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 1up3_1_A DATA FIRST_RESID 88 DATA SEQUENCE ANPLAGKPFY VDPASAAMVA ARNANPPNAE LTSVANTPQS YWLDQAFPPA DATA SEQUENCE TVGGTVARYT GAAQAAGAMP VLTLYGIPHR DcGSYASGGF ATGTDYRGWI DATA SEQUENCE DAVASGLGSS PATIIVEPDA LAMADcLSPD QRQERFDLVR YAVDTLTRDP DATA SEQUENCE AAAVYVDAGH SRWLSAEAMA ARLNDVGVGR ARGFSLNVSN FYTTDEEIGY DATA SEQUENCE GEAISGLTNG SHYVIDTSRN GAGPAPDAPL NWcNPSGRAL GAPPTTATAG DATA SEQUENCE AHADAYLWIK RPGESDGTcG RGEPQAGRFV SQYAIDLAHN AGQ 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 88 A HA 0.000 nan 4.320 nan 0.000 0.244 88 A C 0.000 177.508 177.584 -0.127 0.000 1.274 88 A CA 0.000 51.986 52.037 -0.085 0.000 0.836 88 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 89 N N 1.385 120.015 118.700 -0.117 0.000 2.416 89 N HA 0.265 4.986 4.740 -0.031 0.000 0.265 89 N C -1.271 174.197 175.510 -0.069 0.000 1.195 89 N CA -1.422 51.559 53.050 -0.115 0.000 0.943 89 N CB 0.926 39.361 38.487 -0.086 0.000 1.115 89 N HN 0.338 nan 8.380 nan 0.000 0.481 90 P HA -0.060 nan 4.420 nan 0.000 0.230 90 P C 0.836 178.145 177.300 0.015 0.000 1.158 90 P CA 0.864 63.952 63.100 -0.019 0.000 0.769 90 P CB 0.419 32.112 31.700 -0.011 0.000 0.807 91 L N -1.777 119.470 121.223 0.041 0.000 2.607 91 L HA 0.297 4.619 4.340 -0.031 0.000 0.228 91 L C 1.319 178.150 176.870 -0.066 0.000 1.123 91 L CA -0.329 54.556 54.840 0.076 0.000 0.890 91 L CB -0.238 41.963 42.059 0.236 0.000 1.103 91 L HN -0.123 nan 8.230 nan 0.000 0.468 92 A N -0.344 122.431 122.820 -0.076 0.000 2.271 92 A HA 0.603 4.904 4.320 -0.031 0.000 0.288 92 A C 1.271 178.776 177.584 -0.131 0.000 1.094 92 A CA 0.524 52.493 52.037 -0.113 0.000 0.828 92 A CB 0.666 19.616 19.000 -0.083 0.000 1.091 92 A HN 0.368 nan 8.150 nan 0.000 0.493 93 G N -0.399 108.318 108.800 -0.138 0.000 2.268 93 G HA2 -0.210 3.731 3.960 -0.031 0.000 0.240 93 G HA3 -0.210 3.731 3.960 -0.031 0.000 0.240 93 G C 0.151 174.967 174.900 -0.141 0.000 1.010 93 G CA 0.800 45.828 45.100 -0.120 0.000 0.618 93 G HN 1.540 nan 8.290 nan 0.000 0.516 94 K N 0.054 120.333 120.400 -0.203 0.000 2.536 94 K HA 0.687 4.989 4.320 -0.031 0.000 0.269 94 K C -3.209 173.191 176.600 -0.334 0.000 0.965 94 K CA -1.854 54.307 56.287 -0.209 0.000 0.860 94 K CB 2.586 34.998 32.500 -0.147 0.000 1.423 94 K HN 0.055 nan 8.250 nan 0.000 0.438 95 P HA 0.117 nan 4.420 nan 0.000 0.272 95 P C -0.816 176.310 177.300 -0.290 0.000 1.223 95 P CA -0.193 62.735 63.100 -0.287 0.000 0.784 95 P CB 0.176 31.806 31.700 -0.118 0.000 0.923 96 F N 0.230 120.186 119.950 0.009 0.000 2.471 96 F HA 0.127 4.634 4.527 -0.034 0.000 0.353 96 F C 1.080 176.936 175.800 0.093 0.000 1.113 96 F CA -0.049 57.980 58.000 0.048 0.000 1.262 96 F CB -0.280 38.735 39.000 0.024 0.000 1.146 96 F HN 0.259 nan 8.300 nan 0.000 0.578 97 Y N 2.644 123.051 120.300 0.178 0.000 2.465 97 Y HA 0.351 4.883 4.550 -0.030 0.000 0.331 97 Y C -0.366 175.587 175.900 0.089 0.000 1.102 97 Y CA -0.798 57.343 58.100 0.068 0.000 1.358 97 Y CB 0.363 38.826 38.460 0.004 0.000 1.213 97 Y HN 0.267 nan 8.280 nan 0.000 0.525 98 V N 7.200 126.907 119.914 -0.345 0.000 2.385 98 V HA 0.053 4.154 4.120 -0.031 0.000 0.269 98 V C -0.072 175.556 176.094 -0.777 0.000 1.043 98 V CA -0.841 61.235 62.300 -0.373 0.000 0.906 98 V CB 0.874 32.578 31.823 -0.198 0.000 0.995 98 V HN 0.691 nan 8.190 nan 0.000 0.467 99 D N 8.589 128.704 120.400 -0.475 0.000 2.363 99 D HA 0.106 4.727 4.640 -0.031 0.000 0.263 99 D C -1.097 175.099 176.300 -0.174 0.000 1.258 99 D CA -1.740 52.073 54.000 -0.313 0.000 0.907 99 D CB 1.638 42.505 40.800 0.112 0.000 1.107 99 D HN 0.304 nan 8.370 nan 0.000 0.495 100 P HA 0.042 nan 4.420 nan 0.000 0.237 100 P C 0.189 177.483 177.300 -0.010 0.000 1.178 100 P CA 0.269 63.326 63.100 -0.071 0.000 0.766 100 P CB 0.435 32.108 31.700 -0.044 0.000 0.876 101 A N -0.229 122.610 122.820 0.032 0.000 2.606 101 A HA 0.347 4.648 4.320 -0.031 0.000 0.290 101 A C 0.819 178.448 177.584 0.074 0.000 1.174 101 A CA -0.175 51.899 52.037 0.060 0.000 0.958 101 A CB -0.412 18.648 19.000 0.100 0.000 1.194 101 A HN 0.226 nan 8.150 nan 0.000 0.526 102 S N -0.749 114.980 115.700 0.049 0.000 2.584 102 S HA 0.454 4.906 4.470 -0.031 0.000 0.270 102 S C 1.409 175.945 174.600 -0.107 0.000 1.346 102 S CA 0.037 58.252 58.200 0.026 0.000 1.018 102 S CB 1.233 64.447 63.200 0.022 0.000 0.899 102 S HN 1.079 nan 8.310 nan 0.000 0.542 103 A N 2.210 124.908 122.820 -0.203 0.000 1.940 103 A HA 0.083 4.385 4.320 -0.031 0.000 0.219 103 A C 2.413 179.485 177.584 -0.853 0.000 1.176 103 A CA 1.881 53.644 52.037 -0.457 0.000 0.631 103 A CB -1.677 17.038 19.000 -0.474 0.000 0.814 103 A HN 1.373 nan 8.150 nan 0.000 0.446 104 A N -1.035 121.262 122.820 -0.872 0.000 1.902 104 A HA -0.134 4.168 4.320 -0.031 0.000 0.217 104 A C 2.181 179.626 177.584 -0.231 0.000 1.181 104 A CA 2.273 53.947 52.037 -0.604 0.000 0.623 104 A CB -0.469 18.455 19.000 -0.126 0.000 0.818 104 A HN 0.576 nan 8.150 nan 0.000 0.443 105 M N -0.348 119.162 119.600 -0.151 0.000 2.132 105 M HA -0.052 4.409 4.480 -0.031 0.000 0.263 105 M C 1.879 178.138 176.300 -0.069 0.000 1.065 105 M CA 1.593 56.851 55.300 -0.070 0.000 1.122 105 M CB -0.479 32.094 32.600 -0.044 0.000 1.365 105 M HN 0.106 nan 8.290 nan 0.000 0.411 106 V N 0.486 120.339 119.914 -0.101 0.000 2.295 106 V HA -0.266 3.835 4.120 -0.031 0.000 0.246 106 V C 2.578 178.641 176.094 -0.051 0.000 1.049 106 V CA 1.901 64.161 62.300 -0.066 0.000 1.024 106 V CB -1.665 30.117 31.823 -0.068 0.000 0.648 106 V HN 0.636 nan 8.190 nan 0.000 0.447 107 A N -0.071 122.697 122.820 -0.087 0.000 1.908 107 A HA -0.147 4.154 4.320 -0.031 0.000 0.218 107 A C 2.409 180.012 177.584 0.033 0.000 1.181 107 A CA 2.212 54.255 52.037 0.010 0.000 0.627 107 A CB -0.799 18.268 19.000 0.111 0.000 0.818 107 A HN 0.589 nan 8.150 nan 0.000 0.445 108 A N -0.461 122.370 122.820 0.018 0.000 1.930 108 A HA -0.125 4.177 4.320 -0.031 0.000 0.217 108 A C 2.234 179.833 177.584 0.024 0.000 1.175 108 A CA 1.401 53.460 52.037 0.036 0.000 0.627 108 A CB -0.406 18.613 19.000 0.033 0.000 0.815 108 A HN 0.543 nan 8.150 nan 0.000 0.443 109 R N -0.541 119.965 120.500 0.011 0.000 2.148 109 R HA -0.002 4.319 4.340 -0.031 0.000 0.223 109 R C 1.256 177.565 176.300 0.014 0.000 1.088 109 R CA 1.060 57.166 56.100 0.010 0.000 0.985 109 R CB -0.166 30.136 30.300 0.004 0.000 0.880 109 R HN 0.457 nan 8.270 nan 0.000 0.451 110 N N 0.715 119.425 118.700 0.017 0.000 2.415 110 N HA 0.031 4.753 4.740 -0.031 0.000 0.176 110 N C 0.073 175.598 175.510 0.025 0.000 1.042 110 N CA 0.245 53.307 53.050 0.020 0.000 0.902 110 N CB 0.236 38.736 38.487 0.021 0.000 0.986 110 N HN 0.084 nan 8.380 nan 0.000 0.447 111 A N 1.512 124.351 122.820 0.031 0.000 2.546 111 A HA 0.084 4.385 4.320 -0.031 0.000 0.243 111 A C 0.221 177.820 177.584 0.026 0.000 1.063 111 A CA 0.239 52.297 52.037 0.034 0.000 0.757 111 A CB -0.221 18.805 19.000 0.043 0.000 0.991 111 A HN 0.235 nan 8.150 nan 0.000 0.503 112 N N 2.910 121.624 118.700 0.023 0.000 2.577 112 N HA 0.481 5.202 4.740 -0.031 0.000 0.275 112 N C -2.413 173.106 175.510 0.016 0.000 1.091 112 N CA -1.266 51.795 53.050 0.018 0.000 0.843 112 N CB 1.232 39.728 38.487 0.015 0.000 1.295 112 N HN 0.569 nan 8.380 nan 0.000 0.530 113 P HA 0.538 nan 4.420 nan 0.000 0.277 113 P C -2.755 174.559 177.300 0.023 0.000 1.271 113 P CA -1.159 61.952 63.100 0.018 0.000 0.795 113 P CB -0.376 31.334 31.700 0.017 0.000 1.101 114 P HA 0.029 nan 4.420 nan 0.000 0.265 114 P C -0.083 177.238 177.300 0.035 0.000 1.187 114 P CA 0.315 63.433 63.100 0.029 0.000 0.766 114 P CB 0.219 31.935 31.700 0.026 0.000 0.820 115 N N 1.871 120.598 118.700 0.044 0.000 2.407 115 N HA 0.266 4.987 4.740 -0.031 0.000 0.277 115 N C 0.726 176.273 175.510 0.062 0.000 0.995 115 N CA -0.350 52.732 53.050 0.052 0.000 0.903 115 N CB 1.647 40.169 38.487 0.058 0.000 1.218 115 N HN 0.244 nan 8.380 nan 0.000 0.487 116 A N 3.775 126.632 122.820 0.062 0.000 1.933 116 A HA -0.129 4.173 4.320 -0.031 0.000 0.218 116 A C 1.653 179.288 177.584 0.085 0.000 1.175 116 A CA 1.438 53.515 52.037 0.067 0.000 0.628 116 A CB -0.183 18.855 19.000 0.063 0.000 0.814 116 A HN 0.765 nan 8.150 nan 0.000 0.444 117 E N 0.142 120.400 120.200 0.096 0.000 2.047 117 E HA -0.054 4.277 4.350 -0.031 0.000 0.191 117 E C 1.916 178.596 176.600 0.134 0.000 0.987 117 E CA 0.939 57.409 56.400 0.118 0.000 0.799 117 E CB -0.351 29.421 29.700 0.121 0.000 0.752 117 E HN 0.611 nan 8.360 nan 0.000 0.449 118 L N 0.350 121.650 121.223 0.128 0.000 2.093 118 L HA -0.154 4.168 4.340 -0.031 0.000 0.208 118 L C 2.276 179.220 176.870 0.123 0.000 1.085 118 L CA 1.327 56.258 54.840 0.151 0.000 0.755 118 L CB -0.570 41.576 42.059 0.145 0.000 0.904 118 L HN 0.188 nan 8.230 nan 0.000 0.435 119 T N -1.260 113.350 114.554 0.093 0.000 2.746 119 T HA -0.209 4.122 4.350 -0.031 0.000 0.267 119 T C 2.171 176.919 174.700 0.080 0.000 1.039 119 T CA 1.710 63.853 62.100 0.071 0.000 1.142 119 T CB -0.117 68.784 68.868 0.055 0.000 0.866 119 T HN 0.285 nan 8.240 nan 0.000 0.444 120 S N 0.378 116.138 115.700 0.099 0.000 2.353 120 S HA -0.125 4.327 4.470 -0.031 0.000 0.222 120 S C 2.174 176.863 174.600 0.149 0.000 1.035 120 S CA 1.432 59.698 58.200 0.110 0.000 1.025 120 S CB -0.557 62.721 63.200 0.130 0.000 0.902 120 S HN 0.292 nan 8.310 nan 0.000 0.440 121 V N 2.249 122.291 119.914 0.214 0.000 2.295 121 V HA -0.152 3.950 4.120 -0.031 0.000 0.246 121 V C 2.875 179.100 176.094 0.219 0.000 1.049 121 V CA 1.839 64.328 62.300 0.314 0.000 1.024 121 V CB -1.417 30.602 31.823 0.326 0.000 0.648 121 V HN 0.626 nan 8.190 nan 0.000 0.447 122 A N 0.179 123.082 122.820 0.139 0.000 1.978 122 A HA -0.209 4.092 4.320 -0.031 0.000 0.220 122 A C 1.868 179.473 177.584 0.035 0.000 1.170 122 A CA 1.963 54.043 52.037 0.071 0.000 0.636 122 A CB -0.537 18.485 19.000 0.036 0.000 0.810 122 A HN 0.594 nan 8.150 nan 0.000 0.448 123 N N -0.168 118.548 118.700 0.027 0.000 2.322 123 N HA 0.034 4.756 4.740 -0.031 0.000 0.194 123 N C -0.522 174.957 175.510 -0.051 0.000 1.126 123 N CA 0.383 53.425 53.050 -0.013 0.000 0.845 123 N CB 0.201 38.684 38.487 -0.007 0.000 0.976 123 N HN 0.313 nan 8.380 nan 0.000 0.475 124 T N 2.947 117.461 114.554 -0.066 0.000 2.795 124 T HA 0.294 