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 3l0o_1_A DATA FIRST_RESID 4 DATA SEQUENCE EQKTISISEL ESMNIKQLYE IAKSLGIPRY TSMRKRDLIF AILKAQTEST DATA SEQUENCE GYFFGEGVLE IHPEGFGFLR RIEDNLLPSN DDIYISPSQI RKFNLNTGDI DATA SEQUENCE ISGVIRKPKE GEKYFAMIKI EAINYRPVXX XXDRVNFDNL TPDYPRERFI DATA SEQUENCE LETDPKIYST RLIDLFAPIG KGQRGMIVAP PKAGKTTILK EIANGIAENH DATA SEQUENCE PDTIRIILLI DERPEEVTDI RESTNAIVIA APFDMPPDKQ VKVAELTLEM DATA SEQUENCE AKRLVEFNYD VVILLDSLTR LARVYNIVVP PSGKLLTGGV DPAALYKPKR DATA SEQUENCE FFGAARNTRE GGSLTIIATA LVETGSKMDE VIFEEFKGTG NMELVLSRQL DATA SEQUENCE ANKRIFPAIN LLLSGTRREE LLLDEETLKK VWLLRRMLSA MTEEEGLTLI DATA SEQUENCE LNKLSETSSN EEFLKLI 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.583 176.600 -0.029 0.000 1.382 4 E CA 0.000 56.390 56.400 -0.016 0.000 0.976 4 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 5 Q N 1.706 121.493 119.800 -0.022 0.000 1.817 5 Q HA -0.248 4.092 4.340 -0.000 0.000 0.290 5 Q C 1.613 177.597 176.000 -0.026 0.000 1.048 5 Q CA 3.147 58.939 55.803 -0.019 0.000 0.889 5 Q CB -0.135 28.593 28.738 -0.015 0.000 0.991 5 Q HN 0.412 nan 8.270 nan 0.000 0.416 6 K N -5.137 115.248 120.400 -0.026 0.000 4.963 6 K HA -0.133 4.187 4.320 -0.000 0.000 0.398 6 K C 0.838 177.416 176.600 -0.038 0.000 0.890 6 K CA 1.769 58.039 56.287 -0.029 0.000 1.773 6 K CB -1.356 31.129 32.500 -0.026 0.000 0.541 6 K HN 0.453 nan 8.250 nan 0.000 0.417 7 T N -1.209 113.320 114.554 -0.040 0.000 3.732 7 T HA 0.303 4.653 4.350 -0.000 0.000 0.210 7 T C 0.329 175.000 174.700 -0.048 0.000 0.738 7 T CA 1.127 63.198 62.100 -0.049 0.000 1.029 7 T CB -0.801 68.022 68.868 -0.076 0.000 0.902 7 T HN 0.593 nan 8.240 nan 0.000 0.336 8 I N 1.283 121.805 120.570 -0.081 0.000 4.911 8 I HA -0.379 3.791 4.170 -0.000 0.000 0.038 8 I C 1.699 177.766 176.117 -0.083 0.000 0.637 8 I CA 1.189 62.403 61.300 -0.143 0.000 0.215 8 I CB -1.860 35.961 38.000 -0.298 0.000 0.332 8 I HN 0.617 nan 8.210 nan 0.000 0.152 9 S N -0.583 115.074 115.700 -0.071 0.000 2.889 9 S HA -0.341 4.129 4.470 -0.000 0.000 0.382 9 S C 1.365 175.963 174.600 -0.004 0.000 1.483 9 S CA 2.778 60.994 58.200 0.026 0.000 1.121 9 S CB -1.034 62.198 63.200 0.053 0.000 1.266 9 S HN 0.516 nan 8.310 nan 0.000 0.458 10 I N 0.515 121.074 120.570 -0.020 0.000 2.208 10 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 10 I C 2.536 178.652 176.117 -0.002 0.000 1.097 10 I CA 1.520 62.825 61.300 0.009 0.000 1.363 10 I CB -0.412 37.627 38.000 0.065 0.000 1.051 10 I HN 0.308 nan 8.210 nan 0.000 0.413 11 S N 0.218 115.903 115.700 -0.025 0.000 2.359 11 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 11 S C 1.885 176.466 174.600 -0.033 0.000 1.035 11 S CA 1.684 59.862 58.200 -0.036 0.000 1.018 11 S CB -0.206 62.945 63.200 -0.081 0.000 0.876 11 S HN 0.447 nan 8.310 nan 0.000 0.448 12 E N 0.518 120.689 120.200 -0.048 0.000 2.051 12 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 12 E C 2.147 178.759 176.600 0.019 0.000 0.991 12 E CA 1.249 57.662 56.400 0.021 0.000 0.799 12 E CB -0.298 29.476 29.700 0.124 0.000 0.748 12 E HN 0.440 nan 8.360 nan 0.000 0.449 13 L N 1.213 122.405 121.223 -0.051 0.000 2.083 13 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 13 L C 2.495 179.337 176.870 -0.048 0.000 1.083 13 L CA 0.911 55.684 54.840 -0.113 0.000 0.752 13 L CB -0.357 41.574 42.059 -0.214 0.000 0.899 13 L HN 0.070 nan 8.230 nan 0.000 0.433 14 E N 0.173 120.362 120.200 -0.019 0.000 2.085 14 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 14 E C 2.355 178.956 176.600 0.002 0.000 0.994 14 E CA 1.787 58.185 56.400 -0.003 0.000 0.801 14 E CB -0.193 29.513 29.700 0.010 0.000 0.743 14 E HN 0.577 nan 8.360 nan 0.000 0.453 15 S N -0.222 115.488 115.700 0.017 0.000 2.522 15 S HA 0.019 4.489 4.470 -0.000 0.000 0.227 15 S C 1.223 175.840 174.600 0.028 0.000 0.986 15 S CA 0.058 58.278 58.200 0.033 0.000 0.929 15 S CB -0.163 63.077 63.200 0.067 0.000 0.769 15 S HN 0.050 nan 8.310 nan 0.000 0.529 16 M N 3.921 123.528 119.600 0.013 0.000 2.217 16 M HA 0.197 4.677 4.480 -0.000 0.000 0.354 16 M C 0.591 176.877 176.300 -0.022 0.000 1.225 16 M CA -0.366 54.938 55.300 0.007 0.000 1.137 16 M CB 0.462 33.060 32.600 -0.003 0.000 1.576 16 M HN 0.384 nan 8.290 nan 0.000 0.461 17 N N 3.208 121.896 118.700 -0.020 0.000 2.381 17 N HA -0.014 4.726 4.740 -0.000 0.000 0.241 17 N C 0.484 175.933 175.510 -0.101 0.000 1.279 17 N CA -0.494 52.527 53.050 -0.049 0.000 0.896 17 N CB 1.140 39.609 38.487 -0.030 0.000 1.118 17 N HN 0.531 nan 8.380 nan 0.000 0.438 18 I N 0.604 121.071 120.570 -0.171 0.000 2.264 18 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 18 I C 2.492 178.380 176.117 -0.381 0.000 1.111 18 I CA 1.422 62.500 61.300 -0.370 0.000 1.382 18 I CB -1.280 36.453 38.000 -0.445 0.000 1.060 18 I HN 0.752 nan 8.210 nan 0.000 0.418 19 K N 0.992 121.292 120.400 -0.168 0.000 2.032 19 K HA -0.282 4.038 4.320 -0.000 0.000 0.209 19 K C 2.209 178.822 176.600 0.022 0.000 1.048 19 K CA 2.117 58.388 56.287 -0.027 0.000 0.927 19 K CB -0.121 32.386 32.500 0.013 0.000 0.712 19 K HN 0.368 nan 8.250 nan 0.000 0.441 20 Q N 0.619 120.416 119.800 -0.004 0.000 2.050 20 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 20 Q C 2.242 178.249 176.000 0.012 0.000 0.980 20 Q CA 1.376 57.191 55.803 0.020 0.000 0.840 20 Q CB -0.124 28.629 28.738 0.025 0.000 0.898 20 Q HN 0.381 nan 8.270 nan 0.000 0.424 21 L N -0.097 