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 5cev_1_C DATA FIRST_RESID 2 DATA SEQUENCE KPISIIGVPM DLGQTRRGVD MGPSAMRYAG VIERLERLHY DIEDLGDIPI DATA SEQUENCE GKAERLHEQG DSRLRNLKAV AEANEKLAAA VDQVVQRGRF PLVLGGDHSI DATA SEQUENCE AIGTLAGVAK HYERLGVIWY DAHGDVNTAE TSPSGNIHGM PLAASLGFGH DATA SEQUENCE PALTQIGGYS PKIKPEHVVL IGVRSLDEGE KKFIREKGIK IYTMHEVDRL DATA SEQUENCE GMTRVMEETI AYLKERTDGV HLSLDLDGLD PSDAPGVGTP VIGGLTYRES DATA SEQUENCE HLAMEMLAEA QIITSAEFVE VNPILDERNK TASVAVALMG SLFGEKLM 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.731 176.600 0.218 0.000 0.988 2 K CA 0.000 56.406 56.287 0.198 0.000 0.838 2 K CB 0.000 32.642 32.500 0.237 0.000 1.064 3 P HA 0.190 nan 4.420 nan 0.000 0.269 3 P C -0.828 176.523 177.300 0.085 0.000 1.215 3 P CA -0.109 63.064 63.100 0.122 0.000 0.780 3 P CB 0.447 32.195 31.700 0.081 0.000 0.898 4 I N 0.584 121.145 120.570 -0.016 0.000 2.530 4 I HA 0.308 4.478 4.170 -0.000 0.000 0.297 4 I C -0.071 176.029 176.117 -0.028 0.000 1.011 4 I CA -0.413 60.839 61.300 -0.081 0.000 1.107 4 I CB 1.922 39.654 38.000 -0.446 0.000 1.285 4 I HN 0.166 nan 8.210 nan 0.000 0.436 5 S N 5.886 121.609 115.700 0.039 0.000 2.519 5 S HA 0.603 5.073 4.470 -0.000 0.000 0.309 5 S C -0.421 174.201 174.600 0.037 0.000 1.100 5 S CA -0.515 57.703 58.200 0.029 0.000 1.059 5 S CB 1.419 64.646 63.200 0.046 0.000 1.008 5 S HN 0.331 nan 8.310 nan 0.000 0.478 6 I N 3.626 124.199 120.570 0.006 0.000 2.353 6 I HA 0.457 4.627 4.170 -0.000 0.000 0.293 6 I C -0.718 175.412 176.117 0.020 0.000 0.992 6 I CA -0.459 60.847 61.300 0.010 0.000 1.268 6 I CB 1.028 39.011 38.000 -0.028 0.000 1.387 6 I HN 0.461 nan 8.210 nan 0.000 0.478 7 I N 5.357 125.949 120.570 0.036 0.000 2.439 7 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 7 I C 0.355 176.489 176.117 0.028 0.000 1.021 7 I CA -0.456 60.863 61.300 0.032 0.000 1.091 7 I CB 1.903 39.929 38.000 0.043 0.000 1.242 7 I HN 0.577 nan 8.210 nan 0.000 0.439 8 G N 5.232 114.039 108.800 0.011 0.000 2.356 8 G HA2 0.549 4.509 3.960 -0.000 0.000 0.298 8 G HA3 0.549 4.509 3.960 -0.000 0.000 0.298 8 G C -0.577 174.328 174.900 0.009 0.000 1.145 8 G CA -0.267 44.834 45.100 0.001 0.000 0.850 8 G HN 0.360 nan 8.290 nan 0.000 0.487 9 V N 4.283 124.204 119.914 0.012 0.000 2.320 9 V HA 0.257 4.377 4.120 -0.000 0.000 0.268 9 V C -2.011 174.088 176.094 0.009 0.000 1.021 9 V CA -1.413 60.897 62.300 0.016 0.000 0.813 9 V CB 1.760 33.601 31.823 0.030 0.000 1.054 9 V HN 0.712 nan 8.190 nan 0.000 0.444 10 P HA 0.136 nan 4.420 nan 0.000 0.235 10 P C -0.342 176.960 177.300 0.003 0.000 1.765 10 P CA -0.112 62.986 63.100 -0.003 0.000 1.034 10 P CB 0.321 32.017 31.700 -0.008 0.000 1.984 11 M N 3.135 122.740 119.600 0.009 0.000 2.209 11 M HA 0.260 4.740 4.480 -0.000 0.000 0.355 11 M C 0.237 176.541 176.300 0.007 0.000 1.171 11 M CA 0.046 55.352 55.300 0.011 0.000 1.069 11 M CB 0.903 33.518 32.600 0.026 0.000 1.622 11 M HN -0.097 nan 8.290 nan 0.000 0.459 12 D N 3.598 123.994 120.400 -0.006 0.000 2.562 12 D HA 0.047 4.687 4.640 -0.000 0.000 0.246 12 D C 0.592 176.866 176.300 -0.043 0.000 1.347 12 D CA 0.155 54.142 54.000 -0.022 0.000 0.800 12 D CB -0.696 40.093 40.800 -0.019 0.000 1.111 12 D HN 0.695 nan 8.370 nan 0.000 0.508 13 L N 0.370 121.574 121.223 -0.032 0.000 2.313 13 L HA 0.222 4.562 4.340 -0.000 0.000 0.214 13 L C 2.205 179.039 176.870 -0.060 0.000 1.119 13 L CA 1.254 56.070 54.840 -0.041 0.000 0.809 13 L CB -0.035 42.009 42.059 -0.025 0.000 0.933 13 L HN 0.207 nan 8.230 nan 0.000 0.449 14 G N -0.358 108.410 108.800 -0.053 0.000 2.956 14 G HA2 0.097 4.057 3.960 -0.000 0.000 0.207 14 G HA3 0.097 4.057 3.960 -0.000 0.000 0.207 14 G C 0.334 175.065 174.900 -0.281 0.000 1.162 14 G CA 0.156 45.221 45.100 -0.058 0.000 0.796 14 G HN 0.472 nan 8.290 nan 0.000 0.527 15 Q N -2.808 116.794 119.800 -0.331 0.000 2.832 15 Q HA 0.510 4.850 4.340 -0.000 0.000 0.331 15 Q C 0.194 176.055 176.000 -0.231 0.000 0.833 15 Q CA -0.111 55.384 55.803 -0.512 0.000 0.794 15 Q CB 0.354 28.621 28.738 -0.784 0.000 1.387 15 Q HN 0.002 nan 8.270 nan 0.000 0.508 16 T N -3.404 111.043 114.554 -0.179 0.000 3.003 16 T HA 0.420 4.770 4.350 -0.000 0.000 0.261 16 T C 0.018 174.686 174.700 -0.054 0.000 1.003 16 T CA -0.370 61.676 62.100 -0.089 0.000 0.917 16 T CB 0.054 68.885 68.868 -0.061 0.000 1.084 16 T HN 0.400 nan 8.240 nan 0.000 0.522 17 R N 2.063 122.533 120.500 -0.050 0.000 2.254 17 R HA 0.506 4.846 4.340 -0.000 0.000 0.318 17 R C -0.219 176.071 176.300 -0.016 0.000 1.031 17 R CA -0.922 55.167 56.100 -0.019 0.000 0.905 17 R CB 0.880 31.180 30.300 -0.000 0.000 1.050 17 R HN 0.038 nan 8.270 nan 0.000 0.456 18 R N 0.894 121.389 120.500 -0.008 0.000 2.594 18 R HA 0.169 4.509 4.340 -0.000 0.000 0.272 18 R C 1.180 177.482 176.300 0.003 0.000 1.074 18 R CA 0.652 56.749 56.100 -0.005 0.000 1.105 18 R CB 0.789 31.088 30.300 -0.002 0.000 1.008 18 R HN 1.032 nan 8.270 nan 0.000 0.472 19 G N 0.063 108.865 108.800 0.004 0.000 2.391 19 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.204 19 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.204 19 G C 0.690 175.596 174.900 0.009 0.000 1.012 19 G CA 0.060 45.166 45.100 0.009 0.000 0.651 19 G HN 0.440 nan 8.290 nan 0.000 0.494 20 V N 3.039 122.958 119.914 0.009 0.000 2.867 20 V HA -0.044 4.076 4.120 -0.000 0.000 0.260 20 V C 2.516 178.612 176.094 0.005 0.000 1.099 20 V CA 2.944 65.251 62.300 0.012 0.000 1.122 20 V CB -0.372 31.465 31.823 0.022 0.000 0.708 20 V HN 0.709 nan 8.190 nan 0.000 0.490 21 D N -0.813 119.588 120.400 0.001 0.000 2.310 21 D HA -0.218 4.422 4.640 -0.000 0.000 0.212 21 D C 1.772 178.066 176.300 -0.010 0.000 0.965 21 D CA 1.060 55.058 54.000 -0.003 0.000 0.879 21 D CB -0.227 40.572 40.800 -0.003 0.000 0.921 21 D HN 0.522 nan 8.370 nan 0.000 0.510 22 M N 0.462 120.057 119.600 -0.009 0.000 2.561 22 M HA 0.176 4.656 4.480 -0.000 0.000 0.238 22 M C 2.168 178.445 176.300 -0.039 0.000 1.131 22 M CA 0.427 55.715 55.300 -0.019 0.000 1.046 22 M CB 0.362 32.963 32.600 0.002 0.000 1.532 22 M HN 0.046 nan 8.290 nan 0.000 0.497 23 G N 2.332 111.117 108.800 -0.026 0.000 2.491 23 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 23 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 23 G C -1.013 173.851 174.900 -0.061 0.000 1.180 23 G CA 0.787 45.870 45.100 -0.029 0.000 0.774 23 G HN 0.323 nan 8.290 nan 0.000 0.562 24 P HA -0.069 nan 4.420 nan 0.000 0.215 24 P C 2.222 179.416 177.300 -0.177 0.000 1.157 24 P CA 1.871 64.918 63.100 -0.088 0.000 0.874 24 P CB -0.087 31.575 31.700 -0.064 0.000 0.790 25 S N -1.268 114.283 115.700 -0.248 0.000 2.436 25 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 25 S C 1.955 176.137 174.600 -0.696 0.000 1.014 25 S CA 0.900 58.776 58.200 -0.540 0.000 0.950 25 S CB -0.797 62.079 63.200 -0.541 0.000 0.784 25 S HN 0.108 nan 8.310 nan 0.000 0.504 26 A N 1.533 124.171 122.820 -0.303 0.000 1.930 26 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 26 A C 2.075 179.598 177.584 -0.103 0.000 1.175 26 A CA 1.193 53.153 52.037 -0.129 0.000 0.627 26 A CB -0.508 18.473 19.000 -0.031 0.000 0.815 26 A HN 0.461 nan 8.150 nan 0.000 0.443 27 M N -1.321 118.206 119.600 -0.122 0.000 2.229 27 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 27 M C 2.374 178.616 176.300 -0.097 0.000 1.063 27 M CA 1.173 56.420 55.300 -0.089 0.000 1.114 27 M CB -0.240 32.309 32.600 -0.085 0.000 1.387 27 M HN 0.357 nan 8.290 nan 0.000 0.420 28 R N -0.556 119.840 120.500 -0.174 0.000 2.066 28 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 28 R C 2.021 178.335 176.300 0.024 0.000 1.131 28 R CA 1.388 57.410 56.100 -0.128 0.000 0.955 28 R CB -0.318 29.846 30.300 -0.226 0.000 0.851 28 R HN 0.322 nan 8.270 nan 0.000 0.432 29 Y N 0.088 120.380 120.300 -0.014 0.000 2.352 29 Y HA -0.004 4.546 4.550 -0.000 0.000 0.292 29 Y C 2.158 178.050 175.900 -0.012 0.000 1.136 29 Y CA 0.266 58.360 58.100 -0.011 0.000 1.227 29 Y CB -0.693 37.763 38.460 -0.007 0.000 0.991 29 Y HN 0.086 nan 8.280 nan 0.000 0.545 30 A N -0.418 122.468 122.820 0.110 0.000 2.235 30 A HA 0.380 4.700 4.320 -0.000 0.000 0.208 30 A C 1.894 179.500 177.584 0.035 0.000 1.172 30 A CA 0.859 52.931 52.037 0.058 0.000 0.786 30 A CB -1.033 17.981 19.000 0.025 0.000 0.804 30 A HN 0.580 nan 8.150 nan 0.000 0.479 31 G N -1.480 107.344 108.800 0.041 0.000 2.203 31 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.231 31 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.231 31 G C 0.816 175.708 174.900 -0.015 0.000 1.058 31 G CA 0.564 45.676 45.100 0.020 0.000 0.781 31 G HN 0.987 nan 8.290 nan 0.000 0.496 32 V N 0.468 120.358 119.914 -0.039 0.000 2.343 32 V HA -0.158 3.961 4.120 -0.000 0.000 0.247 32 V C 2.630 178.675 176.094 -0.082 0.000 1.051 32 V CA 2.411 64.663 62.300 -0.080 0.000 1.036 32 V CB -0.299 31.457 31.823 -0.112 0.000 0.654 32 V HN 0.520 nan 8.190 nan 0.000 0.451 33 I N 0.235 120.771 120.570 -0.057 0.000 2.179 33 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 33 I C 2.513 178.609 176.117 -0.034 0.000 1.088 33 I CA 1.795 63.063 61.300 -0.053 0.000 1.357 33 I CB -1.457 36.527 38.000 -0.028 0.000 1.051 33 I HN 0.411 nan 8.210 nan 0.000 0.409 34 E N 0.514 120.705 120.200 -0.015 0.000 2.077 34 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 34 E C 2.237 178.835 176.600 -0.003 0.000 0.989 34 E CA 0.938 57.337 56.400 -0.001 0.000 0.800 34 E CB -0.314 29.389 29.700 0.006 0.000 0.746 34 E HN 0.174 nan 8.360 nan 0.000 0.452 35 R N 0.695 121.186 120.500 -0.015 0.000 2.091 35 R HA -0.048 4.292 4.340 -0.000 0.000 0.238 35 R C 1.887 178.183 176.300 -0.006 0.000 1.136 35 R CA 1.321 57.414 56.100 -0.012 0.000 0.959 35 R CB -0.449 29.837 30.300 -0.024 0.000 0.856 35 R HN 0.243 nan 8.270 nan 0.000 0.437 36 L N -0.401 120.798 121.223 -0.040 0.000 2.209 36 L HA 0.027 4.367 4.340 -0.000 0.000 0.207 36 L C 2.130 179.050 176.870 0.084 0.000 1.094 36 L CA 1.023 55.839 54.840 -0.039 0.000 0.790 36 L CB -0.415 41.484 42.059 -0.267 0.000 0.932 36 L HN 0.249 nan 8.230 nan 0.000 0.447 37 E N 0.309 120.535 120.200 0.044 0.000 2.110 37 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 37 E C 2.209 178.870 176.600 0.101 0.000 0.988 37 E CA 0.781 57.228 56.400 0.078 0.000 0.804 37 E CB -0.116 29.610 29.700 0.044 0.000 0.745 37 E HN 0.312 nan 8.360 nan 0.000 0.458 38 R N 1.184 121.718 120.500 0.057 0.000 2.127 38 R HA -0.132 4.207 4.340 -0.000 0.000 0.238 38 R C 1.807 178.058 176.300 -0.083 0.000 1.134 38 R CA 0.935 57.046 56.100 0.018 0.000 0.975 38 R CB -0.136 30.163 30.300 -0.002 0.000 0.865 38 R HN 0.199 nan 8.270 nan 0.000 0.447 39 L N 0.521 121.733 121.223 -0.018 0.000 2.627 39 L HA 0.051 4.391 4.340 -0.000 0.000 0.233 39 L C -0.164 176.602 176.870 -0.174 0.000 1.144 39 L CA 0.085 54.867 54.840 -0.098 0.000 0.892 39 L CB -0.340 41.819 42.059 0.167 0.000 1.039 39 L HN 0.344 nan 8.230 nan 0.000 0.442 40 H N -3.294 115.736 119.070 -0.068 0.000 2.969 40 H HA -0.181 4.375 4.556 -0.000 0.000 0.269 40 H C -0.479 174.721 175.328 -0.212 0.000 1.230 40 H CA 0.218 56.187 56.048 -0.132 0.000 1.123 40 H CB -2.578 27.085 29.762 -0.165 0.000 1.289 40 H HN 0.233 nan 8.280 nan 0.000 0.364 41 Y N 0.443 120.765 120.300 0.037 0.000 2.335 41 Y HA 0.318 4.868 4.550 -0.000 0.000 0.323 41 Y C 1.073 176.949 175.900 -0.040 0.000 1.224 41 Y CA -0.509 57.570 58.100 -0.035 0.000 1.241 41 Y CB 0.786 39.164 38.460 -0.137 0.000 1.235 41 Y HN 0.091 nan 8.280 nan 0.000 0.492 42 D N 2.632 123.125 120.400 0.155 0.000 2.411 42 D HA 0.221 4.861 4.640 -0.000 0.000 0.225 42 D C -1.298 175.035 176.300 0.054 0.000 1.156 42 D CA -0.191 53.853 54.000 0.073 0.000 0.874 42 D CB 0.017 40.849 40.800 0.052 0.000 1.034 42 D HN 0.374 nan 8.370 nan 0.000 0.502 43 I N 2.401 122.982 120.570 0.018 0.000 2.441 43 I HA 0.479 4.649 4.170 -0.000 0.000 0.295 43 I C -0.992 175.109 176.117 -0.027 0.000 0.994 43 I CA -0.548 60.726 61.300 -0.043 0.000 1.144 43 I CB 1.617 39.562 38.000 -0.091 0.000 1.314 43 I HN 0.377 nan 8.210 nan 0.000 0.445 44 E N 5.486 125.667 120.200 -0.032 0.000 2.272 44 E HA 0.268 4.618 4.350 -0.000 0.000 0.269 44 E C -1.807 174.782 176.600 -0.018 0.000 0.877 44 E CA -0.695 55.696 56.400 -0.014 0.000 0.755 44 E CB 1.457 31.156 29.700 -0.000 0.000 1.192 44 E HN 0.590 nan 8.360 nan 0.000 0.422 45 D N 5.206 125.598 120.400 -0.012 0.000 2.454 45 D HA 0.192 4.832 4.640 -0.000 0.000 0.225 45 D C 0.735 177.034 176.300 -0.001 0.000 1.081 45 D CA -0.378 53.615 54.000 -0.011 0.000 0.864 45 D CB 0.980 41.771 40.800 -0.014 0.000 1.040 45 D HN 0.555 nan 8.370 nan 0.000 0.517 46 L N 2.923 124.148 121.223 0.004 0.000 2.610 46 L HA 0.201 4.541 4.340 -0.000 0.000 0.232 46 L C 1.512 178.387 176.870 0.008 0.000 1.149 46 L CA 0.382 55.228 54.840 0.010 0.000 0.872 46 L CB -0.851 41.218 42.059 0.016 0.000 0.992 46 L HN 0.651 nan 8.230 nan 0.000 0.447 47 G N 0.231 109.033 108.800 0.003 0.000 2.615 47 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 47 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 47 G C -1.063 173.838 174.900 0.001 0.000 1.339 47 G CA -0.624 44.477 45.100 0.002 0.000 0.884 47 G HN 0.173 nan 8.290 nan 0.000 0.559 48 D N 0.147 120.548 120.400 0.002 0.000 2.248 48 D HA 0.583 5.223 4.640 -0.000 0.000 0.246 48 D C 0.617 176.922 176.300 0.008 0.000 1.027 48 D CA -0.533 53.468 54.000 0.002 0.000 0.853 48 D CB 1.302 42.100 40.800 -0.004 0.000 1.243 48 D HN 0.427 nan 8.370 nan 0.000 0.462 49 I N 2.642 123.219 120.570 0.012 0.000 2.556 49 I HA 0.139 4.309 4.170 -0.000 0.000 0.284 49 I C -2.005 174.119 176.117 0.011 0.000 1.114 49 I CA -1.961 59.348 61.300 0.015 0.000 1.418 49 I CB 0.005 38.017 38.000 0.020 0.000 1.394 49 I HN -0.011 nan 8.210 nan 0.000 0.552 50 P HA 0.221 nan 4.420 nan 0.000 0.271 50 P C -0.662 176.643 177.300 0.008 0.000 1.226 50 P CA -0.081 63.024 63.100 0.009 0.000 0.765 50 P CB 0.508 32.214 31.700 0.009 0.000 0.835 51 I N 2.953 123.527 120.570 0.006 0.000 2.378 51 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 51 I C 1.227 177.344 176.117 0.001 0.000 0.992 51 I CA -0.489 60.814 61.300 0.004 0.000 1.154 51 I CB 0.968 38.970 38.000 0.003 0.000 1.315 51 I HN 0.387 nan 8.210 nan 0.000 0.448 52 G N 6.272 115.072 108.800 -0.001 0.000 2.611 52 G HA2 0.283 4.243 3.960 -0.000 0.000 0.273 52 G HA3 0.283 4.243 3.960 -0.000 0.000 0.273 52 G C 0.007 174.902 174.900 -0.007 0.000 1.305 52 G CA -0.431 44.666 45.100 -0.004 0.000 1.010 52 G HN 0.456 nan 8.290 nan 0.000 0.509 53 K N -0.325 120.069 120.400 -0.010 0.000 2.123 53 K HA 0.583 4.903 4.320 -0.000 0.000 0.259 53 K C 0.234 176.822 176.600 -0.019 0.000 0.960 53 K CA -0.574 55.706 56.287 -0.012 0.000 0.872 53 K CB 1.745 34.239 32.500 -0.010 0.000 1.079 53 K HN 0.549 nan 8.250 nan 0.000 0.440 54 A N 2.046 124.852 122.820 -0.023 0.000 2.388 54 A HA 0.175 4.495 4.320 -0.000 0.000 0.257 54 A C 0.313 177.874 177.584 -0.039 0.000 1.095 54 A CA -0.336 51.681 52.037 -0.032 0.000 0.791 54 A CB -0.162 18.817 19.000 -0.034 0.000 1.029 54 A HN 0.744 nan 8.150 nan 0.000 0.489 55 E N 2.626 122.795 120.200 -0.051 0.000 2.349 55 E HA 0.301 4.651 4.350 -0.000 0.000 0.262 55 E C -0.516 176.024 176.600 -0.100 0.000 1.088 55 E CA -0.940 55.418 56.400 -0.070 0.000 0.899 55 E CB 0.540 30.195 29.700 -0.075 0.000 1.044 55 E HN 0.488 nan 8.360 nan 0.000 0.420 56 R N 1.803 122.215 120.500 -0.148 0.000 2.486 56 R HA -0.096 4.244 4.340 -0.000 0.000 0.304 56 R C 1.096 177.244 176.300 -0.255 0.000 0.913 56 R CA 0.306 56.266 56.100 -0.233 0.000 1.124 56 R CB -0.209 29.781 30.300 -0.516 0.000 0.891 56 R HN 0.727 nan 8.270 nan 0.000 0.410 57 L N 3.094 124.250 121.223 -0.111 0.000 2.043 57 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 57 L C 2.498 179.335 176.870 -0.055 0.000 1.075 57 L CA 1.748 56.554 54.840 -0.056 0.000 0.752 57 L CB -0.564 41.501 42.059 0.010 0.000 0.891 57 L HN 0.745 nan 8.230 nan 0.000 0.432 58 H N -0.642 118.424 119.070 -0.007 0.000 2.489 58 H HA -0.112 4.444 4.556 -0.000 0.000 0.293 58 H C 1.326 176.652 175.328 -0.004 0.000 1.066 58 H CA 1.213 57.258 56.048 -0.005 0.000 1.305 58 H CB -0.171 29.589 29.762 -0.003 0.000 1.386 58 H HN 0.530 nan 8.280 nan 0.000 0.551 59 E N 0.786 120.723 120.200 -0.440 0.000 2.400 59 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 59 E C 0.279 176.802 176.600 -0.128 0.000 1.012 59 E CA -0.224 56.019 56.400 -0.262 0.000 0.875 59 E CB 0.424 29.919 29.700 -0.343 0.000 0.859 59 E HN 0.593 nan 8.360 nan 0.000 0.498 60 Q N -0.026 119.704 119.800 -0.116 0.000 2.373 60 Q HA 0.161 4.501 4.340 -0.000 0.000 0.255 60 Q C 0.824 176.801 176.000 -0.039 0.000 0.980 60 Q CA -0.010 55.751 55.803 -0.072 0.000 0.882 60 Q CB 1.024 29.722 28.738 -0.067 0.000 1.249 60 Q HN 0.175 nan 8.270 nan 0.000 0.438 61 G N 1.501 110.282 108.800 -0.032 0.000 3.383 61 G HA2 0.015 3.975 3.960 -0.000 0.000 0.251 61 G HA3 0.015 3.975 3.960 -0.000 0.000 0.251 61 G C -0.308 174.591 174.900 -0.002 0.000 1.203 61 G CA 0.098 45.192 45.100 -0.009 0.000 0.852 61 G HN 0.566 nan 8.290 nan 0.000 0.531 62 D N -0.741 119.651 120.400 -0.013 0.000 2.301 62 D HA -0.014 4.626 4.640 -0.000 0.000 0.187 62 D C 1.211 177.503 176.300 -0.013 0.000 1.264 62 D CA 0.036 54.033 54.000 -0.005 0.000 0.849 62 D CB 0.518 41.318 40.800 -0.001 0.000 1.828 62 D HN 0.022 nan 8.370 nan 0.000 0.526 63 S N 2.856 118.555 115.700 -0.002 0.000 2.481 63 S HA -0.079 4.390 4.470 -0.000 0.000 0.231 63 S C 1.441 176.038 174.600 -0.004 0.000 0.996 63 S CA 0.428 58.626 58.200 -0.003 0.000 0.942 63 S CB -0.001 63.202 63.200 0.005 0.000 0.768 63 S HN 0.492 nan 8.310 nan 0.000 0.520 64 R N 0.418 120.918 120.500 0.001 0.000 2.307 64 R HA 0.319 4.659 4.340 -0.000 0.000 0.199 64 R C -0.139 176.159 176.300 -0.003 0.000 1.000 64 R CA 0.470 56.574 56.100 0.005 0.000 1.023 64 R CB -0.229 30.082 30.300 0.017 0.000 0.908 64 R HN 0.383 nan 8.270 nan 0.000 0.473 65 L N 1.866 123.076 121.223 -0.022 0.000 2.502 65 L HA 0.295 4.635 4.340 -0.000 0.000 0.249 65 L C -0.482 176.355 176.870 -0.056 0.000 1.446 65 L CA -0.563 54.250 54.840 -0.045 0.000 0.887 65 L CB 0.989 42.995 42.059 -0.089 0.000 1.126 65 L HN -0.034 nan 8.230 nan 0.000 0.509 66 R N 1.816 122.292 120.500 -0.040 0.000 2.585 66 R HA 0.054 4.393 4.340 -0.000 0.000 0.275 66 R C 0.296 176.564 176.300 -0.053 0.000 1.018 66 R CA -0.149 55.924 56.100 -0.044 0.000 1.072 66 R CB 0.086 30.361 30.300 -0.042 0.000 0.953 66 R HN 0.488 nan 8.270 nan 0.000 0.419 67 N N 0.843 119.509 118.700 -0.055 0.000 2.693 67 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 67 N C 0.897 176.371 175.510 -0.061 0.000 1.119 67 N CA 0.877 53.894 53.050 -0.054 0.000 0.717 67 N CB -0.867 37.592 38.487 -0.046 0.000 1.071 67 N HN 0.538 nan 8.380 nan 0.000 0.555 68 L N 1.066 122.238 121.223 -0.085 0.000 2.010 68 L HA -0.217 4.123 4.340 -0.000 0.000 0.219 68 L C 2.360 179.176 176.870 -0.090 0.000 1.077 68 L CA 2.310 57.080 54.840 -0.117 0.000 0.773 68 L CB -0.374 41.558 42.059 -0.212 0.000 0.892 68 L HN 0.258 nan 8.230 nan 0.000 0.436 69 K N -0.338 120.016 120.400 -0.077 0.000 2.002 69 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 69 K C 1.945 178.525 176.600 -0.033 0.000 1.048 69 K CA 1.730 57.987 56.287 -0.050 0.000 0.930 69 K CB -0.459 32.015 32.500 -0.044 0.000 0.714 69 K HN 0.475 nan 8.250 nan 0.000 0.438 70 A N 0.787 123.587 122.820 -0.033 0.000 1.930 70 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 70 A C 2.417 179.992 177.584 -0.016 0.000 1.175 70 A CA 1.515 53.538 52.037 -0.022 0.000 0.627 70 A CB -0.491 18.494 19.000 -0.024 0.000 0.815 70 A HN 0.166 nan 8.150 nan 0.000 0.443 71 V N -0.235 119.666 119.914 -0.020 0.000 2.358 71 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 71 V C 3.051 179.144 176.094 -0.002 0.000 1.047 71 V CA 1.841 64.137 62.300 -0.008 0.000 1.035 71 V CB -1.150 30.666 31.823 -0.011 0.000 0.658 71 V HN 0.603 nan 8.190 nan 0.000 0.452 72 A N -0.701 122.112 122.820 -0.012 0.000 1.877 72 A HA -0.263 4.056 4.320 -0.000 0.000 0.216 72 A C 2.258 179.844 177.584 0.004 0.000 1.186 72 A CA 1.975 54.010 52.037 -0.003 0.000 0.620 72 A CB -0.554 18.441 19.000 -0.008 0.000 0.822 72 A HN 0.575 nan 8.150 nan 0.000 0.443 73 E N -0.358 119.842 120.200 0.000 0.000 2.049 73 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 73 E C 2.288 178.894 176.600 0.010 0.000 1.007 73 E CA 1.268 57.671 56.400 0.004 0.000 0.809 73 E CB -0.256 29.444 29.700 -0.001 0.000 0.749 73 E HN 0.554 nan 8.360 nan 0.000 0.450 74 A N 1.280 124.105 122.820 0.009 0.000 1.933 74 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 74 A C 1.900 179.496 177.584 0.021 0.000 1.175 74 A CA 1.468 53.514 52.037 0.014 0.000 0.628 74 A CB -0.529 18.479 19.000 0.013 0.000 0.814 74 A HN 0.245 nan 8.150 nan 0.000 0.444 75 N N -0.249 118.464 118.700 0.022 0.000 2.244 75 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 75 N C 1.569 177.094 175.510 0.026 0.000 1.016 75 N CA 1.104 54.170 53.050 0.028 0.000 0.866 75 N CB -0.222 38.282 38.487 0.027 0.000 0.980 75 N HN 0.452 nan 8.380 nan 0.000 0.430 76 E N 1.392 121.606 120.200 0.022 0.000 2.051 76 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 76 E C 1.820 178.439 176.600 0.032 0.000 0.991 76 E CA 0.882 57.297 56.400 0.026 0.000 0.799 76 E CB -0.066 29.647 29.700 0.022 0.000 0.748 76 