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 2exx_1_A DATA FIRST_RESID -6 DATA SEQUENCE LYKKAGLMVD KKLVVVFGGT GAQGGSVART LLEDGTFKVR VVTRNPRKKA DATA SEQUENCE AKELRLQGAE VVQGDQDDQV IMELALNGAY ATFIVTNYWE SCSQEQEVKQ DATA SEQUENCE GKLLADLARR LGLHYVVYSG LENIKKLTAG RLAAAHFDGK GEVEEYFRDI DATA SEQUENCE GVPMTSVRLP CYFENLLSHF LPQKAPDGKS YLLSLPTGDV PMDGMSVSDL DATA SEQUENCE GPVVLSLLKM PEKYVGQNIG LSTCRHTAEE YAALLTKHTR KVVHDAKMTP DATA SEQUENCE EDYEKLGFPG ARDLANMFRF YALRPDRDIE LTLRLNPKAL TLDQWLEQHK DATA SEQUENCE GDFNL 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 -6 L HA 0.000 nan 4.340 nan 0.000 0.249 -6 L C 0.000 176.979 176.870 0.181 0.000 1.165 -6 L CA 0.000 54.911 54.840 0.119 0.000 0.813 -6 L CB 0.000 42.106 42.059 0.079 0.000 0.961 -5 Y N -0.722 119.616 120.300 0.064 0.000 2.445 -5 Y HA 0.293 4.843 4.550 0.000 0.000 0.247 -5 Y C 1.896 177.917 175.900 0.202 0.000 1.129 -5 Y CA 0.131 58.296 58.100 0.108 0.000 1.251 -5 Y CB 0.407 38.897 38.460 0.050 0.000 1.176 -5 Y HN 0.097 nan 8.280 nan 0.000 0.522 -4 K N 1.383 121.814 120.400 0.052 0.000 2.148 -4 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 -4 K C 1.656 178.229 176.600 -0.044 0.000 1.050 -4 K CA 1.415 57.679 56.287 -0.039 0.000 0.942 -4 K CB 0.076 32.605 32.500 0.049 0.000 0.724 -4 K HN 0.315 nan 8.250 nan 0.000 0.446 -3 K N 0.010 120.411 120.400 0.001 0.000 2.097 -3 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 -3 K C 2.084 178.668 176.600 -0.027 0.000 1.050 -3 K CA 0.989 57.272 56.287 -0.006 0.000 0.938 -3 K CB -0.076 32.436 32.500 0.019 0.000 0.718 -3 K HN 0.167 nan 8.250 nan 0.000 0.442 -2 A N 1.257 124.069 122.820 -0.014 0.000 1.883 -2 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 -2 A C 2.406 179.908 177.584 -0.138 0.000 1.186 -2 A CA 2.111 54.137 52.037 -0.018 0.000 0.624 -2 A CB -1.276 17.774 19.000 0.083 0.000 0.822 -2 A HN 0.437 nan 8.150 nan 0.000 0.444 -1 G N -0.653 107.962 108.800 -0.308 0.000 2.422 -1 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.218 -1 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.218 -1 G C 1.447 176.239 174.900 -0.180 0.000 1.140 -1 G CA 0.815 45.693 45.100 -0.371 0.000 0.775 -1 G HN 0.437 nan 8.290 nan 0.000 0.545 0 L N 0.173 121.324 121.223 -0.121 0.000 2.362 0 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 0 L C 2.401 179.222 176.870 -0.083 0.000 1.134 0 L CA 0.345 55.132 54.840 -0.089 0.000 0.807 0 L CB -0.129 41.897 42.059 -0.055 0.000 0.927 0 L HN 0.177 nan 8.230 nan 0.000 0.447 1 M N -1.064 118.490 119.600 -0.077 0.000 2.502 1 M HA 0.128 4.608 4.480 -0.000 0.000 0.243 1 M C 0.483 176.745 176.300 -0.064 0.000 1.130 1 M CA 0.245 55.511 55.300 -0.056 0.000 1.055 1 M CB -0.151 32.431 32.600 -0.031 0.000 1.457 1 M HN -0.140 nan 8.290 nan 0.000 0.488 2 V N 1.358 121.213 119.914 -0.099 0.000 2.732 2 V HA 0.013 4.133 4.120 -0.000 0.000 0.297 2 V C 1.065 177.082 176.094 -0.128 0.000 1.060 2 V CA 0.154 62.390 62.300 -0.107 0.000 1.038 2 V CB 1.434 33.158 31.823 -0.163 0.000 1.003 2 V HN 0.270 nan 8.190 nan 0.000 0.481 3 D N 2.331 122.671 120.400 -0.100 0.000 2.566 3 D HA 0.081 4.721 4.640 -0.000 0.000 0.253 3 D C 0.663 176.896 176.300 -0.111 0.000 0.992 3 D CA 0.334 54.277 54.000 -0.095 0.000 0.940 3 D CB 0.351 41.115 40.800 -0.061 0.000 1.095 3 D HN 0.307 nan 8.370 nan 0.000 0.480 4 K N 0.845 121.194 120.400 -0.084 0.000 2.449 4 K HA 0.346 4.666 4.320 -0.000 0.000 0.257 4 K C -1.413 175.155 176.600 -0.053 0.000 0.989 4 K CA -0.484 55.760 56.287 -0.071 0.000 0.916 4 K CB 1.016 33.494 32.500 -0.036 0.000 1.136 4 K HN -0.036 nan 8.250 nan 0.000 0.439 5 K N 3.518 123.871 120.400 -0.078 0.000 2.258 5 K HA 0.304 4.624 4.320 -0.000 0.000 0.284 5 K C -0.376 176.335 176.600 0.183 0.000 1.051 5 K CA -0.491 55.778 56.287 -0.030 0.000 0.923 5 K CB 1.168 33.460 32.500 -0.346 0.000 1.046 5 K HN 0.404 nan 8.250 nan 0.000 0.474 6 L N 4.120 125.459 121.223 0.193 0.000 2.295 6 L HA 0.393 4.733 4.340 -0.000 0.000 0.285 6 L C -1.102 175.881 176.870 0.189 0.000 1.035 6 L CA -0.942 54.002 54.840 0.172 0.000 0.806 6 L CB 1.179 43.308 42.059 0.117 0.000 1.214 6 L HN 0.360 nan 8.230 nan 0.000 0.426 7 V N 5.741 125.730 119.914 0.126 0.000 2.409 7 V HA 0.302 4.422 4.120 -0.000 0.000 0.291 7 V C 0.026 176.144 176.094 0.040 0.000 1.020 7 V CA -0.660 61.678 62.300 0.063 0.000 0.848 7 V CB 1.767 33.560 31.823 -0.050 0.000 0.990 7 V HN 0.500 nan 8.190 nan 0.000 0.430 8 V N 5.931 125.863 119.914 0.030 0.000 2.461 8 V HA 0.341 4.461 4.120 -0.000 0.000 0.275 8 V C 0.055 176.122 176.094 -0.045 0.000 1.047 8 V CA -0.353 61.913 62.300 -0.057 0.000 0.955 8 V CB 1.531 33.293 31.823 -0.102 0.000 0.988 8 V HN 0.613 nan 8.190 nan 0.000 0.471 9 V N 6.154 126.015 119.914 -0.090 0.000 2.384 9 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 9 V C -0.317 175.743 176.094 -0.056 0.000 1.020 9 V CA -0.457 61.873 62.300 0.051 0.000 0.850 9 V CB 1.132 33.007 31.823 0.088 0.000 0.987 9 V HN 0.619 nan 8.190 nan 0.000 0.436 10 F N 1.948 121.982 119.950 0.140 0.000 2.380 10 F HA 0.673 5.200 4.527 0.000 0.000 0.321 10 F C 1.473 177.355 175.800 0.137 0.000 1.103 10 F CA 0.665 58.718 58.000 0.089 0.000 1.067 10 F CB 1.419 40.431 39.000 0.021 0.000 1.265 10 F HN 0.698 nan 8.300 nan 0.000 0.517 11 G N 0.637 109.615 108.800 0.297 0.000 2.162 11 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 11 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 11 G C 1.301 176.306 174.900 0.175 0.000 0.976 11 G CA 0.444 45.681 45.100 0.228 0.000 0.655 11 G HN 1.225 nan 8.290 nan 0.000 0.533 12 G N -0.374 108.508 108.800 0.137 0.000 2.475 12 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.220 12 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.220 12 G C 1.562 176.502 174.900 0.067 0.000 1.125 12 G CA 2.201 47.351 45.100 0.084 0.000 0.755 12 G HN 0.709 nan 8.290 nan 0.000 0.565 13 T N 0.252 114.849 114.554 0.073 0.000 3.055 13 T HA 0.256 4.606 4.350 -0.000 0.000 0.265 13 T C 1.446 176.185 174.700 0.066 0.000 1.111 13 T CA 0.617 62.754 62.100 0.060 0.000 1.118 13 T CB 0.158 69.062 68.868 0.059 0.000 0.909 13 T HN 0.393 nan 8.240 nan 0.000 0.501 14 G N -0.216 108.636 108.800 0.087 0.000 2.568 14 G HA2 0.585 4.545 3.960 -0.000 0.000 0.293 14 G HA3 0.585 4.545 3.960 -0.000 0.000 0.293 14 G C 1.137 176.084 174.900 0.078 0.000 1.347 14 G CA -0.056 45.100 45.100 0.092 0.000 1.039 14 G HN 0.156 nan 8.290 nan 0.000 0.523 15 A N -1.046 121.824 122.820 0.083 0.000 1.841 15 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 15 A C 2.261 179.842 177.584 -0.006 0.000 1.195 15 A CA 1.980 54.034 52.037 0.029 0.000 0.611 15 A CB -0.754 18.266 19.000 0.033 0.000 0.835 15 A HN 0.660 nan 8.150 nan 0.000 0.443 16 Q N -0.883 118.952 119.800 0.059 0.000 1.990 16 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 16 Q C 2.282 178.321 176.000 0.065 0.000 0.980 16 Q CA 1.303 57.145 55.803 0.065 0.000 0.832 16 Q CB -0.513 28.374 28.738 0.249 0.000 0.897 16 Q HN 0.661 nan 8.270 nan 0.000 0.427 17 G N 0.520 109.449 108.800 0.214 0.000 2.422 17 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 17 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 17 G C 1.364 176.299 174.900 0.059 0.000 1.146 17 G CA 0.843 46.072 45.100 0.215 0.000 0.769 17 G HN 0.466 nan 8.290 nan 0.000 0.547 18 G N 0.512 109.339 108.800 0.044 0.000 2.459 18 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 18 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 18 G C 2.100 176.986 174.900 -0.025 0.000 1.183 18 G CA 1.666 46.775 45.100 0.015 0.000 0.776 18 G HN 0.507 nan 8.290 nan 0.000 0.552 19 S N -0.321 115.345 115.700 -0.056 0.000 2.370 19 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 19 S C 2.514 177.043 174.600 -0.118 0.000 1.033 19 S CA 1.789 59.937 58.200 -0.086 0.000 1.011 19 S CB -0.352 62.774 63.200 -0.122 0.000 0.852 19 S HN 0.136 nan 8.310 nan 0.000 0.457 20 V N 2.165 121.961 119.914 -0.196 0.000 2.261 20 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 20 V C 2.929 178.955 176.094 -0.113 0.000 1.047 20 V CA 1.833 63.984 62.300 -0.249 0.000 1.015 20 V CB -1.510 29.998 31.823 -0.526 0.000 0.642 20 V HN 0.634 nan 8.190 nan 0.000 0.446 21 A N -0.098 122.685 122.820 -0.061 0.000 1.883 21 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 21 A C 2.385 179.967 177.584 -0.003 0.000 1.186 21 A CA 2.073 54.103 52.037 -0.012 0.000 0.624 21 A CB -0.571 18.434 19.000 0.007 0.000 0.822 21 A HN 0.493 nan 8.150 nan 0.000 0.444 22 R N -1.211 119.283 120.500 -0.010 0.000 2.096 22 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 22 R C 2.238 178.539 176.300 0.002 0.000 1.127 22 R CA 1.763 57.862 56.100 -0.001 0.000 0.968 22 R CB -0.624 29.674 30.300 -0.002 0.000 0.861 22 R HN 0.546 nan 8.270 nan 0.000 0.440 23 T N 1.156 115.703 114.554 -0.011 0.000 2.821 23 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 23 T C 1.625 176.342 174.700 0.028 0.000 1.046 23 T CA 0.819 62.918 62.100 -0.001 0.000 1.139 23 T CB -0.031 68.824 68.868 -0.022 0.000 0.871 23 T HN -0.008 nan 8.240 nan 0.000 0.454 24 L N 0.654 121.900 121.223 0.038 0.000 2.072 24 L HA 0.135 4.475 4.340 -0.000 0.000 0.205 24 L C 2.266 179.184 176.870 0.081 0.000 1.079 24 L CA 1.290 56.187 54.840 0.095 0.000 0.752 24 L CB -0.841 41.281 42.059 0.105 0.000 0.906 24 L HN 0.253 nan 8.230 nan 0.000 0.436 25 L N -0.886 120.367 121.223 0.050 0.000 2.083 25 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 25 L C 2.535 179.422 176.870 0.028 0.000 1.083 25 L CA 1.375 56.238 54.840 0.038 0.000 0.752 25 L CB -0.360 41.714 42.059 0.026 0.000 0.899 25 L HN 0.399 nan 8.230 nan 0.000 0.433 26 E N 0.260 120.474 120.200 0.024 0.000 2.072 26 E HA -0.264 4.086 4.350 -0.000 0.000 0.190 26 E C 1.743 178.352 176.600 0.016 0.000 0.982 26 E CA 1.407 57.817 56.400 0.017 0.000 0.803 26 E CB 0.117 29.826 29.700 0.014 0.000 0.755 26 E HN 0.444 nan 8.360 nan 0.000 0.453 27 D N -1.278 119.138 120.400 0.027 0.000 2.117 27 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 27 D C 1.481 177.781 176.300 0.001 0.000 0.987 27 D CA 2.500 56.513 54.000 0.021 0.000 0.829 27 D CB -0.117 40.712 40.800 0.050 0.000 0.961 27 D HN 0.378 nan 8.370 nan 0.000 0.460 28 G N -1.279 107.529 108.800 0.013 0.000 2.363 28 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.238 28 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.238 28 G C 1.482 176.347 174.900 -0.057 0.000 1.062 28 G CA 1.345 46.438 45.100 -0.011 0.000 0.629 28 G HN 0.502 nan 8.290 nan 0.000 0.514 29 T N -1.078 113.396 114.554 -0.133 0.000 2.759 29 T HA 0.169 4.519 4.350 -0.000 0.000 0.269 29 T C 1.150 175.617 174.700 -0.388 0.000 1.042 29 T CA 1.361 63.277 62.100 -0.307 0.000 1.140 29 T CB -0.199 68.382 68.868 -0.479 0.000 0.864 29 T HN 0.423 nan 8.240 nan 0.000 0.455 30 F N 1.199 121.147 119.950 -0.004 0.000 2.425 30 F HA 0.525 5.052 4.527 0.000 0.000 0.331 30 F C 0.713 176.518 175.800 