4.625 4.350 -0.031 0.000 0.282 124 T C -2.552 172.061 174.700 -0.145 0.000 0.980 124 T CA -1.393 60.572 62.100 -0.226 0.000 1.012 124 T CB 2.180 70.722 68.868 -0.543 0.000 0.936 124 T HN 0.017 nan 8.240 nan 0.000 0.457 125 P HA 0.219 nan 4.420 nan 0.000 0.271 125 P C -0.869 176.450 177.300 0.033 0.000 1.220 125 P CA -0.278 62.814 63.100 -0.013 0.000 0.768 125 P CB 0.597 32.345 31.700 0.081 0.000 0.848 126 Q N 0.584 120.477 119.800 0.155 0.000 2.456 126 Q HA 0.455 4.776 4.340 -0.031 0.000 0.284 126 Q C -0.245 175.921 176.000 0.277 0.000 1.061 126 Q CA -0.938 55.021 55.803 0.260 0.000 0.799 126 Q CB 1.813 30.759 28.738 0.347 0.000 1.445 126 Q HN 0.494 nan 8.270 nan 0.000 0.411 127 S N 0.007 115.873 115.700 0.278 0.000 2.603 127 S HA 0.305 4.756 4.470 -0.031 0.000 0.268 127 S C -0.915 173.893 174.600 0.345 0.000 1.317 127 S CA -0.434 57.910 58.200 0.239 0.000 1.012 127 S CB 0.435 63.674 63.200 0.064 0.000 0.926 127 S HN 0.575 nan 8.310 nan 0.000 0.539 128 Y N 1.689 122.030 120.300 0.068 0.000 2.353 128 Y HA 0.503 5.033 4.550 -0.032 0.000 0.340 128 Y C -1.220 174.688 175.900 0.013 0.000 0.972 128 Y CA -1.103 56.992 58.100 -0.007 0.000 1.157 128 Y CB 0.516 38.647 38.460 -0.548 0.000 1.157 128 Y HN 0.762 nan 8.280 nan 0.000 0.495 129 W N 7.571 128.641 121.300 -0.384 0.000 2.351 129 W HA 0.586 5.231 4.660 -0.026 0.000 0.311 129 W C -1.233 175.137 176.519 -0.247 0.000 1.168 129 W CA -0.624 56.614 57.345 -0.179 0.000 1.200 129 W CB 0.812 30.235 29.460 -0.062 0.000 1.221 129 W HN 0.348 nan 8.180 nan 0.000 0.519 130 L N 4.759 126.067 121.223 0.142 0.000 2.346 130 L HA 0.519 4.840 4.340 -0.031 0.000 0.276 130 L C -0.106 177.132 176.870 0.613 0.000 1.006 130 L CA -0.789 54.148 54.840 0.162 0.000 0.817 130 L CB 1.581 43.669 42.059 0.049 0.000 1.272 130 L HN 0.467 nan 8.230 nan 0.000 0.421 131 D N 0.467 121.269 120.400 0.671 0.000 3.158 131 D HA 0.047 4.668 4.640 -0.031 0.000 0.314 131 D C 0.267 176.595 176.300 0.046 0.000 1.308 131 D CA -0.493 53.680 54.000 0.288 0.000 1.001 131 D CB 0.182 41.092 40.800 0.183 0.000 1.389 131 D HN 0.358 nan 8.370 nan 0.000 0.595 132 Q N 0.091 119.591 119.800 -0.501 0.000 2.500 132 Q HA 0.061 4.382 4.340 -0.031 0.000 0.213 132 Q C 1.392 177.190 176.000 -0.335 0.000 0.974 132 Q CA 1.485 56.708 55.803 -0.967 0.000 0.918 132 Q CB -0.713 27.203 28.738 -1.370 0.000 0.980 132 Q HN 0.520 nan 8.270 nan 0.000 0.505 133 A N 0.367 123.109 122.820 -0.131 0.000 2.121 133 A HA 0.050 4.351 4.320 -0.031 0.000 0.218 133 A C 0.117 177.527 177.584 -0.290 0.000 1.154 133 A CA 0.301 52.205 52.037 -0.221 0.000 0.679 133 A CB -0.321 18.484 19.000 -0.325 0.000 0.795 133 A HN 0.276 nan 8.150 nan 0.000 0.458 134 F N 1.148 121.224 119.950 0.210 0.000 2.307 134 F HA 0.349 4.858 4.527 -0.029 0.000 0.369 134 F C -2.274 173.816 175.800 0.484 0.000 1.076 134 F CA -3.098 55.106 58.000 0.340 0.000 1.149 134 F CB 1.076 40.333 39.000 0.429 0.000 1.410 134 F HN -0.010 nan 8.300 nan 0.000 0.481 135 P HA 0.135 nan 4.420 nan 0.000 0.272 135 P C -2.233 175.356 177.300 0.482 0.000 1.240 135 P CA -1.462 61.922 63.100 0.472 0.000 0.791 135 P CB 0.811 32.673 31.700 0.270 0.000 0.978 136 P HA -0.210 nan 4.420 nan 0.000 0.217 136 P C 1.438 178.834 177.300 0.160 0.000 1.148 136 P CA 2.272 65.522 63.100 0.249 0.000 0.834 136 P CB -0.540 31.229 31.700 0.115 0.000 0.783 137 A N -0.950 121.963 122.820 0.155 0.000 2.019 137 A HA -0.132 4.169 4.320 -0.031 0.000 0.219 137 A C 2.014 179.665 177.584 0.112 0.000 1.164 137 A CA 2.363 54.466 52.037 0.110 0.000 0.644 137 A CB -1.393 17.667 19.000 0.100 0.000 0.805 137 A HN 0.382 nan 8.150 nan 0.000 0.449 138 T N -5.664 108.984 114.554 0.156 0.000 2.986 138 T HA 0.145 4.476 4.350 -0.031 0.000 0.264 138 T C 1.389 176.197 174.700 0.179 0.000 0.964 138 T CA 0.692 62.884 62.100 0.153 0.000 0.895 138 T CB -0.099 68.866 68.868 0.161 0.000 1.163 138 T HN 0.132 nan 8.240 nan 0.000 0.517 139 V N 2.245 122.289 119.914 0.216 0.000 2.594 139 V HA 0.088 4.190 4.120 -0.031 0.000 0.253 139 V C 2.497 178.618 176.094 0.045 0.000 1.069 139 V CA 2.334 64.750 62.300 0.192 0.000 1.082 139 V CB -1.060 30.878 31.823 0.191 0.000 0.680 139 V HN 0.657 nan 8.190 nan 0.000 0.469 140 G N -0.216 108.593 108.800 0.015 0.000 2.446 140 G HA2 -0.204 3.738 3.960 -0.031 0.000 0.217 140 G HA3 -0.204 3.738 3.960 -0.031 0.000 0.217 140 G C 1.577 176.483 174.900 0.010 0.000 1.168 140 G CA 0.840 45.930 45.100 -0.017 0.000 0.771 140 G HN 0.657 nan 8.290 nan 0.000 0.551 141 G N 0.004 108.830 108.800 0.045 0.000 2.422 141 G HA2 -0.124 3.818 3.960 -0.031 0.000 0.218 141 G HA3 -0.124 3.818 3.960 -0.031 0.000 0.218 141 G C 1.848 176.789 174.900 0.069 0.000 1.146 141 G CA 1.721 46.853 45.100 0.053 0.000 0.769 141 G HN 0.389 nan 8.290 nan 0.000 0.547 142 T N 0.797 115.414 114.554 0.105 0.000 2.746 142 T HA -0.108 4.223 4.350 -0.031 0.000 0.267 142 T C 2.537 177.268 174.700 0.051 0.000 1.039 142 T CA 1.267 63.442 62.100 0.124 0.000 1.142 142 T CB -0.231 68.768 68.868 0.218 0.000 0.866 142 T HN 0.067 nan 8.240 nan 0.000 0.444 143 V N 1.551 121.469 119.914 0.006 0.000 2.358 143 V HA -0.107 3.995 4.120 -0.031 0.000 0.246 143 V C 2.871 178.970 176.094 0.007 0.000 1.047 143 V CA 1.566 63.854 62.300 -0.020 0.000 1.035 143 V CB -1.138 30.637 31.823 -0.080 0.000 0.658 143 V HN 0.517 nan 8.190 nan 0.000 0.452 144 A N 0.081 122.900 122.820 -0.002 0.000 1.933 144 A HA -0.256 4.045 4.320 -0.031 0.000 0.218 144 A C 2.402 179.981 177.584 -0.009 0.000 1.175 144 A CA 2.060 54.091 52.037 -0.011 0.000 0.628 144 A CB -0.561 18.433 19.000 -0.011 0.000 0.814 144 A HN 0.498 nan 8.150 nan 0.000 0.444 145 R N -2.123 118.385 120.500 0.013 0.000 2.073 145 R HA -0.190 4.132 4.340 -0.031 0.000 0.234 145 R C 2.073 178.362 176.300 -0.019 0.000 1.134 145 R CA 1.982 58.086 56.100 0.007 0.000 0.952 145 R CB -0.506 29.820 30.300 0.043 0.000 0.850 145 R HN 0.579 nan 8.270 nan 0.000 0.433 146 Y N 1.274 121.496 120.300 -0.130 0.000 2.163 146 Y HA -0.198 4.332 4.550 -0.033 0.000 0.288 146 Y C 2.602 178.371 175.900 -0.218 0.000 1.136 146 Y CA 2.337 60.324 58.100 -0.188 0.000 1.147 146 Y CB -0.296 38.008 38.460 -0.260 0.000 0.987 146 Y HN 0.305 nan 8.280 nan 0.000 0.509 147 T N -3.093 111.447 114.554 -0.024 0.000 2.821 147 T HA -0.067 4.264 4.350 -0.031 0.000 0.267 147 T C 2.176 176.760 174.700 -0.193 0.000 1.046 147 T CA 1.084 63.121 62.100 -0.104 0.000 1.139 147 T CB -1.173 67.675 68.868 -0.034 0.000 0.871 147 T HN 0.368 nan 8.240 nan 0.000 0.454 148 G N 1.148 109.856 108.800 -0.153 0.000 2.408 148 G HA2 0.122 4.064 3.960 -0.031 0.000 0.217 148 G HA3 0.122 4.064 3.960 -0.031 0.000 0.217 148 G C 1.895 176.666 174.900 -0.215 0.000 1.150 148 G CA 0.695 45.705 45.100 -0.149 0.000 0.776 148 G HN 0.726 nan 8.290 nan 0.000 0.542 149 A N 1.160 123.804 122.820 -0.293 0.000 1.930 149 A HA 0.313 4.615 4.320 -0.031 0.000 0.217 149 A C 2.793 180.020 177.584 -0.595 0.000 1.175 149 A CA 2.109 53.934 52.037 -0.353 0.000 0.627 149 A CB -0.705 18.101 19.000 -0.324 0.000 0.815 149 A HN 0.703 nan 8.150 nan 0.000 0.443 150 A N -0.706 121.555 122.820 -0.932 0.000 1.902 150 A HA -0.217 4.085 4.320 -0.031 0.000 0.217 150 A C 2.198 179.517 177.584 -0.442 0.000 1.181 150 A CA 1.823 53.222 52.037 -1.064 0.000 0.623 150 A CB -0.617 17.816 19.000 -0.945 0.000 0.818 150 A HN 0.655 nan 8.150 nan 0.000 0.443 151 Q N -0.489 119.127 119.800 -0.307 0.000 2.096 151 Q HA -0.137 4.184 4.340 -0.031 0.000 0.204 151 Q C 2.081 177.995 176.000 -0.143 0.000 0.982 151 Q CA 1.690 57.387 55.803 -0.177 0.000 0.850 151 Q CB -0.365 28.291 28.738 -0.137 0.000 0.901 151 Q HN 0.602 nan 8.270 nan 0.000 0.422 152 A N 0.226 122.954 122.820 -0.155 0.000 2.019 152 A HA -0.006 4.295 4.320 -0.031 0.000 0.219 152 A C 2.021 179.559 177.584 -0.076 0.000 1.164 152 A CA 1.391 53.367 52.037 -0.102 0.000 0.644 152 A CB -0.540 18.404 19.000 -0.093 0.000 0.805 152 A HN 0.506 nan 8.150 nan 0.000 0.449 153 A N -1.542 121.224 122.820 -0.090 0.000 2.275 153 A HA 0.436 4.738 4.320 -0.031 0.000 0.212 153 A C 1.615 179.184 177.584 -0.025 0.000 1.201 153 A CA 0.967 52.993 52.037 -0.018 0.000 0.843 153 A CB -0.970 18.084 19.000 0.089 0.000 0.873 153 A HN 1.818 nan 8.150 nan 0.000 0.492 154 G N -1.519 107.245 108.800 -0.060 0.000 2.246 154 G HA2 0.144 4.085 3.960 -0.031 0.000 0.273 154 G HA3 0.144 4.085 3.960 -0.031 0.000 0.273 154 G C 0.202 175.067 174.900 -0.058 0.000 1.055 154 G CA 0.550 45.615 45.100 -0.059 0.000 0.851 154 G HN 1.710 nan 8.290 nan 0.000 0.500 155 A N -1.098 121.684 122.820 -0.064 0.000 2.469 155 A HA 0.906 5.208 4.320 -0.031 0.000 0.299 155 A C -0.247 177.311 177.584 -0.042 0.000 1.098 155 A CA -0.292 51.727 52.037 -0.030 0.000 0.737 155 A CB 1.466 20.526 19.000 0.100 0.000 1.312 155 A HN 1.291 nan 8.150 nan 0.000 0.414 156 M N 3.198 122.804 119.600 0.010 0.000 2.084 156 M HA 0.438 4.899 4.480 -0.031 0.000 0.351 156 M C -2.421 174.007 176.300 0.213 0.000 1.240 156 M CA -2.381 52.967 55.300 0.079 0.000 1.083 156 M CB 0.802 33.459 32.600 0.094 0.000 1.593 156 M HN 0.393 nan 8.290 nan 0.000 0.463 157 P HA 0.234 nan 4.420 nan 0.000 0.278 157 P C -1.339 176.138 177.300 0.294 0.000 1.238 157 P CA -0.342 62.919 63.100 0.267 0.000 0.794 157 P CB 0.906 32.706 31.700 0.167 0.000 0.955 158 V N 4.174 124.291 119.914 0.338 0.000 2.444 158 V HA 0.369 4.471 4.120 -0.031 0.000 0.294 158 V C 0.255 176.442 176.094 0.154 0.000 1.022 158 V CA -0.526 61.890 62.300 0.193 0.000 0.850 158 V CB 1.269 33.154 31.823 0.104 0.000 0.992 158 V HN 0.384 nan 8.190 nan 0.000 0.426 159 L N 3.766 125.024 121.223 0.059 0.000 2.346 159 L HA 0.678 4.999 4.340 -0.031 0.000 0.276 159 L C 0.118 176.914 176.870 -0.123 0.000 1.006 159 L CA -0.186 54.639 54.840 -0.025 0.000 0.817 159 L CB 2.384 44.424 42.059 -0.031 0.000 1.272 159 L HN 0.557 nan 8.230 nan 0.000 0.421 160 T N 3.942 118.337 114.554 -0.266 0.000 2.770 160 T HA 0.526 4.857 4.350 -0.031 0.000 0.283 160 T C -0.218 174.363 174.700 -0.198 0.000 0.988 160 T CA -0.436 61.392 62.100 -0.452 0.000 0.957 160 T CB 0.708 68.831 68.868 -1.242 0.000 0.930 160 T HN 0.261 nan 8.240 nan 0.000 0.443 161 L N 3.883 125.103 121.223 -0.004 0.000 2.265 161 L HA 0.408 4.729 4.340 -0.031 0.000 0.288 161 L C -0.610 176.544 176.870 0.474 