121.107 121.223 -0.031 0.000 2.079 21 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 21 L C 2.233 179.149 176.870 0.077 0.000 1.081 21 L CA 1.516 56.342 54.840 -0.023 0.000 0.752 21 L CB -0.467 41.555 42.059 -0.062 0.000 0.896 21 L HN 0.499 nan 8.230 nan 0.000 0.433 22 Y N 0.240 120.497 120.300 -0.072 0.000 2.200 22 Y HA -0.318 4.232 4.550 -0.000 0.000 0.290 22 Y C 2.723 178.476 175.900 -0.245 0.000 1.137 22 Y CA 0.974 58.991 58.100 -0.138 0.000 1.163 22 Y CB 0.012 38.516 38.460 0.073 0.000 0.988 22 Y HN 0.380 nan 8.280 nan 0.000 0.518 23 E N 0.873 121.113 120.200 0.068 0.000 2.058 23 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 23 E C 1.735 178.296 176.600 -0.065 0.000 0.997 23 E CA 1.931 58.331 56.400 -0.000 0.000 0.801 23 E CB -0.680 29.044 29.700 0.039 0.000 0.746 23 E HN 0.396 nan 8.360 nan 0.000 0.450 24 I N 1.659 122.203 120.570 -0.043 0.000 2.179 24 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 24 I C 2.631 178.678 176.117 -0.118 0.000 1.088 24 I CA 1.593 62.870 61.300 -0.038 0.000 1.357 24 I CB -0.505 37.492 38.000 -0.004 0.000 1.051 24 I HN 0.350 nan 8.210 nan 0.000 0.409 25 A N -0.097 122.583 122.820 -0.234 0.000 1.933 25 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 25 A C 2.382 179.687 177.584 -0.465 0.000 1.175 25 A CA 1.773 53.594 52.037 -0.359 0.000 0.628 25 A CB -0.545 18.144 19.000 -0.518 0.000 0.814 25 A HN 0.344 nan 8.150 nan 0.000 0.444 26 K N -0.073 119.967 120.400 -0.600 0.000 1.973 26 K HA -0.131 4.189 4.320 -0.000 0.000 0.212 26 K C 2.295 178.805 176.600 -0.149 0.000 1.047 26 K CA 1.612 57.723 56.287 -0.293 0.000 0.937 26 K CB -0.285 32.119 32.500 -0.161 0.000 0.721 26 K HN 0.453 nan 8.250 nan 0.000 0.440 27 S N 1.522 117.136 115.700 -0.143 0.000 2.399 27 S HA -0.197 4.273 4.470 -0.000 0.000 0.235 27 S C 1.764 176.264 174.600 -0.167 0.000 1.063 27 S CA 1.514 59.617 58.200 -0.162 0.000 1.070 27 S CB -0.324 62.815 63.200 -0.102 0.000 0.904 27 S HN 0.310 nan 8.310 nan 0.000 0.456 28 L N 0.624 121.804 121.223 -0.071 0.000 2.554 28 L HA 0.163 4.503 4.340 -0.000 0.000 0.226 28 L C 1.567 178.450 176.870 0.022 0.000 1.137 28 L CA 0.326 55.180 54.840 0.023 0.000 0.863 28 L CB -0.974 41.131 42.059 0.076 0.000 0.985 28 L HN 0.519 nan 8.230 nan 0.000 0.451 29 G N 1.712 110.502 108.800 -0.018 0.000 2.295 29 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 29 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 29 G C 0.205 175.146 174.900 0.069 0.000 1.055 29 G CA -0.255 44.861 45.100 0.028 0.000 0.922 29 G HN 0.207 nan 8.290 nan 0.000 0.503 30 I N 0.685 121.303 120.570 0.080 0.000 2.533 30 I HA 0.158 4.328 4.170 -0.000 0.000 0.284 30 I C -1.706 174.514 176.117 0.171 0.000 1.109 30 I CA -2.209 59.164 61.300 0.121 0.000 1.412 30 I CB 0.304 38.377 38.000 0.121 0.000 1.396 30 I HN -0.039 nan 8.210 nan 0.000 0.543 31 P HA 0.264 nan 4.420 nan 0.000 0.275 31 P C 0.031 177.356 177.300 0.042 0.000 1.276 31 P CA -0.192 62.947 63.100 0.066 0.000 0.782 31 P CB 0.454 32.180 31.700 0.042 0.000 0.851 32 R N 1.711 122.196 120.500 -0.025 0.000 3.701 32 R HA -0.188 4.152 4.340 -0.000 0.000 0.350 32 R C 0.886 177.096 176.300 -0.149 0.000 1.134 32 R CA 0.421 56.443 56.100 -0.129 0.000 0.884 32 R CB -2.442 27.820 30.300 -0.064 0.000 1.505 32 R HN 0.611 nan 8.270 nan 0.000 0.500 33 Y N -1.058 119.191 120.300 -0.084 0.000 2.298 33 Y HA -0.191 4.359 4.550 -0.000 0.000 0.287 33 Y C 2.044 177.871 175.900 -0.120 0.000 1.164 33 Y CA 1.699 59.747 58.100 -0.086 0.000 1.229 33 Y CB -0.988 37.412 38.460 -0.101 0.000 0.977 33 Y HN 0.068 nan 8.280 nan 0.000 0.538 34 T N -2.138 112.093 114.554 -0.537 0.000 2.962 34 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 34 T C 1.682 176.343 174.700 -0.064 0.000 1.088 34 T CA 1.216 63.136 62.100 -0.299 0.000 1.127 34 T CB -0.414 68.224 68.868 -0.384 0.000 0.883 34 T HN 0.425 nan 8.240 nan 0.000 0.493 35 S N 0.411 116.065 115.700 -0.076 0.000 2.528 35 S HA 0.340 4.810 4.470 -0.000 0.000 0.219 35 S C 0.724 175.334 174.600 0.015 0.000 0.985 35 S CA -0.015 58.168 58.200 -0.027 0.000 0.914 35 S CB -0.244 62.930 63.200 -0.045 0.000 0.776 35 S HN 0.474 nan 8.310 nan 0.000 0.526 36 M N 1.831 121.459 119.600 0.046 0.000 2.235 36 M HA 0.248 4.728 4.480 -0.000 0.000 0.351 36 M C 0.391 176.735 176.300 0.074 0.000 1.178 36 M CA -0.193 55.145 55.300 0.064 0.000 1.143 36 M CB 0.676 33.333 32.600 0.095 0.000 1.530 36 M HN 0.021 nan 8.290 nan 0.000 0.461 37 R N 2.168 122.693 120.500 0.042 0.000 2.522 37 R HA -0.030 4.310 4.340 -0.000 0.000 0.284 37 R C 1.132 177.455 176.300 0.038 0.000 1.032 37 R CA 0.338 56.455 56.100 0.029 0.000 1.049 37 R CB 0.578 30.877 30.300 -0.002 0.000 0.956 37 R HN 0.683 nan 8.270 nan 0.000 0.422 38 K N 3.370 123.794 120.400 0.040 0.000 2.032 38 K HA -0.331 3.989 4.320 -0.000 0.000 0.218 38 K C 1.880 178.497 176.600 0.028 0.000 1.054 38 K CA 2.348 58.660 56.287 0.042 0.000 0.941 38 K CB -0.108 32.400 32.500 0.013 0.000 0.720 38 K HN 0.500 nan 8.250 nan 0.000 0.449 39 R N 1.093 121.586 120.500 -0.012 0.000 2.096 39 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 39 R C 1.653 177.915 176.300 -0.065 0.000 1.139 39 R CA 2.426 58.496 56.100 -0.050 0.000 0.952 39 R CB -0.756 29.470 30.300 -0.123 0.000 0.854 39 R HN 0.384 nan 8.270 nan 0.000 0.436 40 D N -0.043 120.317 120.400 -0.066 0.000 2.106 40 D HA -0.188 4.452 4.640 -0.000 0.000 0.191 40 D C 1.780 178.132 