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 3lvp_1_A DATA FIRST_RESID 989 DATA SEQUENCE PDEWEVAREK ITMSRELGQG SFGMVYEGVA KGVVKDEPET RVAIKTVNEA DATA SEQUENCE ASMRERIEFL NEASVMKEFN CHHVVRLLGV VSQGQPTLVI MELMTRGDLK DATA SEQUENCE SYLRSLRPEM EXXPVLAPPS LSKMIQMAGE IADGMAYLNA NKFVHRDLAA DATA SEQUENCE RNCMVAEDFT VKIGDFGMTR DIYXXXXXXX GGKGLLPVRW MSPESLKDGV DATA SEQUENCE FTTYSDVWSF GVVLWEIATL AEQPYQGLSN EQVLRFVMEG GLLDKPDNCP DATA SEQUENCE DMLFELMRMC WQYNPKMRPS FLEIISSIKE EMEPGFREVS FYYSEENK 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 989 P HA 0.000 nan 4.420 nan 0.000 0.216 989 P C 0.000 177.338 177.300 0.064 0.000 1.155 989 P CA 0.000 63.125 63.100 0.042 0.000 0.800 989 P CB 0.000 31.719 31.700 0.032 0.000 0.726 990 D N -1.269 119.168 120.400 0.061 0.000 10.873 990 D HA 0.010 4.650 4.640 0.000 0.000 0.355 990 D C 0.641 176.985 176.300 0.075 0.000 3.125 990 D CA 2.129 56.160 54.000 0.053 0.000 2.637 990 D CB -0.139 40.681 40.800 0.033 0.000 1.188 990 D HN 0.837 nan 8.370 nan 0.000 0.939 991 E N 0.575 120.787 120.200 0.021 0.000 4.153 991 E HA -0.305 4.045 4.350 0.000 0.000 0.193 991 E C 1.083 177.651 176.600 -0.054 0.000 1.249 991 E CA 2.989 59.359 56.400 -0.051 0.000 2.292 991 E CB -1.935 27.701 29.700 -0.106 0.000 1.844 991 E HN 0.630 nan 8.360 nan 0.000 0.356 992 W N 1.533 122.814 121.300 -0.032 0.000 2.374 992 W HA 0.104 4.765 4.660 0.000 0.000 0.288 992 W C 1.072 177.574 176.519 -0.029 0.000 1.218 992 W CA 0.821 58.144 57.345 -0.037 0.000 1.245 992 W CB -0.273 29.154 29.460 -0.054 0.000 1.126 992 W HN 0.259 nan 8.180 nan 0.000 0.545 993 E N 0.507 120.823 120.200 0.192 0.000 2.534 993 E HA 0.117 4.467 4.350 0.000 0.000 0.264 993 E C -0.233 176.413 176.600 0.076 0.000 0.981 993 E CA 0.440 56.907 56.400 0.112 0.000 0.948 993 E CB 0.471 30.215 29.700 0.073 0.000 0.934 993 E HN -0.053 nan 8.360 nan 0.000 0.459 994 V N 0.855 120.809 119.914 0.066 0.000 3.078 994 V HA 0.838 4.959 4.120 0.000 0.000 0.311 994 V C -0.386 175.729 176.094 0.034 0.000 1.138 994 V CA -0.688 61.638 62.300 0.044 0.000 1.007 994 V CB 1.637 33.489 31.823 0.050 0.000 1.045 994 V HN 0.849 nan 8.190 nan 0.000 0.432 995 A N 2.461 125.294 122.820 0.022 0.000 2.567 995 A HA 0.290 4.611 4.320 0.000 0.000 0.240 995 A C 1.234 178.829 177.584 0.019 0.000 1.053 995 A CA 0.672 52.719 52.037 0.017 0.000 0.755 995 A CB -0.227 18.778 19.000 0.009 0.000 0.978 995 A HN 1.127 nan 8.150 nan 0.000 0.507 996 R N 1.354 121.864 120.500 0.017 0.000 2.148 996 R HA -0.146 4.194 4.340 0.000 0.000 0.227 996 R C 1.709 178.013 176.300 0.007 0.000 1.103 996 R CA 1.749 57.858 56.100 0.015 0.000 0.983 996 R CB -0.095 30.213 30.300 0.014 0.000 0.874 996 R HN 0.958 nan 8.270 nan 0.000 0.451 997 E N 0.067 120.270 120.200 0.004 0.000 2.418 997 E HA -0.143 4.207 4.350 0.000 0.000 0.197 997 E C 0.995 177.595 176.600 -0.000 0.000 1.026 997 E CA 0.777 57.177 56.400 -0.001 0.000 0.862 997 E CB 0.082 29.781 29.700 -0.001 0.000 0.799 997 E HN 0.288 nan 8.360 nan 0.000 0.518 998 K N 0.474 120.876 120.400 0.005 0.000 2.444 998 K HA 0.134 4.454 4.320 0.000 0.000 0.193 998 K C -0.027 176.578 176.600 0.008 0.000 1.024 998 K CA 0.097 56.387 56.287 0.006 0.000 1.077 998 K CB 0.511 33.017 32.500 0.010 0.000 0.833 998 K HN 0.157 nan 8.250 nan 0.000 0.517 999 I N 2.339 122.914 120.570 0.007 0.000 2.382 999 I HA 0.103 4.274 4.170 0.000 0.000 0.285 999 I C -0.061 176.051 176.117 -0.009 0.000 1.007 999 I CA -0.467 60.838 61.300 0.008 0.000 1.142 999 I CB 0.940 38.952 38.000 0.019 0.000 1.289 999 I HN -0.066 nan 8.210 nan 0.000 0.453 1000 T N 3.830 118.376 114.554 -0.014 0.000 2.792 1000 T HA 0.654 5.004 4.350 0.000 0.000 0.280 1000 T C -0.121 174.552 174.700 -0.044 0.000 0.990 1000 T CA -0.806 61.274 62.100 -0.033 0.000 0.960 1000 T CB 1.569 70.422 68.868 -0.026 0.000 0.939 1000 T HN 0.357 nan 8.240 nan 0.000 0.439 1001 M N 3.274 122.817 119.600 -0.095 0.000 2.143 1001 M HA 0.255 4.735 4.480 0.000 0.000 0.348 1001 M C 1.034 177.279 176.300 -0.091 0.000 1.375 1001 M CA -0.484 54.737 55.300 -0.132 0.000 1.124 1001 M CB 0.812 33.193 32.600 -0.366 0.000 1.669 1001 M HN 0.782 nan 8.290 nan 0.000 0.469 1002 S N 3.395 119.080 115.700 -0.025 0.000 2.310 1002 S HA 0.104 4.574 4.470 0.000 0.000 0.201 1002 S C 0.671 175.281 174.600 0.016 0.000 1.032 1002 S CA 0.613 58.811 58.200 -0.002 0.000 0.993 1002 S CB 0.094 63.304 63.200 0.017 0.000 0.970 1002 S HN 0.755 nan 8.310 nan 0.000 0.446 1003 R N 0.967 121.505 120.500 0.063 0.000 2.912 1003 R HA 0.605 4.945 4.340 0.000 0.000 0.262 1003 R C -1.408 175.015 176.300 0.204 0.000 1.057 1003 R CA -0.851 55.310 56.100 0.101 0.000 0.981 1003 R CB 1.181 31.522 30.300 0.069 0.000 1.201 1003 R HN 0.127 nan 8.270 nan 0.000 0.484 1004 E N 0.677 121.011 120.200 0.223 0.000 2.343 1004 E HA 0.137 4.487 4.350 0.000 0.000 0.269 1004 E C 0.105 176.748 176.600 0.072 0.000 1.047 1004 E CA -0.291 56.234 56.400 0.209 0.000 0.874 1004 E CB 1.498 31.272 29.700 0.124 0.000 1.033 1004 E HN 0.431 nan 8.360 nan 0.000 0.409 1005 L N 0.621 121.845 121.223 0.002 0.000 2.379 1005 L HA 0.342 4.682 4.340 0.000 0.000 0.190 1005 L C 0.877 177.729 176.870 -0.030 0.000 1.111 1005 L CA 0.439 55.277 54.840 -0.004 0.000 0.820 1005 L CB 0.438 42.497 42.059 0.000 0.000 1.046 1005 L HN 0.671 nan 8.230 nan 0.000 0.485 1006 G N -0.942 107.815 108.800 -0.073 0.000 2.519 1006 G HA2 0.307 4.267 3.960 0.000 0.000 0.292 1006 G HA3 0.307 4.267 3.960 0.000 0.000 0.292 1006 G C -1.937 172.909 174.900 -0.089 0.000 1.507 1006 G CA -0.518 44.545 45.100 -0.062 0.000 0.806 1006 G HN -0.128 nan 8.290 nan 0.000 0.523 1007 Q N -0.113 119.646 119.800 -0.068 0.000 2.330 1007 Q HA 0.534 4.874 4.340 0.000 0.000 0.279 1007 Q C 0.658 176.639 176.000 -0.031 0.000 1.024 1007 Q CA 1.191 56.955 55.803 -0.064 0.000 0.900 1007 Q CB 0.874 29.587 28.738 -0.042 0.000 1.221 1007 Q HN 0.957 nan 8.270 nan 0.000 0.396 1008 G N 1.305 110.096 108.800 -0.015 0.000 2.932 1008 G HA2 0.394 4.354 3.960 0.000 0.000 0.283 1008 G HA3 0.394 4.354 3.960 0.000 0.000 0.283 1008 G C 0.208 175.152 174.900 0.074 0.000 1.336 1008 G CA -0.155 44.972 45.100 0.045 0.000 1.056 1008 G HN 0.681 nan 8.290 nan 0.000 0.522 1009 S N -0.547 115.241 115.700 0.147 0.000 2.365 1009 S HA -0.135 4.335 4.470 0.000 0.000 0.221 1009 S C 1.984 176.601 174.600 0.028 0.000 1.037 1009 S CA 1.786 60.042 58.200 0.093 0.000 1.060 1009 S CB -0.426 62.880 63.200 0.176 0.000 0.974 1009 S HN 0.424 nan 8.310 nan 0.000 0.427 1010 F N 1.374 121.324 119.950 -0.000 0.000 2.187 1010 F HA 0.360 4.887 4.527 0.000 0.000 0.295 1010 F C 1.512 177.232 175.800 -0.133 0.000 1.091 1010 F CA 0.475 58.431 58.000 -0.073 0.000 1.308 1010 F CB -0.626 38.293 39.000 -0.135 0.000 1.030 1010 F HN 0.351 nan 8.300 nan 0.000 0.487 1011 G N -1.097 107.752 108.800 0.081 0.000 2.601 1011 G HA2 0.406 4.366 3.960 0.000 0.000 0.291 1011 G HA3 0.406 4.366 3.960 0.000 0.000 0.291 1011 G C -1.429 173.424 174.900 -0.078 0.000 1.456 1011 G CA -1.144 43.937 45.100 -0.031 0.000 0.804 1011 G HN -0.067 nan 8.290 nan 0.000 0.499 1012 M N 1.599 121.108 119.600 -0.151 0.000 2.394 1012 M HA 0.223 4.703 4.480 0.000 0.000 0.394 1012 M C 0.018 176.030 176.300 -0.481 0.000 1.611 1012 M CA 0.188 55.301 55.300 -0.312 0.000 0.941 1012 M CB -0.068 32.286 32.600 -0.409 0.000 2.094 1012 M HN 0.266 nan 8.290 nan 0.000 0.485 1013 V N 7.919 127.639 119.914 -0.323 0.000 2.583 1013 V HA 0.238 4.358 4.120 0.000 0.000 0.287 1013 V C -0.257 175.638 176.094 -0.333 0.000 1.051 1013 V CA -0.252 61.915 62.300 -0.222 0.000 1.010 1013 V CB 0.134 31.920 31.823 -0.062 0.000 0.988 1013 V HN 0.766 nan 8.190 nan 0.000 0.478 1014 Y N 1.449 121.768 120.300 0.031 0.000 2.675 1014 Y HA 0.627 5.177 4.550 0.000 0.000 0.328 1014 Y C 0.269 176.183 175.900 0.023 0.000 1.092 1014 Y CA -1.164 56.950 58.100 0.023 0.000 1.190 1014 Y CB 1.304 39.776 38.460 0.020 0.000 1.350 1014 Y HN 0.628 nan 8.280 nan 0.000 0.525 1015 E N 0.145 120.476 120.200 0.218 0.000 2.256 1015 E HA 0.643 4.993 4.350 0.000 0.000 0.268 1015 E C -0.919 175.735 176.600 0.090 0.000 0.877 1015 E CA -0.487 55.982 56.400 0.116 0.000 0.757 1015 E CB 1.725 31.472 29.700 0.080 0.000 1.183 1015 E HN 0.856 nan 8.360 nan 0.000 0.418 1016 G N 1.667 110.504 108.800 0.061 0.000 2.772 1016 G HA2 0.488 4.448 3.960 0.000 0.000 0.284 1016 G HA3 0.488 4.448 3.960 0.000 0.000 0.284 1016 G C -1.389 173.527 174.900 0.025 0.000 1.217 1016 G CA -0.294 44.826 45.100 0.034 0.000 0.831 1016 G HN 0.406 nan 8.290 nan 0.000 0.523 1017 V N 0.247 120.171 119.914 0.016 0.000 2.656 1017 V HA 0.792 4.912 4.120 0.000 0.000 0.307 1017 V C -0.026 176.077 176.094 0.015 0.000 1.051 1017 V CA -0.417 61.892 62.300 0.014 0.000 0.893 1017 V CB 1.374 33.202 31.823 0.008 0.000 0.999 1017 V HN 1.380 nan 8.190 nan 0.000 0.426 1018 A N 3.174 126.005 122.820 0.018 0.000 2.342 1018 A HA 0.841 5.161 4.320 0.000 0.000 0.323 1018 A C -0.619 176.974 177.584 0.014 0.000 1.125 1018 A CA -0.781 51.268 52.037 0.020 0.000 0.785 1018 A CB 1.373 20.391 19.000 0.030 0.000 1.221 1018 A HN 0.714 nan 8.150 nan 0.000 0.463 1019 K N 1.360 121.767 120.400 0.011 0.000 2.276 1019 K HA 0.495 4.816 4.320 0.000 0.000 0.285 1019 K C 0.749 177.352 176.600 0.006 0.000 1.062 1019 K CA 1.065 57.355 56.287 0.006 0.000 0.918 1019 K CB 0.656 33.158 32.500 0.003 0.000 1.055 1019 K HN 1.682 nan 8.250 nan 0.000 0.477 1020 G N 3.043 111.845 108.800 0.003 0.000 2.325 1020 G HA2 -0.186 3.774 3.960 0.000 0.000 0.274 1020 G HA3 -0.186 3.774 3.960 0.000 0.000 0.274 1020 G C 0.274 175.174 174.900 -0.000 0.000 0.921 1020 G CA 0.548 45.647 45.100 -0.002 0.000 1.340 1020 G HN 0.842 nan 8.290 nan 0.000 0.447 1021 V N -1.771 118.147 119.914 0.007 0.000 3.398 1021 V HA 0.630 4.750 4.120 0.000 0.000 0.298 1021 V C 0.522 176.624 176.094 0.013 0.000 1.496 1021 V CA 0.479 62.788 62.300 0.016 0.000 1.044 1021 V CB 0.700 32.546 31.823 0.038 0.000 0.880 1021 V HN 0.733 nan 8.190 nan 0.000 0.443 1022 V N 1.063 120.981 119.914 0.006 0.000 2.760 1022 V HA 0.401 4.521 4.120 0.000 0.000 0.309 1022 V C -0.115 175.977 176.094 -0.005 0.000 1.077 1022 V CA -1.104 61.199 62.300 0.005 0.000 0.910 1022 V CB 2.073 33.904 31.823 0.014 0.000 1.008 1022 V HN 0.427 nan 8.190 nan 0.000 0.424 1023 K N 