E HN 0.404 nan 8.360 nan 0.000 0.449 77 K N 0.460 120.877 120.400 0.028 0.000 2.026 77 K HA -0.160 4.159 4.320 -0.000 0.000 0.208 77 K C 2.252 178.872 176.600 0.034 0.000 1.048 77 K CA 0.916 57.220 56.287 0.029 0.000 0.929 77 K CB -0.338 32.176 32.500 0.023 0.000 0.713 77 K HN 0.007 nan 8.250 nan 0.000 0.439 78 L N 1.371 122.615 121.223 0.035 0.000 2.012 78 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 78 L C 2.243 179.141 176.870 0.047 0.000 1.073 78 L CA 2.001 56.865 54.840 0.039 0.000 0.748 78 L CB -0.842 41.242 42.059 0.041 0.000 0.891 78 L HN 0.160 nan 8.230 nan 0.000 0.431 79 A N -0.448 122.402 122.820 0.050 0.000 1.917 79 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 79 A C 2.471 180.102 177.584 0.079 0.000 1.182 79 A CA 2.297 54.375 52.037 0.067 0.000 0.633 79 A CB -1.300 17.740 19.000 0.068 0.000 0.819 79 A HN 0.631 nan 8.150 nan 0.000 0.448 80 A N -0.277 122.581 122.820 0.065 0.000 1.877 80 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 80 A C 2.547 180.166 177.584 0.059 0.000 1.186 80 A CA 2.288 54.363 52.037 0.063 0.000 0.620 80 A CB -1.120 17.909 19.000 0.048 0.000 0.822 80 A HN 1.123 nan 8.150 nan 0.000 0.443 81 A N -0.568 122.281 122.820 0.049 0.000 1.877 81 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 81 A C 2.244 179.855 177.584 0.045 0.000 1.186 81 A CA 1.909 53.971 52.037 0.042 0.000 0.620 81 A CB -1.047 17.975 19.000 0.037 0.000 0.822 81 A HN 0.428 nan 8.150 nan 0.000 0.443 82 V N 0.729 120.673 119.914 0.050 0.000 2.343 82 V HA -0.254 3.865 4.120 -0.000 0.000 0.247 82 V C 2.439 178.562 176.094 0.049 0.000 1.051 82 V CA 2.389 64.716 62.300 0.044 0.000 1.036 82 V CB -0.834 31.015 31.823 0.043 0.000 0.654 82 V HN 0.677 nan 8.190 nan 0.000 0.451 83 D N -0.186 120.273 120.400 0.097 0.000 2.104 83 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 83 D C 2.248 178.598 176.300 0.083 0.000 0.994 83 D CA 1.882 55.982 54.000 0.166 0.000 0.830 83 D CB -0.291 40.623 40.800 0.190 0.000 0.959 83 D HN 0.500 nan 8.370 nan 0.000 0.452 84 Q N 0.369 120.206 119.800 0.061 0.000 2.045 84 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 84 Q C 2.275 178.281 176.000 0.010 0.000 0.991 84 Q CA 1.864 57.689 55.803 0.037 0.000 0.851 84 Q CB -0.380 28.379 28.738 0.035 0.000 0.911 84 Q HN 0.257 nan 8.270 nan 0.000 0.418 85 V N 0.633 120.551 119.914 0.006 0.000 2.287 85 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 85 V C 2.600 178.671 176.094 -0.039 0.000 1.053 85 V CA 1.692 63.991 62.300 -0.001 0.000 1.027 85 V CB -0.524 31.309 31.823 0.017 0.000 0.646 85 V HN 0.249 nan 8.190 nan 0.000 0.447 86 V N -0.679 119.169 119.914 -0.110 0.000 2.358 86 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 86 V C 2.409 178.360 176.094 -0.239 0.000 1.047 86 V CA 1.991 64.145 62.300 -0.243 0.000 1.035 86 V CB -0.761 30.733 31.823 -0.548 0.000 0.658 86 V HN 0.567 nan 8.190 nan 0.000 0.452 87 Q N -0.273 119.425 119.800 -0.170 0.000 2.135 87 Q HA -0.169 4.170 4.340 -0.000 0.000 0.204 87 Q C 2.274 178.256 176.000 -0.030 0.000 0.981 87 Q CA 1.300 57.070 55.803 -0.055 0.000 0.856 87 Q CB -0.181 28.575 28.738 0.030 0.000 0.902 87 Q HN 0.565 nan 8.270 nan 0.000 0.425 88 R N -0.563 119.924 120.500 -0.022 0.000 2.323 88 R HA 0.021 4.361 4.340 -0.000 0.000 0.198 88 R C 0.822 177.124 176.300 0.003 0.000 0.988 88 R CA 0.597 56.696 56.100 -0.002 0.000 1.041 88 R CB 0.172 30.477 30.300 0.008 0.000 0.926 88 R HN 0.377 nan 8.270 nan 0.000 0.476 89 G N 1.828 110.622 108.800 -0.011 0.000 2.160 89 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 89 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 89 G C -0.115 174.814 174.900 0.048 0.000 1.022 89 G CA 0.088 45.195 45.100 0.011 0.000 0.741 89 G HN 0.302 nan 8.290 nan 0.000 0.508 90 R N -1.257 119.272 120.500 0.050 0.000 2.787 90 R HA 0.667 5.007 4.340 -0.000 0.000 0.271 90 R C -0.527 175.864 176.300 0.152 0.000 0.993 90 R CA -1.028 55.135 56.100 0.104 0.000 0.993 90 R CB 1.192 31.540 30.300 0.080 0.000 1.155 90 R HN 0.160 nan 8.270 nan 0.000 0.486 91 F N 4.357 124.335 119.950 0.046 0.000 2.420 91 F HA 0.322 4.849 4.527 -0.000 0.000 0.352 91 F C -2.081 173.753 175.800 0.057 0.000 1.108 91 F CA -2.707 55.340 58.000 0.079 0.000 1.162 91 F CB 0.958 40.027 39.000 0.114 0.000 1.118 91 F HN 0.266 nan 8.300 nan 0.000 0.510 92 P HA 0.173 nan 4.420 nan 0.000 0.292 92 P C -1.217 176.239 177.300 0.260 0.000 1.326 92 P CA -0.330 62.827 63.100 0.094 0.000 0.787 92 P CB 1.653 33.338 31.700 -0.025 0.000 0.903 93 L N 6.230 127.668 121.223 0.358 0.000 2.301 93 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 93 L C -0.835 176.169 176.870 0.222 0.000 1.022 93 L CA -0.633 54.448 54.840 0.401 0.000 0.854 93 L CB 1.140 43.367 42.059 0.280 0.000 1.226 93 L HN 0.047 nan 8.230 nan 0.000 0.429 94 V N 6.280 126.328 119.914 0.222 0.000 2.439 94 V HA 0.415 4.535 4.120 -0.000 0.000 0.282 94 V C 0.138 176.316 176.094 0.141 0.000 1.039 94 V CA -0.512 61.876 62.300 0.147 0.000 0.913 94 V CB 1.417 33.316 31.823 0.127 0.000 0.983 94 V HN 0.546 nan 8.190 nan 0.000 0.460 95 L N 4.744 126.019 121.223 0.087 0.000 2.313 95 L HA 0.773 5.113 4.340 -0.000 0.000 0.283 95 L C 0.682 177.572 176.870 0.035 0.000 1.013 95 L CA -0.236 54.645 54.840 0.067 0.000 0.816 95 L CB 1.541 43.615 42.059 0.024 0.000 1.236 95 L HN 0.754 nan 8.230 nan 0.000 0.419 96 G N 0.839 109.654 108.800 0.026 0.000 2.601 96 G HA2 0.742 4.702 3.960 -0.000 0.000 0.317 96 G HA3 0.742 4.702 3.960 -0.000 0.000 0.317 96 G C -0.211 174.689 174.900 -0.001 0.000 1.246 96 G CA -0.488 44.615 45.100 0.006 0.000 1.012 96 G HN 0.919 nan 8.290 nan 0.000 0.494 97 G N -0.374 108.427 108.800 0.002 0.000 2.895 97 G HA2 0.302 4.262 3.960 -0.000 0.000 0.686 97 G HA3 0.302 4.262 3.960 -0.000 0.000 0.686 97 G C -0.326 174.588 174.900 0.023 0.000 1.108 97 G CA 0.107 45.215 45.100 0.013 0.000 0.761 97 G HN 1.345 nan 8.290 nan 0.000 0.611 98 D N -0.116 120.315 120.400 0.052 0.000 2.378 98 D HA 0.205 4.845 4.640 -0.000 0.000 0.238 98 D C 1.168 177.560 176.300 0.154 0.000 1.180 98 D CA 0.089 54.155 54.000 0.110 0.000 0.895 98 D CB 0.420 41.298 40.800 0.130 0.000 1.192 98 D HN 0.635 nan 8.370 nan 0.000 0.438 99 H N -0.762 118.376 119.070 0.113 0.000 2.541 99 H HA -0.125 4.431 4.556 -0.000 0.000 0.289 99 H C 1.698 177.105 175.328 0.133 0.000 1.054 99 H CA 0.785 56.886 56.048 0.087 0.000 1.250 99 H CB 0.310 30.119 29.762 0.078 0.000 1.369 99 H HN 0.513 nan 8.280 nan 0.000 0.578 100 S N 0.472 116.337 115.700 0.275 0.000 2.469 100 S HA -0.160 4.310 4.470 -0.000 0.000 0.238 100 S C 2.031 176.728 174.600 0.162 0.000 0.998 100 S CA 0.995 59.310 58.200 0.191 0.000 0.957 100 S CB -0.747 62.534 63.200 0.136 0.000 0.764 100 S HN 0.667 nan 8.310 nan 0.000 0.514 101 I N -0.661 120.006 120.570 0.162 0.000 2.756 101 I HA 0.163 4.332 4.170 -0.000 0.000 0.262 101 I C 2.346 178.551 176.117 0.147 0.000 1.225 101 I CA 0.827 62.201 61.300 0.123 0.000 1.472 101 I CB -0.663 37.391 38.000 0.090 0.000 1.094 101 I HN 0.267 nan 8.210 nan 0.000 0.454 102 A N 2.067 125.026 122.820 0.232 0.000 2.024 102 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 102 A C 2.269 179.962 177.584 0.182 0.000 1.164 102 A CA 1.671 53.863 52.037 0.259 0.000 0.643 102 A CB -0.845 18.403 19.000 0.413 0.000 0.806 102 A HN 0.587 nan 8.150 nan 0.000 0.451 103 I N -0.501 120.155 120.570 0.145 0.000 2.179 103 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 103 I C 2.706 178.848 176.117 0.042 0.000 1.088 103 I CA 1.265 62.612 61.300 0.078 0.000 1.357 103 I CB -0.610 37.424 38.000 0.057 0.000 1.051 103 I HN 0.392 nan 8.210 nan 0.000 0.409 104 G N 0.047 108.878 108.800 0.051 0.000 2.402 104 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 104 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 104 G C 1.652 176.572 174.900 0.033 0.000 1.162 104 G CA 1.241 46.364 45.100 0.038 0.000 0.777 104 G HN 0.280 nan 8.290 nan 0.000 0.539 105 T N 1.539 116.112 114.554 0.031 0.000 2.652 105 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 105 T C 2.408 177.053 174.700 -0.091 0.000 1.039 105 T CA 0.981 63.069 62.100 -0.020 0.000 1.153 105 T CB -0.276 68.585 68.868 -0.012 0.000 0.863 105 T HN 0.118 nan 8.240 nan 0.000 0.428 106 L N 0.626 121.797 121.223 -0.086 0.000 2.131 106 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 106 L C 2.990 179.877 176.870 0.029 0.000 1.092 106 L CA 1.046 55.840 54.840 -0.076 0.000 0.759 106 L CB -0.603 41.462 42.059 0.010 0.000 0.903 106 L HN 0.269 nan 8.230 nan 0.000 0.435 107 A N 0.002 122.834 122.820 0.021 0.000 1.933 107 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 107 A C 2.337 180.055 177.584 0.223 0.000 1.175 107 A CA 1.680 53.743 52.037 0.043 0.000 0.628 107 A CB -1.017 17.959 19.000 -0.040 0.000 0.814 107 A HN 0.442 nan 8.150 nan 0.000 0.444 108 G N -1.298 107.592 108.800 0.151 0.000 2.511 108 G HA2 0.117 4.077 3.960 -0.000 0.000 0.217 108 G HA3 0.117 4.077 3.960 -0.000 0.000 0.217 108 G C 1.331 176.391 174.900 0.266 0.000 1.133 108 G CA 1.113 46.327 45.100 0.189 0.000 0.792 108 G HN 0.304 nan 8.290 nan 0.000 0.539 109 V N 0.982 121.020 119.914 0.207 0.000 2.436 109 V HA 0.121 4.241 4.120 -0.000 0.000 0.240 109 V C 3.186 179.521 176.094 0.401 0.000 1.040 109 V CA 1.393 63.851 62.300 0.264 0.000 1.052 109 V CB -0.555 31.284 31.823 0.026 0.000 0.707 109 V HN 0.378 nan 8.190 nan 0.000 0.469 110 A N 1.800 124.792 122.820 0.287 0.000 1.896 110 A HA -0.359 3.961 4.320 -0.000 0.000 0.220 110 A C 2.170 179.908 177.584 0.256 0.000 1.206 110 A CA 2.933 55.155 52.037 0.309 0.000 0.647 110 A CB -0.786 18.405 19.000 0.318 0.000 0.828 110 A HN 0.757 nan 8.150 nan 0.000 0.455 111 K N -1.273 119.176 120.400 0.082 0.000 2.362 111 K HA -0.218 4.102 4.320 -0.000 0.000 0.202 111 K C 1.242 177.637 176.600 -0.342 0.000 1.045 111 K CA 1.831 57.896 56.287 -0.370 0.000 0.936 111 K CB -0.569 31.522 32.500 -0.683 0.000 0.747 111 K HN 0.728 nan 8.250 nan 0.000 0.467 112 H N -1.099 117.970 119.070 -0.002 0.000 2.539 112 H HA 0.125 4.681 4.556 -0.000 0.000 0.269 112 H C -0.359 174.726 175.328 -0.406 0.000 0.980 112 H CA 0.212 56.150 56.048 -0.184 0.000 1.152 112 H CB 0.085 29.706 29.762 -0.236 0.000 1.407 112 H HN 0.155 nan 8.280 nan 0.000 0.564 113 Y N -0.010 120.332 120.300 0.070 0.000 2.499 113 Y HA 0.158 4.708 4.550 -0.000 0.000 0.347 113 Y C 1.272 177.192 175.900 0.033 0.000 0.987 113 Y CA -1.011 57.122 58.100 0.055 0.000 1.044 113 Y CB 1.601 40.100 38.460 0.066 0.000 1.245 113 Y HN -0.197 nan 8.280 nan 0.000 0.461 114 E N 1.490 121.787 120.200 0.163 0.000 2.046 114 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 