176.300 0.086 0.000 0.997 40 D CA 1.487 55.478 54.000 -0.014 0.000 0.834 40 D CB -0.446 40.353 40.800 -0.001 0.000 0.956 40 D HN 0.199 nan 8.370 nan 0.000 0.448 41 L N 0.729 122.008 121.223 0.093 0.000 2.042 41 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 41 L C 2.071 179.011 176.870 0.117 0.000 1.076 41 L CA 1.456 56.369 54.840 0.123 0.000 0.749 41 L CB -0.578 41.574 42.059 0.156 0.000 0.893 41 L HN 0.085 nan 8.230 nan 0.000 0.432 42 I N -1.565 119.078 120.570 0.120 0.000 2.226 42 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 42 I C 2.210 178.465 176.117 0.229 0.000 1.100 42 I CA 1.118 62.491 61.300 0.122 0.000 1.374 42 I CB -0.370 37.711 38.000 0.135 0.000 1.057 42 I HN 0.189 nan 8.210 nan 0.000 0.413 43 F N 1.097 121.046 119.950 -0.002 0.000 2.134 43 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 43 F C 2.631 178.446 175.800 0.024 0.000 1.097 43 F CA 1.167 59.173 58.000 0.011 0.000 1.264 43 F CB -1.168 37.841 39.000 0.015 0.000 1.001 43 F HN 0.014 nan 8.300 nan 0.000 0.479 44 A N 0.151 123.095 122.820 0.206 0.000 1.908 44 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 44 A C 2.335 179.977 177.584 0.096 0.000 1.181 44 A CA 1.689 53.804 52.037 0.131 0.000 0.627 44 A CB -1.143 17.929 19.000 0.119 0.000 0.818 44 A HN 0.363 nan 8.150 nan 0.000 0.445 45 I N -0.330 120.282 120.570 0.070 0.000 2.208 45 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 45 I C 2.336 178.498 176.117 0.075 0.000 1.097 45 I CA 1.273 62.596 61.300 0.038 0.000 1.363 45 I CB -0.225 37.732 38.000 -0.072 0.000 1.051 45 I HN 0.314 nan 8.210 nan 0.000 0.413 46 L N 0.176 121.418 121.223 0.033 0.000 2.141 46 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 46 L C 2.485 179.397 176.870 0.070 0.000 1.094 46 L CA 1.183 56.057 54.840 0.056 0.000 0.763 46 L CB -0.543 41.472 42.059 -0.074 0.000 0.908 46 L HN 0.201 nan 8.230 nan 0.000 0.437 47 K N 0.519 120.947 120.400 0.047 0.000 2.365 47 K HA -0.100 4.219 4.320 -0.000 0.000 0.199 47 K C 2.098 178.743 176.600 0.075 0.000 1.045 47 K CA 0.804 57.118 56.287 0.045 0.000 0.962 47 K CB 0.057 32.588 32.500 0.052 0.000 0.759 47 K HN 0.259 nan 8.250 nan 0.000 0.469 48 A N 1.249 124.143 122.820 0.123 0.000 1.917 48 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 48 A C 2.019 179.687 177.584 0.139 0.000 1.182 48 A CA 1.767 53.896 52.037 0.154 0.000 0.633 48 A CB -0.635 18.496 19.000 0.217 0.000 0.819 48 A HN 0.522 nan 8.150 nan 0.000 0.448 49 Q N -0.691 119.199 119.800 0.150 0.000 2.103 49 Q HA -0.237 4.103 4.340 -0.000 0.000 0.213 49 Q C 1.712 177.618 176.000 -0.156 0.000 1.008 49 Q CA 2.649 58.386 55.803 -0.110 0.000 0.879 49 Q CB -0.303 28.369 28.738 -0.110 0.000 0.946 49 Q HN 0.770 nan 8.270 nan 0.000 0.413 50 T N -2.629 111.887 114.554 -0.062 0.000 3.251 50 T HA 0.257 4.607 4.350 -0.000 0.000 0.259 50 T C 0.020 174.708 174.700 -0.020 0.000 0.998 50 T CA -0.340 61.726 62.100 -0.056 0.000 0.905 50 T CB 0.283 69.127 68.868 -0.041 0.000 1.067 50 T HN 0.222 nan 8.240 nan 0.000 0.569 51 E N 0.518 120.718 120.200 0.000 0.000 2.808 51 E HA 0.543 4.893 4.350 -0.000 0.000 0.213 51 E C -0.505 176.104 176.600 0.016 0.000 0.784 51 E CA -1.091 55.319 56.400 0.018 0.000 1.154 51 E CB 0.890 30.615 29.700 0.042 0.000 1.693 51 E HN 0.054 nan 8.360 nan 0.000 0.422 52 S N 0.172 115.890 115.700 0.031 0.000 2.143 52 S HA 0.130 4.600 4.470 -0.000 0.000 0.188 52 S C 0.074 174.706 174.600 0.053 0.000 1.431 52 S CA -0.178 58.038 58.200 0.027 0.000 1.253 52 S CB 0.459 63.670 63.200 0.018 0.000 1.137 52 S HN 0.520 nan 8.310 nan 0.000 0.457 53 T N -0.442 114.161 114.554 0.082 0.000 2.954 53 T HA 0.332 4.682 4.350 -0.000 0.000 0.252 53 T C 1.563 176.368 174.700 0.176 0.000 0.983 53 T CA 1.162 63.343 62.100 0.135 0.000 0.941 53 T CB -0.184 68.780 68.868 0.161 0.000 1.141 53 T HN 0.694 nan 8.240 nan 0.000 0.500 54 G N 0.655 109.518 108.800 0.106 0.000 2.196 54 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.268 54 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.268 54 G C -0.175 174.674 174.900 -0.085 0.000 0.975 54 G CA 0.808 45.911 45.100 0.005 0.000 0.648 54 G HN 0.622 nan 8.290 nan 0.000 0.538 55 Y N 0.047 120.456 120.300 0.181 0.000 2.350 55 Y HA 0.638 5.188 4.550 0.000 0.000 0.338 55 Y C 0.434 176.525 175.900 0.319 0.000 0.961 55 Y CA -1.120 57.104 58.100 0.206 0.000 1.100 55 Y CB 1.156 39.677 38.460 0.101 0.000 1.179 55 Y HN 0.339 nan 8.280 nan 0.000 0.454 56 F N 0.605 120.672 119.950 0.195 0.000 2.814 56 F HA 0.774 5.301 4.527 -0.000 0.000 0.353 56 F C -1.946 173.978 175.800 0.207 0.000 1.177 56 F CA -1.815 56.293 58.000 0.181 0.000 1.036 56 F CB 1.567 40.646 39.000 0.132 0.000 1.455 56 F HN 0.242 nan 8.300 nan 0.000 0.520 57 F N 1.119 121.048 119.950 -0.036 0.000 2.427 57 F HA 0.821 5.348 4.527 -0.000 0.000 0.348 57 F C -0.338 175.370 175.800 -0.152 0.000 1.125 57 F CA -0.537 57.373 58.000 -0.151 0.000 0.989 57 F CB 1.225 40.220 39.000 -0.009 0.000 1.165 57 F HN 0.837 nan 8.300 nan 0.000 0.442 58 G N 4.424 112.657 108.800 -0.945 0.000 2.766 58 G HA2 0.654 4.614 3.960 -0.000 0.000 0.288 58 G HA3 0.654 4.614 3.960 -0.000 0.000 0.288 58 G C -1.933 172.609 174.900 -0.596 0.000 1.408 58 G CA -0.860 43.899 45.100 -0.570 0.000 0.852 58 G HN 0.755 nan 8.290 nan 0.000 0.487 59 E N -1.936 118.087 120.200 -0.295 0.000 2.437 59 E HA 0.728 5.078 4.350 -0.000 0.000 0.280 59 E C -0.368 176.157 176.600 -0.124 0.000 