2.539 122.933 120.400 -0.010 0.000 2.489 1023 K HA 0.032 4.352 4.320 0.000 0.000 0.278 1023 K C 0.315 176.910 176.600 -0.009 0.000 1.000 1023 K CA 0.743 57.022 56.287 -0.014 0.000 1.012 1023 K CB 0.128 32.618 32.500 -0.017 0.000 0.903 1023 K HN 0.817 nan 8.250 nan 0.000 0.485 1024 D N 1.586 121.981 120.400 -0.010 0.000 3.046 1024 D HA -0.172 4.468 4.640 0.000 0.000 0.210 1024 D C -0.990 175.307 176.300 -0.004 0.000 1.124 1024 D CA 1.353 55.348 54.000 -0.007 0.000 0.986 1024 D CB -0.640 40.156 40.800 -0.007 0.000 1.118 1024 D HN 0.675 nan 8.370 nan 0.000 0.416 1025 E N -0.628 119.570 120.200 -0.003 0.000 2.186 1025 E HA 0.234 4.584 4.350 0.000 0.000 0.255 1025 E C -1.805 174.795 176.600 -0.001 0.000 0.881 1025 E CA -1.731 54.669 56.400 -0.000 0.000 0.752 1025 E CB 1.815 31.517 29.700 0.003 0.000 1.176 1025 E HN -0.055 nan 8.360 nan 0.000 0.421 1026 P HA -0.166 nan 4.420 nan 0.000 0.213 1026 P C -0.455 176.846 177.300 0.001 0.000 1.170 1026 P CA 1.365 64.464 63.100 -0.001 0.000 0.902 1026 P CB 0.373 32.073 31.700 -0.001 0.000 0.789 1027 E N -1.955 118.246 120.200 0.003 0.000 2.288 1027 E HA 0.519 4.869 4.350 0.000 0.000 0.268 1027 E C -0.906 175.698 176.600 0.008 0.000 0.885 1027 E CA -0.573 55.831 56.400 0.005 0.000 0.767 1027 E CB 2.042 31.745 29.700 0.004 0.000 1.220 1027 E HN -0.231 nan 8.360 nan 0.000 0.427 1028 T N 1.687 116.247 114.554 0.011 0.000 2.921 1028 T HA 0.302 4.652 4.350 0.000 0.000 0.297 1028 T C -0.696 174.014 174.700 0.017 0.000 1.013 1028 T CA -0.922 61.187 62.100 0.014 0.000 0.990 1028 T CB 1.004 69.883 68.868 0.018 0.000 1.023 1028 T HN 0.171 nan 8.240 nan 0.000 0.447 1029 R N 2.364 122.873 120.500 0.015 0.000 2.449 1029 R HA 0.468 4.808 4.340 0.000 0.000 0.296 1029 R C 0.218 176.531 176.300 0.022 0.000 1.047 1029 R CA -0.055 56.055 56.100 0.017 0.000 1.018 1029 R CB 0.295 30.602 30.300 0.011 0.000 0.962 1029 R HN 0.583 nan 8.270 nan 0.000 0.428 1030 V N -1.380 118.552 119.914 0.030 0.000 3.156 1030 V HA 0.918 5.038 4.120 0.000 0.000 0.310 1030 V C -0.737 175.385 176.094 0.047 0.000 1.234 1030 V CA -1.319 61.003 62.300 0.036 0.000 1.065 1030 V CB 2.117 33.965 31.823 0.042 0.000 1.088 1030 V HN 0.704 nan 8.190 nan 0.000 0.451 1031 A N 1.610 124.462 122.820 0.052 0.000 2.318 1031 A HA 0.853 5.173 4.320 0.000 0.000 0.324 1031 A C -0.745 176.891 177.584 0.086 0.000 1.170 1031 A CA -0.594 51.482 52.037 0.066 0.000 0.810 1031 A CB 0.805 19.834 19.000 0.049 0.000 1.198 1031 A HN 0.776 nan 8.150 nan 0.000 0.484 1032 I N 3.151 123.797 120.570 0.126 0.000 2.330 1032 I HA 0.262 4.432 4.170 0.000 0.000 0.286 1032 I C -0.136 176.085 176.117 0.173 0.000 1.025 1032 I CA -0.576 60.820 61.300 0.160 0.000 1.197 1032 I CB 0.929 39.056 38.000 0.211 0.000 1.358 1032 I HN 0.480 nan 8.210 nan 0.000 0.467 1033 K N 5.228 125.733 120.400 0.175 0.000 2.285 1033 K HA 0.376 4.696 4.320 0.000 0.000 0.286 1033 K C 0.442 177.171 176.600 0.216 0.000 1.072 1033 K CA -0.107 56.310 56.287 0.216 0.000 0.913 1033 K CB 1.563 34.252 32.500 0.316 0.000 1.067 1033 K HN 0.763 nan 8.250 nan 0.000 0.479 1034 T N -1.494 113.082 114.554 0.037 0.000 2.927 1034 T HA 0.687 5.037 4.350 0.000 0.000 0.286 1034 T C 0.015 174.521 174.700 -0.323 0.000 1.040 1034 T CA -0.829 61.215 62.100 -0.093 0.000 1.010 1034 T CB 1.495 70.418 68.868 0.092 0.000 1.177 1034 T HN 0.218 nan 8.240 nan 0.000 0.546 1035 V N -0.426 119.285 119.914 -0.338 0.000 2.823 1035 V HA 0.642 4.762 4.120 0.000 0.000 0.312 1035 V C -0.269 175.760 176.094 -0.109 0.000 1.072 1035 V CA -1.327 60.804 62.300 -0.281 0.000 0.937 1035 V CB 1.590 33.181 31.823 -0.387 0.000 1.013 1035 V HN 0.939 nan 8.190 nan 0.000 0.430 1036 N N 2.234 120.898 118.700 -0.059 0.000 2.453 1036 N HA 0.087 4.827 4.740 0.000 0.000 0.253 1036 N C 1.310 176.806 175.510 -0.023 0.000 1.252 1036 N CA 0.580 53.612 53.050 -0.030 0.000 0.917 1036 N CB 1.238 39.710 38.487 -0.025 0.000 1.117 1036 N HN 0.994 nan 8.380 nan 0.000 0.442 1037 E N 0.756 120.950 120.200 -0.010 0.000 2.204 1037 E HA -0.153 4.198 4.350 0.000 0.000 0.195 1037 E C 1.409 178.006 176.600 -0.006 0.000 0.990 1037 E CA 1.025 57.422 56.400 -0.005 0.000 0.821 1037 E CB -0.088 29.613 29.700 0.001 0.000 0.750 1037 E HN 0.553 nan 8.360 nan 0.000 0.477 1038 A N 2.703 125.518 122.820 -0.009 0.000 1.859 1038 A HA -0.141 4.180 4.320 0.000 0.000 0.218 1038 A C 2.100 179.679 177.584 -0.008 0.000 1.242 1038 A CA 1.919 53.950 52.037 -0.011 0.000 0.661 1038 A CB -1.172 17.817 19.000 -0.018 0.000 0.842 1038 A HN 0.464 nan 8.150 nan 0.000 0.455 1039 A N 0.571 123.385 122.820 -0.011 0.000 2.981 1039 A HA 0.408 4.728 4.320 0.000 0.000 0.280 1039 A C 1.413 179.003 177.584 0.011 0.000 1.797 1039 A CA 0.660 52.696 52.037 -0.001 0.000 1.456 1039 A CB -1.018 17.981 19.000 -0.002 0.000 1.057 1039 A HN 1.202 nan 8.150 nan 0.000 0.602 1040 S N 0.847 116.552 115.700 0.009 0.000 2.571 1040 S HA 0.106 4.576 4.470 0.000 0.000 0.245 1040 S C 0.481 175.095 174.600 0.024 0.000 0.976 1040 S CA 1.404 59.612 58.200 0.013 0.000 0.954 1040 S CB -0.494 62.712 63.200 0.010 0.000 0.756 1040 S HN 0.769 nan 8.310 nan 0.000 0.535 1041 M N -1.712 117.906 119.600 0.029 0.000 3.502 1041 M HA 0.372 4.852 4.480 0.000 0.000 0.379 1041 M C -0.286 176.040 176.300 0.043 0.000 1.462 1041 M CA -0.175 55.149 55.300 0.041 0.000 0.916 1041 M CB 0.205 32.824 32.600 0.031 0.000 2.375 1041 M HN -0.040 nan 8.290 nan 0.000 0.532 1042 R N 0.235 120.762 120.500 0.045 0.000 4.000 1042 R HA -0.223 4.118 4.340 0.000 0.000 0.348 1042 R C 0.225 176.559 176.300 0.057 0.000 1.204 1042 R CA 2.436 58.560 56.100 0.040 0.000 0.987 1042 R CB -1.332 28.981 30.300 0.022 0.000 1.446 1042 R HN 0.745 nan 8.270 nan 0.000 0.555 1043 E N -2.502 117.754 120.200 0.094 0.000 2.314 1043 E HA 0.114 4.464 4.350 0.000 0.000 0.216 1043 E C 1.167 177.929 176.600 0.270 0.000 1.048 1043 E CA 0.025 56.522 56.400 0.162 0.000 1.575 1043 E CB -0.159 29.594 29.700 0.088 0.000 3.354 1043 E HN 0.243 nan 8.360 nan 0.000 1.075 1044 R N 0.632 121.241 120.500 0.182 0.000 2.193 1044 R HA -0.055 4.285 4.340 0.000 0.000 0.229 1044 R C 1.645 178.062 176.300 0.196 0.000 1.110 1044 R CA 1.397 57.608 56.100 0.184 0.000 0.988 1044 R CB 0.010 30.369 30.300 0.098 0.000 0.871 1044 R HN 0.179 nan 8.270 nan 0.000 0.458 1045 I N -0.323 120.337 120.570 0.151 0.000 2.400 1045 I HA -0.113 4.057 4.170 0.000 0.000 0.248 1045 I C 2.235 178.422 176.117 0.117 0.000 1.109 1045 I CA 1.032 62.396 61.300 0.106 0.000 1.425 1045 I CB -0.477 37.567 38.000 0.073 0.000 1.094 1045 I HN 0.126 nan 8.210 nan 0.000 0.425 1046 E N 0.824 121.132 120.200 0.181 0.000 2.085 1046 E HA -0.272 4.078 4.350 0.000 0.000 0.194 1046 E C 2.190 178.910 176.600 0.199 0.000 0.994 1046 E CA 1.303 57.832 56.400 0.214 0.000 0.801 1046 E CB -0.144 29.741 29.700 0.308 0.000 0.743 1046 E HN 0.398 nan 8.360 nan 0.000 0.453 1047 F N 1.298 121.277 119.950 0.047 0.000 2.031 1047 F HA -0.165 4.362 4.527 0.000 0.000 0.295 1047 F C 1.975 177.613 175.800 -0.271 0.000 1.133 1047 F CA 1.567 59.336 58.000 -0.386 0.000 1.188 1047 F CB -0.456 38.323 39.000 -0.369 0.000 0.974 1047 F HN -0.013 nan 8.300 nan 0.000 0.473 1048 L N 0.309 121.440 121.223 -0.153 0.000 2.261 1048 L HA -0.248 4.093 4.340 0.000 0.000 0.216 1048 L C 2.245 178.962 176.870 -0.255 0.000 1.114 1048 L CA 1.194 55.890 54.840 -0.240 0.000 0.777 1048 L CB -0.811 41.224 42.059 -0.039 0.000 0.910 1048 L HN 0.328 nan 8.230 nan 0.000 0.440 1049 N N 0.094 118.688 118.700 -0.175 0.000 2.333 1049 N HA -0.173 4.568 4.740 0.000 0.000 0.178 1049 N C 1.761 177.148 175.510 -0.204 0.000 1.018 1049 N CA 0.768 53.727 53.050 -0.151 0.000 0.882 1049 N CB 0.279 38.727 38.487 -0.064 0.000 0.984 1049 N HN 0.399 nan 8.380 nan 0.000 0.434 1050 E N 0.218 120.276 120.200 -0.237 0.000 2.153 1050 E HA -0.088 4.262 4.350 0.000 0.000 0.194 1050 E C 1.581 177.980 176.600 -0.335 0.000 0.988 1050 E CA 0.923 57.187 56.400 -0.227 0.000 0.811 1050 E CB 0.051 29.619 29.700 -0.220 0.000 0.746 1050 E HN 0.344 nan 8.360 nan 0.000 0.466 1051 A N 0.101 122.646 122.820 -0.460 0.000 1.970 1051 A HA -0.038 4.282 4.320 0.000 0.000 0.216 1051 A C 2.250 179.524 177.584 -0.516 0.000 1.170 1051 A CA 1.057 52.794 52.037 -0.501 0.000 0.645 1051 A CB -0.162 18.498 19.000 -0.566 0.000 0.816 1051 A HN 0.215 nan 8.150 nan 0.000 0.447 1052 S N -0.045 115.399 115.700 -0.427 0.000 2.399 1052 S HA -0.135 4.335 4.470 0.000 0.000 0.231 1052 S C 1.856 176.183 174.600 -0.455 0.000 1.022 1052 S CA 1.438 59.393 58.200 -0.408 0.000 0.983 1052 S CB -0.413 62.635 63.200 -0.254 0.000 0.803 1052 S HN 0.376 nan 8.310 nan 0.000 0.480 1053 V N 2.289 121.934 119.914 -0.448 0.000 2.261 1053 V HA -0.213 3.908 4.120 0.000 0.000 0.246 1053 V C 2.245 177.748 176.094 -0.984 0.000 1.047 1053 V CA 1.810 63.762 62.300 -0.580 0.000 1.015 1053 V CB -0.723 30.839 31.823 -0.436 0.000 0.642 1053 V HN 0.482 nan 8.190 nan 0.000 0.446 1054 M N -0.482 118.610 119.600 -0.848 0.000 2.260 1054 M HA -0.263 4.218 4.480 0.000 0.000 0.261 1054 M C 2.201 178.067 176.300 -0.724 0.000 1.066 1054 M CA 1.802 56.627 55.300 -0.791 0.000 1.082 1054 M CB -0.626 31.627 32.600 -0.578 0.000 1.388 1054 M HN 0.308 nan 8.290 nan 0.000 0.419 1055 K N 0.178 120.104 120.400 -0.790 0.000 2.044 1055 K HA -0.219 4.102 4.320 0.000 0.000 0.210 1055 K C 1.843 178.268 176.600 -0.291 0.000 1.049 1055 K CA 1.631 57.473 56.287 -0.743 0.000 0.927 1055 K CB -0.240 31.806 32.500 -0.757 0.000 0.713 1055 K HN 0.219 nan 8.250 nan 0.000 0.443 1056 E N -0.013 119.915 120.200 -0.454 0.000 2.153 1056 E HA -0.067 4.283 4.350 0.000 0.000 0.194 1056 E C 0.081 176.586 176.600 -0.159 0.000 0.988 1056 E CA 0.873 57.085 56.400 -0.313 0.000 0.811 1056 E CB -0.053 29.393 29.700 -0.422 0.000 0.746 1056 E HN 0.070 nan 8.360 nan 0.000 0.466 1057 F N 0.369 120.235 119.950 -0.140 0.000 2.382 1057 F HA 0.323 4.850 4.527 0.000 0.000 0.331 1057 F C 0.620 176.461 175.800 0.068 0.000 1.121 1057 F CA -0.732 57.278 58.000 0.016 0.000 1.183 1057 F CB 0.411 39.314 39.000 -0.161 0.000 1.207 1057 F HN -0.181 nan 8.300 nan 0.000 0.555 1058 N N 1.119 120.018 118.700 0.330 0.000 3.151 1058 N HA 0.309 5.049 4.740 0.000 0.000 0.219 1058 N C -2.028 173.362 175.510 -0.201 0.000 1.434 1058 N CA -0.120 52.986 53.050 0.093 