 Q CA 2.512 58.291 55.803 -0.039 0.000 0.846 508 Q CB -1.757 26.944 28.738 -0.061 0.000 0.902 508 Q HN 0.741 nan 8.270 nan 0.000 0.421 509 C N -1.050 118.168 119.300 -0.137 0.000 2.419 509 C HA 0.095 4.554 4.460 -0.001 0.000 0.283 509 C C 1.539 176.530 174.990 0.002 0.000 1.373 509 C CA -0.212 58.727 59.018 -0.133 0.000 1.781 509 C CB -1.290 26.280 27.740 -0.283 0.000 1.886 509 C HN 0.689 nan 8.230 nan 0.000 0.520 518 E N 1.762 122.000 120.200 0.063 0.000 2.442 518 E HA 0.329 4.678 4.350 -0.001 0.000 0.260 518 E C 1.614 178.254 176.600 0.067 0.000 1.148 518 E CA 0.753 57.189 56.400 0.060 0.000 0.976 518 E CB 0.108 29.849 29.700 0.067 0.000 0.967 518 E HN 0.712 nan 8.360 nan 0.000 0.454 519 E N 1.546 121.777 120.200 0.052 0.000 2.271 519 E HA -0.366 3.983 4.350 -0.001 0.000 0.209 519 E C 1.762 178.403 176.600 0.067 0.000 1.046 519 E CA 2.139 58.570 56.400 0.052 0.000 0.840 519 E CB -0.675 29.051 29.700 0.042 0.000 0.738 519 E HN 0.521 nan 8.360 nan 0.000 0.470 520 E N -0.572 119.681 120.200 0.089 0.000 2.112 520 E HA 0.207 4.556 4.350 -0.001 0.000 0.190 520 E C 2.262 178.949 176.600 0.145 0.000 0.979 520 E CA 1.227 57.698 56.400 0.118 0.000 0.814 520 E CB -0.498 29.284 29.700 0.136 0.000 0.762 520 E HN 0.539 nan 8.360 nan 0.000 0.460 521 A N 0.395 123.331 122.820 0.192 0.000 1.972 521 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 521 A C 2.239 179.822 177.584 -0.001 0.000 1.169 521 A CA 1.564 53.683 52.037 0.136 0.000 0.635 521 A CB -0.410 18.777 19.000 0.311 0.000 0.810 521 A HN 0.153 nan 8.150 nan 0.000 0.446 522 R N -0.652 119.872 120.500 0.041 0.000 2.075 522 R HA -0.085 4.254 4.340 -0.001 0.000 0.232 522 R C 2.029 178.339 176.300 0.016 0.000 1.126 522 R CA 1.293 57.408 56.100 0.025 0.000 0.963 522 R CB -0.102 30.221 30.300 0.039 0.000 0.858 522 R HN 0.434 nan 8.270 nan 0.000 0.435 523 E N -0.620 119.601 120.200 0.034 0.000 2.106 523 E HA -0.216 4.133 4.350 -0.001 0.000 0.192 523 E C 1.735 178.344 176.600 0.015 0.000 0.984 523 E CA 1.261 57.684 56.400 0.038 0.000 0.806 523 E CB -0.236 29.499 29.700 0.058 0.000 0.750 523 E HN 0.459 nan 8.360 nan 0.000 0.458 524 H N 0.511 119.499 119.070 -0.136 0.000 2.353 524 H HA -0.054 4.501 4.556 -0.002 0.000 0.300 524 H C 1.976 177.198 175.328 -0.177 0.000 1.090 524 H CA 1.730 57.639 56.048 -0.231 0.000 1.327 524 H CB -0.072 29.308 29.762 -0.636 0.000 1.383 524 H HN -0.085 nan 8.280 nan 0.000 0.508 525 V N 0.805 120.580 119.914 -0.232 0.000 2.307 525 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 525 V C 2.521 178.544 176.094 -0.117 0.000 1.045 525 V CA 2.206 64.389 