1.044 59 E CA -0.865 55.403 56.400 -0.220 0.000 0.826 59 E CB 1.717 31.335 29.700 -0.137 0.000 1.358 59 E HN 1.439 nan 8.360 nan 0.000 0.459 60 G N -0.325 108.408 108.800 -0.111 0.000 2.427 60 G HA2 0.452 4.412 3.960 -0.000 0.000 0.306 60 G HA3 0.452 4.412 3.960 -0.000 0.000 0.306 60 G C -1.631 173.216 174.900 -0.089 0.000 1.280 60 G CA -0.178 44.878 45.100 -0.074 0.000 0.837 60 G HN 0.968 nan 8.290 nan 0.000 0.482 61 V N 0.452 120.328 119.914 -0.063 0.000 2.448 61 V HA 0.713 4.833 4.120 -0.000 0.000 0.295 61 V C 0.144 176.211 176.094 -0.045 0.000 1.025 61 V CA -0.955 61.298 62.300 -0.079 0.000 0.859 61 V CB 1.033 32.803 31.823 -0.088 0.000 0.988 61 V HN 0.869 nan 8.190 nan 0.000 0.431 62 L N 5.495 126.680 121.223 -0.064 0.000 2.534 62 L HA 0.309 4.649 4.340 -0.000 0.000 0.271 62 L C 0.311 177.175 176.870 -0.010 0.000 1.178 62 L CA 0.407 55.227 54.840 -0.033 0.000 0.907 62 L CB 0.443 42.464 42.059 -0.065 0.000 1.164 62 L HN 0.751 nan 8.230 nan 0.000 0.482 63 E N 6.208 126.437 120.200 0.048 0.000 2.113 63 E HA 0.327 4.677 4.350 -0.000 0.000 0.273 63 E C -0.559 176.084 176.600 0.071 0.000 0.924 63 E CA -0.533 55.884 56.400 0.029 0.000 0.764 63 E CB 1.959 31.681 29.700 0.036 0.000 1.104 63 E HN 0.516 nan 8.360 nan 0.000 0.406 64 I N 4.234 124.800 120.570 -0.006 0.000 2.312 64 I HA 0.096 4.266 4.170 -0.000 0.000 0.291 64 I C 0.882 176.954 176.117 -0.074 0.000 1.031 64 I CA -0.330 60.961 61.300 -0.014 0.000 1.293 64 I CB 0.472 38.446 38.000 -0.044 0.000 1.403 64 I HN 0.277 nan 8.210 nan 0.000 0.484 65 H N 7.378 126.295 119.070 -0.256 0.000 2.615 65 H HA 0.095 4.651 4.556 -0.000 0.000 0.363 65 H C -1.460 173.666 175.328 -0.338 0.000 1.148 65 H CA -1.373 54.472 56.048 -0.338 0.000 1.401 65 H CB 0.994 30.363 29.762 -0.655 0.000 1.461 65 H HN 0.367 nan 8.280 nan 0.000 0.588 66 P HA -0.184 nan 4.420 nan 0.000 0.217 66 P C 0.786 178.024 177.300 -0.103 0.000 1.151 66 P CA 1.389 64.437 63.100 -0.086 0.000 0.849 66 P CB 0.273 31.950 31.700 -0.038 0.000 0.787 67 E N -1.705 118.392 120.200 -0.171 0.000 2.478 67 E HA 0.130 4.480 4.350 -0.000 0.000 0.198 67 E C 1.502 178.047 176.600 -0.093 0.000 1.046 67 E CA 0.963 57.312 56.400 -0.084 0.000 0.870 67 E CB -0.952 28.798 29.700 0.084 0.000 0.818 67 E HN 0.258 nan 8.360 nan 0.000 0.527 68 G N -0.052 108.620 108.800 -0.213 0.000 2.141 68 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.231 68 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.231 68 G C 0.037 174.900 174.900 -0.062 0.000 0.984 68 G CA 0.175 45.212 45.100 -0.104 0.000 0.660 68 G HN 0.306 nan 8.290 nan 0.000 0.525 69 F N -0.229 119.722 119.950 0.002 0.000 2.518 69 F HA 0.943 5.469 4.527 -0.000 0.000 0.338 69 F C 0.540 176.277 175.800 -0.104 0.000 1.065 69 F CA -1.554 56.379 58.000 -0.112 0.000 1.012 69 F CB 1.169 40.114 39.000 -0.092 0.000 1.297 69 F HN 0.455 nan 8.300 nan 0.000 0.489 70 G N -0.194 108.596 108.800 -0.017 0.000 2.672 70 G HA2 0.662 4.622 3.960 -0.000 0.000 0.292 70 G HA3 0.662 4.622 3.960 -0.000 0.000 0.292 70 G C -2.406 172.347 174.900 -0.246 0.000 1.375 70 G CA -0.893 44.213 45.100 0.010 0.000 0.890 70 G HN 0.554 nan 8.290 nan 0.000 0.476 71 F N -0.705 119.355 119.950 0.184 0.000 2.577 71 F HA 0.580 5.107 4.527 0.000 0.000 0.318 71 F C 0.136 175.978 175.800 0.069 0.000 1.065 71 F CA -0.793 57.292 58.000 0.142 0.000 0.929 71 F CB 2.424 41.553 39.000 0.215 0.000 1.237 71 F HN 0.084 nan 8.300 nan 0.000 0.468 72 L N 4.078 125.430 121.223 0.215 0.000 2.257 72 L HA 0.474 4.814 4.340 -0.000 0.000 0.290 72 L C -0.047 176.883 176.870 0.100 0.000 1.044 72 L CA -0.912 53.981 54.840 0.088 0.000 0.810 72 L CB 0.593 42.656 42.059 0.007 0.000 1.193 72 L HN 0.466 nan 8.230 nan 0.000 0.425 73 R N 3.544 124.084 120.500 0.067 0.000 2.637 73 R HA 0.435 4.775 4.340 -0.000 0.000 0.269 73 R C -0.229 176.071 176.300 0.000 0.000 1.089 73 R CA -0.488 55.634 56.100 0.036 0.000 1.177 73 R CB 0.516 30.829 30.300 0.022 0.000 1.091 73 R HN 0.476 nan 8.270 nan 0.000 0.540 74 R N 1.975 122.469 120.500 -0.010 0.000 2.534 74 R HA 0.328 4.668 4.340 -0.000 0.000 0.301 74 R C 1.141 177.430 176.300 -0.018 0.000 0.961 74 R CA -0.874 55.212 56.100 -0.023 0.000 0.871 74 R CB 1.166 31.444 30.300 -0.038 0.000 1.170 74 R HN 0.380 nan 8.270 nan 0.000 0.446 75 I N 2.178 122.738 120.570 -0.015 0.000 2.248 75 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 75 I C 1.434 177.544 176.117 -0.011 0.000 1.107 75 I CA 1.608 62.902 61.300 -0.010 0.000 1.373 75 I CB -0.658 37.340 38.000 -0.003 0.000 1.055 75 I HN 0.585 nan 8.210 nan 0.000 0.418 76 E N 0.770 120.961 120.200 -0.015 0.000 2.209 76 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 76 E C 0.905 177.495 176.600 -0.016 0.000 0.993 76 E CA 1.068 57.458 56.400 -0.016 0.000 0.819 76 E CB -0.187 29.500 29.700 -0.022 0.000 0.745 76 E HN 0.488 nan 8.360 nan 0.000 0.477 77 D N -0.322 120.068 120.400 -0.017 0.000 2.462 77 D HA 0.101 4.741 4.640 -0.000 0.000 0.221 77 D C -0.177 176.115 176.300 -0.013 0.000 1.173 77 D CA -0.101 53.890 54.000 -0.015 0.000 0.831 77 D CB 0.177 40.966 40.800 -0.018 0.000 1.001 77 D HN 0.091 nan 8.370 nan 0.000 0.499 78 N N 0.818 119.511 118.700 -0.012 0.000 2.717 78 N HA -0.254 4.486 4.740 -0.000 0.000 0.248 78 N C 0.623 176.126 175.510 -0.012 0.000 1.099 78 N CA 0.830 53.873 53.050 -0.011 0.000 0.843 78 N CB -0.903 37.578 38.487 -0.011 0.000 1.155 78 N HN 0.379 nan 8.380 nan 