0.000 0.767 1058 N CB 0.435 39.015 38.487 0.154 0.000 1.564 1058 N HN 0.741 nan 8.380 nan 0.000 0.612 1059 C N 1.914 121.019 119.300 -0.325 0.000 2.994 1059 C HA 0.426 4.886 4.460 0.000 0.000 0.304 1059 C C 1.519 176.387 174.990 -0.203 0.000 1.273 1059 C CA -0.326 58.408 59.018 -0.472 0.000 1.537 1059 C CB 1.216 28.389 27.740 -0.945 0.000 2.001 1059 C HN 0.947 nan 8.230 nan 0.000 0.471 1060 H N 0.764 119.658 119.070 -0.293 0.000 2.423 1060 H HA 0.032 4.589 4.556 0.000 0.000 0.297 1060 H C 0.974 176.127 175.328 -0.292 0.000 1.075 1060 H CA 2.221 58.083 56.048 -0.309 0.000 1.342 1060 H CB -0.112 29.383 29.762 -0.445 0.000 1.395 1060 H HN 0.823 nan 8.280 nan 0.000 0.530 1061 H N -0.947 118.080 119.070 -0.071 0.000 2.577 1061 H HA 0.412 4.968 4.556 0.000 0.000 0.306 1061 H C -0.867 174.412 175.328 -0.082 0.000 1.109 1061 H CA -0.275 55.721 56.048 -0.087 0.000 1.063 1061 H CB 0.407 30.189 29.762 0.033 0.000 1.535 1061 H HN -0.016 nan 8.280 nan 0.000 0.532 1062 V N 1.384 121.290 119.914 -0.014 0.000 2.577 1062 V HA 0.026 4.146 4.120 0.000 0.000 0.294 1062 V C -0.080 176.040 176.094 0.043 0.000 1.052 1062 V CA -1.033 61.291 62.300 0.040 0.000 0.891 1062 V CB 2.016 33.832 31.823 -0.012 0.000 1.017 1062 V HN 0.072 nan 8.190 nan 0.000 0.436 1063 V N 4.394 124.362 119.914 0.090 0.000 2.742 1063 V HA -0.060 4.061 4.120 0.000 0.000 0.302 1063 V C 0.839 176.962 176.094 0.049 0.000 1.133 1063 V CA 0.511 62.850 62.300 0.065 0.000 1.284 1063 V CB -0.059 31.824 31.823 0.101 0.000 0.850 1063 V HN 0.908 nan 8.190 nan 0.000 0.494 1064 R N 4.575 125.088 120.500 0.021 0.000 2.441 1064 R HA 0.482 4.823 4.340 0.000 0.000 0.284 1064 R C -0.717 175.589 176.300 0.010 0.000 1.070 1064 R CA -0.392 55.722 56.100 0.024 0.000 1.047 1064 R CB 0.823 31.148 30.300 0.042 0.000 1.016 1064 R HN 0.655 nan 8.270 nan 0.000 0.477 1065 L N 5.260 126.468 121.223 -0.024 0.000 2.275 1065 L HA 0.372 4.713 4.340 0.000 0.000 0.288 1065 L C -0.748 176.181 176.870 0.098 0.000 1.046 1065 L CA -0.041 54.751 54.840 -0.080 0.000 0.805 1065 L CB 0.866 42.718 42.059 -0.344 0.000 1.193 1065 L HN 0.780 nan 8.230 nan 0.000 0.426 1066 L N 6.136 127.425 121.223 0.109 0.000 3.094 1066 L HA 0.604 4.945 4.340 0.000 0.000 0.254 1066 L C 0.400 177.392 176.870 0.203 0.000 1.298 1066 L CA -0.112 54.837 54.840 0.183 0.000 1.050 1066 L CB -0.377 41.743 42.059 0.102 0.000 1.420 1066 L HN 0.914 nan 8.230 nan 0.000 0.548 1067 G N -0.169 108.796 108.800 0.274 0.000 2.525 1067 G HA2 0.098 4.058 3.960 0.000 0.000 0.685 1067 G HA3 0.098 4.058 3.960 0.000 0.000 0.685 1067 G C -1.859 173.107 174.900 0.110 0.000 1.285 1067 G CA -0.354 44.896 45.100 0.251 0.000 0.849 1067 G HN -0.082 nan 8.290 nan 0.000 0.653 1068 V N 0.314 120.294 119.914 0.110 0.000 3.102 1068 V HA 0.871 4.991 4.120 0.000 0.000 0.312 1068 V C -0.642 175.494 176.094 0.070 0.000 1.135 1068 V CA -0.560 61.765 62.300 0.042 0.000 1.022 1068 V CB 2.294 34.103 31.823 -0.024 0.000 1.056 1068 V HN 1.505 nan 8.190 nan 0.000 0.436 1069 V N 5.006 124.962 119.914 0.070 0.000 2.467 1069 V HA 0.281 4.401 4.120 0.000 0.000 0.260 1069 V C 0.728 176.866 176.094 0.073 0.000 0.963 1069 V CA 0.488 62.829 62.300 0.069 0.000 0.856 1069 V CB 0.511 32.374 31.823 0.065 0.000 1.087 1069 V HN 1.100 nan 8.190 nan 0.000 0.467 1070 S N 2.554 118.292 115.700 0.063 0.000 2.365 1070 S HA 0.008 4.478 4.470 0.000 0.000 0.194 1070 S C 0.792 175.423 174.600 0.052 0.000 1.093 1070 S CA 0.170 58.408 58.200 0.063 0.000 1.224 1070 S CB -0.411 62.818 63.200 0.049 0.000 0.961 1070 S HN 0.643 nan 8.310 nan 0.000 0.412 1071 Q N 2.593 122.417 119.800 0.041 0.000 2.388 1071 Q HA 0.432 4.772 4.340 0.000 0.000 0.302 1071 Q C 0.352 176.370 176.000 0.031 0.000 1.149 1071 Q CA 0.494 56.316 55.803 0.033 0.000 1.014 1071 Q CB -0.579 28.175 28.738 0.028 0.000 1.072 1071 Q HN 0.768 nan 8.270 nan 0.000 0.395 1072 G N 1.214 110.031 108.800 0.028 0.000 2.356 1072 G HA2 -0.073 3.887 3.960 0.000 0.000 0.288 1072 G HA3 -0.073 3.887 3.960 0.000 0.000 0.288 1072 G C -0.669 174.244 174.900 0.022 0.000 1.302 1072 G CA -0.921 44.193 45.100 0.023 0.000 0.887 1072 G HN 0.364 nan 8.290 nan 0.000 0.521 1073 Q N -0.031 119.779 119.800 0.017 0.000 1.446 1073 Q HA 0.058 4.399 4.340 0.000 0.000 0.844 1073 Q C -1.676 174.333 176.000 0.014 0.000 0.926 1073 Q CA 0.479 56.289 55.803 0.012 0.000 0.904 1073 Q CB -1.317 27.426 28.738 0.007 0.000 2.058 1073 Q HN 0.319 nan 8.270 nan 0.000 0.257 1074 P HA -0.006 nan 4.420 nan 0.000 0.257 1074 P C -0.949 176.360 177.300 0.016 0.000 1.189 1074 P CA 0.632 63.737 63.100 0.008 0.000 0.780 1074 P CB 0.014 31.725 31.700 0.019 0.000 0.772 1075 T N 5.311 119.869 114.554 0.006 0.000 2.793 1075 T HA 0.246 4.596 4.350 0.000 0.000 0.289 1075 T C 0.343 175.086 174.700 0.071 0.000 0.956 1075 T CA 0.376 62.506 62.100 0.051 0.000 1.177 1075 T CB -0.626 68.284 68.868 0.070 0.000 0.897 1075 T HN 0.172 nan 8.240 nan 0.000 0.533 1076 L N 2.138 123.456 121.223 0.159 0.000 2.303 1076 L HA 1.003 5.343 4.340 0.000 0.000 0.256 1076 L C -0.965 176.059 176.870 0.257 0.000 1.034 1076 L CA -1.213 53.770 54.840 0.238 0.000 0.832 1076 L CB 1.504 43.647 42.059 0.141 0.000 1.403 1076 L HN 0.248 nan 8.230 nan 0.000 0.419 1077 V N 1.721 121.788 119.914 0.254 0.000 2.760 1077 V HA 0.610 4.730 4.120 0.000 0.000 0.309 1077 V C -0.452 175.687 176.094 0.074 0.000 1.077 1077 V CA -0.392 61.955 62.300 0.079 0.000 0.910 1077 V CB 1.978 33.728 31.823 -0.121 0.000 1.008 1077 V HN 0.912 nan 8.190 nan 0.000 0.424 1078 I N 3.396 123.993 120.570 0.045 0.000 2.433 1078 I HA 0.889 5.059 4.170 0.000 0.000 0.292 1078 I C -0.497 175.639 176.117 0.031 0.000 1.001 1078 I CA -0.542 60.790 61.300 0.053 0.000 1.119 1078 I CB 1.770 39.807 38.000 0.062 0.000 1.289 1078 I HN 0.800 nan 8.210 nan 0.000 0.438 1079 M N 2.469 122.088 119.600 0.031 0.000 2.664 1079 M HA 0.490 4.970 4.480 0.000 0.000 0.279 1079 M C -0.556 175.761 176.300 0.029 0.000 1.275 1079 M CA -0.788 54.526 55.300 0.022 0.000 0.829 1079 M CB 1.701 34.300 32.600 -0.002 0.000 1.727 1079 M HN 0.706 nan 8.290 nan 0.000 0.459 1080 E N 1.923 122.139 120.200 0.027 0.000 3.025 1080 E HA -0.045 4.306 4.350 0.000 0.000 0.248 1080 E C -1.130 175.479 176.600 0.014 0.000 0.938 1080 E CA -0.009 56.404 56.400 0.020 0.000 0.958 1080 E CB 0.429 30.137 29.700 0.014 0.000 0.898 1080 E HN 0.631 nan 8.360 nan 0.000 0.537 1081 L N 5.757 126.987 121.223 0.012 0.000 2.455 1081 L HA 0.027 4.367 4.340 0.000 0.000 0.272 1081 L C -0.187 176.676 176.870 -0.011 0.000 1.174 1081 L CA 0.152 54.996 54.840 0.007 0.000 0.869 1081 L CB 0.393 42.456 42.059 0.008 0.000 1.130 1081 L HN 0.686 nan 8.230 nan 0.000 0.474 1082 M N 4.995 124.586 119.600 -0.015 0.000 2.158 1082 M HA 0.125 4.605 4.480 0.000 0.000 0.326 1082 M C 1.239 177.513 176.300 -0.044 0.000 1.014 1082 M CA -0.382 54.896 55.300 -0.037 0.000 0.961 1082 M CB 0.536 33.119 32.600 -0.029 0.000 1.327 1082 M HN 0.663 nan 8.290 nan 0.000 0.393 1083 T N -0.533 113.986 114.554 -0.058 0.000 2.778 1083 T HA -0.156 4.194 4.350 0.000 0.000 0.269 1083 T C 1.376 176.038 174.700 -0.063 0.000 1.050 1083 T CA 1.262 63.328 62.100 -0.056 0.000 1.137 1083 T CB -0.117 68.708 68.868 -0.072 0.000 0.860 1083 T HN 0.613 nan 8.240 nan 0.000 0.468 1084 R N 1.640 122.077 120.500 -0.104 0.000 2.310 1084 R HA 0.411 4.751 4.340 0.000 0.000 0.202 1084 R C 1.485 177.772 176.300 -0.021 0.000 0.933 1084 R CA 0.226 56.270 56.100 -0.094 0.000 1.054 1084 R CB -0.406 29.751 30.300 -0.239 0.000 0.985 1084 R HN 0.618 nan 8.270 nan 0.000 0.489 1085 G N 2.686 111.478 108.800 -0.013 0.000 2.855 1085 G HA2 -0.265 3.695 3.960 0.000 0.000 0.352 1085 G HA3 -0.265 3.695 3.960 0.000 0.000 0.352 1085 G C -0.634 174.285 174.900 0.031 0.000 1.415 1085 G CA -0.314 44.799 45.100 0.020 0.000 0.871 1085 G HN 0.477 nan 8.290 nan 0.000 0.543 1086 D N -0.182 120.243 120.400 0.042 0.000 2.449 1086 D HA 0.137 4.777 4.640 0.000 0.000 0.236 1086 D C 1.719 178.076 176.300 0.096 0.000 1.149 1086 D CA -0.082 53.945 54.000 0.044 0.000 0.878 1086 D CB 1.059 41.876 40.800 0.028 0.000 1.198 1086 D HN 0.635 nan 8.370 nan 0.000 0.446 1087 L N 1.237 122.515 121.223 0.092 0.000 2.081 1087 L HA -0.222 4.118 4.340 0.000 0.000 0.212 1087 L C 2.250 179.220 176.870 0.167 0.000 1.080 1087 L CA 1.778 56.715 54.840 0.161 0.000 0.754 1087 L CB -0.644 41.484 42.059 0.116 0.000 0.893 1087 L HN 0.451 nan 8.230 nan 0.000 0.433 1088 K N -0.784 119.680 120.400 0.108 0.000 2.026 1088 K HA -0.103 4.218 4.320 0.000 0.000 0.208 1088 K C 2.121 178.775 176.600 0.090 0.000 1.048 1088 K CA 1.750 58.096 56.287 0.098 0.000 0.929 1088 K CB -0.293 32.252 32.500 0.075 0.000 0.713 1088 K HN 0.389 nan 8.250 nan 0.000 0.439 1089 S N 0.271 116.028 115.700 0.094 0.000 2.356 1089 S HA -0.164 4.306 4.470 0.000 0.000 0.223 1089 S C 1.756 176.423 174.600 0.112 0.000 1.032 1089 S CA 1.333 59.586 58.200 0.088 0.000 1.005 1089 S CB -0.528 62.722 63.200 0.084 0.000 0.867 1089 S HN 0.438 nan 8.310 nan 0.000 0.449 1090 Y N 2.217 122.541 120.300 0.039 0.000 2.165 1090 Y HA -0.125 4.425 4.550 0.000 0.000 0.286 1090 Y C 1.842 177.772 175.900 0.050 0.000 1.155 1090 Y CA 1.299 59.431 58.100 0.052 0.000 1.164 1090 Y CB -0.565 37.936 38.460 0.069 0.000 0.978 1090 Y HN 0.154 nan 8.280 nan 0.000 0.513 1091 L N -0.056 121.101 121.223 -0.110 0.000 2.027 1091 L HA -0.211 4.129 4.340 0.000 0.000 0.206 1091 L C 2.798 179.567 176.870 -0.168 0.000 1.074 1091 L CA 1.763 56.473 54.840 -0.217 0.000 0.745 1091 L CB -0.596 41.435 42.059 -0.046 0.000 0.898 1091 L HN 0.138 nan 8.230 nan 0.000 0.433 1092 R N 0.254 120.713 120.500 -0.067 0.000 2.117 1092 R HA -0.226 4.114 4.340 0.000 0.000 0.243 1092 R C 2.529 178.788 176.300 -0.068 0.000 1.143 1092 R CA 1.963 58.038 56.100 -0.042 0.000 0.968 1092 R CB -0.246 30.055 30.300 0.003 0.000 0.863 1092 R HN 0.491 nan 8.270 nan 0.000 0.444 1093 S N 0.257 115.906 115.700 -0.086 0.000 2.399 1093 S HA -0.099 4.371 4.470 0.000 0.000 0.231 1093 S C 2.010 176.541 174.600 -0.115 0.000 1.022 1093 S CA 1.022 59.177 58.200 -0.076 0.000 0.983 1093 S CB -0.363 62.813 63.200 -0.041 0.000 0.803 1093 S HN 0.402 nan 8.310 nan 0.000 0.480 1094 L N 0.665 121.764 121.223 -0.207 0.000 2.291 1094 L HA 0.079 4.419 4.340 0.000 0.000 0.214 1094 