62.300 -0.194 0.000 1.024 525 V CB -0.500 31.279 31.823 -0.072 0.000 0.651 525 V HN 0.380 nan 8.190 nan 0.000 0.449 526 R N 1.061 121.536 120.500 -0.041 0.000 2.105 526 R HA -0.168 4.171 4.340 -0.001 0.000 0.239 526 R C 2.586 178.910 176.300 0.039 0.000 1.135 526 R CA 1.813 57.935 56.100 0.035 0.000 0.967 526 R CB -0.584 29.759 30.300 0.072 0.000 0.861 526 R HN 0.722 nan 8.270 nan 0.000 0.442 527 S N 0.624 116.308 115.700 -0.027 0.000 2.402 527 S HA -0.054 4.416 4.470 -0.001 0.000 0.229 527 S C 2.010 176.577 174.600 -0.056 0.000 1.021 527 S CA 0.734 58.923 58.200 -0.018 0.000 0.974 527 S CB -0.314 62.865 63.200 -0.035 0.000 0.800 527 S HN 0.212 nan 8.310 nan 0.000 0.484 528 L N 0.695 121.818 121.223 -0.167 0.000 2.093 528 L HA 0.037 4.376 4.340 -0.001 0.000 0.208 528 L C 2.593 179.432 176.870 -0.052 0.000 1.085 528 L CA 1.175 55.923 54.840 -0.153 0.000 0.755 528 L CB -0.540 41.377 42.059 -0.238 0.000 0.904 528 L HN 0.316 nan 8.230 nan 0.000 0.435 529 I N -0.203 120.355 120.570 -0.020 0.000 2.226 529 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 529 I C 2.082 178.286 176.117 0.145 0.000 1.100 529 I CA 1.135 62.445 61.300 0.017 0.000 1.374 529 I CB -0.376 37.635 38.000 0.018 0.000 1.057 529 I HN 0.276 nan 8.210 nan 0.000 0.413 530 D N 0.450 120.983 120.400 0.222 0.000 2.084 530 D HA -0.257 4.382 4.640 -0.001 0.000 0.194 530 D C 2.065 178.517 176.300 0.254 0.000 0.990 530 D CA 1.247 55.452 54.000 0.343 0.000 0.826 530 D CB -0.363 40.591 40.800 0.257 0.000 0.971 530 D HN 0.366 nan 8.370 nan 0.000 0.453 531 Q N -0.057 119.820 119.800 0.128 0.000 2.170 531 Q HA -0.121 4.218 4.340 -0.001 0.000 0.203 531 Q C 1.608 177.653 176.000 0.074 0.000 0.976 531 Q CA 1.447 57.302 55.803 0.087 0.000 0.858 531 Q CB 0.086 28.842 28.738 0.030 0.000 0.907 531 Q HN 0.192 nan 8.270 nan 0.000 0.433 532 T N -0.809 113.767 114.554 0.036 0.000 2.896 532 T HA -0.121 4.228 4.350 -0.001 0.000 0.263 532 T C 0.834 175.514 174.700 -0.033 0.000 1.050 532 T CA 0.897 62.965 62.100 -0.052 0.000 1.140 532 T CB -0.369 68.409 68.868 -0.150 0.000 0.877 532 T HN 0.464 nan 8.240 nan 0.000 0.457 533 W N 2.056 123.352 121.300 -0.007 0.000 2.374 533 W HA -0.026 4.633 4.660 -0.001 0.000 0.288 533 W C 2.326 178.923 176.519 0.131 0.000 1.218 533 W CA 0.687 58.062 57.345 0.050 0.000 1.245 533 W CB 0.022 29.575 29.460 0.154 0.000 1.126 533 W HN 0.200 nan 8.180 nan 0.000 0.545 534 K N -0.490 120.138 120.400 0.379 0.000 2.097 534 K HA -0.160 4.159 4.320 -0.001 0.000 0.205 534 K C 1.907 178.609 176.600 0.170 0.000 1.050 534 K CA 1.617 58.063 56.287 0.266 0.000 0.938 