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 1y2a_1_C DATA FIRST_RESID 75 DATA SEQUENCE NWSVEDIVKG INSNNLESQL QATQAARKLL SREKQPPIDN IIRAGLIPKF DATA SEQUENCE VSFLGKTDCS PIQFESAWAL TNIASGTSEQ TKAVVDGGAI PAFISLLASP DATA SEQUENCE HAHISEQAVW ALGNIAGDGS AFRDLVIKHG AIDPLLALLA VPDLSTLACG DATA SEQUENCE YLRNLTWTLS NLCRNKNPAP PLDAVEQILP TLVRLLHHND PEVLADSCWA DATA SEQUENCE ISYLTDGPNE RIEMVVKKGV VPQLVKLLGA TELPIVTPAL RAIGNIVTGT DATA SEQUENCE DEQTQKVIDA GALAVFPSLL TNPKTNIQKE ATWTMSNITA GRQDQIQQVV DATA SEQUENCE NHGLVPFLVG VLSKADFKTQ KEAAWAITNY TSGGTVEQIV YLVHCGIIEP DATA SEQUENCE LMNLLSAKDT KIIQVILDAI SNIFQAAEKL GETEKLSIMI EECGGLDKIE DATA SEQUENCE ALQRHENESV YKASLNLIEK YFS 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 75 N HA 0.000 nan 4.740 nan 0.000 0.220 75 N C 0.000 175.675 175.510 0.276 0.000 1.280 75 N CA 0.000 53.152 53.050 0.170 0.000 0.885 75 N CB 0.000 38.530 38.487 0.072 0.000 1.341 76 W N 2.158 123.443 121.300 -0.024 0.000 2.042 76 W HA 0.321 4.981 4.660 0.000 0.000 0.358 76 W C 1.417 177.928 176.519 -0.012 0.000 1.325 76 W CA -0.278 57.058 57.345 -0.015 0.000 1.311 76 W CB 0.070 29.523 29.460 -0.012 0.000 1.210 76 W HN 0.497 nan 8.180 nan 0.000 0.620 77 S N -0.670 115.173 115.700 0.239 0.000 2.646 77 S HA 0.352 4.822 4.470 0.000 0.000 0.276 77 S C 0.502 175.193 174.600 0.151 0.000 1.222 77 S CA -0.816 57.464 58.200 0.133 0.000 1.014 77 S CB 1.456 64.697 63.200 0.069 0.000 0.991 77 S HN 0.264 nan 8.310 nan 0.000 0.533 78 V N 1.468 121.440 119.914 0.097 0.000 2.392 78 V HA -0.181 3.939 4.120 0.000 0.000 0.249 78 V C 2.756 178.902 176.094 0.086 0.000 1.059 78 V CA 2.362 64.713 62.300 0.084 0.000 1.051 78 V CB -1.228 30.625 31.823 0.049 0.000 0.658 78 V HN 1.073 nan 8.190 nan 0.000 0.455 79 E N 0.178 120.419 120.200 0.068 0.000 2.058 79 E HA -0.294 4.056 4.350 0.000 0.000 0.194 79 E C 1.845 178.491 176.600 0.077 0.000 0.997 79 E CA 1.786 58.217 56.400 0.052 0.000 0.801 79 E CB -0.131 29.586 29.700 0.028 0.000 0.746 79 E HN 0.589 nan 8.360 nan 0.000 0.450 80 D N 0.380 120.842 120.400 0.105 0.000 2.144 80 D HA -0.124 4.516 4.640 0.000 0.000 0.199 80 D C 2.070 178.557 176.300 0.311 0.000 0.984 80 D CA 0.828 54.908 54.000 0.132 0.000 0.834 80 D CB -0.147 40.673 40.800 0.033 0.000 0.955 80 D HN 0.338 nan 8.370 nan 0.000 0.465 81 I N 0.427 121.202 120.570 0.342 0.000 2.226 81 I HA -0.227 3.943 4.170 0.000 0.000 0.245 81 I C 2.382 178.600 176.117 0.169 0.000 1.100 81 I CA 0.530 61.999 61.300 0.282 0.000 1.374 81 I CB -0.110 37.983 38.000 0.155 0.000 1.057 81 I HN -0.114 nan 8.210 nan 0.000 0.413 82 V N 0.842 120.820 119.914 0.107 0.000 2.287 82 V HA -0.292 3.828 4.120 0.000 0.000 0.248 82 V C 2.557 178.692 176.094 0.068 0.000 1.053 82 V CA 1.682 64.013 62.300 0.051 0.000 1.027 82 V CB -0.739 31.098 31.823 0.024 0.000 0.646 82 V HN 0.353 nan 8.190 nan 0.000 0.447 83 K N 0.574 121.027 120.400 0.087 0.000 2.009 83 K HA -0.148 4.172 4.320 0.000 0.000 0.210 83 K C 2.294 178.959 176.600 0.108 0.000 1.049 83 K CA 1.783 58.117 56.287 0.077 0.000 0.929 83 K CB -1.204 31.332 32.500 0.060 0.000 0.714 83 K HN 0.546 nan 8.250 nan 0.000 0.440 84 G N 1.411 110.320 108.800 0.182 0.000 2.440 84 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 84 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 84 G C 1.707 176.696 174.900 0.148 0.000 1.154 84 G CA 0.691 45.912 45.100 0.203 0.000 0.767 84 G HN 0.226 nan 8.290 nan 0.000 0.552 85 I N 0.576 121.234 120.570 0.147 0.000 2.394 85 I HA -0.132 4.038 4.170 0.000 0.000 0.251 85 I C 2.288 178.485 176.117 0.133 0.000 1.136 85 I CA 0.889 62.293 61.300 0.173 0.000 1.425 85 I CB -0.216 37.866 38.000 0.137 0.000 1.079 85 I HN 0.217 nan 8.210 nan 0.000 0.425 86 N N 0.226 118.973 118.700 0.080 0.000 2.494 86 N HA -0.049 4.691 4.740 0.000 0.000 0.182 86 N C 0.715 176.259 175.510 0.056 0.000 1.076 86 N CA 0.057 53.138 53.050 0.051 0.000 0.908 86 N CB 0.185 38.688 38.487 0.028 0.000 0.967 86 N HN 0.288 nan 8.380 nan 0.000 0.449 87 S N 0.332 116.074 115.700 0.069 0.000 2.593 87 S HA 0.126 4.596 4.470 0.000 0.000 0.269 87 S C 0.314 174.950 174.600 0.061 0.000 1.334 87 S CA -0.469 57.765 58.200 0.056 0.000 1.015 87 S CB 0.880 64.115 63.200 0.060 0.000 0.912 87 S HN 0.091 nan 8.310 nan 0.000 0.541 88 N N 1.376 120.104 118.700 0.047 0.000 2.378 88 N HA 0.190 4.930 4.740 0.000 0.000 0.243 88 N C -0.703 174.832 175.510 0.042 0.000 1.137 88 N CA -0.129 52.951 53.050 0.049 0.000 0.862 88 N CB -0.010 38.499 38.487 0.037 0.000 1.116 88 N HN 0.548 nan 8.380 nan 0.000 0.499 89 N N 1.463 120.187 118.700 0.039 0.000 2.501 89 N HA 0.066 4.806 4.740 0.000 0.000 0.245 89 N C 0.772 176.286 175.510 0.006 0.000 0.974 89 N CA -0.303 52.761 53.050 0.024 0.000 0.941 89 N CB 0.967 39.470 38.487 0.027 0.000 1.122 89 N HN 0.083 nan 8.380 nan 0.000 0.507 90 L N 4.278 125.496 121.223 -0.009 0.000 2.021 90 L HA -0.179 4.161 4.340 0.000 0.000 0.215 90 L C 2.081 178.902 176.870 -0.082 0.000 1.074 90 L CA 2.043 56.850 54.840 -0.055 0.000 0.760 90 L CB -0.452 41.583 42.059 -0.040 0.000 0.889 90 L HN 0.639 nan 8.230 nan 0.000 0.433 91 E N -0.913 119.263 120.200 -0.040 0.000 2.072 91 E HA -0.149 4.201 4.350 0.000 0.000 0.191 91 E C 2.169 178.759 176.600 -0.016 0.000 0.985 91 E CA 1.626 58.007 56.400 -0.032 0.000 0.801 91 E CB -0.286 29.409 29.700 -0.008 0.000 0.750 91 E HN 0.540 nan 8.360 nan 0.000 0.452 92 S N 0.308 116.014 115.700 0.011 0.000 2.382 92 S HA -0.178 4.292 4.470 0.000 0.000 0.228 92 S C 1.886 176.508 174.600 0.037 0.000 1.027 92 S CA 1.258 59.492 58.200 0.057 0.000 0.991 92 S CB -0.264 62.978 63.200 0.071 0.000 0.823 92 S HN 0.362 nan 8.310 nan 0.000 0.469 93 Q N 0.209 119.994 119.800 -0.025 0.000 2.124 93 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 93 Q C 2.252 178.130 176.000 -0.203 0.000 0.977 93 Q CA 1.053 56.800 55.803 -0.092 0.000 0.850 93 Q CB -0.326 28.294 28.738 -0.197 0.000 0.901 93 Q HN 0.370 nan 8.270 nan 0.000 0.429 94 L N 0.995 122.091 121.223 -0.211 0.000 2.017 94 L HA -0.228 4.112 4.340 0.000 0.000 0.208 94 L C 2.054 178.832 176.870 -0.153 0.000 1.073 94 L CA 1.884 56.605 54.840 -0.199 0.000 0.745 94 L CB -0.452 41.523 42.059 -0.139 0.000 0.894 94 L HN 0.163 nan 8.230 nan 0.000 0.432 95 Q N -0.825 118.915 119.800 -0.100 0.000 2.170 95 Q HA -0.133 4.207 4.340 0.000 0.000 0.203 95 Q C 2.177 177.948 176.000 -0.383 0.000 0.976 95 Q CA 1.491 57.218 55.803 -0.126 0.000 0.858 95 Q CB -0.293 28.487 28.738 0.069 0.000 0.907 95 Q HN 0.708 nan 8.270 nan 0.000 0.433 96 A N 0.099 122.760 122.820 -0.265 0.000 1.968 96 A HA -0.100 4.220 4.320 0.000 0.000 0.217 96 A C 2.136 179.563 177.584 -0.262 0.000 1.169 96 A CA 1.420 53.233 52.037 -0.373 0.000 0.638 96 A CB -0.436 18.580 19.000 0.027 0.000 0.812 96 A HN 0.255 nan 8.150 nan 0.000 0.446 97 T N -0.522 113.959 114.554 -0.122 0.000 2.812 97 T HA -0.149 4.201 4.350 0.000 0.000 0.264 97 T C 2.070 176.629 174.700 -0.234 0.000 1.042 97 T CA 1.475 63.560 62.100 -0.025 0.000 1.140 97 T CB -0.204 68.673 68.868 0.015 0.000 0.870 97 T HN 0.638 nan 8.240 nan 0.000 0.445 98 Q N 0.689 120.316 119.800 -0.289 0.000 2.084 98 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 98 Q C 2.459 178.200 176.000 -0.432 0.000 0.978 98 Q CA 1.446 57.048 55.803 -0.336 0.000 0.844 98 Q CB -0.280 28.304 28.738 -0.257 0.000 0.898 98 Q HN 0.535 nan 8.270 nan 0.000 0.426 99 A N 0.557 123.032 122.820 -0.574 0.000 1.972 99 A HA -0.097 4.224 4.320 0.000 0.000 0.219 99 A C 2.212 179.535 177.584 -0.434 0.000 1.169 99 A CA 1.567 53.175 52.037 -0.715 0.000 0.635 99 A CB -0.765 17.304 19.000 -1.551 0.000 0.810 99 A HN 0.552 nan 8.150 nan 0.000 0.446 100 A N -0.172 122.457 122.820 -0.318 0.000 1.897 100 A HA -0.121 4.199 4.320 0.000 0.000 0.215 100 A C 2.263 179.686 177.584 -0.268 0.000 1.181 100 A CA 1.518 53.462 52.037 -0.155 0.000 0.620 100 A CB -0.511 18.544 19.000 0.092 0.000 0.821 100 A HN 0.546 nan 8.150 nan 0.000 0.443 101 R N 0.266 120.515 120.500 -0.418 0.000 2.083 101 R HA -0.167 4.173 4.340 0.000 0.000 0.237 101 R C 1.896 177.835 176.300 -0.602 0.000 1.137 101 R CA 1.971 57.704 56.100 -0.612 0.000 0.951 101 R CB -0.331 29.483 30.300 -0.810 0.000 0.851 101 R HN 0.509 nan 8.270 nan 0.000 0.434 102 K N 0.433 120.537 120.400 -0.493 0.000 2.147 102 K HA -0.097 4.223 4.320 0.000 0.000 0.205 102 K C 2.210 178.660 176.600 -0.249 0.000 1.049 102 K CA 1.142 57.202 56.287 -0.377 0.000 0.936 102 K CB -0.103 32.220 32.500 -0.295 0.000 0.722 102 K HN 0.240 nan 8.250 nan 0.000 0.446 103 L N 0.747 121.845 121.223 -0.209 0.000 2.056 103 L HA -0.137 4.203 4.340 0.000 0.000 0.207 103 L C 1.946 178.747 176.870 -0.114 0.000 1.078 103 L CA 1.070 55.838 54.840 -0.120 0.000 0.749 103 L CB -0.127 41.886 42.059 -0.076 0.000 0.901 103 L HN 0.196 nan 8.230 nan 0.000 0.433 104 L N -1.308 119.823 121.223 -0.154 0.000 2.622 104 L HA -0.070 4.270 4.340 0.000 0.000 0.233 104 L C 1.985 178.775 176.870 -0.132 0.000 1.156 104 L CA 0.140 54.904 54.840 -0.126 0.000 0.866 104 L CB -0.168 41.806 42.059 -0.142 0.000 0.980 104 L HN 0.119 nan 8.230 nan 0.000 0.448 105 S N -1.375 114.223 115.700 -0.170 0.000 2.503 105 S HA 0.148 4.618 4.470 0.000 0.000 0.215 105 S C 0.929 175.495 174.600 -0.056 0.000 1.003 105 S CA -0.333 57.794 58.200 -0.122 0.000 0.910 105 S CB 0.167 63.243 63.200 -0.206 0.000 0.790 105 S HN 0.318 nan 8.310 nan 0.000 0.514 106 R N 1.687 122.152 120.500 -0.058 0.000 2.817 106 R HA 0.032 4.372 4.340 0.000 0.000 0.264 106 R C 1.000 177.294 176.300 -0.009 0.000 1.009 106 R CA 0.330 56.413 56.100 -0.029 0.000 1.133 106 R CB 0.283 30.568 30.300 -0.024 0.000 1.013 106 R HN 0.277 nan 8.270 nan 0.000 0.453 107 E N 1.475 121.675 120.200 0.000 0.000 2.099 107 E HA -0.031 4.319 4.350 0.000 0.000 0.191 107 E C -0.133 176.471 176.600 0.007 0.000 0.962 107 E CA 0.650 57.055 56.400 0.008 0.000 0.826 107 E CB 0.229 29.936 29.700 0.011 0.000 0.788 107 E HN 0.339 nan 8.360 nan 0.000 0.461 108 K N 2.842 123.245 120.400 0.005 0.000 2.165 108 K HA 0.044 4.364 4.320 0.000 0.000 0.270 108 K C -0.443 176.159 176.600 0.004 0.000 1.091 108 K CA 0.190 56.480 56.287 0.005 0.000 1.019 108 K CB -0.265 32.238 32.500 0.005 0.000 1.101 108 K HN 0.178 nan 8.250 nan 0.000 0.397 109 Q N 1.611 121.415 119.800 0.007 0.000 2.452 109 Q HA -0.184 4.156 4.340 0.000 0.000 0.247 109 Q C -2.105 173.897 176.000 0.004 0.000 1.278 109 Q CA -0.077 55.731 55.803 0.008 0.000 0.829 109 Q CB -0.922 27.821 28.738 0.009 0.000 0.925 109 Q HN 0.447 nan 8.270 nan 0.000 0.303 110 P HA 0.020 nan 4.420 nan 0.000 0.268 110 P C -2.264 175.037 177.300 0.003 0.000 1.205 110 P CA -1.163 61.933 63.100 -0.006 0.000 0.771 110 P CB 0.358 32.050 31.700 -0.013 0.000 0.858 111 P HA 0.149 nan 4.420 nan 0.000 0.232 111 P C 1.185 178.496 177.300 0.018 0.000 1.738 111 P CA -0.051 63.056 63.100 0.012 0.000 0.948 111 P CB -0.448 31.261 31.700 0.014 0.000 1.943 112 I N 0.184 120.765 120.570 0.019 0.000 2.179 112 I HA -0.223 3.947 4.170 0.000 0.000 0.242 112 I C 1.981 178.116 176.117 0.031 0.000 1.088 112 I CA 1.449 62.766 61.300 0.028 0.000 1.357 112 I CB -0.433 37.584 38.000 0.029 0.000 1.051 112 I HN 0.085 nan 8.210 nan 0.000 0.409 113 D N 0.833 121.247 120.400 0.025 0.000 2.149 113 D HA -0.158 4.482 4.640 0.000 0.000 0.198 113 D C 1.881 178.191 176.300 0.017 0.000 0.990 113 D CA 1.111 55.124 54.000 0.021 0.000 0.839 113 D CB -0.355 40.456 40.800 0.018 0.000 0.948 113 D HN 0.360 nan 8.370 nan 0.000 0.460 114 N N 0.709 119.420 118.700 0.018 0.000 2.142 114 N HA -0.084 4.656 4.740 0.000 0.000 0.186 114 N C 1.975 177.493 175.510 0.013 0.000 1.023 114 N CA 0.358 53.417 53.050 0.014 0.000 0.852 114 N CB -0.149 38.348 38.487 0.017 0.000 0.998 114 N HN 0.201 nan 8.380 nan 0.000 0.424 115 I N 1.660 122.245 120.570 0.025 0.000 2.208 115 I HA -0.198 3.972 4.170 0.000 0.000 0.245 115 I C 2.233 178.352 176.117 0.004 0.000 1.097 115 I CA 0.874 62.192 61.300 0.031 0.000 1.363 115 I CB -0.880 37.173 38.000 0.088 0.000 1.051 115 I HN 0.082 nan 8.210 nan 0.000 0.413 116 I N 0.393 120.972 120.570 0.016 0.000 2.163 116 I HA -0.272 3.898 4.170 0.000 0.000 0.240 116 I C 2.748 178.855 176.117 -0.016 0.000 1.081 116 I CA 1.203 62.505 61.300 0.003 0.000 1.353 116 I CB -0.449 37.563 38.000 0.019 0.000 1.054 116 I HN 0.158 nan 8.210 nan 0.000 0.407 117 R N 0.786 121.281 120.500 -0.008 0.000 2.159 117 R HA -0.132 4.208 4.340 0.000 0.000 0.237 117 R C 2.215 178.500 176.300 -0.025 0.000 1.131 117 R CA 1.327 57.419 56.100 -0.013 0.000 0.982 117 R CB -0.385 29.913 30.300 -0.004 0.000 0.868 117 R HN 0.374 nan 8.270 nan 0.000 0.453 118 A N 0.237 123.038 122.820 -0.031 0.000 2.216 118 A HA 0.076 4.396 4.320 0.000 0.000 0.214 118 A C 1.426 178.965 177.584 -0.076 0.000 1.160 118 A CA 0.970 52.980 52.037 -0.044 0.000 0.725 118 A CB -0.308 18.668 19.000 -0.040 0.000 0.784 118 A HN 0.470 nan 8.150 nan 0.000 0.472 119 G N -1.225 107.524 108.800 -0.086 0.000 2.176 119 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 119 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 119 G C 0.628 175.410 174.900 -0.197 0.000 1.024 119 G CA 0.493 45.525 45.100 -0.114 0.000 0.755 119 G HN 0.455 nan 8.290 nan 0.000 0.507 120 L N -0.500 120.562 121.223 -0.269 0.000 2.240 120 L HA 0.164 4.504 4.340 0.000 0.000 0.211 120 L C 2.966 179.425 176.870 -0.687 0.000 1.106 120 L CA 0.732 55.239 54.840 -0.556 0.000 0.793 120 L CB -0.361 41.288 42.059 -0.683 0.000 0.927 120 L HN 0.400 nan 8.230 nan 0.000 0.446 121 I N 0.573 120.952 120.570 -0.318 0.000 2.113 121 I HA -0.276 3.894 4.170 0.000 0.000 0.242 121 I C -0.285 175.736 176.117 -0.159 0.000 1.064 121 I CA 1.873 63.104 61.300 -0.115 0.000 1.320 121 I CB -1.457 36.533 38.000 -0.017 0.000 1.028 121 I HN 0.209 nan 8.210 nan 0.000 0.406 122 P HA -0.170 nan 4.420 nan 0.000 0.216 122 P C 1.356 178.482 177.300 -0.290 0.000 1.150 122 P CA 1.312 64.299 63.100 -0.188 0.000 0.837 122 P CB -0.021 31.586 31.700 -0.156 0.000 0.786 123 K N -1.371 118.774 120.400 -0.424 0.000 2.057 123 K HA -0.053 4.267 4.320 0.000 0.000 0.206 123 K C 1.965 178.043 176.600 -0.869 0.000 1.050 123 K CA 1.290 57.172 56.287 -0.674 0.000 0.935 123 K CB -1.223 30.891 32.500 -0.644 0.000 0.715 123 K HN 0.174 nan 8.250 nan 0.000 0.439 124 F N 1.314 120.984 119.950 -0.467 0.000 2.102 124 F HA -0.142 4.385 4.527 0.000 0.000 0.298 124 F C 2.499 178.145 175.800 -0.257 0.000 1.105 124 F CA 0.422 58.262 58.000 -0.267 0.000 1.239 124 F CB -1.326 37.618 39.000 -0.093 0.000 0.991 124 F HN -0.276 nan 8.300 nan 0.000 0.474 125 V N -1.026 118.849 119.914 -0.066 0.000 2.469 125 V HA -0.281 3.839 4.120 0.000 0.000 0.251 125 V C 2.571 178.570 176.094 -0.157 0.000 1.064 125 V CA 1.955 64.166 62.300 -0.149 0.000 1.066 125 V CB -1.004 30.733 31.823 -0.144 0.000 0.667 125 V HN 0.412 nan 8.190 nan 0.000 0.461 126 S N -0.342 115.222 115.700 -0.228 0.000 2.383 126 S HA -0.129 4.341 4.470 