L C 1.269 178.066 176.870 -0.121 0.000 1.120 1094 L CA 0.379 55.105 54.840 -0.191 0.000 0.799 1094 L CB -0.464 41.421 42.059 -0.289 0.000 0.925 1094 L HN 0.192 nan 8.230 nan 0.000 0.446 1095 R N 1.255 121.692 120.500 -0.104 0.000 2.585 1095 R HA -0.012 4.329 4.340 0.000 0.000 0.275 1095 R C -1.191 175.075 176.300 -0.057 0.000 1.018 1095 R CA -0.966 55.088 56.100 -0.077 0.000 1.072 1095 R CB -0.048 30.214 30.300 -0.063 0.000 0.953 1095 R HN -0.029 nan 8.270 nan 0.000 0.419 1096 P HA -0.248 nan 4.420 nan 0.000 0.216 1096 P C 0.972 178.254 177.300 -0.030 0.000 1.153 1096 P CA 1.062 64.139 63.100 -0.039 0.000 0.848 1096 P CB 0.093 31.770 31.700 -0.039 0.000 0.787 1097 E N 0.167 120.349 120.200 -0.030 0.000 2.271 1097 E HA -0.216 4.134 4.350 0.000 0.000 0.209 1097 E C 0.929 177.519 176.600 -0.016 0.000 1.046 1097 E CA 1.079 57.466 56.400 -0.022 0.000 0.840 1097 E CB -0.371 29.316 29.700 -0.022 0.000 0.738 1097 E HN 0.279 nan 8.360 nan 0.000 0.470 1098 M N 1.841 121.430 119.600 -0.018 0.000 3.106 1098 M HA 0.095 4.575 4.480 0.000 0.000 0.213 1098 M C -0.525 175.769 176.300 -0.011 0.000 1.117 1098 M CA -0.588 54.705 55.300 -0.012 0.000 0.900 1098 M CB 0.443 33.037 32.600 -0.010 0.000 1.339 1098 M HN -0.178 nan 8.290 nan 0.000 0.542 1103 V N -1.124 118.808 119.914 0.030 0.000 3.309 1103 V HA 0.201 4.322 4.120 0.000 0.000 0.268 1103 V C -0.779 175.347 176.094 0.052 0.000 1.631 1103 V CA 0.176 62.502 62.300 0.044 0.000 1.018 1103 V CB 0.635 32.496 31.823 0.062 0.000 0.841 1103 V HN 0.312 nan 8.190 nan 0.000 0.418 1104 L N 1.010 122.262 121.223 0.048 0.000 2.362 1104 L HA 0.821 5.162 4.340 0.000 0.000 0.275 1104 L C 0.211 177.071 176.870 -0.017 0.000 0.998 1104 L CA -0.345 54.518 54.840 0.037 0.000 0.820 1104 L CB 1.128 43.248 42.059 0.101 0.000 1.270 1104 L HN 0.169 nan 8.230 nan 0.000 0.415 1105 A N 4.884 127.683 122.820 -0.035 0.000 2.304 1105 A HA 0.779 5.099 4.320 0.000 0.000 0.271 1105 A C -2.134 175.404 177.584 -0.077 0.000 1.091 1105 A CA -1.027 50.978 52.037 -0.053 0.000 0.812 1105 A CB -0.301 18.670 19.000 -0.048 0.000 1.056 1105 A HN 0.583 nan 8.150 nan 0.000 0.489 1106 P HA 0.196 nan 4.420 nan 0.000 0.270 1106 P C -2.341 174.904 177.300 -0.091 0.000 1.221 1106 P CA -0.391 62.648 63.100 -0.102 0.000 0.788 1106 P CB -0.442 31.202 31.700 -0.094 0.000 0.904 1107 P HA 0.117 nan 4.420 nan 0.000 0.272 1107 P C -0.568 176.690 177.300 -0.070 0.000 1.240 1107 P CA -0.210 62.847 63.100 -0.072 0.000 0.791 1107 P CB 0.342 32.012 31.700 -0.049 0.000 0.978 1108 S N 1.008 116.668 115.700 -0.066 0.000 2.651 1108 S HA 0.225 4.695 4.470 0.000 0.000 0.291 1108 S C 1.049 175.617 174.600 -0.053 0.000 1.141 1108 S CA -0.805 57.360 58.200 -0.058 0.000 1.027 1108 S CB 0.614 63.781 63.200 -0.055 0.000 1.043 1108 S HN 0.459 nan 8.310 nan 0.000 0.530 1109 L N 1.519 122.712 121.223 -0.049 0.000 2.137 1109 L HA -0.138 4.202 4.340 0.000 0.000 0.213 1109 L C 1.912 178.756 176.870 -0.043 0.000 1.085 1109 L CA 2.211 57.024 54.840 -0.045 0.000 0.760 1109 L CB -1.684 40.352 42.059 -0.038 0.000 0.893 1109 L HN 0.870 nan 8.230 nan 0.000 0.434 1110 S N -0.087 115.588 115.700 -0.042 0.000 2.335 1110 S HA -0.096 4.374 4.470 0.000 0.000 0.217 1110 S C 1.716 176.289 174.600 -0.046 0.000 1.032 1110 S CA 0.756 58.932 58.200 -0.041 0.000 0.985 1110 S CB -0.071 63.108 63.200 -0.036 0.000 0.896 1110 S HN 0.358 nan 8.310 nan 0.000 0.445 1111 K N 1.173 121.544 120.400 -0.049 0.000 2.360 1111 K HA 0.053 4.374 4.320 0.000 0.000 0.201 1111 K C 1.710 178.287 176.600 -0.037 0.000 1.046 1111 K CA 0.927 57.184 56.287 -0.051 0.000 0.940 1111 K CB -0.398 32.058 32.500 -0.074 0.000 0.748 1111 K HN 0.478 nan 8.250 nan 0.000 0.465 1112 M N -0.608 118.968 119.600 -0.041 0.000 2.357 1112 M HA -0.022 4.458 4.480 0.000 0.000 0.266 1112 M C 1.747 178.023 176.300 -0.040 0.000 1.095 1112 M CA 0.680 55.958 55.300 -0.038 0.000 1.156 1112 M CB -0.124 32.447 32.600 -0.049 0.000 1.365 1112 M HN -0.080 nan 8.290 nan 0.000 0.447 1113 I N 0.822 121.363 120.570 -0.048 0.000 2.142 1113 I HA -0.257 3.913 4.170 0.000 0.000 0.240 1113 I C 2.524 178.593 176.117 -0.079 0.000 1.078 1113 I CA 1.706 62.972 61.300 -0.056 0.000 1.343 1113 I CB -1.451 36.511 38.000 -0.064 0.000 1.046 1113 I HN 0.329 nan 8.210 nan 0.000 0.405 1114 Q N 0.847 120.597 119.800 -0.084 0.000 2.112 1114 Q HA -0.234 4.106 4.340 0.000 0.000 0.206 1114 Q C 2.275 178.229 176.000 -0.078 0.000 0.987 1114 Q CA 1.974 57.714 55.803 -0.105 0.000 0.858 1114 Q CB -0.438 28.269 28.738 -0.052 0.000 0.905 1114 Q HN 0.459 nan 8.270 nan 0.000 0.420 1115 M N -1.213 118.368 119.600 -0.032 0.000 2.132 1115 M HA -0.099 4.381 4.480 0.000 0.000 0.263 1115 M C 1.876 178.187 176.300 0.018 0.000 1.065 1115 M CA 1.628 56.928 55.300 0.000 0.000 1.122 1115 M CB -0.146 32.467 32.600 0.021 0.000 1.365 1115 M HN 0.341 nan 8.290 nan 0.000 0.411 1116 A N -0.274 122.561 122.820 0.024 0.000 1.873 1116 A HA -0.013 4.308 4.320 0.000 0.000 0.215 1116 A C 2.227 179.945 177.584 0.225 0.000 1.186 1116 A CA 1.649 53.777 52.037 0.152 0.000 0.616 1116 A CB -1.569 17.502 19.000 0.118 0.000 0.823 1116 A HN 0.579 nan 8.150 nan 0.000 0.442 1117 G N -0.493 108.308 108.800 0.003 0.000 2.448 1117 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 1117 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 1117 G C 1.398 176.198 174.900 -0.166 0.000 1.127 1117 G CA 1.010 46.022 45.100 -0.147 0.000 0.766 1117 G HN 0.672 nan 8.290 nan 0.000 0.552 1118 E N -0.040 120.049 120.200 -0.186 0.000 2.076 1118 E HA 0.015 4.365 4.350 0.000 0.000 0.190 1118 E C 2.498 178.961 176.600 -0.227 0.000 0.979 1118 E CA 0.365 56.531 56.400 -0.389 0.000 0.807 1118 E CB -0.086 29.427 29.700 -0.312 0.000 0.761 1118 E HN 0.459 nan 8.360 nan 0.000 0.454 1119 I N 1.428 121.985 120.570 -0.022 0.000 2.179 1119 I HA -0.275 3.895 4.170 0.000 0.000 0.242 1119 I C 2.602 178.693 176.117 -0.044 0.000 1.088 1119 I CA 1.046 62.382 61.300 0.060 0.000 1.357 1119 I CB -0.395 37.772 38.000 0.279 0.000 1.051 1119 I HN 0.076 nan 8.210 nan 0.000 0.409 1120 A N 0.376 123.166 122.820 -0.050 0.000 1.933 1120 A HA -0.300 4.020 4.320 0.000 0.000 0.218 1120 A C 1.970 179.486 177.584 -0.112 0.000 1.175 1120 A CA 2.329 54.211 52.037 -0.258 0.000 0.628 1120 A CB -0.747 18.134 19.000 -0.198 0.000 0.814 1120 A HN 0.459 nan 8.150 nan 0.000 0.444 1121 D N -0.759 119.681 120.400 0.067 0.000 2.117 1121 D HA -0.051 4.589 4.640 0.000 0.000 0.197 1121 D C 1.998 178.380 176.300 0.135 0.000 0.987 1121 D CA 1.672 55.839 54.000 0.278 0.000 0.829 1121 D CB -0.376 40.749 40.800 0.543 0.000 0.961 1121 D HN 0.313 nan 8.370 nan 0.000 0.460 1122 G N -0.233 108.596 108.800 0.048 0.000 2.408 1122 G HA2 -0.212 3.749 3.960 0.000 0.000 0.217 1122 G HA3 -0.212 3.749 3.960 0.000 0.000 0.217 1122 G C 1.502 176.297 174.900 -0.176 0.000 1.150 1122 G CA 0.584 45.672 45.100 -0.021 0.000 0.776 1122 G HN 0.157 nan 8.290 nan 0.000 0.542 1123 M N 1.197 120.559 119.600 -0.396 0.000 2.099 1123 M HA 0.147 4.628 4.480 0.000 0.000 0.262 1123 M C 3.035 179.034 176.300 -0.502 0.000 1.067 1123 M CA 1.062 55.938 55.300 -0.708 0.000 1.124 1123 M CB -1.331 30.151 32.600 -1.863 0.000 1.353 1123 M HN 0.301 nan 8.290 nan 0.000 0.410 1124 A N -0.769 121.853 122.820 -0.330 0.000 1.917 1124 A HA -0.257 4.063 4.320 0.000 0.000 0.219 1124 A C 2.183 179.640 177.584 -0.211 0.000 1.182 1124 A CA 1.919 53.961 52.037 0.008 0.000 0.633 1124 A CB -1.253 17.914 19.000 0.278 0.000 0.819 1124 A HN 0.551 nan 8.150 nan 0.000 0.448 1125 Y N 0.332 120.220 120.300 -0.687 0.000 2.163 1125 Y HA -0.099 4.451 4.550 0.000 0.000 0.288 1125 Y C 1.968 177.596 175.900 -0.453 0.000 1.136 1125 Y CA 1.675 59.127 58.100 -1.080 0.000 1.147 1125 Y CB -0.309 37.569 38.460 -0.969 0.000 0.987 1125 Y HN 0.210 nan 8.280 nan 0.000 0.509 1126 L N 0.522 121.552 121.223 -0.322 0.000 2.012 1126 L HA -0.289 4.051 4.340 0.000 0.000 0.210 1126 L C 2.368 179.207 176.870 -0.052 0.000 1.073 1126 L CA 2.092 56.762 54.840 -0.283 0.000 0.748 1126 L CB -0.926 40.999 42.059 -0.224 0.000 0.891 1126 L HN 0.381 nan 8.230 nan 0.000 0.431 1127 N N 0.499 119.180 118.700 -0.032 0.000 2.120 1127 N HA -0.189 4.551 4.740 0.000 0.000 0.188 1127 N C 1.783 177.302 175.510 0.015 0.000 1.024 1127 N CA 1.558 54.639 53.050 0.052 0.000 0.852 1127 N CB -0.129 38.425 38.487 0.113 0.000 1.003 1127 N HN 0.254 nan 8.380 nan 0.000 0.424 1128 A N 0.142 122.934 122.820 -0.047 0.000 1.940 1128 A HA -0.133 4.187 4.320 0.000 0.000 0.219 1128 A C 1.586 179.151 177.584 -0.031 0.000 1.176 1128 A CA 1.748 53.781 52.037 -0.007 0.000 0.631 1128 A CB -0.749 18.272 19.000 0.035 0.000 0.814 1128 A HN 0.527 nan 8.150 nan 0.000 0.446 1129 N N -0.163 118.486 118.700 -0.085 0.000 2.322 1129 N HA 0.138 4.878 4.740 0.000 0.000 0.216 1129 N C -0.710 174.830 175.510 0.050 0.000 1.144 1129 N CA 0.106 53.166 53.050 0.018 0.000 0.830 1129 N CB -0.042 38.484 38.487 0.065 0.000 1.034 1129 N HN 0.375 nan 8.380 nan 0.000 0.484 1130 K N -0.114 120.280 120.400 -0.010 0.000 3.372 1130 K HA -0.185 4.135 4.320 0.000 0.000 0.272 1130 K C -1.161 175.274 176.600 -0.275 0.000 1.037 1130 K CA 0.576 56.793 56.287 -0.116 0.000 0.777 1130 K CB -1.767 30.629 32.500 -0.172 0.000 1.347 1130 K HN 0.151 nan 8.250 nan 0.000 0.460 1131 F N -0.642 119.331 119.950 0.038 0.000 2.588 1131 F HA 0.549 5.076 4.527 0.001 0.000 0.314 1131 F C 0.185 176.037 175.800 0.087 0.000 1.069 1131 F CA -0.914 57.140 58.000 0.090 0.000 0.931 1131 F CB 2.044 41.146 39.000 0.170 0.000 1.260 1131 F HN -0.184 nan 8.300 nan 0.000 0.465 1132 V N 2.599 122.721 119.914 0.347 0.000 2.638 1132 V HA 0.217 4.338 4.120 0.000 0.000 0.306 1132 V C 0.392 176.658 176.094 0.287 0.000 1.052 1132 V CA -0.606 61.859 62.300 0.274 0.000 0.885 1132 V CB 1.648 33.602 31.823 0.219 0.000 0.999 1132 V HN 0.855 nan 8.190 nan 0.000 0.424 1133 H N 3.869 123.052 119.070 0.188 0.000 2.448 1133 H HA 0.114 4.670 4.556 0.000 0.000 0.292 1133 H C 1.616 177.003 175.328 0.099 0.000 1.035 1133 H CA 1.557 57.681 56.048 0.127 0.000 1.349 1133 H CB 0.446 30.241 29.762 0.055 0.000 1.425 1133 H HN 0.735 nan 8.280 nan 0.000 0.539 1134 R N -0.671 120.033 120.500 0.341 0.000 4.021 1134 R HA -0.220 4.120 4.340 0.000 0.000 0.448 1134 R C -0.387 176.090 176.300 