534 K CB -0.417 32.193 32.500 0.184 0.000 0.718 534 K HN 0.225 nan 8.250 nan 0.000 0.442 535 M N 0.054 119.711 119.600 0.095 0.000 2.132 535 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 535 M C 2.420 178.732 176.300 0.020 0.000 1.065 535 M CA 1.340 56.658 55.300 0.031 0.000 1.122 535 M CB -0.359 32.222 32.600 -0.031 0.000 1.365 535 M HN 0.151 nan 8.290 nan 0.000 0.411 536 M N 1.382 120.971 119.600 -0.017 0.000 2.086 536 M HA -0.168 4.311 4.480 -0.001 0.000 0.261 536 M C 1.618 177.966 176.300 0.079 0.000 1.067 536 M CA 1.916 57.169 55.300 -0.079 0.000 1.116 536 M CB -0.484 31.894 32.600 -0.370 0.000 1.348 536 M HN 0.112 nan 8.290 nan 0.000 0.407 537 N N -0.028 118.816 118.700 0.240 0.000 2.104 537 N HA -0.186 4.553 4.740 -0.001 0.000 0.190 537 N C 1.875 177.474 175.510 0.147 0.000 1.024 537 N CA 1.746 54.958 53.050 0.269 0.000 0.853 537 N CB -0.640 38.043 38.487 0.326 0.000 1.008 537 N HN 0.423 nan 8.380 nan 0.000 0.424 538 K N 1.397 121.868 120.400 0.118 0.000 2.032 538 K HA -0.098 4.221 4.320 -0.001 0.000 0.209 538 K C 1.720 178.360 176.600 0.066 0.000 1.048 538 K CA 1.131 57.467 56.287 0.082 0.000 0.927 538 K CB -0.276 32.265 32.500 0.068 0.000 0.712 538 K HN 0.231 nan 8.250 nan 0.000 0.441 539 E N 0.205 120.446 120.200 0.067 0.000 2.110 539 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 539 E C 2.144 178.776 176.600 0.053 0.000 0.988 539 E CA 1.742 58.189 56.400 0.078 0.000 0.804 539 E CB -0.390 29.368 29.700 0.097 0.000 0.745 539 E HN 0.550 nan 8.360 nan 0.000 0.458 540 M N -0.239 119.393 119.600 0.054 0.000 2.149 540 M HA -0.112 4.368 4.480 -0.001 0.000 0.261 540 M C 2.308 178.620 176.300 0.020 0.000 1.064 540 M CA 1.349 56.674 55.300 0.042 0.000 1.102 540 M CB -0.279 32.369 32.600 0.080 0.000 1.369 540 M HN 0.067 nan 8.290 nan 0.000 0.408 541 M N -0.815 118.801 119.600 0.027 0.000 2.394 541 M HA -0.074 4.406 4.480 -0.001 0.000 0.264 541 M C 1.457 177.750 176.300 -0.012 0.000 1.073 541 M CA 1.453 56.756 55.300 0.004 0.000 1.111 541 M CB -0.346 32.266 32.600 0.021 0.000 1.401 541 M HN 0.367 nan 8.290 nan 0.000 0.448 542 T N -4.415 110.136 114.554 -0.006 0.000 3.091 542 T HA 0.198 4.547 4.350 -0.001 0.000 0.277 542 T C 0.521 175.184 174.700 -0.061 0.000 0.996 542 T CA -0.420 61.667 62.100 -0.021 0.000 0.897 542 T CB 0.169 69.039 68.868 0.003 0.000 1.109 542 T HN 0.072 nan 8.240 nan 0.000 0.534 543 S N 0.922 116.577 115.700 -0.075 0.000 2.572 543 S HA 0.293 4.762 4.470 -0.001 0.000 0.279 543 S C 1.093 175.550 174.600 -0.237 0.000 1.341 543 S CA -0.440 57.653 58.200 -0.178 0.000 1.043 543 S CB 0.539 