0.000 0.000 0.227 126 S C 1.762 176.345 174.600 -0.029 0.000 1.026 126 S CA 1.340 59.426 58.200 -0.190 0.000 0.981 126 S CB -0.328 62.688 63.200 -0.306 0.000 0.818 126 S HN 0.519 nan 8.310 nan 0.000 0.472 127 F N 1.798 121.758 119.950 0.016 0.000 2.365 127 F HA 0.199 4.726 4.527 0.000 0.000 0.300 127 F C 1.833 177.627 175.800 -0.009 0.000 1.090 127 F CA -0.079 57.934 58.000 0.021 0.000 1.408 127 F CB -0.865 38.172 39.000 0.063 0.000 1.060 127 F HN 0.202 nan 8.300 nan 0.000 0.534 128 L N -0.683 120.602 121.223 0.102 0.000 2.191 128 L HA -0.101 4.239 4.340 0.000 0.000 0.212 128 L C 2.376 179.259 176.870 0.021 0.000 1.103 128 L CA 1.267 56.108 54.840 0.001 0.000 0.769 128 L CB -1.017 40.931 42.059 -0.185 0.000 0.908 128 L HN 0.233 nan 8.230 nan 0.000 0.438 129 G N -0.531 108.290 108.800 0.035 0.000 3.141 129 G HA2 -0.022 3.938 3.960 0.000 0.000 0.218 129 G HA3 -0.022 3.938 3.960 0.000 0.000 0.218 129 G C 0.640 175.577 174.900 0.062 0.000 1.170 129 G CA -0.301 44.821 45.100 0.037 0.000 0.769 129 G HN 0.190 nan 8.290 nan 0.000 0.546 130 K N 1.581 122.034 120.400 0.089 0.000 2.142 130 K HA 0.172 4.492 4.320 0.000 0.000 0.250 130 K C 1.058 177.695 176.600 0.061 0.000 1.148 130 K CA -0.202 56.132 56.287 0.080 0.000 1.040 130 K CB 0.494 33.050 32.500 0.093 0.000 1.569 130 K HN 0.022 nan 8.250 nan 0.000 0.361 131 T N 0.734 115.324 114.554 0.059 0.000 2.803 131 T HA -0.168 4.182 4.350 0.000 0.000 0.269 131 T C 1.309 176.047 174.700 0.064 0.000 1.052 131 T CA 1.651 63.790 62.100 0.064 0.000 1.136 131 T CB -0.133 68.770 68.868 0.058 0.000 0.864 131 T HN 0.602 nan 8.240 nan 0.000 0.467 132 D N -0.108 120.321 120.400 0.049 0.000 2.363 132 D HA 0.002 4.642 4.640 0.000 0.000 0.220 132 D C 0.740 177.057 176.300 0.028 0.000 0.994 132 D CA 0.044 54.069 54.000 0.042 0.000 0.890 132 D CB -0.491 40.328 40.800 0.033 0.000 0.906 132 D HN 0.389 nan 8.370 nan 0.000 0.530 133 C N 2.277 121.589 119.300 0.020 0.000 3.335 133 C HA 0.349 4.809 4.460 0.000 0.000 0.217 133 C C 1.976 176.959 174.990 -0.011 0.000 1.330 133 C CA -0.032 58.983 59.018 -0.005 0.000 1.470 133 C CB -1.099 26.626 27.740 -0.024 0.000 1.806 133 C HN 0.311 nan 8.230 nan 0.000 0.468 134 S N 2.723 118.401 115.700 -0.037 0.000 2.387 134 S HA -0.113 4.357 4.470 0.000 0.000 0.230 134 S C -0.822 173.761 174.600 -0.028 0.000 1.035 134 S CA 1.728 59.869 58.200 -0.098 0.000 1.014 134 S CB -1.317 61.629 63.200 -0.423 0.000 0.836 134 S HN 0.615 nan 8.310 nan 0.000 0.466 135 P HA -0.015 nan 4.420 nan 0.000 0.215 135 P C 1.586 178.943 177.300 0.096 0.000 1.153 135 P CA 0.917 64.058 63.100 0.069 0.000 0.853 135 P CB -0.106 31.602 31.700 0.014 0.000 0.788 136 I N -1.213 119.359 120.570 0.003 0.000 2.830 136 I HA -0.199 3.971 4.170 0.000 0.000 0.263 136 I C 2.040 178.180 176.117 0.039 0.000 1.230 136 I CA 1.088 62.358 61.300 -0.051 0.000 1.480 136 I CB -0.086 37.781 38.000 -0.222 0.000 1.095 136 I HN -0.031 nan 8.210 nan 0.000 0.455 137 Q N -0.249 119.600 119.800 0.081 0.000 2.049 137 Q HA -0.201 4.139 4.340 0.000 0.000 0.198 137 Q C 2.067 178.162 176.000 0.157 0.000 0.971 137 Q CA 1.672 57.542 55.803 0.110 0.000 0.833 137 Q CB -0.176 28.616 28.738 0.090 0.000 0.896 137 Q HN 0.485 nan 8.270 nan 0.000 0.434 138 F N 2.228 122.200 119.950 0.036 0.000 2.051 138 F HA -0.225 4.302 4.527 0.000 0.000 0.296 138 F C 2.141 178.024 175.800 0.137 0.000 1.122 138 F CA 1.507 59.566 58.000 0.098 0.000 1.201 138 F CB -0.158 38.944 39.000 0.170 0.000 0.978 138 F HN -0.022 nan 8.300 nan 0.000 0.472 139 E N 0.407 120.612 120.200 0.008 0.000 2.070 139 E HA -0.233 4.117 4.350 0.000 0.000 0.197 139 E C 2.465 178.915 176.600 -0.249 0.000 1.004 139 E CA 1.873 58.166 56.400 -0.179 0.000 0.805 139 E CB -0.964 28.666 29.700 -0.117 0.000 0.744 139 E HN 0.561 nan 8.360 nan 0.000 0.451 140 S N 0.627 116.238 115.700 -0.150 0.000 2.406 140 S HA 0.024 4.494 4.470 0.000 0.000 0.228 140 S C 2.222 176.726 174.600 -0.159 0.000 1.020 140 S CA 1.016 59.075 58.200 -0.235 0.000 0.965 140 S CB -0.102 63.151 63.200 0.088 0.000 0.798 140 S HN 0.265 nan 8.310 nan 0.000 0.488 141 A N 1.517 124.332 122.820 -0.009 0.000 1.877 141 A HA -0.042 4.278 4.320 0.000 0.000 0.216 141 A C 1.933 179.567 177.584 0.083 0.000 1.186 141 A CA 1.361 53.513 52.037 0.191 0.000 0.620 141 A CB -1.349 17.807 19.000 0.259 0.000 0.822 141 A HN 0.753 nan 8.150 nan 0.000 0.443 142 W N 0.853 121.931 121.300 -0.371 0.000 2.355 142 W HA -0.124 4.536 4.660 0.000 0.000 0.309 142 W C 2.493 178.767 176.519 -0.409 0.000 1.206 142 W CA 1.630 58.679 57.345 -0.493 0.000 1.284 142 W CB -0.822 28.215 29.460 -0.706 0.000 1.145 142 W HN 0.402 nan 8.180 nan 0.000 0.502 143 A N 0.373 123.048 122.820 -0.243 0.000 1.908 143 A HA -0.191 4.129 4.320 0.000 0.000 0.218 143 A C 2.304 179.751 177.584 -0.228 0.000 1.181 143 A CA 1.918 53.709 52.037 -0.409 0.000 0.627 143 A CB -1.095 17.388 19.000 -0.862 0.000 0.818 143 A HN 0.320 nan 8.150 nan 0.000 0.445 144 L N -0.945 120.198 121.223 -0.133 0.000 2.093 144 L HA -0.133 4.207 4.340 0.000 0.000 0.208 144 L C 2.768 179.680 176.870 0.071 0.000 1.085 144 L CA 1.598 56.478 54.840 0.067 0.000 0.755 144 L CB -0.736 41.472 42.059 0.250 0.000 0.904 144 L HN 0.339 nan 8.230 nan 0.000 0.435 145 T N -0.438 114.118 114.554 0.003 0.000 2.720 145 T HA -0.195 4.155 4.350 0.000 0.000 0.268 145 T C 1.581 176.229 174.700 -0.086 0.000 1.037 145 T CA 1.798 63.824 62.100 -0.124 0.000 1.144 145 T CB -0.386 68.266 68.868 -0.360 0.000 0.864 145 T HN 0.454 nan 8.240 nan 0.000 0.444 146 N N 0.305 118.968 118.700 -0.061 0.000 2.331 146 N HA 0.091 4.831 4.740 0.000 0.000 0.180 146 N C 1.780 177.292 175.510 0.004 0.000 1.019 146 N CA 0.624 53.657 53.050 -0.030 0.000 0.881 146 N CB -0.106 38.360 38.487 -0.035 0.000 0.972 146 N HN 0.334 nan 8.380 nan 0.000 0.435 147 I N 1.083 121.661 120.570 0.013 0.000 2.286 147 I HA -0.142 4.028 4.170 0.000 0.000 0.245 147 I C 2.380 178.527 176.117 0.050 0.000 1.104 147 I CA 0.515 61.840 61.300 0.041 0.000 1.397 147 I CB -0.237 37.804 38.000 0.068 0.000 1.072 147 I HN 0.110 nan 8.210 nan 0.000 0.417 148 A N 0.570 123.419 122.820 0.049 0.000 2.121 148 A HA -0.154 4.166 4.320 0.000 0.000 0.218 148 A C 2.299 179.927 177.584 0.074 0.000 1.154 148 A CA 1.635 53.702 52.037 0.050 0.000 0.679 148 A CB -0.615 18.402 19.000 0.029 0.000 0.795 148 A HN 0.523 nan 8.150 nan 0.000 0.458 149 S N -0.838 114.908 115.700 0.078 0.000 2.603 149 S HA 0.318 4.788 4.470 0.000 0.000 0.220 149 S C 1.164 175.817 174.600 0.088 0.000 0.967 149 S CA 0.354 58.619 58.200 0.109 0.000 0.920 149 S CB -0.443 62.823 63.200 0.110 0.000 0.773 149 S HN 0.587 nan 8.310 nan 0.000 0.529 150 G N 1.792 110.635 108.800 0.072 0.000 2.783 150 G HA2 0.428 4.388 3.960 0.000 0.000 0.182 150 G HA3 0.428 4.388 3.960 0.000 0.000 0.182 150 G C 0.328 175.268 174.900 0.067 0.000 1.516 150 G CA 0.068 45.206 45.100 0.062 0.000 1.079 150 G HN 0.537 nan 8.290 nan 0.000 0.573 151 T N -2.459 112.131 114.554 0.059 0.000 2.698 151 T HA 0.223 4.573 4.350 0.000 0.000 0.295 151 T C 1.562 176.310 174.700 0.080 0.000 1.007 151 T CA 0.600 62.735 62.100 0.058 0.000 0.980 151 T CB 0.860 69.755 68.868 0.045 0.000 1.036 151 T HN 0.197 nan 8.240 nan 0.000 0.526 152 S N -0.054 115.692 115.700 0.078 0.000 2.402 152 S HA -0.086 4.384 4.470 0.000 0.000 0.229 152 S C 1.939 176.618 174.600 0.131 0.000 1.021 152 S CA 1.304 59.571 58.200 0.112 0.000 0.974 152 S CB -0.589 62.645 63.200 0.057 0.000 0.800 152 S HN 0.922 nan 8.310 nan 0.000 0.484 153 E N 1.809 122.060 120.200 0.085 0.000 2.077 153 E HA -0.190 4.160 4.350 0.000 0.000 0.193 153 E C 2.006 178.659 176.600 0.087 0.000 0.989 153 E CA 1.443 57.891 56.400 0.078 0.000 0.800 153 E CB -0.247 29.483 29.700 0.050 0.000 0.746 153 E HN 0.575 nan 8.360 nan 0.000 0.452 154 Q N -0.569 119.278 119.800 0.079 0.000 2.046 154 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 154 Q C 2.287 178.333 176.000 0.077 0.000 0.975 154 Q CA 1.869 57.714 55.803 0.070 0.000 0.836 154 Q CB -0.109 28.665 28.738 0.060 0.000 0.896 154 Q HN 0.284 nan 8.270 nan 0.000 0.428 155 T N 1.343 115.956 114.554 0.099 0.000 2.746 155 T HA -0.185 4.165 4.350 0.000 0.000 0.267 155 T C 1.692 176.414 174.700 0.037 0.000 1.039 155 T CA 1.423 63.566 62.100 0.072 0.000 1.142 155 T CB -0.153 68.794 68.868 0.132 0.000 0.866 155 T HN 0.238 nan 8.240 nan 0.000 0.444 156 K N 1.060 121.579 120.400 0.199 0.000 2.103 156 K HA -0.088 4.232 4.320 0.000 0.000 0.207 156 K C 2.448 179.106 176.600 0.097 0.000 1.048 156 K CA 1.266 57.709 56.287 0.261 0.000 0.930 156 K CB -0.311 32.373 32.500 0.305 0.000 0.716 156 K HN 0.297 nan 8.250 nan 0.000 0.444 157 A N 0.550 123.412 122.820 0.070 0.000 1.902 157 A HA -0.110 4.210 4.320 0.000 0.000 0.217 157 A C 2.211 179.806 177.584 0.018 0.000 1.181 157 A CA 1.652 53.714 52.037 0.042 0.000 0.623 157 A CB -0.567 18.458 19.000 0.042 0.000 0.818 157 A HN 0.176 nan 8.150 nan 0.000 0.443 158 V N -0.372 119.548 119.914 0.011 0.000 2.295 158 V HA -0.227 3.893 4.120 0.000 0.000 0.246 158 V C 2.581 178.651 176.094 -0.040 0.000 1.049 158 V CA 1.992 64.300 62.300 0.012 0.000 1.024 158 V CB -0.857 30.992 31.823 0.043 0.000 0.648 158 V HN 0.373 nan 8.190 nan 0.000 0.447 159 V N 0.322 120.158 119.914 -0.129 0.000 2.343 159 V HA -0.269 3.851 4.120 0.000 0.000 0.247 159 V C 2.207 178.258 176.094 -0.070 0.000 1.051 159 V CA 2.215 64.403 62.300 -0.188 0.000 1.036 159 V CB -0.805 30.748 31.823 -0.451 0.000 0.654 159 V HN 0.534 nan 8.190 nan 0.000 0.451 160 D N 0.801 121.191 120.400 -0.016 0.000 2.263 160 D HA -0.084 4.556 4.640 0.000 0.000 0.208 160 D C 2.025 178.320 176.300 -0.008 0.000 0.971 160 D CA 1.371 55.380 54.000 0.015 0.000 0.867 160 D CB -0.390 40.432 40.800 0.036 0.000 0.929 160 D HN 0.512 nan 8.370 nan 0.000 0.492 161 G N -0.948 107.837 108.800 -0.024 0.000 2.920 161 G HA2 0.269 4.229 3.960 0.000 0.000 0.208 161 G HA3 0.269 4.229 3.960 0.000 0.000 0.208 161 G C 1.207 176.075 174.900 -0.054 0.000 1.159 161 G CA 0.354 45.430 45.100 -0.040 0.000 0.784 161 G HN 0.402 nan 8.290 nan 0.000 0.535 162 G N -0.897 107.874 108.800 -0.049 0.000 2.143 162 G HA2 -0.044 3.916 3.960 0.000 0.000 0.249 162 G HA3 -0.044 3.916 3.960 0.000 0.000 0.249 162 G C 1.293 176.138 174.900 -0.090 0.000 0.981 162 G CA 0.887 45.955 45.100 -0.053 0.000 0.665 162 G HN 1.120 nan 8.290 nan 0.000 0.528 163 A N -0.142 122.618 122.820 -0.100 0.000 2.019 163 A HA 0.185 4.505 4.320 0.000 0.000 0.219 163 A C 2.356 179.907 177.584 -0.056 0.000 1.164 163 A CA 1.782 53.736 52.037 -0.139 0.000 0.644 163 A CB -0.287 18.698 19.000 -0.025 0.000 0.805 163 A HN 0.781 nan 8.150 nan 0.000 0.449 164 I N 0.466 120.987 120.570 -0.082 0.000 2.099 164 I HA -0.187 3.983 4.170 0.000 0.000 0.239 164 I C -0.244 175.823 176.117 -0.084 0.000 1.066 164 I CA 1.826 63.048 61.300 -0.129 0.000 1.324 164 I CB -1.183 36.538 38.000 -0.466 0.000 1.037 164 I HN 0.260 nan 8.210 nan 0.000 0.401 165 P HA -0.143 nan 4.420 nan 0.000 0.220 165 P C 1.321 178.639 177.300 0.029 0.000 1.148 165 P CA 1.849 64.981 63.100 0.053 0.000 0.803 165 P CB -0.005 31.781 31.700 0.143 0.000 0.782 166 A N -0.588 122.205 122.820 -0.044 0.000 1.898 166 A HA -0.141 4.179 4.320 0.000 0.000 0.216 166 A C 2.024 179.563 177.584 -0.075 0.000 1.181 166 A CA 1.198 53.172 52.037 -0.105 0.000 0.620 166 A CB -1.625 17.234 19.000 -0.235 0.000 0.819 166 A HN 0.020 nan 8.150 nan 0.000 0.442 167 F N -0.048 119.901 119.950 -0.000 0.000 2.206 167 F HA -0.003 4.524 4.527 0.000 0.000 0.298 167 F C 2.098 177.913 175.800 0.026 0.000 1.090 167 F CA 0.623 58.631 58.000 0.013 0.000 1.323 167 F CB -0.392 38.606 39.000 -0.003 0.000 1.028 167 F HN 0.113 nan 8.300 nan 0.000 0.492 168 I N -1.145 119.548 120.570 0.205 0.000 2.394 168 I HA -0.274 3.896 4.170 0.000 0.000 0.251 168 I C 2.245 178.431 176.117 0.116 0.000 1.136 168 I CA 1.080 62.463 61.300 0.139 0.000 1.425 168 I CB -0.518 37.549 38.000 0.112 0.000 1.079 168 I HN -0.020 nan 8.210 nan 0.000 0.425 169 S N 0.778 116.538 115.700 0.100 0.000 2.402 169 S HA -0.049 4.421 4.470 0.000 0.000 0.229 169 S C 1.941 176.594 174.600 0.089 0.000 1.021 169 S CA 1.006 59.252 58.200 0.077 0.000 0.974 169 S CB -0.196 63.036 63.200 0.053 0.000 0.800 169 S HN 0.379 nan 8.310 nan 0.000 0.484 170 L N 1.046 122.341 121.223 0.119 0.000 2.291 170 L HA 0.014 4.354 4.340 0.000 0.000 0.214 170 L C 1.982 178.934 176.870 0.135 0.000 1.120 170 L CA 0.534 55.455 54.840 0.135 0.000 0.799 170 L CB -0.565 41.610 42.059 0.194 0.000 0.925 170 L HN 0.303 nan 8.230 nan 0.000 0.446 171 L N 0.192 121.498 121.223 0.138 0.000 2.089 171 L HA -0.226 4.114 4.340 0.000 0.000 0.213 171 L C 2.130 179.064 176.870 0.107 0.000 1.079 171 L CA 1.281 56.197 54.840 0.128 0.000 0.758 171 L CB -0.565 41.558 42.059 0.108 0.000 0.891 171 L HN 0.266 nan 8.230 nan 0.000 0.433 172 A N -0.938 121.932 122.820 0.083 0.000 2.476 172 A HA 0.141 4.461 4.320 0.000 0.000 0.263 172 A C 0.861 178.470 177.584 0.043 0.000 1.342 172 A CA -0.063 52.010 52.037 0.060 0.000 0.926 172 A CB -0.243 18.786 19.000 0.048 0.000 1.019 172 A HN 0.230 nan 8.150 nan 0.000 0.515 173 S N 0.302 116.034 115.700 0.053 0.000 2.548 173 S HA 0.329 4.799 4.470 0.000 0.000 0.277 173 S C -1.424 173.153 174.600 -0.038 0.000 1.315 173 S CA -1.001 57.220 58.200 0.035 0.000 1.050 173 S CB 0.723 63.972 63.200 0.081 0.000 0.918 173 S HN 0.236 nan 8.310 nan 0.000 0.497 174 P HA -0.003 nan 4.420 nan 0.000 0.228 174 P C -0.409 176.686 177.300 -0.342 0.000 1.151 174 P CA 0.894 63.840 63.100 -0.256 0.000 0.770 174 P CB -0.022 31.466 31.700 -0.352 0.000 0.786 175 H N -0.654 118.370 119.070 -0.077 0.000 2.640 175 H HA 0.335 4.891 4.556 0.000 0.000 0.297 175 H C 1.306 176.514 175.328 -0.200 0.000 1.073 175 H CA -0.364 55.600 56.048 -0.141 0.000 1.305 175 H CB 1.190 30.785 29.762 -0.279 0.000 1.404 175 H HN -0.026 nan 8.280 nan 0.000 0.459 176 A N 4.331 127.117 122.820 -0.056 0.000 1.917 176 A HA -0.243 4.077 4.320 0.000 0.000 0.219 176 A C 2.093 179.593 177.584 -0.139 0.000 1.182 176 A CA 1.737 53.659 52.037 -0.191 0.000 0.633 176 A CB -0.714 18.128 19.000 -0.264 0.000 0.819 176 A HN 0.879 nan 8.150 nan 0.000 0.448 177 H N -0.881 118.130 119.070 -0.099 0.000 2.456 177 H HA 0.017 4.573 4.556 0.000 0.000 0.296 177 H C 1.876 177.281 175.328 0.128 0.000 1.079 177 H CA 1.440 57.450 56.048 -0.063 0.000 1.322 177 H CB -0.637 28.940 29.762 -0.309 0.000 1.388 177 H HN 0.521 nan 8.280 nan 0.000 0.538 178 I N 0.618 120.965 120.570 -0.371 0.000 2.277 178 I HA -0.189 3.981 4.170 0.000 0.000 0.243 178 I C 2.842 179.021 176.117 0.103 0.000 1.094 178 I CA 0.946 62.216 61.300 -0.050 0.000 1.393 178 I CB -0.266 37.656 38.000 -0.131 0.000 1.078 178 I HN 0.221 nan 8.210 nan 0.000 0.417 179 S N 0.689 116.434 115.700 0.075 0.000 2.370 179 S HA -0.297 4.173 4.470 0.000 0.000 0.226 179 S C 2.033 176.796 174.600 0.272 0.000 1.033 179 S CA 2.111 