0.007 0.000 1.085 30 F CA -1.381 56.622 58.000 0.004 0.000 1.028 30 F CB 1.352 40.381 39.000 0.048 0.000 1.177 30 F HN -0.291 nan 8.300 nan 0.000 0.487 31 K N 1.476 122.010 120.400 0.223 0.000 2.143 31 K HA 0.576 4.896 4.320 -0.000 0.000 0.272 31 K C -1.093 175.583 176.600 0.128 0.000 1.001 31 K CA -0.707 55.655 56.287 0.125 0.000 0.915 31 K CB 2.054 34.604 32.500 0.084 0.000 1.047 31 K HN 0.444 nan 8.250 nan 0.000 0.458 32 V N 3.007 122.970 119.914 0.082 0.000 2.735 32 V HA 0.560 4.680 4.120 -0.000 0.000 0.310 32 V C -1.396 174.713 176.094 0.025 0.000 1.061 32 V CA -0.844 61.490 62.300 0.058 0.000 0.913 32 V CB 1.805 33.661 31.823 0.054 0.000 1.005 32 V HN 0.825 nan 8.190 nan 0.000 0.428 33 R N 4.567 125.068 120.500 0.002 0.000 2.476 33 R HA 0.749 5.089 4.340 -0.000 0.000 0.305 33 R C -2.007 174.250 176.300 -0.073 0.000 0.965 33 R CA -0.492 55.589 56.100 -0.031 0.000 0.867 33 R CB 2.073 32.350 30.300 -0.038 0.000 1.176 33 R HN 0.673 nan 8.270 nan 0.000 0.447 34 V N 5.260 125.136 119.914 -0.064 0.000 2.427 34 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 34 V C -0.133 175.893 176.094 -0.112 0.000 1.034 34 V CA -0.701 61.552 62.300 -0.078 0.000 0.893 34 V CB 1.745 33.553 31.823 -0.024 0.000 0.982 34 V HN 0.510 nan 8.190 nan 0.000 0.452 35 V N 4.693 124.490 119.914 -0.194 0.000 2.439 35 V HA 0.652 4.772 4.120 -0.000 0.000 0.282 35 V C 0.236 176.315 176.094 -0.025 0.000 1.039 35 V CA -0.014 62.186 62.300 -0.167 0.000 0.913 35 V CB 1.732 33.319 31.823 -0.392 0.000 0.983 35 V HN 1.032 nan 8.190 nan 0.000 0.460 36 T N 3.967 118.528 114.554 0.012 0.000 2.894 36 T HA 0.374 4.724 4.350 -0.000 0.000 0.309 36 T C 0.652 175.379 174.700 0.046 0.000 1.208 36 T CA -0.793 61.333 62.100 0.043 0.000 1.016 36 T CB 2.184 71.070 68.868 0.030 0.000 1.192 36 T HN 0.524 nan 8.240 nan 0.000 0.491 37 R N 0.780 121.312 120.500 0.053 0.000 2.240 37 R HA 0.168 4.508 4.340 -0.000 0.000 0.203 37 R C 0.388 176.708 176.300 0.033 0.000 1.011 37 R CA 0.404 56.531 56.100 0.045 0.000 1.007 37 R CB 0.208 30.536 30.300 0.047 0.000 0.911 37 R HN 0.298 nan 8.270 nan 0.000 0.468 38 N N -0.309 118.409 118.700 0.030 0.000 2.653 38 N HA 0.153 4.893 4.740 -0.000 0.000 0.261 38 N C -2.519 173.003 175.510 0.020 0.000 1.216 38 N CA -1.721 51.343 53.050 0.023 0.000 0.784 38 N CB 1.744 40.245 38.487 0.022 0.000 1.327 38 N HN -0.251 nan 8.380 nan 0.000 0.539 39 P HA 0.032 nan 4.420 nan 0.000 0.228 39 P C 0.638 177.945 177.300 0.012 0.000 1.151 39 P CA 0.889 63.997 63.100 0.013 0.000 0.770 39 P CB 0.312 32.018 31.700 0.010 0.000 0.786 40 R N -0.989 119.518 120.500 0.013 0.000 2.310 40 R HA 0.097 4.437 4.340 -0.000 0.000 0.202 40 R C 0.853 177.161 176.300 0.012 0.000 0.933 40 R CA 0.031 56.138 56.100 0.011 0.000 1.054 40 R CB -0.137 30.169 30.300 0.011 0.000 0.985 40 R HN 0.244 nan 8.270 nan 0.000 0.489 41 K N 1.794 122.203 120.400 0.015 0.000 2.397 41 K HA -0.078 4.242 4.320 -0.000 0.000 0.265 41 K C 1.152 177.761 176.600 0.015 0.000 0.982 41 K CA 0.228 56.525 56.287 0.016 0.000 0.931 41 K CB 0.667 33.180 32.500 0.021 0.000 0.943 41 K HN -0.111 nan 8.250 nan 0.000 0.501 42 K N 1.935 122.344 120.400 0.015 0.000 1.991 42 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 42 K C 1.777 178.386 176.600 0.015 0.000 1.049 42 K CA 1.801 58.096 56.287 0.013 0.000 0.932 42 K CB -0.211 32.296 32.500 0.013 0.000 0.717 42 K HN 0.685 nan 8.250 nan 0.000 0.441 43 A N 0.844 123.675 122.820 0.018 0.000 1.978 43 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 43 A C 2.271 179.866 177.584 0.020 0.000 1.170 43 A CA 1.965 54.015 52.037 0.021 0.000 0.636 43 A CB -0.734 18.282 19.000 0.027 0.000 0.810 43 A HN 0.546 nan 8.150 nan 0.000 0.448 44 A N -0.267 122.564 122.820 0.019 0.000 1.898 44 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 44 A C 2.115 179.706 177.584 0.013 0.000 1.181 44 A CA 1.868 53.915 52.037 0.017 0.000 0.620 44 A CB -0.439 18.571 19.000 0.016 0.000 0.819 44 A HN 0.546 nan 8.150 nan 0.000 0.442 45 K N -0.057 120.350 120.400 0.012 0.000 2.032 45 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 45 K C 1.916 178.522 176.600 0.010 0.000 1.048 45 K CA 1.832 58.125 56.287 0.010 0.000 0.927 45 K CB -0.207 32.299 32.500 0.009 0.000 0.712 45 K HN 0.629 nan 8.250 nan 0.000 0.441 46 E N 0.645 120.852 120.200 0.011 0.000 2.038 46 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 46 E C 2.125 178.732 176.600 0.011 0.000 1.000 46 E CA 1.598 58.004 56.400 0.011 0.000 0.803 46 E CB -0.167 29.540 29.700 0.012 0.000 0.750 46 E HN 0.285 nan 8.360 nan 0.000 0.448 47 L N 0.525 121.755 121.223 0.012 0.000 2.043 47 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 47 L C 2.783 179.659 176.870 0.010 0.000 1.075 47 L CA 1.288 56.135 54.840 0.012 0.000 0.752 47 L CB -0.444 41.622 42.059 0.013 0.000 0.891 47 L HN 0.115 nan 8.230 nan 0.000 0.432 48 R N 0.397 120.902 120.500 0.009 0.000 2.096 48 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 48 R C 2.309 178.614 176.300 0.008 0.000 1.127 48 R CA 1.170 57.275 56.100 0.008 0.000 0.968 48 R CB -0.126 30.178 30.300 0.007 0.000 0.861 48 R HN 0.354 nan 8.270 nan 0.000 0.440 49 L N 0.292 121.519 121.223 0.008 0.000 2.141 49 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 49 L C 1.915 178.790 176.870 0.007 0.000 1.094 49 L CA 1.266 56.110 54.840 0.007 0.000 0.763 49 L CB -0.182 41.881 42.059 0.007 0.000 0.908 49 L HN 0.280 nan 8.230 nan 0.000 0.437 50 Q N -0.343 119.462 119.800 0.009 0.000 2.444 50 Q HA 0.079 4.419 4.340 -0.000 0.000 0.206 50 Q C 1.153 177.160 176.000 0.011 0.000 0.948 50 Q CA 0.555 56.364 55.803 0.009 0.000 0.946 50 Q CB 0.426 29.171 28.738 0.010 0.000 1.027 50 Q HN 0.580 nan 8.270 nan 0.000 0.513 51 G N -0.105 108.701 108.800 0.010 0.000 2.148 51 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.203 51 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.203 51 G C -0.029 174.879 174.900 0.014 0.000 0.993 51 G CA -0.177 44.929 45.100 0.011 0.000 0.661 51 G HN 0.454 nan 8.290 nan 0.000 0.518 52 A N 0.005 122.833 122.820 0.013 0.000 2.312 52 A HA 0.754 5.074 4.320 -0.000 0.000 0.326 52 A C 0.290 177.879 177.584 0.008 0.000 1.172 52 A CA 0.116 52.161 52.037 0.013 0.000 0.821 52 A CB 0.892 19.899 19.000 0.012 0.000 1.166 52 A HN 0.622 nan 8.150 nan 0.000 0.493 53 E N 1.743 121.947 120.200 0.006 0.000 2.290 53 E HA 0.413 4.763 4.350 -0.000 0.000 0.277 53 E C -1.317 175.278 176.600 -0.007 0.000 1.035 53 E CA -0.232 56.169 56.400 0.002 0.000 0.873 53 E CB 0.671 30.373 29.700 0.003 0.000 1.029 53 E HN 0.330 nan 8.360 nan 0.000 0.419 54 V N 6.316 126.226 119.914 -0.006 0.000 2.378 54 V HA 0.261 4.381 4.120 -0.000 0.000 0.288 54 V C 0.077 176.164 176.094 -0.012 0.000 1.016 54 V CA -0.714 61.579 62.300 -0.011 0.000 0.840 54 V CB 1.086 32.907 31.823 -0.003 0.000 0.994 54 V HN 0.586 nan 8.190 nan 0.000 0.431 55 V N 2.517 122.417 119.914 -0.023 0.000 2.881 55 V HA 0.680 4.800 4.120 -0.000 0.000 0.316 55 V C -0.360 175.729 176.094 -0.009 0.000 1.070 55 V CA -0.849 61.441 62.300 -0.015 0.000 0.976 55 V CB 1.801 33.611 31.823 -0.022 0.000 1.038 55 V HN 0.893 nan 8.190 nan 0.000 0.446 56 Q N 1.349 121.151 119.800 0.004 0.000 2.274 56 Q HA 0.689 5.029 4.340 -0.000 0.000 0.256 56 Q C -0.211 175.804 176.000 0.025 0.000 0.927 56 Q CA 0.142 55.954 55.803 0.015 0.000 0.939 56 Q CB 1.228 29.977 28.738 0.017 0.000 1.201 56 Q HN 1.347 nan 8.270 nan 0.000 0.426 57 G N 2.416 111.241 108.800 0.042 0.000 2.698 57 G HA2 0.316 4.276 3.960 -0.000 0.000 0.293 57 G HA3 0.316 4.276 3.960 -0.000 0.000 0.293 57 G C -2.072 172.884 174.900 0.092 0.000 1.437 57 G CA -0.484 44.657 45.100 0.068 0.000 0.852 57 G HN 0.585 nan 8.290 nan 0.000 0.499 58 D N -0.121 120.334 120.400 0.092 0.000 2.757 58 D HA 0.243 4.883 4.640 -0.000 0.000 0.249 58 D C 0.920 177.269 176.300 0.081 0.000 1.168 58 D CA -0.447 53.602 54.000 0.081 0.000 0.870 58 D CB 2.594 43.422 40.800 0.047 0.000 1.411 58 D HN 0.364 nan 8.370 nan 0.000 0.525 59 Q N 1.254 121.098 119.800 0.073 0.000 2.443 59 Q HA -0.108 4.232 4.340 -0.000 0.000 0.213 59 Q C 0.232 176.224 176.000 -0.014 0.000 0.982 59 Q CA 1.044 56.856 55.803 0.014 0.000 0.894 59 Q CB 0.394 29.102 28.738 -0.050 0.000 0.947 59 Q HN 0.424 nan 8.270 nan 0.000 0.480 60 D N 0.075 120.473 120.400 -0.002 0.000 2.339 60 D HA -0.013 4.627 4.640 -0.000 0.000 0.217 60 D C -0.213 176.083 176.300 -0.007 0.000 1.050 60 D CA 0.436 54.426 54.000 -0.016 0.000 0.856 60 D CB 0.289 41.081 40.800 -0.014 0.000 0.922 60 D HN 0.062 nan 8.370 nan 0.000 0.518 61 D N 1.315 121.721 120.400 0.009 0.000 2.464 61 D HA 0.027 4.667 4.640 -0.000 0.000 0.243 61 D C 1.064 177.376 176.300 0.020 0.000 1.104 61 D CA -0.256 53.752 54.000 0.014 0.000 0.883 61 D CB 1.276 42.090 40.800 0.023 0.000 1.050 61 D HN -0.092 nan 8.370 nan 0.000 0.524 62 Q N 2.378 122.182 119.800 0.007 0.000 2.077 62 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 62 Q C 1.441 177.455 176.000 0.024 0.000 0.989 62 Q CA 1.726 57.536 55.803 0.011 0.000 0.853 62 Q CB 0.338 29.075 28.738 -0.002 0.000 0.907 62 Q HN 0.389 nan 8.270 nan 0.000 0.418 63 V N 1.195 121.121 119.914 0.019 0.000 2.252 63 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 63 V C 2.405 178.519 176.094 0.032 0.000 1.056 63 V CA 1.746 64.060 62.300 0.022 0.000 1.022 63 V CB -0.603 31.230 31.823 0.017 0.000 0.641 63 V HN 0.456 nan 8.190 nan 0.000 0.445 64 I N -1.102 119.489 120.570 0.035 0.000 2.226 64 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 64 I C 2.361 178.516 176.117 0.063 0.000 1.100 64 I CA 1.952 63.278 61.300 0.043 0.000 1.374 64 I CB -1.093 36.933 38.000 0.044 0.000 1.057 64 I HN 0.341 nan 8.210 nan 0.000 0.413 65 M N 0.635 120.283 119.600 0.080 0.000 2.086 65 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 65 M C 1.325 177.690 176.300 0.109 0.000 1.067 65 M CA 1.326 56.701 55.300 0.126 0.000 1.116 65 M CB -0.404 32.271 32.600 0.124 0.000 1.348 65 M HN 0.148 nan 8.290 nan 0.000 0.407 66 E N 0.623 120.867 120.200 0.074 0.000 1.858 66 E HA 0.112 4.462 4.350 -0.000 0.000 0.267 66 E C 0.215 176.846 176.600 0.053 0.000 1.215 66 E CA 0.129 56.566 56.400 0.063 0.000 0.952 66 E CB -0.221 29.506 29.700 0.045 0.000 1.058 66 E HN 0.623 nan 8.360 nan 0.000 0.407 67 L N 3.086 124.342 121.223 0.055 0.000 1.657 67 L HA -0.058 4.282 4.340 -0.000 0.000 0.275 67 L C 1.223 178.114 176.870 0.036 0.000 1.217 67 L CA 0.900 55.764 54.840 0.041 0.000 1.539 67 L CB -1.155 40.925 42.059 0.035 0.000 2.431 67 L HN 0.450 nan 8.230 nan 0.000 0.492 68 A N -0.120 122.725 122.820 0.042 0.000 2.021 68 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 68 A C 1.416 179.008 177.584 0.013 0.000 1.163 68 A CA 0.778 52.821 52.037 0.010 0.000 0.676 68 A CB 0.014 19.016 19.000 0.002 0.000 0.818 68 A HN 0.257 nan 8.150 nan 0.000 0.453 69 L N 0.658 121.920 121.223 0.066 0.000 2.685 69 L HA 0.172 4.512 4.340 -0.000 0.000 0.233 