0.296 0.000 0.916 1134 R CA 1.615 57.863 56.100 0.246 0.000 1.618 1134 R CB -1.375 28.808 30.300 -0.196 0.000 2.271 1134 R HN 0.324 nan 8.270 nan 0.000 0.507 1135 D N 0.116 120.741 120.400 0.375 0.000 2.968 1135 D HA 0.185 4.825 4.640 0.000 0.000 0.301 1135 D C -1.448 174.829 176.300 -0.037 0.000 1.226 1135 D CA -0.434 53.697 54.000 0.218 0.000 0.746 1135 D CB 0.451 41.342 40.800 0.152 0.000 1.278 1135 D HN 0.041 nan 8.370 nan 0.000 0.544 1136 L N 1.818 122.972 121.223 -0.116 0.000 2.281 1136 L HA 0.822 5.162 4.340 0.000 0.000 0.285 1136 L C -0.743 176.072 176.870 -0.092 0.000 1.074 1136 L CA -0.021 54.630 54.840 -0.315 0.000 0.817 1136 L CB 0.630 42.612 42.059 -0.129 0.000 1.168 1136 L HN 0.300 nan 8.230 nan 0.000 0.434 1137 A N 3.868 126.555 122.820 -0.222 0.000 2.608 1137 A HA 0.688 5.008 4.320 0.000 0.000 0.292 1137 A C 0.632 178.130 177.584 -0.144 0.000 1.066 1137 A CA -0.152 51.726 52.037 -0.266 0.000 0.676 1137 A CB 0.511 18.863 19.000 -1.079 0.000 1.277 1137 A HN 1.065 nan 8.150 nan 0.000 0.413 1138 A N 1.060 123.891 122.820 0.018 0.000 1.940 1138 A HA -0.257 4.063 4.320 0.000 0.000 0.221 1138 A C 1.967 179.535 177.584 -0.027 0.000 1.190 1138 A CA 2.477 54.540 52.037 0.044 0.000 0.647 1138 A CB -0.797 18.285 19.000 0.136 0.000 0.821 1138 A HN 1.214 nan 8.150 nan 0.000 0.457 1139 R N -0.648 119.790 120.500 -0.102 0.000 2.200 1139 R HA -0.082 4.258 4.340 0.000 0.000 0.234 1139 R C 0.139 176.385 176.300 -0.090 0.000 1.127 1139 R CA 1.567 57.609 56.100 -0.097 0.000 0.989 1139 R CB -0.524 29.680 30.300 -0.159 0.000 0.869 1139 R HN 0.448 nan 8.270 nan 0.000 0.459 1140 N N 0.030 118.655 118.700 -0.125 0.000 2.321 1140 N HA 0.144 4.884 4.740 0.000 0.000 0.242 1140 N C -1.067 174.375 175.510 -0.114 0.000 1.141 1140 N CA -0.163 52.818 53.050 -0.116 0.000 0.864 1140 N CB 0.775 39.179 38.487 -0.138 0.000 1.100 1140 N HN 0.117 nan 8.380 nan 0.000 0.510 1141 C N 1.273 120.533 119.300 -0.066 0.000 2.455 1141 C HA 0.575 5.035 4.460 0.000 0.000 0.320 1141 C C 0.018 175.000 174.990 -0.014 0.000 1.226 1141 C CA -0.837 58.155 59.018 -0.043 0.000 1.569 1141 C CB 1.197 28.927 27.740 -0.016 0.000 2.200 1141 C HN 0.222 nan 8.230 nan 0.000 0.491 1142 M N 2.507 122.098 119.600 -0.014 0.000 2.598 1142 M HA 0.636 5.116 4.480 0.000 0.000 0.317 1142 M C -0.592 175.691 176.300 -0.029 0.000 1.201 1142 M CA -0.684 54.609 55.300 -0.013 0.000 0.971 1142 M CB 1.270 33.864 32.600 -0.011 0.000 1.657 1142 M HN 0.287 nan 8.290 nan 0.000 0.470 1143 V N 1.131 121.007 119.914 -0.064 0.000 2.531 1143 V HA 0.699 4.819 4.120 0.000 0.000 0.301 1143 V C 0.072 176.069 176.094 -0.161 0.000 1.034 1143 V CA -1.093 61.127 62.300 -0.133 0.000 0.865 1143 V CB 1.451 33.114 31.823 -0.267 0.000 0.995 1143 V HN 1.018 nan 8.190 nan 0.000 0.424 1144 A N 2.608 125.338 122.820 -0.150 0.000 2.304 1144 A HA 0.562 4.882 4.320 0.000 0.000 0.271 1144 A C 1.214 178.635 177.584 -0.271 0.000 1.091 1144 A CA -0.066 51.879 52.037 -0.155 0.000 0.812 1144 A CB 0.509 19.451 19.000 -0.096 0.000 1.056 1144 A HN 0.963 nan 8.150 nan 0.000 0.489 1145 E N 0.693 120.748 120.200 -0.243 0.000 2.086 1145 E HA -0.252 4.098 4.350 0.000 0.000 0.200 1145 E C 1.137 177.439 176.600 -0.497 0.000 1.012 1145 E CA 2.206 58.406 56.400 -0.334 0.000 0.812 1145 E CB -0.068 29.519 29.700 -0.190 0.000 0.743 1145 E HN 0.751 nan 8.360 nan 0.000 0.453 1146 D N -1.088 119.149 120.400 -0.272 0.000 2.323 1146 D HA -0.136 4.504 4.640 0.000 0.000 0.239 1146 D C -0.071 176.227 176.300 -0.004 0.000 1.129 1146 D CA 0.060 53.976 54.000 -0.139 0.000 0.865 1146 D CB -0.497 40.306 40.800 0.005 0.000 0.913 1146 D HN 0.315 nan 8.370 nan 0.000 0.517 1147 F N -1.128 118.780 119.950 -0.071 0.000 2.748 1147 F HA -0.247 4.281 4.527 0.000 0.000 0.370 1147 F C 0.575 176.331 175.800 -0.073 0.000 0.620 1147 F CA 0.826 58.755 58.000 -0.117 0.000 1.233 1147 F CB -2.640 36.320 39.000 -0.068 0.000 1.708 1147 F HN -0.074 nan 8.300 nan 0.000 0.298 1148 T N 1.822 116.429 114.554 0.088 0.000 2.928 1148 T HA 0.429 4.779 4.350 0.000 0.000 0.305 1148 T C 0.459 175.180 174.700 0.035 0.000 1.035 1148 T CA -0.142 62.014 62.100 0.094 0.000 1.145 1148 T CB 1.430 70.342 68.868 0.074 0.000 0.963 1148 T HN 0.038 nan 8.240 nan 0.000 0.545 1149 V N 4.716 124.660 119.914 0.049 0.000 2.483 1149 V HA 0.496 4.617 4.120 0.000 0.000 0.295 1149 V C 0.191 176.303 176.094 0.031 0.000 1.035 1149 V CA -0.635 61.677 62.300 0.020 0.000 0.896 1149 V CB 1.578 33.417 31.823 0.027 0.000 0.986 1149 V HN 0.792 nan 8.190 nan 0.000 0.447 1150 K N 3.870 124.279 120.400 0.016 0.000 2.409 1150 K HA 0.660 4.980 4.320 0.000 0.000 0.252 1150 K C -1.268 175.335 176.600 0.006 0.000 1.036 1150 K CA -0.971 55.334 56.287 0.030 0.000 0.871 1150 K CB 2.629 35.135 32.500 0.010 0.000 1.374 1150 K HN 0.407 nan 8.250 nan 0.000 0.459 1151 I N 1.582 122.158 120.570 0.009 0.000 2.291 1151 I HA 0.191 4.361 4.170 0.000 0.000 0.292 1151 I C 0.496 176.590 176.117 -0.039 0.000 1.064 1151 I CA 0.005 61.271 61.300 -0.057 0.000 1.269 1151 I CB 0.960 38.914 38.000 -0.076 0.000 1.418 1151 I HN 0.816 nan 8.210 nan 0.000 0.485 1152 G N 4.516 113.266 108.800 -0.083 0.000 4.547 1152 G HA2 0.198 4.158 3.960 0.000 0.000 0.301 1152 G HA3 0.198 4.158 3.960 0.000 0.000 0.301 1152 G C -0.609 174.258 174.900 -0.054 0.000 1.240 1152 G CA -0.031 45.078 45.100 0.016 0.000 0.970 1152 G HN 0.549 nan 8.290 nan 0.000 0.574 1153 D N -0.189 119.973 120.400 -0.396 0.000 2.931 1153 D HA 0.297 4.937 4.640 0.000 0.000 0.215 1153 D C -1.081 174.823 176.300 -0.659 0.000 1.297 1153 D CA -0.624 53.228 54.000 -0.246 0.000 0.892 1153 D CB 1.267 42.005 40.800 -0.104 0.000 1.642 1153 D HN -0.003 nan 8.370 nan 0.000 0.560 1154 F N 1.758 121.665 119.950 -0.071 0.000 2.790 1154 F HA 0.326 4.854 4.527 0.000 0.000 0.371 1154 F C 1.746 177.475 175.800 -0.118 0.000 1.293 1154 F CA -0.657 57.226 58.000 -0.196 0.000 1.205 1154 F CB 1.433 40.344 39.000 -0.148 0.000 1.047 1154 F HN 0.481 nan 8.300 nan 0.000 0.510 1155 G N 0.431 109.260 108.800 0.048 0.000 2.440 1155 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 1155 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 1155 G C 1.409 176.336 174.900 0.046 0.000 1.154 1155 G CA 0.870 46.023 45.100 0.087 0.000 0.767 1155 G HN 0.354 nan 8.290 nan 0.000 0.552 1156 M N 0.336 119.936 119.600 0.001 0.000 2.414 1156 M HA 0.114 4.594 4.480 0.000 0.000 0.251 1156 M C 0.426 176.700 176.300 -0.044 0.000 1.116 1156 M CA 0.027 55.309 55.300 -0.030 0.000 1.056 1156 M CB 0.634 33.212 32.600 -0.037 0.000 1.388 1156 M HN -0.117 nan 8.290 nan 0.000 0.487 1157 T N 4.074 118.588 114.554 -0.067 0.000 2.708 1157 T HA 0.014 4.365 4.350 0.000 0.000 0.271 1157 T C 0.397 175.177 174.700 0.133 0.000 0.985 1157 T CA 0.421 62.518 62.100 -0.005 0.000 1.229 1157 T CB -0.373 68.505 68.868 0.016 0.000 0.934 1157 T HN 0.466 nan 8.240 nan 0.000 0.522 1158 R N 2.063 122.650 120.500 0.146 0.000 3.006 1158 R HA 0.683 5.024 4.340 0.000 0.000 0.235 1158 R C -0.868 175.559 176.300 0.212 0.000 1.362 1158 R CA -1.106 55.086 56.100 0.152 0.000 1.067 1158 R CB 0.876 31.190 30.300 0.023 0.000 1.396 1158 R HN 0.342 nan 8.270 nan 0.000 0.504 1159 D N 0.119 120.565 120.400 0.077 0.000 2.210 1159 D HA 0.084 4.724 4.640 0.000 0.000 0.249 1159 D C 1.625 177.923 176.300 -0.002 0.000 1.062 1159 D CA -0.788 53.148 54.000 -0.107 0.000 0.891 1159 D CB 1.081 41.803 40.800 -0.130 0.000 1.186 1159 D HN 0.606 nan 8.370 nan 0.000 0.432 1160 I N 2.423 122.958 120.570 -0.058 0.000 2.399 1160 I HA -0.053 4.118 4.170 0.000 0.000 0.254 1160 I C 0.328 176.530 176.117 0.142 0.000 1.146 1160 I CA 0.955 62.277 61.300 0.037 0.000 1.412 1160 I CB -1.703 36.291 38.000 -0.010 0.000 1.076 1160 I HN 0.667 nan 8.210 nan 0.000 0.432 1170 G N 0.232 109.028 108.800 -0.006 0.000 4.220 1170 G HA2 0.427 4.387 3.960 0.000 0.000 0.256 1170 G HA3 0.427 4.387 3.960 0.000 0.000 0.256 1170 G C -0.231 174.664 174.900 -0.009 0.000 1.520 1170 G CA -0.651 44.445 45.100 -0.007 0.000 0.608 1170 G HN 0.536 nan 8.290 nan 0.000 0.415 1171 K N 1.320 121.710 120.400 -0.018 0.000 2.319 1171 K HA 0.443 4.763 4.320 0.000 0.000 0.277 1171 K C 0.693 177.276 176.600 -0.028 0.000 1.111 1171 K CA 1.085 57.356 56.287 -0.027 0.000 1.093 1171 K CB 0.373 32.847 32.500 -0.043 0.000 0.910 1171 K HN 0.831 nan 8.250 nan 0.000 0.452 1172 G N 1.888 110.679 108.800 -0.015 0.000 2.317 1172 G HA2 -0.030 3.930 3.960 0.000 0.000 0.445 1172 G HA3 -0.030 3.930 3.960 0.000 0.000 0.445 1172 G C -0.833 174.073 174.900 0.010 0.000 1.486 1172 G CA -1.231 43.863 45.100 -0.009 0.000 0.991 1172 G HN 0.331 nan 8.290 nan 0.000 0.660 1173 L N 0.124 121.358 121.223 0.019 0.000 2.479 1173 L HA 0.435 4.775 4.340 0.000 0.000 0.270 1173 L C 0.950 177.852 176.870 0.053 0.000 1.236 1173 L CA -0.358 54.505 54.840 0.037 0.000 0.823 1173 L CB 0.283 42.370 42.059 0.047 0.000 1.098 1173 L HN 0.473 nan 8.230 nan 0.000 0.500 1174 L N 2.344 123.612 121.223 0.075 0.000 2.343 1174 L HA 0.337 4.678 4.340 0.000 0.000 0.275 1174 L C -1.707 175.251 176.870 0.147 0.000 1.056 1174 L CA -1.597 53.307 54.840 0.106 0.000 0.804 1174 L CB 1.433 43.560 42.059 0.114 0.000 1.203 1174 L HN 0.436 nan 8.230 nan 0.000 0.440 1175 P HA 0.025 nan 4.420 nan 0.000 0.225 1175 P C 1.122 178.650 177.300 0.380 0.000 1.768 1175 P CA -0.084 63.191 63.100 0.292 0.000 0.943 1175 P CB 0.148 31.988 31.700 0.233 0.000 1.936 1176 V N 2.202 122.266 119.914 0.249 0.000 2.236 1176 V HA -0.327 3.793 4.120 0.000 0.000 0.255 1176 V C 2.552 178.727 176.094 0.134 0.000 1.068 1176 V CA 2.219 64.605 62.300 0.143 0.000 1.044 1176 V CB -1.138 30.725 31.823 0.066 0.000 0.653 1176 V HN 0.368 nan 8.190 nan 0.000 0.448 1177 R N -1.432 119.168 120.500 0.168 0.000 2.293 1177 R HA -0.144 4.196 4.340 0.000 0.000 0.219 1177 R C 1.864 178.084 176.300 -0.133 0.000 1.091 1177 R CA 1.443 57.510 56.100 -0.055 0.000 1.004 1177 R CB -0.184 29.944 30.300 -0.286 0.000 0.865 1177 R HN 0.626 nan 8.270 nan 0.000 0.469 1178 W N -0.350 121.079 121.300 0.215 0.000 3.103 1178 W HA 0.279 4.939 4.660 0.000 0.000 0.325 1178 W C 0.071 176.810 176.519 0.367 0.000 1.170 1178 W CA -0.502 57.015 57.345 0.286 0.000 1.712 1178 W CB 0.307 29.898 29.460 0.218 0.000 1.068 1178 W HN 0.011 nan 8.180 nan 0.000 