60.410 58.200 0.165 0.000 1.011 179 S CB -0.282 63.008 63.200 0.150 0.000 0.852 179 S HN 0.474 nan 8.310 nan 0.000 0.457 180 E N -0.216 120.174 120.200 0.316 0.000 2.118 180 E HA -0.193 4.157 4.350 0.000 0.000 0.195 180 E C 2.254 179.050 176.600 0.327 0.000 0.992 180 E CA 1.264 57.934 56.400 0.451 0.000 0.804 180 E CB -0.141 29.811 29.700 0.421 0.000 0.741 180 E HN 0.462 nan 8.360 nan 0.000 0.458 181 Q N -0.130 119.817 119.800 0.244 0.000 2.119 181 Q HA -0.108 4.232 4.340 0.000 0.000 0.201 181 Q C 2.147 178.189 176.000 0.071 0.000 0.972 181 Q CA 1.315 57.196 55.803 0.130 0.000 0.847 181 Q CB -0.303 28.475 28.738 0.067 0.000 0.903 181 Q HN 0.401 nan 8.270 nan 0.000 0.433 182 A N 0.310 123.210 122.820 0.134 0.000 1.902 182 A HA -0.137 4.183 4.320 0.000 0.000 0.217 182 A C 2.450 180.019 177.584 -0.025 0.000 1.181 182 A CA 1.552 53.632 52.037 0.071 0.000 0.623 182 A CB -0.743 18.407 19.000 0.249 0.000 0.818 182 A HN 0.202 nan 8.150 nan 0.000 0.443 183 V N -1.459 118.515 119.914 0.100 0.000 2.255 183 V HA -0.272 3.848 4.120 0.000 0.000 0.247 183 V C 2.288 178.461 176.094 0.131 0.000 1.051 183 V CA 2.007 64.358 62.300 0.085 0.000 1.018 183 V CB -0.901 30.973 31.823 0.086 0.000 0.641 183 V HN 0.848 nan 8.190 nan 0.000 0.445 184 W N 0.844 122.134 121.300 -0.016 0.000 2.318 184 W HA -0.258 4.402 4.660 0.000 0.000 0.313 184 W C 2.570 179.059 176.519 -0.050 0.000 1.221 184 W CA 2.524 59.891 57.345 0.035 0.000 1.266 184 W CB -0.814 28.614 29.460 -0.052 0.000 1.150 184 W HN 0.302 nan 8.180 nan 0.000 0.496 185 A N 0.314 123.107 122.820 -0.046 0.000 1.877 185 A HA -0.198 4.122 4.320 0.000 0.000 0.216 185 A C 2.308 179.713 177.584 -0.298 0.000 1.186 185 A CA 1.938 53.720 52.037 -0.426 0.000 0.620 185 A CB -1.175 16.893 19.000 -1.554 0.000 0.822 185 A HN 0.302 nan 8.150 nan 0.000 0.443 186 L N -0.644 120.415 121.223 -0.274 0.000 2.083 186 L HA -0.142 4.198 4.340 0.000 0.000 0.209 186 L C 2.840 179.650 176.870 -0.100 0.000 1.083 186 L CA 1.043 55.794 54.840 -0.148 0.000 0.752 186 L CB -0.889 41.116 42.059 -0.090 0.000 0.899 186 L HN 0.505 nan 8.230 nan 0.000 0.433 187 G N -0.012 108.756 108.800 -0.054 0.000 2.440 187 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 187 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 187 G C 1.416 176.222 174.900 -0.157 0.000 1.154 187 G CA 0.876 45.840 45.100 -0.227 0.000 0.767 187 G HN 0.334 nan 8.290 nan 0.000 0.552 188 N N 0.429 119.215 118.700 0.144 0.000 2.216 188 N HA 0.022 4.762 4.740 0.000 0.000 0.183 188 N C 2.260 177.800 175.510 0.050 0.000 1.017 188 N CA 0.557 53.718 53.050 0.184 0.000 0.861 188 N CB -0.121 38.508 38.487 0.237 0.000 0.986 188 N HN 0.351 nan 8.380 nan 0.000 0.428 189 I N 1.147 121.701 120.570 -0.028 0.000 2.163 189 I HA -0.207 3.963 4.170 0.000 0.000 0.240 189 I C 2.322 178.431 176.117 -0.013 0.000 1.081 189 I CA 1.009 62.254 61.300 -0.092 0.000 1.353 189 I CB -0.355 37.537 38.000 -0.180 0.000 1.054 189 I HN 0.037 nan 8.210 nan 0.000 0.407 190 A N 0.890 123.684 122.820 -0.044 0.000 1.972 190 A HA -0.131 4.189 4.320 0.000 0.000 0.219 190 A C 2.332 179.893 177.584 -0.039 0.000 1.169 190 A CA 1.807 53.827 52.037 -0.028 0.000 0.635 190 A CB -1.362 17.579 19.000 -0.097 0.000 0.810 190 A HN 0.498 nan 8.150 nan 0.000 0.446 191 G N -0.673 108.077 108.800 -0.083 0.000 2.625 191 G HA2 -0.152 3.808 3.960 0.000 0.000 0.214 191 G HA3 -0.152 3.808 3.960 0.000 0.000 0.214 191 G C 1.063 175.964 174.900 0.001 0.000 1.132 191 G CA 1.161 46.209 45.100 -0.087 0.000 0.782 191 G HN 0.603 nan 8.290 nan 0.000 0.538 192 D N -0.343 120.113 120.400 0.092 0.000 2.224 192 D HA 0.277 4.917 4.640 0.000 0.000 0.205 192 D C 1.247 177.572 176.300 0.041 0.000 0.965 192 D CA 1.379 55.459 54.000 0.133 0.000 0.852 192 D CB 0.077 41.091 40.800 0.357 0.000 0.947 192 D HN 0.390 nan 8.370 nan 0.000 0.494 193 G N -2.078 106.734 108.800 0.019 0.000 2.313 193 G HA2 0.185 4.145 3.960 0.000 0.000 0.296 193 G HA3 0.185 4.145 3.960 0.000 0.000 0.296 193 G C 0.506 175.378 174.900 -0.046 0.000 1.356 193 G CA 0.090 45.157 45.100 -0.056 0.000 0.833 193 G HN 0.052 nan 8.290 nan 0.000 0.552 194 S N -0.593 115.066 115.700 -0.069 0.000 2.382 194 S HA 0.052 4.522 4.470 0.000 0.000 0.228 194 S C 2.581 177.165 174.600 -0.026 0.000 1.027 194 S CA 2.174 60.345 58.200 -0.048 0.000 0.991 194 S CB -0.427 62.741 63.200 -0.053 0.000 0.823 194 S HN 1.828 nan 8.310 nan 0.000 0.469 195 A N 1.508 124.285 122.820 -0.071 0.000 1.877 195 A HA 0.097 4.417 4.320 0.000 0.000 0.216 195 A C 1.937 179.562 177.584 0.069 0.000 1.186 195 A CA 1.387 53.387 52.037 -0.061 0.000 0.620 195 A CB -1.001 17.888 19.000 -0.185 0.000 0.822 195 A HN 0.483 nan 8.150 nan 0.000 0.443 196 F N -0.057 119.887 119.950 -0.009 0.000 2.186 196 F HA -0.033 4.494 4.527 0.000 0.000 0.299 196 F C 2.387 178.178 175.800 -0.015 0.000 1.090 196 F CA 0.964 58.960 58.000 -0.007 0.000 1.307 196 F CB -0.703 38.289 39.000 -0.014 0.000 1.019 196 F HN 0.278 nan 8.300 nan 0.000 0.489 197 R N 0.593 121.188 120.500 0.158 0.000 2.073 197 R HA -0.165 4.175 4.340 0.000 0.000 0.234 197 R C 1.640 177.976 176.300 0.060 0.000 1.134 197 R CA 2.075 58.211 56.100 0.060 0.000 0.952 197 R CB -0.380 29.921 30.300 0.002 0.000 0.850 197 R HN 0.120 nan 8.270 nan 0.000 0.433 198 D N 0.702 121.142 120.400 0.067 0.000 2.149 198 D HA -0.139 4.501 4.640 0.000 0.000 0.201 198 D C 1.855 178.217 176.300 0.103 0.000 0.972 198 D CA 0.623 54.661 54.000 0.063 0.000 0.835 198 D CB -0.208 40.618 40.800 0.044 0.000 0.966 198 D HN 0.177 nan 8.370 nan 0.000 0.476 199 L N 0.692 122.006 121.223 0.152 0.000 2.083 199 L HA -0.125 4.215 4.340 0.000 0.000 0.209 199 L C 2.147 179.169 176.870 0.253 0.000 1.083 199 L CA 1.232 56.205 54.840 0.222 0.000 0.752 199 L CB -0.366 41.851 42.059 0.264 0.000 0.899 199 L HN -0.139 nan 8.230 nan 0.000 0.433 200 V N -0.321 119.673 119.914 0.133 0.000 2.407 200 V HA -0.291 3.829 4.120 0.000 0.000 0.248 200 V C 2.452 178.611 176.094 0.109 0.000 1.055 200 V CA 2.070 64.416 62.300 0.076 0.000 1.049 200 V CB -0.442 31.391 31.823 0.016 0.000 0.662 200 V HN 0.416 nan 8.190 nan 0.000 0.455 201 I N -0.614 120.010 120.570 0.089 0.000 2.286 201 I HA -0.204 3.967 4.170 0.000 0.000 0.245 201 I C 2.512 178.677 176.117 0.079 0.000 1.104 201 I CA 1.416 62.757 61.300 0.067 0.000 1.397 201 I CB -0.385 37.639 38.000 0.041 0.000 1.072 201 I HN 0.230 nan 8.210 nan 0.000 0.417 202 K N -0.014 120.443 120.400 0.095 0.000 2.147 202 K HA -0.191 4.129 4.320 0.000 0.000 0.205 202 K C 1.738 178.348 176.600 0.018 0.000 1.049 202 K CA 1.353 57.667 56.287 0.046 0.000 0.936 202 K CB -0.223 32.295 32.500 0.030 0.000 0.722 202 K HN 0.375 nan 8.250 nan 0.000 0.446 203 H N -0.714 118.373 119.070 0.028 0.000 2.556 203 H HA 0.076 4.632 4.556 0.000 0.000 0.268 203 H C 0.635 175.979 175.328 0.027 0.000 0.996 203 H CA 0.780 56.846 56.048 0.029 0.000 1.157 203 H CB 0.216 29.998 29.762 0.034 0.000 1.355 203 H HN 0.407 nan 8.280 nan 0.000 0.597 204 G N 0.251 109.118 108.800 0.112 0.000 2.289 204 G HA2 -0.243 3.717 3.960 0.000 0.000 0.280 204 G HA3 -0.243 3.717 3.960 0.000 0.000 0.280 204 G C 1.021 175.965 174.900 0.074 0.000 1.089 204 G CA 0.390 45.534 45.100 0.072 0.000 0.939 204 G HN 0.595 nan 8.290 nan 0.000 0.499 205 A N -0.658 122.205 122.820 0.072 0.000 2.021 205 A HA 0.414 4.734 4.320 0.000 0.000 0.216 205 A C 2.339 179.943 177.584 0.033 0.000 1.163 205 A CA 1.413 53.483 52.037 0.055 0.000 0.676 205 A CB -0.114 18.912 19.000 0.043 0.000 0.818 205 A HN 0.712 nan 8.150 nan 0.000 0.453 206 I N 0.140 120.726 120.570 0.027 0.000 2.163 206 I HA -0.265 3.905 4.170 0.000 0.000 0.243 206 I C 1.917 178.043 176.117 0.015 0.000 1.085 206 I CA 1.553 62.861 61.300 0.014 0.000 1.347 206 I CB -0.490 37.517 38.000 0.012 0.000 1.044 206 I HN 0.222 nan 8.210 nan 0.000 0.408 207 D N 0.799 121.211 120.400 0.021 0.000 2.092 207 D HA -0.141 4.499 4.640 0.000 0.000 0.193 207 D C -0.315 175.999 176.300 0.022 0.000 0.994 207 D CA 1.604 55.615 54.000 0.020 0.000 0.828 207 D CB -1.767 39.046 40.800 0.022 0.000 0.963 207 D HN 0.246 nan 8.370 nan 0.000 0.450 208 P HA -0.077 nan 4.420 nan 0.000 0.215 208 P C 1.776 179.095 177.300 0.032 0.000 1.153 208 P CA 0.795 63.918 63.100 0.038 0.000 0.853 208 P CB 0.002 31.732 31.700 0.050 0.000 0.788 209 L N -1.426 119.809 121.223 0.020 0.000 2.017 209 L HA -0.171 4.169 4.340 0.000 0.000 0.208 209 L C 2.453 179.316 176.870 -0.012 0.000 1.073 209 L CA 1.419 56.258 54.840 -0.001 0.000 0.745 209 L CB -1.005 41.045 42.059 -0.015 0.000 0.894 209 L HN -0.040 nan 8.230 nan 0.000 0.432 210 L N -0.534 120.686 121.223 -0.005 0.000 2.141 210 L HA -0.165 4.175 4.340 0.000 0.000 0.209 210 L C 2.837 179.707 176.870 0.001 0.000 1.094 210 L CA 0.934 55.769 54.840 -0.008 0.000 0.763 210 L CB -0.786 41.271 42.059 -0.002 0.000 0.908 210 L HN 0.250 nan 8.230 nan 0.000 0.437 211 A N 0.302 123.129 122.820 0.012 0.000 1.972 211 A HA -0.142 4.178 4.320 0.000 0.000 0.219 211 A C 2.243 179.845 177.584 0.029 0.000 1.169 211 A CA 1.218 53.267 52.037 0.021 0.000 0.635 211 A CB -0.568 18.448 19.000 0.028 0.000 0.810 211 A HN 0.381 nan 8.150 nan 0.000 0.446 212 L N -1.061 120.181 121.223 0.032 0.000 2.201 212 L HA -0.077 4.263 4.340 0.000 0.000 0.212 212 L C 1.622 178.512 176.870 0.032 0.000 1.105 212 L CA 0.768 55.642 54.840 0.057 0.000 0.775 212 L CB -0.293 41.795 42.059 0.048 0.000 0.913 212 L HN 0.345 nan 8.230 nan 0.000 0.440 213 L N -0.349 120.868 121.223 -0.009 0.000 2.700 213 L HA 0.222 4.562 4.340 0.000 0.000 0.234 213 L C 1.307 178.174 176.870 -0.004 0.000 1.156 213 L CA -0.436 54.390 54.840 -0.023 0.000 0.946 213 L CB -0.044 41.983 42.059 -0.054 0.000 1.216 213 L HN 0.040 nan 8.230 nan 0.000 0.493 214 A N 1.359 124.185 122.820 0.010 0.000 3.029 214 A HA 0.401 4.721 4.320 0.000 0.000 0.251 214 A C 0.265 177.858 177.584 0.016 0.000 1.749 214 A CA -0.102 51.942 52.037 0.012 0.000 1.386 214 A CB -0.921 18.088 19.000 0.014 0.000 1.043 214 A HN 0.146 nan 8.150 nan 0.000 0.638 215 V N -3.039 116.884 119.914 0.015 0.000 2.914 215 V HA 0.577 4.697 4.120 0.000 0.000 0.314 215 V C -1.917 174.187 176.094 0.017 0.000 1.084 215 V CA -1.850 60.462 62.300 0.019 0.000 0.963 215 V CB 1.244 33.084 31.823 0.027 0.000 1.025 215 V HN 0.257 nan 8.190 nan 0.000 0.432 216 P HA -0.056 nan 4.420 nan 0.000 0.215 216 P C -0.090 177.224 177.300 0.023 0.000 1.157 216 P CA 1.593 64.703 63.100 0.016 0.000 0.874 216 P CB 0.156 31.865 31.700 0.014 0.000 0.790 217 D N -1.494 118.924 120.400 0.031 0.000 2.505 217 D HA 0.132 4.772 4.640 0.000 0.000 0.250 217 D C 1.031 177.368 176.300 0.061 0.000 1.164 217 D CA -0.386 53.643 54.000 0.048 0.000 0.870 217 D CB 0.961 41.789 40.800 0.046 0.000 1.160 217 D HN -0.172 nan 8.370 nan 0.000 0.549 218 L N 2.046 123.313 121.223 0.073 0.000 2.189 218 L HA -0.176 4.164 4.340 0.000 0.000 0.214 218 L C 2.096 179.032 176.870 0.109 0.000 1.097 218 L CA 0.783 55.644 54.840 0.036 0.000 0.764 218 L CB -0.282 41.736 42.059 -0.069 0.000 0.900 218 L HN 0.326 nan 8.230 nan 0.000 0.436 219 S N -0.677 115.148 115.700 0.207 0.000 2.440 219 S HA -0.164 4.306 4.470 0.000 0.000 0.238 219 S C 1.914 176.582 174.600 0.114 0.000 1.010 219 S CA 1.746 60.067 58.200 0.202 0.000 0.972 219 S CB -0.393 62.882 63.200 0.125 0.000 0.774 219 S HN 0.672 nan 8.310 nan 0.000 0.501 220 T N -0.258 114.345 114.554 0.081 0.000 3.148 220 T HA 0.271 4.621 4.350 0.000 0.000 0.253 220 T C 0.483 175.221 174.700 0.064 0.000 1.134 220 T CA 0.005 62.141 62.100 0.061 0.000 1.051 220 T CB -0.382 68.514 68.868 0.046 0.000 0.959 220 T HN 0.168 nan 8.240 nan 0.000 0.525 221 L N 1.568 122.835 121.223 0.075 0.000 2.399 221 L HA 0.620 4.960 4.340 0.000 0.000 0.266 221 L C 0.817 177.749 176.870 0.103 0.000 1.114 221 L CA -1.255 53.643 54.840 0.097 0.000 0.804 221 L CB 0.527 42.642 42.059 0.094 0.000 1.146 221 L HN 0.136 nan 8.230 nan 0.000 0.451 222 A N 1.097 123.992 122.820 0.124 0.000 2.520 222 A HA 0.023 4.343 4.320 0.000 0.000 0.245 222 A C 1.154 178.812 177.584 0.124 0.000 1.072 222 A CA -0.169 51.931 52.037 0.104 0.000 0.761 222 A CB 0.289 19.337 19.000 0.080 0.000 1.004 222 A HN 1.097 nan 8.150 nan 0.000 0.499 223 C N 2.999 122.354 119.300 0.091 0.000 2.376 223 C HA -0.149 4.311 4.460 0.000 0.000 0.275 223 C C 2.686 177.715 174.990 0.066 0.000 1.200 223 C CA 2.145 61.210 59.018 0.079 0.000 1.756 223 C CB -1.602 26.179 27.740 0.067 0.000 2.050 223 C HN 0.972 nan 8.230 nan 0.000 0.460 224 G N -1.940 106.903 108.800 0.071 0.000 2.442 224 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 224 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 224 G C 1.466 176.424 174.900 0.096 0.000 1.141 224 G CA 1.139 46.273 45.100 0.056 0.000 0.763 224 G HN 0.696 nan 8.290 nan 0.000 0.554 225 Y N 0.640 120.936 120.300 -0.007 0.000 2.163 225 Y HA -0.009 4.541 4.550 0.000 0.000 0.288 225 Y C 2.503 178.391 175.900 -0.020 0.000 1.136 225 Y CA 1.117 59.216 58.100 -0.001 0.000 1.147 225 Y CB -0.500 37.968 38.460 0.014 0.000 0.987 225 Y HN 0.132 nan 8.280 nan 0.000 0.509 226 L N 0.682 121.888 121.223 -0.028 0.000 2.046 226 L HA -0.188 4.152 4.340 0.000 0.000 0.208 226 L C 2.350 179.139 176.870 -0.135 0.000 1.077 226 L CA 1.755 56.507 54.840 -0.146 0.000 0.747 226 L CB -0.610 41.374 42.059 -0.125 0.000 0.896 226 L HN 0.113 nan 8.230 nan 0.000 0.432 227 R N -0.828 119.624 120.500 -0.080 0.000 2.096 227 R HA -0.129 4.211 4.340 0.000 0.000 0.235 227 R C 2.129 178.378 176.300 -0.086 0.000 1.127 227 R CA 1.255 57.313 56.100 -0.070 0.000 0.968 227 R CB -0.550 29.705 30.300 -0.074 0.000 0.861 227 R HN 0.478 nan 8.270 nan 0.000 0.440 228 N N 0.884 119.501 118.700 -0.140 0.000 2.106 228 N HA -0.113 4.627 4.740 0.000 0.000 0.188 228 N C 1.895 177.369 175.510 -0.059 0.000 1.029 228 N CA 1.164 54.126 53.050 -0.148 0.000 0.848 228 N CB -0.054 38.346 38.487 -0.146 0.000 1.007 228 N HN 0.151 nan 8.380 nan 0.000 0.423 229 L N 0.777 121.893 121.223 -0.178 0.000 2.017 229 L HA -0.175 4.165 4.340 0.000 0.000 0.208 229 L C 2.360 179.176 176.870 -0.089 0.000 1.073 229 L CA 1.186 55.922 54.840 -0.173 0.000 0.745 229 L CB -0.764 41.119 42.059 -0.294 0.000 0.894 229 L HN 0.161 nan 8.230 nan 0.000 0.432 230 T N -1.412 113.102 114.554 -0.066 0.000 2.652 230 T HA -0.291 4.059 4.350 0.000 0.000 0.267 230 T C 1.313 176.033 174.700 0.033 0.000 1.039 230 T CA 1.858 63.947 62.100 -0.019 0.000 1.153 230 T CB -0.507 68.358 68.868 -0.004 0.000 0.863 230 T HN 0.520 nan 8.240 nan 0.000 0.428 231 W N 1.780 123.012 121.300 -0.114 0.000 2.338 231 W HA -0.178 4.482 4.660 0.000 0.000 0.304 231 W C 2.308 178.775 176.519 -0.087 0.000 1.212 231 W CA 1.587 58.870 57.345 -0.104 0.000 1.264 231 W CB -0.831 28.518 29.460 -0.186 0.000 1.142 231 W HN 0.128 nan 8.180 nan 0.000 0.512 232 T N 1.336 115.783 114.554 -0.178 0.000 2.737 232 T HA -0.199 4.151 4.350 0.000 0.000 0.265 232 T C 1.957 176.486 