69 L C 0.178 177.093 176.870 0.075 0.000 1.173 69 L CA 0.260 55.153 54.840 0.088 0.000 0.961 69 L CB -1.316 40.828 42.059 0.141 0.000 1.217 69 L HN 0.364 nan 8.230 nan 0.000 0.478 70 N N 0.890 119.624 118.700 0.058 0.000 2.430 70 N HA 0.178 4.918 4.740 -0.000 0.000 0.265 70 N C 1.161 176.706 175.510 0.058 0.000 1.100 70 N CA 1.061 54.144 53.050 0.056 0.000 0.961 70 N CB 1.224 39.737 38.487 0.044 0.000 1.075 70 N HN 0.389 nan 8.380 nan 0.000 0.478 71 G N 1.866 110.708 108.800 0.069 0.000 2.143 71 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.249 71 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.249 71 G C 0.188 175.148 174.900 0.101 0.000 0.981 71 G CA 0.286 45.432 45.100 0.077 0.000 0.665 71 G HN 0.871 nan 8.290 nan 0.000 0.528 72 A N -0.872 122.014 122.820 0.109 0.000 2.340 72 A HA 0.699 5.019 4.320 -0.000 0.000 0.268 72 A C 0.674 178.376 177.584 0.198 0.000 1.100 72 A CA 0.647 52.767 52.037 0.138 0.000 0.803 72 A CB 0.671 19.737 19.000 0.110 0.000 1.043 72 A HN 1.183 nan 8.150 nan 0.000 0.488 73 Y N 1.839 122.194 120.300 0.091 0.000 2.230 73 Y HA 0.433 4.983 4.550 0.000 0.000 0.294 73 Y C 0.847 176.843 175.900 0.160 0.000 1.120 73 Y CA 1.120 59.289 58.100 0.115 0.000 1.129 73 Y CB -0.090 38.435 38.460 0.109 0.000 1.040 73 Y HN 0.867 nan 8.280 nan 0.000 0.519 74 A N -1.043 121.815 122.820 0.064 0.000 2.552 74 A HA 0.679 4.999 4.320 -0.000 0.000 0.288 74 A C -1.126 176.483 177.584 0.041 0.000 1.193 74 A CA -0.017 52.003 52.037 -0.028 0.000 0.713 74 A CB 1.206 20.164 19.000 -0.071 0.000 1.305 74 A HN 0.120 nan 8.150 nan 0.000 0.424 75 T N -0.717 113.854 114.554 0.027 0.000 2.942 75 T HA 0.524 4.874 4.350 -0.000 0.000 0.327 75 T C -2.108 172.664 174.700 0.120 0.000 1.360 75 T CA -0.258 61.906 62.100 0.106 0.000 1.055 75 T CB 0.880 69.863 68.868 0.192 0.000 1.261 75 T HN 1.293 nan 8.240 nan 0.000 0.485 76 F N 5.821 125.811 119.950 0.067 0.000 2.388 76 F HA 0.743 5.270 4.527 -0.000 0.000 0.358 76 F C -0.960 174.959 175.800 0.198 0.000 1.122 76 F CA -1.242 56.788 58.000 0.049 0.000 1.056 76 F CB 0.432 39.443 39.000 0.019 0.000 1.155 76 F HN 0.477 nan 8.300 nan 0.000 0.461 77 I N 7.229 127.467 120.570 -0.553 0.000 2.377 77 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 77 I C -1.049 174.666 176.117 -0.669 0.000 0.987 77 I CA -1.111 59.947 61.300 -0.404 0.000 1.185 77 I CB 1.815 39.732 38.000 -0.137 0.000 1.341 77 I HN 0.438 nan 8.210 nan 0.000 0.455 78 V N 5.614 125.275 119.914 -0.422 0.000 2.851 78 V HA 0.654 4.774 4.120 -0.000 0.000 0.307 78 V C -0.515 175.513 176.094 -0.109 0.000 1.129 78 V CA -0.047 62.073 62.300 -0.301 0.000 0.932 78 V CB 2.560 34.276 31.823 -0.178 0.000 1.024 78 V HN 0.899 nan 8.190 nan 0.000 0.426 79 T N 2.359 116.875 114.554 -0.064 0.000 2.916 79 T HA 0.517 4.867 4.350 -0.000 0.000 0.292 79 T C -0.533 174.185 174.700 0.029 0.000 1.055 79 T CA -0.689 61.404 62.100 -0.011 0.000 1.009 79 T CB 1.659 70.531 68.868 0.005 0.000 1.118 79 T HN 0.767 nan 8.240 nan 0.000 0.497 80 N N 0.891 119.621 118.700 0.051 0.000 2.706 80 N HA 0.156 4.896 4.740 -0.000 0.000 0.240 80 N C 0.344 175.882 175.510 0.048 0.000 1.039 80 N CA -0.647 52.461 53.050 0.096 0.000 0.888 80 N CB 0.520 39.081 38.487 0.124 0.000 1.128 80 N HN 0.748 nan 8.380 nan 0.000 0.512 81 Y N 3.611 123.838 120.300 -0.122 0.000 2.139 81 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 81 Y C 0.749 176.483 175.900 -0.277 0.000 1.179 81 Y CA 1.825 59.759 58.100 -0.277 0.000 1.161 81 Y CB -0.191 37.972 38.460 -0.494 0.000 0.970 81 Y HN 0.598 nan 8.280 nan 0.000 0.511 82 W N 0.689 121.890 121.300 -0.165 0.000 2.538 82 W HA -0.066 4.594 4.660 -0.000 0.000 0.254 82 W C 2.291 178.686 176.519 -0.208 0.000 1.249 82 W CA 0.982 58.185 57.345 -0.238 0.000 1.253 82 W CB -0.221 29.227 29.460 -0.021 0.000 1.130 82 W HN 0.267 nan 8.180 nan 0.000 0.618 83 E N 0.697 120.893 120.200 -0.006 0.000 2.060 83 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 83 E C 2.225 178.776 176.600 -0.082 0.000 0.974 83 E CA 2.124 58.519 56.400 -0.009 0.000 0.808 83 E CB -0.421 29.288 29.700 0.014 0.000 0.768 83 E HN 0.046 nan 8.360 nan 0.000 0.453 84 S N -1.088 114.517 115.700 -0.158 0.000 2.470 84 S HA 0.010 4.480 4.470 -0.000 0.000 0.222 84 S C 1.515 175.969 174.600 -0.244 0.000 1.024 84 S CA 0.293 58.399 58.200 -0.158 0.000 0.931 84 S CB -0.168 62.959 63.200 -0.121 0.000 0.791 84 S HN 0.491 nan 8.310 nan 0.000 0.513 85 C N 1.800 120.790 119.300 -0.516 0.000 4.358 85 C HA -0.138 4.322 4.460 -0.000 0.000 0.287 85 C C 0.476 175.251 174.990 -0.358 0.000 1.414 85 C CA 0.743 59.349 59.018 -0.686 0.000 1.949 85 C CB -2.722 24.849 27.740 -0.280 0.000 1.274 85 C HN 0.829 nan 8.230 nan 0.000 0.793 86 S N -0.624 114.944 115.700 -0.221 0.000 2.640 86 S HA 0.456 4.926 4.470 -0.000 0.000 0.320 86 S C 0.520 175.203 174.600 0.137 0.000 1.097 86 S CA 0.314 58.518 58.200 0.007 0.000 1.092 86 S CB 1.367 64.547 63.200 -0.033 0.000 0.988 86 S HN 0.634 nan 8.310 nan 0.000 0.470 87 Q N 2.963 122.887 119.800 0.206 0.000 2.096 87 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 87 Q C 0.882 176.892 176.000 0.017 0.000 0.982 87 Q CA 1.726 57.583 55.803 0.091 0.000 0.850 87 Q CB -0.048 28.677 28.738 -0.022 0.000 0.901 87 Q HN 0.745 nan 8.270 nan 0.000 0.422 88 E N 0.287 120.486 120.200 -0.002 0.000 2.268 88 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 88 E C 1.800 178.374 176.600 -0.044 0.000 0.995 88 E CA 0.922 57.301 56.400 -0.036 0.000 0.836 88 E CB -0.057 29.620 29.700 -0.039 0.000 0.763 88 E HN 0.388 nan 8.360 nan 0.000 0.491 89 Q N 1.152 120.936 119.800 -0.027 0.000 2.083 89 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 89 Q C 1.885 177.860 176.000 -0.042 0.000 0.969 89 Q CA 1.367 57.145 55.803 -0.040 0.000 0.838 89 Q CB -0.036 28.677 28.738 -0.041 0.000 0.900 89 Q HN 0.251 nan 8.270 nan 0.000 0.436 90 E N -0.865 119.328 120.200 -0.011 0.000 2.085 90 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 90 E C 1.874 178.448 176.600 -0.044 0.000 0.994 90 E CA 1.464 57.861 56.400 -0.006 0.000 0.801 90 E CB 0.065 29.790 29.700 0.041 0.000 0.743 90 E HN 0.229 nan 8.360 nan 0.000 0.453 91 V N 1.325 121.199 119.914 -0.067 0.000 2.295 91 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 91 V C 2.176 178.163 176.094 -0.178 0.000 1.049 91 V CA 1.715 63.941 62.300 -0.124 0.000 1.024 91 V CB -0.347 31.399 31.823 -0.129 0.000 0.648 91 V HN 0.201 nan 8.190 nan 0.000 0.447 92 K N -0.369 119.943 120.400 -0.147 0.000 2.103 92 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 92 K C 2.281 178.787 176.600 -0.157 0.000 1.048 92 K CA 1.648 57.840 56.287 -0.159 0.000 0.930 92 K CB -0.198 32.234 32.500 -0.113 0.000 0.716 92 K HN 0.556 nan 8.250 nan 0.000 0.444 93 Q N -0.415 119.310 119.800 -0.125 0.000 2.079 93 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 93 Q C 2.295 178.198 176.000 -0.161 0.000 0.974 93 Q CA 1.387 57.116 55.803 -0.123 0.000 0.840 93 Q CB -0.190 28.493 28.738 -0.093 0.000 0.898 93 Q HN 0.445 nan 8.270 nan 0.000 0.430 94 G N 1.462 110.165 108.800 -0.162 0.000 2.433 94 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 94 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 94 G C 1.291 175.989 174.900 -0.337 0.000 1.186 94 G CA 0.716 45.693 45.100 -0.206 0.000 0.779 94 G HN 0.179 nan 8.290 nan 0.000 0.543 95 K N -0.094 120.067 120.400 -0.398 0.000 2.057 95 K HA 0.035 4.355 4.320 -0.000 0.000 0.207 95 K C 2.390 178.801 176.600 -0.315 0.000 1.049 95 K CA 0.734 56.703 56.287 -0.529 0.000 0.931 95 K CB -0.351 31.700 32.500 -0.748 0.000 0.714 95 K HN 0.227 nan 8.250 nan 0.000 0.440 96 L N 1.703 122.784 121.223 -0.236 0.000 1.990 96 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 96 L C 1.951 178.745 176.870 -0.127 0.000 1.072 96 L CA 1.849 56.600 54.840 -0.149 0.000 0.755 96 L CB -0.745 41.243 42.059 -0.117 0.000 0.889 96 L HN 0.251 nan 8.230 nan 0.000 0.432 97 L N -0.152 120.981 121.223 -0.151 0.000 2.141 97 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 97 L C 2.841 179.657 176.870 -0.089 0.000 1.094 97 L CA 0.951 55.733 54.840 -0.098 0.000 0.763 97 L CB -0.795 41.180 42.059 -0.140 0.000 0.908 97 L HN 0.336 nan 8.230 nan 0.000 0.437 98 A N -0.011 122.606 122.820 -0.339 0.000 1.872 98 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 98 A C 1.945 179.399 177.584 -0.216 0.000 1.187 98 A CA 1.617 53.280 52.037 -0.622 0.000 0.614 98 A CB -0.420 17.773 19.000 -1.346 0.000 0.826 98 A HN 0.316 nan 8.150 nan 0.000 0.442 99 D N -0.082 120.250 120.400 -0.112 0.000 2.104 99 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 99 D C 1.796 178.081 176.300 -0.024 0.000 0.994 99 D CA 1.134 55.110 54.000 -0.039 0.000 0.830 99 D CB -0.353 40.435 40.800 -0.019 0.000 0.959 99 D HN 0.256 nan 8.370 nan 0.000 0.452 100 L N 1.064 122.278 121.223 -0.014 0.000 2.046 100 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 100 L C 2.459 179.356 176.870 0.046 0.000 1.077 100 L CA 1.292 56.145 54.840 0.022 0.000 0.747 100 L CB -1.076 41.007 42.059 0.038 0.000 0.896 100 L HN -0.050 nan 8.230 nan 0.000 0.432 101 A N -0.704 122.153 122.820 0.062 0.000 1.940 101 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 101 A C 2.527 180.155 177.584 0.073 0.000 1.176 101 A CA 2.048 54.146 52.037 0.102 0.000 0.631 101 A CB -0.552 18.561 19.000 0.189 0.000 0.814 101 A HN 0.432 nan 8.150 nan 0.000 0.446 102 R N -0.807 119.714 120.500 0.035 0.000 2.057 102 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 102 R C 2.443 178.758 176.300 0.024 0.000 1.136 102 R CA 1.312 57.423 56.100 0.018 0.000 0.952 102 R CB -0.341 29.943 30.300 -0.026 0.000 0.848 102 R HN 0.479 nan 8.270 nan 0.000 0.430 103 R N 0.492 121.003 120.500 0.019 0.000 2.083 103 R HA -0.072 4.268 4.340 -0.000 0.000 0.237 103 R C 1.953 178.275 176.300 0.038 0.000 1.137 103 R CA 1.622 57.736 56.100 0.023 0.000 0.951 103 R CB -0.268 30.043 30.300 0.018 0.000 0.851 103 R HN 0.303 nan 8.270 nan 0.000 0.434 104 L N 0.360 121.613 121.223 0.049 0.000 2.610 104 L HA 0.145 4.485 4.340 -0.000 0.000 0.232 104 L C 0.830 177.744 176.870 0.073 0.000 1.149 104 L CA 0.396 55.272 54.840 0.061 0.000 0.872 104 L CB -0.185 41.916 42.059 0.070 0.000 0.992 104 L HN 0.537 nan 8.230 nan 0.000 0.447 105 G N 1.309 110.151 108.800 0.071 0.000 2.371 105 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.299 105 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.299 105 G C -0.126 174.843 174.900 0.114 0.000 1.014 105 G CA -0.199 44.953 45.100 0.087 0.000 1.097 105 G HN 0.139 nan 8.290 nan 0.000 0.512 106 L N 0.124 121.412 121.223 0.108 0.000 2.416 106 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 106 L C 1.865 178.820 176.870 0.141 0.000 1.161 106 L CA 0.072 54.983 54.840 0.118 0.000 0.845 106 L CB 0.738 42.856 42.059 0.099 0.000 1.119 106 L HN 0.450 nan 8.230 nan 0.000 0.464 107 H N 3.042 122.120 119.070 0.014 0.000 2.395 