0.592 1179 M N 1.331 121.152 119.600 0.369 0.000 2.211 1179 M HA 0.073 4.554 4.480 0.000 0.000 0.356 1179 M C 1.215 177.298 176.300 -0.362 0.000 1.216 1179 M CA 0.230 55.599 55.300 0.115 0.000 1.134 1179 M CB 1.171 33.800 32.600 0.049 0.000 1.564 1179 M HN -0.249 nan 8.290 nan 0.000 0.463 1180 S N 3.017 118.299 115.700 -0.697 0.000 2.606 1180 S HA 0.215 4.685 4.470 0.000 0.000 0.257 1180 S C -2.146 171.818 174.600 -1.059 0.000 1.327 1180 S CA -0.973 56.328 58.200 -1.499 0.000 0.984 1180 S CB 0.061 62.798 63.200 -0.773 0.000 0.941 1180 S HN 0.455 nan 8.310 nan 0.000 0.576 1181 P HA -0.096 nan 4.420 nan 0.000 0.215 1181 P C 1.771 178.759 177.300 -0.519 0.000 1.157 1181 P CA 1.267 63.904 63.100 -0.771 0.000 0.859 1181 P CB -0.141 30.957 31.700 -1.002 0.000 0.786 1182 E N -0.049 119.855 120.200 -0.492 0.000 2.110 1182 E HA -0.141 4.209 4.350 0.000 0.000 0.193 1182 E C 1.718 178.110 176.600 -0.347 0.000 0.988 1182 E CA 1.607 57.811 56.400 -0.327 0.000 0.804 1182 E CB -1.235 28.314 29.700 -0.252 0.000 0.745 1182 E HN 0.107 nan 8.360 nan 0.000 0.458 1183 S N 1.197 116.617 115.700 -0.466 0.000 2.368 1183 S HA -0.047 4.423 4.470 0.000 0.000 0.225 1183 S C 2.120 176.475 174.600 -0.409 0.000 1.030 1183 S CA 1.149 58.966 58.200 -0.638 0.000 0.999 1183 S CB -0.243 62.510 63.200 -0.746 0.000 0.844 1183 S HN 0.227 nan 8.310 nan 0.000 0.459 1184 L N 0.866 121.895 121.223 -0.322 0.000 2.109 1184 L HA -0.045 4.295 4.340 0.000 0.000 0.207 1184 L C 2.517 179.291 176.870 -0.159 0.000 1.086 1184 L CA 1.163 55.879 54.840 -0.207 0.000 0.760 1184 L CB -0.310 41.613 42.059 -0.227 0.000 0.910 1184 L HN 0.226 nan 8.230 nan 0.000 0.437 1185 K N -0.032 120.260 120.400 -0.180 0.000 1.995 1185 K HA -0.098 4.222 4.320 0.000 0.000 0.207 1185 K C 0.944 177.487 176.600 -0.094 0.000 1.041 1185 K CA 1.445 57.659 56.287 -0.121 0.000 0.942 1185 K CB 0.205 32.636 32.500 -0.114 0.000 0.731 1185 K HN 0.243 nan 8.250 nan 0.000 0.439 1186 D N -1.003 119.330 120.400 -0.110 0.000 2.363 1186 D HA 0.106 4.746 4.640 0.000 0.000 0.214 1186 D C 0.493 176.756 176.300 -0.061 0.000 1.093 1186 D CA 0.586 54.543 54.000 -0.071 0.000 0.837 1186 D CB 0.966 41.731 40.800 -0.058 0.000 0.948 1186 D HN 0.548 nan 8.370 nan 0.000 0.507 1187 G N 1.306 110.046 108.800 -0.101 0.000 2.198 1187 G HA2 -0.284 3.676 3.960 0.000 0.000 0.260 1187 G HA3 -0.284 3.676 3.960 0.000 0.000 0.260 1187 G C 0.357 175.223 174.900 -0.056 0.000 1.025 1187 G CA 0.145 45.228 45.100 -0.027 0.000 0.769 1187 G HN 0.294 nan 8.290 nan 0.000 0.507 1188 V N -0.138 119.627 119.914 -0.249 0.000 2.546 1188 V HA 0.722 4.843 4.120 0.000 0.000 0.284 1188 V C 0.092 175.920 176.094 -0.443 0.000 1.050 1188 V CA -0.124 62.073 62.300 -0.171 0.000 0.981 1188 V CB 1.152 32.907 31.823 -0.114 0.000 0.990 1188 V HN 0.234 nan 8.190 nan 0.000 0.474 1189 F N 2.564 122.544 119.950 0.050 0.000 2.579 1189 F HA 0.605 5.132 4.527 0.000 0.000 0.325 1189 F C 0.336 176.189 175.800 0.088 0.000 1.162 1189 F CA -0.411 57.634 58.000 0.076 0.000 0.946 1189 F CB 2.214 41.261 39.000 0.078 0.000 1.211 1189 F HN 0.617 nan 8.300 nan 0.000 0.447 1190 T N -2.462 112.231 114.554 0.232 0.000 2.831 1190 T HA 0.244 4.594 4.350 0.000 0.000 0.287 1190 T C 0.763 175.539 174.700 0.128 0.000 1.070 1190 T CA -0.240 61.948 62.100 0.147 0.000 1.010 1190 T CB 1.588 70.543 68.868 0.145 0.000 1.264 1190 T HN 0.409 nan 8.240 nan 0.000 0.532 1191 T N -0.921 113.609 114.554 -0.040 0.000 2.788 1191 T HA -0.126 4.224 4.350 0.000 0.000 0.268 1191 T C 1.276 176.018 174.700 0.070 0.000 1.044 1191 T CA 1.633 63.744 62.100 0.019 0.000 1.139 1191 T CB -0.908 67.888 68.868 -0.120 0.000 0.867 1191 T HN 0.579 nan 8.240 nan 0.000 0.454 1192 Y N 2.036 122.408 120.300 0.120 0.000 2.256 1192 Y HA -0.081 4.469 4.550 0.000 0.000 0.288 1192 Y C 3.081 179.064 175.900 0.139 0.000 1.155 1192 Y CA 1.158 59.304 58.100 0.077 0.000 1.203 1192 Y CB -1.018 37.474 38.460 0.054 0.000 0.980 1192 Y HN 0.410 nan 8.280 nan 0.000 0.530 1193 S N -0.736 115.149 115.700 0.308 0.000 2.387 1193 S HA -0.143 4.328 4.470 0.000 0.000 0.226 1193 S C 1.621 176.459 174.600 0.397 0.000 1.026 1193 S CA 1.136 59.505 58.200 0.281 0.000 0.972 1193 S CB -0.408 62.880 63.200 0.146 0.000 0.814 1193 S HN 0.300 nan 8.310 nan 0.000 0.477 1194 D N 1.826 122.463 120.400 0.395 0.000 2.123 1194 D HA -0.069 4.572 4.640 0.000 0.000 0.196 1194 D C 2.096 178.721 176.300 0.541 0.000 0.992 1194 D CA 1.152 55.440 54.000 0.479 0.000 0.833 1194 D CB -0.625 40.492 40.800 0.529 0.000 0.954 1194 D HN 0.335 nan 8.370 nan 0.000 0.455 1195 V N 0.930 121.040 119.914 0.328 0.000 2.255 1195 V HA -0.226 3.894 4.120 0.000 0.000 0.247 1195 V C 2.235 178.532 176.094 0.338 0.000 1.051 1195 V CA 1.621 63.975 62.300 0.090 0.000 1.018 1195 V CB -0.694 31.024 31.823 -0.174 0.000 0.641 1195 V HN 0.419 nan 8.190 nan 0.000 0.445 1196 W N 1.236 122.676 121.300 0.233 0.000 2.305 1196 W HA -0.258 4.402 4.660 0.000 0.000 0.308 1196 W C 2.363 179.132 176.519 0.417 0.000 1.226 1196 W CA 2.328 59.869 57.345 0.327 0.000 1.253 1196 W CB -0.496 29.096 29.460 0.221 0.000 1.146 1196 W HN 0.358 nan 8.180 nan 0.000 0.507 1197 S N 0.567 116.644 115.700 0.629 0.000 2.387 1197 S HA -0.171 4.299 4.470 0.000 0.000 0.226 1197 S C 1.490 176.368 174.600 0.464 0.000 1.026 1197 S CA 1.245 59.788 58.200 0.572 0.000 0.972 1197 S CB -1.036 62.501 63.200 0.561 0.000 0.814 1197 S HN 0.317 nan 8.310 nan 0.000 0.477 1198 F N 3.003 123.138 119.950 0.310 0.000 2.065 1198 F HA -0.140 4.388 4.527 0.001 0.000 0.298 1198 F C 2.336 178.225 175.800 0.148 0.000 1.112 1198 F CA 1.466 59.617 58.000 0.251 0.000 1.212 1198 F CB -1.197 38.003 39.000 0.334 0.000 0.975 1198 F HN 0.219 nan 8.300 nan 0.000 0.476 1199 G N 0.257 109.101 108.800 0.074 0.000 2.574 1199 G HA2 -0.319 3.642 3.960 0.000 0.000 0.220 1199 G HA3 -0.319 3.642 3.960 0.000 0.000 0.220 1199 G C 1.750 176.695 174.900 0.074 0.000 1.173 1199 G CA 1.927 46.883 45.100 -0.240 0.000 0.772 1199 G HN 0.401 nan 8.290 nan 0.000 0.585 1200 V N 0.495 120.582 119.914 0.288 0.000 2.392 1200 V HA -0.196 3.924 4.120 0.000 0.000 0.249 1200 V C 3.030 179.279 176.094 0.257 0.000 1.059 1200 V CA 1.583 64.010 62.300 0.213 0.000 1.051 1200 V CB -0.644 31.161 31.823 -0.031 0.000 0.658 1200 V HN 0.270 nan 8.190 nan 0.000 0.455 1201 V N -0.190 119.850 119.914 0.210 0.000 2.287 1201 V HA -0.270 3.850 4.120 0.000 0.000 0.248 1201 V C 2.355 178.457 176.094 0.013 0.000 1.053 1201 V CA 2.012 64.401 62.300 0.148 0.000 1.027 1201 V CB -0.581 31.260 31.823 0.030 0.000 0.646 1201 V HN 0.453 nan 8.190 nan 0.000 0.447 1202 L N -1.673 119.438 121.223 -0.187 0.000 2.127 1202 L HA -0.233 4.107 4.340 0.000 0.000 0.211 1202 L C 2.286 179.169 176.870 0.020 0.000 1.089 1202 L CA 2.119 56.840 54.840 -0.199 0.000 0.757 1202 L CB -0.475 41.366 42.059 -0.363 0.000 0.899 1202 L HN 0.539 nan 8.230 nan 0.000 0.434 1203 W N 1.226 122.500 121.300 -0.043 0.000 2.379 1203 W HA -0.165 4.495 4.660 0.000 0.000 0.307 1203 W C 2.458 178.979 176.519 0.004 0.000 1.200 1203 W CA 1.461 58.824 57.345 0.030 0.000 1.297 1203 W CB 0.029 29.553 29.460 0.106 0.000 1.140 1203 W HN 0.059 nan 8.180 nan 0.000 0.507 1204 E N 0.277 120.708 120.200 0.384 0.000 2.049 1204 E HA -0.302 4.048 4.350 0.000 0.000 0.198 1204 E C 2.066 178.684 176.600 0.030 0.000 1.007 1204 E CA 2.281 58.833 56.400 0.254 0.000 0.809 1204 E CB -0.689 29.206 29.700 0.326 0.000 0.749 1204 E HN 0.369 nan 8.360 nan 0.000 0.450 1205 I N 1.212 121.793 120.570 0.019 0.000 2.118 1205 I HA -0.315 3.855 4.170 0.000 0.000 0.241 1205 I C 2.567 178.620 176.117 -0.106 0.000 1.070 1205 I CA 1.297 62.577 61.300 -0.034 0.000 1.327 1205 I CB -0.506 37.470 38.000 -0.039 0.000 1.034 1205 I HN 0.078 nan 8.210 nan 0.000 0.405 1206 A N 0.178 122.908 122.820 -0.150 0.000 2.178 1206 A HA -0.164 4.156 4.320 0.000 0.000 0.218 1206 A C 2.098 179.488 177.584 -0.323 0.000 1.157 1206 A CA 2.078 53.985 52.037 -0.215 0.000 0.689 1206 A CB -0.839 18.034 19.000 -0.210 0.000 0.787 1206 A HN 0.607 nan 8.150 nan 0.000 0.465 1207 T N -4.512 109.802 114.554 -0.399 0.000 3.040 1207 T HA 0.455 4.806 4.350 0.000 0.000 0.266 1207 T C 0.374 174.924 174.700 -0.249 0.000 1.005 1207 T CA 0.195 62.026 62.100 -0.448 0.000 0.906 1207 T CB -0.470 67.883 68.868 -0.859 0.000 1.082 1207 T HN 0.616 nan 8.240 nan 0.000 0.531 1208 L N 0.753 121.875 121.223 -0.169 0.000 3.550 1208 L HA -0.181 4.159 4.340 0.000 0.000 0.523 1208 L C 0.814 177.657 176.870 -0.044 0.000 1.312 1208 L CA 0.030 54.808 54.840 -0.104 0.000 0.864 1208 L CB -2.353 39.637 42.059 -0.116 0.000 1.592 1208 L HN 0.785 nan 8.230 nan 0.000 0.859 1209 A N -0.100 122.729 122.820 0.014 0.000 2.610 1209 A HA -0.228 4.092 4.320 0.000 0.000 0.299 1209 A C 0.634 178.301 177.584 0.138 0.000 1.487 1209 A CA 1.773 53.880 52.037 0.116 0.000 0.743 1209 A CB -0.950 18.113 19.000 0.104 0.000 1.070 1209 A HN 0.726 nan 8.150 nan 0.000 0.439 1210 E N -0.536 119.740 120.200 0.126 0.000 2.312 1210 E HA 0.384 4.735 4.350 0.000 0.000 0.259 1210 E C 0.508 177.311 176.600 0.338 0.000 1.122 1210 E CA -0.571 55.923 56.400 0.156 0.000 0.922 1210 E CB 0.430 30.144 29.700 0.024 0.000 1.109 1210 E HN 0.585 nan 8.360 nan 0.000 0.442 1211 Q N 2.519 122.472 119.800 0.256 0.000 2.296 1211 Q HA 0.178 4.518 4.340 0.000 0.000 0.263 1211 Q C -2.273 173.792 176.000 0.109 0.000 1.026 1211 Q CA -1.798 54.128 55.803 0.206 0.000 0.912 1211 Q CB 0.739 29.563 28.738 0.142 0.000 1.198 1211 Q HN 0.151 nan 8.270 nan 0.000 0.407 1212 P HA -0.049 nan 4.420 nan 0.000 0.267 1212 P C -1.405 175.644 177.300 -0.418 0.000 1.205 1212 P CA 0.325 62.943 63.100 -0.803 0.000 0.765 1212 P CB 0.153 31.233 31.700 -1.034 0.000 0.828 1213 Y N -0.099 119.940 120.300 -0.435 0.000 3.477 1213 Y HA -0.250 4.300 4.550 0.000 0.000 0.216 1213 Y C 0.474 176.266 175.900 -0.180 0.000 1.296 1213 Y CA 0.204 58.125 58.100 -0.299 0.000 1.535 1213 Y CB -2.998 35.283 38.460 -0.299 0.000 1.482 1213 Y HN 0.459 nan 8.280 nan 0.000 0.597 1214 Q N 0.375 120.171 119.800 -0.008 0.000 2.283 1214 Q HA 0.261 4.601 4.340 0.000 0.000 0.301 1214 Q C 1.471 177.463 176.000 -0.013 0.000 1.063 1214 Q CA 1.283 57.094 55.803 0.014 0.000 0.952 1214 Q CB 0.663 29.423 28.738 0.038 0.000 1.166 1214 Q HN 0.736 nan 8.270 