63.706 63.200 -0.055 0.000 0.887 543 S HN 0.404 nan 8.310 nan 0.000 0.516 544 S N 2.936 118.354 115.700 -0.470 0.000 2.540 544 S HA 0.266 4.735 4.470 -0.001 0.000 0.218 544 S C -0.066 174.382 174.600 -0.254 0.000 0.977 544 S CA -0.293 57.697 58.200 -0.350 0.000 0.918 544 S CB -0.147 62.839 63.200 -0.357 0.000 0.806 544 S HN 0.608 nan 8.310 nan 0.000 0.496 545 F N 3.390 123.316 119.950 -0.040 0.000 2.440 545 F HA 0.314 4.840 4.527 -0.002 0.000 0.323 545 F C 1.414 177.217 175.800 0.005 0.000 1.192 545 F CA -1.592 56.416 58.000 0.013 0.000 1.252 545 F CB -0.002 39.097 39.000 0.164 0.000 1.214 545 F HN -0.009 nan 8.300 nan 0.000 0.578 546 S N 1.004 116.828 115.700 0.206 0.000 2.573 546 S HA 0.030 4.499 4.470 -0.001 0.000 0.277 546 S C 1.255 175.884 174.600 0.048 0.000 1.346 546 S CA -0.428 57.792 58.200 0.034 0.000 1.034 546 S CB 0.528 63.706 63.200 -0.038 0.000 0.879 546 S HN 0.796 nan 8.310 nan 0.000 0.528 547 K N 1.148 121.478 120.400 -0.118 0.000 2.063 547 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 547 K C 1.361 177.981 176.600 0.033 0.000 1.048 547 K CA 1.707 57.933 56.287 -0.102 0.000 0.928 547 K CB -0.400 31.963 32.500 -0.229 0.000 0.713 547 K HN 0.797 nan 8.250 nan 0.000 0.442 548 Y N -0.179 120.154 120.300 0.054 0.000 2.181 548 Y HA -0.195 4.354 4.550 -0.002 0.000 0.288 548 Y C 2.132 178.045 175.900 0.023 0.000 1.146 548 Y CA 0.937 59.068 58.100 0.052 0.000 1.164 548 Y CB -0.945 37.554 38.460 0.064 0.000 0.982 548 Y HN 0.140 nan 8.280 nan 0.000 0.515 549 F N -0.228 119.776 119.950 0.090 0.000 2.206 549 F HA -0.107 4.419 4.527 -0.001 0.000 0.298 549 F C 2.113 177.907 175.800 -0.009 0.000 1.090 549 F CA 0.810 58.809 58.000 -0.002 0.000 1.323 549 F CB -0.553 38.420 39.000 -0.044 0.000 1.028 549 F HN -0.192 nan 8.300 nan 0.000 0.492 550 V N 0.721 120.599 119.914 -0.061 0.000 2.343 550 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 550 V C 2.243 178.225 176.094 -0.187 0.000 1.051 550 V CA 2.251 64.465 62.300 -0.144 0.000 1.036 550 V CB -0.708 31.121 31.823 0.010 0.000 0.654 550 V HN 0.347 nan 8.190 nan 0.000 0.451 551 E N 0.372 120.519 120.200 -0.089 0.000 2.038 551 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 551 E C 2.269 178.785 176.600 -0.140 0.000 1.000 551 E CA 2.004 58.363 56.400 -0.069 0.000 0.803 551 E CB -0.409 29.305 29.700 0.023 0.000 0.750 551 E HN 0.641 nan 8.360 nan 0.000 0.448 552 V N -0.936 118.865 119.914 -0.189 0.000 2.515 552 V HA -0.187 3.932 4.120 -0.001 0.000 0.250 552 V C 2.122 178.035 176.094 -0.302 0.000 1.058 552 V CA 1.850 64.022 62.300 -0.212 0.000 1.064 552 V CB -0.303 31.415 31.823 -0.176 0.000 0.675 552 V HN 0.041 nan 8.190 nan 0.000 0.461 553 S N 1.222 116.628 115.700 -0.491 0.000 2.359 553 S HA -0.080 4.389 4.470 -0.001 0.000 0.224 553 S C 2.263 176.669 174.600 -0.324 0.000 1.035 553 S CA 1.856 59.771 58.200 -0.476 0.000 1.018 553 S CB -0.665 62.169 63.200 -0.611 0.000 0.876 553 S HN 0.942 nan 8.310 nan 0.000 0.448 554 A N 2.254 124.921 122.820 -0.256 0.000 1.897 554 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 554 A C 1.873 179.393 177.584 -0.107 0.000 1.181 554 A CA 1.226 53.150 52.037 -0.187 0.000 0.620 554 A CB -0.540 18.441 19.000 -0.031 0.000 0.821 554 A HN 0.420 nan 8.150 nan 0.000 0.443 555 N N -0.200 118.439 118.700 -0.101 0.000 2.331 555 N HA -0.093 4.646 4.740 -0.001 0.000 0.180 555 N C 1.512 176.988 175.510 -0.056 0.000 1.019 555 N CA 1.064 54.070 53.050 -0.073 0.000 0.881 555 N CB -0.378 38.053 38.487 -0.092 0.000 0.972 555 N HN 0.424 nan 8.380 nan 0.000 0.435 556 L N 1.137 122.313 121.223 -0.080 0.000 2.056 556 L HA 0.012 4.351 4.340 -0.001 0.000 0.207 556 L C 2.066 178.950 176.870 0.023 0.000 1.078 556 L CA 1.464 56.295 54.840 -0.015 0.000 0.749 556 L CB -0.959 41.048 42.059 -0.086 0.000 0.901 556 L HN 0.090 nan 8.230 nan 0.000 0.433 557 A N -0.290 122.473 122.820 -0.095 0.000 1.877 557 A HA -0.209 4.110 4.320 -0.001 0.000 0.216 557 A C 2.415 180.004 177.584 0.008 0.000 1.186 557 A CA 1.785 53.741 52.037 -0.136 0.000 0.620 557 A CB -0.540 18.187 19.000 -0.455 0.000 0.822 557 A HN 0.505 nan 8.150 nan 0.000 0.443 558 R N -1.851 118.691 120.500 0.070 0.000 2.081 558 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 558 R C 2.166 178.509 176.300 0.071 0.000 1.131 558 R CA 1.691 57.863 56.100 0.119 0.000 0.960 558 R CB -0.381 29.970 30.300 0.086 0.000 0.856 558 R HN 0.509 nan 8.270 nan 0.000 0.436 559 M N 0.627 120.239 119.600 0.020 0.000 2.213 559 M HA -0.034 4.445 4.480 -0.001 0.000 0.263 559 M C 2.045 178.268 176.300 -0.128 0.000 1.062 559 M CA 1.446 56.698 55.300 -0.080 0.000 1.105 559 M CB -0.245 32.305 32.600 -0.084 0.000 1.385 559 M HN 0.158 nan 8.290 nan 0.000 0.417 560 A N -0.674 122.228 122.820 0.137 0.000 1.933 560 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 560 A C 2.056 179.752 177.584 0.187 0.000 1.175 560 A CA 1.762 53.970 52.037 0.286 0.000 0.628 560 A CB -0.717 18.527 19.000 0.406 0.000 0.814 560 A HN 0.682 nan 8.150 nan 0.000 0.444 561 Q N -1.759 118.118 119.800 0.128 0.000 2.297 561 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 561 Q C 1.919 177.950 176.000 0.053 0.000 0.962 561 Q CA 0.927 56.795 55.803 0.107 0.000 