107 H HA -0.079 4.477 4.556 0.000 0.000 0.299 107 H C -0.718 174.700 175.328 0.150 0.000 1.070 107 H CA 1.105 57.170 56.048 0.028 0.000 1.356 107 H CB 0.546 30.178 29.762 -0.216 0.000 1.401 107 H HN 0.530 nan 8.280 nan 0.000 0.524 108 Y N -0.355 119.861 120.300 -0.140 0.000 2.521 108 Y HA 0.382 4.932 4.550 -0.000 0.000 0.332 108 Y C -1.741 174.109 175.900 -0.083 0.000 1.121 108 Y CA -1.075 56.955 58.100 -0.117 0.000 1.037 108 Y CB 1.275 39.667 38.460 -0.115 0.000 1.330 108 Y HN -0.230 nan 8.280 nan 0.000 0.452 109 V N 5.704 125.311 119.914 -0.512 0.000 2.638 109 V HA 0.569 4.689 4.120 -0.000 0.000 0.306 109 V C -1.193 174.456 176.094 -0.742 0.000 1.052 109 V CA -0.932 61.069 62.300 -0.498 0.000 0.885 109 V CB 1.899 33.507 31.823 -0.358 0.000 0.999 109 V HN 0.574 nan 8.190 nan 0.000 0.424 110 V N 5.282 124.899 119.914 -0.495 0.000 2.334 110 V HA 0.389 4.509 4.120 -0.000 0.000 0.281 110 V C -0.930 175.052 176.094 -0.187 0.000 1.016 110 V CA -0.665 61.449 62.300 -0.311 0.000 0.832 110 V CB 1.210 32.989 31.823 -0.072 0.000 0.999 110 V HN 0.766 nan 8.190 nan 0.000 0.439 111 Y N 3.595 123.661 120.300 -0.390 0.000 2.360 111 Y HA 0.532 5.082 4.550 -0.000 0.000 0.337 111 Y C 0.597 176.338 175.900 -0.265 0.000 1.039 111 Y CA -0.670 57.174 58.100 -0.427 0.000 1.109 111 Y CB 2.075 40.207 38.460 -0.546 0.000 1.201 111 Y HN 0.519 nan 8.280 nan 0.000 0.458 112 S N 4.961 120.109 115.700 -0.921 0.000 2.642 112 S HA 0.553 5.023 4.470 -0.000 0.000 0.309 112 S C 0.105 174.134 174.600 -0.952 0.000 1.125 112 S CA -0.008 57.804 58.200 -0.647 0.000 1.055 112 S CB -1.167 61.822 63.200 -0.352 0.000 1.157 112 S HN 1.048 nan 8.310 nan 0.000 0.513 113 G N 3.133 111.519 108.800 -0.690 0.000 2.753 113 G HA2 0.730 4.690 3.960 -0.000 0.000 0.285 113 G HA3 0.730 4.690 3.960 -0.000 0.000 0.285 113 G C -1.400 173.348 174.900 -0.253 0.000 1.344 113 G CA -0.454 44.376 45.100 -0.450 0.000 1.050 113 G HN 0.541 nan 8.290 nan 0.000 0.532 114 L N -0.255 120.853 121.223 -0.192 0.000 2.415 114 L HA 0.391 4.731 4.340 -0.000 0.000 0.256 114 L C -0.084 176.771 176.870 -0.025 0.000 1.010 114 L CA -1.067 53.648 54.840 -0.210 0.000 0.826 114 L CB 1.916 43.565 42.059 -0.684 0.000 1.405 114 L HN 0.784 nan 8.230 nan 0.000 0.410 115 E N 0.374 120.643 120.200 0.115 0.000 2.392 115 E HA 0.017 4.367 4.350 -0.000 0.000 0.259 115 E C -0.306 176.298 176.600 0.007 0.000 1.108 115 E CA -0.366 56.089 56.400 0.091 0.000 0.916 115 E CB 0.650 30.449 29.700 0.165 0.000 0.989 115 E HN 0.569 nan 8.360 nan 0.000 0.432 116 N N 2.050 120.734 118.700 -0.027 0.000 2.605 116 N HA 0.055 4.795 4.740 -0.000 0.000 0.258 116 N C 0.921 176.333 175.510 -0.164 0.000 1.156 116 N CA -0.270 52.734 53.050 -0.078 0.000 1.008 116 N CB 0.038 38.501 38.487 -0.041 0.000 1.354 116 N HN 0.460 nan 8.380 nan 0.000 0.509 117 I N 2.616 122.992 120.570 -0.322 0.000 2.127 117 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 117 I C 2.514 178.467 176.117 -0.273 0.000 1.075 117 I CA 1.259 62.246 61.300 -0.522 0.000 1.334 117 I CB -0.176 37.320 38.000 -0.840 0.000 1.040 117 I HN 0.594 nan 8.210 nan 0.000 0.405 118 K N 1.202 121.478 120.400 -0.205 0.000 2.074 118 K HA -0.283 4.037 4.320 -0.000 0.000 0.209 118 K C 2.177 178.727 176.600 -0.082 0.000 1.048 118 K CA 1.858 58.069 56.287 -0.127 0.000 0.926 118 K CB -0.022 32.414 32.500 -0.107 0.000 0.713 118 K HN 0.135 nan 8.250 nan 0.000 0.444 119 K N 0.497 120.852 120.400 -0.075 0.000 1.991 119 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 119 K C 1.923 178.512 176.600 -0.019 0.000 1.045 119 K CA 1.374 57.638 56.287 -0.040 0.000 0.937 119 K CB -0.127 32.355 32.500 -0.031 0.000 0.720 119 K HN 0.189 nan 8.250 nan 0.000 0.438 120 L N -0.777 120.439 121.223 -0.012 0.000 2.551 120 L HA 0.117 4.457 4.340 -0.000 0.000 0.228 120 L C 1.583 178.485 176.870 0.054 0.000 1.153 120 L CA 1.375 56.235 54.840 0.033 0.000 0.851 120 L CB -0.617 41.486 42.059 0.072 0.000 0.959 120 L HN 0.024 nan 8.230 nan 0.000 0.451 121 T N -0.323 114.245 114.554 0.024 0.000 3.054 121 T HA 0.499 4.849 4.350 -0.000 0.000 0.255 121 T C 0.962 175.669 174.700 0.011 0.000 1.035 121 T CA 0.413 62.537 62.100 0.040 0.000 0.941 121 T CB -0.151 68.733 68.868 0.028 0.000 1.026 121 T HN 0.662 nan 8.240 nan 0.000 0.533 122 A N 0.268 123.087 122.820 -0.002 0.000 2.610 122 A HA 0.079 4.399 4.320 -0.000 0.000 0.299 122 A C 1.608 179.184 177.584 -0.014 0.000 1.487 122 A CA 1.072 53.105 52.037 -0.007 0.000 0.743 122 A CB -2.217 16.784 19.000 0.002 0.000 1.070 122 A HN 1.503 nan 8.150 nan 0.000 0.439 123 G N -1.112 107.672 108.800 -0.027 0.000 2.189 123 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.267 123 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.267 123 G C 0.908 175.793 174.900 -0.025 0.000 0.975 123 G CA 1.421 46.503 45.100 -0.030 0.000 0.644 123 G HN 1.407 nan 8.290 nan 0.000 0.537 124 R N -0.294 120.196 120.500 -0.016 0.000 2.152 124 R HA 0.226 4.566 4.340 -0.000 0.000 0.232 124 R C 0.812 177.102 176.300 -0.016 0.000 1.117 124 R CA 1.877 57.973 56.100 -0.007 0.000 0.981 124 R CB -0.179 30.126 30.300 0.008 0.000 0.870 124 R HN 0.803 nan 8.270 nan 0.000 0.451 125 L N -4.733 116.468 121.223 -0.038 0.000 2.671 125 L HA 0.782 5.122 4.340 -0.000 0.000 0.259 125 L C -1.517 175.284 176.870 -0.116 0.000 1.021 125 L CA -1.208 53.595 54.840 -0.062 0.000 0.871 125 L CB 1.926 43.955 42.059 -0.049 0.000 1.472 125 L HN -0.167 nan 8.230 nan 0.000 0.410 126 A N 0.344 123.086 122.820 -0.129 0.000 2.574 126 A HA 1.034 5.354 4.320 -0.000 0.000 0.297 126 A C -1.281 176.200 177.584 -0.173 0.000 1.062 126 A CA -0.030 51.909 52.037 -0.163 0.000 0.686 126 A CB 1.891 20.826 19.000 -0.109 0.000 1.285 126 A HN 1.867 nan 8.150 nan 0.000 0.403 127 A N 0.639 123.320 122.820 -0.231 0.000 2.414 127 A HA 0.708 5.028 4.320 -0.000 0.000 0.286 127 A C 0.739 178.199 177.584 -0.207 0.000 1.073 127 A CA 0.237 52.158 52.037 -0.193 0.000 0.727 127 A CB 0.816 19.578 19.000 -0.396 0.000 1.215 127 A HN 2.340 nan 8.150 nan 0.000 0.430 128 A N 1.843 124.559 122.820 -0.173 0.000 1.917 128 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 128 A C 1.721 178.833 177.584 -0.788 0.000 1.182 128 A CA 2.132 53.931 52.037 -0.398 0.000 0.633 128 A CB -0.939 17.847 19.000 -0.356 0.000 0.819 128 A HN 1.228 nan 8.150 nan 0.000 0.448 129 H N -3.300 115.134 119.070 -1.061 0.000 2.559 129 H HA 0.106 4.662 4.556 -0.000 0.000 0.273 129 H C 1.334 176.384 175.328 -0.463 0.000 1.000 129 H CA 0.924 56.349 56.048 -1.038 0.000 1.195 129 H CB -0.508 28.782 29.762 -0.787 0.000 1.368 129 H HN 0.502 nan 8.280 nan 0.000 0.592 130 F N 1.582 121.103 119.950 -0.716 0.000 2.399 130 F HA 0.079 4.606 4.527 0.000 0.000 0.282 130 F C 2.053 177.643 175.800 -0.350 0.000 1.027 130 F CA 0.264 57.949 58.000 -0.526 0.000 1.333 130 F CB 0.075 38.698 39.000 -0.628 0.000 1.132 130 F HN -0.022 nan 8.300 nan 0.000 0.590 131 D N 0.261 120.580 120.400 -0.135 0.000 2.133 131 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 131 D C 2.408 178.645 176.300 -0.105 0.000 0.997 131 D CA 1.670 55.594 54.000 -0.127 0.000 0.840 131 D CB -0.939 39.776 40.800 -0.141 0.000 0.947 131 D HN 0.388 nan 8.370 nan 0.000 0.452 132 G N 1.162 109.884 108.800 -0.130 0.000 2.459 132 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 132 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 132 G C 1.611 176.489 174.900 -0.035 0.000 1.183 132 G CA 0.878 45.927 45.100 -0.084 0.000 0.776 132 G HN 0.292 nan 8.290 nan 0.000 0.552 133 K N 0.350 120.731 120.400 -0.032 0.000 2.147 133 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 133 K C 2.704 179.368 176.600 0.105 0.000 1.049 133 K CA 0.813 57.148 56.287 0.081 0.000 0.936 133 K CB -0.353 32.127 32.500 -0.033 0.000 0.722 133 K HN 0.279 nan 8.250 nan 0.000 0.446 134 G N 1.712 110.523 108.800 0.019 0.000 2.418 134 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 134 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 134 G C 1.192 176.119 174.900 0.044 0.000 1.158 134 G CA 0.744 45.863 45.100 0.031 0.000 0.771 134 G HN 0.331 nan 8.290 nan 0.000 0.545 135 E N -0.143 120.067 120.200 0.016 0.000 2.107 135 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 135 E C 2.706 179.327 176.600 0.035 0.000 0.982 135 E CA 0.706 57.112 56.400 0.010 0.000 0.809 135 E CB -0.068 29.612 29.700 -0.034 0.000 0.756 135 E HN 0.285 nan 8.360 nan 0.000 0.459 136 V N 1.739 121.669 119.914 0.027 0.000 2.343 136 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 136 V C 2.052 178.218 176.094 0.121 0.000 1.051 136 V CA 1.854 64.153 62.300 -0.001 0.000 1.036 136 V CB -0.494 31.278 31.823 -0.085 0.000 0.654 136 V HN 0.245 nan 8.190 nan 0.000 0.451 137 E N -0.003 120.299 120.200 0.171 0.000 2.038 137 E HA -0.315 4.035 4.350 -0.000 0.000 0.195 137 E C 2.280 178.979 176.600 0.164 0.000 1.000 137 E CA 1.679 58.198 56.400 0.198 0.000 0.803 137 E CB -0.203 29.606 29.700 0.182 0.000 0.750 137 E HN 0.698 nan 8.360 nan 0.000 0.448 138 E N 0.006 120.278 120.200 0.120 0.000 2.160 138 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 138 E C 1.932 178.585 176.600 0.089 0.000 0.991 138 E CA 0.907 57.358 56.400 0.086 0.000 0.810 138 E CB -0.107 29.632 29.700 0.064 0.000 0.742 138 E HN 0.284 nan 8.360 nan 0.000 0.466 139 Y N -0.150 120.130 120.300 -0.033 0.000 2.163 139 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 139 Y C 1.722 177.553 175.900 -0.114 0.000 1.136 139 Y CA 1.668 59.704 58.100 -0.108 0.000 1.147 139 Y CB -0.440 37.900 38.460 -0.199 0.000 0.987 139 Y HN 0.039 nan 8.280 nan 0.000 0.509 140 F N 0.256 120.141 119.950 -0.109 0.000 2.120 140 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 140 F C 2.336 178.010 175.800 -0.209 0.000 1.095 140 F CA 1.936 59.823 58.000 -0.189 0.000 1.249 140 F CB -0.320 38.587 39.000 -0.155 0.000 0.995 140 F HN -0.046 nan 8.300 nan 0.000 0.480 141 R N 0.320 120.843 120.500 0.039 0.000 2.119 141 R HA -0.068 4.272 4.340 -0.000 0.000 0.222 141 R C 1.797 178.039 176.300 -0.098 0.000 1.088 141 R CA 1.137 57.225 56.100 -0.020 0.000 0.984 141 R CB -0.883 29.419 30.300 0.005 0.000 0.884 141 R HN 0.162 nan 8.270 nan 0.000 0.447 142 D N 0.242 120.547 120.400 -0.160 0.000 2.144 142 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 142 D C 1.491 177.637 176.300 -0.256 0.000 0.984 142 D CA 1.247 55.133 54.000 -0.190 0.000 0.834 142 D CB -0.006 40.680 40.800 -0.190 0.000 0.955 142 D HN 0.412 nan 8.370 nan 0.000 0.465 143 I N -3.463 116.870 120.570 -0.396 0.000 3.861 143 I HA 0.361 4.531 4.170 -0.000 0.000 0.329 143 I C 0.909 176.907 176.117 -0.198 0.000 1.321 143 I CA 0.128 61.224 61.300 -0.341 0.000 1.126 143 I CB -0.051 37.644 38.000 -0.508 0.000 1.018 143 I HN -0.071 nan 8.210 nan 0.000 0.407 144 G N 1.868 110.580 108.800 -0.146 0.000 2.272 144 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.280 144 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.280 