174.700 -0.284 0.000 1.038 232 T CA 1.768 63.652 62.100 -0.359 0.000 1.144 232 T CB -0.635 68.153 68.868 -0.133 0.000 0.866 232 T HN 0.125 nan 8.240 nan 0.000 0.434 233 L N 0.828 121.957 121.223 -0.157 0.000 2.127 233 L HA -0.130 4.210 4.340 0.000 0.000 0.211 233 L C 2.848 179.663 176.870 -0.092 0.000 1.089 233 L CA 0.935 55.714 54.840 -0.102 0.000 0.757 233 L CB -0.535 41.488 42.059 -0.061 0.000 0.899 233 L HN 0.285 nan 8.230 nan 0.000 0.434 234 S N -0.013 115.620 115.700 -0.111 0.000 2.368 234 S HA -0.167 4.303 4.470 0.000 0.000 0.225 234 S C 1.769 176.345 174.600 -0.040 0.000 1.030 234 S CA 1.356 59.549 58.200 -0.012 0.000 0.999 234 S CB -0.177 63.027 63.200 0.007 0.000 0.844 234 S HN 0.463 nan 8.310 nan 0.000 0.459 235 N N 1.109 119.626 118.700 -0.306 0.000 2.381 235 N HA 0.031 4.771 4.740 0.000 0.000 0.182 235 N C 1.478 176.865 175.510 -0.206 0.000 1.025 235 N CA 0.695 53.542 53.050 -0.338 0.000 0.888 235 N CB -0.306 37.851 38.487 -0.550 0.000 0.965 235 N HN 0.438 nan 8.380 nan 0.000 0.438 236 L N -0.342 120.792 121.223 -0.149 0.000 2.478 236 L HA -0.006 4.334 4.340 0.000 0.000 0.223 236 L C 1.575 178.420 176.870 -0.041 0.000 1.140 236 L CA 0.274 55.063 54.840 -0.084 0.000 0.842 236 L CB 0.050 42.070 42.059 -0.065 0.000 0.953 236 L HN 0.167 nan 8.230 nan 0.000 0.452 237 C N -0.721 118.576 119.300 -0.005 0.000 2.865 237 C HA 0.035 4.495 4.460 0.000 0.000 0.280 237 C C 2.665 177.668 174.990 0.022 0.000 1.255 237 C CA -0.398 58.663 59.018 0.071 0.000 1.705 237 C CB -0.507 27.346 27.740 0.188 0.000 2.080 237 C HN 0.548 nan 8.230 nan 0.000 0.591 238 R N 1.752 122.133 120.500 -0.199 0.000 2.117 238 R HA -0.060 4.280 4.340 0.000 0.000 0.243 238 R C 0.449 176.440 176.300 -0.515 0.000 1.143 238 R CA 1.257 57.017 56.100 -0.566 0.000 0.968 238 R CB -0.401 29.206 30.300 -1.154 0.000 0.863 238 R HN 0.454 nan 8.270 nan 0.000 0.444 239 N N 0.549 119.093 118.700 -0.260 0.000 2.483 239 N HA 0.170 4.910 4.740 0.000 0.000 0.285 239 N C -0.356 175.099 175.510 -0.091 0.000 1.210 239 N CA -0.501 52.447 53.050 -0.169 0.000 0.931 239 N CB 1.718 40.119 38.487 -0.143 0.000 1.220 239 N HN 0.068 nan 8.380 nan 0.000 0.542 240 K N 0.398 120.761 120.400 -0.061 0.000 2.438 240 K HA 0.254 4.574 4.320 0.000 0.000 0.205 240 K C -0.727 175.858 176.600 -0.025 0.000 1.033 240 K CA 0.007 56.277 56.287 -0.028 0.000 1.089 240 K CB 0.334 32.828 32.500 -0.009 0.000 0.857 240 K HN 0.342 nan 8.250 nan 0.000 0.522 241 N N 2.191 120.870 118.700 -0.035 0.000 2.750 241 N HA 0.189 4.929 4.740 0.000 0.000 0.253 241 N C -2.575 172.915 175.510 -0.033 0.000 1.408 241 N CA -0.736 52.296 53.050 -0.029 0.000 0.780 241 N CB 1.584 40.053 38.487 -0.030 0.000 1.191 241 N HN 0.156 nan 8.380 nan 0.000 0.511 242 P HA 0.476 nan 4.420 nan 0.000 0.284 242 P C -0.422 176.867 177.300 -0.018 0.000 1.292 242 P CA -0.435 62.655 63.100 -0.017 0.000 0.800 242 P CB 1.055 32.748 31.700 -0.011 0.000 1.188 243 A N 0.446 123.261 122.820 -0.009 0.000 2.287 243 A HA 0.538 4.858 4.320 0.000 0.000 0.273 243 A C -2.150 175.432 177.584 -0.004 0.000 1.091 243 A CA -1.364 50.670 52.037 -0.005 0.000 0.817 243 A CB -1.453 17.552 19.000 0.009 0.000 1.069 243 A HN 0.414 nan 8.150 nan 0.000 0.492 244 P HA 0.174 nan 4.420 nan 0.000 0.267 244 P C -2.454 174.850 177.300 0.007 0.000 1.201 244 P CA -0.460 62.641 63.100 0.001 0.000 0.775 244 P CB -0.411 31.293 31.700 0.006 0.000 0.854 245 P HA 0.078 nan 4.420 nan 0.000 0.268 245 P C 0.955 178.261 177.300 0.010 0.000 1.204 245 P CA 0.183 63.288 63.100 0.008 0.000 0.768 245 P CB 0.312 32.018 31.700 0.010 0.000 0.842 246 L N 2.366 123.595 121.223 0.009 0.000 2.042 246 L HA -0.215 4.125 4.340 0.000 0.000 0.210 246 L C 2.041 178.917 176.870 0.009 0.000 1.076 246 L CA 1.909 56.755 54.840 0.010 0.000 0.749 246 L CB -0.595 41.469 42.059 0.008 0.000 0.893 246 L HN 0.553 nan 8.230 nan 0.000 0.432 247 D N -0.174 120.231 120.400 0.008 0.000 2.269 247 D HA -0.147 4.493 4.640 0.000 0.000 0.208 247 D C 1.881 178.186 176.300 0.009 0.000 0.963 247 D CA 1.151 55.156 54.000 0.008 0.000 0.864 247 D CB 0.189 40.993 40.800 0.007 0.000 0.936 247 D HN 0.310 nan 8.370 nan 0.000 0.505 248 A N 0.989 123.815 122.820 0.010 0.000 1.897 248 A HA 0.013 4.333 4.320 0.000 0.000 0.215 248 A C 2.593 180.183 177.584 0.010 0.000 1.181 248 A CA 1.085 53.127 52.037 0.010 0.000 0.620 248 A CB -0.633 18.373 19.000 0.010 0.000 0.821 248 A HN 0.170 nan 8.150 nan 0.000 0.443 249 V N 0.376 120.297 119.914 0.012 0.000 2.343 249 V HA -0.207 3.914 4.120 0.000 0.000 0.247 249 V C 2.498 178.600 176.094 0.013 0.000 1.051 249 V CA 2.013 64.322 62.300 0.015 0.000 1.036 249 V CB -0.745 31.090 31.823 0.019 0.000 0.654 249 V HN 0.497 nan 8.190 nan 0.000 0.451 250 E N 0.037 120.243 120.200 0.011 0.000 2.077 250 E HA -0.275 4.075 4.350 0.000 0.000 0.193 250 E C 2.241 178.846 176.600 0.008 0.000 0.989 250 E CA 1.524 57.930 56.400 0.009 0.000 0.800 250 E CB -0.222 29.482 29.700 0.008 0.000 0.746 250 E HN 0.727 nan 8.360 nan 0.000 0.452 251 Q N 0.287 120.092 119.800 0.007 0.000 2.170 251 Q HA -0.111 4.229 4.340 0.000 0.000 0.203 251 Q C 2.166 178.169 176.000 0.005 0.000 0.976 251 Q CA 0.941 56.748 55.803 0.006 0.000 0.858 251 Q CB 0.032 28.774 28.738 0.007 0.000 0.907 251 Q HN 0.257 nan 8.270 nan 0.000 0.433 252 I N 0.067 120.640 120.570 0.006 0.000 2.480 252 I HA -0.220 3.950 4.170 0.000 0.000 0.251 252 I C 2.117 178.238 176.117 0.006 0.000 1.124 252 I CA 0.286 61.588 61.300 0.004 0.000 1.444 252 I CB -0.085 37.918 38.000 0.004 0.000 1.098 252 I HN 0.241 nan 8.210 nan 0.000 0.428 253 L N 1.057 122.286 121.223 0.010 0.000 2.010 253 L HA -0.236 4.104 4.340 0.000 0.000 0.219 253 L C -0.249 176.630 176.870 0.014 0.000 1.077 253 L CA 2.236 57.084 54.840 0.013 0.000 0.773 253 L CB -1.786 40.281 42.059 0.014 0.000 0.892 253 L HN 0.184 nan 8.230 nan 0.000 0.436 254 P HA -0.162 nan 4.420 nan 0.000 0.215 254 P C 1.566 178.874 177.300 0.013 0.000 1.157 254 P CA 1.703 64.810 63.100 0.011 0.000 0.874 254 P CB -0.056 31.648 31.700 0.005 0.000 0.790 255 T N -0.480 114.078 114.554 0.007 0.000 2.777 255 T HA -0.104 4.246 4.350 0.000 0.000 0.266 255 T C 1.675 176.379 174.700 0.007 0.000 1.040 255 T CA 0.785 62.886 62.100 0.002 0.000 1.141 255 T CB -0.925 67.938 68.868 -0.009 0.000 0.868 255 T HN -0.041 nan 8.240 nan 0.000 0.444 256 L N 1.384 122.612 121.223 0.008 0.000 2.079 256 L HA -0.060 4.280 4.340 0.000 0.000 0.210 256 L C 2.423 179.311 176.870 0.029 0.000 1.081 256 L CA 1.437 56.283 54.840 0.010 0.000 0.752 256 L CB -0.716 41.348 42.059 0.008 0.000 0.896 256 L HN 0.098 nan 8.230 nan 0.000 0.433 257 V N -0.631 119.311 119.914 0.047 0.000 2.515 257 V HA -0.248 3.872 4.120 0.000 0.000 0.250 257 V C 2.618 178.815 176.094 0.172 0.000 1.058 257 V CA 1.660 64.022 62.300 0.102 0.000 1.064 257 V CB -0.642 31.237 31.823 0.094 0.000 0.675 257 V HN 0.441 nan 8.190 nan 0.000 0.461 258 R N -0.220 120.339 120.500 0.099 0.000 2.096 258 R HA -0.074 4.266 4.340 0.000 0.000 0.235 258 R C 2.261 178.637 176.300 0.126 0.000 1.127 258 R CA 1.293 57.454 56.100 0.102 0.000 0.968 258 R CB -0.402 29.924 30.300 0.044 0.000 0.861 258 R HN 0.415 nan 8.270 nan 0.000 0.440 259 L N 0.338 121.602 121.223 0.068 0.000 2.093 259 L HA -0.151 4.189 4.340 0.000 0.000 0.208 259 L C 2.246 179.159 176.870 0.072 0.000 1.085 259 L CA 0.516 55.383 54.840 0.046 0.000 0.755 259 L CB -0.344 41.712 42.059 -0.005 0.000 0.904 259 L HN 0.162 nan 8.230 nan 0.000 0.435 260 L N -1.077 120.170 121.223 0.041 0.000 2.362 260 L HA -0.164 4.176 4.340 0.000 0.000 0.219 260 L C 2.038 178.814 176.870 -0.157 0.000 1.134 260 L CA 1.687 56.489 54.840 -0.063 0.000 0.807 260 L CB -0.599 41.396 42.059 -0.107 0.000 0.927 260 L HN 0.291 nan 8.230 nan 0.000 0.447 261 H N -2.763 116.330 119.070 0.038 0.000 2.594 261 H HA 0.160 4.716 4.556 0.000 0.000 0.279 261 H C -0.143 175.221 175.328 0.059 0.000 1.042 261 H CA -0.205 55.862 56.048 0.032 0.000 1.177 261 H CB 0.128 29.904 29.762 0.023 0.000 1.524 261 H HN 0.348 nan 8.280 nan 0.000 0.537 262 H N 1.582 120.688 119.070 0.060 0.000 2.551 262 H HA 0.000 4.556 4.556 0.000 0.000 0.358 262 H C 1.295 176.630 175.328 0.013 0.000 1.151 262 H CA -0.107 55.963 56.048 0.036 0.000 1.374 262 H CB 0.925 30.701 29.762 0.024 0.000 1.473 262 H HN 0.234 nan 8.280 nan 0.000 0.574 263 N N 0.866 119.226 118.700 -0.566 0.000 2.467 263 N HA -0.075 4.665 4.740 0.000 0.000 0.184 263 N C -0.479 174.931 175.510 -0.166 0.000 1.106 263 N CA 0.151 53.015 53.050 -0.310 0.000 0.892 263 N CB 0.135 38.440 38.487 -0.304 0.000 0.969 263 N HN 0.514 nan 8.380 nan 0.000 0.454 264 D N 1.208 121.581 120.400 -0.045 0.000 2.343 264 D HA 0.126 4.766 4.640 0.000 0.000 0.255 264 D C -1.288 175.047 176.300 0.059 0.000 1.187 264 D CA -2.245 51.801 54.000 0.077 0.000 0.875 264 D CB 1.150 42.074 40.800 0.206 0.000 1.136 264 D HN 0.009 nan 8.370 nan 0.000 0.469 265 P HA -0.203 nan 4.420 nan 0.000 0.218 265 P C 0.586 177.902 177.300 0.027 0.000 1.146 265 P CA 1.284 64.391 63.100 0.013 0.000 0.813 265 P CB 0.370 32.072 31.700 0.003 0.000 0.778 266 E N -0.581 119.641 120.200 0.037 0.000 2.086 266 E HA -0.037 4.313 4.350 0.000 0.000 0.190 266 E C 2.178 178.813 176.600 0.058 0.000 0.975 266 E CA 0.423 56.847 56.400 0.041 0.000 0.813 266 E CB -0.314 29.395 29.700 0.016 0.000 0.768 266 E HN 0.009 nan 8.360 nan 0.000 0.457 267 V N 1.790 121.743 119.914 0.065 0.000 2.343 267 V HA -0.266 3.854 4.120 0.000 0.000 0.247 267 V C 2.329 178.457 176.094 0.058 0.000 1.051 267 V CA 1.470 63.809 62.300 0.065 0.000 1.036 267 V CB -0.428 31.451 31.823 0.095 0.000 0.654 267 V HN 0.269 nan 8.190 nan 0.000 0.451 268 L N -0.093 121.161 121.223 0.051 0.000 2.042 268 L HA -0.200 4.140 4.340 0.000 0.000 0.210 268 L C 2.726 179.586 176.870 -0.017 0.000 1.076 268 L CA 1.647 56.490 54.840 0.005 0.000 0.749 268 L CB -0.787 41.263 42.059 -0.016 0.000 0.893 268 L HN 0.378 nan 8.230 nan 0.000 0.432 269 A N -0.133 122.699 122.820 0.020 0.000 1.858 269 A HA -0.237 4.083 4.320 0.000 0.000 0.216 269 A C 1.966 179.635 177.584 0.143 0.000 1.190 269 A CA 2.029 54.093 52.037 0.046 0.000 0.617 269 A CB -0.598 18.477 19.000 0.126 0.000 0.827 269 A HN 0.364 nan 8.150 nan 0.000 0.443 270 D N -0.370 120.155 120.400 0.207 0.000 2.219 270 D HA -0.051 4.589 4.640 0.000 0.000 0.205 270 D C 2.199 178.578 176.300 0.132 0.000 0.970 270 D CA 1.254 55.414 54.000 0.267 0.000 0.851 270 D CB -0.200 40.740 40.800 0.234 0.000 0.943 270 D HN 0.355 nan 8.370 nan 0.000 0.488 271 S N -0.225 115.502 115.700 0.046 0.000 2.356 271 S HA -0.134 4.336 4.470 0.000 0.000 0.223 271 S C 2.197 176.752 174.600 -0.074 0.000 1.032 271 S CA 0.560 58.754 58.200 -0.010 0.000 1.005 271 S CB -0.231 62.956 63.200 -0.021 0.000 0.867 271 S HN 0.372 nan 8.310 nan 0.000 0.449 272 C N -0.027 119.190 119.300 -0.139 0.000 2.422 272 C HA -0.057 4.403 4.460 0.000 0.000 0.279 272 C C 2.144 176.900 174.990 -0.389 0.000 1.305 272 C CA 0.161 59.014 59.018 -0.273 0.000 1.757 272 C CB -1.519 26.004 27.740 -0.362 0.000 1.962 272 C HN 0.749 nan 8.230 nan 0.000 0.499 273 W N 0.590 121.731 121.300 -0.265 0.000 2.418 273 W HA -0.031 4.629 4.660 0.000 0.000 0.292 273 W C 2.602 178.553 176.519 -0.946 0.000 1.213 273 W CA 1.014 58.030 57.345 -0.550 0.000 1.283 273 W CB -0.455 28.773 29.460 -0.386 0.000 1.119 273 W HN 0.248 nan 8.180 nan 0.000 0.542 274 A N 0.298 122.970 122.820 -0.247 0.000 1.877 274 A HA -0.203 4.117 4.320 0.000 0.000 0.216 274 A C 1.846 179.375 177.584 -0.092 0.000 1.186 274 A CA 1.699 53.677 52.037 -0.098 0.000 0.620 274 A CB -0.850 18.164 19.000 0.023 0.000 0.822 274 A HN 0.158 nan 8.150 nan 0.000 0.443 275 I N 1.092 121.592 120.570 -0.117 0.000 2.315 275 I HA -0.189 3.981 4.170 0.000 0.000 0.248 275 I C 2.815 178.883 176.117 -0.082 0.000 1.117 275 I CA 1.973 63.227 61.300 -0.077 0.000 1.404 275 I CB -1.487 36.458 38.000 -0.091 0.000 1.071 275 I HN 0.549 nan 8.210 nan 0.000 0.419 276 S N 0.733 116.322 115.700 -0.184 0.000 2.419 276 S HA -0.195 4.275 4.470 0.000 0.000 0.233 276 S C 2.070 176.702 174.600 0.053 0.000 1.016 276 S CA 0.892 59.023 58.200 -0.115 0.000 0.974 276 S CB -0.648 62.421 63.200 -0.218 0.000 0.786 276 S HN 0.363 nan 8.310 nan 0.000 0.492 277 Y N 1.929 122.294 120.300 0.108 0.000 2.206 277 Y HA 0.280 4.830 4.550 0.000 0.000 0.292 277 Y C 2.348 178.279 175.900 0.053 0.000 1.123 277 Y CA -0.127 58.026 58.100 0.088 0.000 1.142 277 Y CB -0.997 37.507 38.460 0.074 0.000 1.006 277 Y HN 0.197 nan 8.280 nan 0.000 0.518 278 L N -0.145 121.194 121.223 0.193 0.000 2.191 278 L HA -0.171 4.169 4.340 0.000 0.000 0.212 278 L C 2.040 178.958 176.870 0.080 0.000 1.103 278 L CA 1.918 56.824 54.840 0.110 0.000 0.769 278 L CB -0.991 41.111 42.059 0.071 0.000 0.908 278 L HN 0.358 nan 8.230 nan 0.000 0.438 279 T N -5.328 109.272 114.554 0.077 0.000 3.107 279 T HA -0.011 4.339 4.350 0.000 0.000 0.249 279 T C 0.660 175.411 174.700 0.085 0.000 1.096 279 T CA -0.261 61.875 62.100 0.060 0.000 1.012 279 T CB -0.148 68.742 68.868 0.036 0.000 0.977 279 T HN -0.011 nan 8.240 nan 0.000 0.527 280 D N 1.496 121.965 120.400 0.115 0.000 2.494 280 D HA 0.556 5.196 4.640 0.000 0.000 0.217 280 D C 0.497 176.850 176.300 0.087 0.000 1.153 280 D CA 0.287 54.361 54.000 0.123 0.000 0.954 280 D CB 0.009 40.903 40.800 0.156 0.000 1.034 280 D HN 0.582 nan 8.370 nan 0.000 0.518 281 G N 2.618 111.460 108.800 0.070 0.000 2.356 281 G HA2 0.241 4.201 3.960 0.000 0.000 0.281 281 G HA3 0.241 4.201 3.960 0.000 0.000 0.281 281 G C -2.808 172.114 174.900 0.036 0.000 1.246 281 G CA -0.853 44.276 45.100 0.048 0.000 0.889 281 G HN 0.247 nan 8.290 nan 0.000 0.486 282 P HA 0.251 nan 4.420 nan 0.000 0.269 282 P C 0.740 178.048 177.300 0.014 0.000 1.215 282 P CA -0.242 62.868 63.100 0.017 0.000 0.780 282 P CB 0.506 32.214 31.700 0.013 0.000 0.898 283 N N 0.627 119.332 118.700 0.007 0.000 2.132 283 N HA -0.239 4.501 4.740 0.000 0.000 0.191 283 N C 1.111 176.623 175.510 0.003 0.000 1.015 283 N CA 1.101 54.153 53.050 0.002 0.000 0.864 283 N CB -0.148 38.337 38.487 -0.003 0.000 1.006 283 N HN 0.541 nan 8.380 nan 0.000 0.430 284 E N 0.670 120.873 120.200 0.005 0.000 2.118 284 E HA -0.101 4.250 4.350 0.000 0.000 0.195 284 E C 1.916 178.521 176.600 0.009 0.000 0.992 284 E CA 0.806 57.210 56.400 0.005 0.000 0.804 284 E CB 0.082 29.786 29.700 0.006 0.000 0.741 284 E HN 0.249 nan 8.360 nan 0.000 0.458 285 R N 0.185 120.693 120.500 0.013 0.000 2.066 285 R HA -0.001 4.340 4.340 0.000 0.000 0.232 285 R C 2.435 178.745 176.300 0.017 0.000 1.131 285 R CA 0.975 57.087 56.100 0.019 0.000 0.955 285 R CB -0.656 29.660 30.300 0.027 0.000 0.851 285 R HN 0.295 nan 8.270 nan 0.000 0.432 286 I N 0.890 121.468 120.570 0.014 0.000 2.208 286 I HA -0.261 3.909 4.170 0.000 0.000 0.245 286 I C 2.456 178.574 176.117 0.002 0.000 1.097 286 I CA 1.279 62.584 61.300 0.008 0.000 1.363 286 I CB -0.289 37.713 38.000 