0.000 0.580 79 L N -2.120 119.095 121.223 -0.012 0.000 4.609 79 L HA -0.203 4.137 4.340 -0.000 0.000 0.396 79 L C -0.298 176.565 176.870 -0.012 0.000 1.028 79 L CA 0.190 55.024 54.840 -0.011 0.000 1.232 79 L CB -1.279 40.773 42.059 -0.011 0.000 2.071 79 L HN 0.312 nan 8.230 nan 0.000 0.613 80 L N -1.975 119.238 121.223 -0.016 0.000 3.040 80 L HA -0.136 4.204 4.340 -0.000 0.000 0.594 80 L C -1.903 174.957 176.870 -0.015 0.000 1.002 80 L CA -0.293 54.537 54.840 -0.016 0.000 1.305 80 L CB -0.999 41.050 42.059 -0.016 0.000 1.539 80 L HN 0.002 nan 8.230 nan 0.000 0.746 81 P HA 0.187 nan 4.420 nan 0.000 0.264 81 P C -0.299 176.983 177.300 -0.030 0.000 1.193 81 P CA 0.283 63.363 63.100 -0.033 0.000 0.763 81 P CB 1.062 32.740 31.700 -0.036 0.000 0.810 82 S N 1.345 117.023 115.700 -0.037 0.000 2.727 82 S HA 0.340 4.810 4.470 -0.000 0.000 0.278 82 S C -1.050 173.533 174.600 -0.028 0.000 1.186 82 S CA -1.251 56.941 58.200 -0.014 0.000 0.836 82 S CB -0.002 63.201 63.200 0.005 0.000 1.186 82 S HN 0.250 nan 8.310 nan 0.000 0.499 83 N N 3.016 121.743 118.700 0.045 0.000 1.807 83 N HA -0.033 4.707 4.740 -0.000 0.000 0.325 83 N C -0.483 175.091 175.510 0.105 0.000 1.287 83 N CA 0.823 53.972 53.050 0.165 0.000 0.790 83 N CB -0.154 38.478 38.487 0.241 0.000 1.020 83 N HN 0.713 nan 8.380 nan 0.000 0.505 84 D N 0.128 120.572 120.400 0.074 0.000 2.994 84 D HA 0.078 4.718 4.640 -0.000 0.000 0.240 84 D C -0.469 175.741 176.300 -0.150 0.000 1.195 84 D CA -0.376 53.633 54.000 0.014 0.000 0.957 84 D CB -0.307 40.309 40.800 -0.306 0.000 1.105 84 D HN 0.236 nan 8.370 nan 0.000 0.477 85 D N 0.289 120.732 120.400 0.072 0.000 2.377 85 D HA 0.298 4.938 4.640 -0.000 0.000 0.245 85 D C 0.539 177.020 176.300 0.301 0.000 1.196 85 D CA -0.198 53.882 54.000 0.132 0.000 0.962 85 D CB 1.232 42.128 40.800 0.159 0.000 1.127 85 D HN 0.242 nan 8.370 nan 0.000 0.471 86 I N 1.324 122.080 120.570 0.310 0.000 2.406 86 I HA 0.121 4.291 4.170 -0.000 0.000 0.290 86 I C -0.458 175.841 176.117 0.304 0.000 0.999 86 I CA -1.077 60.409 61.300 0.310 0.000 1.124 86 I CB 1.242 39.304 38.000 0.103 0.000 1.289 86 I HN 0.235 nan 8.210 nan 0.000 0.441 87 Y N 7.578 127.967 120.300 0.148 0.000 2.425 87 Y HA 0.349 4.899 4.550 -0.000 0.000 0.331 87 Y C -0.500 175.278 175.900 -0.202 0.000 1.157 87 Y CA -0.038 57.876 58.100 -0.310 0.000 1.372 87 Y CB 0.510 38.815 38.460 -0.259 0.000 1.253 87 Y HN 0.285 nan 8.280 nan 0.000 0.536 88 I N 6.260 126.226 120.570 -1.005 0.000 2.465 88 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 88 I C -0.037 175.526 176.117 -0.922 0.000 1.014 88 I CA -0.575 60.302 61.300 -0.706 0.000 1.093 88 I CB 1.492 39.280 38.000 -0.352 0.000 1.267 88 I HN 0.743 nan 8.210 nan 0.000 0.431 89 S N 6.720 122.083 115.700 -0.560 0.000 2.669 89 S HA 0.492 4.962 4.470 -0.000 0.000 0.270 89 S C -2.059 172.474 174.600 -0.112 0.000 1.225 89 S CA -0.992 57.020 58.200 -0.313 0.000 0.991 89 S CB 1.565 64.735 63.200 -0.050 0.000 0.987 89 S HN 0.402 nan 8.310 nan 0.000 0.552 90 P HA 0.001 nan 4.420 nan 0.000 0.220 90 P C 1.780 179.101 177.300 0.035 0.000 1.152 90 P CA 1.044 64.164 63.100 0.033 0.000 0.812 90 P CB -0.147 31.597 31.700 0.074 0.000 0.792 91 S N -0.339 115.387 115.700 0.043 0.000 2.365 91 S HA -0.296 4.174 4.470 -0.000 0.000 0.225 91 S C 2.018 176.671 174.600 0.088 0.000 1.039 91 S CA 1.673 59.906 58.200 0.055 0.000 1.033 91 S CB -0.807 62.429 63.200 0.061 0.000 0.887 91 S HN 0.160 nan 8.310 nan 0.000 0.447 92 Q N 0.098 119.956 119.800 0.097 0.000 2.046 92 Q HA -0.014 4.326 4.340 -0.000 0.000 0.200 92 Q C 2.324 178.447 176.000 0.205 0.000 0.975 92 Q CA 1.795 57.715 55.803 0.195 0.000 0.836 92 Q CB -0.317 28.451 28.738 0.051 0.000 0.896 92 Q HN 0.593 nan 8.270 nan 0.000 0.428 93 I N 0.474 121.088 120.570 0.074 0.000 2.208 93 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 93 I C 2.443 178.607 176.117 0.079 0.000 1.097 93 I CA 1.300 62.635 61.300 0.058 0.000 1.363 93 I CB -0.235 37.768 38.000 0.004 0.000 1.051 93 I HN 0.183 nan 8.210 nan 0.000 0.413 94 R N 0.743 121.280 120.500 0.062 0.000 2.055 94 R HA -0.161 4.179 4.340 -0.000 0.000 0.228 94 R C 2.368 178.683 176.300 0.025 0.000 1.143 94 R CA 1.359 57.482 56.100 0.038 0.000 0.945 94 R CB -0.411 29.903 30.300 0.023 0.000 0.841 94 R HN 0.279 nan 8.270 nan 0.000 0.429 95 K N 0.508 120.915 120.400 0.011 0.000 2.103 95 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 95 K C 1.299 177.756 176.600 -0.239 0.000 1.048 95 K CA 1.526 57.734 56.287 -0.131 0.000 0.930 95 K CB -0.043 32.334 32.500 -0.205 0.000 0.716 95 K HN 0.071 nan 8.250 nan 0.000 0.444 96 F N 1.009 120.965 119.950 0.009 0.000 2.765 96 F HA 0.177 4.704 4.527 -0.000 0.000 0.302 96 F C 0.348 176.165 175.800 0.028 0.000 1.111 96 F CA 0.225 58.237 58.000 0.020 0.000 1.359 96 F CB -0.266 38.743 39.000 0.015 0.000 1.097 96 F HN 0.220 nan 8.300 nan 0.000 0.577 97 N N 1.589 120.373 118.700 0.140 0.000 2.738 97 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 97 N C -0.535 175.042 175.510 0.113 0.000 1.047 97 N CA -0.352 52.758 53.050 0.099 0.000 0.707 97 N CB -0.851 37.684 38.487 0.080 0.000 0.937 97 N HN 0.240 nan 8.380 nan 0.000 0.545 98 L N 0.341 121.625 121.223 0.103 0.000 2.439 98 L HA 0.389 4.729 4.340 -0.000 0.000 0.261 98 L C 0.765 177.650 176.870 0.025 0.000 1.153 98 L CA -0.249 54.626 54.840 0.058 0.000 0.808 98 L CB 0.770 42.843 42.059 0.022 0.000 1.126 98 L