0.000 1.058 161 L CA -0.701 54.327 54.840 0.314 0.000 0.809 161 L CB 0.438 42.670 42.059 0.289 0.000 1.179 161 L HN 0.675 nan 8.230 nan 0.000 0.429 162 Y N 2.518 123.077 120.300 0.432 0.000 2.558 162 Y HA 0.413 4.943 4.550 -0.033 0.000 0.316 162 Y C 0.597 176.645 175.900 0.246 0.000 0.967 162 Y CA -1.107 57.195 58.100 0.337 0.000 1.126 162 Y CB 1.011 39.739 38.460 0.447 0.000 1.155 162 Y HN 0.530 nan 8.280 nan 0.000 0.628 163 G N 1.076 110.005 108.800 0.216 0.000 3.441 163 G HA2 0.105 4.046 3.960 -0.031 0.000 0.263 163 G HA3 0.105 4.046 3.960 -0.031 0.000 0.263 163 G C -0.061 174.892 174.900 0.088 0.000 1.014 163 G CA -0.159 44.892 45.100 -0.080 0.000 0.833 163 G HN 0.338 nan 8.290 nan 0.000 0.514 164 I N 1.897 122.452 120.570 -0.025 0.000 2.815 164 I HA 0.225 4.376 4.170 -0.031 0.000 0.291 164 I C -1.985 173.976 176.117 -0.261 0.000 1.209 164 I CA -2.269 58.839 61.300 -0.320 0.000 1.431 164 I CB 0.957 38.811 38.000 -0.245 0.000 1.351 164 I HN -0.099 nan 8.210 nan 0.000 0.585 165 P HA 0.034 nan 4.420 nan 0.000 0.266 165 P C -0.797 176.223 177.300 -0.468 0.000 1.195 165 P CA 0.555 63.397 63.100 -0.429 0.000 0.768 165 P CB 0.186 31.581 31.700 -0.508 0.000 0.838 166 H N -0.807 118.208 119.070 -0.091 0.000 2.839 166 H HA -0.187 4.350 4.556 -0.031 0.000 0.298 166 H C 0.450 175.725 175.328 -0.088 0.000 1.224 166 H CA 0.388 56.387 56.048 -0.082 0.000 1.144 166 H CB -1.823 27.896 29.762 -0.072 0.000 1.372 166 H HN 0.545 nan 8.280 nan 0.000 0.408 167 R N 1.177 121.622 120.500 -0.091 0.000 2.537 167 R HA 0.025 4.347 4.340 -0.031 0.000 0.281 167 R C 0.559 176.830 176.300 -0.050 0.000 0.988 167 R CA 1.167 57.186 56.100 -0.135 0.000 1.077 167 R CB 0.216 30.326 30.300 -0.317 0.000 0.932 167 R HN 0.336 nan 8.270 nan 0.000 0.409 168 D N 2.182 122.594 120.400 0.020 0.000 3.059 168 D HA -0.222 4.399 4.640 -0.031 0.000 0.220 168 D C -0.355 175.977 176.300 0.053 0.000 1.169 168 D CA 1.332 55.380 54.000 0.081 0.000 0.902 168 D CB -1.165 39.696 40.800 0.102 0.000 1.116 168 D HN 0.807 nan 8.370 nan 0.000 0.417 169 c N -1.597 117.031 118.600 0.047 0.000 4.165 169 c HA 0.023 4.574 4.570 -0.031 0.000 0.299 169 c C 1.898 175.991 174.090 0.005 0.000 1.445 169 c CA 1.218 57.566 56.329 0.030 0.000 2.029 169 c CB -2.288 40.240 42.510 0.031 0.000 1.288 169 c HN 1.425 nan 8.230 nan 0.000 0.752 170 G N -0.451 108.352 108.800 0.005 0.000 2.143 170 G HA2 -0.202 3.739 3.960 -0.031 0.000 0.248 170 G HA3 -0.202 3.739 3.960 -0.031 0.000 0.248 170 G C 0.355 175.229 174.900 -0.044 0.000 0.991 170 G CA 0.964 46.056 45.100 -0.013 0.000 0.689 170 G HN 1.207 nan 8.290 nan 0.000 0.522 171 S N -1.835 113.833 115.700 -0.053 0.000 2.414 171 S HA 0.574 5.025 4.470 -0.031 0.000 0.267 171 S C 1.676 176.221 174.600 -0.091 0.000 1.165 171 S CA 0.431 58.533 58.200 -0.163 0.000 1.028 171 S CB 0.282 63.390 63.200 -0.155 0.000 1.154 171 S HN 0.305 nan 8.310 nan 0.000 0.472 172 Y N 0.723 121.110 120.300 0.146 0.000 2.256 172 Y HA 0.104 4.635 4.550 -0.031 0.000 0.288 172 Y C 1.980 177.952 175.900 0.121 0.000 1.155 172 Y CA 0.965 59.147 58.100 0.136 0.000 1.203 172 Y CB -0.637 37.934 38.460 0.185 0.000 0.980 172 Y HN 0.498 nan 8.280 nan 0.000 0.530 173 A N 0.105 123.084 122.820 0.264 0.000 2.708 173 A HA 0.302 4.604 4.320 -0.031 0.000 0.293 173 A C 0.725 178.364 177.584 0.091 0.000 1.303 173 A CA -0.064 52.102 52.037 0.214 0.000 0.949 173 A CB -0.966 18.236 19.000 0.336 0.000 1.121 173 A HN 0.236 nan 8.150 nan 0.000 0.542 174 S N -0.550 115.181 115.700 0.052 0.000 2.558 174 S HA 0.503 4.954 4.470 -0.031 0.000 0.287 174 S C 0.675 175.242 174.600 -0.055 0.000 1.321 174 S CA 0.528 58.722 58.200 -0.011 0.000 1.048 174 S CB 0.904 64.102 63.200 -0.004 0.000 0.844 174 S HN 1.848 nan 8.310 nan 0.000 0.512 175 G N 0.929 109.664 108.800 -0.109 0.000 2.491 175 G HA2 0.585 4.526 3.960 -0.031 0.000 0.183 175 G HA3 0.585 4.526 3.960 -0.031 0.000 0.183 175 G C 0.101 174.859 174.900 -0.236 0.000 1.221 175 G CA 0.101 45.100 45.100 -0.168 0.000 0.996 175 G HN 2.491 nan 8.290 nan 0.000 0.474 176 G N -1.452 107.150 108.800 -0.330 0.000 2.829 176 G HA2 0.292 4.234 3.960 -0.031 0.000 0.628 176 G HA3 0.292 4.234 3.960 -0.031 0.000 0.628 176 G C -0.189 174.458 174.900 -0.422 0.000 1.412 176 G CA -0.022 44.857 45.100 -0.367 0.000 0.864 176 G HN 1.376 nan 8.290 nan 0.000 0.544 177 F N 0.750 120.566 119.950 -0.222 0.000 2.490 177 F HA 0.454 4.964 4.527 -0.029 0.000 0.336 177 F C 1.986 177.685 175.800 -0.168 0.000 1.178 177 F CA 0.808 58.704 58.000 -0.174 0.000 1.301 177 F CB 0.937 39.863 39.000 -0.123 0.000 1.175 177 F HN 0.809 nan 8.300 nan 0.000 0.593 178 A N 0.778 123.640 122.820 0.070 0.000 1.929 178 A HA 0.053 4.355 4.320 -0.031 0.000 0.216 178 A C 0.929 178.488 177.584 -0.042 0.000 1.176 178 A CA 1.685 53.713 52.037 -0.015 0.000 0.628 178 A CB -0.722 18.287 19.000 0.015 0.000 0.816 178 A HN 0.737 nan 8.150 nan 0.000 0.444 179 T N -6.204 108.357 114.554 0.011 0.000 2.883 179 T HA 0.544 4.875 4.350 -0.031 0.000 0.296 179 T C 1.109 175.812 174.700 0.004 0.000 1.117 179 T CA 0.122 62.214 62.100 -0.013 0.000 1.006 179 T CB 1.264 70.135 68.868 0.005 0.000 1.191 179 T HN 0.382 nan 8.240 nan 0.000 0.508 180 G N 0.511 109.302 108.800 -0.015 0.000 2.422 180 G HA2 -0.128 3.813 3.960 -0.031 0.000 0.218 180 G HA3 -0.128 3.813 3.960 -0.031 0.000 0.218 180 G C 1.307 176.204 174.900 -0.005 0.000 1.146 180 G CA 1.397 46.498 45.100 0.001 0.000 0.769 180 G HN 0.799 nan 8.290 nan 0.000 0.547 181 T N 1.087 115.623 114.554 -0.030 0.000 2.684 181 T HA -0.116 4.215 4.350 -0.031 0.000 0.267 181 T C 2.023 176.683 174.700 -0.067 0.000 1.036 181 T CA 1.551 63.617 62.100 -0.055 0.000 1.148 181 T CB -0.286 68.560 68.868 -0.036 0.000 0.863 181 T HN 0.220 nan 8.240 nan 0.000 0.436 182 D N -0.115 120.256 120.400 -0.048 0.000 2.097 182 D HA -0.081 4.541 4.640 -0.031 0.000 0.195 182 D C 1.764 177.882 176.300 -0.304 0.000 0.989 182 D CA 1.029 54.954 54.000 -0.126 0.000 0.827 182 D CB -0.442 40.351 40.800 -0.011 0.000 0.966 182 D HN 0.430 nan 8.370 nan 0.000 0.456 183 Y N 1.884 122.015 120.300 -0.282 0.000 2.181 183 Y HA -0.165 4.365 4.550 -0.033 0.000 0.288 183 Y C 2.343 178.200 175.900 -0.070 0.000 1.146 183 Y CA 1.569 59.530 58.100 -0.231 0.000 1.164 183 Y CB -0.015 38.419 38.460 -0.044 0.000 0.982 183 Y HN -0.168 nan 8.280 nan 0.000 0.515 184 R N -0.597 119.856 120.500 -0.080 0.000 2.096 184 R HA -0.125 4.197 4.340 -0.031 0.000 0.235 184 R C 2.588 178.823 176.300 -0.109 0.000 1.127 184 R CA 1.229 57.191 56.100 -0.231 0.000 0.968 184 R CB -0.916 29.052 30.300 -0.553 0.000 0.861 184 R HN 0.489 nan 8.270 nan 0.000 0.440 185 G N 0.008 108.739 108.800 -0.116 0.000 2.408 185 G HA2 -0.275 3.666 3.960 -0.031 0.000 0.217 185 G HA3 -0.275 3.666 3.960 -0.031 0.000 0.217 185 G C 1.044 175.919 174.900 -0.042 0.000 1.150 185 G CA 0.358 45.422 45.100 -0.061 0.000 0.776 185 G HN 0.391 nan 8.290 nan 0.000 0.542 186 W N 1.213 122.282 121.300 -0.386 0.000 2.355 186 W HA -0.056 4.588 4.660 -0.028 0.000 0.309 186 W C 2.264 178.621 176.519 -0.269 0.000 1.206 186 W CA 1.038 58.144 57.345 -0.399 0.000 1.284 186 W CB -0.194 28.815 29.460 -0.752 0.000 1.145 186 W HN 0.061 nan 8.180 nan 0.000 0.502 187 I N 0.858 121.313 120.570 -0.192 0.000 2.208 187 I HA -0.291 3.860 4.170 -0.031 0.000 0.245 187 I C 1.867 177.907 176.117 -0.129 0.000 1.097 187 I CA 1.852 63.021 61.300 -0.218 0.000 1.363 187 I CB -1.598 36.401 38.000 -0.002 0.000 1.051 187 I HN 0.014 nan 8.210 nan 0.000 0.413 188 D N 1.063 121.458 120.400 -0.009 0.000 2.123 188 D HA -0.132 4.489 4.640 -0.031 0.000 0.196 188 D C 2.271 178.526 176.300 -0.075 0.000 0.992 188 D CA 1.615 55.610 54.000 -0.010 0.000 0.833 188 D CB -0.079 40.747 40.800 0.044 0.000 0.954 188 D HN 0.322 nan 8.370 nan 0.000 0.455 189 A N 0.600 123.359 122.820 -0.102 0.000 1.898 189 A HA -0.112 4.189 4.320 -0.031 0.000 0.216 189 A C 2.552 180.030 177.584 -0.176 0.000 1.181 189 A CA 1.097 53.070 52.037 -0.108 0.000 0.620 189 A CB -0.750 18.208 19.000 -0.070 0.000 0.819 189 A HN 0.133 nan 8.150 nan 0.000 0.442 190 V N 0.013 119.736 119.914 -0.319 0.000 2.287 190 V HA -0.296 3.805 4.120 -0.031 0.000 0.248 190 V C 3.065 179.034 176.094 -0.209 0.000 1.053 190 V CA 2.088 64.182 62.300 -0.344 0.000 1.027 190 V CB -1.248 30.247 31.823 -0.546 0.000 0.646 190 V HN 0.618 nan 8.190 nan 0.000 0.447 191 A N -0.846 121.866 122.820 -0.180 0.000 1.933 191 A HA -0.237 4.064 4.320 -0.031 0.000 0.218 191 A C 2.551 180.078 177.584 -0.095 0.000 1.175 191 A CA 2.171 54.131 52.037 -0.128 0.000 0.628 191 A CB -0.758 18.169 19.000 -0.121 0.000 0.814 191 A HN 0.496 nan 8.150 nan 0.000 0.444 192 S N -0.628 115.021 115.700 -0.085 0.000 2.382 192 S HA -0.040 4.412 4.470 -0.031 0.000 0.228 192 S C 1.958 176.525 174.600 -0.055 0.000 1.027 192 S CA 1.733 59.898 58.200 -0.059 0.000 0.991 192 S CB -0.544 62.629 63.200 -0.044 0.000 0.823 192 S HN 0.685 nan 8.310 nan 0.000 0.469 193 G N 0.884 109.643 108.800 -0.068 0.000 2.464 193 G HA2 0.036 3.978 3.960 -0.031 0.000 0.217 193 G HA3 0.036 3.978 3.960 -0.031 0.000 0.217 193 G C 1.385 176.252 174.900 -0.055 0.000 1.138 193 G CA 0.399 45.466 45.100 -0.055 0.000 0.793 193 G HN 0.505 nan 8.290 nan 0.000 0.539 194 L N 0.329 121.511 121.223 -0.069 0.000 2.056 194 L HA 0.112 4.433 4.340 -0.031 0.000 0.207 194 L C 2.487 179.327 176.870 -0.051 0.000 1.078 194 L CA 0.746 55.550 54.840 -0.060 0.000 0.749 194 L CB -0.821 41.196 42.059 -0.070 0.000 0.901 194 L HN 0.426 nan 8.230 nan 0.000 0.433 195 G N 0.421 109.190 108.800 -0.052 0.000 2.660 195 G HA2 -0.442 3.499 3.960 -0.031 0.000 0.321 195 G HA3 -0.442 3.499 3.960 -0.031 0.000 0.321 195 G C 0.674 175.546 174.900 -0.045 0.000 1.246 195 G CA 0.755 45.828 45.100 -0.045 0.000 1.000 195 G HN 0.496 nan 8.290 nan 0.000 0.550 196 S N -0.128 115.547 115.700 -0.042 0.000 2.601 196 S HA 0.574 5.025 4.470 -0.031 0.000 0.244 196 S C 0.644 175.219 174.600 -0.041 0.000 1.001 196 S CA 0.836 59.011 58.200 -0.041 0.000 0.984 196 S CB 0.172 63.350 63.200 -0.038 0.000 0.842 196 S HN 1.900 nan 8.310 nan 0.000 0.474 197 S N 1.617 117.292 115.700 -0.043 0.000 2.584 197 S HA 0.536 4.987 4.470 -0.031 0.000 0.273 197 S C -3.002 171.575 174.600 -0.038 0.000 1.311 197 S CA -1.321 