144 G C -0.068 174.799 174.900 -0.055 0.000 1.067 144 G CA 0.232 45.279 45.100 -0.089 0.000 0.902 144 G HN 0.329 nan 8.290 nan 0.000 0.500 145 V N 0.819 120.725 119.914 -0.013 0.000 2.481 145 V HA 0.452 4.572 4.120 -0.000 0.000 0.286 145 V C -1.585 174.524 176.094 0.025 0.000 1.042 145 V CA -1.544 60.787 62.300 0.052 0.000 0.928 145 V CB 1.807 33.761 31.823 0.218 0.000 0.986 145 V HN 0.183 nan 8.190 nan 0.000 0.462 146 P HA 0.375 nan 4.420 nan 0.000 0.274 146 P C -0.716 176.593 177.300 0.016 0.000 1.291 146 P CA -0.164 62.924 63.100 -0.021 0.000 0.815 146 P CB 0.370 32.032 31.700 -0.063 0.000 0.897 147 M N 1.181 120.762 119.600 -0.031 0.000 2.569 147 M HA 0.690 5.170 4.480 -0.000 0.000 0.279 147 M C -1.410 174.842 176.300 -0.080 0.000 1.253 147 M CA -0.125 55.061 55.300 -0.190 0.000 0.867 147 M CB 1.791 34.133 32.600 -0.431 0.000 1.727 147 M HN -0.145 nan 8.290 nan 0.000 0.467 148 T N 1.487 115.947 114.554 -0.156 0.000 2.841 148 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 148 T C -1.161 173.499 174.700 -0.066 0.000 0.991 148 T CA -0.609 61.487 62.100 -0.008 0.000 0.966 148 T CB 1.444 70.400 68.868 0.146 0.000 0.962 148 T HN 0.747 nan 8.240 nan 0.000 0.438 149 S N 2.620 118.311 115.700 -0.015 0.000 2.480 149 S HA 0.588 5.058 4.470 -0.000 0.000 0.286 149 S C 0.023 174.609 174.600 -0.022 0.000 1.180 149 S CA -0.719 57.470 58.200 -0.019 0.000 1.075 149 S CB 0.130 63.351 63.200 0.035 0.000 0.996 149 S HN 0.629 nan 8.310 nan 0.000 0.487 150 V N 4.246 124.133 119.914 -0.045 0.000 2.370 150 V HA 0.657 4.777 4.120 -0.000 0.000 0.283 150 V C -0.347 175.718 176.094 -0.048 0.000 1.023 150 V CA -0.977 61.308 62.300 -0.025 0.000 0.857 150 V CB 0.902 32.728 31.823 0.004 0.000 0.985 150 V HN 0.834 nan 8.190 nan 0.000 0.443 151 R N 5.419 125.902 120.500 -0.027 0.000 2.215 151 R HA 0.558 4.898 4.340 -0.000 0.000 0.337 151 R C -0.752 175.546 176.300 -0.003 0.000 1.010 151 R CA -0.654 55.429 56.100 -0.028 0.000 0.871 151 R CB 1.201 31.509 30.300 0.013 0.000 1.134 151 R HN 0.609 nan 8.270 nan 0.000 0.477 152 L N 5.185 126.410 121.223 0.003 0.000 2.397 152 L HA 0.348 4.688 4.340 -0.000 0.000 0.271 152 L C -1.498 175.408 176.870 0.061 0.000 1.148 152 L CA -1.333 53.536 54.840 0.049 0.000 0.825 152 L CB 0.323 42.477 42.059 0.158 0.000 1.117 152 L HN 0.423 nan 8.230 nan 0.000 0.456 153 P HA 0.123 nan 4.420 nan 0.000 0.314 153 P C -0.653 176.685 177.300 0.063 0.000 1.306 153 P CA -0.787 62.322 63.100 0.014 0.000 0.782 153 P CB 0.992 32.644 31.700 -0.080 0.000 1.337 154 C N 1.098 120.427 119.300 0.048 0.000 2.601 154 C HA 0.093 4.553 4.460 -0.000 0.000 0.405 154 C C 0.596 175.661 174.990 0.127 0.000 1.441 154 C CA -0.337 58.752 59.018 0.118 0.000 1.555 154 C CB -2.604 25.245 27.740 0.181 0.000 2.450 154 C HN 0.275 nan 8.230 nan 0.000 0.614 155 Y N 5.509 125.798 120.300 -0.018 0.000 2.610 155 Y HA 0.056 4.606 4.550 0.000 0.000 0.332 155 Y C 1.394 177.240 175.900 -0.091 0.000 1.201 155 Y CA -0.476 57.530 58.100 -0.158 0.000 1.465 155 Y CB 0.391 38.798 38.460 -0.089 0.000 1.283 155 Y HN 0.726 nan 8.280 nan 0.000 0.563 156 F N 0.762 120.600 119.950 -0.186 0.000 2.171 156 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 156 F C 1.806 177.351 175.800 -0.425 0.000 1.090 156 F CA 0.531 58.223 58.000 -0.514 0.000 1.293 156 F CB -0.044 38.047 39.000 -1.514 0.000 1.013 156 F HN 0.590 nan 8.300 nan 0.000 0.486 157 E N 0.447 120.575 120.200 -0.120 0.000 2.219 157 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 157 E C 1.474 178.176 176.600 0.171 0.000 0.998 157 E CA 0.946 57.407 56.400 0.100 0.000 0.818 157 E CB -0.457 29.328 29.700 0.142 0.000 0.741 157 E HN 0.283 nan 8.360 nan 0.000 0.477 158 N N -0.111 118.722 118.700 0.221 0.000 2.520 158 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 158 N C 1.298 176.951 175.510 0.238 0.000 1.068 158 N CA 0.514 53.672 53.050 0.180 0.000 0.911 158 N CB -0.026 38.575 38.487 0.191 0.000 0.961 158 N HN 0.266 nan 8.380 nan 0.000 0.446 159 L N -0.003 121.434 121.223 0.355 0.000 2.291 159 L HA -0.004 4.336 4.340 -0.000 0.000 0.214 159 L C 1.590 178.629 176.870 0.282 0.000 1.120 159 L CA 0.609 55.731 54.840 0.470 0.000 0.799 159 L CB -0.112 42.365 42.059 0.696 0.000 0.925 159 L HN 0.125 nan 8.230 nan 0.000 0.446 160 L N -2.401 118.862 121.223 0.067 0.000 2.567 160 L HA 0.089 4.429 4.340 -0.000 0.000 0.225 160 L C 1.639 178.463 176.870 -0.076 0.000 1.119 160 L CA -0.016 54.754 54.840 -0.116 0.000 0.871 160 L CB 0.194 42.138 42.059 -0.191 0.000 1.036 160 L HN 0.083 nan 8.230 nan 0.000 0.459 161 S N -2.145 113.508 115.700 -0.078 0.000 3.252 161 S HA 0.163 4.633 4.470 -0.000 0.000 0.175 161 S C 1.629 176.047 174.600 -0.304 0.000 0.799 161 S CA -0.462 57.611 58.200 -0.212 0.000 0.985 161 S CB -0.120 62.901 63.200 -0.298 0.000 1.036 161 S HN 0.240 nan 8.310 nan 0.000 0.821 162 H N 0.741 119.536 119.070 -0.458 0.000 2.321 162 H HA -0.104 4.452 4.556 -0.000 0.000 0.295 162 H C 0.534 175.494 175.328 -0.614 0.000 1.102 162 H CA 1.645 57.242 56.048 -0.752 0.000 1.266 162 H CB -0.268 28.658 29.762 -1.394 0.000 1.363 162 H HN 0.317 nan 8.280 nan 0.000 0.492 163 F N 0.336 120.389 119.950 0.173 0.000 2.850 163 F HA 0.206 4.733 4.527 -0.000 0.000 0.306 163 F C 0.348 176.233 175.800 0.142 0.000 1.162 163 F CA -0.832 57.253 58.000 0.142 0.000 1.327 163 F CB -0.384 38.709 39.000 0.155 0.000 0.953 163 F HN -0.116 nan 8.300 nan 0.000 0.507 164 L N 3.778 125.115 121.223 0.190 0.000 2.578 164 L HA 0.192 4.532 4.340 -0.000 0.000 0.279 164 L C -2.370 174.625 176.870 0.208 0.000 1.227 164 L CA -1.400 53.554 54.840 0.190 0.000 0.900 164 L CB 0.048 42.157 42.059 0.083 0.000 1.144 164 L HN -0.089 nan 8.230 nan 0.000 0.496 165 P HA 0.113 nan 4.420 nan 0.000 0.271 165 P C -1.229 176.221 177.300 0.249 0.000 1.220 165 P CA -0.103 63.125 63.100 0.213 0.000 0.768 165 P CB 0.603 32.397 31.700 0.158 0.000 0.848 166 Q N 2.147 122.102 119.800 0.258 0.000 2.226 166 Q HA 0.297 4.637 4.340 -0.000 0.000 0.256 166 Q C -0.003 176.161 176.000 0.274 0.000 0.962 166 Q CA -0.762 55.191 55.803 0.250 0.000 0.887 166 Q CB 1.472 30.296 28.738 0.144 0.000 1.282 166 Q HN 0.363 nan 8.270 nan 0.000 0.449 167 K N 0.748 121.252 120.400 0.173 0.000 2.448 167 K HA 0.266 4.586 4.320 -0.000 0.000 0.278 167 K C -0.068 176.484 176.600 -0.080 0.000 1.009 167 K CA -0.043 56.158 56.287 -0.142 0.000 0.995 167 K CB 0.474 32.878 32.500 -0.160 0.000 0.917 167 K HN 0.610 nan 8.250 nan 0.000 0.481 168 A N 4.401 127.138 122.820 -0.138 0.000 2.287 168 A HA 0.263 4.583 4.320 -0.000 0.000 0.273 168 A C -1.608 175.949 177.584 -0.044 0.000 1.091 168 A CA -1.387 50.628 52.037 -0.036 0.000 0.817 168 A CB 0.042 19.050 19.000 0.013 0.000 1.069 168 A HN 0.519 nan 8.150 nan 0.000 0.492 169 P HA -0.183 nan 4.420 nan 0.000 0.216 169 P C 0.515 177.802 177.300 -0.023 0.000 1.150 169 P CA 1.781 64.873 63.100 -0.014 0.000 0.843 169 P CB 0.003 31.702 31.700 -0.003 0.000 0.787 170 D N -1.642 118.745 120.400 -0.022 0.000 2.348 170 D HA -0.003 4.637 4.640 -0.000 0.000 0.216 170 D C 1.420 177.693 176.300 -0.046 0.000 0.970 170 D CA 1.007 54.993 54.000 -0.023 0.000 0.889 170 D CB -1.287 39.509 40.800 -0.006 0.000 0.912 170 D HN 0.206 nan 8.370 nan 0.000 0.524 171 G N 0.422 109.173 108.800 -0.081 0.000 2.168 171 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.257 171 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.257 171 G C 0.800 175.617 174.900 -0.138 0.000 0.997 171 G CA 0.684 45.713 45.100 -0.117 0.000 0.708 171 G HN 0.516 nan 8.290 nan 0.000 0.520 172 K N -0.575 119.746 120.400 -0.132 0.000 2.477 172 K HA 0.355 4.675 4.320 -0.000 0.000 0.208 172 K C 0.727 177.252 176.600 -0.124 0.000 1.117 172 K CA 0.674 56.901 56.287 -0.099 0.000 1.039 172 K CB 0.981 33.460 32.500 -0.035 0.000 0.937 172 K HN 0.646 nan 8.250 nan 0.000 0.570 173 S N -0.804 114.764 115.700 -0.220 0.000 2.656 173 S HA 0.538 5.008 4.470 -0.000 0.000 0.273 173 S C -1.365 173.041 174.600 -0.324 0.000 1.168 173 S CA -0.939 57.160 58.200 -0.168 0.000 0.817 173 S CB 0.890 64.037 63.200 -0.088 0.000 1.146 173 S HN 0.069 nan 8.310 nan 0.000 0.475 174 Y N -0.537 119.749 120.300 -0.023 0.000 2.524 174 Y HA 0.738 5.288 4.550 0.000 0.000 0.344 174 Y C -0.834 175.098 175.900 0.052 0.000 1.012 174 Y CA -1.206 56.911 58.100 0.028 0.000 1.068 174 Y CB 1.321 39.800 38.460 0.031 0.000 1.249 174 Y HN 0.495 nan 8.280 nan 0.000 0.468 175 L N 2.930 124.295 121.223 0.237 0.000 2.296 175 L HA 0.430 4.770 4.340 -0.000 0.000 0.286 175 L C -0.984 175.991 176.870 0.174 0.000 1.023 175 L CA -0.516 54.438 54.840 0.190 0.000 0.812 175 L CB 1.430 43.579 42.059 0.150 0.000 1.223 175 L HN 0.466 nan 8.230 nan 0.000 0.421 176 L N 3.786 125.096 121.223 0.145 0.000 2.265 176 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 176 L C 0.029 176.939 176.870 0.066 0.000 1.033 176 L CA 0.063 54.976 54.840 0.122 0.000 0.814 176 L CB 1.241 43.365 42.059 0.108 0.000 1.203 176 L HN 0.678 nan 8.230 nan 0.000 0.423 177 S N 6.094 121.836 115.700 0.069 0.000 2.474 177 S HA 0.624 5.094 4.470 -0.000 0.000 0.320 177 S C -0.566 173.908 174.600 -0.209 0.000 1.067 177 S CA -0.617 57.581 58.200 -0.003 0.000 1.127 177 S CB 0.277 63.556 63.200 0.132 0.000 0.971 177 S HN 0.646 nan 8.310 nan 0.000 0.472 178 L N 4.096 125.079 121.223 -0.401 0.000 2.454 178 L HA 0.397 4.737 4.340 -0.000 0.000 0.258 178 L C -2.586 173.793 176.870 -0.819 0.000 1.025 178 L CA -2.271 52.106 54.840 -0.772 0.000 0.901 178 L CB 2.202 43.893 42.059 -0.613 0.000 1.210 178 L HN 0.435 nan 8.230 nan 0.000 0.457 179 P HA -0.038 nan 4.420 nan 0.000 0.219 179 P C 0.710 177.664 177.300 -0.577 0.000 1.501 179 P CA 0.602 63.212 63.100 -0.816 0.000 1.124 179 P CB 0.188 31.323 31.700 -0.941 0.000 1.848 180 T N -0.558 113.787 114.554 -0.349 0.000 3.023 180 T HA 0.329 4.679 4.350 -0.000 0.000 0.249 180 T C 1.114 175.783 174.700 -0.052 0.000 1.050 180 T CA 0.967 62.997 62.100 -0.117 0.000 1.088 180 T CB -0.313 68.498 68.868 -0.094 0.000 0.946 180 T HN 0.423 nan 8.240 nan 0.000 0.480 181 G N 1.472 110.227 108.800 -0.074 0.000 2.528 181 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.262 181 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.262 181 G C -0.206 174.686 174.900 -0.014 0.000 1.200 181 G CA 0.259 45.338 45.100 -0.035 0.000 0.951 181 G HN 0.414 nan 8.290 nan 0.000 0.566 182 D N 0.305 120.705 120.400 -0.000 0.000 2.342 182 D HA 0.299 4.939 4.640 -0.000 0.000 0.221 182 D C 0.657 176.968 176.300 0.018 0.000 1.101 182 D CA 0.343 54.350 54.000 0.011 0.000 0.837 182 D CB 0.695 41.501 40.800 0.010 0.000 0.938 182 D HN 0.336 nan 8.370 nan 0.000 0.508 183 V N 2.661 122.585 119.914 0.017 0.000 2.383 183 V HA 0.226 4.346 4.120 -0.000 0.000 0.275 183 V C -2.105 174.007 176.094 0.030 0.000 1.036 183 V CA -1.783 60.528 62.300 0.018 0.000 0.889 183 V CB 1.473 33.304 31.823 0.015 0.000 0.985 183 V