HN 0.220 nan 8.230 nan 0.000 0.460 99 N N -0.717 117.982 118.700 -0.002 0.000 2.321 99 N HA 0.276 5.016 4.740 -0.000 0.000 0.290 99 N C -1.063 174.423 175.510 -0.040 0.000 1.212 99 N CA -0.632 52.411 53.050 -0.011 0.000 0.767 99 N CB 2.102 40.592 38.487 0.005 0.000 1.494 99 N HN 0.497 nan 8.380 nan 0.000 0.479 100 T N 0.400 114.931 114.554 -0.038 0.000 2.905 100 T HA 0.220 4.570 4.350 -0.000 0.000 0.299 100 T C 1.304 175.963 174.700 -0.068 0.000 1.024 100 T CA 1.565 63.635 62.100 -0.050 0.000 1.151 100 T CB 0.275 69.115 68.868 -0.047 0.000 0.987 100 T HN 0.849 nan 8.240 nan 0.000 0.535 101 G N 3.432 112.183 108.800 -0.082 0.000 2.308 101 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.221 101 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.221 101 G C -0.073 174.734 174.900 -0.154 0.000 1.032 101 G CA -0.264 44.771 45.100 -0.109 0.000 0.623 101 G HN 0.685 nan 8.290 nan 0.000 0.506 102 D N 1.113 121.412 120.400 -0.167 0.000 2.525 102 D HA 0.288 4.928 4.640 -0.000 0.000 0.235 102 D C 0.935 177.079 176.300 -0.259 0.000 1.137 102 D CA 0.501 54.352 54.000 -0.247 0.000 0.868 102 D CB 0.531 41.203 40.800 -0.214 0.000 1.180 102 D HN 0.431 nan 8.370 nan 0.000 0.465 103 I N 3.680 124.030 120.570 -0.366 0.000 2.312 103 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 103 I C 0.085 176.010 176.117 -0.319 0.000 1.031 103 I CA -0.514 60.569 61.300 -0.361 0.000 1.293 103 I CB 0.702 38.356 38.000 -0.576 0.000 1.403 103 I HN 0.023 nan 8.210 nan 0.000 0.484 104 I N 5.360 125.790 120.570 -0.234 0.000 2.378 104 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 104 I C 0.026 176.012 176.117 -0.217 0.000 0.992 104 I CA -0.222 60.945 61.300 -0.221 0.000 1.154 104 I CB 1.436 39.307 38.000 -0.214 0.000 1.315 104 I HN 0.462 nan 8.210 nan 0.000 0.448 105 S N 3.605 119.181 115.700 -0.207 0.000 2.532 105 S HA 0.979 5.449 4.470 -0.000 0.000 0.301 105 S C 0.195 174.607 174.600 -0.313 0.000 1.083 105 S CA -0.670 57.356 58.200 -0.289 0.000 1.025 105 S CB 2.670 65.799 63.200 -0.118 0.000 1.056 105 S HN 1.058 nan 8.310 nan 0.000 0.494 106 G N -0.172 108.305 108.800 -0.539 0.000 2.320 106 G HA2 0.402 4.362 3.960 -0.000 0.000 0.296 106 G HA3 0.402 4.362 3.960 -0.000 0.000 0.296 106 G C -1.591 173.112 174.900 -0.329 0.000 1.306 106 G CA -0.322 44.594 45.100 -0.306 0.000 0.836 106 G HN 1.007 nan 8.290 nan 0.000 0.517 107 V N 0.579 120.427 119.914 -0.111 0.000 2.432 107 V HA 0.740 4.860 4.120 -0.000 0.000 0.271 107 V C -0.229 175.793 176.094 -0.121 0.000 1.046 107 V CA -0.516 61.746 62.300 -0.064 0.000 0.945 107 V CB 0.006 31.878 31.823 0.082 0.000 0.992 107 V HN 0.551 nan 8.190 nan 0.000 0.471 108 I N 7.086 127.468 120.570 -0.314 0.000 2.404 108 I HA 0.531 4.701 4.170 -0.000 0.000 0.293 108 I C 0.242 176.289 176.117 -0.116 0.000 0.992 108 I CA -0.737 60.384 61.300 -0.300 0.000 1.149 108 I CB 1.729 39.325 38.000 -0.674 0.000 1.315 108 I HN 0.703 nan 8.210 nan 0.000 0.446 109 R N 6.379 126.812 120.500 -0.111 0.000 2.340 109 R HA 0.326 4.666 4.340 -0.000 0.000 0.300 109 R C -0.579 175.647 176.300 -0.123 0.000 1.069 109 R CA -0.361 55.532 56.100 -0.346 0.000 0.984 109 R CB 0.797 30.850 30.300 -0.412 0.000 1.003 109 R HN 0.514 nan 8.270 nan 0.000 0.459 110 K N 4.436 124.746 120.400 -0.150 0.000 2.120 110 K HA 0.243 4.563 4.320 -0.000 0.000 0.245 110 K C -2.286 174.033 176.600 -0.468 0.000 1.024 110 K CA -1.755 54.394 56.287 -0.231 0.000 0.906 110 K CB 0.489 32.900 32.500 -0.149 0.000 1.051 110 K HN 0.474 nan 8.250 nan 0.000 0.491 111 P HA -0.063 nan 4.420 nan 0.000 0.258 111 P C -0.951 176.154 177.300 -0.326 0.000 1.187 111 P CA 0.581 63.374 63.100 -0.511 0.000 0.767 111 P CB 0.403 31.805 31.700 -0.497 0.000 0.770 112 K N 2.477 122.703 120.400 -0.290 0.000 2.123 112 K HA 0.217 4.536 4.320 -0.000 0.000 0.248 112 K C 0.454 176.967 176.600 -0.144 0.000 0.969 112 K CA -0.537 55.633 56.287 -0.196 0.000 0.882 112 K CB 0.967 33.351 32.500 -0.194 0.000 1.080 112 K HN 0.318 nan 8.250 nan 0.000 0.441 113 E N 1.206 121.347 120.200 -0.098 0.000 2.585 113 E HA 0.167 4.517 4.350 -0.000 0.000 0.206 113 E C 0.114 176.685 176.600 -0.049 0.000 1.007 113 E CA 0.117 56.475 56.400 -0.071 0.000 1.028 113 E CB 0.158 29.822 29.700 -0.060 0.000 1.087 113 E HN 0.914 nan 8.360 nan 0.000 0.455 114 G N 1.281 110.053 108.800 -0.047 0.000 2.464 114 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 114 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 114 G C -0.990 173.870 174.900 -0.067 0.000 1.186 114 G CA -0.389 44.671 45.100 -0.068 0.000 1.010 114 G HN 0.267 nan 8.290 nan 0.000 0.585 115 E N 0.634 120.759 120.200 -0.125 0.000 2.409 115 E HA 0.482 4.832 4.350 -0.000 0.000 0.259 115 E C -0.517 175.895 176.600 -0.313 0.000 0.932 115 E CA -0.572 55.755 56.400 -0.123 0.000 0.809 115 E CB 1.655 31.269 29.700 -0.143 0.000 1.341 115 E HN 0.675 nan 8.360 nan 0.000 0.405 116 K N 3.748 124.082 120.400 -0.109 0.000 2.701 116 K HA 0.128 4.448 4.320 -0.000 0.000 0.212 116 K C -0.432 176.196 176.600 0.048 0.000 1.035 116 K CA -0.807 55.381 56.287 -0.165 0.000 1.048 116 K CB 0.395 32.813 32.500 -0.136 0.000 1.234 116 K HN 0.483 nan 8.250 nan 0.000 0.540 117 Y N 0.846 121.093 120.300 -0.090 0.000 3.397 117 Y HA -0.211 4.339 4.550 -0.000 0.000 0.365 117 Y C -1.250 174.561 175.900 -0.148 0.000 1.194 117 Y CA 0.132 58.201 58.100 -0.052 0.000 1.476 117 Y CB -0.484 38.012 38.460 0.061 0.000 