56.852 58.200 -0.045 0.000 1.034 197 S CB 0.122 63.292 63.200 -0.049 0.000 0.939 197 S HN 0.106 nan 8.310 nan 0.000 0.513 198 P HA 0.456 nan 4.420 nan 0.000 0.267 198 P C -0.908 176.389 177.300 -0.006 0.000 1.205 198 P CA 0.057 63.143 63.100 -0.024 0.000 0.765 198 P CB 0.641 32.322 31.700 -0.032 0.000 0.828 199 A N 2.230 125.061 122.820 0.019 0.000 2.605 199 A HA 0.633 4.934 4.320 -0.031 0.000 0.294 199 A C -0.959 176.674 177.584 0.082 0.000 1.062 199 A CA -0.431 51.638 52.037 0.053 0.000 0.682 199 A CB 0.934 19.953 19.000 0.033 0.000 1.278 199 A HN 0.336 nan 8.150 nan 0.000 0.410 200 T N 2.080 116.712 114.554 0.130 0.000 2.771 200 T HA 0.615 4.946 4.350 -0.031 0.000 0.281 200 T C -0.377 174.398 174.700 0.126 0.000 0.982 200 T CA 0.063 62.266 62.100 0.171 0.000 0.978 200 T CB 0.179 69.175 68.868 0.213 0.000 0.930 200 T HN 0.419 nan 8.240 nan 0.000 0.447 201 I N 4.356 125.002 120.570 0.127 0.000 2.418 201 I HA 0.399 4.550 4.170 -0.031 0.000 0.287 201 I C -0.565 175.617 176.117 0.109 0.000 1.008 201 I CA -1.029 60.311 61.300 0.066 0.000 1.104 201 I CB 1.672 39.682 38.000 0.016 0.000 1.264 201 I HN 0.352 nan 8.210 nan 0.000 0.438 202 I N 7.150 127.742 120.570 0.037 0.000 2.297 202 I HA 0.226 4.377 4.170 -0.031 0.000 0.291 202 I C 0.107 176.235 176.117 0.019 0.000 1.033 202 I CA -0.615 60.702 61.300 0.028 0.000 1.253 202 I CB 1.296 39.239 38.000 -0.095 0.000 1.396 202 I HN 0.174 nan 8.210 nan 0.000 0.476 203 V N 7.094 127.062 119.914 0.090 0.000 2.353 203 V HA 0.208 4.309 4.120 -0.031 0.000 0.264 203 V C 0.308 176.496 176.094 0.156 0.000 1.049 203 V CA -0.539 61.841 62.300 0.134 0.000 0.896 203 V CB 0.012 31.921 31.823 0.142 0.000 1.025 203 V HN 0.744 nan 8.190 nan 0.000 0.475 204 E N 3.199 123.523 120.200 0.206 0.000 2.393 204 E HA -0.160 4.171 4.350 -0.031 0.000 0.169 204 E C -2.355 174.376 176.600 0.218 0.000 1.591 204 E CA 0.005 56.566 56.400 0.268 0.000 0.661 204 E CB -1.068 28.780 29.700 0.247 0.000 1.097 204 E HN 0.537 nan 8.360 nan 0.000 0.356 205 P HA -0.075 nan 4.420 nan 0.000 0.260 205 P C 0.383 177.843 177.300 0.266 0.000 1.172 205 P CA 0.741 63.936 63.100 0.158 0.000 0.760 205 P CB 0.463 32.192 31.700 0.048 0.000 0.773 206 D N 1.106 121.600 120.400 0.158 0.000 2.603 206 D HA -0.234 4.387 4.640 -0.031 0.000 0.180 206 D C 1.264 177.562 176.300 -0.002 0.000 0.972 206 D CA 1.825 55.878 54.000 0.088 0.000 1.022 206 D CB -1.687 39.308 40.800 0.325 0.000 1.079 206 D HN 0.432 nan 8.370 nan 0.000 0.455 207 A N 0.698 123.557 122.820 0.066 0.000 1.858 207 A HA -0.029 4.273 4.320 -0.031 0.000 0.216 207 A C 2.484 180.078 177.584 0.016 0.000 1.190 207 A CA 1.705 53.775 52.037 0.054 0.000 0.617 207 A CB -0.626 18.422 19.000 0.080 0.000 0.827 207 A HN 0.340 nan 8.150 nan 0.000 0.443 208 L N -0.975 120.244 121.223 -0.007 0.000 2.093 208 L HA -0.136 4.185 4.340 -0.031 0.000 0.208 208 L C 3.035 179.811 176.870 -0.156 0.000 1.085 208 L CA 0.996 55.840 54.840 0.006 0.000 0.755 208 L CB -0.542 41.474 42.059 -0.072 0.000 0.904 208 L HN 0.447 nan 8.230 nan 0.000 0.435 209 A N -0.699 121.860 122.820 -0.435 0.000 1.968 209 A HA -0.165 4.137 4.320 -0.031 0.000 0.217 209 A C 2.195 179.342 177.584 -0.727 0.000 1.169 209 A CA 1.273 52.749 52.037 -0.936 0.000 0.638 209 A CB -0.312 17.532 19.000 -1.927 0.000 0.812 209 A HN 0.392 nan 8.150 nan 0.000 0.446 210 M N -0.724 118.674 119.600 -0.337 0.000 2.495 210 M HA 0.217 4.678 4.480 -0.031 0.000 0.237 210 M C 1.759 178.084 176.300 0.040 0.000 1.131 210 M CA 0.556 55.892 55.300 0.059 0.000 1.032 210 M CB 0.030 32.758 32.600 0.213 0.000 1.513 210 M HN 0.437 nan 8.290 nan 0.000 0.488 211 A N 0.298 123.115 122.820 -0.004 0.000 2.070 211 A HA -0.163 4.138 4.320 -0.031 0.000 0.220 211 A C 1.428 178.993 177.584 -0.031 0.000 1.159 211 A CA 1.584 53.609 52.037 -0.020 0.000 0.656 211 A CB -0.523 18.480 19.000 0.004 0.000 0.800 211 A HN 0.476 nan 8.150 nan 0.000 0.453 212 D N -0.273 120.137 120.400 0.016 0.000 2.310 212 D HA -0.132 4.489 4.640 -0.031 0.000 0.212 212 D C 2.016 178.321 176.300 0.008 0.000 0.965 212 D CA 1.372 55.383 54.000 0.018 0.000 0.879 212 D CB -0.644 40.187 40.800 0.051 0.000 0.921 212 D HN 0.731 nan 8.370 nan 0.000 0.510 213 c N -0.027 118.584 118.600 0.018 0.000 2.422 213 c HA 0.098 4.650 4.570 -0.031 0.000 0.286 213 c C 1.261 175.324 174.090 -0.045 0.000 1.412 213 c CA -0.576 55.754 56.329 0.001 0.000 1.786 213 c CB -1.397 41.124 42.510 0.019 0.000 1.835 213 c HN 0.044 nan 8.230 nan 0.000 0.533 214 L N 2.356 123.538 121.223 -0.069 0.000 2.399 214 L HA 0.372 4.694 4.340 -0.031 0.000 0.265 214 L C 1.021 177.828 176.870 -0.106 0.000 1.089 214 L CA -0.075 54.696 54.840 -0.115 0.000 0.802 214 L CB 0.971 42.947 42.059 -0.138 0.000 1.180 214 L HN 0.373 nan 8.230 nan 0.000 0.454 215 S N 0.490 116.120 115.700 -0.116 0.000 2.584 215 S HA 0.158 4.610 4.470 -0.031 0.000 0.270 215 S C -1.899 172.643 174.600 -0.098 0.000 1.346 215 S CA -0.966 57.179 58.200 -0.091 0.000 1.018 215 S CB 0.782 63.929 63.200 -0.088 0.000 0.899 215 S HN 0.417 nan 8.310 nan 0.000 0.542 216 P HA -0.095 nan 4.420 nan 0.000 0.216 216 P C 0.589 177.832 177.300 -0.094 0.000 1.150 216 P CA 1.363 64.417 63.100 -0.077 0.000 0.843 216 P CB -0.053 31.622 31.700 -0.043 0.000 0.787 217 D N -1.305 119.049 120.400 -0.077 0.000 2.149 217 D HA -0.100 4.521 4.640 -0.031 0.000 0.201 217 D C 2.114 178.360 176.300 -0.090 0.000 0.972 217 D CA 0.948 54.906 54.000 -0.069 0.000 0.835 217 D CB -0.513 40.260 40.800 -0.045 0.000 0.966 217 D HN 0.250 nan 8.370 nan 0.000 0.476 218 Q N -0.056 119.682 119.800 -0.102 0.000 2.167 218 Q HA -0.081 4.240 4.340 -0.031 0.000 0.202 218 Q C 2.162 178.057 176.000 -0.175 0.000 0.970 218 Q CA 0.768 56.510 55.803 -0.102 0.000 0.855 218 Q CB 0.099 28.762 28.738 -0.124 0.000 0.911 218 Q HN 0.157 nan 8.270 nan 0.000 0.438 219 R N 0.431 120.776 120.500 -0.257 0.000 2.066 219 R HA -0.206 4.115 4.340 -0.031 0.000 0.232 219 R C 2.229 178.100 176.300 -0.715 0.000 1.131 219 R CA 1.547 57.343 56.100 -0.507 0.000 0.955 219 R CB 0.043 30.075 30.300 -0.447 0.000 0.851 219 R HN 0.083 nan 8.270 nan 0.000 0.432 220 Q N 0.884 120.455 119.800 -0.381 0.000 2.119 220 Q HA -0.185 4.137 4.340 -0.031 0.000 0.201 220 Q C 1.710 177.644 176.000 -0.111 0.000 0.972 220 Q CA 2.034 57.717 55.803 -0.200 0.000 0.847 220 Q CB -0.091 28.616 28.738 -0.051 0.000 0.903 220 Q HN 0.438 nan 8.270 nan 0.000 0.433 221 E N -0.171 119.963 120.200 -0.110 0.000 2.058 221 E HA -0.292 4.040 4.350 -0.031 0.000 0.194 221 E C 2.065 178.629 176.600 -0.059 0.000 0.997 221 E CA 1.315 57.681 56.400 -0.056 0.000 0.801 221 E CB -0.172 29.502 29.700 -0.043 0.000 0.746 221 E HN 0.342 nan 8.360 nan 0.000 0.450 222 R N -0.635 119.782 120.500 -0.139 0.000 2.081 222 R HA -0.158 4.164 4.340 -0.031 0.000 0.235 222 R C 2.203 178.536 176.300 0.055 0.000 1.131 222 R CA 1.726 57.763 56.100 -0.105 0.000 0.960 222 R CB -0.315 29.885 30.300 -0.167 0.000 0.856 222 R HN 0.168 nan 8.270 nan 0.000 0.436 223 F N 1.750 121.695 119.950 -0.008 0.000 2.134 223 F HA -0.154 4.355 4.527 -0.031 0.000 0.299 223 F C 2.039 177.857 175.800 0.030 0.000 1.097 223 F CA 1.087 59.088 58.000 0.002 0.000 1.264 223 F CB -0.922 38.075 39.000 -0.005 0.000 1.001 223 F HN 0.087 nan 8.300 nan 0.000 0.479 224 D N 0.238 120.761 120.400 0.205 0.000 2.149 224 D HA -0.148 4.473 4.640 -0.031 0.000 0.198 224 D C 2.520 178.930 176.300 0.183 0.000 0.990 224 D CA 0.975 55.070 54.000 0.158 0.000 0.839 224 D CB -0.512 40.350 40.800 0.103 0.000 0.948 224 D HN 0.246 nan 8.370 nan 0.000 0.460 225 L N 0.173 121.484 121.223 0.147 0.000 2.109 225 L HA -0.106 4.216 4.340 -0.031 0.000 0.207 225 L C 2.490 179.540 176.870 0.300 0.000 1.086 225 L CA 0.478 55.438 54.840 0.201 0.000 0.760 225 L CB -0.256 41.797 42.059 -0.010 0.000 0.910 225 L HN -0.060 nan 8.230 nan 0.000 0.437 226 V N -0.178 119.862 119.914 0.210 0.000 2.358 226 V HA -0.259 3.842 4.120 -0.031 0.000 0.246 226 V C 2.641 178.850 176.094 0.192 0.000 1.047 226 V CA 1.684 64.112 62.300 0.213 0.000 1.035 226 V CB -0.641 31.280 31.823 0.165 0.000 0.658 226 V HN 0.435 nan 8.190 nan 0.000 0.452 227 R N -1.017 119.586 120.500 0.172 0.000 2.105 227 R HA -0.235 4.086 4.340 -0.031 0.000 0.239 227 R C 2.354 178.738 176.300 0.142 0.000 1.135 227 R CA 2.032 58.208 56.100 0.128 0.000 0.967 227 R CB -0.446 29.922 30.300 0.114 0.000 0.861 227 R HN 0.595 nan 8.270 nan 0.000 0.442 228 Y N 0.583 120.945 120.300 0.103 0.000 2.181 228 Y HA -0.218 4.324 4.550 -0.013 0.000 0.288 228 Y C 2.133 178.085 175.900 0.087 0.000 1.146 228 Y CA 1.694 59.851 58.100 0.095 0.000 1.164 228 Y CB -0.424 38.110 38.460 0.123 0.000 0.982 228 Y HN 0.200 nan 8.280 nan 0.000 0.515 229 A N -0.694 122.262 122.820 0.227 0.000 1.883 229 A HA -0.188 4.113 4.320 -0.031 0.000 0.217 229 A C 2.359 179.939 177.584 -0.006 0.000 1.186 229 A CA 2.170 54.280 52.037 0.121 0.000 0.624 229 A CB -1.375 17.778 19.000 0.255 0.000 0.822 229 A HN 0.330 nan 8.150 nan 0.000 0.444 230 V N 0.648 120.571 119.914 0.016 0.000 2.261 230 V HA -0.257 3.844 4.120 -0.031 0.000 0.246 230 V C 2.190 178.237 176.094 -0.078 0.000 1.047 230 V CA 2.396 64.683 62.300 -0.021 0.000 1.015 230 V CB -0.849 30.975 31.823 0.000 0.000 0.642 230 V HN 0.505 nan 8.190 nan 0.000 0.446 231 D N -0.339 119.996 120.400 -0.108 0.000 2.178 231 D HA -0.114 4.508 4.640 -0.031 0.000 0.201 231 D C 2.238 178.413 176.300 -0.208 0.000 0.980 231 D CA 1.766 55.678 54.000 -0.146 0.000 0.842 231 D CB -0.205 40.501 40.800 -0.157 0.000 0.948 231 D HN 0.444 nan 8.370 nan 0.000 0.472 232 T N 0.301 114.674 114.554 -0.302 0.000 2.939 232 T HA 0.097 4.428 4.350 -0.031 0.000 0.254 232 T C 2.220 176.810 174.700 -0.182 0.000 1.041 232 T CA 0.158 62.076 62.100 -0.303 0.000 1.142 232 T CB -0.002 68.583 68.868 -0.473 0.000 0.874 232 T HN 0.064 nan 8.240 nan 0.000 0.452 233 L N 1.744 122.877 121.223 -0.150 0.000 2.141 233 L HA -0.048 4.274 4.340 -0.031 0.000 0.209 233 L C 2.844 179.657 176.870 -0.095 0.000 1.094 233 L CA 1.341 56.114 54.840 -0.113 0.000 0.763 233 L CB -1.059 40.946 42.059 -0.090 0.000 0.908 233 L HN 0.406 nan 8.230 nan 0.000 0.437 234 T N -3.661 110.836 114.554 -0.093 0.000 3.113 234 T HA -0.036 4.295 4.350 -0.031 0.000 0.263 234 T C 1.857 176.511 174.700 -0.077 