114 E C -0.125 176.560 176.600 0.142 0.000 0.982 114 E CA 1.150 57.615 56.400 0.108 0.000 0.800 114 E CB 0.097 29.840 29.700 0.072 0.000 0.756 114 E HN 0.560 nan 8.360 nan 0.000 0.449 115 R N 0.593 121.182 120.500 0.149 0.000 2.734 115 R HA 0.261 4.601 4.340 -0.000 0.000 0.268 115 R C -0.857 175.469 176.300 0.043 0.000 1.785 115 R CA -0.456 55.717 56.100 0.121 0.000 1.461 115 R CB 0.838 31.146 30.300 0.013 0.000 1.308 115 R HN -0.070 nan 8.270 nan 0.000 0.586 116 L N 1.528 122.822 121.223 0.118 0.000 2.367 116 L HA 0.470 4.810 4.340 -0.000 0.000 0.275 116 L C 0.346 177.243 176.870 0.045 0.000 1.129 116 L CA 0.499 55.343 54.840 0.007 0.000 0.839 116 L CB 1.062 43.127 42.059 0.011 0.000 1.133 116 L HN 0.578 nan 8.230 nan 0.000 0.453 117 G N 4.096 112.888 108.800 -0.013 0.000 2.434 117 G HA2 0.630 4.589 3.960 -0.000 0.000 0.330 117 G HA3 0.630 4.589 3.960 -0.000 0.000 0.330 117 G C -1.545 173.432 174.900 0.129 0.000 1.155 117 G CA -0.524 44.621 45.100 0.074 0.000 0.917 117 G HN 0.585 nan 8.290 nan 0.000 0.493 118 V N 1.260 121.292 119.914 0.197 0.000 2.686 118 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 118 V C -0.518 175.716 176.094 0.233 0.000 1.065 118 V CA -0.520 61.925 62.300 0.241 0.000 0.894 118 V CB 1.864 33.888 31.823 0.334 0.000 1.004 118 V HN 0.652 nan 8.190 nan 0.000 0.424 119 I N 3.995 124.672 120.570 0.178 0.000 2.355 119 I HA 0.312 4.482 4.170 -0.000 0.000 0.288 119 I C -0.782 175.471 176.117 0.226 0.000 0.999 119 I CA -0.237 61.170 61.300 0.178 0.000 1.163 119 I CB 1.293 39.347 38.000 0.091 0.000 1.316 119 I HN 0.648 nan 8.210 nan 0.000 0.454 120 W N 8.209 129.551 121.300 0.069 0.000 2.298 120 W HA 0.245 4.905 4.660 -0.000 0.000 0.327 120 W C -1.287 175.294 176.519 0.103 0.000 0.988 120 W CA -0.714 56.678 57.345 0.078 0.000 1.448 120 W CB 1.040 30.531 29.460 0.052 0.000 1.243 120 W HN 0.423 nan 8.180 nan 0.000 0.388 121 Y N 5.889 126.161 120.300 -0.047 0.000 2.504 121 Y HA 0.217 4.767 4.550 -0.000 0.000 0.351 121 Y C -0.156 175.705 175.900 -0.065 0.000 0.988 121 Y CA 1.054 59.118 58.100 -0.060 0.000 1.239 121 Y CB 0.072 38.435 38.460 -0.162 0.000 1.128 121 Y HN 0.303 nan 8.280 nan 0.000 0.525 122 D N 2.438 122.858 120.400 0.033 0.000 2.710 122 D HA 0.337 4.977 4.640 -0.000 0.000 0.276 122 D C -0.426 175.867 176.300 -0.011 0.000 1.267 122 D CA -0.026 54.027 54.000 0.088 0.000 0.772 122 D CB 1.880 42.862 40.800 0.303 0.000 1.299 122 D HN 0.456 nan 8.370 nan 0.000 0.421 123 A N 0.450 123.217 122.820 -0.088 0.000 2.147 123 A HA 0.176 4.496 4.320 -0.000 0.000 0.211 123 A C 0.251 177.604 177.584 -0.385 0.000 1.160 123 A CA 0.909 52.772 52.037 -0.289 0.000 0.781 123 A CB -0.210 18.526 19.000 -0.439 0.000 0.842 123 A HN 0.515 nan 8.150 nan 0.000 0.475 124 H N -3.382 115.733 119.070 0.075 0.000 2.710 124 H HA 0.541 5.097 4.556 -0.000 0.000 0.361 124 H C 1.365 176.737 175.328 0.074 0.000 1.175 124 H CA -0.122 55.957 56.048 0.051 0.000 1.206 124 H CB 1.556 31.336 29.762 0.030 0.000 1.750 124 H HN 0.039 nan 8.280 nan 0.000 0.553 125 G N -0.696 108.158 108.800 0.090 0.000 2.603 125 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 125 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 125 G C -0.243 174.490 174.900 -0.278 0.000 1.140 125 G CA 0.146 45.188 45.100 -0.097 0.000 0.800 125 G HN 0.804 nan 8.290 nan 0.000 0.533 126 D N -0.737 119.572 120.400 -0.150 0.000 2.708 126 D HA -0.160 4.479 4.640 -0.000 0.000 0.236 126 D C 1.252 177.302 176.300 -0.417 0.000 1.146 126 D CA 1.178 55.044 54.000 -0.224 0.000 0.662 126 D CB -1.536 39.223 40.800 -0.069 0.000 1.059 126 D HN 0.588 nan 8.370 nan 0.000 0.428 127 V N -2.978 116.660 119.914 -0.460 0.000 2.940 127 V HA 0.298 4.418 4.120 -0.000 0.000 0.366 127 V C 0.752 176.461 176.094 -0.642 0.000 1.353 127 V CA -0.819 61.044 62.300 -0.728 0.000 1.232 127 V CB 0.521 31.705 31.823 -1.065 0.000 1.278 127 V HN -0.047 nan 8.190 nan 0.000 0.546 128 N N 2.353 120.843 118.700 -0.349 0.000 2.408 128 N HA 0.636 5.376 4.740 -0.000 0.000 0.260 128 N C 0.401 175.820 175.510 -0.152 0.000 1.242 128 N CA 0.747 53.668 53.050 -0.215 0.000 0.959 128 N CB 1.856 40.269 38.487 -0.125 0.000 1.201 128 N HN 0.784 nan 8.380 nan 0.000 0.511 129 T N -4.370 110.145 114.554 -0.065 0.000 2.838 129 T HA 0.616 4.966 4.350 -0.000 0.000 0.292 129 T C 0.918 175.628 174.700 0.015 0.000 1.113 129 T CA -0.436 61.666 62.100 0.002 0.000 1.008 129 T CB 1.040 69.941 68.868 0.055 0.000 1.259 129 T HN 0.300 nan 8.240 nan 0.000 0.520 130 A N 0.194 123.038 122.820 0.041 0.000 1.978 130 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 130 A C 2.014 179.617 177.584 0.031 0.000 1.170 130 A CA 1.997 54.057 52.037 0.038 0.000 0.636 130 A CB -1.118 17.919 19.000 0.062 0.000 0.810 130 A HN 0.883 nan 8.150 nan 0.000 0.448 131 E N -0.712 119.510 120.200 0.036 0.000 2.072 131 E HA -0.085 4.264 4.350 -0.000 0.000 0.190 131 E C 2.267 178.879 176.600 0.019 0.000 0.982 131 E CA 1.830 58.248 56.400 0.030 0.000 0.803 131 E CB -0.317 29.407 29.700 0.039 0.000 0.755 131 E HN 0.801 nan 8.360 nan 0.000 0.453 132 T N -2.785 111.775 114.554 0.011 0.000 3.037 132 T HA 0.121 4.470 4.350 -0.000 0.000 0.251 132 T C 1.176 175.868 174.700 -0.013 0.000 1.079 132 T CA 0.041 62.140 62.100 -0.002 0.000 1.067 132 T CB 0.072 68.933 68.868 -0.011 0.000 0.948 132 T HN -0.003 nan 8.240 nan 0.000 0.496 133 S N 3.697 119.389 115.700 -0.013 0.000 2.525 133 S HA 0.187 4.657 4.470 -0.000 0.000 0.285 133 S C -1.059 173.540 174.600 -0.002 0.000 1.283 133 S CA -1.114 57.078 58.200 -0.013 0.000 1.072 133 S CB 0.780 63.977 63.200 -0.006 0.000 0.867 133 S HN 0.305 nan 8.310 nan 0.000 0.492 134 P HA 0.103 nan 4.420 nan 0.000 0.255 134 P C 0.608 177.915 177.300 0.011 0.000 1.248 134 P CA 0.195 63.297 63.100 0.004 0.000 0.807 134 P CB 0.187 31.889 31.700 0.003 0.000 1.150 135 S N -2.226 113.484 115.700 0.015 0.000 2.670 135 S HA 0.386 4.856 4.470 -0.000 0.000 0.241 135 S C 1.644 176.255 174.600 0.018 0.000 1.077 135 S CA 0.695 58.910 58.200 0.023 0.000 0.899 135 S CB -0.581 62.648 63.200 0.048 0.000 0.835 135 S HN 0.202 nan 8.310 nan 0.000 0.481 136 G N 2.034 110.845 108.800 0.018 0.000 2.159 136 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.256 136 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.256 136 G C -0.379 174.528 174.900 0.012 0.000 0.977 136 G CA -0.005 45.101 45.100 0.010 0.000 0.652 136 G HN 0.505 nan 8.290 nan 0.000 0.531 137 N N 0.394 119.119 118.700 0.043 0.000 2.408 137 N HA 0.428 5.168 4.740 -0.000 0.000 0.257 137 N C 1.701 177.301 175.510 0.150 0.000 1.064 137 N CA -0.385 52.703 53.050 0.062 0.000 0.952 137 N CB 0.928 39.460 38.487 0.075 0.000 1.093 137 N HN 0.219 nan 8.380 nan 0.000 0.490 138 I N 1.359 121.978 120.570 0.081 0.000 2.567 138 I HA -0.275 3.895 4.170 -0.000 0.000 0.257 138 I C 1.919 178.134 176.117 0.163 0.000 1.184 138 I CA 0.966 62.317 61.300 0.085 0.000 1.451 138 I CB -0.340 37.681 38.000 0.035 0.000 1.089 138 I HN 0.668 nan 8.210 nan 0.000 0.441 139 H N -0.502 118.576 119.070 0.013 0.000 2.543 139 H HA 0.019 4.575 4.556 -0.000 0.000 0.286 139 H C 1.907 177.252 175.328 0.030 0.000 1.037 139 H CA 0.691 56.768 56.048 0.048 0.000 1.250 139 H CB -0.261 29.535 29.762 0.055 0.000 1.373 139 H HN 0.279 nan 8.280 nan 0.000 0.580 140 G N 0.086 108.874 108.800 -0.019 0.000 3.337 140 G HA2 0.203 4.162 3.960 -0.000 0.000 0.246 140 G HA3 0.203 4.162 3.960 -0.000 0.000 0.246 140 G C 0.870 175.698 174.900 -0.120 0.000 1.131 140 G CA -0.258 44.735 45.100 -0.179 0.000 0.773 140 G HN 0.422 nan 8.290 nan 0.000 0.544 141 M N 0.300 119.862 119.600 -0.064 0.000 2.279 141 M HA 0.174 4.653 4.480 -0.000 0.000 0.306 141 M C -1.016 175.227 176.300 -0.095 0.000 0.965 141 M CA -0.409 54.833 55.300 -0.097 0.000 1.038 141 M CB 0.908 33.485 32.600 -0.039 0.000 1.636 141 M HN -0.076 nan 8.290 nan 0.000 0.574 142 P HA -0.201 nan 4.420 nan 0.000 0.216 142 P C 1.539 178.778 177.300 -0.101 0.000 1.150 142 P CA 1.272 64.385 63.100 0.021 0.000 0.843 142 P CB 0.110 31.919 31.700 0.181 0.000 0.787 143 L N -0.102 120.870 121.223 -0.420 0.000 2.072 143 L HA 0.027 4.367 4.340 -0.000 0.000 0.205 143 L C 2.593 179.267 176.870 -0.328 0.000 1.079 143 L CA 1.857 56.296 54.840 -0.668 0.000 0.752 143 L CB -1.679 39.586 42.059 -1.324 0.000 0.906 143 L HN -0.083 nan 8.230 nan 0.000 0.436 144 A N -0.349 122.262 122.820 -0.349 0.000 1.858 144 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 144 A C 2.468 180.099 177.584 0.079 0.000 1.190 144 A CA 1.953 53.866 52.037 -0.207 0.000 0.617 144 A CB -1.269 17.491 19.000 -0.401 0.000 0.827 144 A HN 0.540 nan 8.150 nan 0.000 0.443 145 A N -0.542 122.279 122.820 0.002 0.000 1.908 145 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 145 A C 2.412 180.003 177.584 0.012 0.000 1.181 145 A CA 2.206 54.259 52.037 0.026 0.000 0.627 145 A CB -0.920 18.086 19.000 0.011 0.000 0.818 145 A HN 0.467 nan 8.150 nan 0.000 0.445 146 S N -0.451 115.254 115.700 0.008 0.000 2.423 146 S HA 0.012 4.481 4.470 -0.000 0.000 0.231 146 S C 1.473 176.096 174.600 0.039 0.000 1.014 146 S CA 0.994 59.201 58.200 0.012 0.000 0.965 146 S CB -0.301 62.925 63.200 0.044 0.000 0.785 146 S HN 0.504 nan 8.310 nan 0.000 0.495 147 L N 0.597 121.889 121.223 0.116 0.000 2.599 147 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 147 L C 1.564 178.475 176.870 0.069 0.000 1.141 147 L CA 0.367 55.338 54.840 0.218 0.000 0.877 147 L CB -0.315 42.022 42.059 0.464 0.000 1.009 147 L HN 0.501 nan 8.230 nan 0.000 0.447 148 G N -0.279 108.479 108.800 -0.070 0.000 2.131 148 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.223 148 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.223 148 G C -0.107 174.451 174.900 -0.571 0.000 0.990 148 G CA -0.528 44.368 45.100 -0.340 0.000 0.671 148 G HN 0.194 nan 8.290 nan 0.000 0.521 149 F N 0.738 120.728 119.950 0.066 0.000 2.382 149 F HA 0.659 5.185 4.527 -0.000 0.000 0.361 149 F C 0.902 176.732 175.800 0.050 0.000 1.109 149 F CA 0.317 58.374 58.000 0.095 0.000 1.031 149 F CB 1.781 40.938 39.000 0.262 0.000 1.234 149 F HN 0.629 nan 8.300 nan 0.000 0.445 150 G N 1.198 110.085 108.800 0.146 0.000 2.339 150 G HA2 0.010 3.970 3.960 -0.000 0.000 0.275 150 G HA3 0.010 3.970 3.960 -0.000 0.000 0.275 150 G C -1.755 173.192 174.900 0.078 0.000 1.323 150 G CA -1.199 43.968 45.100 0.112 0.000 0.927 150 G HN 0.613 nan 8.290 nan 0.000 0.486 151 H N 2.804 121.881 119.070 0.010 0.000 2.964 151 H HA 0.189 4.744 4.556 -0.000 0.000 0.328 151 H C -0.875 174.443 175.328 -0.016 0.000 1.030 151 H CA -0.211 55.836 56.048 -0.001 0.000 1.445 151 H CB 1.756 31.518 29.762 -0.000 0.000 1.449 151 H HN 0.205 nan 8.280 nan 0.000 0.581 152 P HA -0.189 nan 4.420 nan 0.000 0.217 152 P C 1.113 178.455 177.300 0.070 0.000 1.148 152 P CA 1.673 64.723 63.100 -0.083 0.000 0.828 152 P CB 0.019 31.615 31.700 -0.174 0.000 0.783 153 A N -0.442 122.585 122.820 0.345 0.000 2.024 153 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 153 A C 2.334 179.987 177.584 0.116 0.000 1.164 153 A CA 1.360 53.548 52.037 0.251 0.000 0.643 153 A CB -1.261 17.884 19.000 0.241 0.000 0.806 153 A HN 0.210 nan 8.150 nan 0.000 0.451 154 L N -1.387 119.911 121.223 0.125 0.000 2.388 154 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 154 L C 2.737 179.609 176.870 0.003 0.000 1.061 154 L CA 1.243 56.112 54.840 0.048 0.000 0.834 154 L CB -0.594 41.498 42.059 0.054 0.000 1.029 154 L HN 0.507 nan 8.230 nan 0.000 0.473 155 T N -3.391 111.159 114.554 -0.005 0.000 2.995 155 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 155 T C 1.556 176.192 174.700 -0.107 0.000 1.091 155 T CA 0.615 62.677 62.100 -0.064 0.000 1.128 155 T CB -0.036 68.784 68.868 -0.080 0.000 0.891 155 T HN 0.154 nan 8.240 nan 0.000 0.492 156 Q N 0.494 120.249 119.800 -0.075 0.000 2.280 156 Q HA 0.346 4.686 4.340 -0.000 0.000 0.201 156 Q C 0.448 176.395 176.000 -0.089 0.000 0.890 156 Q CA -0.220 55.531 55.803 -0.086 0.000 0.947 156 Q CB 0.124 28.837 28.738 -0.042 0.000 1.081 156 Q HN 0.523 nan 8.270 nan 0.000 0.502 157 I N 1.121 121.636 120.570 -0.092 0.000 2.752 157 I HA -0.062 4.108 4.170 -0.000 0.000 0.289 157 I C 1.445 177.497 176.117 -0.108 0.000 1.197 157 I CA 1.511 62.770 61.300 -0.067 0.000 1.432 157 I CB -0.187 37.783 38.000 -0.051 0.000 1.359 157 I HN 0.480 nan 8.210 nan 0.000 0.571 158 G N 4.698 113.495 108.800 -0.005 0.000 2.176 158 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.253 158 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.253 158 G C 1.000 176.019 174.900 0.198 0.000 0.979 158 G CA 0.271 45.431 45.100 0.100 0.000 0.641 158 G HN 1.690 nan 8.290 nan 0.000 0.530 159 G N -1.664 107.188 108.800 0.087 0.000 2.147 159 G HA2 0.142 4.102 3.960 -0.000 0.000 0.244 159 G HA3 0.142 4.102 3.960 -0.000 0.000 0.244 159 G C 0.211 175.231 174.900 0.199 0.000 1.005 159 G CA 1.453 46.623 45.100 0.117 0.000 0.713 159 G HN 2.487 nan 8.290 nan 0.000 0.515 160 Y N -2.117 118.175 120.300 -0.013 0.000 2.656 160 Y HA 0.782 5.332 4.550 -0.000 0.000 0.334 160 Y C -0.350 175.539 175.900 -0.019 0.000 1.179 160 Y CA -1.234 56.855 58.100 -0.019 0.000 1.050 160 Y CB 0.945 39.393 38.460 -0.020 0.000 1.308 160 Y HN 1.103 nan 8.280 nan 0.000 0.456 161 S N 0.712 116.420 115.700 0.014 0.000 2.558 161 S HA 0.724 5.193 4.470 -0.000 0.000 0.277 161 S C -3.275 171.327 174.600 0.003 0.000 1.143 161 S CA -1.032 57.117 58.200 -0.085 0.000 0.865 161 S CB 1.350 64.472 63.200 -0.130 0.000 1.102 161 S HN 0.902 nan 8.310 nan 0.000 0.454 162 P HA 0.611 nan 4.420 nan 0.000 0.281 162 P C -0.125 177.199 177.300 0.040 0.000 1.281 162 P CA -0.568 62.510 63.100 -0.038 0.000 0.811 162 P CB 1.007 32.688 31.700 -0.032 0.000 1.154 163 K N -0.298 120.112 120.400 0.018 0.000 2.098 163 K HA 0.151 4.471 4.320 -0.000 0.000 0.203 163 K C 1.010 177.710 176.600 0.167 0.000 1.051 163 K CA 1.010 57.369 56.287 0.119 0.000 0.957 163 K CB -0.260 32.266 32.500 0.043 0.000 0.738 163 K HN 0.522 nan 8.250 nan 0.000 0.447 164 I N -2.463 118.187 120.570 0.132 0.000 3.174 164 I HA 0.454 4.624 4.170 -0.000 0.000 0.313 164 I C -1.489 174.703 176.117 0.124 0.000 1.155 164 I CA -1.048 60.348 61.300 0.159 0.000 0.977 164 I CB 1.918 40.026 38.000 0.180 0.000 1.248 164 I HN -0.155 nan 8.210 nan 0.000 0.453 165 K N 2.619 123.081 120.400 0.104 0.000 2.138 165 K HA 0.495 4.815 4.320 -0.000 0.000 0.263 165 K C -2.104 174.498 176.600 0.002 0.000 0.965 165 K CA -1.389 54.893 56.287 -0.009 0.000 0.868 165 K CB 1.548 33.923 32.500 -0.208 0.000 1.083 165 K HN 0.300 nan 8.250 nan 0.000 0.443 166 P HA -0.268 nan 4.420 nan 0.000 0.216 166 P C 0.709 178.033 177.300 0.040 0.000 1.150 166 P CA 1.265 64.385 63.100 0.032 0.000 0.843 166 P CB 0.183 31.874 31.700 -0.014 0.000 0.787 167 E N -0.826 119.358 120.200 -0.028 0.000 2.516 167 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 167 E C 0.528 177.282 176.600 0.257 0.000 1.069 167 E CA 1.088 57.528 56.400 0.066 0.000 0.876 167 E CB -1.078 28.596 29.700 -0.043 0.000 0.843 167 E HN 0.523 nan 8.360 nan 0.000 0.530 168 H N -0.169 119.008 119.070 0.179 0.000 2.592 168 H HA 0.321 4.877 4.556 -0.000 0.000 0.279 168 H C -0.432 175.025 175.328 0.216 0.000 1.089 168 H CA -0.580 55.580 56.048 0.186 0.000 1.150 168 H CB 1.197 31.025 29.762 0.110 0.000 1.575 168 H HN -0.087 nan 8.280 nan 0.000 0.547 169 V N 1.858 121.956 119.914 0.307 0.000 2.581 169 V HA 0.284 4.404 4.120 -0.000 0.000 0.303 169 V C -0.237 175.961 176.094 0.174 0.000 1.041 169 V CA -0.801 61.631 62.300 0.220 0.000 0.907 169 V CB 2.445 34.346 31.823 0.132 0.000 0.994 169 V HN -0.056 nan 8.190 nan 0.000 0.442 170 V N 5.765 125.784 119.914 0.176 0.000 2.482 170 V HA 0.448 4.568 4.120 -0.000 0.000 0.295 170 V C -0.417 175.784 176.094 0.178 0.000 1.026 170 V CA -0.437 61.943 62.300 0.133 0.000 0.856 170 V CB 1.726 33.645 31.823 0.159 0.000 1.001 170 V HN 0.643 nan 8.190 nan 0.000 0.424 171 L N 5.978 127.282 121.223 0.135 0.000 2.292 171 L HA 0.613 4.953 4.340 -0.000 0.000 0.284 171 L C -0.583 176.384 176.870 0.162 0.000 1.065 171 L CA -0.156 54.778 54.840 0.157 0.000 0.806 171 L CB 1.299 43.399 42.059 0.069 0.000 1.175 171 L HN 0.490 nan 8.230 nan 0.000 0.431 172 I N 2.289 122.925 120.570 0.110 0.000 2.499 172 I HA 0.418 4.588 4.170 -0.000 0.000 0.288 172 I C 0.664 176.657 176.117 -0.206 0.000 1.048 172 I CA -0.357 60.934 61.300 -0.015 0.000 1.062 172 I CB 1.923 39.874 38.000 -0.081 0.000 1.238 172 I HN 0.793 nan 8.210 nan 0.000 0.426 173 G N 4.104 112.800 108.800 -0.173 0.000 2.157 173 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.239 173 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.239 173 G C 0.073 174.898 174.900 -0.125 0.000 0.982 173 G CA -0.345 44.622 45.100 -0.221 0.000 0.650 173 G HN 0.437 nan 8.290 nan 0.000 0.527 174 V N 1.334 121.212 119.914 -0.061 0.000 2.673 174 V HA 0.411 4.531 4.120 -0.000 0.000 0.303 174 V C 1.452 177.511 176.094 -0.057 0.000 1.046 174 V CA 1.390 63.660 62.300 -0.049 0.000 1.126 174 V CB 1.015 32.830 31.823 -0.013 0.000 0.934 174 V HN 0.726 nan 8.190 nan 0.000 0.487 175 R N 1.598 122.046 120.500 -0.087 0.000 2.468 175 R HA 0.284 4.624 4.340 -0.000 0.000 0.352 175 R C 0.042 176.300 176.300 -0.070 0.000 0.858 175 R CA -0.107 55.952 56.100 -0.068 0.000 1.108 175 R CB 0.399 30.659 30.300 -0.068 0.000 1.741 175 R HN 0.499 nan 8.270 nan 0.000 0.504 176 S N 1.528 117.179 115.700 -0.081 0.000 2.423 176 S HA 0.469 4.939 4.470 -0.000 0.000 0.213 176 S C -1.205 173.425 174.600 0.049 0.000 1.131 176 S CA -0.569 57.620 58.200 -0.018 0.000 1.155 176 S CB 0.428 63.611 63.200 -0.027 0.000 1.202 176 S HN 0.273 nan 8.310 nan 0.000 0.441 177 L N 3.316 124.553 121.223 0.023 0.000 2.346 177 L HA 0.603 4.943 4.340 -0.000 0.000 0.276 177 L C -0.248 176.626 176.870 0.007 0.000 1.006 177 L CA -1.026 53.823 54.840 0.014 0.000 0.817 177 L CB 1.608 43.661 42.059 -0.011 0.000 1.272 177 L HN 0.479 nan 8.230 nan 0.000 0.421 178 D N 1.779 122.177 120.400 -0.003 0.000 2.344 178 D HA 0.017 4.656 4.640 -0.000 0.000 0.244 178 D C 0.862 177.154 176.300 -0.013 0.000 1.134 178 D CA -0.315 53.680 54.000 -0.008 0.000 0.930 178 D CB 1.427 42.215 40.800 -0.019 0.000 1.175 178 D HN 0.469 nan 8.370 nan 0.000 0.437 179 E N 1.429 121.623 120.200 -0.010 0.000 2.070 179 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 179 E C 1.998 178.593 176.600 -0.008 0.000 1.004 179 E CA 1.208 57.602 56.400 -0.010 0.000 0.805 179 E CB -0.491 29.204 29.700 -0.008 0.000 0.744 179 E HN 0.715 nan 8.360 nan 0.000 0.451 180 G N 1.004 109.799 108.800 -0.008 0.000 2.422 180 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.218 180 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.218 180 G C 1.443 176.349 174.900 0.012 0.000 1.146 180 G CA 0.811 45.912 45.100 0.002 0.000 0.769 180 G HN 0.317 nan 8.290 nan 0.000 0.547 181 E N 0.364 120.549 120.200 -0.024 0.000 2.106 181 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 181 E C 2.493 179.100 176.600 0.011 0.000 0.984 181 E CA 0.759 57.132 56.400 -0.046 0.000 0.806 181 E CB -0.064 29.579 29.700 -0.096 0.000 0.750 181 E HN 0.389 nan 8.360 nan 0.000 0.458 182 K N 1.108 121.506 120.400 -0.002 0.000 2.057 182 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 182 K C 2.200 178.800 176.600 0.000 0.000 1.049 182 K CA 1.027 57.310 56.287 -0.007 0.000 0.931 182 K CB -0.080 32.409 32.500 -0.019 0.000 0.714 182 K HN -0.041 nan 8.250 nan 0.000 0.440 183 K N 0.659 121.063 120.400 0.007 0.000 2.026 183 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 183 K C 2.061 178.656 176.600 -0.009 0.000 1.048 183 K CA 1.261 57.542 56.287 -0.010 0.000 0.929 183 K CB -0.206 32.289 32.500 -0.008 0.000 0.713 183 K HN 0.005 nan 8.250 nan 0.000 0.439 184 F N 1.859 121.724 119.950 -0.141 0.000 2.069 184 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 184 F C 1.887 177.569 175.800 -0.196 0.000 1.113 184 F CA 1.687 59.567 58.000 -0.200 0.000 1.214 184 F CB -0.238 38.634 39.000 -0.214 0.000 0.978 184 F HN -0.004 nan 8.300 nan 0.000 0.474 185 I N -0.220 120.467 120.570 0.195 0.000 2.179 185 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 185 I C 2.710 178.790 176.117 -0.060 0.000 1.088 185 I CA 1.426 62.769 61.300 0.072 0.000 1.357 185 I CB -0.526 37.493 38.000 0.031 0.000 1.051 185 I HN 0.093 nan 8.210 nan 0.000 0.409 186 R N 0.706 121.167 120.500 -0.065 0.000 2.080 186 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 186 R C 2.249 178.474 176.300 -0.124 0.000 1.137 186 R CA 1.947 57.995 56.100 -0.087 0.000 0.943 186 R CB -0.179 30.078 30.300 -0.071 0.000 0.846 186 R HN 0.437 nan 8.270 nan 0.000 0.431 187 E N -0.107 119.992 120.200 -0.168 0.000 2.106 187 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 187 E C 1.711 178.146 176.600 -0.275 0.000 0.984 187 E CA 0.758 57.032 56.400 -0.210 0.000 0.806 187 E CB 0.150 29.710 29.700 -0.235 0.000 0.750 187 E HN 0.108 nan 8.360 nan 0.000 0.458 188 K N -0.156 120.003 120.400 -0.402 0.000 2.486 188 K HA 0.022 4.342 4.320 -0.000 0.000 0.194 188 K C 1.029 177.503 176.600 -0.210 0.000 1.033 188 K CA 0.738 56.777 56.287 -0.414 0.000 1.004 188 K CB 0.160 32.239 32.500 -0.702 0.000 0.798 188 K HN 0.276 nan 8.250 nan 0.000 0.495 189 G N 2.380 111.086 108.800 -0.157 0.000 2.273 189 