1.110 117 Y HN 0.347 nan 8.280 nan 0.000 0.630 118 F N 2.240 122.281 119.950 0.151 0.000 2.411 118 F HA 0.621 5.147 4.527 -0.000 0.000 0.355 118 F C 0.637 176.556 175.800 0.198 0.000 1.117 118 F CA 0.046 58.103 58.000 0.095 0.000 1.139 118 F CB 0.837 39.957 39.000 0.199 0.000 1.120 118 F HN 0.828 nan 8.300 nan 0.000 0.493 119 A N 4.414 127.335 122.820 0.168 0.000 2.337 119 A HA 0.705 5.025 4.320 -0.000 0.000 0.329 119 A C -0.649 177.008 177.584 0.121 0.000 1.146 119 A CA -0.853 51.334 52.037 0.249 0.000 0.800 119 A CB 1.047 20.166 19.000 0.198 0.000 1.220 119 A HN 0.741 nan 8.150 nan 0.000 0.472 120 M N 3.834 123.490 119.600 0.093 0.000 2.201 120 M HA 0.318 4.798 4.480 -0.000 0.000 0.345 120 M C 0.182 176.491 176.300 0.015 0.000 1.352 120 M CA -0.452 54.840 55.300 -0.014 0.000 1.218 120 M CB -0.250 32.301 32.600 -0.082 0.000 1.512 120 M HN 0.683 nan 8.290 nan 0.000 0.447 121 I N 1.684 122.274 120.570 0.032 0.000 3.427 121 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 121 I C -0.037 176.114 176.117 0.057 0.000 1.249 121 I CA 0.486 61.832 61.300 0.076 0.000 1.421 121 I CB -0.074 38.012 38.000 0.143 0.000 1.086 121 I HN 0.600 nan 8.210 nan 0.000 0.448 122 K N 1.303 121.712 120.400 0.014 0.000 2.656 122 K HA 0.496 4.816 4.320 -0.000 0.000 0.253 122 K C -1.525 175.037 176.600 -0.063 0.000 1.002 122 K CA -0.410 55.881 56.287 0.007 0.000 0.880 122 K CB 0.864 33.388 32.500 0.039 0.000 1.232 122 K HN 0.250 nan 8.250 nan 0.000 0.456 123 I N 4.955 125.442 120.570 -0.138 0.000 2.396 123 I HA 0.127 4.297 4.170 -0.000 0.000 0.289 123 I C 0.819 176.857 176.117 -0.132 0.000 1.056 123 I CA -0.132 61.015 61.300 -0.255 0.000 1.365 123 I CB 1.189 38.813 38.000 -0.627 0.000 1.407 123 I HN 0.714 nan 8.210 nan 0.000 0.509 124 E N 4.990 125.154 120.200 -0.061 0.000 2.290 124 E HA 0.285 4.635 4.350 -0.000 0.000 0.199 124 E C 0.222 176.863 176.600 0.068 0.000 0.912 124 E CA 0.273 56.703 56.400 0.050 0.000 0.924 124 E CB 0.764 30.558 29.700 0.157 0.000 0.901 124 E HN 0.660 nan 8.360 nan 0.000 0.487 125 A N 1.004 123.844 122.820 0.034 0.000 2.515 125 A HA 0.712 5.032 4.320 -0.000 0.000 0.298 125 A C -1.061 176.507 177.584 -0.026 0.000 1.059 125 A CA -0.620 51.456 52.037 0.066 0.000 0.698 125 A CB 1.243 20.339 19.000 0.161 0.000 1.289 125 A HN 0.046 nan 8.150 nan 0.000 0.404 126 I N 1.937 122.508 120.570 0.001 0.000 2.418 126 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 126 I C -0.251 175.728 176.117 -0.230 0.000 1.008 126 I CA -0.719 60.508 61.300 -0.123 0.000 1.104 126 I CB 1.568 39.554 38.000 -0.023 0.000 1.264 126 I HN 0.721 nan 8.210 nan 0.000 0.438 127 N N 6.576 124.985 118.700 -0.485 0.000 2.716 127 N HA -0.285 4.455 4.740 -0.000 0.000 0.250 127 N C 0.023 175.355 175.510 -0.298 0.000 1.033 127 N CA 1.339 53.989 53.050 -0.667 0.000 0.727 127 N CB -1.266 36.689 38.487 -0.886 0.000 0.950 127 N HN 0.930 nan 8.380 nan 0.000 0.541 128 Y N -4.599 115.705 120.300 0.007 0.000 4.784 128 Y HA -0.364 4.186 4.550 -0.000 0.000 0.278 128 Y C 1.035 177.059 175.900 0.206 0.000 0.980 128 Y CA 0.958 59.115 58.100 0.095 0.000 1.845 128 Y CB -1.084 37.400 38.460 0.039 0.000 1.177 128 Y HN 0.162 nan 8.280 nan 0.000 0.460 129 R N 2.001 122.729 120.500 0.381 0.000 2.254 129 R HA 0.336 4.676 4.340 -0.000 0.000 0.318 129 R C -2.362 174.084 176.300 0.243 0.000 1.031 129 R CA -1.697 54.604 56.100 0.334 0.000 0.905 129 R CB 0.422 30.967 30.300 0.409 0.000 1.050 129 R HN -0.178 nan 8.270 nan 0.000 0.456 130 P HA -0.124 nan 4.420 nan 0.000 0.269 130 P C -0.123 177.272 177.300 0.160 0.000 1.205 130 P CA 0.043 63.233 63.100 0.151 0.000 0.780 130 P CB 0.417 32.187 31.700 0.116 0.000 0.858 137 R N 2.226 122.698 120.500 -0.046 0.000 2.265 137 R HA 0.461 4.801 4.340 -0.000 0.000 0.314 137 R C -0.710 175.594 176.300 0.007 0.000 1.053 137 R CA -0.164 55.922 56.100 -0.023 0.000 0.931 137 R CB 0.955 31.316 30.300 0.103 0.000 1.024 137 R HN -0.038 nan 8.270 nan 0.000 0.457 138 V N 4.796 124.709 119.914 -0.002 0.000 2.567 138 V HA 0.120 4.240 4.120 -0.000 0.000 0.289 138 V C 0.768 176.895 176.094 0.055 0.000 1.049 138 V CA -0.771 61.536 62.300 0.012 0.000 0.969 138 V CB 1.341 33.155 31.823 -0.015 0.000 0.995 138 V HN 0.801 nan 8.190 nan 0.000 0.471 139 N N 1.718 120.452 118.700 0.057 0.000 2.518 139 N HA 0.041 4.781 4.740 -0.000 0.000 0.266 139 N C 0.903 176.483 175.510 0.117 0.000 1.196 139 N CA -0.164 52.946 53.050 0.100 0.000 0.947 139 N CB 0.788 39.326 38.487 0.085 0.000 1.098 139 N HN 0.686 nan 8.380 nan 0.000 0.450 140 F N 3.088 123.052 119.950 0.023 0.000 2.115 140 F HA -0.248 4.279 4.527 -0.000 0.000 0.300 140 F C 1.584 177.383 175.800 -0.003 0.000 1.092 140 F CA 1.709 59.716 58.000 0.011 0.000 1.245 140 F CB 0.119 39.122 39.000 0.004 0.000 0.995 140 F HN 0.550 nan 8.300 nan 0.000 0.481 141 D N -0.139 120.370 120.400 0.180 0.000 2.350 141 D HA -0.121 4.519 4.640 -0.000 0.000 0.216 141 D C 1.226 177.508 176.300 -0.030 0.000 0.968 141 D CA 0.721 54.765 54.000 0.072 0.000 0.894 141 D CB -0.385 40.485 40.800 0.116 0.000 0.909 141 D HN 0.418 nan 8.370 nan 0.000 0.520 142 N N -0.073 118.602 118.700 -0.043 0.000 2.236 142 N HA 0.088 4.827 4.740 -0.000 0.000 0.196 142 N C 0.448 175.903 175.510 -0.092 0.000 1.114 142 N CA -0.041 52.978 53.050 -0.052 0.000 0.859 142 N CB 1.138 39.612 38.487 -0.023 0.000 0.982 142 N HN 0.206 nan 8.380 nan 0.000 0.493 143 L N 1.027 122.154 121.223 -0.160 