0.000 1.143 234 T CA 0.095 62.146 62.100 -0.082 0.000 1.090 234 T CB -0.193 68.629 68.868 -0.077 0.000 0.922 234 T HN 0.130 nan 8.240 nan 0.000 0.521 235 R N 1.689 122.139 120.500 -0.084 0.000 2.237 235 R HA 0.071 4.392 4.340 -0.031 0.000 0.219 235 R C 0.514 176.775 176.300 -0.064 0.000 1.080 235 R CA 0.480 56.536 56.100 -0.073 0.000 0.995 235 R CB -0.855 29.398 30.300 -0.079 0.000 0.875 235 R HN 0.498 nan 8.270 nan 0.000 0.462 236 D N 1.898 122.258 120.400 -0.066 0.000 2.352 236 D HA 0.044 4.665 4.640 -0.031 0.000 0.245 236 D C -1.410 174.857 176.300 -0.055 0.000 1.224 236 D CA -2.276 51.689 54.000 -0.058 0.000 0.879 236 D CB 1.271 42.036 40.800 -0.059 0.000 1.057 236 D HN -0.031 nan 8.370 nan 0.000 0.491 237 P HA -0.101 nan 4.420 nan 0.000 0.222 237 P C 0.639 177.911 177.300 -0.047 0.000 1.147 237 P CA 0.629 63.700 63.100 -0.048 0.000 0.790 237 P CB 0.235 31.910 31.700 -0.042 0.000 0.780 238 A N -0.803 121.991 122.820 -0.043 0.000 2.307 238 A HA 0.484 4.785 4.320 -0.031 0.000 0.218 238 A C 1.202 178.768 177.584 -0.031 0.000 1.228 238 A CA 0.026 52.041 52.037 -0.038 0.000 0.857 238 A CB -0.543 18.435 19.000 -0.036 0.000 0.897 238 A HN 0.230 nan 8.150 nan 0.000 0.495 239 A N 0.506 123.302 122.820 -0.040 0.000 2.276 239 A HA 0.646 4.947 4.320 -0.031 0.000 0.300 239 A C 0.397 177.949 177.584 -0.053 0.000 1.235 239 A CA 0.195 52.211 52.037 -0.035 0.000 0.867 239 A CB 0.118 19.091 19.000 -0.046 0.000 1.137 239 A HN 1.044 nan 8.150 nan 0.000 0.527 240 A N 3.218 126.021 122.820 -0.028 0.000 2.294 240 A HA 0.562 4.864 4.320 -0.031 0.000 0.316 240 A C -0.304 177.183 177.584 -0.160 0.000 1.359 240 A CA -0.308 51.673 52.037 -0.093 0.000 0.956 240 A CB -0.014 19.014 19.000 0.046 0.000 1.155 240 A HN 0.864 nan 8.150 nan 0.000 0.544 241 V N 3.641 123.363 119.914 -0.320 0.000 2.398 241 V HA 0.372 4.474 4.120 -0.031 0.000 0.286 241 V C -1.075 174.774 176.094 -0.410 0.000 1.026 241 V CA -0.280 61.889 62.300 -0.218 0.000 0.868 241 V CB 0.690 32.442 31.823 -0.120 0.000 0.982 241 V HN 0.735 nan 8.190 nan 0.000 0.443 242 Y N 2.915 123.236 120.300 0.036 0.000 2.326 242 Y HA 0.522 5.060 4.550 -0.020 0.000 0.331 242 Y C 0.039 175.990 175.900 0.085 0.000 0.962 242 Y CA -0.895 57.242 58.100 0.062 0.000 1.167 242 Y CB 1.922 40.405 38.460 0.038 0.000 1.148 242 Y HN 0.380 nan 8.280 nan 0.000 0.463 243 V N 3.074 123.123 119.914 0.225 0.000 2.530 243 V HA 0.031 4.133 4.120 -0.031 0.000 0.282 243 V C 0.113 176.334 176.094 0.211 0.000 1.048 243 V CA -0.539 61.869 62.300 0.180 0.000 0.997 243 V CB 1.072 32.971 31.823 0.128 0.000 0.987 243 V HN 0.715 nan 8.190 nan 0.000 0.477 244 D N 3.692 124.186 120.400 0.156 0.000 2.414 244 D HA 0.433 5.054 4.640 -0.031 0.000 0.242 244 D C 0.448 176.809 176.300 0.101 0.000 1.129 244 D CA 0.444 54.532 54.000 0.147 0.000 0.885 244 D CB 1.286 42.152 40.800 0.109 0.000 1.198 244 D HN 0.697 nan 8.370 nan 0.000 0.437 245 A N 2.815 125.712 122.820 0.129 0.000 2.605 245 A HA 0.633 4.934 4.320 -0.031 0.000 0.292 245 A C 1.017 178.608 177.584 0.011 0.000 1.055 245 A CA 0.443 52.497 52.037 0.027 0.000 0.969 245 A CB -0.346 18.667 19.000 0.021 0.000 1.236 245 A HN 0.964 nan 8.150 nan 0.000 0.534 246 G N 0.550 109.347 108.800 -0.005 0.000 2.531 246 G HA2 0.006 3.948 3.960 -0.031 0.000 0.274 246 G HA3 0.006 3.948 3.960 -0.031 0.000 0.274 246 G C -0.095 174.938 174.900 0.222 0.000 1.159 246 G CA 0.841 45.925 45.100 -0.027 0.000 0.969 246 G HN 2.328 nan 8.290 nan 0.000 0.554 247 H N -2.925 116.289 119.070 0.240 0.000 2.932 247 H HA 0.690 5.228 4.556 -0.031 0.000 0.307 247 H C 1.086 176.080 175.328 -0.557 0.000 1.391 247 H CA 0.753 56.810 56.048 0.015 0.000 1.130 247 H CB 0.593 30.448 29.762 0.155 0.000 1.836 247 H HN 1.191 nan 8.280 nan 0.000 0.522 248 S N -0.529 114.764 115.700 -0.678 0.000 2.547 248 S HA -0.032 4.420 4.470 -0.031 0.000 0.235 248 S C 0.795 175.033 174.600 -0.605 0.000 0.980 248 S CA 0.526 57.985 58.200 -1.235 0.000 0.941 248 S CB -0.278 62.514 63.200 -0.679 0.000 0.763 248 S HN 0.617 nan 8.310 nan 0.000 0.532 249 R N -1.082 119.275 120.500 -0.240 0.000 2.577 249 R HA 0.248 4.569 4.340 -0.031 0.000 0.344 249 R C 0.138 176.484 176.300 0.076 0.000 1.037 249 R CA -0.221 55.803 56.100 -0.126 0.000 1.102 249 R CB 0.069 30.196 30.300 -0.289 0.000 1.313 249 R HN 0.484 nan 8.270 nan 0.000 0.561 250 W N 0.893 122.021 121.300 -0.287 0.000 4.344 250 W HA 0.341 4.984 4.660 -0.028 0.000 0.348 250 W C 0.121 176.550 176.519 -0.151 0.000 3.225 250 W CA -0.101 57.056 57.345 -0.314 0.000 1.427 250 W CB -0.560 28.483 29.460 -0.694 0.000 2.072 250 W HN -0.216 nan 8.180 nan 0.000 0.396 251 L N 2.422 123.726 121.223 0.135 0.000 2.439 251 L HA 0.195 4.516 4.340 -0.031 0.000 0.261 251 L C 1.114 178.060 176.870 0.126 0.000 1.153 251 L CA -0.389 54.490 54.840 0.065 0.000 0.808 251 L CB 0.681 42.697 42.059 -0.072 0.000 1.126 251 L HN 0.150 nan 8.230 nan 0.000 0.460 252 S N 0.662 116.419 115.700 0.095 0.000 2.584 252 S HA 0.172 4.624 4.470 -0.031 0.000 0.270 252 S C 1.086 175.737 174.600 0.085 0.000 1.346 252 S CA -0.113 58.160 58.200 0.122 0.000 1.018 252 S CB 1.346 64.577 63.200 0.052 0.000 0.899 252 S HN 0.706 nan 8.310 nan 0.000 0.542 253 A N 1.523 124.375 122.820 0.052 0.000 1.908 253 A HA -0.104 4.198 4.320 -0.031 0.000 0.218 253 A C 2.028 179.486 177.584 -0.211 0.000 1.181 253 A CA 1.952 53.838 52.037 -0.252 0.000 0.627 253 A CB -1.206 17.623 19.000 -0.286 0.000 0.818 253 A HN 0.921 nan 8.150 nan 0.000 0.445 254 E N 0.004 120.134 120.200 -0.117 0.000 2.072 254 E HA 0.010 4.342 4.350 -0.031 0.000 0.191 254 E C 2.265 178.796 176.600 -0.115 0.000 0.985 254 E CA 1.326 57.660 56.400 -0.110 0.000 0.801 254 E CB -0.479 29.181 29.700 -0.066 0.000 0.750 254 E HN 0.579 nan 8.360 nan 0.000 0.452 255 A N 0.491 123.258 122.820 -0.088 0.000 1.902 255 A HA -0.174 4.127 4.320 -0.031 0.000 0.217 255 A C 2.150 179.648 177.584 -0.144 0.000 1.181 255 A CA 1.804 53.789 52.037 -0.088 0.000 0.623 255 A CB -0.428 18.543 19.000 -0.048 0.000 0.818 255 A HN 0.246 nan 8.150 nan 0.000 0.443 256 M N 0.096 119.593 119.600 -0.171 0.000 2.200 256 M HA 0.137 4.598 4.480 -0.031 0.000 0.265 256 M C 2.110 178.234 176.300 -0.294 0.000 1.066 256 M CA 1.401 56.559 55.300 -0.236 0.000 1.127 256 M CB -0.771 31.688 32.600 -0.235 0.000 1.379 256 M HN 0.350 nan 8.290 nan 0.000 0.420 257 A N -0.107 122.532 122.820 -0.302 0.000 1.933 257 A HA 0.027 4.328 4.320 -0.031 0.000 0.218 257 A C 2.380 179.827 177.584 -0.229 0.000 1.175 257 A CA 2.044 53.904 52.037 -0.296 0.000 0.628 257 A CB -1.414 17.427 19.000 -0.265 0.000 0.814 257 A HN 0.621 nan 8.150 nan 0.000 0.444 258 A N -0.060 122.642 122.820 -0.197 0.000 1.908 258 A HA -0.199 4.102 4.320 -0.031 0.000 0.218 258 A C 2.261 179.702 177.584 -0.238 0.000 1.181 258 A CA 1.653 53.583 52.037 -0.178 0.000 0.627 258 A CB -0.474 18.442 19.000 -0.140 0.000 0.818 258 A HN 0.577 nan 8.150 nan 0.000 0.445 259 R N -0.671 119.646 120.500 -0.304 0.000 2.075 259 R HA 0.007 4.329 4.340 -0.031 0.000 0.232 259 R C 2.092 178.172 176.300 -0.367 0.000 1.126 259 R CA 1.363 57.182 56.100 -0.468 0.000 0.963 259 R CB -0.527 29.469 30.300 -0.507 0.000 0.858 259 R HN 0.493 nan 8.270 nan 0.000 0.435 260 L N 0.964 122.022 121.223 -0.275 0.000 2.083 260 L HA -0.197 4.124 4.340 -0.031 0.000 0.209 260 L C 1.956 178.734 176.870 -0.153 0.000 1.083 260 L CA 1.038 55.760 54.840 -0.197 0.000 0.752 260 L CB -0.475 41.455 42.059 -0.215 0.000 0.899 260 L HN 0.221 nan 8.230 nan 0.000 0.433 261 N N -0.068 118.535 118.700 -0.162 0.000 2.142 261 N HA -0.215 4.506 4.740 -0.031 0.000 0.186 261 N C 1.521 176.965 175.510 -0.110 0.000 1.023 261 N CA 1.533 54.513 53.050 -0.117 0.000 0.852 261 N CB -0.326 38.094 38.487 -0.111 0.000 0.998 261 N HN 0.317 nan 8.380 nan 0.000 0.424 262 D N 0.238 120.545 120.400 -0.154 0.000 2.178 262 D HA -0.105 4.517 4.640 -0.031 0.000 0.201 262 D C 1.557 177.798 176.300 -0.098 0.000 0.980 262 D CA 0.673 54.591 54.000 -0.138 0.000 0.842 262 D CB 0.256 40.922 40.800 -0.224 0.000 0.948 262 D HN 0.168 nan 8.370 nan 0.000 0.472 263 V N -3.460 116.387 119.914 -0.112 0.000 3.596 263 V HA 0.480 4.582 4.120 -0.031 0.000 0.289 263 V C 1.189 177.272 176.094 -0.018 0.000 1.336 263 V CA 0.296 62.572 62.300 -0.041 0.000 1.137 263 V CB -0.330 31.474 31.823 -0.031 0.000 0.966 263 V HN 0.222 nan 8.190 nan 0.000 0.428 264 G N 0.239 109.019 108.800 -0.033 0.000 2.248 264 G HA2 -0.242 3.699 3.960 -0.031 0.000 0.263 264 G HA3 -0.242 3.699 3.960 -0.031 0.000 0.263 264 G C 0.534 175.424 174.900 -0.016 0.000 1.082 264 G CA 0.575 45.662 45.100 -0.022 0.000 0.863 264 G HN 1.028 nan 8.290 nan 0.000 0.495 265 V N 0.406 120.310 119.914 -0.017 0.000 2.439 265 V HA -0.101 4.001 4.120 -0.031 0.000 0.253 265 V C 2.808 178.912 176.094 0.015 0.000 1.074 265 V CA 3.289 65.595 62.300 0.011 0.000 1.076 265 V CB -0.629 31.208 31.823 0.024 0.000 0.664 265 V HN 1.139 nan 8.190 nan 0.000 0.461 266 G N -0.760 108.041 108.800 0.002 0.000 2.485 266 G HA2 -0.341 3.600 3.960 -0.031 0.000 0.221 266 G HA3 -0.341 3.600 3.960 -0.031 0.000 0.221 266 G C 1.698 176.594 174.900 -0.005 0.000 1.115 266 G CA 0.981 46.083 45.100 0.003 0.000 0.751 266 G HN 0.549 nan 8.290 nan 0.000 0.567 267 R N 0.195 120.685 120.500 -0.016 0.000 2.200 267 R HA 0.382 4.703 4.340 -0.031 0.000 0.208 267 R C 1.540 177.814 176.300 -0.044 0.000 1.033 267 R CA 0.623 56.706 56.100 -0.029 0.000 1.000 267 R CB -0.075 30.205 30.300 -0.032 0.000 0.906 267 R HN 0.354 nan 8.270 nan 0.000 0.462 268 A N 0.038 122.831 122.820 -0.044 0.000 2.274 268 A HA 0.250 4.551 4.320 -0.031 0.000 0.297 268 A C 0.725 178.242 177.584 -0.111 0.000 1.191 268 A CA -0.512 51.473 52.037 -0.087 0.000 0.889 268 A CB 0.682 19.638 19.000 -0.073 0.000 1.294 268 A HN 0.219 nan 8.150 nan 0.000 0.506 269 R N -1.314 119.038 120.500 -0.247 0.000 2.090 269 R HA 0.255 4.576 4.340 -0.031 0.000 0.228 269 R C 0.939 177.167 176.300 -0.120 0.000 1.110 269 R CA 2.057 57.993 56.100 -0.272 0.000 0.973 269 R CB -0.359 29.590 30.300 -0.585 0.000 0.869 269 R HN 1.254 nan 8.270 nan 0.000 0.440 270 G N -2.363 106.359 108.800 -0.130 0.000 2.591 270 G HA2 0.196 4.137 3.960 -0.031 0.000 0.104 270 G HA3 0.196 4.137 3.960 -0.031 0.000 0.104 270 G C -1.228 173.873 