0.002 0.000 1.051 286 I HN 0.104 nan 8.210 nan 0.000 0.413 287 E N 1.692 121.892 120.200 0.001 0.000 2.085 287 E HA -0.246 4.105 4.350 0.000 0.000 0.194 287 E C 2.236 178.837 176.600 0.002 0.000 0.994 287 E CA 1.786 58.185 56.400 -0.001 0.000 0.801 287 E CB -0.321 29.378 29.700 -0.002 0.000 0.743 287 E HN 0.539 nan 8.360 nan 0.000 0.453 288 M N -1.497 118.106 119.600 0.005 0.000 2.374 288 M HA -0.041 4.439 4.480 0.000 0.000 0.264 288 M C 1.666 177.971 176.300 0.008 0.000 1.067 288 M CA 1.126 56.429 55.300 0.007 0.000 1.103 288 M CB -0.078 32.527 32.600 0.009 0.000 1.402 288 M HN -0.050 nan 8.290 nan 0.000 0.444 289 V N 0.307 120.225 119.914 0.007 0.000 2.500 289 V HA -0.091 4.029 4.120 0.000 0.000 0.243 289 V C 2.542 178.638 176.094 0.003 0.000 1.039 289 V CA 0.947 63.251 62.300 0.007 0.000 1.053 289 V CB -0.014 31.812 31.823 0.005 0.000 0.695 289 V HN 0.348 nan 8.190 nan 0.000 0.463 290 V N -0.031 119.882 119.914 -0.001 0.000 2.407 290 V HA -0.233 3.887 4.120 0.000 0.000 0.248 290 V C 2.357 178.451 176.094 -0.000 0.000 1.055 290 V CA 1.770 64.067 62.300 -0.004 0.000 1.049 290 V CB -0.682 31.135 31.823 -0.009 0.000 0.662 290 V HN 0.504 nan 8.190 nan 0.000 0.455 291 K N -0.163 120.237 120.400 0.001 0.000 2.360 291 K HA -0.105 4.215 4.320 0.000 0.000 0.201 291 K C 1.661 178.264 176.600 0.005 0.000 1.046 291 K CA 0.594 56.882 56.287 0.002 0.000 0.945 291 K CB -0.019 32.481 32.500 0.001 0.000 0.750 291 K HN 0.280 nan 8.250 nan 0.000 0.464 292 K N -0.269 120.137 120.400 0.010 0.000 2.444 292 K HA 0.040 4.360 4.320 0.000 0.000 0.193 292 K C 0.689 177.304 176.600 0.026 0.000 1.024 292 K CA 0.460 56.757 56.287 0.016 0.000 1.077 292 K CB 0.548 33.060 32.500 0.021 0.000 0.833 292 K HN 0.318 nan 8.250 nan 0.000 0.517 293 G N 1.913 110.726 108.800 0.021 0.000 2.249 293 G HA2 -0.277 3.683 3.960 0.000 0.000 0.273 293 G HA3 -0.277 3.683 3.960 0.000 0.000 0.273 293 G C 0.780 175.713 174.900 0.055 0.000 1.036 293 G CA 0.586 45.703 45.100 0.029 0.000 0.824 293 G HN 0.271 nan 8.290 nan 0.000 0.504 294 V N -3.192 116.747 119.914 0.042 0.000 3.129 294 V HA 0.111 4.231 4.120 0.000 0.000 0.259 294 V C 2.382 178.472 176.094 -0.006 0.000 1.116 294 V CA 1.552 63.873 62.300 0.035 0.000 1.127 294 V CB -0.053 31.775 31.823 0.007 0.000 0.742 294 V HN 0.314 nan 8.190 nan 0.000 0.474 295 V N 1.068 120.978 119.914 -0.007 0.000 2.282 295 V HA -0.147 3.973 4.120 0.000 0.000 0.249 295 V C 0.556 176.637 176.094 -0.022 0.000 1.057 295 V CA 3.047 65.334 62.300 -0.021 0.000 1.032 295 V CB -1.819 29.993 31.823 -0.019 0.000 0.645 295 V HN 0.507 nan 8.190 nan 0.000 0.447 296 P HA -0.191 nan 4.420 nan 0.000 0.215 296 P C 1.768 179.056 177.300 -0.019 0.000 1.153 296 P CA 1.456 64.556 63.100 -0.001 0.000 0.853 296 P CB -0.010 31.704 31.700 0.024 0.000 0.788 297 Q N -0.248 119.532 119.800 -0.033 0.000 2.124 297 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 297 Q C 1.964 177.883 176.000 -0.135 0.000 0.977 297 Q CA 1.561 57.287 55.803 -0.129 0.000 0.850 297 Q CB -1.250 27.266 28.738 -0.370 0.000 0.901 297 Q HN 0.157 nan 8.270 nan 0.000 0.429 298 L N -0.847 120.309 121.223 -0.112 0.000 2.046 298 L HA -0.181 4.159 4.340 0.000 0.000 0.208 298 L C 2.298 179.113 176.870 -0.091 0.000 1.077 298 L CA 1.050 55.825 54.840 -0.110 0.000 0.747 298 L CB -0.617 41.388 42.059 -0.092 0.000 0.896 298 L HN 0.122 nan 8.230 nan 0.000 0.432 299 V N 0.172 120.048 119.914 -0.063 0.000 2.343 299 V HA -0.327 3.793 4.120 0.000 0.000 0.247 299 V C 2.589 178.648 176.094 -0.058 0.000 1.051 299 V CA 2.066 64.338 62.300 -0.047 0.000 1.036 299 V CB -0.581 31.226 31.823 -0.026 0.000 0.654 299 V HN 0.473 nan 8.190 nan 0.000 0.451 300 K N 0.073 120.437 120.400 -0.059 0.000 2.026 300 K HA -0.153 4.167 4.320 0.000 0.000 0.208 300 K C 2.106 178.660 176.600 -0.076 0.000 1.048 300 K CA 1.629 57.881 56.287 -0.059 0.000 0.929 300 K CB -0.239 32.229 32.500 -0.053 0.000 0.713 300 K HN 0.403 nan 8.250 nan 0.000 0.439 301 L N 1.040 122.205 121.223 -0.097 0.000 2.201 301 L HA -0.140 4.200 4.340 0.000 0.000 0.212 301 L C 2.339 179.141 176.870 -0.114 0.000 1.105 301 L CA 0.107 54.882 54.840 -0.109 0.000 0.775 301 L CB -0.317 41.662 42.059 -0.134 0.000 0.913 301 L HN 0.248 nan 8.230 nan 0.000 0.440 302 L N 0.145 121.300 121.223 -0.113 0.000 2.265 302 L HA -0.082 4.258 4.340 0.000 0.000 0.215 302 L C 1.894 178.685 176.870 -0.132 0.000 1.117 302 L CA 1.675 56.437 54.840 -0.130 0.000 0.782 302 L CB -0.663 41.325 42.059 -0.117 0.000 0.914 302 L HN 0.129 nan 8.230 nan 0.000 0.441 303 G N -1.702 107.036 108.800 -0.103 0.000 3.502 303 G HA2 0.422 4.382 3.960 0.000 0.000 0.267 303 G HA3 0.422 4.382 3.960 0.000 0.000 0.267 303 G C 0.578 175.433 174.900 -0.076 0.000 1.090 303 G CA 0.274 45.319 45.100 -0.093 0.000 0.795 303 G HN 0.537 nan 8.290 nan 0.000 0.535 304 A N 0.200 122.974 122.820 -0.078 0.000 2.429 304 A HA 0.454 4.774 4.320 0.000 0.000 0.242 304 A C 1.813 179.364 177.584 -0.056 0.000 1.088 304 A CA 0.878 52.877 52.037 -0.064 0.000 0.784 304 A CB 0.268 19.228 19.000 -0.067 0.000 1.038 304 A HN 0.503 nan 8.150 nan 0.000 0.501 305 T N -1.728 112.800 114.554 -0.043 0.000 3.081 305 T HA 0.157 4.507 4.350 0.000 0.000 0.255 305 T C 0.119 174.802 174.700 -0.029 0.000 1.113 305 T CA 0.787 62.866 62.100 -0.035 0.000 1.082 305 T CB -0.236 68.617 68.868 -0.026 0.000 0.939 305 T HN 0.613 nan 8.240 nan 0.000 0.506 306 E N 1.145 121.327 120.200 -0.030 0.000 2.146 306 E HA 0.444 4.794 4.350 0.000 0.000 0.282 306 E C 0.698 177.285 176.600 -0.022 0.000 0.989 306 E CA -0.459 55.929 56.400 -0.020 0.000 0.799 306 E CB 1.634 31.325 29.700 -0.014 0.000 1.088 306 E HN 0.009 nan 8.360 nan 0.000 0.397 307 L N 6.427 127.643 121.223 -0.011 0.000 2.043 307 L HA -0.121 4.219 4.340 0.000 0.000 0.212 307 L C -1.019 175.856 176.870 0.009 0.000 1.075 307 L CA 2.124 56.960 54.840 -0.006 0.000 0.752 307 L CB -0.707 41.358 42.059 0.010 0.000 0.891 307 L HN 0.529 nan 8.230 nan 0.000 0.432 308 P HA -0.136 nan 4.420 nan 0.000 0.221 308 P C 1.741 179.057 177.300 0.028 0.000 1.145 308 P CA 1.540 64.686 63.100 0.077 0.000 0.795 308 P CB 0.029 31.776 31.700 0.078 0.000 0.775 309 I N -2.240 118.309 120.570 -0.034 0.000 2.810 309 I HA -0.095 4.075 4.170 0.000 0.000 0.262 309 I C 2.078 178.102 176.117 -0.156 0.000 1.131 309 I CA 0.548 61.790 61.300 -0.096 0.000 1.453 309 I CB -0.507 37.447 38.000 -0.076 0.000 1.161 309 I HN -0.238 nan 8.210 nan 0.000 0.444 310 V N 1.033 120.875 119.914 -0.120 0.000 2.255 310 V HA -0.317 3.803 4.120 0.000 0.000 0.247 310 V C 2.543 178.534 176.094 -0.172 0.000 1.051 310 V CA 2.644 64.861 62.300 -0.138 0.000 1.018 310 V CB -1.169 30.590 31.823 -0.106 0.000 0.641 310 V HN 0.452 nan 8.190 nan 0.000 0.445 311 T N 1.092 115.561 114.554 -0.142 0.000 2.597 311 T HA -0.154 4.196 4.350 0.000 0.000 0.267 311 T C 0.118 174.591 174.700 -0.379 0.000 1.053 311 T CA 2.399 64.410 62.100 -0.149 0.000 1.165 311 T CB -1.503 67.370 68.868 0.008 0.000 0.863 311 T HN 0.537 nan 8.240 nan 0.000 0.427 312 P HA 0.099 nan 4.420 nan 0.000 0.221 312 P C 1.338 178.260 177.300 -0.629 0.000 1.150 312 P CA 1.202 63.566 63.100 -1.228 0.000 0.800 312 P CB -0.123 30.322 31.700 -2.091 0.000 0.787 313 A N 0.395 122.965 122.820 -0.417 0.000 1.898 313 A HA -0.141 4.179 4.320 0.000 0.000 0.216 313 A C 2.202 179.675 177.584 -0.185 0.000 1.181 313 A CA 1.409 53.286 52.037 -0.265 0.000 0.620 313 A CB -1.613 17.262 19.000 -0.208 0.000 0.819 313 A HN 0.189 nan 8.150 nan 0.000 0.442 314 L N -0.289 120.833 121.223 -0.169 0.000 2.093 314 L HA -0.071 4.269 4.340 0.000 0.000 0.208 314 L C 2.329 179.200 176.870 0.001 0.000 1.085 314 L CA 2.363 57.154 54.840 -0.082 0.000 0.755 314 L CB -0.628 41.377 42.059 -0.090 0.000 0.904 314 L HN 0.390 nan 8.230 nan 0.000 0.435 315 R N 0.261 120.727 120.500 -0.056 0.000 2.073 315 R HA -0.044 4.296 4.340 0.000 0.000 0.234 315 R C 2.172 178.510 176.300 0.063 0.000 1.134 315 R CA 1.768 57.901 56.100 0.054 0.000 0.952 315 R CB -0.966 29.292 30.300 -0.070 0.000 0.850 315 R HN 0.451 nan 8.270 nan 0.000 0.433 316 A N 0.860 123.638 122.820 -0.070 0.000 1.902 316 A HA -0.105 4.215 4.320 0.000 0.000 0.217 316 A C 2.130 179.700 177.584 -0.023 0.000 1.181 316 A CA 1.552 53.556 52.037 -0.054 0.000 0.623 316 A CB -0.549 18.378 19.000 -0.122 0.000 0.818 316 A HN 0.319 nan 8.150 nan 0.000 0.443 317 I N -0.031 120.521 120.570 -0.030 0.000 2.226 317 I HA -0.190 3.980 4.170 0.000 0.000 0.245 317 I C 2.699 178.787 176.117 -0.049 0.000 1.100 317 I CA 1.544 62.829 61.300 -0.025 0.000 1.374 317 I CB -1.933 36.072 38.000 0.008 0.000 1.057 317 I HN 0.364 nan 8.210 nan 0.000 0.413 318 G N 1.387 110.179 108.800 -0.013 0.000 2.446 318 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 318 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 318 G C 1.477 176.219 174.900 -0.263 0.000 1.168 318 G CA 0.660 45.626 45.100 -0.223 0.000 0.771 318 G HN 0.349 nan 8.290 nan 0.000 0.551 319 N N 0.753 119.498 118.700 0.074 0.000 2.120 319 N HA -0.047 4.693 4.740 0.000 0.000 0.188 319 N C 2.247 177.749 175.510 -0.013 0.000 1.024 319 N CA 0.835 53.948 53.050 0.105 0.000 0.852 319 N CB -0.267 38.309 38.487 0.148 0.000 1.003 319 N HN 0.366 nan 8.380 nan 0.000 0.424 320 I N 1.072 121.618 120.570 -0.039 0.000 2.361 320 I HA -0.175 3.995 4.170 0.000 0.000 0.251 320 I C 1.860 177.922 176.117 -0.091 0.000 1.133 320 I CA 0.825 62.093 61.300 -0.053 0.000 1.413 320 I CB -0.254 37.717 38.000 -0.048 0.000 1.073 320 I HN -0.006 nan 8.210 nan 0.000 0.424 321 V N -1.872 117.951 119.914 -0.152 0.000 3.592 321 V HA -0.020 4.100 4.120 0.000 0.000 0.272 321 V C 1.958 177.937 176.094 -0.192 0.000 1.228 321 V CA 1.321 63.510 62.300 -0.184 0.000 1.173 321 V CB -1.501 30.175 31.823 -0.246 0.000 0.873 321 V HN 0.524 nan 8.190 nan 0.000 0.476 322 T N -2.809 111.651 114.554 -0.157 0.000 3.057 322 T HA 0.326 4.676 4.350 0.000 0.000 0.254 322 T C 1.290 175.953 174.700 -0.062 0.000 1.094 322 T CA 0.605 62.639 62.100 -0.110 0.000 1.088 322 T CB -0.031 68.815 68.868 -0.036 0.000 0.934 322 T HN 0.671 nan 8.240 nan 0.000 0.497 323 G N 2.083 110.850 108.800 -0.056 0.000 2.514 323 G HA2 0.406 4.366 3.960 0.000 0.000 0.245 323 G HA3 0.406 4.366 3.960 0.000 0.000 0.245 323 G C 0.329 175.203 174.900 -0.043 0.000 1.488 323 G CA 0.041 45.119 45.100 -0.037 0.000 1.063 323 G HN 0.599 nan 8.290 nan 0.000 0.557 324 T N -2.012 112.521 114.554 -0.034 0.000 2.856 324 T HA 0.141 4.491 4.350 0.000 0.000 0.306 324 T C 0.700 175.374 174.700 -0.043 0.000 1.062 324 T CA 0.364 62.444 62.100 -0.034 0.000 1.083 324 T CB 0.909 69.761 68.868 -0.026 0.000 0.984 324 T HN 0.265 nan 8.240 nan 0.000 0.542 325 D N 0.824 121.199 120.400 -0.041 0.000 2.178 325 D HA -0.046 4.594 4.640 0.000 0.000 0.201 325 D C 1.962 178.235 176.300 -0.044 0.000 0.980 325 D CA 1.091 55.062 54.000 -0.047 0.000 0.842 325 D CB -0.192 40.583 40.800 -0.043 0.000 0.948 325 D HN 0.694 nan 8.370 nan 0.000 0.472 326 E N 0.590 120.769 120.200 -0.035 0.000 2.110 326 E HA -0.134 4.216 4.350 0.000 0.000 0.193 326 E C 2.108 178.688 176.600 -0.034 0.000 0.988 326 E CA 0.832 57.214 56.400 -0.031 0.000 0.804 326 E CB -0.171 29.514 29.700 -0.024 0.000 0.745 326 E HN 0.416 nan 8.360 nan 0.000 0.458 327 Q N -0.518 119.261 119.800 -0.036 0.000 2.083 327 Q HA -0.051 4.289 4.340 0.000 0.000 0.198 327 Q C 2.048 178.017 176.000 -0.051 0.000 0.969 327 Q CA 1.604 57.384 55.803 -0.038 0.000 0.838 327 Q CB -0.038 28.679 28.738 -0.036 0.000 0.900 327 Q HN 0.222 nan 8.270 nan 0.000 0.436 328 T N 0.773 115.289 114.554 -0.063 0.000 2.788 328 T HA -0.192 4.158 4.350 0.000 0.000 0.268 328 T C 1.728 176.383 174.700 -0.075 0.000 1.044 328 T CA 1.388 63.438 62.100 -0.083 0.000 1.139 328 T CB -0.150 68.660 68.868 -0.096 0.000 0.867 328 T HN 0.147 nan 8.240 nan 0.000 0.454 329 Q N 1.045 120.809 119.800 -0.059 0.000 2.226 329 Q HA -0.060 4.280 4.340 0.000 0.000 0.204 329 Q C 2.070 178.045 176.000 -0.042 0.000 0.975 329 Q CA 1.283 57.057 55.803 -0.049 0.000 0.866 329 Q CB -0.088 28.627 28.738 -0.039 0.000 0.915 329 Q HN 0.204 nan 8.270 nan 0.000 0.440 330 K N -0.701 119.676 120.400 -0.039 0.000 2.148 330 K HA -0.034 4.286 4.320 0.000 0.000 0.204 330 K C 1.997 178.576 176.600 -0.036 0.000 1.050 330 K CA 1.049 57.317 56.287 -0.031 0.000 0.942 330 K CB -0.475 32.009 32.500 -0.027 0.000 0.724 330 K HN 0.153 nan 8.250 nan 0.000 0.446 331 V N 1.725 121.609 119.914 -0.050 0.000 2.358 331 V HA -0.173 3.947 4.120 0.000 0.000 0.246 331 V C 2.314 178.370 176.094 -0.065 0.000 1.047 331 V CA 1.323 63.590 62.300 -0.056 0.000 1.035 331 V CB -0.355 31.424 31.823 -0.074 0.000 0.658 331 V HN 0.168 nan 8.190 nan 0.000 0.452 332 I N 0.152 120.675 120.570 -0.078 0.000 2.315 332 I HA -0.191 3.979 4.170 0.000 0.000 0.248 332 I C 2.160 178.253 176.117 -0.040 0.000 1.117 332 I CA 1.368 62.618 61.300 -0.083 0.000 1.404 332 I CB -0.483 37.472 38.000 -0.076 0.000 1.071 332 I HN 0.318 nan 8.210 nan 0.000 0.419 333 D N 1.332 121.716 120.400 -0.026 0.000 2.178 333 D HA -0.101 4.539 4.640 0.000 0.000 0.202 333 D C 2.178 178.475 176.300 -0.005 0.000 0.974 333 D CA 1.330 55.325 54.000 -0.008 0.000 0.841 333 D CB -0.067 40.727 40.800 -0.010 0.000 0.953 333 D HN 0.337 nan 8.370 nan 0.000 0.478 334 A N 0.053 122.864 122.820 -0.014 0.000 2.209 334 A HA 0.287 4.607 4.320 0.000 0.000 0.212 334 A C 1.774 179.353 177.584 -0.008 0.000 1.158 334 A CA 1.324 53.355 52.037 -0.010 0.000 0.742 334 A CB -0.282 18.709 19.000 -0.015 0.000 0.790 334 A HN 0.287 nan 8.150 nan 0.000 0.472 335 G N -2.381 106.411 108.800 -0.014 0.000 2.130 335 G HA2 0.014 3.974 3.960 0.000 0.000 0.216 335 G HA3 0.014 3.974 3.960 0.000 0.000 0.216 335 G C 1.030 175.907 174.900 -0.038 0.000 0.999 335 G CA 0.866 45.958 45.100 -0.014 0.000 0.686 335 G HN 1.313 nan 8.290 nan 0.000 0.515 336 A N -0.044 122.752 122.820 -0.041 0.000 1.908 336 A HA 0.146 4.466 4.320 0.000 0.000 0.218 336 A C 2.467 180.092 177.584 0.068 0.000 1.181 336 A CA 1.859 53.914 52.037 0.030 0.000 0.627 336 A CB -0.336 18.692 19.000 0.046 0.000 0.818 336 A HN 0.911 nan 8.150 nan 0.000 0.445 337 L N -0.844 120.259 121.223 -0.199 0.000 2.127 337 L HA -0.236 4.104 4.340 0.000 0.000 0.211 337 L C 2.944 179.697 176.870 -0.196 0.000 1.089 337 L CA 1.014 55.639 54.840 -0.359 0.000 0.757 337 L CB -0.575 40.971 42.059 -0.854 0.000 0.899 337 L HN 0.462 nan 8.230 nan 0.000 0.434 338 A N -0.574 122.147 122.820 -0.165 0.000 2.121 338 A HA -0.060 4.260 4.320 0.000 0.000 0.218 338 A C 2.136 179.729 177.584 0.016 0.000 1.154 338 A CA 1.170 53.216 52.037 0.016 0.000 0.679 338 A CB -0.417 18.626 19.000 0.071 0.000 0.795 338 A HN 0.270 nan 8.150 nan 0.000 0.458 339 V N -1.914 118.020 119.914 0.032 0.000 3.235 339 V HA -0.040 4.080 4.120 0.000 0.000 0.259 339 V C 1.833 177.828 176.094 -0.165 0.000 1.133 339 V CA 0.736 62.998 62.300 -0.064 0.000 1.128 339 V CB -0.952 30.805 