0.879 561 Q CB -0.135 28.663 28.738 0.100 0.000 0.947 561 Q HN 0.928 nan 8.270 nan 0.000 0.462 562 W N 0.934 122.130 121.300 -0.174 0.000 2.444 562 W HA -0.121 4.538 4.660 -0.002 0.000 0.308 562 W C 1.485 177.788 176.519 -0.360 0.000 1.183 562 W CA 0.716 57.915 57.345 -0.243 0.000 1.340 562 W CB 0.018 29.315 29.460 -0.272 0.000 1.138 562 W HN 0.046 nan 8.180 nan 0.000 0.510 563 I N 0.714 121.022 120.570 -0.437 0.000 2.208 563 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 563 I C 0.914 176.536 176.117 -0.826 0.000 1.097 563 I CA 1.672 62.465 61.300 -0.844 0.000 1.363 563 I CB -1.517 35.670 38.000 -1.355 0.000 1.051 563 I HN -0.015 nan 8.210 nan 0.000 0.413 564 Y N 2.026 122.187 120.300 -0.232 0.000 2.833 564 Y HA 0.228 4.777 4.550 -0.002 0.000 0.339 564 Y C 1.183 176.983 175.900 -0.167 0.000 1.032 564 Y CA -0.949 57.060 58.100 -0.151 0.000 1.450 564 Y CB -0.773 37.663 38.460 -0.040 0.000 1.296 564 Y HN 0.322 nan 8.280 nan 0.000 0.535 565 Q N -1.387 118.278 119.800 -0.225 0.000 2.454 565 Q HA 0.085 4.424 4.340 -0.001 0.000 0.247 565 Q C -0.304 175.567 176.000 -0.215 0.000 1.028 565 Q CA -0.156 55.445 55.803 -0.337 0.000 0.910 565 Q CB 0.131 28.445 28.738 -0.708 0.000 1.276 565 Q HN 0.702 nan 8.270 nan 0.000 0.489 566 H N -0.287 118.752 119.070 -0.052 0.000 2.861 566 H HA -0.180 4.375 4.556 -0.001 0.000 0.289 566 H C -0.789 174.537 175.328 -0.002 0.000 1.176 566 H CA 0.617 56.646 56.048 -0.031 0.000 1.146 566 H CB -1.466 28.259 29.762 -0.063 0.000 1.330 566 H HN 0.936 nan 8.280 nan 0.000 0.379 567 E N -0.770 119.488 120.200 0.097 0.000 2.328 567 E HA -0.216 4.133 4.350 -0.001 0.000 0.233 567 E C -0.495 176.156 176.600 0.084 0.000 1.219 567 E CA 0.741 57.191 56.400 0.084 0.000 0.717 567 E CB -0.659 29.085 29.700 0.073 0.000 1.210 567 E HN 0.515 nan 8.360 nan 0.000 0.381 568 S N -0.105 115.654 115.700 0.098 0.000 2.715 568 S HA 0.342 4.811 4.470 -0.001 0.000 0.307 568 S C -0.505 174.183 174.600 0.148 0.000 1.119 568 S CA -0.960 57.295 58.200 0.091 0.000 0.937 568 S CB 1.770 65.009 63.200 0.066 0.000 1.150 568 S HN 0.226 nan 8.310 nan 0.000 0.521 569 D N 0.798 121.278 120.400 0.134 0.000 2.428 569 D HA 0.360 4.999 4.640 -0.001 0.000 0.221 569 D C 1.295 177.624 176.300 0.048 0.000 1.123 569 D CA -0.302 53.824 54.000 0.210 0.000 0.869 569 D CB 0.647 41.557 40.800 0.185 0.000 1.032 569 D HN 0.615 nan 8.370 nan 0.000 0.506 570 G N 2.757 111.468 108.800 -0.149 0.000 2.503 570 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.221 570 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.221 570 G C 0.789 175.420 174.900 -0.448 0.000 1.131 570 G CA 0.545 45.353 45.100 -0.487 0.000 0.756 570 G HN 0.497 nan 8.290 nan 0.000 0.572 571 F N 1.774 121.733 119.950 0.015 0.000 2.963 571 F HA 0.482 5.008 4.527 -0.001 0.000 0.321 571 F C 1.314 177.149 175.800 0.058 0.000 1.234 571 F CA -1.270 56.749 58.000 0.032 0.000 1.296 571 F CB 0.295 39.331 39.000 0.059 0.000 0.981 571 F HN 0.136 nan 8.300 nan 0.000 0.507 575 H N 1.704 120.807 119.070 0.054 0.000 2.672 575 H HA 0.705 5.260 4.556 -0.001 0.000 0.262 575 H C 0.960 176.309 175.328 0.034 0.000 1.577 575 H CA 0.707 56.784 56.048 0.047 0.000 1.183 575 H CB -0.739 29.046 29.762 0.039 0.000 1.546 575 H HN 1.078 nan 8.280 nan 0.000 0.502 576 S N 0.158 115.881 115.700 0.039 0.000 2.576 576 S HA 0.139 4.608 4.470 -0.001 0.000 0.272 576 S C 1.611 176.201 174.600 -0.016 0.000 1.352 576 S CA 0.113 58.316 58.200 0.005 0.000 1.021 576 S CB 0.627 63.820 63.200 -0.010 0.000 0.887 576 S HN 1.073 nan 8.310 nan 0.000 0.542 577 L N 1.638 122.838 121.223 -0.038 0.000 2.478 577 L HA 0.169 4.508 4.340 -0.001 0.000 0.223 577 L C 1.556 178.379 176.870 -0.078 0.000 1.140 577 L CA 0.778 55.596 54.840 -0.037 0.000 0.842 577 L CB -0.339 41.703 42.059 -0.028 0.000 0.953 577 L HN 0.539 nan 8.230 nan 0.000 0.452 578 V N 0.327 120.149 119.914 -0.153 0.000 2.407 578 V HA -0.135 3.985 4.120 -0.001 0.000 0.245 578 V C 2.395 178.398 176.094 -0.152 0.000 1.041 578 V CA 1.562 63.730 62.300 -0.220 0.000 1.040 578 V CB -0.858 30.696 31.823 -0.447 0.000 0.671 578 V HN 0.541 nan 8.190 nan 0.000 0.455 579 N N 0.541 119.209 118.700 -0.054 0.000 2.094 579 N HA -0.239 4.500 4.740 -0.001 0.000 0.191 579 N C 1.937 177.442 175.510 -0.009 0.000 1.023 579 N CA 1.726 54.795 53.050 0.032 0.000 0.857 579 N CB -0.188 38.360 38.487 0.102 0.000 1.013 579 N HN 0.496 nan 8.380 nan 0.000 0.426 580 K N 0.832 121.241 120.400 0.014 0.000 2.063 580 K HA -0.076 4.243 4.320 -0.001 0.000 0.208 580 K C 2.137 178.768 176.600 0.052 0.000 1.048 580 K CA 1.148 57.466 56.287 0.053 0.000 0.928 580 K CB 0.004 32.540 32.500 0.060 0.000 0.713 580 K HN 0.113 nan 8.250 nan 0.000 0.442 581 M N 0.771 120.394 119.600 0.038 0.000 2.159 581 M HA -0.147 4.332 4.480 -0.001 0.000 0.263 581 M C 2.290 178.600 176.300 0.017 0.000 1.063 581 M CA 1.219 56.589 55.300 0.116 0.000 1.110 581 M CB -0.308 32.427 32.600 0.225 0.000 1.374 581 M HN 0.243 nan 8.290 nan 0.000 0.411 582 L N 0.522 121.591 121.223 -0.256 0.000 1.989 582 L HA -0.238 4.101 4.340 -0.001 0.000 0.211 582 L C 2.704 179.375 176.870 -0.333 0.000 1.071 582 L CA 1.714 56.208 54.840 -0.577 0.000 0.749 582 L CB -0.239 41.415 