174.900 0.335 0.000 1.097 270 G CA -0.261 44.949 45.100 0.183 0.000 1.076 270 G HN 0.275 nan 8.290 nan 0.000 0.485 271 F N 0.213 120.380 119.950 0.362 0.000 2.664 271 F HA 0.892 5.398 4.527 -0.035 0.000 0.317 271 F C -0.132 175.873 175.800 0.342 0.000 1.108 271 F CA -0.807 57.366 58.000 0.289 0.000 0.957 271 F CB 1.697 40.779 39.000 0.137 0.000 1.365 271 F HN 0.836 nan 8.300 nan 0.000 0.475 272 S N 1.312 117.239 115.700 0.379 0.000 2.532 272 S HA 0.892 5.343 4.470 -0.031 0.000 0.301 272 S C -1.265 173.523 174.600 0.314 0.000 1.083 272 S CA -0.750 57.586 58.200 0.226 0.000 1.025 272 S CB 1.786 65.064 63.200 0.129 0.000 1.056 272 S HN 0.803 nan 8.310 nan 0.000 0.494 273 L N 1.460 122.846 121.223 0.271 0.000 2.354 273 L HA 0.598 4.920 4.340 -0.031 0.000 0.264 273 L C 0.297 177.313 176.870 0.243 0.000 1.008 273 L CA -0.886 54.138 54.840 0.306 0.000 0.819 273 L CB 1.501 43.765 42.059 0.342 0.000 1.339 273 L HN 0.922 nan 8.230 nan 0.000 0.420 274 N N -0.090 118.782 118.700 0.286 0.000 2.878 274 N HA -0.160 4.562 4.740 -0.031 0.000 0.247 274 N C -0.513 175.078 175.510 0.135 0.000 1.021 274 N CA 0.544 53.731 53.050 0.229 0.000 0.873 274 N CB -0.753 37.824 38.487 0.151 0.000 1.128 274 N HN 0.285 nan 8.380 nan 0.000 0.571 275 V N 0.932 120.949 119.914 0.171 0.000 2.540 275 V HA 0.065 4.167 4.120 -0.031 0.000 0.297 275 V C 1.348 177.505 176.094 0.105 0.000 1.024 275 V CA 1.027 63.407 62.300 0.133 0.000 1.105 275 V CB 0.856 32.767 31.823 0.146 0.000 0.938 275 V HN 0.468 nan 8.190 nan 0.000 0.482 276 S N 2.333 118.039 115.700 0.011 0.000 3.270 276 S HA -0.197 4.255 4.470 -0.031 0.000 0.293 276 S C 0.488 174.891 174.600 -0.329 0.000 1.278 276 S CA 1.473 59.607 58.200 -0.110 0.000 1.038 276 S CB -1.231 61.980 63.200 0.019 0.000 1.218 276 S HN 0.897 nan 8.310 nan 0.000 0.659 277 N N -0.977 117.494 118.700 -0.382 0.000 2.989 277 N HA 0.734 5.456 4.740 -0.031 0.000 0.338 277 N C -0.141 174.808 175.510 -0.935 0.000 1.369 277 N CA -0.523 52.180 53.050 -0.577 0.000 0.794 277 N CB 0.621 39.039 38.487 -0.114 0.000 1.359 277 N HN 0.087 nan 8.380 nan 0.000 0.609 278 F N -0.870 118.881 119.950 -0.331 0.000 2.915 278 F HA 0.359 4.868 4.527 -0.030 0.000 0.347 278 F C -0.403 175.168 175.800 -0.382 0.000 1.104 278 F CA -0.459 57.332 58.000 -0.349 0.000 1.126 278 F CB -0.005 38.769 39.000 -0.375 0.000 1.145 278 F HN 0.240 nan 8.300 nan 0.000 0.541 279 Y N 1.594 121.888 120.300 -0.009 0.000 2.397 279 Y HA 0.268 4.799 4.550 -0.031 0.000 0.335 279 Y C 1.508 177.398 175.900 -0.017 0.000 1.213 279 Y CA -0.962 57.123 58.100 -0.025 0.000 1.391 279 Y CB 0.187 38.602 38.460 -0.075 0.000 1.293 279 Y HN 0.013 nan 8.280 nan 0.000 0.557 280 T N -1.936 112.705 114.554 0.145 0.000 2.932 280 T HA -0.010 4.321 4.350 -0.031 0.000 0.312 280 T C 1.185 175.919 174.700 0.056 0.000 1.071 280 T CA -0.155 61.986 62.100 0.068 0.000 1.128 280 T CB 0.702 69.607 68.868 0.061 0.000 0.984 280 T HN 0.765 nan 8.240 nan 0.000 0.549 281 T N 1.721 116.268 114.554 -0.012 0.000 2.720 281 T HA -0.129 4.202 4.350 -0.031 0.000 0.268 281 T C 1.533 176.260 174.700 0.045 0.000 1.037 281 T CA 1.666 63.735 62.100 -0.051 0.000 1.144 281 T CB -0.482 68.248 68.868 -0.229 0.000 0.864 281 T HN 0.698 nan 8.240 nan 0.000 0.444 282 D N 0.702 121.135 120.400 0.056 0.000 2.117 282 D HA -0.093 4.528 4.640 -0.031 0.000 0.197 282 D C 2.129 178.489 176.300 0.100 0.000 0.987 282 D CA 0.998 55.051 54.000 0.089 0.000 0.829 282 D CB -0.318 40.526 40.800 0.074 0.000 0.961 282 D HN 0.543 nan 8.370 nan 0.000 0.460 283 E N 0.380 120.634 120.200 0.089 0.000 2.077 283 E HA -0.174 4.157 4.350 -0.031 0.000 0.193 283 E C 1.546 178.209 176.600 0.104 0.000 0.989 283 E CA 0.862 57.311 56.400 0.082 0.000 0.800 283 E CB 0.263 30.001 29.700 0.063 0.000 0.746 283 E HN 0.088 nan 8.360 nan 0.000 0.452 284 E N 0.446 120.721 120.200 0.125 0.000 2.152 284 E HA -0.121 4.211 4.350 -0.031 0.000 0.192 284 E C 2.155 178.864 176.600 0.182 0.000 0.983 284 E CA 0.556 57.057 56.400 0.169 0.000 0.818 284 E CB -0.153 29.655 29.700 0.180 0.000 0.758 284 E HN 0.459 nan 8.360 nan 0.000 0.467 285 I N 0.824 121.517 120.570 0.205 0.000 2.226 285 I HA -0.180 3.972 4.170 -0.031 0.000 0.245 285 I C 2.428 178.649 176.117 0.174 0.000 1.100 285 I CA 1.343 62.799 61.300 0.260 0.000 1.374 285 I CB -0.541 37.631 38.000 0.287 0.000 1.057 285 I HN 0.123 nan 8.210 nan 0.000 0.413 286 G N -0.120 108.772 108.800 0.153 0.000 2.440 286 G HA2 -0.335 3.606 3.960 -0.031 0.000 0.218 286 G HA3 -0.335 3.606 3.960 -0.031 0.000 0.218 286 G C 1.637 176.613 174.900 0.126 0.000 1.154 286 G CA 0.764 45.941 45.100 0.129 0.000 0.767 286 G HN 0.344 nan 8.290 nan 0.000 0.552 287 Y N 1.923 122.215 120.300 -0.013 0.000 2.200 287 Y HA 0.040 4.573 4.550 -0.030 0.000 0.290 287 Y C 2.773 178.614 175.900 -0.099 0.000 1.137 287 Y CA 1.381 59.454 58.100 -0.045 0.000 1.163 287 Y CB -0.565 37.879 38.460 -0.028 0.000 0.988 287 Y HN 0.118 nan 8.280 nan 0.000 0.518 288 G N -0.053 108.643 108.800 -0.174 0.000 2.418 288 G HA2 -0.225 3.716 3.960 -0.031 0.000 0.217 288 G HA3 -0.225 3.716 3.960 -0.031 0.000 0.217 288 G C 1.525 176.269 174.900 -0.260 0.000 1.158 288 G CA 0.997 45.743 45.100 -0.590 0.000 0.771 288 G HN 0.348 nan 8.290 nan 0.000 0.545 289 E N 0.917 121.094 120.200 -0.039 0.000 2.110 289 E HA -0.050 4.281 4.350 -0.031 0.000 0.193 289 E C 2.891 179.492 176.600 0.002 0.000 0.988 289 E CA 0.969 57.441 56.400 0.121 0.000 0.804 289 E CB -0.512 29.300 29.700 0.186 0.000 0.745 289 E HN 0.377 nan 8.360 nan 0.000 0.458 290 A N 1.210 123.990 122.820 -0.067 0.000 1.902 290 A HA -0.132 4.170 4.320 -0.031 0.000 0.217 290 A C 2.328 179.791 177.584 -0.202 0.000 1.181 290 A CA 1.072 53.039 52.037 -0.117 0.000 0.623 290 A CB -0.594 18.333 19.000 -0.121 0.000 0.818 290 A HN 0.166 nan 8.150 nan 0.000 0.443 291 I N -0.829 119.547 120.570 -0.324 0.000 2.252 291 I HA -0.193 3.959 4.170 -0.031 0.000 0.245 291 I C 2.813 178.784 176.117 -0.244 0.000 1.102 291 I CA 1.353 62.389 61.300 -0.441 0.000 1.385 291 I CB -0.289 37.190 38.000 -0.868 0.000 1.064 291 I HN 0.415 nan 8.210 nan 0.000 0.414 292 S N 1.015 116.692 115.700 -0.039 0.000 2.374 292 S HA -0.186 4.265 4.470 -0.031 0.000 0.227 292 S C 2.151 176.660 174.600 -0.151 0.000 1.037 292 S CA 1.845 60.031 58.200 -0.024 0.000 1.024 292 S CB -0.708 62.426 63.200 -0.109 0.000 0.861 292 S HN 0.569 nan 8.310 nan 0.000 0.456 293 G N 0.847 109.565 108.800 -0.138 0.000 2.432 293 G HA2 -0.073 3.868 3.960 -0.031 0.000 0.219 293 G HA3 -0.073 3.868 3.960 -0.031 0.000 0.219 293 G C 1.251 176.090 174.900 -0.102 0.000 1.135 293 G CA 0.783 45.817 45.100 -0.110 0.000 0.767 293 G HN 0.558 nan 8.290 nan 0.000 0.550 294 L N 1.029 122.176 121.223 -0.126 0.000 2.592 294 L HA 0.172 4.494 4.340 -0.031 0.000 0.227 294 L C 1.535 178.330 176.870 -0.125 0.000 1.127 294 L CA 0.890 55.655 54.840 -0.126 0.000 0.884 294 L CB 0.313 42.277 42.059 -0.157 0.000 1.065 294 L HN 0.284 nan 8.230 nan 0.000 0.457 295 T N -4.978 109.506 114.554 -0.115 0.000 3.380 295 T HA 0.190 4.521 4.350 -0.031 0.000 0.289 295 T C 0.543 175.212 174.700 -0.050 0.000 1.012 295 T CA -0.474 61.575 62.100 -0.085 0.000 0.944 295 T CB -0.171 68.647 68.868 -0.083 0.000 1.172 295 T HN 0.150 nan 8.240 nan 0.000 0.502 296 N N 1.255 119.920 118.700 -0.058 0.000 2.735 296 N HA -0.164 4.558 4.740 -0.031 0.000 0.248 296 N C 0.999 176.482 175.510 -0.044 0.000 1.083 296 N CA 1.606 54.632 53.050 -0.041 0.000 0.703 296 N CB -1.444 37.030 38.487 -0.021 0.000 1.005 296 N HN 1.396 nan 8.380 nan 0.000 0.550 297 G N -2.153 106.582 108.800 -0.109 0.000 2.142 297 G HA2 -0.257 3.684 3.960 -0.031 0.000 0.225 297 G HA3 -0.257 3.684 3.960 -0.031 0.000 0.225 297 G C 0.174 174.963 174.900 -0.186 0.000 1.015 297 G CA 0.230 45.201 45.100 -0.215 0.000 0.716 297 G HN 0.642 nan 8.290 nan 0.000 0.508 298 S N -0.224 115.452 115.700 -0.040 0.000 2.573 298 S HA 0.440 4.891 4.470 -0.031 0.000 0.277 298 S C 0.553 175.186 174.600 0.055 0.000 1.346 298 S CA 0.056 58.331 58.200 0.125 0.000 1.034 298 S CB 0.437 63.808 63.200 0.285 0.000 0.879 298 S HN 0.536 nan 8.310 nan 0.000 0.528 299 H N -0.099 119.055 119.070 0.140 0.000 2.559 299 H HA 0.649 5.186 4.556 -0.033 0.000 0.343 299 H C -0.540 174.733 175.328 -0.092 0.000 1.209 299 H CA -0.411 55.681 56.048 0.073 0.000 1.287 299 H CB 0.858 30.664 29.762 0.074 0.000 1.650 299 H HN 0.673 nan 8.280 nan 0.000 0.567 300 Y N -1.909 118.313 120.300 -0.130 0.000 2.638 300 Y HA 0.585 5.115 4.550 -0.033 0.000 0.335 300 Y C -1.576 174.160 175.900 -0.273 0.000 1.155 300 Y CA -1.471 56.343 58.100 -0.476 0.000 1.046 300 Y CB 0.464 38.191 38.460 -1.222 0.000 1.303 300 Y HN 0.491 nan 8.280 nan 0.000 0.460 301 V N 0.113 119.892 119.914 -0.225 0.000 2.864 301 V HA 0.777 4.879 4.120 -0.031 0.000 0.314 301 V C -0.846 175.302 176.094 0.089 0.000 1.073 301 V CA -1.197 60.987 62.300 -0.193 0.000 0.956 301 V CB 1.885 33.415 31.823 -0.488 0.000 1.023 301 V HN 0.842 nan 8.190 nan 0.000 0.435 302 I N 2.018 122.691 120.570 0.172 0.000 2.433 302 I HA 0.408 4.559 4.170 -0.031 0.000 0.292 302 I C -0.759 175.440 176.117 0.137 0.000 1.001 302 I CA -0.380 61.042 61.300 0.204 0.000 1.119 302 I CB 1.881 40.032 38.000 0.251 0.000 1.289 302 I HN 0.686 nan 8.210 nan 0.000 0.438 303 D N 4.427 124.887 120.400 0.099 0.000 2.338 303 D HA 0.071 4.693 4.640 -0.031 0.000 0.255 303 D C 0.863 177.175 176.300 0.019 0.000 1.237 303 D CA 0.050 54.092 54.000 0.070 0.000 0.883 303 D CB 0.944 41.769 40.800 0.043 0.000 1.087 303 D HN 0.651 nan 8.370 nan 0.000 0.485 304 T N -0.532 114.063 114.554 0.069 0.000 3.176 304 T HA 0.026 4.357 4.350 -0.031 0.000 0.263 304 T C 1.658 176.228 174.700 -0.216 0.000 1.021 304 T CA 0.176 62.275 62.100 -0.003 0.000 0.905 304 T CB -0.168 68.751 68.868 0.086 0.000 1.057 304 T HN 0.210 nan 8.240 nan 0.000 0.558 305 S N 2.573 117.974 115.700 -0.497 0.000 2.383 305 S HA -0.112 4.339 4.470 -0.031 0.000 0.229 305 S C 1.677 175.790 174.600 -0.811 0.000 1.030 305 S CA 0.491 57.984 58.200 -1.178 0.000 1.002 305 S CB -0.367 62.417 63.200 -0.694 0.000 0.829 305 S HN 0.628 nan 8.310 nan 0.000 0.467 306 R N 0.981 121.210 120.500 -0.453 0.000 2.592 306 R HA 0.224 4.545 4.340 -0.031 0.000 0.439 306 R C -0.008 176.243 176.300 -0.080 