31.823 -0.110 0.000 0.757 339 V HN 0.516 nan 8.190 nan 0.000 0.469 340 F N 0.521 120.358 119.950 -0.189 0.000 2.365 340 F HA 0.024 4.551 4.527 0.000 0.000 0.300 340 F C -0.135 175.430 175.800 -0.393 0.000 1.090 340 F CA 0.614 58.479 58.000 -0.225 0.000 1.408 340 F CB -1.807 37.084 39.000 -0.181 0.000 1.060 340 F HN 0.310 nan 8.300 nan 0.000 0.534 341 P HA -0.163 nan 4.420 nan 0.000 0.216 341 P C 1.888 178.839 177.300 -0.581 0.000 1.153 341 P CA 2.270 64.761 63.100 -1.016 0.000 0.848 341 P CB -0.107 31.192 31.700 -0.668 0.000 0.787 342 S N -1.169 114.353 115.700 -0.296 0.000 2.414 342 S HA -0.042 4.428 4.470 0.000 0.000 0.227 342 S C 1.950 176.443 174.600 -0.178 0.000 1.022 342 S CA 0.756 58.853 58.200 -0.171 0.000 0.958 342 S CB -1.535 61.593 63.200 -0.118 0.000 0.797 342 S HN 0.021 nan 8.310 nan 0.000 0.493 343 L N 0.607 121.670 121.223 -0.268 0.000 2.083 343 L HA 0.057 4.397 4.340 0.000 0.000 0.209 343 L C 2.322 179.091 176.870 -0.168 0.000 1.083 343 L CA 1.089 55.758 54.840 -0.286 0.000 0.752 343 L CB -0.556 41.157 42.059 -0.575 0.000 0.899 343 L HN 0.315 nan 8.230 nan 0.000 0.433 344 L N -0.560 120.580 121.223 -0.138 0.000 2.552 344 L HA -0.056 4.284 4.340 0.000 0.000 0.227 344 L C 1.627 178.528 176.870 0.051 0.000 1.146 344 L CA 0.977 55.815 54.840 -0.003 0.000 0.858 344 L CB -0.453 41.639 42.059 0.055 0.000 0.969 344 L HN 0.397 nan 8.230 nan 0.000 0.451 345 T N -5.877 108.687 114.554 0.016 0.000 3.231 345 T HA 0.123 4.473 4.350 0.000 0.000 0.292 345 T C 0.388 175.101 174.700 0.022 0.000 1.001 345 T CA -0.539 61.600 62.100 0.065 0.000 0.920 345 T CB -0.424 68.522 68.868 0.130 0.000 1.140 345 T HN 0.041 nan 8.240 nan 0.000 0.525 346 N N 2.841 121.534 118.700 -0.013 0.000 2.458 346 N HA 0.186 4.926 4.740 0.000 0.000 0.258 346 N C -1.603 173.908 175.510 0.001 0.000 1.219 346 N CA -1.309 51.728 53.050 -0.021 0.000 0.902 346 N CB 1.043 39.502 38.487 -0.047 0.000 1.076 346 N HN -0.046 nan 8.380 nan 0.000 0.455 347 P HA -0.074 nan 4.420 nan 0.000 0.220 347 P C -0.547 176.760 177.300 0.013 0.000 1.148 347 P CA 1.089 64.196 63.100 0.012 0.000 0.803 347 P CB 0.260 31.966 31.700 0.010 0.000 0.782 348 K N 0.017 120.421 120.400 0.006 0.000 2.336 348 K HA 0.075 4.395 4.320 0.000 0.000 0.290 348 K C 1.459 178.069 176.600 0.016 0.000 1.067 348 K CA 0.324 56.618 56.287 0.011 0.000 0.962 348 K CB -0.846 31.658 32.500 0.006 0.000 1.008 348 K HN -0.129 nan 8.250 nan 0.000 0.467 349 T N 2.380 116.948 114.554 0.024 0.000 2.680 349 T HA -0.283 4.067 4.350 0.000 0.000 0.268 349 T C 1.650 176.368 174.700 0.030 0.000 1.033 349 T CA 2.357 64.475 62.100 0.030 0.000 1.152 349 T CB -0.175 68.713 68.868 0.035 0.000 0.859 349 T HN 0.719 nan 8.240 nan 0.000 0.452 350 N N 0.047 118.764 118.700 0.029 0.000 2.166 350 N HA -0.040 4.701 4.740 0.000 0.000 0.186 350 N C 1.823 177.350 175.510 0.028 0.000 1.019 350 N CA 1.242 54.310 53.050 0.030 0.000 0.856 350 N CB -0.296 38.213 38.487 0.037 0.000 0.993 350 N HN 0.336 nan 8.380 nan 0.000 0.426 351 I N 0.874 121.453 120.570 0.015 0.000 2.252 351 I HA -0.202 3.968 4.170 0.000 0.000 0.245 351 I C 2.315 178.432 176.117 -0.000 0.000 1.102 351 I CA 1.156 62.452 61.300 -0.007 0.000 1.385 351 I CB -1.421 36.557 38.000 -0.037 0.000 1.064 351 I HN 0.456 nan 8.210 nan 0.000 0.414 352 Q N 0.961 120.767 119.800 0.010 0.000 2.096 352 Q HA -0.243 4.097 4.340 0.000 0.000 0.204 352 Q C 2.363 178.402 176.000 0.066 0.000 0.982 352 Q CA 1.747 57.566 55.803 0.028 0.000 0.850 352 Q CB -0.008 28.749 28.738 0.033 0.000 0.901 352 Q HN 0.268 nan 8.270 nan 0.000 0.422 353 K N 0.288 120.727 120.400 0.064 0.000 2.097 353 K HA -0.166 4.154 4.320 0.000 0.000 0.205 353 K C 1.563 178.250 176.600 0.145 0.000 1.050 353 K CA 1.456 57.792 56.287 0.083 0.000 0.938 353 K CB 0.082 32.610 32.500 0.047 0.000 0.718 353 K HN 0.340 nan 8.250 nan 0.000 0.442 354 E N -0.373 119.913 120.200 0.143 0.000 2.285 354 E HA -0.063 4.287 4.350 0.000 0.000 0.194 354 E C 1.763 178.571 176.600 0.345 0.000 0.997 354 E CA 0.511 57.076 56.400 0.276 0.000 0.845 354 E CB 0.169 29.985 29.700 0.193 0.000 0.782 354 E HN 0.326 nan 8.360 nan 0.000 0.491 355 A N 1.000 123.940 122.820 0.199 0.000 1.897 355 A HA -0.099 4.221 4.320 0.000 0.000 0.215 355 A C 2.338 180.122 177.584 0.334 0.000 1.181 355 A CA 1.382 53.548 52.037 0.216 0.000 0.620 355 A CB -0.552 18.443 19.000 -0.008 0.000 0.821 355 A HN 0.110 nan 8.150 nan 0.000 0.443 356 T N -1.401 113.301 114.554 0.246 0.000 2.777 356 T HA -0.166 4.184 4.350 0.000 0.000 0.266 356 T C 1.494 176.336 174.700 0.237 0.000 1.040 356 T CA 1.379 63.608 62.100 0.216 0.000 1.141 356 T CB -0.344 68.625 68.868 0.168 0.000 0.868 356 T HN 0.758 nan 8.240 nan 0.000 0.444 357 W N 2.367 123.714 121.300 0.079 0.000 2.335 357 W HA -0.200 4.460 4.660 0.000 0.000 0.311 357 W C 2.124 178.671 176.519 0.047 0.000 1.213 357 W CA 1.687 59.062 57.345 0.049 0.000 1.274 357 W CB -1.082 28.394 29.460 0.027 0.000 1.148 357 W HN 0.096 nan 8.180 nan 0.000 0.498 358 T N 1.532 116.023 114.554 -0.104 0.000 2.720 358 T HA -0.254 4.096 4.350 0.000 0.000 0.268 358 T C 1.860 176.398 174.700 -0.269 0.000 1.037 358 T CA 2.114 64.001 62.100 -0.355 0.000 1.144 358 T CB -0.417 68.462 68.868 0.017 0.000 0.864 358 T HN 0.065 nan 8.240 nan 0.000 0.444 359 M N 1.790 121.326 119.600 -0.106 0.000 2.175 359 M HA -0.036 4.444 4.480 0.000 0.000 0.264 359 M C 2.727 178.977 176.300 -0.083 0.000 1.063 359 M CA 1.388 56.605 55.300 -0.139 0.000 1.119 359 M CB -1.452 31.134 32.600 -0.024 0.000 1.377 359 M HN 0.423 nan 8.290 nan 0.000 0.415 360 S N 0.214 115.892 115.700 -0.038 0.000 2.423 360 S HA -0.069 4.401 4.470 0.000 0.000 0.231 360 S C 1.488 176.052 174.600 -0.060 0.000 1.014 360 S CA 0.986 59.198 58.200 0.020 0.000 0.965 360 S CB -0.457 62.816 63.200 0.122 0.000 0.785 360 S HN 0.456 nan 8.310 nan 0.000 0.495 361 N N 0.937 119.514 118.700 -0.204 0.000 2.412 361 N HA 0.297 5.037 4.740 0.000 0.000 0.184 361 N C 1.329 176.730 175.510 -0.182 0.000 1.101 361 N CA 0.481 53.396 53.050 -0.226 0.000 0.881 361 N CB -0.005 38.249 38.487 -0.389 0.000 0.969 361 N HN 0.507 nan 8.380 nan 0.000 0.459 362 I N 0.395 120.860 120.570 -0.175 0.000 2.731 362 I HA -0.102 4.068 4.170 0.000 0.000 0.260 362 I C 1.956 178.017 176.117 -0.093 0.000 1.138 362 I CA 0.870 62.075 61.300 -0.158 0.000 1.461 362 I CB -0.120 37.748 38.000 -0.220 0.000 1.128 362 I HN 0.072 nan 8.210 nan 0.000 0.438 363 T N -1.049 113.480 114.554 -0.043 0.000 3.118 363 T HA 0.107 4.457 4.350 0.000 0.000 0.260 363 T C 1.494 176.194 174.700 0.001 0.000 1.139 363 T CA 0.695 62.805 62.100 0.017 0.000 1.085 363 T CB -0.059 68.898 68.868 0.150 0.000 0.934 363 T HN 0.261 nan 8.240 nan 0.000 0.518 364 A N 0.685 123.495 122.820 -0.017 0.000 2.275 364 A HA 0.658 4.978 4.320 0.000 0.000 0.212 364 A C 1.428 178.991 177.584 -0.036 0.000 1.201 364 A CA 0.044 52.075 52.037 -0.010 0.000 0.843 364 A CB -0.639 18.355 19.000 -0.011 0.000 0.873 364 A HN 0.610 nan 8.150 nan 0.000 0.492 365 G N -0.217 108.549 108.800 -0.057 0.000 2.531 365 G HA2 0.426 4.386 3.960 0.000 0.000 0.253 365 G HA3 0.426 4.386 3.960 0.000 0.000 0.253 365 G C 0.170 175.032 174.900 -0.063 0.000 1.439 365 G CA -0.922 44.141 45.100 -0.063 0.000 1.056 365 G HN 0.515 nan 8.290 nan 0.000 0.555 366 R N -0.482 119.981 120.500 -0.063 0.000 2.707 366 R HA 0.140 4.480 4.340 0.000 0.000 0.270 366 R C 1.566 177.817 176.300 -0.081 0.000 1.083 366 R CA -0.274 55.789 56.100 -0.062 0.000 1.182 366 R CB 0.576 30.845 30.300 -0.052 0.000 1.084 366 R HN 0.572 nan 8.270 nan 0.000 0.528 367 Q N 1.068 120.819 119.800 -0.081 0.000 2.170 367 Q HA -0.188 4.152 4.340 0.000 0.000 0.203 367 Q C 1.282 177.226 176.000 -0.093 0.000 0.976 367 Q CA 1.743 57.485 55.803 -0.102 0.000 0.858 367 Q CB -0.052 28.635 28.738 -0.085 0.000 0.907 367 Q HN 0.688 nan 8.270 nan 0.000 0.433 368 D N 0.009 120.368 120.400 -0.069 0.000 2.317 368 D HA -0.165 4.475 4.640 0.000 0.000 0.211 368 D C 1.369 177.637 176.300 -0.053 0.000 0.966 368 D CA 0.731 54.697 54.000 -0.057 0.000 0.876 368 D CB 0.020 40.793 40.800 -0.044 0.000 0.927 368 D HN 0.346 nan 8.370 nan 0.000 0.519 369 Q N -0.051 119.711 119.800 -0.063 0.000 2.297 369 Q HA 0.184 4.524 4.340 0.000 0.000 0.203 369 Q C 2.483 178.445 176.000 -0.062 0.000 0.931 369 Q CA 0.156 55.924 55.803 -0.059 0.000 0.885 369 Q CB 0.458 29.154 28.738 -0.069 0.000 0.991 369 Q HN 0.298 nan 8.270 nan 0.000 0.498 370 I N 0.760 121.271 120.570 -0.098 0.000 2.394 370 I HA -0.246 3.924 4.170 0.000 0.000 0.251 370 I C 2.307 178.379 176.117 -0.075 0.000 1.136 370 I CA 0.871 62.090 61.300 -0.135 0.000 1.425 370 I CB 0.038 37.850 38.000 -0.314 0.000 1.079 370 I HN 0.202 nan 8.210 nan 0.000 0.425 371 Q N 0.636 120.393 119.800 -0.072 0.000 2.230 371 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 371 Q C 2.128 178.124 176.000 -0.006 0.000 0.963 371 Q CA 1.416 57.190 55.803 -0.048 0.000 0.866 371 Q CB -0.002 28.699 28.738 -0.062 0.000 0.931 371 Q HN 0.422 nan 8.270 nan 0.000 0.452 372 Q N -0.870 118.941 119.800 0.018 0.000 2.123 372 Q HA -0.051 4.289 4.340 0.000 0.000 0.199 372 Q C 2.085 178.200 176.000 0.192 0.000 0.966 372 Q CA 1.266 57.128 55.803 0.098 0.000 0.845 372 Q CB -0.050 28.739 28.738 0.084 0.000 0.907 372 Q HN 0.300 nan 8.270 nan 0.000 0.439 373 V N 0.575 120.555 119.914 0.109 0.000 2.295 373 V HA -0.209 3.911 4.120 0.000 0.000 0.246 373 V C 2.478 178.691 176.094 0.198 0.000 1.049 373 V CA 1.357 63.736 62.300 0.132 0.000 1.024 373 V CB -0.593 31.307 31.823 0.128 0.000 0.648 373 V HN 0.091 nan 8.190 nan 0.000 0.447 374 V N 0.711 120.731 119.914 0.176 0.000 2.295 374 V HA -0.303 3.817 4.120 0.000 0.000 0.246 374 V C 2.079 178.207 176.094 0.057 0.000 1.049 374 V CA 2.558 64.949 62.300 0.152 0.000 1.024 374 V CB -1.051 30.784 31.823 0.021 0.000 0.648 374 V HN 0.650 nan 8.190 nan 0.000 0.447 375 N N -0.636 118.064 118.700 -0.000 0.000 2.223 375 N HA -0.182 4.558 4.740 0.000 0.000 0.185 375 N C 1.514 176.958 175.510 -0.111 0.000 1.016 375 N CA 1.179 54.174 53.050 -0.091 0.000 0.863 375 N CB -0.197 38.191 38.487 -0.165 0.000 0.983 375 N HN 0.605 nan 8.380 nan 0.000 0.429 376 H N -0.576 118.523 119.070 0.048 0.000 2.543 376 H HA 0.181 4.737 4.556 0.000 0.000 0.269 376 H C 1.134 176.540 175.328 0.131 0.000 1.005 376 H CA 0.424 56.514 56.048 0.069 0.000 1.146 376 H CB 0.034 29.824 29.762 0.047 0.000 1.353 376 H HN 0.263 nan 8.280 nan 0.000 0.595 377 G N 0.820 109.756 108.800 0.226 0.000 2.198 377 G HA2 -0.300 3.660 3.960 0.000 0.000 0.260 377 G HA3 -0.300 3.660 3.960 0.000 0.000 0.260 377 G C 0.815 175.941 174.900 0.377 0.000 1.025 377 G CA 0.528 45.789 45.100 0.269 0.000 0.769 377 G HN 0.469 nan 8.290 nan 0.000 0.507 378 L N -0.553 120.879 121.223 0.348 0.000 2.554 378 L HA 0.079 4.419 4.340 0.000 0.000 0.226 378 L C 2.651 179.700 176.870 0.298 0.000 1.137 378 L CA 0.200 55.265 54.840 0.376 0.000 0.863 378 L CB -0.146 42.041 42.059 0.214 0.000 0.985 378 L HN 0.240 nan 8.230 nan 0.000 0.451 379 V N 0.747 120.802 119.914 0.234 0.000 2.358 379 V HA -0.126 3.994 4.120 0.000 0.000 0.246 379 V C -0.116 175.974 176.094 -0.006 0.000 1.047 379 V CA 1.824 64.173 62.300 0.081 0.000 1.035 379 V CB -1.214 30.632 31.823 0.038 0.000 0.658 379 V HN 0.344 nan 8.190 nan 0.000 0.452 380 P HA -0.110 nan 4.420 nan 0.000 0.218 380 P C 1.524 178.722 177.300 -0.169 0.000 1.149 380 P CA 1.411 64.418 63.100 -0.154 0.000 0.817 380 P CB -0.097 31.468 31.700 -0.226 0.000 0.785 381 F N -1.115 118.848 119.950 0.021 0.000 2.186 381 F HA -0.094 4.433 4.527 0.000 0.000 0.299 381 F C 2.210 178.021 175.800 0.019 0.000 1.090 381 F CA 1.175 59.194 58.000 0.032 0.000 1.307 381 F CB -1.193 37.846 39.000 0.065 0.000 1.019 381 F HN -0.189 nan 8.300 nan 0.000 0.489 382 L N -1.002 120.325 121.223 0.174 0.000 2.056 382 L HA -0.188 4.152 4.340 0.000 0.000 0.207 382 L C 2.363 179.240 176.870 0.011 0.000 1.078 382 L CA 0.614 55.503 54.840 0.081 0.000 0.749 382 L CB -0.769 41.307 42.059 0.027 0.000 0.901 382 L HN -0.051 nan 8.230 nan 0.000 0.433 383 V N 0.270 120.161 119.914 -0.038 0.000 2.332 383 V HA -0.243 3.877 4.120 0.000 0.000 0.248 383 V C 2.601 178.669 176.094 -0.043 0.000 1.055 383 V CA 2.072 64.329 62.300 -0.072 0.000 1.038 383 V CB -1.241 30.514 31.823 -0.114 0.000 0.651 383 V HN 0.582 nan 8.190 nan 0.000 0.450 384 G N -0.332 108.451 108.800 -0.029 0.000 2.433 384 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 384 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 384 G C 1.693 176.608 174.900 0.024 0.000 1.186 384 G CA 1.185 46.278 45.100 -0.011 0.000 0.779 384 G HN 0.362 nan 8.290 nan 0.000 0.543 385 V N 0.746 120.695 119.914 0.058 0.000 2.332 385 V HA -0.159 3.961 4.120 0.000 0.000 0.248 385 V C 2.733 178.842 176.094 0.025 0.000 1.055 385 V CA 1.695 64.029 62.300 0.056 0.000 1.038 385 V CB -0.475 31.395 31.823 0.079 0.000 0.651 385 V HN 0.322 nan 8.190 nan 0.000 0.450 386 L N -0.292 120.936 121.223 0.008 0.000 2.265 386 L HA -0.105 4.235 4.340 0.000 0.000 0.215 386 L C 2.363 179.228 176.870 -0.009 0.000 1.117 386 L CA 1.865 56.697 54.840 -0.013 0.000 0.782 386 L CB -0.369 41.670 42.059 -0.032 0.000 0.914 386 L HN 0.283 nan 8.230 nan 0.000 0.441 387 S N -1.294 114.403 115.700 -0.005 0.000 2.371 387 S HA -0.005 4.465 4.470 0.000 0.000 0.221 387 S C 0.848 175.456 174.600 0.012 0.000 1.036 387 S CA 0.608 58.806 58.200 -0.003 0.000 0.965 387 S CB 0.053 63.245 63.200 -0.014 0.000 0.845 387 S HN 0.321 nan 8.310 nan 0.000 0.475 388 K N 0.432 120.843 120.400 0.019 0.000 2.601 388 K HA 0.627 4.947 4.320 0.000 0.000 0.249 388 K C -1.583 175.040 176.600 0.037 0.000 0.966 388 K CA -0.306 55.999 56.287 0.030 0.000 0.827 388 K CB 1.538 34.053 32.500 0.025 0.000 1.178 388 K HN 0.250 nan 8.250 nan 0.000 0.437 389 A N 3.065 125.912 122.820 0.045 0.000 2.489 389 A HA 0.203 4.523 4.320 0.000 0.000 0.293 389 A C -1.746 175.874 177.584 0.061 0.000 1.004 389 A CA -0.894 51.171 52.037 0.047 0.000 0.626 389 A CB 0.608 19.631 19.000 0.039 0.000 1.345 389 A HN 0.841 nan 8.150 nan 0.000 0.447 390 D N -0.488 119.950 120.400 0.063 0.000 2.478 390 D HA 0.204 4.844 4.640 0.000 0.000 0.234 390 D C 0.958 177.320 176.300 0.102 0.000 1.154 390 D CA 0.545 54.600 54.000 0.091 0.000 0.874 390 D CB 0.146 40.991 40.800 0.076 0.000 1.198 390 D HN 0.538 nan 8.370 nan 0.000 0.455 391 F N 2.810 122.783 119.950 0.037 0.000 2.154 391 F HA -0.153 4.374 4.527 0.000 0.000 0.301 391 F C 1.843 177.676 175.800 0.055 0.000 1.087 391 F CA 1.508 59.533 58.000 0.041 0.000 1.274 391 F CB 0.058 39.080 39.000 0.036 0.000 1.009 391 F HN 0.391 nan 8.300 nan 0.000 0.485 392 K N -0.756 119.639 120.400 -0.007 0.000 2.148 392 K HA -0.097 4.223 4.320 0.000 0.000 0.204 392 K C 1.942 178.491 176.600 -0.086 0.000 1.050 392 K CA 1.701 57.951 56.287 -0.062 0.000 0.942 392 K CB -0.329 32.204 32.500 0.054 0.000 0.724 392 K HN 0.239 nan 8.250 