HN -0.132 nan 8.190 nan 0.000 0.459 184 P HA 0.114 nan 4.420 nan 0.000 0.266 184 P C -0.455 176.858 177.300 0.021 0.000 1.195 184 P CA 0.064 63.193 63.100 0.048 0.000 0.768 184 P CB 0.441 32.153 31.700 0.020 0.000 0.838 185 M N 2.646 122.277 119.600 0.051 0.000 2.364 185 M HA 0.257 4.737 4.480 -0.000 0.000 0.334 185 M C -0.548 175.741 176.300 -0.019 0.000 1.107 185 M CA -0.618 54.660 55.300 -0.035 0.000 0.988 185 M CB 1.187 33.778 32.600 -0.015 0.000 1.673 185 M HN 0.280 nan 8.290 nan 0.000 0.441 186 D N 2.245 122.550 120.400 -0.158 0.000 2.360 186 D HA 0.562 5.202 4.640 -0.000 0.000 0.242 186 D C -0.059 176.228 176.300 -0.021 0.000 1.184 186 D CA 0.493 54.437 54.000 -0.093 0.000 0.930 186 D CB 1.518 42.229 40.800 -0.149 0.000 1.161 186 D HN 0.844 nan 8.370 nan 0.000 0.447 187 G N -0.527 108.287 108.800 0.023 0.000 2.576 187 G HA2 0.552 4.512 3.960 -0.000 0.000 0.290 187 G HA3 0.552 4.512 3.960 -0.000 0.000 0.290 187 G C -1.282 173.364 174.900 -0.423 0.000 1.442 187 G CA -0.665 44.413 45.100 -0.036 0.000 0.792 187 G HN 0.535 nan 8.290 nan 0.000 0.491 188 M N -0.790 118.142 119.600 -1.114 0.000 2.853 188 M HA 0.690 5.170 4.480 -0.000 0.000 0.273 188 M C -1.446 174.030 176.300 -1.373 0.000 1.128 188 M CA -0.815 53.760 55.300 -1.209 0.000 0.814 188 M CB 1.651 33.981 32.600 -0.451 0.000 1.667 188 M HN 0.896 nan 8.290 nan 0.000 0.519 189 S N 1.109 116.269 115.700 -0.901 0.000 2.465 189 S HA 0.293 4.763 4.470 -0.000 0.000 0.279 189 S C 0.686 175.037 174.600 -0.414 0.000 1.201 189 S CA -0.304 57.561 58.200 -0.559 0.000 1.053 189 S CB 1.234 64.354 63.200 -0.132 0.000 0.953 189 S HN 0.788 nan 8.310 nan 0.000 0.488 190 V N 5.527 125.110 119.914 -0.553 0.000 2.546 190 V HA -0.112 4.008 4.120 -0.000 0.000 0.254 190 V C 2.125 178.017 176.094 -0.336 0.000 1.076 190 V CA 2.610 64.521 62.300 -0.647 0.000 1.087 190 V CB -0.732 30.323 31.823 -1.280 0.000 0.674 190 V HN 0.978 nan 8.190 nan 0.000 0.470 191 S N -0.065 115.516 115.700 -0.199 0.000 2.442 191 S HA -0.143 4.327 4.470 -0.000 0.000 0.236 191 S C 1.324 175.885 174.600 -0.065 0.000 1.007 191 S CA 1.360 59.513 58.200 -0.078 0.000 0.965 191 S CB -0.339 62.885 63.200 0.040 0.000 0.773 191 S HN 0.721 nan 8.310 nan 0.000 0.504 192 D N 0.725 121.074 120.400 -0.086 0.000 2.328 192 D HA 0.119 4.759 4.640 -0.000 0.000 0.226 192 D C 1.381 177.621 176.300 -0.101 0.000 1.066 192 D CA -0.026 53.937 54.000 -0.062 0.000 0.861 192 D CB 0.093 40.873 40.800 -0.033 0.000 0.912 192 D HN 0.247 nan 8.370 nan 0.000 0.521 193 L N 0.834 121.969 121.223 -0.147 0.000 2.072 193 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 193 L C 2.149 178.912 176.870 -0.178 0.000 1.079 193 L CA 1.592 56.331 54.840 -0.169 0.000 0.752 193 L CB -0.892 41.042 42.059 -0.207 0.000 0.906 193 L HN 0.054 nan 8.230 nan 0.000 0.436 194 G N 0.199 108.898 108.800 -0.168 0.000 2.599 194 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 194 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 194 G C -0.553 174.286 174.900 -0.102 0.000 1.193 194 G CA 1.185 46.193 45.100 -0.153 0.000 0.778 194 G HN 0.380 nan 8.290 nan 0.000 0.589 195 P HA -0.080 nan 4.420 nan 0.000 0.216 195 P C 2.252 179.529 177.300 -0.038 0.000 1.150 195 P CA 1.403 64.486 63.100 -0.030 0.000 0.837 195 P CB -0.220 31.471 31.700 -0.014 0.000 0.786 196 V N -0.822 119.052 119.914 -0.066 0.000 2.343 196 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 196 V C 1.972 178.015 176.094 -0.086 0.000 1.051 196 V CA 1.975 64.228 62.300 -0.079 0.000 1.036 196 V CB -1.155 30.614 31.823 -0.091 0.000 0.654 196 V HN -0.075 nan 8.190 nan 0.000 0.451 197 V N 0.080 119.929 119.914 -0.108 0.000 2.427 197 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 197 V C 2.535 178.618 176.094 -0.019 0.000 1.051 197 V CA 2.087 64.328 62.300 -0.098 0.000 1.048 197 V CB -0.700 30.976 31.823 -0.245 0.000 0.666 197 V HN 0.605 nan 8.190 nan 0.000 0.456 198 L N 0.254 121.476 121.223 -0.002 0.000 2.012 198 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 198 L C 2.561 179.510 176.870 0.132 0.000 1.073 198 L CA 2.208 57.104 54.840 0.093 0.000 0.748 198 L CB -0.862 41.251 42.059 0.090 0.000 0.891 198 L HN 0.278 nan 8.230 nan 0.000 0.431 199 S N -0.379 115.363 115.700 0.070 0.000 2.359 199 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 199 S C 1.855 176.519 174.600 0.107 0.000 1.039 199 S CA 1.635 59.881 58.200 0.078 0.000 1.042 199 S CB -0.534 62.673 63.200 0.013 0.000 0.915 199 S HN 0.323 nan 8.310 nan 0.000 0.439 200 L N 1.223 122.465 121.223 0.032 0.000 2.043 200 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 200 L C 2.144 179.176 176.870 0.269 0.000 1.075 200 L CA 1.398 56.303 54.840 0.108 0.000 0.752 200 L CB -1.321 40.806 42.059 0.113 0.000 0.891 200 L HN 0.273 nan 8.230 nan 0.000 0.432 201 L N -0.021 121.364 121.223 0.270 0.000 2.083 201 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 201 L C 2.214 179.324 176.870 0.400 0.000 1.083 201 L CA 1.632 56.642 54.840 0.282 0.000 0.752 201 L CB -1.106 40.964 42.059 0.017 0.000 0.899 201 L HN 0.470 nan 8.230 nan 0.000 0.433 202 K N -1.581 119.055 120.400 0.394 0.000 2.505 202 K HA 0.075 4.395 4.320 -0.000 0.000 0.192 202 K C 0.542 177.269 176.600 0.211 0.000 1.025 202 K CA 0.364 56.853 56.287 0.336 0.000 1.086 202 K CB 0.169 32.806 32.500 0.228 0.000 0.840 202 K HN 0.213 nan 8.250 nan 0.000 0.514 203 M N 0.496 120.210 119.600 0.191 0.000 4.816 203 M HA 0.146 4.626 4.480 -0.000 0.000 0.560 203 M C -2.433 173.912 176.300 0.075 0.000 2.256 203 M CA -1.162 54.220 55.300 0.137 0.000 0.410 203 M CB 1.762 34.464 32.600 0.169 0.000 1.476 203 M HN -0.172 nan 8.290 nan 0.000 0.613 204 P HA -0.199 nan 4.420 nan 0.000 0.215 204 P C 0.693 177.903 177.300 -0.151 0.000 1.157 204 P CA 1.744 64.512 63.100 -0.554 0.000 0.874 204 P CB 0.157 31.388 31.700 -0.783 0.000 0.790 205 E N -0.206 120.017 120.200 0.039 0.000 2.219 205 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 205 E C 1.812 178.393 176.600 -0.031 0.000 0.998 205 E CA 1.176 57.638 56.400 0.103 0.000 0.818 205 E CB -0.770 29.015 29.700 0.143 0.000 0.741 205 E HN 0.146 nan 8.360 nan 0.000 0.477 206 K N -0.465 119.862 120.400 -0.122 0.000 2.366 206 K HA 0.000 4.320 4.320 -0.000 0.000 0.198 206 K C 0.450 176.718 176.600 -0.554 0.000 1.044 206 K CA 0.907 56.968 56.287 -0.376 0.000 0.973 206 K CB 0.082 32.249 32.500 -0.555 0.000 0.767 206 K HN 0.335 nan 8.250 nan 0.000 0.475 207 Y N -1.147 119.172 120.300 0.032 0.000 2.499 207 Y HA 0.200 4.750 4.550 -0.000 0.000 0.253 207 Y C 0.098 176.062 175.900 0.106 0.000 1.105 207 Y CA -0.770 57.374 58.100 0.075 0.000 1.240 207 Y CB 0.412 38.942 38.460 0.117 0.000 1.289 207 Y HN -0.249 nan 8.280 nan 0.000 0.534 208 V N -0.264 119.774 119.914 0.205 0.000 2.843 208 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 208 V C 1.338 177.488 176.094 0.093 0.000 1.120 208 V CA 0.719 63.125 62.300 0.177 0.000 1.254 208 V CB 0.131 31.975 31.823 0.036 0.000 0.901 208 V HN 0.675 nan 8.190 nan 0.000 0.503 209 G N 2.101 110.946 108.800 0.074 0.000 2.267 209 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 209 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 209 G C 0.233 175.169 174.900 0.060 0.000 0.998 209 G CA 0.535 45.660 45.100 0.041 0.000 0.620 209 G HN 0.958 nan 8.290 nan 0.000 0.529 210 Q N 0.437 120.296 119.800 0.098 0.000 2.260 210 Q HA 0.480 4.820 4.340 -0.000 0.000 0.242 210 Q C -0.536 175.514 176.000 0.085 0.000 0.932 210 Q CA -0.463 55.402 55.803 0.103 0.000 0.891 210 Q CB 0.644 29.479 28.738 0.161 0.000 1.222 210 Q HN 0.281 nan 8.270 nan 0.000 0.453 211 N N 2.332 121.076 118.700 0.072 0.000 2.479 211 N HA 0.371 5.111 4.740 -0.000 0.000 0.261 211 N C -1.063 174.481 175.510 0.056 0.000 0.979 211 N CA -0.180 52.905 53.050 0.058 0.000 0.930 211 N CB 1.129 39.653 38.487 0.061 0.000 1.172 211 N HN 0.435 nan 8.380 nan 0.000 0.499 212 I N 0.887 121.481 120.570 0.040 0.000 2.312 212 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 212 I C 1.042 177.170 176.117 0.018 0.000 1.008 212 I CA -0.811 60.506 61.300 0.029 0.000 1.226 212 I CB 1.392 39.394 38.000 0.003 0.000 1.371 212 I HN 0.353 nan 8.210 nan 0.000 0.468 213 G N 7.751 116.566 108.800 0.025 0.000 2.356 213 G HA2 0.513 4.473 3.960 -0.000 0.000 0.300 213 G HA3 0.513 4.473 3.960 -0.000 0.000 0.300 213 G C -0.285 174.614 174.900 -0.001 0.000 1.107 213 G CA -0.459 44.654 45.100 0.022 0.000 0.960 213 G HN 0.455 nan 8.290 nan 0.000 0.418 214 L N 1.899 123.114 121.223 -0.014 0.000 2.350 214 L HA 0.658 4.998 4.340 -0.000 0.000 0.275 214 L C 0.602 177.444 176.870 -0.048 0.000 1.099 214 L CA -0.276 54.543 54.840 -0.034 0.000 0.808 214 L CB 1.595 43.625 42.059 -0.047 0.000 1.149 214 L HN 0.548 nan 8.230 nan 0.000 0.442 215 S N 0.311 115.981 115.700 -0.051 0.000 2.558 215 S HA 0.289 4.759 4.470 -0.000 0.000 0.277 215 S C -0.122 174.457 174.600 -0.034 0.000 1.143 215 S CA -0.425 57.741 58.200 -0.057 0.000 0.865 215 S CB 1.955 65.124 63.200 -0.050 0.000 1.102 215 S HN 0.635 nan 8.310 nan 0.000 0.454 216 T N 1.292 115.837 114.554 -0.015 0.000 2.969 216 T HA 0.364 4.714 4.350 -0.000 0.000 0.250 216 T C 0.122 174.858 174.700 0.060 0.000 1.021 216 T CA 0.941 63.066 62.100 0.042 0.000 1.003 216 T CB -0.453 68.474 68.868 0.098 0.000 1.040 216 T HN 1.179 nan 8.240 nan 0.000 0.492 217 C N 1.260 120.582 119.300 0.038 0.000 3.165 217 C HA 0.758 5.218 4.460 -0.000 0.000 0.345 217 C C -1.982 172.933 174.990 -0.125 0.000 1.367 217 C CA -1.680 57.300 59.018 -0.065 0.000 1.205 217 C CB 1.262 28.970 27.740 -0.054 0.000 1.447 217 C HN 0.523 nan 8.230 nan 0.000 0.451 218 R N 0.685 120.991 120.500 -0.324 0.000 2.533 218 R HA 0.853 5.193 4.340 -0.000 0.000 0.288 218 R C -1.549 174.525 176.300 -0.377 0.000 1.039 218 R CA -0.411 55.562 56.100 -0.211 0.000 0.909 218 R CB 1.337 31.571 30.300 -0.110 0.000 1.195 218 R HN 0.917 nan 8.270 nan 0.000 0.438 219 H N 0.891 120.072 119.070 0.184 0.000 2.980 219 H HA 0.329 4.885 4.556 -0.000 0.000 0.367 219 H C -0.275 175.202 175.328 0.248 0.000 1.206 219 H CA -0.576 55.584 56.048 0.187 0.000 1.126 219 H CB 2.430 32.267 29.762 0.125 0.000 1.838 219 H HN 0.829 nan 8.280 nan 0.000 0.552 220 T N -1.831 112.910 114.554 0.313 0.000 2.849 220 T HA 0.420 4.770 4.350 -0.000 0.000 0.284 220 T C 1.495 176.327 174.700 0.221 0.000 1.004 220 T CA -0.132 62.080 62.100 0.186 0.000 1.021 220 T CB 1.193 70.127 68.868 0.111 0.000 1.013 220 T HN 0.629 nan 8.240 nan 0.000 0.527 221 A N 0.119 122.977 122.820 0.063 0.000 1.940 221 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 221 A C 2.266 179.910 177.584 0.100 0.000 1.176 221 A CA 2.035 54.075 52.037 0.006 0.000 0.631 221 A CB -1.176 17.761 19.000 -0.104 0.000 0.814 221 A HN 1.043 nan 8.150 nan 0.000 0.446 222 E N -0.235 120.014 120.200 0.082 0.000 2.110 222 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 222 E C 1.856 178.504 176.600 