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 189 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 189 G C 0.012 174.873 174.900 -0.065 0.000 1.047 189 G CA -0.001 45.042 45.100 -0.094 0.000 0.869 189 G HN 0.298 nan 8.290 nan 0.000 0.502 190 I N -0.034 120.496 120.570 -0.067 0.000 2.441 190 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 190 I C 1.021 177.087 176.117 -0.084 0.000 1.049 190 I CA -0.431 60.846 61.300 -0.038 0.000 1.381 190 I CB 1.123 39.118 38.000 -0.007 0.000 1.409 190 I HN 0.090 nan 8.210 nan 0.000 0.523 191 K N 7.245 127.576 120.400 -0.114 0.000 2.416 191 K HA 0.391 4.711 4.320 -0.000 0.000 0.283 191 K C -0.847 175.633 176.600 -0.200 0.000 1.037 191 K CA -0.009 56.132 56.287 -0.244 0.000 0.995 191 K CB 0.619 32.863 32.500 -0.426 0.000 0.938 191 K HN 0.566 nan 8.250 nan 0.000 0.475 192 I N 4.190 124.585 120.570 -0.291 0.000 2.656 192 I HA 0.265 4.434 4.170 -0.000 0.000 0.292 192 I C -1.821 174.090 176.117 -0.344 0.000 1.144 192 I CA -0.958 60.222 61.300 -0.200 0.000 1.038 192 I CB 1.276 39.210 38.000 -0.111 0.000 1.244 192 I HN 0.637 nan 8.210 nan 0.000 0.420 193 Y N 5.789 126.060 120.300 -0.048 0.000 2.555 193 Y HA 0.317 4.867 4.550 -0.000 0.000 0.326 193 Y C 0.793 176.665 175.900 -0.046 0.000 0.984 193 Y CA -0.539 57.534 58.100 -0.044 0.000 1.298 193 Y CB 1.578 40.004 38.460 -0.056 0.000 1.094 193 Y HN 0.592 nan 8.280 nan 0.000 0.500 194 T N -1.237 113.366 114.554 0.082 0.000 2.732 194 T HA 0.094 4.444 4.350 -0.000 0.000 0.287 194 T C 1.502 176.236 174.700 0.057 0.000 0.993 194 T CA -0.777 61.351 62.100 0.047 0.000 0.966 194 T CB 0.696 69.586 68.868 0.036 0.000 1.047 194 T HN 0.473 nan 8.240 nan 0.000 0.527 195 M N 0.076 119.691 119.600 0.025 0.000 2.267 195 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 195 M C 2.048 178.372 176.300 0.040 0.000 1.063 195 M CA 1.697 57.004 55.300 0.011 0.000 1.090 195 M CB -1.961 30.637 32.600 -0.004 0.000 1.392 195 M HN 0.978 nan 8.290 nan 0.000 0.422 196 H N 0.459 119.526 119.070 -0.005 0.000 2.353 196 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 196 H C 1.753 177.092 175.328 0.017 0.000 1.090 196 H CA 2.326 58.374 56.048 0.000 0.000 1.327 196 H CB 0.183 29.941 29.762 -0.006 0.000 1.383 196 H HN 0.297 nan 8.280 nan 0.000 0.508 197 E N -0.423 119.802 120.200 0.042 0.000 2.107 197 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 197 E C 2.473 179.075 176.600 0.003 0.000 0.982 197 E CA 1.035 57.460 56.400 0.042 0.000 0.809 197 E CB -0.095 29.751 29.700 0.243 0.000 0.756 197 E HN 0.310 nan 8.360 nan 0.000 0.459 198 V N 1.539 121.453 119.914 0.000 0.000 2.343 198 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 198 V C 1.574 177.629 176.094 -0.065 0.000 1.051 198 V CA 1.973 64.246 62.300 -0.044 0.000 1.036 198 V CB -0.438 31.352 31.823 -0.055 0.000 0.654 198 V HN 0.233 nan 8.190 nan 0.000 0.451 199 D N -0.372 119.979 120.400 -0.082 0.000 2.117 199 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 199 D C 2.341 178.568 176.300 -0.121 0.000 0.982 199 D CA 1.324 55.269 54.000 -0.091 0.000 0.828 199 D CB -0.182 40.564 40.800 -0.090 0.000 0.967 199 D HN 0.314 nan 8.370 nan 0.000 0.464 200 R N 0.061 120.440 120.500 -0.202 0.000 2.073 200 R HA 0.032 4.372 4.340 -0.000 0.000 0.229 200 R C 2.223 178.466 176.300 -0.096 0.000 1.120 200 R CA 0.715 56.700 56.100 -0.192 0.000 0.967 200 R CB 0.040 30.134 30.300 -0.343 0.000 0.862 200 R HN 0.165 nan 8.270 nan 0.000 0.436 201 L N -1.016 120.165 121.223 -0.068 0.000 2.408 201 L HA 0.327 4.667 4.340 -0.000 0.000 0.215 201 L C 0.737 177.581 176.870 -0.043 0.000 1.081 201 L CA 0.257 55.076 54.840 -0.035 0.000 0.840 201 L CB 0.228 42.286 42.059 -0.002 0.000 1.002 201 L HN 0.423 nan 8.230 nan 0.000 0.468 202 G N 0.108 108.875 108.800 -0.054 0.000 2.712 202 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.686 202 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.686 202 G C -0.087 174.771 174.900 -0.070 0.000 1.181 202 G CA -0.088 44.981 45.100 -0.051 0.000 0.762 202 G HN -0.018 nan 8.290 nan 0.000 0.641 203 M N 1.188 120.752 119.600 -0.061 0.000 2.213 203 M HA 0.012 4.492 4.480 -0.000 0.000 0.263 203 M C 2.563 178.816 176.300 -0.079 0.000 1.062 203 M CA 3.228 58.483 55.300 -0.074 0.000 1.105 203 M CB -0.844 31.734 32.600 -0.038 0.000 1.385 203 M HN 0.773 nan 8.290 nan 0.000 0.417 204 T N -0.085 114.436 114.554 -0.055 0.000 2.708 204 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 204 T C 1.924 176.586 174.700 -0.064 0.000 1.037 204 T CA 1.806 63.877 62.100 -0.048 0.000 1.146 204 T CB -0.346 68.504 68.868 -0.030 0.000 0.865 204 T HN 0.455 nan 8.240 nan 0.000 0.435 205 R N 0.519 120.979 120.500 -0.066 0.000 2.081 205 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 205 R C 2.390 178.608 176.300 -0.137 0.000 1.131 205 R CA 1.090 57.151 56.100 -0.066 0.000 0.960 205 R CB -0.525 29.752 30.300 -0.037 0.000 0.856 205 R HN 0.229 nan 8.270 nan 0.000 0.436 206 V N 1.091 120.861 119.914 -0.240 0.000 2.287 206 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 206 V C 2.462 178.292 176.094 -0.440 0.000 1.053 206 V CA 1.679 63.643 62.300 -0.560 0.000 1.027 206 V CB -0.355 31.114 31.823 -0.591 0.000 0.646 206 V HN 0.373 nan 8.190 nan 0.000 0.447 207 M N -0.728 118.736 119.600 -0.226 0.000 2.175 207 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 207 M C 2.130 178.387 176.300 -0.071 0.000 1.063 207 M CA 1.424 56.650 55.300 -0.123 0.000 1.119 207 M CB -1.184 31.377 32.600 -0.066 0.000 1.377 207 M HN 0.456 nan 8.290 nan 0.000 0.415 208 E N 0.163 120.326 120.200 -0.061 0.000 2.051 208 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 208 E C 1.966 178.573 176.600 0.012 0.000 0.991 208 E CA 1.178 57.569 56.400 -0.016 0.000 0.799 208 E CB -0.082 29.611 29.700 -0.011 0.000 0.748 208 E HN 0.583 nan 8.360 nan 0.000 0.449 209 E N 0.130 120.330 120.200 0.001 0.000 2.077 209 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 209 E C 2.186 178.864 176.600 0.130 0.000 0.989 209 E CA 1.387 57.834 56.400 0.079 0.000 0.800 209 E CB -0.090 29.683 29.700 0.121 0.000 0.746 209 E HN 0.162 nan 8.360 nan 0.000 0.452 210 T N 1.420 116.007 114.554 0.056 0.000 2.708 210 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 210 T C 1.996 176.789 174.700 0.155 0.000 1.037 210 T CA 0.972 63.143 62.100 0.118 0.000 1.146 210 T CB -0.181 68.702 68.868 0.024 0.000 0.865 210 T HN 0.098 nan 8.240 nan 0.000 0.435 211 I N 1.178 121.800 120.570 0.087 0.000 2.252 211 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 211 I C 2.867 179.041 176.117 0.095 0.000 1.102 211 I CA 1.054 62.401 61.300 0.078 0.000 1.385 211 I CB -0.428 37.596 38.000 0.040 0.000 1.064 211 I HN 0.184 nan 8.210 nan 0.000 0.414 212 A N 0.109 122.992 122.820 0.105 0.000 1.902 212 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 212 A C 2.299 179.964 177.584 0.134 0.000 1.181 212 A CA 1.493 53.590 52.037 0.101 0.000 0.623 212 A CB -1.040 18.017 19.000 0.096 0.000 0.818 212 A HN 0.510 nan 8.150 nan 0.000 0.443 213 Y N 0.517 120.852 120.300 0.060 0.000 2.097 213 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 213 Y C 1.989 177.925 175.900 0.060 0.000 1.152 213 Y CA 2.119 60.262 58.100 0.072 0.000 1.136 213 Y CB -0.246 38.276 38.460 0.103 0.000 0.975 213 Y HN 0.217 nan 8.280 nan 0.000 0.498 214 L N 0.113 121.438 121.223 0.170 0.000 2.072 214 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 214 L C 2.565 179.411 176.870 -0.041 0.000 1.079 214 L CA 1.545 56.410 54.840 0.042 0.000 0.752 214 L CB -0.602 41.535 42.059 0.131 0.000 0.906 214 L HN 0.114 nan 8.230 nan 0.000 0.436 215 K N 0.679 121.082 120.400 0.005 0.000 2.211 215 K HA -0.252 4.068 4.320 -0.000 0.000 0.204 215 K C 1.858 178.438 176.600 -0.033 0.000 1.047 215 K CA 1.481 57.765 56.287 -0.005 0.000 0.935 215 K CB 0.061 32.572 32.500 0.019 0.000 0.728 215 K HN 0.274 nan 8.250 nan 0.000 0.452 216 E N 0.385 120.551 120.200 -0.056 0.000 2.481 216 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 216 E C 0.808 177.342 176.600 -0.110 0.000 1.047 216 E CA 0.336 56.693 56.400 -0.072 0.000 0.867 216 E CB 0.280 29.936 29.700 -0.074 0.000 0.858 216 E HN 0.334 nan 8.360 nan 0.000 0.513 217 R N -0.783 119.622 120.500 -0.159 0.000 2.452 217 R HA 0.095 4.434 4.340 -0.000 0.000 0.345 217 R C -0.481 175.632 176.300 -0.313 0.000 0.798 217 R CA 0.081 56.072 56.100 -0.182 0.000 1.050 217 R CB 0.039 30.236 30.300 -0.172 0.000 1.726 217 R HN 0.021 nan 8.270 nan 0.000 0.510 218 T N -1.510 112.892 114.554 -0.252 0.000 2.901 218 T HA 0.326 4.676 4.350 -0.000 0.000 0.293 218 T C -0.170 174.483 174.700 -0.078 0.000 1.084 218 T CA -0.439 61.506 62.100 -0.258 0.000 1.008 218 T CB 2.115 70.821 68.868 -0.270 0.000 1.170 218 T HN 0.112 nan 8.240 nan 0.000 0.509 219 D N -0.990 119.411 120.400 0.003 0.000 2.440 219 D HA 0.367 5.006 4.640 -0.000 0.000 0.216 219 D C 0.639 177.062 176.300 0.205 0.000 1.150 219 D CA -0.278 53.789 54.000 0.113 0.000 0.832 219 D CB 0.158 41.050 40.800 0.152 0.000 0.992 219 D HN 1.044 nan 8.370 nan 0.000 0.502 220 G N -0.776 108.031 108.800 0.012 0.000 2.556 220 G HA2 0.460 4.420 3.960 -0.000 0.000 0.294 220 G HA3 0.460 4.420 3.960 -0.000 0.000 0.294 220 G C -1.986 172.772 174.900 -0.236 0.000 1.516 220 G CA -0.654 44.320 45.100 -0.210 0.000 0.824 220 G HN 0.043 nan 8.290 nan 0.000 0.535 221 V N 1.270 121.086 119.914 -0.163 0.000 2.577 221 V HA 0.510 4.630 4.120 -0.000 0.000 0.303 221 V C -0.724 175.351 176.094 -0.033 0.000 1.042 221 V CA -0.871 61.389 62.300 -0.066 0.000 0.872 221 V CB 1.702 33.522 31.823 -0.005 0.000 0.998 221 V HN 1.018 nan 8.190 nan 0.000 0.423 222 H N 4.513 123.530 119.070 -0.089 0.000 2.488 222 H HA 0.652 5.208 4.556 -0.000 0.000 0.322 222 H C -0.881 174.438 175.328 -0.015 0.000 1.078 222 H CA -0.597 55.409 56.048 -0.069 0.000 1.260 222 H CB 1.552 31.287 29.762 -0.046 0.000 1.425 222 H HN 0.582 nan 8.280 nan 0.000 0.471 223 L N 4.615 125.505 121.223 -0.556 0.000 2.255 223 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 223 L C -0.487 175.903 176.870 -0.799 0.000 1.046 223 L CA 0.164 54.702 54.840 -0.502 0.000 0.816 223 L CB 1.054 42.916 42.059 -0.328 0.000 1.197 223 L HN 0.610 nan 8.230 nan 0.000 0.427 224 S N 6.222 121.550 115.700 -0.621 0.000 2.512 224 S HA 0.439 4.909 4.470 -0.000 0.000 0.291 224 S C -0.632 173.594 174.600 -0.623 0.000 1.151 224 S CA -0.594 57.240 58.200 -0.610 0.000 1.120 224 S CB -0.118 62.736 63.200 -0.578 0.000 1.029 224 S HN 0.674 nan 8.310 nan 0.000 0.485 225 L N 4.747 125.530 121.223 -0.733 0.000 2.257 225 L HA 0.509 4.848 4.340 -0.000 0.000 0.290 225 L C -0.555 175.970 