nan 0.000 0.446 393 T N 1.254 115.782 114.554 -0.044 0.000 2.812 393 T HA -0.125 4.225 4.350 0.000 0.000 0.264 393 T C 1.745 176.418 174.700 -0.046 0.000 1.042 393 T CA 1.034 63.130 62.100 -0.005 0.000 1.140 393 T CB -0.099 68.785 68.868 0.026 0.000 0.870 393 T HN 0.261 nan 8.240 nan 0.000 0.445 394 Q N 0.741 120.467 119.800 -0.123 0.000 2.135 394 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 394 Q C 2.345 178.218 176.000 -0.212 0.000 0.981 394 Q CA 1.273 56.985 55.803 -0.152 0.000 0.856 394 Q CB -0.185 28.448 28.738 -0.175 0.000 0.902 394 Q HN 0.438 nan 8.270 nan 0.000 0.425 395 K N 0.614 120.791 120.400 -0.371 0.000 2.057 395 K HA -0.184 4.136 4.320 0.000 0.000 0.207 395 K C 1.860 178.497 176.600 0.062 0.000 1.049 395 K CA 1.172 57.303 56.287 -0.259 0.000 0.931 395 K CB 0.211 32.522 32.500 -0.316 0.000 0.714 395 K HN 0.068 nan 8.250 nan 0.000 0.440 396 E N 0.278 120.546 120.200 0.113 0.000 2.106 396 E HA -0.154 4.196 4.350 0.000 0.000 0.192 396 E C 1.944 178.674 176.600 0.216 0.000 0.984 396 E CA 1.096 57.651 56.400 0.257 0.000 0.806 396 E CB -0.250 29.584 29.700 0.222 0.000 0.750 396 E HN 0.427 nan 8.360 nan 0.000 0.458 397 A N 1.651 124.531 122.820 0.099 0.000 1.908 397 A HA -0.142 4.178 4.320 0.000 0.000 0.218 397 A C 2.448 180.056 177.584 0.038 0.000 1.181 397 A CA 2.205 54.280 52.037 0.064 0.000 0.627 397 A CB -0.626 18.385 19.000 0.018 0.000 0.818 397 A HN 0.275 nan 8.150 nan 0.000 0.445 398 A N -1.482 121.329 122.820 -0.014 0.000 1.902 398 A HA -0.177 4.143 4.320 0.000 0.000 0.217 398 A C 2.002 179.536 177.584 -0.084 0.000 1.181 398 A CA 1.413 53.391 52.037 -0.098 0.000 0.623 398 A CB -0.949 17.932 19.000 -0.198 0.000 0.818 398 A HN 0.749 nan 8.150 nan 0.000 0.443 399 W N -0.337 120.971 121.300 0.014 0.000 2.358 399 W HA -0.094 4.566 4.660 0.000 0.000 0.303 399 W C 2.793 179.335 176.519 0.038 0.000 1.208 399 W CA 1.533 58.899 57.345 0.036 0.000 1.274 399 W CB -0.140 29.355 29.460 0.059 0.000 1.138 399 W HN 0.403 nan 8.180 nan 0.000 0.515 400 A N -0.083 122.897 122.820 0.266 0.000 1.902 400 A HA -0.192 4.129 4.320 0.000 0.000 0.217 400 A C 1.843 179.511 177.584 0.140 0.000 1.181 400 A CA 1.635 53.778 52.037 0.176 0.000 0.623 400 A CB -0.740 18.335 19.000 0.125 0.000 0.818 400 A HN 0.181 nan 8.150 nan 0.000 0.443 401 I N -0.148 120.461 120.570 0.066 0.000 2.353 401 I HA -0.122 4.048 4.170 0.000 0.000 0.248 401 I C 2.338 178.488 176.117 0.056 0.000 1.119 401 I CA 1.710 63.011 61.300 0.001 0.000 1.417 401 I CB -1.852 36.102 38.000 -0.076 0.000 1.078 401 I HN 0.227 nan 8.210 nan 0.000 0.421 402 T N 1.432 116.013 114.554 0.044 0.000 2.867 402 T HA -0.078 4.272 4.350 0.000 0.000 0.268 402 T C 1.715 176.488 174.700 0.122 0.000 1.057 402 T CA 1.050 63.173 62.100 0.038 0.000 1.136 402 T CB -0.109 68.720 68.868 -0.065 0.000 0.874 402 T HN 0.275 nan 8.240 nan 0.000 0.466 403 N N 0.477 119.286 118.700 0.182 0.000 2.171 403 N HA -0.034 4.706 4.740 0.000 0.000 0.184 403 N C 1.547 177.152 175.510 0.158 0.000 1.021 403 N CA 0.825 53.978 53.050 0.172 0.000 0.854 403 N CB -0.549 38.041 38.487 0.170 0.000 0.994 403 N HN 0.407 nan 8.380 nan 0.000 0.426 404 Y N 2.394 122.717 120.300 0.037 0.000 2.097 404 Y HA -0.241 4.309 4.550 0.000 0.000 0.282 404 Y C 2.607 178.515 175.900 0.013 0.000 1.152 404 Y CA 2.355 60.468 58.100 0.021 0.000 1.136 404 Y CB -0.934 37.538 38.460 0.020 0.000 0.975 404 Y HN 0.185 nan 8.280 nan 0.000 0.498 405 T N -2.694 112.068 114.554 0.347 0.000 2.833 405 T HA -0.211 4.139 4.350 0.000 0.000 0.269 405 T C 2.178 176.938 174.700 0.100 0.000 1.054 405 T CA 1.517 63.742 62.100 0.208 0.000 1.135 405 T CB -0.987 67.945 68.868 0.107 0.000 0.869 405 T HN 0.405 nan 8.240 nan 0.000 0.466 406 S N 1.271 117.023 115.700 0.086 0.000 2.371 406 S HA 0.182 4.652 4.470 0.000 0.000 0.224 406 S C 2.148 176.763 174.600 0.024 0.000 1.029 406 S CA 0.955 59.188 58.200 0.056 0.000 0.978 406 S CB -0.849 62.393 63.200 0.070 0.000 0.833 406 S HN 0.700 nan 8.310 nan 0.000 0.466 407 G N 0.037 108.837 108.800 -0.000 0.000 3.159 407 G HA2 0.513 4.473 3.960 0.000 0.000 0.232 407 G HA3 0.513 4.473 3.960 0.000 0.000 0.232 407 G C 0.430 175.275 174.900 -0.092 0.000 1.116 407 G CA 0.147 45.224 45.100 -0.038 0.000 0.767 407 G HN 0.669 nan 8.290 nan 0.000 0.547 408 G N 0.366 109.088 108.800 -0.129 0.000 2.504 408 G HA2 0.458 4.418 3.960 0.000 0.000 0.288 408 G HA3 0.458 4.418 3.960 0.000 0.000 0.288 408 G C 0.563 175.403 174.900 -0.100 0.000 1.182 408 G CA 0.295 45.275 45.100 -0.201 0.000 0.894 408 G HN 0.315 nan 8.290 nan 0.000 0.521 409 T N -2.122 112.374 114.554 -0.097 0.000 2.667 409 T HA 0.120 4.470 4.350 0.000 0.000 0.305 409 T C 1.581 176.267 174.700 -0.022 0.000 1.022 409 T CA -0.071 61.999 62.100 -0.050 0.000 0.995 409 T CB 0.916 69.755 68.868 -0.049 0.000 1.026 409 T HN 0.174 nan 8.240 nan 0.000 0.527 410 V N 0.728 120.635 119.914 -0.011 0.000 2.358 410 V HA -0.093 4.027 4.120 0.000 0.000 0.246 410 V C 2.852 178.947 176.094 0.001 0.000 1.047 410 V CA 2.143 64.442 62.300 -0.003 0.000 1.035 410 V CB -1.130 30.691 31.823 -0.004 0.000 0.658 410 V HN 1.048 nan 8.190 nan 0.000 0.452 411 E N 0.165 120.365 120.200 -0.000 0.000 2.085 411 E HA -0.306 4.044 4.350 0.000 0.000 0.194 411 E C 2.232 178.864 176.600 0.052 0.000 0.994 411 E CA 1.769 58.175 56.400 0.009 0.000 0.801 411 E CB -0.090 29.607 29.700 -0.005 0.000 0.743 411 E HN 0.693 nan 8.360 nan 0.000 0.453 412 Q N 0.069 119.902 119.800 0.056 0.000 2.119 412 Q HA -0.107 4.233 4.340 0.000 0.000 0.201 412 Q C 2.334 178.524 176.000 0.317 0.000 0.972 412 Q CA 1.448 57.347 55.803 0.159 0.000 0.847 412 Q CB -0.019 28.699 28.738 -0.033 0.000 0.903 412 Q HN 0.421 nan 8.270 nan 0.000 0.433 413 I N -0.226 120.458 120.570 0.190 0.000 2.315 413 I HA -0.230 3.940 4.170 0.000 0.000 0.248 413 I C 2.093 178.221 176.117 0.019 0.000 1.117 413 I CA 0.667 62.067 61.300 0.167 0.000 1.404 413 I CB -0.204 37.842 38.000 0.076 0.000 1.071 413 I HN 0.037 nan 8.210 nan 0.000 0.419 414 V N 0.447 120.337 119.914 -0.040 0.000 2.295 414 V HA -0.326 3.794 4.120 0.000 0.000 0.246 414 V C 2.366 178.267 176.094 -0.323 0.000 1.049 414 V CA 2.011 64.177 62.300 -0.223 0.000 1.024 414 V CB -0.849 30.842 31.823 -0.220 0.000 0.648 414 V HN 0.425 nan 8.190 nan 0.000 0.447 415 Y N 0.615 120.797 120.300 -0.197 0.000 2.207 415 Y HA -0.257 4.293 4.550 -0.000 0.000 0.287 415 Y C 2.176 178.037 175.900 -0.066 0.000 1.156 415 Y CA 1.741 59.787 58.100 -0.091 0.000 1.182 415 Y CB -0.365 38.111 38.460 0.027 0.000 0.979 415 Y HN 0.221 nan 8.280 nan 0.000 0.521 416 L N -0.533 120.573 121.223 -0.195 0.000 2.046 416 L HA -0.148 4.192 4.340 0.000 0.000 0.208 416 L C 2.255 178.946 176.870 -0.298 0.000 1.077 416 L CA 1.680 56.310 54.840 -0.350 0.000 0.747 416 L CB -0.913 40.965 42.059 -0.302 0.000 0.896 416 L HN 0.150 nan 8.230 nan 0.000 0.432 417 V N -0.983 118.794 119.914 -0.229 0.000 2.548 417 V HA -0.280 3.841 4.120 0.000 0.000 0.249 417 V C 2.225 178.285 176.094 -0.056 0.000 1.055 417 V CA 1.875 64.078 62.300 -0.162 0.000 1.065 417 V CB -0.948 30.779 31.823 -0.159 0.000 0.681 417 V HN 0.598 nan 8.190 nan 0.000 0.462 418 H N -2.055 116.924 119.070 -0.152 0.000 2.524 418 H HA -0.089 4.467 4.556 0.000 0.000 0.282 418 H C 2.102 177.318 175.328 -0.186 0.000 1.016 418 H CA 1.000 56.972 56.048 -0.127 0.000 1.270 418 H CB 0.076 29.806 29.762 -0.054 0.000 1.394 418 H HN 0.400 nan 8.280 nan 0.000 0.568 419 C N -0.112 119.074 119.300 -0.190 0.000 2.539 419 C HA 0.184 4.644 4.460 0.000 0.000 0.268 419 C C 1.798 176.690 174.990 -0.164 0.000 1.395 419 C CA 0.851 59.722 59.018 -0.245 0.000 1.757 419 C CB -0.500 26.985 27.740 -0.425 0.000 1.851 419 C HN 0.874 nan 8.230 nan 0.000 0.545 420 G N 0.499 109.221 108.800 -0.130 0.000 2.141 420 G HA2 -0.218 3.743 3.960 0.000 0.000 0.195 420 G HA3 -0.218 3.743 3.960 0.000 0.000 0.195 420 G C 0.483 175.317 174.900 -0.110 0.000 1.012 420 G CA 0.246 45.285 45.100 -0.102 0.000 0.696 420 G HN 0.342 nan 8.290 nan 0.000 0.508 421 I N 0.709 121.196 120.570 -0.138 0.000 2.493 421 I HA -0.002 4.168 4.170 0.000 0.000 0.254 421 I C 2.449 178.502 176.117 -0.107 0.000 1.160 421 I CA 0.952 62.170 61.300 -0.137 0.000 1.445 421 I CB -0.135 37.758 38.000 -0.179 0.000 1.086 421 I HN 0.367 nan 8.210 nan 0.000 0.433 422 I N 0.325 120.834 120.570 -0.101 0.000 2.099 422 I HA -0.319 3.851 4.170 0.000 0.000 0.239 422 I C 2.429 178.510 176.117 -0.060 0.000 1.066 422 I CA 1.619 62.868 61.300 -0.084 0.000 1.324 422 I CB -1.495 36.456 38.000 -0.081 0.000 1.037 422 I HN 0.392 nan 8.210 nan 0.000 0.401 423 E N 1.367 121.536 120.200 -0.052 0.000 2.021 423 E HA -0.216 4.134 4.350 0.000 0.000 0.200 423 E C -0.555 176.024 176.600 -0.034 0.000 1.015 423 E CA 2.184 58.561 56.400 -0.038 0.000 0.824 423 E CB -0.831 28.848 29.700 -0.035 0.000 0.762 423 E HN 0.278 nan 8.360 nan 0.000 0.454 424 P HA -0.159 nan 4.420 nan 0.000 0.220 424 P C 1.648 178.929 177.300 -0.031 0.000 1.148 424 P CA 0.904 63.986 63.100 -0.031 0.000 0.803 424 P CB -0.012 31.666 31.700 -0.036 0.000 0.782 425 L N -1.279 119.916 121.223 -0.045 0.000 2.109 425 L HA -0.027 4.313 4.340 0.000 0.000 0.207 425 L C 2.527 179.377 176.870 -0.033 0.000 1.086 425 L CA 1.697 56.508 54.840 -0.048 0.000 0.760 425 L CB -1.077 40.941 42.059 -0.068 0.000 0.910 425 L HN -0.177 nan 8.230 nan 0.000 0.437 426 M N -0.738 118.844 119.600 -0.030 0.000 2.099 426 M HA -0.140 4.340 4.480 0.000 0.000 0.262 426 M C 1.973 178.265 176.300 -0.012 0.000 1.067 426 M CA 1.244 56.531 55.300 -0.021 0.000 1.124 426 M CB -1.568 31.019 32.600 -0.022 0.000 1.353 426 M HN 0.271 nan 8.290 nan 0.000 0.410 427 N N 0.812 119.507 118.700 -0.009 0.000 2.258 427 N HA -0.124 4.616 4.740 0.000 0.000 0.187 427 N C 1.712 177.233 175.510 0.019 0.000 1.012 427 N CA 1.082 54.134 53.050 0.003 0.000 0.870 427 N CB -0.347 38.143 38.487 0.005 0.000 0.977 427 N HN 0.406 nan 8.380 nan 0.000 0.434 428 L N 0.228 121.463 121.223 0.020 0.000 2.492 428 L HA 0.096 4.436 4.340 0.000 0.000 0.223 428 L C 1.842 178.738 176.870 0.043 0.000 1.132 428 L CA 0.035 54.904 54.840 0.050 0.000 0.850 428 L CB -0.075 42.008 42.059 0.040 0.000 0.966 428 L HN 0.088 nan 8.230 nan 0.000 0.454 429 L N -0.943 120.288 121.223 0.012 0.000 2.456 429 L HA -0.113 4.227 4.340 0.000 0.000 0.224 429 L C 2.123 178.995 176.870 0.003 0.000 1.148 429 L CA 0.570 55.410 54.840 -0.001 0.000 0.825 429 L CB -0.173 41.876 42.059 -0.017 0.000 0.937 429 L HN 0.206 nan 8.230 nan 0.000 0.450 430 S N -0.302 115.407 115.700 0.015 0.000 2.528 430 S HA 0.174 4.644 4.470 0.000 0.000 0.219 430 S C 1.137 175.748 174.600 0.019 0.000 0.985 430 S CA 0.088 58.296 58.200 0.013 0.000 0.914 430 S CB -0.054 63.152 63.200 0.010 0.000 0.776 430 S HN 0.398 nan 8.310 nan 0.000 0.526 431 A N 2.038 124.884 122.820 0.043 0.000 2.586 431 A HA 0.062 4.382 4.320 0.000 0.000 0.231 431 A C 0.898 178.483 177.584 0.001 0.000 1.055 431 A CA 0.333 52.394 52.037 0.040 0.000 0.756 431 A CB 0.221 19.326 19.000 0.176 0.000 0.988 431 A HN 0.106 nan 8.150 nan 0.000 0.509 432 K N 1.215 121.571 120.400 -0.073 0.000 2.500 432 K HA 0.091 4.411 4.320 0.000 0.000 0.206 432 K C -0.363 176.215 176.600 -0.037 0.000 1.034 432 K CA 0.250 56.508 56.287 -0.049 0.000 1.179 432 K CB 0.120 32.571 32.500 -0.082 0.000 0.884 432 K HN 0.712 nan 8.250 nan 0.000 0.493 433 D N 0.748 121.149 120.400 0.001 0.000 2.438 433 D HA 0.095 4.735 4.640 0.000 0.000 0.257 433 D C 0.337 176.710 176.300 0.122 0.000 1.148 433 D CA -0.071 53.973 54.000 0.073 0.000 0.902 433 D CB 1.015 41.906 40.800 0.151 0.000 1.062 433 D HN -0.085 nan 8.370 nan 0.000 0.518 434 T N 2.335 116.960 114.554 0.118 0.000 2.701 434 T HA -0.294 4.056 4.350 0.000 0.000 0.265 434 T C 1.679 176.439 174.700 0.099 0.000 1.032 434 T CA 1.749 63.927 62.100 0.130 0.000 1.158 434 T CB 0.050 69.014 68.868 0.161 0.000 0.854 434 T HN 0.303 nan 8.240 nan 0.000 0.463 435 K N 1.089 121.561 120.400 0.120 0.000 2.063 435 K HA 0.050 4.370 4.320 0.000 0.000 0.208 435 K C 1.994 178.620 176.600 0.042 0.000 1.048 435 K CA 1.316 57.672 56.287 0.115 0.000 0.928 435 K CB -0.793 31.817 32.500 0.183 0.000 0.713 435 K HN 0.466 nan 8.250 nan 0.000 0.442 436 I N -0.015 120.602 120.570 0.078 0.000 2.676 436 I HA -0.100 4.070 4.170 0.000 0.000 0.259 436 I C 1.611 177.698 176.117 -0.051 0.000 1.194 436 I CA 0.672 61.967 61.300 -0.008 0.000 1.473 436 I CB 0.118 38.185 38.000 0.112 0.000 1.096 436 I HN 0.185 nan 8.210 nan 0.000 0.443 437 I N 0.264 120.827 120.570 -0.012 0.000 2.439 437 I HA -0.254 3.916 4.170 0.000 0.000 0.251 437 I C 2.244 178.317 176.117 -0.075 0.000 1.139 437 I CA 1.063 62.337 61.300 -0.045 0.000 1.438 437 I CB -0.217 37.749 38.000 -0.058 0.000 1.085 437 I HN 0.322 nan 8.210 nan 0.000 0.427 438 Q N -0.024 119.732 119.800 -0.073 0.000 2.123 438 Q HA -0.101 4.239 4.340 0.000 0.000 0.199 438 Q C 2.391 178.300 176.000 -0.152 0.000 0.966 438 Q CA 1.106 56.861 55.803 -0.079 0.000 0.845 438 Q CB 0.019 28.735 28.738 -0.038 0.000 0.907 438 Q HN 0.356 nan 8.270 nan 0.000 0.439 439 V N 1.106 120.858 119.914 -0.270 0.000 2.427 439 V HA -0.228 3.892 4.120 0.000 0.000 0.248 439 V C 2.085 178.009 176.094 -0.284 0.000 1.051 439 V CA 1.475 63.497 62.300 -0.463 0.000 1.048 439 V CB -0.358 30.953 31.823 -0.853 0.000 0.666 439 V HN 0.328 nan 8.190 nan 0.000 0.456 440 I N -0.529 119.925 120.570 -0.195 0.000 2.286 440 I HA -0.177 3.993 4.170 0.000 0.000 0.245 440 I C 2.273 178.350 176.117 -0.066 0.000 1.104 440 I CA 1.309 62.537 61.300 -0.120 0.000 1.397 440 I CB -0.279 37.668 38.000 -0.088 0.000 1.072 440 I HN 0.238 nan 8.210 nan 0.000 0.417 441 L N 0.248 121.442 121.223 -0.049 0.000 2.127 441 L HA -0.241 4.099 4.340 0.000 0.000 0.211 441 L C 2.165 179.044 176.870 0.015 0.000 1.089 441 L CA 1.143 55.985 54.840 0.003 0.000 0.757 441 L CB -0.674 41.386 42.059 0.002 0.000 0.899 441 L HN 0.301 nan 8.230 nan 0.000 0.434 442 D N 0.151 120.534 120.400 -0.028 0.000 2.144 442 D HA -0.127 4.513 4.640 0.000 0.000 0.200 442 D C 2.179 178.477 176.300 -0.003 0.000 0.978 442 D CA 1.407 55.398 54.000 -0.014 0.000 0.833 442 D CB 0.271 41.038 40.800 -0.055 0.000 0.961 442 D HN 0.293 nan 8.370 nan 0.000 0.470 443 A N 0.881 123.680 122.820 -0.034 0.000 1.930 443 A HA -0.126 4.194 4.320 0.000 0.000 0.217 443 A C 2.167 179.738 177.584 -0.021 0.000 1.175 443 A CA 0.710 52.730 52.037 -0.030 0.000 0.627 443 A CB -0.380 18.583 19.000 -0.061 0.000 0.815 443 A HN 0.162 nan 8.150 nan 0.000 0.443 444 I N 0.360 120.928 120.570 -0.003 0.000 2.226 444 I HA -0.164 4.006 4.170 0.000 0.000 0.245 444 I C 2.595 178.780 176.117 0.114 0.000 1.100 444 I CA 1.648 62.961 61.300 0.021 0.000 1.374 444 I CB -1.604 36.462 38.000 0.110 0.000 1.057 444 I HN 0.222 nan 8.210 nan 0.000 0.413 445 S N 1.410 117.198 115.700 0.146 0.000 2.353 445 S HA -0.193 4.277 4.470 0.000 0.000 0.222 445 S C 1.759 176.433 174.600 0.124 