nan 0.000 0.381 1215 G N 1.787 110.580 108.800 -0.012 0.000 2.397 1215 G HA2 -0.245 3.715 3.960 0.000 0.000 0.211 1215 G HA3 -0.245 3.715 3.960 0.000 0.000 0.211 1215 G C 0.031 174.904 174.900 -0.045 0.000 1.077 1215 G CA -0.449 44.633 45.100 -0.030 0.000 0.649 1215 G HN 0.456 nan 8.290 nan 0.000 0.511 1216 L N 2.524 123.710 121.223 -0.063 0.000 2.371 1216 L HA 0.578 4.918 4.340 0.000 0.000 0.272 1216 L C 1.319 178.159 176.870 -0.050 0.000 1.124 1216 L CA -0.044 54.747 54.840 -0.083 0.000 0.816 1216 L CB 1.447 43.415 42.059 -0.152 0.000 1.129 1216 L HN 0.552 nan 8.230 nan 0.000 0.448 1217 S N 0.908 116.580 115.700 -0.047 0.000 2.681 1217 S HA 0.237 4.707 4.470 0.000 0.000 0.270 1217 S C 0.847 175.422 174.600 -0.042 0.000 1.209 1217 S CA -0.855 57.328 58.200 -0.027 0.000 0.988 1217 S CB 1.004 64.192 63.200 -0.019 0.000 1.006 1217 S HN 0.579 nan 8.310 nan 0.000 0.558 1218 N N 1.328 120.015 118.700 -0.021 0.000 2.061 1218 N HA -0.187 4.553 4.740 0.000 0.000 0.193 1218 N C 1.655 177.134 175.510 -0.052 0.000 1.030 1218 N CA 1.830 54.863 53.050 -0.030 0.000 0.856 1218 N CB -0.820 37.672 38.487 0.008 0.000 1.023 1218 N HN 0.913 nan 8.380 nan 0.000 0.424 1219 E N 1.223 121.402 120.200 -0.034 0.000 2.049 1219 E HA -0.220 4.131 4.350 0.000 0.000 0.198 1219 E C 1.831 178.404 176.600 -0.045 0.000 1.007 1219 E CA 1.442 57.822 56.400 -0.034 0.000 0.809 1219 E CB -0.051 29.636 29.700 -0.021 0.000 0.749 1219 E HN 0.411 nan 8.360 nan 0.000 0.450 1220 Q N -0.199 119.572 119.800 -0.049 0.000 2.124 1220 Q HA -0.148 4.193 4.340 0.000 0.000 0.202 1220 Q C 2.398 178.361 176.000 -0.061 0.000 0.977 1220 Q CA 1.687 57.461 55.803 -0.048 0.000 0.850 1220 Q CB 0.024 28.724 28.738 -0.063 0.000 0.901 1220 Q HN 0.260 nan 8.270 nan 0.000 0.429 1221 V N 1.518 121.349 119.914 -0.139 0.000 2.295 1221 V HA -0.264 3.856 4.120 0.000 0.000 0.246 1221 V C 2.240 178.225 176.094 -0.182 0.000 1.049 1221 V CA 1.331 63.471 62.300 -0.267 0.000 1.024 1221 V CB -0.754 30.812 31.823 -0.428 0.000 0.648 1221 V HN 0.434 nan 8.190 nan 0.000 0.447 1222 L N 0.337 121.478 121.223 -0.137 0.000 1.976 1222 L HA -0.277 4.064 4.340 0.000 0.000 0.223 1222 L C 2.697 179.511 176.870 -0.093 0.000 1.081 1222 L CA 2.375 57.146 54.840 -0.115 0.000 0.784 1222 L CB -0.898 41.116 42.059 -0.075 0.000 0.896 1222 L HN 0.321 nan 8.230 nan 0.000 0.438 1223 R N -1.352 119.120 120.500 -0.046 0.000 2.096 1223 R HA -0.245 4.096 4.340 0.000 0.000 0.229 1223 R C 2.177 178.480 176.300 0.004 0.000 1.134 1223 R CA 1.885 57.975 56.100 -0.017 0.000 0.917 1223 R CB -0.894 29.412 30.300 0.010 0.000 0.832 1223 R HN 0.339 nan 8.270 nan 0.000 0.430 1224 F N 1.441 121.322 119.950 -0.115 0.000 2.048 1224 F HA -0.344 4.183 4.527 0.001 0.000 0.296 1224 F C 2.124 177.870 175.800 -0.089 0.000 1.109 1224 F CA 1.894 59.833 58.000 -0.100 0.000 1.214 1224 F CB -0.650 38.267 39.000 -0.138 0.000 0.963 1224 F HN -0.188 nan 8.300 nan 0.000 0.491 1225 V N 0.181 119.967 119.914 -0.213 0.000 2.427 1225 V HA -0.322 3.798 4.120 0.000 0.000 0.248 1225 V C 2.435 178.393 176.094 -0.226 0.000 1.051 1225 V CA 2.154 64.281 62.300 -0.289 0.000 1.048 1225 V CB -0.536 31.129 31.823 -0.263 0.000 0.666 1225 V HN 0.426 nan 8.190 nan 0.000 0.456 1226 M N -0.689 118.814 119.600 -0.162 0.000 2.460 1226 M HA -0.104 4.376 4.480 0.000 0.000 0.263 1226 M C 1.498 177.842 176.300 0.074 0.000 1.071 1226 M CA 1.360 56.621 55.300 -0.064 0.000 1.096 1226 M CB -0.102 32.456 32.600 -0.070 0.000 1.408 1226 M HN 0.359 nan 8.290 nan 0.000 0.463 1227 E N -0.761 119.419 120.200 -0.033 0.000 2.444 1227 E HA 0.200 4.550 4.350 0.000 0.000 0.191 1227 E C 0.955 177.505 176.600 -0.084 0.000 1.041 1227 E CA 0.270 56.633 56.400 -0.062 0.000 0.883 1227 E CB 0.366 30.013 29.700 -0.088 0.000 1.024 1227 E HN 0.575 nan 8.360 nan 0.000 0.470 1228 G N 1.249 110.071 108.800 0.037 0.000 2.141 1228 G HA2 -0.250 3.710 3.960 0.000 0.000 0.242 1228 G HA3 -0.250 3.710 3.960 0.000 0.000 0.242 1228 G C 0.598 175.390 174.900 -0.180 0.000 0.982 1228 G CA -0.333 44.806 45.100 0.065 0.000 0.662 1228 G HN 0.488 nan 8.290 nan 0.000 0.527 1229 G N -0.747 107.694 108.800 -0.598 0.000 2.664 1229 G HA2 0.566 4.526 3.960 0.000 0.000 0.242 1229 G HA3 0.566 4.526 3.960 0.000 0.000 0.242 1229 G C -0.134 174.437 174.900 -0.550 0.000 1.225 1229 G CA 0.199 44.501 45.100 -1.329 0.000 0.849 1229 G HN 1.033 nan 8.290 nan 0.000 0.581 1230 L N -0.583 120.556 121.223 -0.140 0.000 2.582 1230 L HA 0.319 4.659 4.340 0.000 0.000 0.257 1230 L C -0.311 176.634 176.870 0.125 0.000 0.974 1230 L CA -0.902 53.935 54.840 -0.005 0.000 0.851 1230 L CB 2.025 44.097 42.059 0.021 0.000 1.424 1230 L HN 0.351 nan 8.230 nan 0.000 0.412 1231 L N 1.584 122.638 121.223 -0.282 0.000 2.439 1231 L HA 0.211 4.551 4.340 0.000 0.000 0.269 1231 L C 0.028 177.008 176.870 0.184 0.000 1.179 1231 L CA -0.405 54.267 54.840 -0.280 0.000 0.828 1231 L CB 0.259 41.744 42.059 -0.957 0.000 1.106 1231 L HN 0.515 nan 8.230 nan 0.000 0.467 1232 D N 1.533 122.083 120.400 0.251 0.000 2.393 1232 D HA 0.043 4.683 4.640 0.000 0.000 0.246 1232 D C 0.006 176.492 176.300 0.309 0.000 1.275 1232 D CA -0.286 53.872 54.000 0.265 0.000 0.979 1232 D CB 0.540 41.419 40.800 0.132 0.000 1.101 1232 D HN 0.322 nan 8.370 nan 0.000 0.505 1233 K N 0.991 121.302 120.400 -0.150 0.000 2.285 1233 K HA 0.245 4.565 4.320 0.000 0.000 0.286 1233 K C -2.369 174.078 176.600 -0.255 0.000 1.072 1233 K CA -1.339 54.590 56.287 -0.596 0.000 0.913 1233 K CB 0.472 32.201 32.500 -1.284 0.000 1.067 1233 K HN 0.002 nan 8.250 nan 0.000 0.479 1234 P HA -0.074 nan 4.420 nan 0.000 0.271 1234 P C -1.097 176.073 177.300 -0.217 0.000 1.228 1234 P CA 0.023 62.959 63.100 -0.274 0.000 0.797 1234 P CB 0.396 31.852 31.700 -0.407 0.000 0.914 1235 D N 0.923 121.209 120.400 -0.190 0.000 2.390 1235 D HA 0.083 4.723 4.640 0.000 0.000 0.249 1235 D C 0.250 176.465 176.300 -0.143 0.000 1.144 1235 D CA 0.355 54.267 54.000 -0.146 0.000 0.880 1235 D CB -0.620 40.108 40.800 -0.120 0.000 1.182 1235 D HN 0.305 nan 8.370 nan 0.000 0.451 1236 N N -0.310 118.316 118.700 -0.123 0.000 2.747 1236 N HA -0.212 4.528 4.740 0.000 0.000 0.249 1236 N C -0.619 174.825 175.510 -0.109 0.000 1.107 1236 N CA 0.361 53.349 53.050 -0.105 0.000 0.707 1236 N CB -1.632 36.800 38.487 -0.092 0.000 1.054 1236 N HN 0.437 nan 8.380 nan 0.000 0.555 1237 C N 0.870 120.094 119.300 -0.127 0.000 2.514 1237 C HA 0.409 4.869 4.460 0.000 0.000 0.392 1237 C C -1.789 173.165 174.990 -0.061 0.000 1.294 1237 C CA -1.850 57.106 59.018 -0.105 0.000 1.957 1237 C CB -0.221 27.449 27.740 -0.117 0.000 2.541 1237 C HN 0.237 nan 8.230 nan 0.000 0.569 1238 P HA 0.096 nan 4.420 nan 0.000 0.263 1238 P C 0.366 177.678 177.300 0.019 0.000 1.195 1238 P CA 0.466 63.555 63.100 -0.019 0.000 0.762 1238 P CB 0.526 32.212 31.700 -0.025 0.000 0.799 1239 D N 2.354 122.767 120.400 0.022 0.000 2.191 1239 D HA -0.233 4.407 4.640 0.000 0.000 0.195 1239 D C 1.630 177.971 176.300 0.069 0.000 1.003 1239 D CA 1.497 55.535 54.000 0.063 0.000 0.867 1239 D CB -0.436 40.388 40.800 0.038 0.000 0.926 1239 D HN 0.440 nan 8.370 nan 0.000 0.450 1240 M N -0.221 119.394 119.600 0.026 0.000 2.084 1240 M HA -0.219 4.261 4.480 0.000 0.000 0.259 1240 M C 2.003 178.298 176.300 -0.007 0.000 1.072 1240 M CA 1.371 56.673 55.300 0.003 0.000 1.107 1240 M CB -0.173 32.421 32.600 -0.011 0.000 1.299 1240 M HN 0.026 nan 8.290 nan 0.000 0.413 1241 L N 0.220 121.441 121.223 -0.003 0.000 1.990 1241 L HA -0.228 4.113 4.340 0.000 0.000 0.213 1241 L C 2.289 179.145 176.870 -0.023 0.000 1.072 1241 L CA 2.045 56.870 54.840 -0.025 0.000 0.755 1241 L CB -1.290 40.754 42.059 -0.024 0.000 0.889 1241 L HN 0.475 nan 8.230 nan 0.000 0.432 1242 F N 0.570 120.459 119.950 -0.102 0.000 2.161 1242 F HA -0.229 4.298 4.527 0.001 0.000 0.300 1242 F C 2.388 178.108 175.800 -0.134 0.000 1.089 1242 F CA 1.820 59.760 58.000 -0.101 0.000 1.282 1242 F CB -0.318 38.658 39.000 -0.040 0.000 1.010 1242 F HN 0.271 nan 8.300 nan 0.000 0.485 1243 E N 0.160 120.274 120.200 -0.143 0.000 2.085 1243 E HA -0.258 4.093 4.350 0.000 0.000 0.194 1243 E C 2.422 178.843 176.600 -0.297 0.000 0.994 1243 E CA 1.436 57.704 56.400 -0.220 0.000 0.801 1243 E CB -0.487 29.163 29.700 -0.082 0.000 0.743 1243 E HN 0.455 nan 8.360 nan 0.000 0.453 1244 L N 0.349 121.424 121.223 -0.245 0.000 2.093 1244 L HA -0.190 4.151 4.340 0.000 0.000 0.208 1244 L C 2.368 178.971 176.870 -0.444 0.000 1.085 1244 L CA 0.805 55.500 54.840 -0.242 0.000 0.755 1244 L CB -0.062 41.916 42.059 -0.136 0.000 0.904 1244 L HN 0.269 nan 8.230 nan 0.000 0.435 1245 M N -1.059 118.153 119.600 -0.647 0.000 2.139 1245 M HA -0.221 4.259 4.480 0.000 0.000 0.260 1245 M C 2.266 177.729 176.300 -1.395 0.000 1.078 1245 M CA 1.594 56.156 55.300 -1.231 0.000 1.106 1245 M CB -0.510 31.328 32.600 -1.271 0.000 1.275 1245 M HN 0.096 nan 8.290 nan 0.000 0.425 1246 R N 0.209 120.081 120.500 -1.048 0.000 2.178 1246 R HA -0.205 4.135 4.340 0.000 0.000 0.257 1246 R C 1.878 177.968 176.300 -0.351 0.000 1.163 1246 R CA 1.805 57.575 56.100 -0.549 0.000 0.981 1246 R CB -1.184 28.824 30.300 -0.487 0.000 0.878 1246 R HN 0.560 nan 8.270 nan 0.000 0.454 1247 M N -0.809 118.567 119.600 -0.373 0.000 2.175 1247 M HA -0.142 4.338 4.480 0.000 0.000 0.264 1247 M C 2.250 178.434 176.300 -0.193 0.000 1.063 1247 M CA 1.334 56.505 55.300 -0.216 0.000 1.119 1247 M CB -0.172 32.320 32.600 -0.180 0.000 1.377 1247 M HN 0.108 nan 8.290 nan 0.000 0.415 1248 C N -1.020 118.067 119.300 -0.355 0.000 2.500 1248 C HA -0.070 4.391 4.460 0.000 0.000 0.273 1248 C C 1.471 176.409 174.990 -0.087 0.000 1.428 1248 C CA -0.015 58.850 59.018 -0.254 0.000 1.766 1248 C CB -1.089 26.442 27.740 -0.349 0.000 1.817 1248 C HN 0.657 nan 8.230 nan 0.000 0.543 1249 W N 0.469 121.647 121.300 -0.203 0.000 3.239 1249 W HA 0.279 4.940 4.660 0.000 0.000 0.368 1249 W C 0.409 177.010 176.519 0.137 0.000 1.154 1249 W CA -0.622 56.592 57.345 -0.218 0.000 1.860 1249 W CB -0.979 28.157 29.460 -0.540 0.000 1.094 1249 W HN 0.328 nan 8.180 nan 0.000 0.643 1250 Q N 0.614 120.571 119.800 0.262 0.000 2.263 1250 Q HA -0.150 4.191 4.340 0.000 0.000 0.289 1250 Q C 1.053 177.222 176.000 0.282 0.000 1.061 1250 Q CA 0.398 56.330 55.803 0.215 0.000 0.927 1250 Q CB 0.463 