176.870 -0.575 0.000 1.044 225 L CA -0.458 53.969 54.840 -0.687 0.000 0.810 225 L CB 0.834 42.260 42.059 -1.053 0.000 1.193 225 L HN 0.475 nan 8.230 nan 0.000 0.425 226 D N 4.681 124.864 120.400 -0.361 0.000 2.274 226 D HA 0.092 4.731 4.640 -0.000 0.000 0.239 226 D C 1.064 177.323 176.300 -0.069 0.000 1.104 226 D CA -0.455 53.383 54.000 -0.270 0.000 0.840 226 D CB 1.402 42.132 40.800 -0.117 0.000 1.100 226 D HN 0.413 nan 8.370 nan 0.000 0.477 227 L N 3.398 124.594 121.223 -0.045 0.000 2.187 227 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 227 L C 1.552 178.461 176.870 0.065 0.000 1.100 227 L CA 1.473 56.335 54.840 0.037 0.000 0.765 227 L CB -1.084 41.006 42.059 0.051 0.000 0.904 227 L HN 0.605 nan 8.230 nan 0.000 0.437 228 D N -1.296 119.143 120.400 0.065 0.000 2.392 228 D HA -0.102 4.538 4.640 -0.000 0.000 0.228 228 D C 1.966 178.291 176.300 0.040 0.000 1.003 228 D CA 0.892 54.938 54.000 0.076 0.000 0.917 228 D CB -0.465 40.416 40.800 0.135 0.000 0.890 228 D HN 0.212 nan 8.370 nan 0.000 0.532 229 G N -0.158 108.676 108.800 0.057 0.000 2.422 229 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.218 229 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.218 229 G C 0.596 175.504 174.900 0.014 0.000 1.140 229 G CA 0.172 45.278 45.100 0.009 0.000 0.775 229 G HN 0.240 nan 8.290 nan 0.000 0.545 230 L N 0.414 121.691 121.223 0.091 0.000 2.439 230 L HA 0.312 4.652 4.340 -0.000 0.000 0.261 230 L C 0.270 177.173 176.870 0.055 0.000 1.153 230 L CA -0.481 54.415 54.840 0.093 0.000 0.808 230 L CB 1.066 43.204 42.059 0.132 0.000 1.126 230 L HN 0.046 nan 8.230 nan 0.000 0.460 231 D N 1.652 122.083 120.400 0.052 0.000 2.443 231 D HA 0.027 4.667 4.640 -0.000 0.000 0.239 231 D C -1.708 174.617 176.300 0.043 0.000 1.136 231 D CA -0.743 53.279 54.000 0.037 0.000 0.879 231 D CB 1.030 41.852 40.800 0.037 0.000 1.195 231 D HN 0.288 nan 8.370 nan 0.000 0.443 232 P HA -0.154 nan 4.420 nan 0.000 0.221 232 P C 0.976 178.295 177.300 0.032 0.000 1.145 232 P CA 1.078 64.200 63.100 0.035 0.000 0.795 232 P CB 0.057 31.776 31.700 0.031 0.000 0.775 233 S N -1.821 113.896 115.700 0.029 0.000 2.428 233 S HA -0.106 4.364 4.470 -0.000 0.000 0.230 233 S C 1.629 176.241 174.600 0.021 0.000 1.014 233 S CA 1.076 59.289 58.200 0.022 0.000 0.957 233 S CB -0.829 62.382 63.200 0.019 0.000 0.784 233 S HN 0.098 nan 8.310 nan 0.000 0.499 234 D N 1.946 122.370 120.400 0.040 0.000 2.201 234 D HA 0.252 4.892 4.640 -0.000 0.000 0.209 234 D C 0.680 177.012 176.300 0.053 0.000 0.961 234 D CA 1.067 55.097 54.000 0.050 0.000 0.861 234 D CB 0.128 40.996 40.800 0.114 0.000 0.997 234 D HN 0.528 nan 8.370 nan 0.000 0.486 235 A N 1.823 124.679 122.820 0.061 0.000 2.978 235 A HA 0.338 4.658 4.320 -0.000 0.000 0.341 235 A C -1.839 175.774 177.584 0.048 0.000 1.105 235 A CA -1.035 51.038 52.037 0.060 0.000 0.819 235 A CB 1.123 20.169 19.000 0.076 0.000 1.080 235 A HN -0.107 nan 8.150 nan 0.000 0.476 236 P HA -0.066 nan 4.420 nan 0.000 0.219 236 P C 1.078 178.400 177.300 0.037 0.000 1.150 236 P CA 1.222 64.341 63.100 0.033 0.000 0.814 236 P CB 0.124 31.838 31.700 0.024 0.000 0.787 237 G N 1.440 110.263 108.800 0.037 0.000 3.102 237 G HA2 0.376 4.336 3.960 -0.000 0.000 0.264 237 G HA3 0.376 4.336 3.960 -0.000 0.000 0.264 237 G C 0.117 175.043 174.900 0.044 0.000 0.788 237 G CA -0.105 45.017 45.100 0.037 0.000 2.029 237 G HN 0.277 nan 8.290 nan 0.000 0.608 238 V N -1.480 118.466 119.914 0.052 0.000 2.962 238 V HA 0.868 4.988 4.120 -0.000 0.000 0.313 238 V C 1.015 177.153 176.094 0.073 0.000 1.099 238 V CA -0.175 62.165 62.300 0.066 0.000 0.971 238 V CB 1.603 33.474 31.823 0.079 0.000 1.028 238 V HN 0.234 nan 8.190 nan 0.000 0.430 239 G N 1.603 110.455 108.800 0.087 0.000 2.421 239 G HA2 0.148 4.108 3.960 -0.000 0.000 0.217 239 G HA3 0.148 4.108 3.960 -0.000 0.000 0.217 239 G C 0.703 175.666 174.900 0.105 0.000 1.143 239 G CA 1.125 46.279 45.100 0.090 0.000 0.784 239 G HN 1.462 nan 8.290 nan 0.000 0.541 240 T N -0.284 114.349 114.554 0.132 0.000 3.317 240 T HA 0.526 4.876 4.350 -0.000 0.000 0.361 240 T C -2.930 171.892 174.700 0.204 0.000 1.499 240 T CA -1.739 60.451 62.100 0.151 0.000 1.529 240 T CB 2.405 71.332 68.868 0.099 0.000 0.997 240 T HN 0.019 nan 8.240 nan 0.000 0.624 241 P HA 0.453 nan 4.420 nan 0.000 0.275 241 P C -0.766 176.579 177.300 0.075 0.000 1.228 241 P CA -0.394 62.762 63.100 0.093 0.000 0.786 241 P CB 1.505 33.245 31.700 0.065 0.000 0.927 242 V N 4.047 123.978 119.914 0.029 0.000 2.612 242 V HA 0.250 4.370 4.120 -0.000 0.000 0.301 242 V C 0.699 176.788 176.094 -0.009 0.000 1.059 242 V CA -0.926 61.373 62.300 -0.001 0.000 0.886 242 V CB 1.595 33.376 31.823 -0.070 0.000 1.007 242 V HN 0.532 nan 8.190 nan 0.000 0.426 243 I N 1.447 122.018 120.570 0.002 0.000 3.060 243 I HA 0.663 4.833 4.170 -0.000 0.000 0.285 243 I C 1.062 177.175 176.117 -0.006 0.000 1.190 243 I CA 0.747 62.049 61.300 0.003 0.000 1.363 243 I CB 0.474 38.479 38.000 0.008 0.000 1.396 243 I HN 0.991 nan 8.210 nan 0.000 0.607 244 G N 2.821 111.620 108.800 -0.001 0.000 2.248 244 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.263 244 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.263 244 G C 0.111 175.002 174.900 -0.014 0.000 1.082 244 G CA -0.027 45.071 45.100 -0.004 0.000 0.863 244 G HN 1.383 nan 8.290 nan 0.000 0.495 245 G N -1.285 107.509 108.800 -0.010 0.000 2.642 245 G HA2 0.731 4.691 3.960 -0.000 0.000 0.291 245 G HA3 0.731 4.691 3.960 -0.000 0.000 0.291 245 G C 0.422 175.317 174.900 -0.009 0.000 1.345 245 G CA -1.234 43.854 45.100 -0.020 0.000 1.043 245 G HN 0.677 nan 8.290 nan 0.000 0.528 246 L N 0.780 121.993 121.223 -0.018 0.000 2.456 246 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 246 L C 1.497 178.404 176.870 0.061 0.000 1.189 246 L CA -0.512 54.330 54.840 0.004 0.000 0.846 246 L CB 0.771 42.816 42.059 -0.024 0.000 1.111 246 L HN 0.709 nan 8.230 nan 0.000 0.475 247 T N -1.425 113.173 114.554 0.072 0.000 2.816 247 T HA 0.058 4.407 4.350 -0.000 0.000 0.282 247 T C 0.896 175.696 174.700 0.167 0.000 0.993 247 T CA -0.279 61.889 62.100 0.114 0.000 0.994 247 T CB 0.662 69.590 68.868 0.099 0.000 1.025 247 T HN 0.500 nan 8.240 nan 0.000 0.529 248 Y N 1.335 121.679 120.300 0.073 0.000 2.145 248 Y HA -0.067 4.483 4.550 -0.000 0.000 0.286 248 Y C 2.778 178.773 175.900 0.159 0.000 1.145 248 Y CA 1.538 59.701 58.100 0.106 0.000 1.148 248 Y CB -0.295 38.232 38.460 0.112 0.000 0.981 248 Y HN 0.641 nan 8.280 nan 0.000 0.507 249 R N 0.129 120.712 120.500 0.137 0.000 2.081 249 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 249 R C 2.227 178.540 176.300 0.022 0.000 1.131 249 R CA 1.814 57.943 56.100 0.048 0.000 0.960 249 R CB -0.310 30.039 30.300 0.080 0.000 0.856 249 R HN 0.477 nan 8.270 nan 0.000 0.436 250 E N 0.038 120.262 120.200 0.039 0.000 2.085 250 E HA -0.164 4.185 4.350 -0.000 0.000 0.194 250 E C 2.030 178.656 176.600 0.042 0.000 0.994 250 E CA 1.562 57.984 56.400 0.037 0.000 0.801 250 E CB 0.012 29.738 29.700 0.044 0.000 0.743 250 E HN 0.216 nan 8.360 nan 0.000 0.453 251 S N -0.057 115.659 115.700 0.027 0.000 2.382 251 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 251 S C 1.743 176.206 174.600 -0.228 0.000 1.027 251 S CA 0.746 58.915 58.200 -0.052 0.000 0.991 251 S CB -0.257 62.889 63.200 -0.090 0.000 0.823 251 S HN 0.346 nan 8.310 nan 0.000 0.469 252 H N 0.512 119.449 119.070 -0.221 0.000 2.357 252 H HA 0.040 4.596 4.556 -0.000 0.000 0.301 252 H C 2.241 177.486 175.328 -0.138 0.000 1.082 252 H CA 1.284 57.195 56.048 -0.228 0.000 1.342 252 H CB -0.534 29.045 29.762 -0.306 0.000 1.389 252 H HN 0.245 nan 8.280 nan 0.000 0.511 253 L N 1.044 122.278 121.223 0.018 0.000 2.042 253 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 253 L C 2.572 179.430 176.870 -0.021 0.000 1.076 253 L CA 1.895 56.734 54.840 -0.001 0.000 0.749 253 L CB -0.817 41.242 42.059 -0.000 0.000 0.893 253 L HN 0.165 nan 8.230 nan 0.000 0.432 254 A N -0.725 122.080 122.820 -0.024 0.000 1.883 254 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 254 A C 2.210 179.743 177.584 -0.085 0.000 1.186 254 A CA 2.290 54.311 52.037 -0.027 0.000 0.624 254 A CB -0.570 18.459 19.000 0.049 0.000 0.822 254 A HN 0.494 nan 8.150 nan 0.000 0.444 255 M N -0.402 119.115 119.600 -0.138 0.000 2.117 255 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 255 M C 1.886 178.128 176.300 -0.097 0.000 1.065 255 M CA 1.487 56.695 55.300 -0.153 0.000 1.114 255 M CB -1.603 30.886 32.600 -0.185 0.000 1.361 255 M HN 0.541 nan 8.290 nan 0.000 0.408 256 E N -0.226 119.941 120.200 -0.055 0.000 2.110 256 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 256 E C 2.060 178.642 176.600 -0.031 0.000 0.988 256 E CA 1.132 57.513 56.400 -0.031 0.000 0.804 256 E CB -0.131 29.562 29.700 -0.011 0.000 0.745 256 E HN 0.480 nan 8.360 nan 0.000 0.458 257 M N 0.204 119.784 119.600 -0.032 0.000 2.200 257 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 257 M C 2.184 178.469 176.300 -0.026 0.000 1.066 257 M CA 0.992 56.278 55.300 -0.024 0.000 1.127 257 M CB -0.013 32.574 32.600 -0.022 0.000 1.379 257 M HN 0.122 nan 8.290 nan 0.000 0.420 258 L N -0.220 120.977 121.223 -0.043 0.000 2.017 258 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 258 L C 2.850 179.696 176.870 -0.040 0.000 1.073 258 L CA 1.246 56.059 54.840 -0.045 0.000 0.745 258 L CB -0.881 41.131 42.059 -0.079 0.000 0.894 258 L HN 0.293 nan 8.230 nan 0.000 0.432 259 A N -0.209 122.576 122.820 -0.058 0.000 1.883 259 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 259 A C 2.256 179.837 177.584 -0.005 0.000 1.186 259 A CA 2.015 54.028 52.037 -0.042 0.000 0.624 259 A CB -0.604 18.369 19.000 -0.045 0.000 0.822 259 A HN 0.489 nan 8.150 nan 0.000 0.444 260 E N -0.254 119.942 120.200 -0.007 0.000 2.085 260 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 260 E C 2.024 178.631 176.600 0.011 0.000 0.994 260 E CA 1.059 57.461 56.400 0.004 0.000 0.801 260 E CB -0.233 29.466 29.700 -0.001 0.000 0.743 260 E HN 0.555 nan 8.360 nan 0.000 0.453 261 A N 0.227 123.052 122.820 0.009 0.000 2.066 261 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 261 A C 0.929 178.530 177.584 0.029 0.000 1.157 261 A CA 0.983 53.031 52.037 0.018 0.000 0.670 261 A CB -0.158 18.852 19.000 0.016 0.000 0.804 261 A HN 0.434 nan 8.150 nan 0.000 0.453 262 Q N -1.724 118.095 119.800 0.032 0.000 2.475 262 Q HA -0.217 4.123 4.340 -0.000 0.000 0.280 262 Q C 0.668 176.707 176.000 0.065 0.000 1.234 262 Q CA 0.896 56.732 55.803 0.054 0.000 0.873 262 Q CB -1.923 26.850 28.738 0.059 0.000 1.256 262 Q HN 0.989 nan 8.270 nan 0.000 0.475 