0.080 0.000 0.988 222 E CA 1.414 57.859 56.400 0.074 0.000 0.804 222 E CB -0.105 29.627 29.700 0.054 0.000 0.745 222 E HN 0.761 nan 8.360 nan 0.000 0.458 223 E N -0.851 119.410 120.200 0.101 0.000 2.152 223 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 223 E C 1.690 178.269 176.600 -0.036 0.000 0.983 223 E CA 0.739 57.150 56.400 0.018 0.000 0.818 223 E CB -0.062 29.655 29.700 0.030 0.000 0.758 223 E HN 0.346 nan 8.360 nan 0.000 0.467 224 Y N 0.783 121.049 120.300 -0.057 0.000 2.181 224 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 224 Y C 2.390 178.262 175.900 -0.048 0.000 1.146 224 Y CA 1.352 59.420 58.100 -0.052 0.000 1.164 224 Y CB -0.386 38.082 38.460 0.013 0.000 0.982 224 Y HN 0.047 nan 8.280 nan 0.000 0.515 225 A N -0.291 122.615 122.820 0.144 0.000 1.902 225 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 225 A C 2.406 179.993 177.584 0.005 0.000 1.181 225 A CA 1.726 53.805 52.037 0.069 0.000 0.623 225 A CB -1.234 17.813 19.000 0.078 0.000 0.818 225 A HN 0.409 nan 8.150 nan 0.000 0.443 226 A N -0.401 122.414 122.820 -0.008 0.000 1.933 226 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 226 A C 2.153 179.689 177.584 -0.081 0.000 1.175 226 A CA 1.440 53.452 52.037 -0.043 0.000 0.628 226 A CB -0.517 18.459 19.000 -0.040 0.000 0.814 226 A HN 0.467 nan 8.150 nan 0.000 0.444 227 L N -0.915 120.249 121.223 -0.099 0.000 2.109 227 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 227 L C 2.489 179.343 176.870 -0.027 0.000 1.086 227 L CA 0.755 55.543 54.840 -0.085 0.000 0.760 227 L CB -0.417 41.548 42.059 -0.157 0.000 0.910 227 L HN 0.349 nan 8.230 nan 0.000 0.437 228 L N -0.878 120.301 121.223 -0.072 0.000 2.083 228 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 228 L C 2.602 179.387 176.870 -0.141 0.000 1.083 228 L CA 1.335 56.088 54.840 -0.145 0.000 0.752 228 L CB -0.732 41.223 42.059 -0.174 0.000 0.899 228 L HN 0.239 nan 8.230 nan 0.000 0.433 229 T N -0.540 113.949 114.554 -0.110 0.000 2.684 229 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 229 T C 1.918 176.542 174.700 -0.127 0.000 1.036 229 T CA 1.653 63.689 62.100 -0.108 0.000 1.148 229 T CB -0.120 68.694 68.868 -0.090 0.000 0.863 229 T HN 0.274 nan 8.240 nan 0.000 0.436 230 K N 0.097 120.396 120.400 -0.168 0.000 2.026 230 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 230 K C 2.193 178.610 176.600 -0.306 0.000 1.048 230 K CA 1.468 57.598 56.287 -0.261 0.000 0.929 230 K CB -0.186 32.086 32.500 -0.379 0.000 0.713 230 K HN 0.461 nan 8.250 nan 0.000 0.439 231 H N -0.476 118.516 119.070 -0.129 0.000 2.436 231 H HA -0.031 4.525 4.556 0.000 0.000 0.294 231 H C 1.904 177.149 175.328 -0.139 0.000 1.048 231 H CA 1.781 57.750 56.048 -0.132 0.000 1.353 231 H CB 0.124 29.797 29.762 -0.149 0.000 1.414 231 H HN 0.474 nan 8.280 nan 0.000 0.536 232 T N -0.860 113.649 114.554 -0.076 0.000 3.086 232 T HA 0.010 4.360 4.350 -0.000 0.000 0.250 232 T C 1.001 175.658 174.700 -0.071 0.000 1.074 232 T CA -0.305 61.734 62.100 -0.101 0.000 0.988 232 T CB 0.095 68.838 68.868 -0.207 0.000 0.988 232 T HN 0.414 nan 8.240 nan 0.000 0.530 233 R N 0.796 121.254 120.500 -0.070 0.000 3.416 233 R HA -0.180 4.160 4.340 -0.000 0.000 0.263 233 R C -1.035 175.248 176.300 -0.029 0.000 1.053 233 R CA 0.924 56.993 56.100 -0.051 0.000 0.705 233 R CB -3.034 27.244 30.300 -0.036 0.000 1.124 233 R HN 0.540 nan 8.270 nan 0.000 0.444 234 K N 0.184 120.563 120.400 -0.036 0.000 2.469 234 K HA 0.478 4.798 4.320 -0.000 0.000 0.254 234 K C -0.278 176.319 176.600 -0.005 0.000 0.939 234 K CA -0.991 55.308 56.287 0.021 0.000 0.812 234 K CB 2.784 35.318 32.500 0.056 0.000 1.301 234 K HN -0.032 nan 8.250 nan 0.000 0.433 235 V N 2.700 122.616 119.914 0.003 0.000 2.446 235 V HA 0.098 4.218 4.120 -0.000 0.000 0.276 235 V C -0.255 175.755 176.094 -0.139 0.000 1.030 235 V CA -0.304 61.928 62.300 -0.114 0.000 1.033 235 V CB 0.702 32.426 31.823 -0.166 0.000 0.993 235 V HN 0.388 nan 8.190 nan 0.000 0.477 236 V N 5.861 125.667 119.914 -0.180 0.000 2.376 236 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 236 V C -0.211 175.810 176.094 -0.122 0.000 1.015 236 V CA -0.724 61.516 62.300 -0.101 0.000 0.834 236 V CB 1.238 33.043 31.823 -0.030 0.000 1.001 236 V HN 0.824 nan 8.190 nan 0.000 0.428 237 H N 1.978 121.092 119.070 0.073 0.000 2.496 237 H HA 0.368 4.924 4.556 0.000 0.000 0.342 237 H C -0.574 174.782 175.328 0.047 0.000 1.170 237 H CA -0.745 55.331 56.048 0.048 0.000 1.274 237 H CB 1.896 31.681 29.762 0.039 0.000 1.538 237 H HN 0.634 nan 8.280 nan 0.000 0.542 238 D N 0.655 121.159 120.400 0.175 0.000 2.325 238 D HA 0.178 4.818 4.640 -0.000 0.000 0.251 238 D C 0.890 177.231 176.300 0.068 0.000 1.196 238 D CA -0.307 53.746 54.000 0.088 0.000 0.866 238 D CB 0.840 41.674 40.800 0.057 0.000 1.101 238 D HN 0.573 nan 8.370 nan 0.000 0.476 239 A N 4.741 127.595 122.820 0.057 0.000 2.076 239 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 239 A C 1.121 178.714 177.584 0.015 0.000 1.160 239 A CA 0.816 52.881 52.037 0.046 0.000 0.653 239 A CB -0.385 18.650 19.000 0.057 0.000 0.801 239 A HN 0.683 nan 8.150 nan 0.000 0.455 240 K N -2.229 118.167 120.400 -0.007 0.000 3.069 240 K HA -0.207 4.113 4.320 -0.000 0.000 0.267 240 K C 0.013 176.602 176.600 -0.018 0.000 1.082 240 K CA 1.266 57.541 56.287 -0.019 0.000 0.782 240 K CB -2.304 30.190 32.500 -0.010 0.000 1.230 240 K HN 0.754 nan 8.250 nan 0.000 0.488 241 M N 1.354 120.941 119.600 -0.021 0.000 2.249 241 M HA 0.079 4.559 4.480 -0.000 0.000 0.351 241 M C 0.796 177.077 176.300 -0.031 0.000 1.180 241 M CA -0.007 55.297 55.300 0.007 0.000 1.127 241 M CB 0.935 33.577 32.600 0.071 0.000 1.546 241 M HN 0.275 nan 8.290 nan 0.000 0.461 242 T N 1.661 116.217 114.554 0.004 0.000 2.899 242 T HA 0.422 4.771 4.350 -0.000 0.000 0.284 242 T C -2.296 172.422 174.700 0.030 0.000 1.004 242 T CA -1.625 60.471 62.100 -0.006 0.000 1.043 242 T CB 0.823 69.700 68.868 0.014 0.000 1.013 242 T HN 0.480 nan 8.240 nan 0.000 0.518 243 P HA -0.068 nan 4.420 nan 0.000 0.216 243 P C 1.513 178.901 177.300 0.146 0.000 1.150 243 P CA 0.938 64.093 63.100 0.091 0.000 0.837 243 P CB 0.125 31.872 31.700 0.079 0.000 0.786 244 E N -0.367 119.887 120.200 0.089 0.000 2.049 244 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 244 E C 1.600 178.252 176.600 0.086 0.000 1.007 244 E CA 1.342 57.786 56.400 0.074 0.000 0.809 244 E CB -0.442 29.286 29.700 0.047 0.000 0.749 244 E HN 0.287 nan 8.360 nan 0.000 0.450 245 D N -0.516 119.940 120.400 0.094 0.000 2.178 245 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 245 D C 1.732 178.117 176.300 0.141 0.000 0.980 245 D CA 0.789 54.847 54.000 0.096 0.000 0.842 245 D CB -0.213 40.641 40.800 0.091 0.000 0.948 245 D HN 0.216 nan 8.370 nan 0.000 0.472 246 Y N 2.260 122.593 120.300 0.054 0.000 2.114 246 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 246 Y C 2.260 178.198 175.900 0.063 0.000 1.143 246 Y CA 1.885 60.049 58.100 0.107 0.000 1.135 246 Y CB -0.149 38.380 38.460 0.114 0.000 0.980 246 Y HN 0.053 nan 8.280 nan 0.000 0.499 247 E N -0.326 119.945 120.200 0.120 0.000 2.401 247 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 247 E C 1.455 177.989 176.600 -0.111 0.000 1.023 247 E CA 1.327 57.712 56.400 -0.026 0.000 0.859 247 E CB -0.332 29.395 29.700 0.045 0.000 0.780 247 E HN 0.457 nan 8.360 nan 0.000 0.523 248 K N 0.521 120.881 120.400 -0.067 0.000 2.379 248 K HA 0.160 4.480 4.320 -0.000 0.000 0.194 248 K C 1.861 178.409 176.600 -0.087 0.000 1.031 248 K CA -0.013 56.237 56.287 -0.063 0.000 1.037 248 K CB 0.165 32.657 32.500 -0.014 0.000 0.824 248 K HN 0.131 nan 8.250 nan 0.000 0.516 249 L N 0.379 121.526 121.223 -0.127 0.000 2.261 249 L HA -0.159 4.181 4.340 -0.000 0.000 0.216 249 L C 1.500 178.338 176.870 -0.053 0.000 1.114 249 L CA 1.404 56.211 54.840 -0.056 0.000 0.777 249 L CB -0.661 41.427 42.059 0.047 0.000 0.910 249 L HN 0.556 nan 8.230 nan 0.000 0.440 250 G N -0.145 108.540 108.800 -0.192 0.000 2.199 250 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 250 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 250 G C 0.268 175.114 174.900 -0.090 0.000 0.982 250 G CA 0.176 45.204 45.100 -0.121 0.000 0.632 250 G HN 0.363 nan 8.290 nan 0.000 0.529 251 F N 0.668 120.584 119.950 -0.056 0.000 2.399 251 F HA 0.728 5.255 4.527 -0.000 0.000 0.342 251 F C -1.864 173.930 175.800 -0.011 0.000 1.106 251 F CA -3.493 54.483 58.000 -0.039 0.000 1.196 251 F CB -0.117 38.849 39.000 -0.058 0.000 1.163 251 F HN -0.079 nan 8.300 nan 0.000 0.547 252 P HA 0.187 nan 4.420 nan 0.000 0.260 252 P C 0.731 178.139 177.300 0.180 0.000 1.172 252 P CA 1.499 64.664 63.100 0.108 0.000 0.760 252 P CB 0.558 32.335 31.700 0.128 0.000 0.773 253 G N 2.690 111.577 108.800 0.145 0.000 2.175 253 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 253 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 253 G C 1.175 176.153 174.900 0.130 0.000 0.982 253 G CA 0.414 45.686 45.100 0.286 0.000 0.641 253 G HN 0.670 nan 8.290 nan 0.000 0.527 254 A N 0.186 122.818 122.820 -0.314 0.000 1.908 254 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 254 A C 2.197 179.733 177.584 -0.080 0.000 1.181 254 A CA 2.347 54.042 52.037 -0.571 0.000 0.627 254 A CB -0.475 17.768 19.000 -1.261 0.000 0.818 254 A HN 0.536 nan 8.150 nan 0.000 0.445 255 R N -0.469 120.003 120.500 -0.046 0.000 2.070 255 R HA -0.131 4.209 4.340 -0.000 0.000 0.233 255 R C 1.780 178.148 176.300 0.112 0.000 1.137 255 R CA 1.704 57.824 56.100 0.035 0.000 0.945 255 R CB -0.345 29.963 30.300 0.013 0.000 0.845 255 R HN 0.557 nan 8.270 nan 0.000 0.430 256 D N 0.485 120.974 120.400 0.149 0.000 2.123 256 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 256 D C 1.982 178.461 176.300 0.298 0.000 0.992 256 D CA 1.182 55.311 54.000 0.215 0.000 0.833 256 D CB -0.049 40.897 40.800 0.244 0.000 0.954 256 D HN 0.271 nan 8.370 nan 0.000 0.455 257 L N 0.804 122.224 121.223 0.328 0.000 2.093 257 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 257 L C 2.685 179.774 176.870 0.365 0.000 1.085 257 L CA 0.857 55.913 54.840 0.360 0.000 0.755 257 L CB -0.418 41.997 42.059 0.593 0.000 0.904 257 L HN -0.037 nan 8.230 nan 0.000 0.435 258 A N 0.386 123.467 122.820 0.435 0.000 1.933 258 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 258 A C 1.977 179.675 177.584 0.190 0.000 1.175 258 A CA 2.207 54.479 52.037 0.391 0.000 0.628 258 A CB -0.642 18.550 19.000 0.320 0.000 0.814 258 A HN 0.425 nan 8.150 nan 0.000 0.444 259 N N -1.027 117.729 118.700 0.092 0.000 2.270 259 N HA -0.066 4.674 4.740 -0.000 0.000 0.181 259 N C 1.688 177.102 175.510 -0.160 0.000 1.016 259 N CA 1.378 54.414 53.050 -0.023 0.000 0.870 259 N CB -0.319 38.132 38.487 -0.060 0.000 0.979 259 N HN 0.608 nan 8.380 nan 0.000 0.431 260 M N -0.748 118.702 119.600 -0.249 0.000 2.117 260 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 260 M