29.267 28.738 0.109 0.000 1.154 1250 Q HN 0.347 nan 8.270 nan 0.000 0.378 1251 Y N 3.172 123.567 120.300 0.158 0.000 2.114 1251 Y HA -0.277 4.273 4.550 0.000 0.000 0.282 1251 Y C 1.109 177.026 175.900 0.028 0.000 1.165 1251 Y CA 1.627 59.783 58.100 0.093 0.000 1.148 1251 Y CB 0.311 38.785 38.460 0.025 0.000 0.972 1251 Y HN 0.599 nan 8.280 nan 0.000 0.504 1252 N N 1.224 120.054 118.700 0.216 0.000 2.406 1252 N HA 0.006 4.746 4.740 0.000 0.000 0.265 1252 N C -2.135 173.354 175.510 -0.034 0.000 1.203 1252 N CA -1.292 51.808 53.050 0.083 0.000 0.945 1252 N CB 1.086 39.606 38.487 0.054 0.000 1.165 1252 N HN 0.103 nan 8.380 nan 0.000 0.485 1253 P HA -0.150 nan 4.420 nan 0.000 0.218 1253 P C 0.833 177.803 177.300 -0.551 0.000 1.146 1253 P CA 1.198 64.167 63.100 -0.218 0.000 0.820 1253 P CB 0.415 32.013 31.700 -0.170 0.000 0.778 1254 K N -1.791 118.356 120.400 -0.422 0.000 2.361 1254 K HA 0.192 4.512 4.320 0.000 0.000 0.196 1254 K C 1.792 178.247 176.600 -0.240 0.000 1.039 1254 K CA 0.647 56.660 56.287 -0.458 0.000 1.001 1254 K CB -0.275 32.072 32.500 -0.255 0.000 0.795 1254 K HN 0.297 nan 8.250 nan 0.000 0.495 1255 M N -0.051 119.464 119.600 -0.141 0.000 2.476 1255 M HA 0.008 4.489 4.480 0.000 0.000 0.262 1255 M C 0.455 176.729 176.300 -0.043 0.000 1.111 1255 M CA 0.359 55.622 55.300 -0.062 0.000 1.127 1255 M CB 0.295 32.885 32.600 -0.016 0.000 1.376 1255 M HN -0.165 nan 8.290 nan 0.000 0.465 1256 R N 1.454 121.925 120.500 -0.048 0.000 2.734 1256 R HA 0.097 4.437 4.340 0.000 0.000 0.266 1256 R C -2.142 174.154 176.300 -0.007 0.000 1.044 1256 R CA -0.863 55.232 56.100 -0.008 0.000 1.128 1256 R CB -0.086 30.240 30.300 0.044 0.000 1.010 1256 R HN 0.025 nan 8.270 nan 0.000 0.461 1257 P HA 0.067 nan 4.420 nan 0.000 0.274 1257 P C -0.995 176.269 177.300 -0.061 0.000 1.256 1257 P CA -0.423 62.656 63.100 -0.036 0.000 0.795 1257 P CB 1.050 32.712 31.700 -0.062 0.000 1.038 1258 S N -0.535 115.144 115.700 -0.034 0.000 2.687 1258 S HA 0.305 4.775 4.470 0.000 0.000 0.283 1258 S C 1.061 175.579 174.600 -0.136 0.000 1.170 1258 S CA -0.482 57.684 58.200 -0.057 0.000 1.008 1258 S CB 0.209 63.448 63.200 0.065 0.000 1.026 1258 S HN 0.214 nan 8.310 nan 0.000 0.541 1259 F N 0.423 120.378 119.950 0.008 0.000 2.126 1259 F HA -0.005 4.522 4.527 0.000 0.000 0.299 1259 F C 2.143 177.960 175.800 0.028 0.000 1.096 1259 F CA 1.106 59.070 58.000 -0.060 0.000 1.255 1259 F CB -0.799 38.159 39.000 -0.070 0.000 0.997 1259 F HN 0.483 nan 8.300 nan 0.000 0.479 1260 L N -0.474 120.926 121.223 0.295 0.000 2.012 1260 L HA -0.256 4.084 4.340 0.000 0.000 0.210 1260 L C 2.421 179.441 176.870 0.250 0.000 1.073 1260 L CA 1.656 56.700 54.840 0.340 0.000 0.748 1260 L CB -0.692 41.538 42.059 0.286 0.000 0.891 1260 L HN 0.152 nan 8.230 nan 0.000 0.431 1261 E N 0.287 120.571 120.200 0.141 0.000 2.058 1261 E HA -0.230 4.120 4.350 0.000 0.000 0.194 1261 E C 2.248 178.871 176.600 0.037 0.000 0.997 1261 E CA 1.246 57.696 56.400 0.082 0.000 0.801 1261 E CB -0.032 29.693 29.700 0.042 0.000 0.746 1261 E HN 0.409 nan 8.360 nan 0.000 0.450 1262 I N 0.690 121.260 120.570 0.000 0.000 2.127 1262 I HA -0.316 3.854 4.170 0.000 0.000 0.241 1262 I C 2.293 178.392 176.117 -0.030 0.000 1.075 1262 I CA 1.071 62.355 61.300 -0.027 0.000 1.334 1262 I CB -0.298 37.650 38.000 -0.087 0.000 1.040 1262 I HN 0.183 nan 8.210 nan 0.000 0.405 1263 I N -0.035 120.513 120.570 -0.037 0.000 2.118 1263 I HA -0.379 3.792 4.170 0.000 0.000 0.241 1263 I C 2.798 178.756 176.117 -0.264 0.000 1.070 1263 I CA 1.685 62.880 61.300 -0.176 0.000 1.327 1263 I CB -0.469 37.373 38.000 -0.265 0.000 1.034 1263 I HN 0.234 nan 8.210 nan 0.000 0.405 1264 S N 0.569 116.166 115.700 -0.172 0.000 2.383 1264 S HA -0.204 4.266 4.470 0.000 0.000 0.229 1264 S C 2.159 176.747 174.600 -0.022 0.000 1.030 1264 S CA 1.933 60.103 58.200 -0.050 0.000 1.002 1264 S CB -0.353 62.927 63.200 0.134 0.000 0.829 1264 S HN 0.633 nan 8.310 nan 0.000 0.467 1265 S N 1.075 116.764 115.700 -0.019 0.000 2.507 1265 S HA 0.003 4.473 4.470 0.000 0.000 0.235 1265 S C 1.511 176.096 174.600 -0.025 0.000 0.988 1265 S CA 0.941 59.133 58.200 -0.012 0.000 0.944 1265 S CB -0.748 62.444 63.200 -0.013 0.000 0.762 1265 S HN 0.835 nan 8.310 nan 0.000 0.526 1266 I N -2.037 118.501 120.570 -0.053 0.000 4.439 1266 I HA 0.312 4.483 4.170 0.000 0.000 0.331 1266 I C 1.741 177.811 176.117 -0.079 0.000 1.345 1266 I CA -0.426 60.836 61.300 -0.063 0.000 1.193 1266 I CB -0.019 37.936 38.000 -0.074 0.000 1.221 1266 I HN 0.088 nan 8.210 nan 0.000 0.429 1267 K N 1.732 122.084 120.400 -0.079 0.000 2.127 1267 K HA -0.216 4.104 4.320 0.000 0.000 0.208 1267 K C 1.300 177.943 176.600 0.073 0.000 1.047 1267 K CA 2.141 58.429 56.287 0.001 0.000 0.927 1267 K CB -0.486 32.045 32.500 0.052 0.000 0.716 1267 K HN 0.268 nan 8.250 nan 0.000 0.450 1268 E N 0.706 120.937 120.200 0.052 0.000 2.472 1268 E HA -0.090 4.260 4.350 0.000 0.000 0.200 1268 E C 0.442 177.056 176.600 0.022 0.000 1.046 1268 E CA 0.818 57.250 56.400 0.054 0.000 0.871 1268 E CB 0.265 29.991 29.700 0.044 0.000 0.806 1268 E HN 0.462 nan 8.360 nan 0.000 0.533 1269 E N -1.333 118.862 120.200 -0.008 0.000 2.601 1269 E HA 0.142 4.493 4.350 0.000 0.000 0.219 1269 E C 0.008 176.578 176.600 -0.051 0.000 0.964 1269 E CA -0.104 56.281 56.400 -0.025 0.000 1.050 1269 E CB 0.352 30.033 29.700 -0.031 0.000 1.068 1269 E HN 0.070 nan 8.360 nan 0.000 0.496 1270 M N 0.589 120.143 119.600 -0.076 0.000 1.878 1270 M HA 0.213 4.693 4.480 0.000 0.000 0.236 1270 M C 0.409 176.688 176.300 -0.035 0.000 1.315 1270 M CA 0.290 55.509 55.300 -0.136 0.000 0.986 1270 M CB -0.022 32.392 32.600 -0.310 0.000 1.324 1270 M HN -0.055 nan 8.290 nan 0.000 0.474 1271 E N 0.479 120.674 120.200 -0.008 0.000 2.249 1271 E HA 0.172 4.522 4.350 0.000 0.000 0.280 1271 E C -1.712 174.945 176.600 0.095 0.000 1.016 1271 E CA -1.643 54.784 56.400 0.045 0.000 0.830 1271 E CB 0.812 30.546 29.700 0.057 0.000 1.081 1271 E HN 0.325 nan 8.360 nan 0.000 0.395 1272 P HA -0.291 nan 4.420 nan 0.000 0.222 1272 P C 1.280 178.617 177.300 0.061 0.000 1.147 1272 P CA 1.853 64.982 63.100 0.048 0.000 0.958 1272 P CB -0.022 31.693 31.700 0.026 0.000 0.788 1273 G N -2.279 106.566 108.800 0.075 0.000 2.568 1273 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 1273 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 1273 G C 1.260 176.232 174.900 0.120 0.000 1.104 1273 G CA 0.229 45.371 45.100 0.069 0.000 0.738 1273 G HN 0.194 nan 8.290 nan 0.000 0.574 1274 F N 1.279 121.243 119.950 0.023 0.000 2.102 1274 F HA -0.043 4.484 4.527 0.000 0.000 0.298 1274 F C 2.621 178.436 175.800 0.026 0.000 1.105 1274 F CA 1.542 59.599 58.000 0.095 0.000 1.239 1274 F CB -0.307 38.776 39.000 0.139 0.000 0.991 1274 F HN 0.153 nan 8.300 nan 0.000 0.474 1275 R N 0.082 120.471 120.500 -0.187 0.000 2.185 1275 R HA -0.195 4.145 4.340 0.000 0.000 0.247 1275 R C 1.874 177.966 176.300 -0.347 0.000 1.159 1275 R CA 1.768 57.462 56.100 -0.677 0.000 0.988 1275 R CB -0.141 29.763 30.300 -0.660 0.000 0.871 1275 R HN 0.340 nan 8.270 nan 0.000 0.458 1276 E N -0.243 119.838 120.200 -0.199 0.000 2.081 1276 E HA -0.104 4.246 4.350 0.000 0.000 0.213 1276 E C 2.094 178.593 176.600 -0.167 0.000 0.921 1276 E CA 1.179 57.489 56.400 -0.150 0.000 0.936 1276 E CB -1.021 28.607 29.700 -0.121 0.000 0.981 1276 E HN 0.221 nan 8.360 nan 0.000 0.502 1277 V N 1.470 121.258 119.914 -0.211 0.000 2.428 1277 V HA -0.208 3.913 4.120 0.000 0.000 0.255 1277 V C 1.469 177.419 176.094 -0.240 0.000 1.080 1277 V CA 1.532 63.641 62.300 -0.320 0.000 1.083 1277 V CB -1.625 29.822 31.823 -0.628 0.000 0.665 1277 V HN 0.225 nan 8.190 nan 0.000 0.461 1278 S N 0.071 115.624 115.700 -0.246 0.000 2.560 1278 S HA 0.157 4.628 4.470 0.000 0.000 0.284 1278 S C 0.551 175.140 174.600 -0.018 0.000 1.327 1278 S CA 0.217 58.281 58.200 -0.228 0.000 1.055 1278 S CB 0.406 62.894 63.200 -1.186 0.000 0.868 1278 S HN 0.580 nan 8.310 nan 0.000 0.506 1279 F N 3.499 123.455 119.950 0.010 0.000 2.134 1279 F HA -0.073 4.454 4.527 0.000 0.000 0.299 1279 F C 1.881 177.740 175.800 0.099 0.000 1.097 1279 F CA 1.458 59.495 58.000 0.061 0.000 1.264 1279 F CB -0.734 38.346 39.000 0.133 0.000 1.001 1279 F HN 0.839 nan 8.300 nan 0.000 0.479 1280 Y N 0.280 120.566 120.300 -0.023 0.000 2.002 1280 Y HA -0.400 4.151 4.550 0.001 0.000 0.268 1280 Y C 2.009 177.702 175.900 -0.345 0.000 1.177 1280 Y CA 2.575 60.560 58.100 -0.192 0.000 1.111 1280 Y CB -1.073 37.359 38.460 -0.047 0.000 0.952 1280 Y HN 0.150 nan 8.280 nan 0.000 0.491 1281 Y N 0.094 120.351 120.300 -0.071 0.000 2.578 1281 Y HA 0.028 4.579 4.550 0.000 0.000 0.297 1281 Y C 1.761 177.540 175.900 -0.202 0.000 1.176 1281 Y CA 0.584 58.601 58.100 -0.137 0.000 1.315 1281 Y CB -0.513 37.922 38.460 -0.042 0.000 1.031 1281 Y HN 0.002 nan 8.280 nan 0.000 0.524 1282 S N 1.098 116.714 115.700 -0.139 0.000 2.580 1282 S HA -0.071 4.399 4.470 0.000 0.000 0.266 1282 S C 1.550 176.044 174.600 -0.176 0.000 1.354 1282 S CA -0.215 57.894 58.200 -0.152 0.000 1.008 1282 S CB 0.610 63.706 63.200 -0.174 0.000 0.898 1282 S HN 0.521 nan 8.310 nan 0.000 0.555 1283 E N 1.267 121.405 120.200 -0.104 0.000 2.502 1283 E HA -0.013 4.337 4.350 0.000 0.000 0.194 1283 E C 0.947 177.500 176.600 -0.078 0.000 1.062 1283 E CA 0.547 56.897 56.400 -0.083 0.000 0.867 1283 E CB -0.299 29.376 29.700 -0.042 0.000 0.888 1283 E HN 0.848 nan 8.360 nan 0.000 0.510 1284 E N 0.521 120.668 120.200 -0.088 0.000 2.403 1284 E HA 0.025 4.375 4.350 0.000 0.000 0.188 1284 E C 0.537 177.087 176.600 -0.084 0.000 1.056 1284 E CA 0.179 56.575 56.400 -0.008 0.000 0.892 1284 E CB 0.005 29.792 29.700 0.144 0.000 1.049 1284 E HN 0.236 nan 8.360 nan 0.000 0.465 1285 N N -0.797 117.764 118.700 -0.231 0.000 1.890 1285 N HA -0.035 4.705 4.740 0.000 0.000 0.250 1285 N C -0.094 175.260 175.510 -0.260 0.000 1.380 1285 N CA -0.154 52.727 53.050 -0.282 0.000 0.755 1285 N CB 0.025 38.117 38.487 -0.658 0.000 1.203 1285 N HN -0.146 nan 8.380 nan 0.000 0.539 1286 K N 0.000 120.252 120.400 -0.246 0.000 2.780 1286 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1286 K CA 0.000 56.169 56.287 -0.197 0.000 0.838 1286 K CB 0.000 32.421 32.500 -0.131 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543