0.000 0.995 306 R CA 0.281 56.226 56.100 -0.257 0.000 1.141 306 R CB 0.196 30.349 30.300 -0.244 0.000 1.495 306 R HN 0.574 nan 8.270 nan 0.000 0.579 307 N N -0.442 118.189 118.700 -0.115 0.000 2.238 307 N HA 0.006 4.728 4.740 -0.031 0.000 0.222 307 N C 1.100 176.596 175.510 -0.024 0.000 1.133 307 N CA 0.101 53.124 53.050 -0.044 0.000 0.854 307 N CB 0.502 38.948 38.487 -0.068 0.000 1.041 307 N HN 0.133 nan 8.380 nan 0.000 0.510 308 G N -0.188 108.599 108.800 -0.022 0.000 2.471 308 G HA2 0.017 3.958 3.960 -0.031 0.000 0.219 308 G HA3 0.017 3.958 3.960 -0.031 0.000 0.219 308 G C 0.987 175.883 174.900 -0.006 0.000 1.125 308 G CA 0.730 45.827 45.100 -0.005 0.000 0.775 308 G HN 0.535 nan 8.290 nan 0.000 0.548 309 A N -0.614 122.198 122.820 -0.012 0.000 2.564 309 A HA 0.621 4.922 4.320 -0.031 0.000 0.279 309 A C 1.313 178.880 177.584 -0.027 0.000 1.232 309 A CA 0.934 52.958 52.037 -0.023 0.000 0.950 309 A CB -0.256 18.721 19.000 -0.039 0.000 1.138 309 A HN 1.632 nan 8.150 nan 0.000 0.526 310 G N 0.629 109.421 108.800 -0.014 0.000 2.697 310 G HA2 -0.168 3.773 3.960 -0.031 0.000 0.240 310 G HA3 -0.168 3.773 3.960 -0.031 0.000 0.240 310 G C -2.804 172.058 174.900 -0.064 0.000 1.346 310 G CA -0.239 44.850 45.100 -0.018 0.000 0.887 310 G HN 0.445 nan 8.290 nan 0.000 0.569 311 P HA 0.548 nan 4.420 nan 0.000 0.279 311 P C 0.202 177.373 177.300 -0.215 0.000 1.252 311 P CA 0.459 63.416 63.100 -0.238 0.000 0.811 311 P CB 1.142 32.617 31.700 -0.376 0.000 1.035 312 A N 3.529 126.163 122.820 -0.311 0.000 2.406 312 A HA 0.377 4.678 4.320 -0.031 0.000 0.243 312 A C -1.961 175.524 177.584 -0.165 0.000 1.082 312 A CA -1.011 50.871 52.037 -0.257 0.000 0.786 312 A CB -1.779 17.014 19.000 -0.346 0.000 1.029 312 A HN 0.435 nan 8.150 nan 0.000 0.495 313 P HA 0.022 nan 4.420 nan 0.000 0.265 313 P C -0.488 176.771 177.300 -0.068 0.000 1.193 313 P CA -0.004 63.049 63.100 -0.078 0.000 0.765 313 P CB 0.290 31.945 31.700 -0.075 0.000 0.823 314 D N 2.078 122.463 120.400 -0.024 0.000 2.660 314 D HA 0.166 4.787 4.640 -0.031 0.000 0.253 314 D C -0.448 175.839 176.300 -0.022 0.000 1.256 314 D CA 1.186 55.186 54.000 0.001 0.000 0.914 314 D CB -0.333 40.480 40.800 0.021 0.000 1.137 314 D HN 0.377 nan 8.370 nan 0.000 0.542 315 A N 4.313 127.114 122.820 -0.032 0.000 2.594 315 A HA 0.539 4.840 4.320 -0.031 0.000 0.296 315 A C -2.794 174.758 177.584 -0.053 0.000 1.061 315 A CA -1.286 50.721 52.037 -0.049 0.000 0.689 315 A CB 1.190 20.139 19.000 -0.085 0.000 1.280 315 A HN 0.310 nan 8.150 nan 0.000 0.406 316 P HA 0.319 nan 4.420 nan 0.000 0.264 316 P C 0.159 177.351 177.300 -0.181 0.000 1.183 316 P CA 0.531 63.611 63.100 -0.034 0.000 0.763 316 P CB 0.241 31.936 31.700 -0.009 0.000 0.807 317 L N 0.906 121.930 121.223 -0.332 0.000 4.560 317 L HA -0.248 4.073 4.340 -0.031 0.000 0.415 317 L C 1.409 177.765 176.870 -0.857 0.000 1.123 317 L CA 1.190 55.498 54.840 -0.888 0.000 0.991 317 L CB -2.187 39.533 42.059 -0.564 0.000 2.127 317 L HN 0.555 nan 8.230 nan 0.000 0.765 318 N N -0.404 117.978 118.700 -0.530 0.000 2.520 318 N HA -0.179 4.542 4.740 -0.031 0.000 0.185 318 N C 1.402 176.685 175.510 -0.378 0.000 1.068 318 N CA 1.644 54.465 53.050 -0.381 0.000 0.911 318 N CB -0.461 37.902 38.487 -0.206 0.000 0.961 318 N HN 0.826 nan 8.380 nan 0.000 0.446 319 W N -1.314 119.929 121.300 -0.095 0.000 3.278 319 W HA 0.405 5.048 4.660 -0.029 0.000 0.308 319 W C -0.483 176.086 176.519 0.083 0.000 1.253 319 W CA -0.913 56.473 57.345 0.068 0.000 1.759 319 W CB -0.893 28.636 29.460 0.114 0.000 1.093 319 W HN 0.001 nan 8.180 nan 0.000 0.648 320 c N 5.028 123.291 118.600 -0.562 0.000 2.206 320 c HA 0.252 4.803 4.570 -0.031 0.000 0.324 320 c C 0.736 174.615 174.090 -0.353 0.000 1.120 320 c CA -0.542 55.506 56.329 -0.469 0.000 1.546 320 c CB -1.798 40.110 42.510 -1.004 0.000 2.023 320 c HN 0.296 nan 8.230 nan 0.000 0.448 321 N N 3.826 122.401 118.700 -0.208 0.000 2.699 321 N HA -0.135 4.587 4.740 -0.031 0.000 0.256 321 N C -2.272 172.980 175.510 -0.429 0.000 0.993 321 N CA 0.763 53.611 53.050 -0.337 0.000 0.759 321 N CB -0.875 37.402 38.487 -0.350 0.000 0.906 321 N HN 0.629 nan 8.380 nan 0.000 0.541 322 P HA 0.085 nan 4.420 nan 0.000 0.271 322 P C 0.307 177.341 177.300 -0.444 0.000 1.218 322 P CA -0.099 62.697 63.100 -0.506 0.000 0.780 322 P CB 0.757 32.038 31.700 -0.698 0.000 0.901 323 S N 0.163 115.658 115.700 -0.342 0.000 2.669 323 S HA 0.519 4.970 4.470 -0.031 0.000 0.270 323 S C 1.189 175.644 174.600 -0.241 0.000 1.225 323 S CA 0.157 58.197 58.200 -0.267 0.000 0.991 323 S CB 0.220 63.301 63.200 -0.198 0.000 0.987 323 S HN 0.925 nan 8.310 nan 0.000 0.552 324 G N 0.459 109.156 108.800 -0.172 0.000 2.155 324 G HA2 -0.207 3.734 3.960 -0.031 0.000 0.257 324 G HA3 -0.207 3.734 3.960 -0.031 0.000 0.257 324 G C 0.112 174.930 174.900 -0.137 0.000 0.983 324 G CA 0.113 45.134 45.100 -0.132 0.000 0.676 324 G HN 0.707 nan 8.290 nan 0.000 0.528 325 R N 0.117 120.517 120.500 -0.167 0.000 2.543 325 R HA 0.854 5.176 4.340 -0.031 0.000 0.268 325 R C 0.328 176.595 176.300 -0.055 0.000 1.067 325 R CA 0.173 56.200 56.100 -0.121 0.000 1.142 325 R CB 1.073 31.288 30.300 -0.141 0.000 1.110 325 R HN 0.925 nan 8.270 nan 0.000 0.549 326 A N 1.444 124.249 122.820 -0.026 0.000 2.435 326 A HA 0.522 4.823 4.320 -0.031 0.000 0.304 326 A C -0.432 177.125 177.584 -0.045 0.000 1.064 326 A CA -0.829 51.194 52.037 -0.024 0.000 0.727 326 A CB 1.010 20.000 19.000 -0.018 0.000 1.284 326 A HN 0.569 nan 8.150 nan 0.000 0.415 327 L N 1.803 122.990 121.223 -0.060 0.000 2.543 327 L HA 0.241 4.563 4.340 -0.031 0.000 0.285 327 L C 1.311 178.166 176.870 -0.025 0.000 1.236 327 L CA 0.393 55.158 54.840 -0.124 0.000 0.871 327 L CB 0.052 42.107 42.059 -0.007 0.000 1.121 327 L HN 0.906 nan 8.230 nan 0.000 0.501 328 G N 1.471 110.238 108.800 -0.055 0.000 2.568 328 G HA2 0.582 4.524 3.960 -0.031 0.000 0.293 328 G HA3 0.582 4.524 3.960 -0.031 0.000 0.293 328 G C -0.382 174.683 174.900 0.275 0.000 1.347 328 G CA -0.348 44.790 45.100 0.064 0.000 1.039 328 G HN 0.871 nan 8.290 nan 0.000 0.523 329 A N 0.567 123.519 122.820 0.221 0.000 2.584 329 A HA 0.426 4.728 4.320 -0.031 0.000 0.239 329 A C -1.953 175.886 177.584 0.426 0.000 1.043 329 A CA -0.317 51.887 52.037 0.278 0.000 0.756 329 A CB -0.484 18.653 19.000 0.228 0.000 0.963 329 A HN 0.382 nan 8.150 nan 0.000 0.511 330 P HA 0.215 nan 4.420 nan 0.000 0.269 330 P C -2.487 174.792 177.300 -0.036 0.000 1.215 330 P CA -1.034 62.029 63.100 -0.062 0.000 0.780 330 P CB -0.333 31.294 31.700 -0.122 0.000 0.898 331 P HA 0.081 nan 4.420 nan 0.000 0.264 331 P C -0.255 177.124 177.300 0.132 0.000 1.183 331 P CA 0.859 63.928 63.100 -0.051 0.000 0.763 331 P CB 0.251 31.836 31.700 -0.192 0.000 0.807 332 T N 0.198 114.864 114.554 0.187 0.000 2.827 332 T HA 0.361 4.692 4.350 -0.031 0.000 0.328 332 T C 0.568 175.291 174.700 0.039 0.000 1.598 332 T CA -0.202 61.974 62.100 0.127 0.000 1.043 332 T CB 0.535 69.425 68.868 0.037 0.000 1.447 332 T HN 0.377 nan 8.240 nan 0.000 0.491 333 T N 0.234 114.786 114.554 -0.003 0.000 3.086 333 T HA 0.444 4.776 4.350 -0.031 0.000 0.250 333 T C 0.966 175.566 174.700 -0.168 0.000 1.074 333 T CA 0.384 62.432 62.100 -0.085 0.000 0.988 333 T CB 0.065 68.904 68.868 -0.047 0.000 0.988 333 T HN 0.809 nan 8.240 nan 0.000 0.530 334 A N 2.847 125.568 122.820 -0.165 0.000 2.915 334 A HA 0.536 4.837 4.320 -0.031 0.000 0.292 334 A C 0.917 178.351 177.584 -0.250 0.000 1.632 334 A CA -0.545 51.403 52.037 -0.147 0.000 1.337 334 A CB -0.970 17.989 19.000 -0.069 0.000 1.111 334 A HN 0.607 nan 8.150 nan 0.000 0.569 335 T N -2.251 112.112 114.554 -0.317 0.000 2.923 335 T HA 0.657 4.988 4.350 -0.031 0.000 0.281 335 T C 0.642 175.308 174.700 -0.057 0.000 0.995 335 T CA -0.085 61.775 62.100 -0.401 0.000 0.985 335 T CB 1.834 70.416 68.868 -0.476 0.000 1.114 335 T HN 0.769 nan 8.240 nan 0.000 0.548 336 A N -0.249 122.647 122.820 0.127 0.000 2.465 336 A HA 0.654 4.955 4.320 -0.031 0.000 0.255 336 A C 0.921 178.592 177.584 0.145 0.000 1.274 336 A CA -0.130 51.994 52.037 0.145 0.000 0.920 336 A CB -0.499 18.618 19.000 0.195 0.000 1.033 336 A HN 1.174 nan 8.150 nan 0.000 0.516 337 G N -1.974 106.906 108.800 0.134 0.000 2.461 337 G HA2 0.500 4.442 3.960 -0.031 0.000 0.323 337 G HA3 0.500 4.442 3.960 -0.031 0.000 0.323 337 G C 0.847 175.769 174.900 0.037 0.000 1.229 337 G CA 0.185 45.377 45.100 0.154 0.000 0.941 337 G HN 0.422 nan 8.290 nan 0.000 0.477 338 A N 1.312 124.146 122.820 0.024 0.000 1.978 338 A HA -0.072 4.229 4.320 -0.031 0.000 0.220 338 A C 1.534 178.892 177.584 -0.377 0.000 1.170 338 A CA 1.712 53.648 52.037 -0.168 0.000 0.636 338 A CB -0.379 18.498 19.000 -0.204 0.000 0.810 338 A HN 0.742 nan 8.150 nan 0.000 0.448 339 H N -1.601 117.451 119.070 -0.029 0.000 2.592 339 H HA 0.554 5.091 4.556 -0.032 0.000 0.279 339 H C 0.400 175.424 175.328 -0.506 0.000 1.089 339 H CA 0.191 56.134 56.048 -0.174 0.000 1.150 339 H CB 0.340 29.997 29.762 -0.176 0.000 1.575 339 H HN 0.436 nan 8.280 nan 0.000 0.547 340 A N 0.787 123.296 122.820 -0.518 0.000 2.415 340 A HA 0.104 4.405 4.320 -0.031 0.000 0.309 340 A C 0.460 177.838 177.584 -0.343 0.000 1.356 340 A CA -0.478 51.092 52.037 -0.777 0.000 0.998 340 A CB 0.143 18.930 19.000 -0.354 0.000 1.145 340 A HN 0.251 nan 8.150 nan 0.000 0.545 341 D N 1.644 121.882 120.400 -0.270 0.000 2.178 341 D HA 0.185 4.806 4.640 -0.031 0.000 0.202 341 D C 0.837 177.055 176.300 -0.136 0.000 0.974 341 D CA 2.106 56.032 54.000 -0.124 0.000 0.841 341 D CB 0.214 41.002 40.800 -0.020 0.000 0.953 341 D HN 0.764 nan 8.370 nan 0.000 0.478 342 A N -0.889 121.820 122.820 -0.186 0.000 2.597 342 A HA 0.466 4.768 4.320 -0.031 0.000 0.292 342 A C -1.781 175.776 177.584 -0.045 0.000 1.057 342 A CA -0.783 51.166 52.037 -0.146 0.000 0.674 342 A CB 0.574 19.545 19.000 -0.048 0.000 1.278 342 A HN -0.091 nan 8.150 nan 0.000 0.416 343 Y N 0.669 120.962 120.300 -0.011 0.000 2.327 343 Y HA 0.665 5.197 4.550 -0.031 0.000 0.336 343 Y C 0.207 176.077 175.900 -0.050 0.000 1.035 343 Y CA -1.055 57.054 58.100 0.016 0.000 1.165 343 Y CB 0.676 39.187 38.460 0.084 0.000 1.181 343 Y HN 0.519 nan 8.280 nan 0.000 0.494 344 L N 1.751 123.042 121.223 0.112 0.000 2.323 344 L HA 0.490 4.811 4.340 -0.031 0.000 0.265 344 L C -1.120 175.921 176.870 0.286 0.000 1.012 344 L CA -1.000 53.827 54.840 -0.022 0.000 0.820 344 L CB 2.009 43.951 42.059 -0.195 0.000 1.334 344 L HN 0.490 nan 8.230 nan 0.000 0.427 345 W N 2.529 123.792 121.300 -0.062 0.000 2.295 345 W HA 0.458 5.098 4.660 -0.032 0.000 0.333 345 W C 0.607 177.152 176.519 0.044 0.000 0.990 345 W CA -0.851 56.501 57.345 0.011 0.000 1.453 345 W CB 0.283 29.768 29.460 0.043 0.000 1.263 345 W HN 0.402 nan 8.180 nan 0.000 0.380 346 I N 1.524 122.236 120.570 0.236 0.000 2.368 346 I HA -0.087 4.064 4.170 -0.031 0.000 0.238 346 I C 1.417 177.808 176.117 0.458 0.000 1.076 346 I CA 0.305 61.737 61.300 0.220 0.000 1.397 346 I CB -0.365 37.690 38.000 0.091 0.000 1.141 346 I HN -0.108 nan 8.210 nan 0.000 0.430 347 K N 2.635 123.254 120.400 0.364 0.000 2.485 347 K HA 0.000 4.302 4.320 -0.031 0.000 0.277 347 K C -0.284 176.416 176.600 0.166 0.000 0.990 347 K CA 0.453 56.888 56.287 0.247 0.000 0.994 347 K CB 0.380 32.892 32.500 0.020 0.000 0.906 347 K HN 0.071 nan 8.250 nan 0.000 0.488 348 R N 5.696 126.255 120.500 0.097 0.000 2.196 348 R HA 0.223 4.544 4.340 -0.031 0.000 0.340 348 R C -2.194 174.167 176.300 0.101 0.000 1.043 348 R CA -1.984 54.206 56.100 0.150 0.000 0.883 348 R CB 0.787 31.178 30.300 0.152 0.000 1.078 348 R HN 0.562 nan 8.270 nan 0.000 0.462 349 P HA -0.042 nan 4.420 nan 0.000 0.264 349 P C 0.749 178.131 177.300 0.137 0.000 1.193 349 P CA 0.887 63.996 63.100 0.015 0.000 0.763 349 P CB 0.811 32.462 31.700 -0.080 0.000 0.810 350 G N 2.103 110.915 108.800 0.020 0.000 2.284 350 G HA2 -0.193 3.748 3.960 -0.031 0.000 0.216 350 G HA3 -0.193 3.748 3.960 -0.031 0.000 0.216 350 G C 0.012 174.774 174.900 -0.230 0.000 1.009 350 G CA -0.450 44.515 45.100 -0.225 0.000 0.625 350 G HN 0.537 nan 8.290 nan 0.000 0.501 351 E N 1.544 121.751 120.200 0.012 0.000 2.344 351 E HA 0.436 4.767 4.350 -0.031 0.000 0.270 351 E C 0.442 177.072 176.600 0.050 0.000 1.021 351 E CA 0.299 56.711 56.400 0.021 0.000 0.887 351 E CB 1.174 30.869 29.700 -0.008 0.000 0.997 351 E HN 0.224 nan 8.360 nan 0.000 0.429 352 S N 2.185 117.921 115.700 0.061 0.000 2.572 352 S HA -0.036 4.415 4.470 -0.031 0.000 0.279 352 S C 0.555 175.198 174.600 0.071 0.000 1.341 352 S CA -0.522 57.762 58.200 0.140 0.000 1.043 352 S CB 0.484 63.737 63.200 0.089 0.000 0.887 352 S HN 0.407 nan 8.310 nan 0.000 0.516 353 D N 2.537 122.985 120.400 0.080 0.000 2.347 353 D HA 0.243 4.864 4.640 -0.031 0.000 0.213 353 D C 0.975 177.346 176.300 0.117 0.000 0.985 353 D CA 1.059 55.127 54.000 0.113 0.000 0.879 353 D CB 0.123 41.032 40.800 0.180 0.000 0.919 353 D HN 0.759 nan 8.370 nan 0.000 0.526 354 G N -0.188 108.623 108.800 0.018 0.000 2.369 354 G HA2 -0.073 3.868 3.960 -0.031 0.000 0.293 354 G HA3 -0.073 3.868 3.960 -0.031 0.000 0.293 354 G C 0.746 175.526 174.900 -0.200 0.000 1.301 354 G CA 0.113 45.185 45.100 -0.047 0.000 0.913 354 G HN -0.044 nan 8.290 nan 0.000 0.540 355 T N -2.739 111.667 114.554 -0.247 0.000 2.915 355 T HA 0.034 4.366 4.350 -0.031 0.000 0.269 355 T C 1.746 176.213 174.700 -0.389 0.000 1.071 355 T CA 1.857 63.827 62.100 -0.217 0.000 1.132 355 T CB -0.617 68.229 68.868 -0.038 0.000 0.878 355 T HN 2.038 nan 8.240 nan 0.000 0.479 356 c N 1.146 119.189 118.600 -0.927 0.000 4.358 356 c HA 0.007 4.559 4.570 -0.031 0.000 0.287 356 c C 1.928 175.818 174.090 -0.334 0.000 1.414 356 c CA 0.363 56.225 56.329 -0.778 0.000 1.949 356 c CB -2.593 39.611 42.510 -0.510 0.000 1.274 356 c HN 1.505 nan 8.230 nan 0.000 0.793 357 G N -0.319 108.390 108.800 -0.152 0.000 2.153 357 G HA2 -0.328 3.614 3.960 -0.031 0.000 0.252 357 G HA3 -0.328 3.614 3.960 -0.031 0.000 0.252 357 G C 0.490 175.356 174.900 -0.057 0.000 0.994 357 G CA 0.830 45.918 45.100 -0.020 0.000 0.698 357 G HN 0.769 nan 8.290 nan 0.000 0.521 358 R N -0.988 119.459 120.500 -0.088 0.000 2.538 358 R HA 0.390 4.712 4.340 -0.031 0.000 0.372 358 R C 1.617 177.882 176.300 -0.057 0.000 0.950 358 R CA 0.379 56.434 56.100 -0.075 0.000 1.168 358 R CB 0.680 30.920 30.300 -0.100 0.000 1.542 358 R HN 1.243 nan 8.270 nan 0.000 0.536 359 G N 2.035 110.805 108.800 -0.049 0.000 2.176 359 G HA2 -0.309 3.632 3.960 -0.031 0.000 0.252 359 G HA3 -0.309 3.632 3.960 -0.031 0.000 0.252 359 G C -0.083 174.793 174.900 -0.041 0.000 1.024 359 G CA 0.382 45.462 45.100 -0.034 0.000 0.755 359 G HN 0.372 nan 8.290 nan 0.000 0.507 360 E N 0.368 120.534 120.200 -0.056 0.000 2.369 360 E HA 0.379 4.710 4.350 -0.031 0.000 0.255 360 E C -2.035 174.540 176.600 -0.041 0.000 1.172 360 E CA -1.661 54.717 56.400 -0.037 0.000 0.932 360 E CB 0.525 30.219 29.700 -0.011 0.000 1.040 360 E HN 0.198 nan 8.360 nan 0.000 0.454 361 P HA -0.068 nan 4.420 nan 0.000 0.269 361 P C -0.794 176.495 177.300 -0.020 0.000 1.209 361 P CA 0.063 63.131 63.100 -0.053 0.000 0.776 361 P CB 0.414 32.048 31.700 -0.110 0.000 0.876 362 Q N 1.894 121.692 119.800 -0.004 0.000 2.369 362 Q HA 0.123 4.444 4.340 -0.031 0.000 0.295 362 Q C -0.218 175.802 176.000 0.034 0.000 1.075 362 Q CA -0.291 55.528 55.803 0.026 0.000 0.941 362 Q CB 0.252 29.007 28.738 0.028 0.000 1.260 362 Q HN 0.559 nan 8.270 nan 0.000 0.417 363 A N 2.418 125.279 122.820 0.068 0.000 2.566 363 A HA 0.344 4.645 4.320 -0.031 0.000 0.245 363 A C 1.147 178.751 177.584 0.035 0.000 1.056 363 A CA 0.799 52.880 52.037 0.073 0.000 0.757 363 A CB -0.713 18.373 19.000 0.143 0.000 0.979 363 A HN 1.259 nan 8.150 nan 0.000 0.508 364 G N 1.455 110.250 108.800 -0.009 0.000 2.213 364 G HA2 -0.237 3.704 3.960 -0.031 0.000 0.236 364 G HA3 -0.237 3.704 3.960 -0.031 0.000 0.236 364 G C 0.463 175.364 174.900 0.001 0.000 0.991 364 G CA 0.496 45.568 45.100 -0.047 0.000 0.629 364 G HN 1.294 nan 8.290 nan 0.000 0.517 365 R N 0.529 121.038 120.500 0.014 0.000 2.401 365 R HA 0.542 4.864 4.340 -0.031 0.000 0.299 365 R C -0.021 176.303 176.300 0.039 0.000 1.064 365 R CA -0.701 55.418 56.100 0.031 0.000 1.000 365 R CB -0.193 30.104 30.300 -0.005 0.000 0.973 365 R HN 0.234 nan 8.270 nan 0.000 0.438 366 F N 5.220 125.143 119.950 -0.044 0.000 2.495 366 F HA 0.318 4.827 4.527 -0.031 0.000 0.365 366 F C -0.734 175.009 175.800 -0.094 0.000 1.090 366 F CA 0.034 58.008 58.000 -0.043 0.000 1.235 366 F CB 0.778 39.770 39.000 -0.013 0.000 1.119 366 F HN 0.244 nan 8.300 nan 0.000 0.562 367 V N 6.774 126.159 119.914 -0.881 0.000 2.380 367 V HA 0.126 4.227 4.120 -0.031 0.000 0.286 367 V C 0.566 176.135 176.094 -0.876 0.000 1.015 367 V CA -0.408 61.441 62.300 -0.752 0.000 0.834 367 V CB 0.904 32.117 31.823 -1.016 0.000 1.009 367 V HN 0.971 nan 8.190 nan 0.000 0.428 368 S N 2.741 118.158 115.700 -0.470 0.000 2.374 368 S HA -0.269 4.182 4.470 -0.031 0.000 0.227 368 S C 1.891 176.397 174.600 -0.156 0.000 1.037 368 S CA 2.228 60.315 58.200 -0.188 0.000 1.024 368 S CB -0.114 63.138 63.200 0.086 0.000 0.861 368 S HN 0.875 nan 8.310 nan 0.000 0.456 369 Q N 0.116 119.821 119.800 -0.158 0.000 2.135 369 Q HA -0.148 4.174 4.340 -0.031 0.000 0.204 369 Q C 1.627 177.657 176.000 0.050 0.000 0.981 369 Q CA 1.663 57.432 55.803 -0.057 0.000 0.856 369 Q CB -0.435 28.267 28.738 -0.061 0.000 0.902 369 Q HN 0.568 nan 8.270 nan 0.000 0.425 370 Y N -0.349 119.833 120.300 -0.197 0.000 2.145 370 Y HA -0.064 4.467 4.550 -0.031 0.000 0.286 370 Y C 2.342 178.152 175.900 -0.149 0.000 1.145 370 Y CA 0.832 58.823 58.100 -0.181 0.000 1.148 370 Y CB -1.316 37.010 38.460 -0.224 0.000 0.981 370 Y HN 0.278 nan 8.280 nan 0.000 0.507 371 A N 0.180 122.981 122.820 -0.032 0.000 1.902 371 A HA -0.162 4.139 4.320 -0.031 0.000 0.217 371 A C 2.387 180.016 177.584 0.074 0.000 1.181 371 A CA 1.718 53.774 52.037 0.032 0.000 0.623 371 A CB -1.109 17.960 19.000 0.114 0.000 0.818 371 A HN 0.418 nan 8.150 nan 0.000 0.443 372 I N -0.048 120.559 120.570 0.063 0.000 2.226 372 I HA -0.247 3.904 4.170 -0.031 0.000 0.245 372 I C 1.863 178.027 176.117 0.079 0.000 1.100 372 I CA 1.529 62.873 61.300 0.073 0.000 1.374 372 I CB -0.432 37.593 38.000 0.043 0.000 1.057 372 I HN 0.248 nan 8.210 nan 0.000 0.413 373 D N 0.806 121.237 120.400 0.053 0.000 2.117 373 D HA -0.134 4.487 4.640 -0.031 0.000 0.197 373 D C 2.340 178.676 176.300 0.061 0.000 0.987 373 D CA 1.213 55.244 54.000 0.052 0.000 0.829 373 D CB -0.352 40.452 40.800 0.007 0.000 0.961 373 D HN 0.270 nan 8.370 nan 0.000 0.460 374 L N 0.660 121.900 121.223 0.027 0.000 2.042 374 L HA -0.192 4.129 4.340 -0.031 0.000 0.210 374 L C 2.505 179.398 176.870 0.039 0.000 1.076 374 L CA 1.364 56.208 54.840 0.006 0.000 0.749 374 L CB -0.400 41.642 42.059 -0.028 0.000 0.893 374 L HN -0.008 nan 8.230 nan 0.000 0.432 375 A N -0.876 121.992 122.820 0.080 0.000 1.873 375 A HA -0.279 4.022 4.320 -0.031 0.000 0.215 375 A C 2.109 179.757 177.584 0.107 0.000 1.186 375 A CA 1.764 53.864 52.037 0.106 0.000 0.616 375 A CB -0.839 18.240 19.000 0.133 0.000 0.823 375 A HN 0.495 nan 8.150 nan 0.000 0.442 376 H N 0.750 119.837 119.070 0.029 0.000 2.352 376 H HA -0.122 4.415 4.556 -0.031 0.000 0.299 376 H C 1.747 177.081 175.328 0.010 0.000 1.097 376 H CA 2.168 58.227 56.048 0.019 0.000 1.311 376 H CB -0.069 29.699 29.762 0.010 0.000 1.377 376 H HN 0.417 nan 8.280 nan 0.000 0.504 377 N N 0.014 118.738 118.700 0.040 0.000 2.381 377 N HA -0.048 4.674 4.740 -0.031 0.000 0.182 377 N C 1.350 176.831 175.510 -0.048 0.000 1.025 377 N CA 0.995 54.028 53.050 -0.028 0.000 0.888 377 N CB -0.281 38.206 38.487 -0.000 0.000 0.965 377 N HN 0.497 nan 8.380 nan 0.000 0.438 378 A N -0.254 122.554 122.820 -0.021 0.000 2.278 378 A HA 0.442 4.744 4.320 -0.031 0.000 0.212 378 A C 1.487 179.058 177.584 -0.021 0.000 1.213 378 A CA 0.605 52.641 52.037 -0.002 0.000 0.840 378 A CB -0.377 18.649 19.000 0.043 0.000 0.866 378 A HN 0.276 nan 8.150 nan 0.000 0.489 379 G N -1.295 107.454 108.800 -0.085 0.000 2.159 379 G HA2 -0.257 3.685 3.960 -0.031 0.000 0.256 379 G HA3 -0.257 3.685 3.960 -0.031 0.000 0.256 379 G C 0.174 175.040 174.900 -0.057 0.000 0.977 379 G CA 0.554 45.590 45.100 -0.105 0.000 0.652 379 G HN 0.617 nan 8.290 nan 0.000 0.531 380 Q N 0.000 119.794 119.800 -0.010 0.000 2.315 380 Q HA 0.000 4.321 4.340 -0.031 0.000 0.214 380 Q CA 0.000 55.828 55.803 0.042 0.000 1.022 380 Q CB 0.000 28.783 28.738 0.075 0.000 1.108 380 Q HN 0.000 nan 8.270 nan 0.000 0.481