42.059 -0.676 0.000 0.890 582 L HN 0.207 nan 8.230 nan 0.000 0.431 583 R N -0.336 120.031 120.500 -0.222 0.000 2.096 583 R HA -0.162 4.177 4.340 -0.001 0.000 0.235 583 R C 1.865 177.960 176.300 -0.342 0.000 1.127 583 R CA 1.511 57.441 56.100 -0.282 0.000 0.968 583 R CB -0.469 29.782 30.300 -0.081 0.000 0.861 583 R HN 0.472 nan 8.270 nan 0.000 0.440 584 D N 0.605 120.982 120.400 -0.038 0.000 2.219 584 D HA -0.118 4.521 4.640 -0.001 0.000 0.205 584 D C 1.741 178.205 176.300 0.272 0.000 0.970 584 D CA 0.796 54.909 54.000 0.188 0.000 0.851 584 D CB 0.092 41.047 40.800 0.258 0.000 0.943 584 D HN 0.080 nan 8.370 nan 0.000 0.488 585 L N -0.176 121.165 121.223 0.196 0.000 2.127 585 L HA 0.069 4.408 4.340 -0.001 0.000 0.203 585 L C 1.920 178.842 176.870 0.087 0.000 1.080 585 L CA 1.176 56.182 54.840 0.277 0.000 0.768 585 L CB -0.071 42.184 42.059 0.326 0.000 0.924 585 L HN -0.053 nan 8.230 nan 0.000 0.444 586 L N -2.294 118.824 121.223 -0.176 0.000 2.298 586 L HA 0.076 4.415 4.340 -0.001 0.000 0.209 586 L C 1.462 178.131 176.870 -0.335 0.000 1.084 586 L CA 0.379 54.999 54.840 -0.367 0.000 0.816 586 L CB -0.136 41.419 42.059 -0.840 0.000 0.967 586 L HN 0.177 nan 8.230 nan 0.000 0.460 587 F N -2.320 117.618 119.950 -0.020 0.000 2.711 587 F HA 0.188 4.714 4.527 -0.002 0.000 0.296 587 F C 0.849 176.706 175.800 0.094 0.000 1.096 587 F CA -0.933 57.051 58.000 -0.027 0.000 1.280 587 F CB -0.269 38.655 39.000 -0.127 0.000 1.060 587 F HN -0.069 nan 8.300 nan 0.000 0.608 588 H N 1.046 120.292 119.070 0.293 0.000 2.594 588 H HA 0.370 4.925 4.556 -0.001 0.000 0.304 588 H C 0.371 175.856 175.328 0.262 0.000 1.068 588 H CA -0.822 55.366 56.048 0.233 0.000 1.308 588 H CB 1.038 30.911 29.762 0.185 0.000 1.409 588 H HN -0.086 nan 8.280 nan 0.000 0.460 589 R N 2.620 123.327 120.500 0.344 0.000 2.679 589 R HA -0.026 4.313 4.340 -0.001 0.000 0.268 589 R C -0.873 175.615 176.300 0.313 0.000 1.044 589 R CA -0.295 56.000 56.100 0.325 0.000 1.105 589 R CB 0.390 30.824 30.300 0.224 0.000 0.989 589 R HN 0.592 nan 8.270 nan 0.000 0.447 590 Y N 3.659 124.127 120.300 0.279 0.000 2.436 590 Y HA 0.121 4.671 4.550 -0.002 0.000 0.343 590 Y C -0.386 175.562 175.900 0.079 0.000 1.008 590 Y CA 0.156 58.319 58.100 0.105 0.000 1.241 590 Y CB 0.502 38.924 38.460 -0.063 0.000 1.153 590 Y HN 0.620 nan 8.280 nan 0.000 0.521 591 E N 0.000 120.091 120.200 -0.181 0.000 2.725 591 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 591 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 591 E CB 0.000 29.665 29.700 -0.058 0.000 0.812 591 E HN 0.000 nan 8.360 nan 0.000 0.440