0.000 1.035 445 S CA 1.616 59.925 58.200 0.182 0.000 1.025 445 S CB -0.435 62.850 63.200 0.141 0.000 0.902 445 S HN 0.441 nan 8.310 nan 0.000 0.440 446 N N 1.541 120.283 118.700 0.069 0.000 2.061 446 N HA -0.064 4.676 4.740 0.000 0.000 0.193 446 N C 1.593 177.113 175.510 0.017 0.000 1.030 446 N CA 1.243 54.322 53.050 0.047 0.000 0.856 446 N CB -0.547 37.963 38.487 0.039 0.000 1.023 446 N HN 0.404 nan 8.380 nan 0.000 0.424 447 I N -0.608 119.938 120.570 -0.040 0.000 2.252 447 I HA -0.233 3.937 4.170 0.000 0.000 0.245 447 I C 1.594 177.612 176.117 -0.165 0.000 1.102 447 I CA 0.835 62.057 61.300 -0.129 0.000 1.385 447 I CB -0.242 37.618 38.000 -0.233 0.000 1.064 447 I HN -0.012 nan 8.210 nan 0.000 0.414 448 F N 1.339 121.166 119.950 -0.205 0.000 2.102 448 F HA -0.245 4.282 4.527 0.000 0.000 0.298 448 F C 2.731 178.423 175.800 -0.180 0.000 1.105 448 F CA 1.540 59.329 58.000 -0.352 0.000 1.239 448 F CB -0.777 37.716 39.000 -0.846 0.000 0.991 448 F HN 0.080 nan 8.300 nan 0.000 0.474 449 Q N -0.542 119.329 119.800 0.118 0.000 2.197 449 Q HA -0.242 4.098 4.340 0.000 0.000 0.207 449 Q C 2.388 178.425 176.000 0.062 0.000 0.984 449 Q CA 1.487 57.353 55.803 0.105 0.000 0.869 449 Q CB -0.453 28.339 28.738 0.090 0.000 0.906 449 Q HN 0.475 nan 8.270 nan 0.000 0.426 450 A N 0.730 123.566 122.820 0.028 0.000 1.898 450 A HA 0.038 4.358 4.320 0.000 0.000 0.214 450 A C 2.295 179.883 177.584 0.006 0.000 1.183 450 A CA 1.152 53.194 52.037 0.009 0.000 0.622 450 A CB -0.611 18.383 19.000 -0.011 0.000 0.824 450 A HN 0.374 nan 8.150 nan 0.000 0.444 451 A N 0.403 123.220 122.820 -0.006 0.000 1.908 451 A HA -0.213 4.107 4.320 0.000 0.000 0.218 451 A C 1.858 179.468 177.584 0.044 0.000 1.181 451 A CA 1.694 53.733 52.037 0.003 0.000 0.627 451 A CB -0.630 18.364 19.000 -0.010 0.000 0.818 451 A HN 0.643 nan 8.150 nan 0.000 0.445 452 E N 0.077 120.322 120.200 0.075 0.000 2.097 452 E HA -0.237 4.113 4.350 0.000 0.000 0.196 452 E C 1.762 178.393 176.600 0.051 0.000 1.000 452 E CA 1.495 57.944 56.400 0.083 0.000 0.804 452 E CB -0.270 29.496 29.700 0.110 0.000 0.740 452 E HN 0.630 nan 8.360 nan 0.000 0.454 453 K N 0.314 120.737 120.400 0.039 0.000 2.439 453 K HA -0.008 4.312 4.320 0.000 0.000 0.197 453 K C 1.537 178.150 176.600 0.021 0.000 1.041 453 K CA 0.509 56.812 56.287 0.026 0.000 0.970 453 K CB 0.170 32.682 32.500 0.020 0.000 0.773 453 K HN 0.132 nan 8.250 nan 0.000 0.479 454 L N -0.748 120.489 121.223 0.023 0.000 2.906 454 L HA 0.222 4.562 4.340 0.000 0.000 0.255 454 L C 1.006 177.891 176.870 0.025 0.000 1.166 454 L CA -0.178 54.674 54.840 0.019 0.000 0.977 454 L CB 0.589 42.656 42.059 0.013 0.000 1.313 454 L HN 0.248 nan 8.230 nan 0.000 0.549 455 G N 0.733 109.552 108.800 0.032 0.000 2.225 455 G HA2 -0.325 3.635 3.960 0.000 0.000 0.272 455 G HA3 -0.325 3.635 3.960 0.000 0.000 0.272 455 G C 0.697 175.619 174.900 0.038 0.000 0.996 455 G CA 0.755 45.877 45.100 0.036 0.000 0.710 455 G HN 0.567 nan 8.290 nan 0.000 0.522 456 E N -0.199 120.023 120.200 0.036 0.000 2.403 456 E HA 0.044 4.394 4.350 0.000 0.000 0.188 456 E C 2.077 178.706 176.600 0.047 0.000 1.056 456 E CA 0.501 56.922 56.400 0.035 0.000 0.892 456 E CB 0.034 29.748 29.700 0.024 0.000 1.049 456 E HN 0.507 nan 8.360 nan 0.000 0.465 457 T N 1.586 116.185 114.554 0.075 0.000 2.536 457 T HA -0.332 4.018 4.350 0.000 0.000 0.263 457 T C 1.866 176.642 174.700 0.126 0.000 1.115 457 T CA 2.265 64.446 62.100 0.136 0.000 1.180 457 T CB -0.119 68.839 68.868 0.150 0.000 0.864 457 T HN 0.316 nan 8.240 nan 0.000 0.419 458 E N 0.108 120.356 120.200 0.081 0.000 2.208 458 E HA -0.242 4.108 4.350 0.000 0.000 0.202 458 E C 2.260 178.903 176.600 0.071 0.000 1.014 458 E CA 1.744 58.183 56.400 0.064 0.000 0.819 458 E CB -0.221 29.506 29.700 0.046 0.000 0.735 458 E HN 0.603 nan 8.360 nan 0.000 0.469 459 K N -0.543 119.891 120.400 0.056 0.000 2.155 459 K HA -0.102 4.218 4.320 0.000 0.000 0.203 459 K C 2.030 178.651 176.600 0.035 0.000 1.052 459 K CA 0.938 57.251 56.287 0.044 0.000 0.948 459 K CB -0.032 32.488 32.500 0.032 0.000 0.728 459 K HN 0.167 nan 8.250 nan 0.000 0.448 460 L N -0.081 121.151 121.223 0.015 0.000 2.102 460 L HA -0.025 4.315 4.340 0.000 0.000 0.202 460 L C 2.072 178.965 176.870 0.039 0.000 1.076 460 L CA 1.413 56.210 54.840 -0.072 0.000 0.761 460 L CB -0.533 41.345 42.059 -0.302 0.000 0.921 460 L HN 0.012 nan 8.230 nan 0.000 0.444 461 S N -0.746 115.068 115.700 0.189 0.000 2.488 461 S HA -0.162 4.308 4.470 0.000 0.000 0.246 461 S C 1.782 176.629 174.600 0.412 0.000 0.992 461 S CA 1.622 60.004 58.200 0.304 0.000 0.963 461 S CB -0.598 62.578 63.200 -0.040 0.000 0.754 461 S HN 0.518 nan 8.310 nan 0.000 0.519 462 I N -0.079 120.623 120.570 0.219 0.000 2.810 462 I HA -0.001 4.169 4.170 0.000 0.000 0.262 462 I C 2.409 178.604 176.117 0.131 0.000 1.131 462 I CA 0.529 61.934 61.300 0.175 0.000 1.453 462 I CB -0.317 37.747 38.000 0.107 0.000 1.161 462 I HN 0.292 nan 8.210 nan 0.000 0.444 463 M N 0.670 120.322 119.600 0.087 0.000 2.149 463 M HA -0.220 4.260 4.480 0.000 0.000 0.261 463 M C 2.233 178.564 176.300 0.052 0.000 1.064 463 M CA 2.027 57.353 55.300 0.043 0.000 1.102 463 M CB -0.362 32.238 32.600 -0.000 0.000 1.369 463 M HN 0.212 nan 8.290 nan 0.000 0.408 464 I N -0.607 120.027 120.570 0.107 0.000 2.830 464 I HA -0.203 3.967 4.170 0.000 0.000 0.263 464 I C 2.315 178.470 176.117 0.063 0.000 1.230 464 I CA 0.889 62.255 61.300 0.110 0.000 1.480 464 I CB -0.269 37.890 38.000 0.265 0.000 1.095 464 I HN 0.389 nan 8.210 nan 0.000 0.455 465 E N 0.781 121.039 120.200 0.097 0.000 2.057 465 E HA -0.135 4.215 4.350 0.000 0.000 0.190 465 E C 1.904 178.516 176.600 0.020 0.000 0.969 465 E CA 0.345 56.765 56.400 0.033 0.000 0.812 465 E CB 0.271 30.023 29.700 0.087 0.000 0.777 465 E HN 0.261 nan 8.360 nan 0.000 0.455 466 E N 0.700 120.922 120.200 0.036 0.000 2.028 466 E HA -0.287 4.063 4.350 0.000 0.000 0.217 466 E C 2.227 178.830 176.600 0.005 0.000 1.039 466 E CA 1.674 58.086 56.400 0.020 0.000 0.882 466 E CB -0.994 28.718 29.700 0.020 0.000 0.794 466 E HN 0.422 nan 8.360 nan 0.000 0.488 467 C N -0.492 118.809 119.300 0.001 0.000 2.397 467 C HA -0.097 4.363 4.460 0.000 0.000 0.282 467 C C 1.751 176.733 174.990 -0.012 0.000 1.252 467 C CA 0.977 59.990 59.018 -0.008 0.000 1.811 467 C CB -1.403 26.329 27.740 -0.013 0.000 2.027 467 C HN 0.775 nan 8.230 nan 0.000 0.503 468 G N -1.203 107.588 108.800 -0.016 0.000 2.226 468 G HA2 0.023 3.983 3.960 0.000 0.000 0.176 468 G HA3 0.023 3.983 3.960 0.000 0.000 0.176 468 G C 0.525 175.401 174.900 -0.040 0.000 1.042 468 G CA 0.240 45.325 45.100 -0.026 0.000 0.732 468 G HN 0.659 nan 8.290 nan 0.000 0.494 469 G N -0.222 108.549 108.800 -0.049 0.000 2.545 469 G HA2 0.290 4.250 3.960 0.000 0.000 0.212 469 G HA3 0.290 4.250 3.960 0.000 0.000 0.212 469 G C 1.652 176.469 174.900 -0.139 0.000 1.144 469 G CA 1.056 46.118 45.100 -0.064 0.000 0.813 469 G HN 0.944 nan 8.290 nan 0.000 0.531 470 L N 0.957 122.055 121.223 -0.209 0.000 2.263 470 L HA -0.058 4.282 4.340 0.000 0.000 0.216 470 L C 1.801 178.523 176.870 -0.248 0.000 1.111 470 L CA 1.737 56.340 54.840 -0.396 0.000 0.773 470 L CB -0.268 41.580 42.059 -0.351 0.000 0.906 470 L HN 0.064 nan 8.230 nan 0.000 0.439 471 D N -0.414 119.903 120.400 -0.140 0.000 2.107 471 D HA -0.131 4.509 4.640 0.000 0.000 0.204 471 D C 2.079 178.334 176.300 -0.075 0.000 0.978 471 D CA 1.261 55.207 54.000 -0.089 0.000 0.852 471 D CB 0.058 40.825 40.800 -0.056 0.000 1.008 471 D HN 0.325 nan 8.370 nan 0.000 0.458 472 K N 0.431 120.793 120.400 -0.063 0.000 2.127 472 K HA -0.133 4.187 4.320 0.000 0.000 0.208 472 K C 2.198 178.769 176.600 -0.049 0.000 1.047 472 K CA 0.997 57.257 56.287 -0.045 0.000 0.927 472 K CB -0.167 32.312 32.500 -0.036 0.000 0.716 472 K HN 0.266 nan 8.250 nan 0.000 0.450 473 I N 0.620 121.147 120.570 -0.072 0.000 2.830 473 I HA -0.158 4.012 4.170 0.000 0.000 0.263 473 I C 2.413 178.504 176.117 -0.044 0.000 1.230 473 I CA 0.838 62.107 61.300 -0.051 0.000 1.480 473 I CB -0.165 37.797 38.000 -0.064 0.000 1.095 473 I HN 0.249 nan 8.210 nan 0.000 0.455 474 E N 1.482 121.640 120.200 -0.071 0.000 2.042 474 E HA -0.113 4.237 4.350 0.000 0.000 0.189 474 E C 2.373 178.965 176.600 -0.013 0.000 0.974 474 E CA 0.983 57.354 56.400 -0.047 0.000 0.806 474 E CB 0.013 29.672 29.700 -0.069 0.000 0.769 474 E HN 0.413 nan 8.360 nan 0.000 0.451 475 A N 0.918 123.729 122.820 -0.015 0.000 2.015 475 A HA -0.079 4.241 4.320 0.000 0.000 0.219 475 A C 2.021 179.623 177.584 0.031 0.000 1.163 475 A CA 0.673 52.714 52.037 0.006 0.000 0.646 475 A CB -0.475 18.527 19.000 0.003 0.000 0.806 475 A HN 0.285 nan 8.150 nan 0.000 0.448 476 L N -0.488 120.744 121.223 0.015 0.000 2.622 476 L HA -0.164 4.176 4.340 0.000 0.000 0.233 476 L C 2.518 179.448 176.870 0.100 0.000 1.156 476 L CA 0.476 55.324 54.840 0.014 0.000 0.866 476 L CB -0.393 41.632 42.059 -0.056 0.000 0.980 476 L HN 0.559 nan 8.230 nan 0.000 0.448 477 Q N 0.246 120.098 119.800 0.087 0.000 2.008 477 Q HA -0.077 4.263 4.340 0.000 0.000 0.196 477 Q C 0.843 176.888 176.000 0.074 0.000 0.973 477 Q CA 0.884 56.758 55.803 0.119 0.000 0.826 477 Q CB 0.044 28.822 28.738 0.068 0.000 0.894 477 Q HN 0.392 nan 8.270 nan 0.000 0.439 478 R N 1.358 121.868 120.500 0.018 0.000 3.688 478 R HA 0.076 4.417 4.340 0.000 0.000 0.194 478 R C -0.283 176.018 176.300 0.001 0.000 1.677 478 R CA -0.072 55.996 56.100 -0.052 0.000 1.351 478 R CB -0.233 30.046 30.300 -0.036 0.000 1.338 478 R HN 0.226 nan 8.270 nan 0.000 0.731 479 H N 0.264 119.247 119.070 -0.145 0.000 3.315 479 H HA 0.208 4.764 4.556 0.000 0.000 0.280 479 H C 0.882 176.149 175.328 -0.102 0.000 1.664 479 H CA -0.536 55.493 56.048 -0.031 0.000 1.531 479 H CB 1.155 31.009 29.762 0.154 0.000 1.673 479 H HN 0.300 nan 8.280 nan 0.000 0.857 480 E N -1.019 118.848 120.200 -0.555 0.000 2.406 480 E HA 0.052 4.402 4.350 0.000 0.000 0.204 480 E C -0.075 176.605 176.600 0.133 0.000 0.820 480 E CA -0.394 55.860 56.400 -0.243 0.000 1.136 480 E CB 0.292 29.796 29.700 -0.327 0.000 1.129 480 E HN 0.275 nan 8.360 nan 0.000 0.530 481 N N 2.262 121.063 118.700 0.169 0.000 2.411 481 N HA -0.038 4.702 4.740 0.000 0.000 0.259 481 N C 0.509 176.156 175.510 0.230 0.000 1.103 481 N CA 0.259 53.460 53.050 0.252 0.000 0.954 481 N CB 1.279 39.907 38.487 0.235 0.000 1.085 481 N HN 0.271 nan 8.380 nan 0.000 0.485 482 E N 2.689 122.902 120.200 0.022 0.000 2.094 482 E HA -0.322 4.028 4.350 0.000 0.000 0.232 482 E C 1.125 177.461 176.600 -0.440 0.000 1.055 482 E CA 2.361 58.481 56.400 -0.466 0.000 0.923 482 E CB -0.142 29.434 29.700 -0.207 0.000 0.815 482 E HN 0.714 nan 8.360 nan 0.000 0.502 483 S N -0.574 115.023 115.700 -0.172 0.000 2.414 483 S HA -0.258 4.212 4.470 0.000 0.000 0.241 483 S C 1.904 176.448 174.600 -0.092 0.000 1.079 483 S CA 1.558 59.695 58.200 -0.104 0.000 1.087 483 S CB -0.447 62.737 63.200 -0.026 0.000 0.927 483 S HN 0.201 nan 8.310 nan 0.000 0.456 484 V N 1.253 121.148 119.914 -0.032 0.000 2.222 484 V HA -0.204 3.916 4.120 0.000 0.000 0.240 484 V C 2.014 178.118 176.094 0.018 0.000 1.040 484 V CA 2.178 64.476 62.300 -0.003 0.000 0.988 484 V CB -1.217 30.619 31.823 0.022 0.000 0.633 484 V HN 0.763 nan 8.190 nan 0.000 0.452 485 Y N 0.859 121.210 120.300 0.085 0.000 2.556 485 Y HA -0.093 4.457 4.550 0.000 0.000 0.290 485 Y C 2.090 178.022 175.900 0.053 0.000 1.149 485 Y CA 1.096 59.240 58.100 0.074 0.000 1.329 485 Y CB -0.896 37.637 38.460 0.122 0.000 0.975 485 Y HN 0.171 nan 8.280 nan 0.000 0.561 486 K N 0.859 121.105 120.400 -0.257 0.000 2.031 486 K HA 0.020 4.340 4.320 0.000 0.000 0.205 486 K C 2.517 179.095 176.600 -0.036 0.000 1.049 486 K CA 1.069 57.253 56.287 -0.171 0.000 0.939 486 K CB -0.304 32.062 32.500 -0.223 0.000 0.717 486 K HN 0.425 nan 8.250 nan 0.000 0.438 487 A N 1.397 124.201 122.820 -0.026 0.000 1.929 487 A HA -0.098 4.222 4.320 0.000 0.000 0.216 487 A C 2.211 179.832 177.584 0.061 0.000 1.176 487 A CA 1.492 53.542 52.037 0.021 0.000 0.628 487 A CB -0.454 18.556 19.000 0.017 0.000 0.816 487 A HN 0.175 nan 8.150 nan 0.000 0.444 488 S N 0.119 115.856 115.700 0.062 0.000 2.398 488 S HA -0.226 4.244 4.470 0.000 0.000 0.220 488 S C 1.864 176.525 174.600 0.102 0.000 1.038 488 S CA 1.609 59.859 58.200 0.083 0.000 1.080 488 S CB -0.819 62.432 63.200 0.086 0.000 1.039 488 S HN 0.468 nan 8.310 nan 0.000 0.419 489 L N 2.933 124.221 121.223 0.108 0.000 2.010 489 L HA -0.230 4.110 4.340 0.000 0.000 0.219 489 L C 2.057 178.966 176.870 0.065 0.000 1.077 489 L CA 2.279 57.176 54.840 0.094 0.000 0.773 489 L CB -1.144 40.983 42.059 0.114 0.000 0.892 489 L HN 0.380 nan 8.230 nan 0.000 0.436 490 N N -0.896 117.832 118.700 0.047 0.000 2.258 490 N HA -0.228 4.512 4.740 0.000 0.000 0.187 490 N C 1.744 177.255 175.510 0.002 0.000 1.012 490 N CA 1.791 54.845 53.050 0.007 0.000 0.870 490 N CB -0.297 38.195 38.487 0.008 0.000 0.977 490 N HN 0.527 nan 8.380 nan 0.000 0.434 491 L N -0.452 120.834 121.223 0.105 0.000 2.095 491 L HA -0.048 4.292 4.340 0.000 0.000 0.204 491 L C 1.970 178.999 176.870 0.266 0.000 1.080 491 L CA 0.266 55.243 54.840 0.229 0.000 0.759 491 L CB -0.302 41.958 42.059 0.335 0.000 0.914 491 L HN 0.178 nan 8.230 nan 0.000 0.439 492 I N 0.725 121.438 120.570 0.237 0.000 2.034 492 I HA -0.264 3.906 4.170 0.000 0.000 0.228 492 I C 1.409 177.599 176.117 0.122 0.000 1.041 492 I CA 1.179 62.634 61.300 0.259 0.000 1.321 492 I CB -1.246 36.831 38.000 0.128 0.000 1.062 492 I HN 0.422 nan 8.210 nan 0.000 0.389 493 E N 2.754 122.970 120.200 0.026 0.000 1.855 493 E HA -0.028 4.322 4.350 0.000 0.000 0.259 493 E C 0.463 176.957 176.600 -0.176 0.000 1.229 493 E CA 0.346 56.717 56.400 -0.049 0.000 1.042 493 E CB 0.149 29.829 29.700 -0.034 0.000 1.079 493 E HN 0.560 nan 8.360 nan 0.000 0.434 494 K N 2.025 122.254 120.400 -0.286 0.000 1.122 494 K HA -0.082 4.238 4.320 0.000 0.000 0.071 494 K C -0.300 175.786 176.600 -0.856 0.000 2.379 494 K CA 0.157 56.085 56.287 -0.599 0.000 0.982 494 K CB -0.095 31.912 32.500 -0.822 0.000 2.642 494 K HN 0.336 nan 8.250 nan 0.000 0.324 495 Y N -1.408 118.631 120.300 -0.435 0.000 2.438 495 Y HA 0.387 4.937 4.550 0.000 0.000 0.274 495 Y C 0.938 176.380 175.900 -0.763 0.000 1.085 495 Y CA -0.449 57.191 58.100 -0.767 0.000 1.199 495 Y CB 0.462 38.003 38.460 -1.532 0.000 1.317 495 Y HN -0.047 nan 8.280 nan 0.000 0.545 496 F N -0.177 119.781 119.950 0.013 0.000 2.276 496 F HA 0.250 4.777 4.527 -0.000 0.000 0.213 496 F C 1.577 177.383 175.800 0.010 0.000 1.098 496 F CA -0.091 57.931 58.000 0.036 0.000 1.162 496 F CB -1.140 37.892 39.000 0.053 0.000 1.511 496 F HN -0.254 nan 8.300 nan 0.000 0.540 497 S N 0.000 115.845 115.700 0.242 0.000 2.498 497 S HA 0.000 4.470 4.470 0.000 0.000 0.327 497 S CA 0.000 58.269 58.200 0.115 0.000 1.107 497 S CB 0.000 63.248 63.200 0.080 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517