C 0.966 176.852 176.300 -0.691 0.000 1.065 260 M CA 1.546 56.464 55.300 -0.636 0.000 1.114 260 M CB -0.095 32.179 32.600 -0.544 0.000 1.361 260 M HN 0.043 nan 8.290 nan 0.000 0.408 261 F N 0.478 120.252 119.950 -0.294 0.000 2.186 261 F HA -0.087 4.440 4.527 0.000 0.000 0.299 261 F C 2.488 178.227 175.800 -0.102 0.000 1.090 261 F CA 1.349 59.222 58.000 -0.211 0.000 1.307 261 F CB -0.579 38.326 39.000 -0.158 0.000 1.019 261 F HN 0.126 nan 8.300 nan 0.000 0.489 262 R N -1.082 119.476 120.500 0.096 0.000 2.096 262 R HA -0.191 4.149 4.340 -0.000 0.000 0.235 262 R C 2.181 178.519 176.300 0.064 0.000 1.127 262 R CA 1.507 57.650 56.100 0.072 0.000 0.968 262 R CB -0.741 29.591 30.300 0.054 0.000 0.861 262 R HN 0.260 nan 8.270 nan 0.000 0.440 263 F N 0.453 120.300 119.950 -0.172 0.000 2.146 263 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 263 F C 1.698 177.490 175.800 -0.013 0.000 1.096 263 F CA 1.251 59.144 58.000 -0.178 0.000 1.275 263 F CB -0.416 38.347 39.000 -0.395 0.000 1.008 263 F HN -0.003 nan 8.300 nan 0.000 0.480 264 Y N -0.436 119.781 120.300 -0.138 0.000 2.333 264 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 264 Y C 2.503 178.313 175.900 -0.151 0.000 1.144 264 Y CA 0.187 58.178 58.100 -0.182 0.000 1.228 264 Y CB -0.484 37.957 38.460 -0.031 0.000 0.985 264 Y HN 0.157 nan 8.280 nan 0.000 0.542 265 A N -0.079 122.785 122.820 0.073 0.000 2.216 265 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 265 A C 1.742 179.302 177.584 -0.040 0.000 1.160 265 A CA 0.863 52.916 52.037 0.026 0.000 0.725 265 A CB -0.726 18.297 19.000 0.038 0.000 0.784 265 A HN 0.502 nan 8.150 nan 0.000 0.472 266 L N -1.652 119.499 121.223 -0.119 0.000 2.628 266 L HA 0.197 4.537 4.340 -0.000 0.000 0.229 266 L C 0.050 176.810 176.870 -0.183 0.000 1.137 266 L CA -0.312 54.441 54.840 -0.145 0.000 0.909 266 L CB -0.109 41.850 42.059 -0.166 0.000 1.137 266 L HN 0.345 nan 8.230 nan 0.000 0.470 267 R N -0.628 119.763 120.500 -0.182 0.000 2.983 267 R HA -0.114 4.226 4.340 -0.000 0.000 0.272 267 R C -2.302 173.879 176.300 -0.199 0.000 0.926 267 R CA -0.470 55.537 56.100 -0.155 0.000 0.667 267 R CB -1.846 28.399 30.300 -0.091 0.000 1.540 267 R HN 0.162 nan 8.270 nan 0.000 0.467 268 P HA -0.054 nan 4.420 nan 0.000 0.269 268 P C -0.195 177.062 177.300 -0.072 0.000 1.217 268 P CA -0.233 62.733 63.100 -0.222 0.000 0.783 268 P CB 0.492 32.099 31.700 -0.156 0.000 0.898 269 D N 1.893 122.292 120.400 -0.001 0.000 2.348 269 D HA 0.083 4.723 4.640 -0.000 0.000 0.259 269 D C -0.501 175.810 176.300 0.018 0.000 1.296 269 D CA 0.072 54.080 54.000 0.014 0.000 0.931 269 D CB -0.236 40.588 40.800 0.040 0.000 1.067 269 D HN 0.031 nan 8.370 nan 0.000 0.503 270 R N 2.522 123.018 120.500 -0.008 0.000 2.435 270 R HA 0.268 4.608 4.340 -0.000 0.000 0.308 270 R C -1.158 175.134 176.300 -0.013 0.000 0.975 270 R CA -0.668 55.424 56.100 -0.014 0.000 0.867 270 R CB 1.125 31.398 30.300 -0.045 0.000 1.171 270 R HN 0.220 nan 8.270 nan 0.000 0.470 271 D N 4.475 124.874 120.400 -0.001 0.000 2.411 271 D HA 0.139 4.779 4.640 -0.000 0.000 0.225 271 D C 1.099 177.398 176.300 -0.001 0.000 1.156 271 D CA -0.044 53.958 54.000 0.004 0.000 0.874 271 D CB 0.713 41.525 40.800 0.020 0.000 1.034 271 D HN 0.534 nan 8.370 nan 0.000 0.502 272 I N 2.417 122.984 120.570 -0.005 0.000 2.202 272 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 272 I C 2.062 178.183 176.117 0.007 0.000 1.091 272 I CA 0.652 61.950 61.300 -0.004 0.000 1.368 272 I CB 0.119 38.114 38.000 -0.008 0.000 1.058 272 I HN 0.321 nan 8.210 nan 0.000 0.410 273 E N 0.842 121.050 120.200 0.013 0.000 2.077 273 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 273 E C 2.268 178.885 176.600 0.029 0.000 0.989 273 E CA 1.067 57.480 56.400 0.021 0.000 0.800 273 E CB -0.492 29.222 29.700 0.024 0.000 0.746 273 E HN 0.467 nan 8.360 nan 0.000 0.452 274 L N 0.940 122.182 121.223 0.032 0.000 2.046 274 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 274 L C 2.248 179.129 176.870 0.019 0.000 1.077 274 L CA 1.551 56.417 54.840 0.044 0.000 0.747 274 L CB -0.446 41.645 42.059 0.053 0.000 0.896 274 L HN 0.178 nan 8.230 nan 0.000 0.432 275 T N 0.427 114.983 114.554 0.003 0.000 2.684 275 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 275 T C 1.864 176.561 174.700 -0.004 0.000 1.036 275 T CA 1.447 63.539 62.100 -0.013 0.000 1.148 275 T CB -0.295 68.562 68.868 -0.019 0.000 0.863 275 T HN 0.273 nan 8.240 nan 0.000 0.436 276 L N 0.219 121.448 121.223 0.010 0.000 2.362 276 L HA -0.004 4.336 4.340 -0.000 0.000 0.219 276 L C 2.789 179.673 176.870 0.023 0.000 1.134 276 L CA 0.958 55.809 54.840 0.019 0.000 0.807 276 L CB -0.407 41.668 42.059 0.025 0.000 0.927 276 L HN 0.188 nan 8.230 nan 0.000 0.447 277 R N -0.030 120.488 120.500 0.028 0.000 2.075 277 R HA -0.030 4.310 4.340 -0.000 0.000 0.226 277 R C 2.232 178.553 176.300 0.035 0.000 1.114 277 R CA 0.930 57.055 56.100 0.042 0.000 0.972 277 R CB -0.226 30.113 30.300 0.065 0.000 0.869 277 R HN 0.310 nan 8.270 nan 0.000 0.437 278 L N 0.425 121.655 121.223 0.010 0.000 2.141 278 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 278 L C 0.723 177.587 176.870 -0.010 0.000 1.094 278 L CA 0.707 55.536 54.840 -0.019 0.000 0.763 278 L CB -0.193 41.815 42.059 -0.085 0.000 0.908 278 L HN 0.146 nan 8.230 nan 0.000 0.437 279 N N -1.019 117.678 118.700 -0.005 0.000 2.710 279 N HA 0.178 4.918 4.740 -0.000 0.000 0.244 279 N C -2.225 173.293 175.510 0.014 0.000 1.321 279 N CA -1.551 51.500 53.050 0.001 0.000 0.758 279 N CB 1.129 39.608 38.487 -0.013 0.000 1.284 279 N HN -0.261 nan 8.380 nan 0.000 0.530 280 P HA -0.081 nan 4.420 nan 0.000 0.220 280 P C 0.401 177.721 177.300 0.034 0.000 1.144 280 P CA 1.283 64.400 63.100 0.028 0.000 0.800 280 P CB 0.350 32.068 31.700 0.029 0.000 0.772 281 K N -1.122 119.298 120.400 0.033 0.000 2.404 281 K HA 0.249 4.569 4.320 -0.000 0.000 0.194 281 K C 0.774 177.409 176.600 0.058 0.000 1.023 281 K CA -0.250 56.063 56.287 0.043 0.000 1.094 281 K CB 0.071 32.594 32.500 0.038 0.000 0.841 281 K HN 0.045 nan 8.250 nan 0.000 0.523 282 A N 1.868 124.717 122.820 0.049 0.000 2.567 282 A HA 0.053 4.373 4.320 -0.000 0.000 0.240 282 A C 0.163 177.813 177.584 0.110 0.000 1.053 282 A CA 0.078 52.151 52.037 0.060 0.000 0.755 282 A CB -0.125 18.889 19.000 0.024 0.000 0.978 282 A HN 0.238 nan 8.150 nan 0.000 0.507 283 L N 2.270 123.598 121.223 0.175 0.000 2.417 283 L HA 0.255 4.595 4.340 -0.000 0.000 0.268 283 L C 1.176 178.244 176.870 0.330 0.000 1.158 283 L CA -0.348 54.644 54.840 0.254 0.000 0.819 283 L CB 0.684 42.962 42.059 0.366 0.000 1.112 283 L HN 0.739 nan 8.230 nan 0.000 0.458 284 T N 1.171 115.880 114.554 0.259 0.000 2.816 284 T HA 0.148 4.498 4.350 -0.000 0.000 0.282 284 T C 1.140 175.929 174.700 0.148 0.000 0.993 284 T CA -0.468 61.774 62.100 0.238 0.000 0.994 284 T CB 0.902 69.856 68.868 0.143 0.000 1.025 284 T HN 0.493 nan 8.240 nan 0.000 0.529 285 L N 0.964 122.143 121.223 -0.074 0.000 2.017 285 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 285 L C 2.215 178.897 176.870 -0.313 0.000 1.073 285 L CA 2.149 56.576 54.840 -0.689 0.000 0.745 285 L CB -0.400 41.281 42.059 -0.631 0.000 0.894 285 L HN 0.800 nan 8.230 nan 0.000 0.432 286 D N -0.734 119.583 120.400 -0.139 0.000 2.117 286 D HA -0.259 4.381 4.640 -0.000 0.000 0.197 286 D C 2.194 178.435 176.300 -0.098 0.000 0.987 286 D CA 1.465 55.419 54.000 -0.077 0.000 0.829 286 D CB 0.117 40.936 40.800 0.031 0.000 0.961 286 D HN 0.396 nan 8.370 nan 0.000 0.460 287 Q N -1.263 118.538 119.800 0.001 0.000 2.119 287 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 287 Q C 1.731 177.757 176.000 0.043 0.000 0.972 287 Q CA 1.146 56.967 55.803 0.030 0.000 0.847 287 Q CB -0.243 28.552 28.738 0.094 0.000 0.903 287 Q HN 0.506 nan 8.270 nan 0.000 0.433 288 W N 0.863 122.110 121.300 -0.089 0.000 2.381 288 W HA -0.084 4.576 4.660 -0.000 0.000 0.301 288 W C 1.317 177.826 176.519 -0.017 0.000 1.205 288 W CA 1.028 58.383 57.345 0.016 0.000 1.285 288 W CB 0.024 29.494 29.460 0.018 0.000 1.133 288 W HN 0.019 nan 8.180 nan 0.000 0.521 289 L N 0.355 121.488 121.223 -0.151 0.000 2.217 289 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 289 L C 2.412 178.963 176.870 -0.532 0.000 1.107 289 L CA 1.669 56.280 54.840 -0.382 0.000 0.783 289 L CB -0.906 40.906 42.059 -0.411 0.000 0.919 289 L HN 0.055 nan 8.230 nan 0.000 0.442 290 E N 0.280 120.118 120.200 -0.603 0.000 2.085 290 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 290 E C 2.029 178.498 176.600 -0.217 0.000 0.994 290 E CA 1.362 57.574 56.400 -0.314 0.000 0.801 290 E CB 0.078 29.692 29.700 -0.144 0.000 0.743 290 E HN 0.540 nan 8.360 nan 0.000 0.453 291 Q N -1.488 118.148 119.800 -0.273 0.000 2.408 291 Q HA 0.004 4.344 4.340 -0.000 0.000 0.205 291 Q C 1.109 176.744 176.000 -0.607 0.000 0.919 291 Q CA 0.386 55.980 55.803 -0.348 0.000 0.932 291 Q CB 0.517 29.074 28.738 -0.301 0.000 1.058 291 Q HN 0.435 nan 8.270 nan 0.000 0.517 292 H N 0.546 119.306 119.070 -0.518 0.000 2.893 292 H HA 0.113 4.669 4.556 -0.000 0.000 0.270 292 H C -0.106 175.051 175.328 -0.285 0.000 1.095 292 H CA -0.021 55.676 56.048 -0.585 0.000 1.186 292 H CB 0.689 29.648 29.762 -1.338 0.000 1.562 292 H HN 0.175 nan 8.280 nan 0.000 0.536 293 K N 0.335 120.676 120.400 -0.099 0.000 2.436 293 K HA 0.264 4.584 4.320 -0.000 0.000 0.275 293 K C 0.905 177.531 176.600 0.042 0.000 0.999 293 K CA 0.726 57.055 56.287 0.069 0.000 0.980 293 K CB 0.936 33.439 32.500 0.005 0.000 0.919 293 K HN 0.170 nan 8.250 nan 0.000 0.484 294 G N 2.084 110.954 108.800 0.116 0.000 2.352 294 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.204 294 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.204 294 G C 0.442 175.362 174.900 0.033 0.000 1.004 294 G CA 0.147 45.271 45.100 0.040 0.000 0.648 294 G HN 0.668 nan 8.290 nan 0.000 0.491 295 D N 0.140 120.555 120.400 0.025 0.000 2.323 295 D HA 0.180 4.820 4.640 -0.000 0.000 0.209 295 D C 1.630 177.842 176.300 -0.146 0.000 0.973 295 D CA 0.282 54.236 54.000 -0.078 0.000 0.874 295 D CB -0.182 40.538 40.800 -0.134 0.000 0.930 295 D HN 0.422 nan 8.370 nan 0.000 0.521 296 F N 1.120 121.066 119.950 -0.007 0.000 2.804 296 F HA 0.066 4.593 4.527 -0.000 0.000 0.303 296 F C 0.756 176.528 175.800 -0.048 0.000 1.154 296 F CA -0.237 57.752 58.000 -0.017 0.000 1.401 296 F CB -0.424 38.558 39.000 -0.029 0.000 1.106 296 F HN -0.253 nan 8.300 nan 0.000 0.568 297 N N 2.693 121.449 118.700 0.095 0.000 2.297 297 N HA -0.049 4.691 4.740 -0.000 0.000 0.293 297 N C -0.474 175.059 175.510 0.037 0.000 1.263 297 N CA 0.844 53.925 53.050 0.051 0.000 1.131 297 N CB -0.369 38.135 38.487 0.027 0.000 1.491 297 N HN 0.265 nan 8.380 nan 0.000 0.486 298 L N 0.000 121.236 121.223 0.022 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.849 54.840 0.016 0.000 0.813 298 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502