263 I N -4.433 116.168 120.570 0.052 0.000 3.941 263 I HA 0.137 4.307 4.170 -0.000 0.000 0.321 263 I C 0.549 176.701 176.117 0.059 0.000 1.284 263 I CA -0.425 60.906 61.300 0.052 0.000 1.226 263 I CB 0.347 38.368 38.000 0.034 0.000 1.045 263 I HN -0.023 nan 8.210 nan 0.000 0.420 264 I N 3.924 124.538 120.570 0.073 0.000 2.436 264 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 264 I C 1.334 177.591 176.117 0.232 0.000 1.083 264 I CA 0.378 61.741 61.300 0.105 0.000 1.372 264 I CB 0.734 38.779 38.000 0.074 0.000 1.408 264 I HN 0.306 nan 8.210 nan 0.000 0.516 265 T N 0.754 115.365 114.554 0.094 0.000 3.023 265 T HA 0.207 4.557 4.350 -0.000 0.000 0.253 265 T C 0.527 174.960 174.700 -0.445 0.000 1.038 265 T CA -0.052 62.062 62.100 0.024 0.000 0.962 265 T CB 0.129 69.000 68.868 0.005 0.000 1.018 265 T HN 0.630 nan 8.240 nan 0.000 0.521 266 S N -0.307 115.095 115.700 -0.498 0.000 2.567 266 S HA 0.815 5.285 4.470 -0.000 0.000 0.270 266 S C -1.404 173.152 174.600 -0.073 0.000 1.152 266 S CA -0.606 57.128 58.200 -0.776 0.000 0.835 266 S CB 1.467 64.521 63.200 -0.244 0.000 1.115 266 S HN 1.044 nan 8.310 nan 0.000 0.459 267 A N 0.744 123.653 122.820 0.148 0.000 2.610 267 A HA 0.894 5.214 4.320 -0.000 0.000 0.291 267 A C -1.544 176.191 177.584 0.251 0.000 1.086 267 A CA -0.623 51.517 52.037 0.172 0.000 0.677 267 A CB 1.567 20.786 19.000 0.365 0.000 1.278 267 A HN 1.325 nan 8.150 nan 0.000 0.414 268 E N 0.203 120.415 120.200 0.021 0.000 2.335 268 E HA 0.659 5.009 4.350 -0.000 0.000 0.280 268 E C -2.050 174.429 176.600 -0.201 0.000 0.918 268 E CA -0.595 55.847 56.400 0.071 0.000 0.765 268 E CB 1.633 31.384 29.700 0.085 0.000 1.218 268 E HN 0.320 nan 8.360 nan 0.000 0.425 269 F N 1.923 121.817 119.950 -0.094 0.000 2.427 269 F HA 0.420 4.947 4.527 -0.000 0.000 0.348 269 F C 0.114 175.821 175.800 -0.155 0.000 1.125 269 F CA -0.591 57.324 58.000 -0.142 0.000 0.989 269 F CB 1.967 40.909 39.000 -0.096 0.000 1.165 269 F HN 0.491 nan 8.300 nan 0.000 0.442 270 V N -0.504 119.299 119.914 -0.184 0.000 3.164 270 V HA 0.663 4.782 4.120 -0.000 0.000 0.313 270 V C 0.088 176.101 176.094 -0.135 0.000 1.188 270 V CA -1.020 61.164 62.300 -0.194 0.000 1.058 270 V CB 1.890 33.460 31.823 -0.421 0.000 1.110 270 V HN 0.698 nan 8.190 nan 0.000 0.453 271 E N -1.432 118.722 120.200 -0.077 0.000 3.496 271 E HA -0.162 4.188 4.350 -0.000 0.000 0.300 271 E C 0.061 176.671 176.600 0.017 0.000 0.877 271 E CA 0.972 57.369 56.400 -0.006 0.000 1.050 271 E CB -1.789 27.915 29.700 0.006 0.000 1.532 271 E HN 0.730 nan 8.360 nan 0.000 0.447 272 V N 2.020 121.941 119.914 0.012 0.000 2.479 272 V HA 0.149 4.269 4.120 -0.000 0.000 0.281 272 V C 0.706 176.812 176.094 0.020 0.000 1.031 272 V CA 0.024 62.338 62.300 0.022 0.000 1.038 272 V CB 1.090 32.925 31.823 0.020 0.000 0.981 272 V HN 0.142 nan 8.190 nan 0.000 0.478 273 N N 6.975 125.691 118.700 0.026 0.000 2.573 273 N HA 0.393 5.133 4.740 -0.000 0.000 0.262 273 N C -2.081 173.444 175.510 0.025 0.000 1.029 273 N CA -2.096 50.969 53.050 0.024 0.000 0.882 273 N CB 2.552 41.057 38.487 0.030 0.000 1.204 273 N HN 0.144 nan 8.380 nan 0.000 0.519 274 P HA 0.003 nan 4.420 nan 0.000 0.218 274 P C 1.286 178.603 177.300 0.028 0.000 1.148 274 P CA 0.970 64.087 63.100 0.028 0.000 0.822 274 P CB 0.445 32.165 31.700 0.033 0.000 0.784 275 I N -1.673 118.912 120.570 0.025 0.000 3.001 275 I HA -0.118 4.052 4.170 -0.000 0.000 0.268 275 I C 1.553 177.683 176.117 0.022 0.000 1.267 275 I CA 1.071 62.385 61.300 0.023 0.000 1.472 275 I CB -0.255 37.757 38.000 0.020 0.000 1.089 275 I HN -0.051 nan 8.210 nan 0.000 0.468 276 L N -0.893 120.345 121.223 0.025 0.000 2.766 276 L HA 0.224 4.564 4.340 -0.000 0.000 0.242 276 L C 0.386 177.272 176.870 0.026 0.000 1.136 276 L CA -0.178 54.677 54.840 0.026 0.000 0.933 276 L CB 0.003 42.080 42.059 0.031 0.000 1.241 276 L HN 0.061 nan 8.230 nan 0.000 0.522 277 D N 0.977 121.392 120.400 0.025 0.000 2.451 277 D HA 0.193 4.833 4.640 -0.000 0.000 0.259 277 D C -0.308 176.003 176.300 0.019 0.000 1.201 277 D CA -0.120 53.895 54.000 0.024 0.000 1.028 277 D CB 0.993 41.809 40.800 0.026 0.000 1.095 277 D HN 0.017 nan 8.370 nan 0.000 0.539 278 E N 0.803 121.012 120.200 0.016 0.000 2.183 278 E HA 0.329 4.679 4.350 -0.000 0.000 0.250 278 E C -0.569 176.037 176.600 0.010 0.000 0.901 278 E CA -0.396 56.011 56.400 0.011 0.000 0.741 278 E CB 0.910 30.613 29.700 0.006 0.000 1.182 278 E HN 0.330 nan 8.360 nan 0.000 0.425 279 R N 2.504 123.012 120.500 0.013 0.000 3.333 279 R HA -0.266 4.074 4.340 -0.000 0.000 0.256 279 R C 0.023 176.334 176.300 0.019 0.000 1.010 279 R CA 0.422 56.530 56.100 0.014 0.000 0.680 279 R CB -1.698 28.606 30.300 0.006 0.000 1.102 279 R HN 0.726 nan 8.270 nan 0.000 0.440 280 N N -0.517 118.199 118.700 0.027 0.000 2.753 280 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 280 N C 1.055 176.580 175.510 0.025 0.000 1.097 280 N CA 1.882 54.952 53.050 0.033 0.000 0.786 280 N CB -0.381 38.134 38.487 0.047 0.000 1.137 280 N HN 0.690 nan 8.380 nan 0.000 0.566 281 K N -0.752 119.657 120.400 0.015 0.000 2.044 281 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 281 K C 1.415 178.027 176.600 0.020 0.000 1.049 281 K CA 2.085 58.376 56.287 0.007 0.000 0.927 281 K CB -0.326 32.172 32.500 -0.004 0.000 0.713 281 K HN 0.375 nan 8.250 nan 0.000 0.443 282 T N 0.608 115.179 114.554 0.029 0.000 2.746 282 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 282 T C 1.932 176.657 174.700 0.043 0.000 1.039 282 T CA 1.348 63.473 62.100 0.042 0.000 1.142 282 T CB -0.367 68.526 68.868 0.041 0.000 0.866 282 T HN 0.452 nan 8.240 nan 0.000 0.444 283 A N 1.395 124.233 122.820 0.030 0.000 1.933 283 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 283 A C 2.594 180.186 177.584 0.013 0.000 1.175 283 A CA 1.797 53.844 52.037 0.017 0.000 0.628 283 A CB -0.753 18.253 19.000 0.011 0.000 0.814 283 A HN 0.444 nan 8.150 nan 0.000 0.444 284 S N -0.382 115.335 115.700 0.027 0.000 2.368 284 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 284 S C 1.879 176.520 174.600 0.068 0.000 1.029 284 S CA 1.330 59.551 58.200 0.036 0.000 0.988 284 S CB -0.447 62.772 63.200 0.032 0.000 0.838 284 S HN 0.350 nan 8.310 nan 0.000 0.462 285 V N 2.246 122.216 119.914 0.093 0.000 2.332 285 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 285 V C 2.690 178.833 176.094 0.082 0.000 1.055 285 V CA 1.735 64.142 62.300 0.179 0.000 1.038 285 V CB -1.285 30.651 31.823 0.190 0.000 0.651 285 V HN 0.542 nan 8.190 nan 0.000 0.450 286 A N -0.180 122.661 122.820 0.035 0.000 1.883 286 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 286 A C 2.396 179.837 177.584 -0.239 0.000 1.186 286 A CA 2.242 54.254 52.037 -0.041 0.000 0.624 286 A CB -0.750 18.253 19.000 0.005 0.000 0.822 286 A HN 0.347 nan 8.150 nan 0.000 0.444 287 V N -0.243 119.586 119.914 -0.142 0.000 2.343 287 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 287 V C 3.032 179.071 176.094 -0.091 0.000 1.051 287 V CA 1.932 64.143 62.300 -0.148 0.000 1.036 287 V CB -1.214 30.568 31.823 -0.069 0.000 0.654 287 V HN 0.624 nan 8.190 nan 0.000 0.451 288 A N -0.349 122.477 122.820 0.010 0.000 1.930 288 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 288 A C 2.201 179.810 177.584 0.042 0.000 1.175 288 A CA 1.538 53.650 52.037 0.124 0.000 0.627 288 A CB -0.459 18.740 19.000 0.332 0.000 0.815 288 A HN 0.507 nan 8.150 nan 0.000 0.443 289 L N -1.309 119.816 121.223 -0.164 0.000 2.093 289 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 289 L C 2.808 179.557 176.870 -0.201 0.000 1.085 289 L CA 1.213 55.881 54.840 -0.287 0.000 0.755 289 L CB -0.474 41.464 42.059 -0.202 0.000 0.904 289 L HN 0.414 nan 8.230 nan 0.000 0.435 290 M N -0.492 118.911 119.600 -0.328 0.000 2.117 290 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 290 M C 2.338 178.621 176.300 -0.029 0.000 1.065 290 M CA 1.835 56.952 55.300 -0.305 0.000 1.114 290 M CB -0.844 31.497 32.600 -0.432 0.000 1.361 290 M HN 0.359 nan 8.290 nan 0.000 0.408 291 G N -0.339 108.452 108.800 -0.015 0.000 2.491 291 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 291 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 291 G C 1.585 176.517 174.900 0.054 0.000 1.180 291 G CA 1.328 46.460 45.100 0.053 0.000 0.774 291 G HN 0.434 nan 8.290 nan 0.000 0.562 292 S N 0.305 116.023 115.700 0.030 0.000 2.368 292 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 292 S C 2.188 176.747 174.600 -0.069 0.000 1.030 292 S CA 1.211 59.421 58.200 0.017 0.000 0.999 292 S CB -0.342 62.901 63.200 0.071 0.000 0.844 292 S HN 0.270 nan 8.310 nan 0.000 0.459 293 L N 0.872 121.989 121.223 -0.177 0.000 2.042 293 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 293 L C 1.175 177.760 176.870 -0.475 0.000 1.076 293 L CA 1.790 56.410 54.840 -0.368 0.000 0.749 293 L CB -0.675 41.056 42.059 -0.547 0.000 0.893 293 L HN 0.230 nan 8.230 nan 0.000 0.432 294 F N 0.291 120.184 119.950 -0.095 0.000 2.693 294 F HA 0.377 4.904 4.527 -0.000 0.000 0.303 294 F C 1.796 177.650 175.800 0.089 0.000 1.143 294 F CA 0.446 58.399 58.000 -0.078 0.000 1.389 294 F CB -0.421 38.391 39.000 -0.313 0.000 1.060 294 F HN 0.244 nan 8.300 nan 0.000 0.535 295 G N -0.167 108.702 108.800 0.115 0.000 2.179 295 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 295 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 295 G C 0.223 175.159 174.900 0.060 0.000 0.990 295 G CA -0.242 44.914 45.100 0.094 0.000 0.646 295 G HN 0.366 nan 8.290 nan 0.000 0.517 296 E N 1.166 121.404 120.200 0.064 0.000 2.480 296 E HA 0.411 4.761 4.350 -0.000 0.000 0.258 296 E C 0.362 176.967 176.600 0.008 0.000 0.984 296 E CA 0.507 56.925 56.400 0.030 0.000 0.930 296 E CB 0.247 29.969 29.700 0.038 0.000 0.936 296 E HN 0.415 nan 8.360 nan 0.000 0.466 297 K N 3.741 124.136 120.400 -0.009 0.000 2.395 297 K HA 0.287 4.607 4.320 -0.000 0.000 0.247 297 K C 0.672 177.257 176.600 -0.026 0.000 0.973 297 K CA -0.743 55.534 56.287 -0.016 0.000 0.828 297 K CB 1.302 33.794 32.500 -0.014 0.000 1.272 297 K HN 0.451 nan 8.250 nan 0.000 0.439 298 L N 0.495 121.699 121.223 -0.031 0.000 2.131 298 L HA 0.043 4.382 4.340 -0.000 0.000 0.206 298 L C 1.110 177.965 176.870 -0.025 0.000 1.087 298 L CA 0.958 55.778 54.840 -0.034 0.000 0.767 298 L CB -0.022 42.012 42.059 -0.041 0.000 0.917 298 L HN 0.538 nan 8.230 nan 0.000 0.441 299 M N 0.000 119.587 119.600 -0.021 0.000 2.572 299 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 299 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 299 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 299 M HN 0.000 nan 8.290 nan 0.000 0.411