0.000 2.436 143 L HA 0.200 4.539 4.340 -0.000 0.000 0.265 143 L C 0.398 177.159 176.870 -0.181 0.000 1.168 143 L CA -0.105 54.627 54.840 -0.181 0.000 0.815 143 L CB 0.526 42.424 42.059 -0.269 0.000 1.109 143 L HN -0.100 nan 8.230 nan 0.000 0.462 144 T N 2.815 117.285 114.554 -0.141 0.000 2.729 144 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 144 T C -2.346 172.267 174.700 -0.145 0.000 0.928 144 T CA -1.166 60.861 62.100 -0.122 0.000 1.045 144 T CB 0.528 69.346 68.868 -0.084 0.000 0.902 144 T HN 0.342 nan 8.240 nan 0.000 0.500 145 P HA 0.408 nan 4.420 nan 0.000 0.275 145 P C -0.613 176.590 177.300 -0.162 0.000 1.227 145 P CA -0.091 62.905 63.100 -0.174 0.000 0.781 145 P CB 0.886 32.484 31.700 -0.171 0.000 0.906 146 D N 0.705 121.002 120.400 -0.171 0.000 2.599 146 D HA 0.288 4.928 4.640 -0.000 0.000 0.252 146 D C -0.987 175.199 176.300 -0.191 0.000 1.232 146 D CA -0.619 53.289 54.000 -0.155 0.000 0.819 146 D CB 0.751 41.517 40.800 -0.056 0.000 1.401 146 D HN 0.098 nan 8.370 nan 0.000 0.429 147 Y N 0.584 120.863 120.300 -0.035 0.000 2.550 147 Y HA 0.236 4.786 4.550 -0.000 0.000 0.343 147 Y C -1.467 174.411 175.900 -0.038 0.000 1.245 147 Y CA -0.834 57.248 58.100 -0.030 0.000 1.462 147 Y CB -0.040 38.407 38.460 -0.021 0.000 1.340 147 Y HN 0.119 nan 8.280 nan 0.000 0.604 148 P HA 0.098 nan 4.420 nan 0.000 0.266 148 P C -0.110 177.209 177.300 0.032 0.000 1.195 148 P CA 0.363 63.489 63.100 0.042 0.000 0.768 148 P CB 0.592 32.309 31.700 0.028 0.000 0.838 149 R N 0.700 121.190 120.500 -0.018 0.000 2.531 149 R HA 0.181 4.521 4.340 -0.000 0.000 0.316 149 R C -0.024 176.244 176.300 -0.054 0.000 0.955 149 R CA 0.042 56.127 56.100 -0.024 0.000 1.120 149 R CB 0.806 31.099 30.300 -0.011 0.000 1.361 149 R HN 0.487 nan 8.270 nan 0.000 0.534 150 E N 1.775 121.918 120.200 -0.095 0.000 2.222 150 E HA 0.196 4.546 4.350 -0.000 0.000 0.267 150 E C -0.780 175.705 176.600 -0.192 0.000 0.884 150 E CA -0.642 55.681 56.400 -0.128 0.000 0.764 150 E CB 2.401 32.007 29.700 -0.156 0.000 1.169 150 E HN 0.169 nan 8.360 nan 0.000 0.413 151 R N 1.124 121.538 120.500 -0.143 0.000 2.500 151 R HA 0.447 4.787 4.340 -0.000 0.000 0.275 151 R C -0.622 175.532 176.300 -0.244 0.000 1.051 151 R CA -0.456 55.562 56.100 -0.136 0.000 1.088 151 R CB 0.494 30.785 30.300 -0.015 0.000 1.063 151 R HN 0.136 nan 8.270 nan 0.000 0.511 152 F N 1.783 121.683 119.950 -0.085 0.000 2.412 152 F HA 0.345 4.872 4.527 0.000 0.000 0.348 152 F C 0.467 176.335 175.800 0.114 0.000 1.102 152 F CA -0.702 57.215 58.000 -0.138 0.000 1.196 152 F CB 1.010 39.939 39.000 -0.117 0.000 1.144 152 F HN 0.323 nan 8.300 nan 0.000 0.541 153 I N 5.570 126.488 120.570 0.580 0.000 2.291 153 I HA 0.120 4.290 4.170 -0.000 0.000 0.290 153 I C 0.645 176.938 176.117 0.294 0.000 1.050 153 I CA 0.022 61.524 61.300 0.336 0.000 1.245 153 I CB 0.896 39.034 38.000 0.230 0.000 1.405 153 I HN 0.649 nan 8.210 nan 0.000 0.478 154 L N 4.450 125.790 121.223 0.196 0.000 2.307 154 L HA 0.097 4.437 4.340 -0.000 0.000 0.211 154 L C 1.319 178.239 176.870 0.083 0.000 1.099 154 L CA 0.261 55.178 54.840 0.128 0.000 0.816 154 L CB -0.217 41.899 42.059 0.095 0.000 0.952 154 L HN 0.592 nan 8.230 nan 0.000 0.455 155 E N 1.346 121.594 120.200 0.080 0.000 2.480 155 E HA -0.052 4.298 4.350 -0.000 0.000 0.258 155 E C 0.339 176.959 176.600 0.034 0.000 0.984 155 E CA 0.654 57.085 56.400 0.052 0.000 0.930 155 E CB 0.655 30.388 29.700 0.056 0.000 0.936 155 E HN 0.297 nan 8.360 nan 0.000 0.466 156 T N 1.065 115.627 114.554 0.014 0.000 2.614 156 T HA 0.064 4.414 4.350 -0.000 0.000 0.163 156 T C 0.302 174.995 174.700 -0.012 0.000 0.806 156 T CA -0.347 61.754 62.100 0.001 0.000 1.020 156 T CB -0.340 68.525 68.868 -0.005 0.000 2.539 156 T HN 0.457 nan 8.240 nan 0.000 0.380 157 D N 3.912 124.294 120.400 -0.030 0.000 2.417 157 D HA 0.146 4.786 4.640 -0.000 0.000 0.250 157 D C -1.286 174.970 176.300 -0.073 0.000 1.166 157 D CA -1.643 52.328 54.000 -0.048 0.000 0.881 157 D CB 1.504 42.267 40.800 -0.063 0.000 1.164 157 D HN 0.075 nan 8.370 nan 0.000 0.467 158 P HA -0.166 nan 4.420 nan 0.000 0.220 158 P C 0.645 177.851 177.300 -0.156 0.000 1.144 158 P CA 1.025 64.101 63.100 -0.041 0.000 0.800 158 P CB 0.339 32.042 31.700 0.005 0.000 0.772 159 K N -0.747 119.483 120.400 -0.284 0.000 2.404 159 K HA 0.187 4.507 4.320 -0.000 0.000 0.194 159 K C 0.971 177.069 176.600 -0.837 0.000 1.023 159 K CA -0.198 55.702 56.287 -0.646 0.000 1.094 159 K CB 0.083 32.377 32.500 -0.343 0.000 0.841 159 K HN 0.315 nan 8.250 nan 0.000 0.523 160 I N 2.375 122.681 120.570 -0.440 0.000 2.243 160 I HA 0.011 4.180 4.170 -0.000 0.000 0.297 160 I C 0.572 176.586 176.117 -0.171 0.000 1.161 160 I CA -0.331 60.805 61.300 -0.273 0.000 1.298 160 I CB -0.087 37.840 38.000 -0.122 0.000 1.475 160 I HN -0.040 nan 8.210 nan 0.000 0.561 161 Y N 2.443 122.745 120.300 0.004 0.000 2.242 161 Y HA -0.246 4.303 4.550 -0.000 0.000 0.291 161 Y C 2.783 178.686 175.900 0.004 0.000 1.137 161 Y CA 1.122 59.218 58.100 -0.007 0.000 1.181 161 Y CB -0.864 37.591 38.460 -0.008 0.000 0.989 161 Y HN 0.635 nan 8.280 nan 0.000 0.527 162 S N -0.466 115.328 115.700 0.157 0.000 2.380 162 S HA -0.266 4.203 4.470 -0.000 0.000 0.229 162 S C 1.973 176.628 174.600 0.092 0.000 1.043 162 S CA 2.064 60.329 58.200 0.108 0.000 1.038 162 S CB -1.398 61.851 63.200 0.082 0.000 0.872 162 S HN 0.612 nan 8.310 nan 0.000 0.456 163 T N -0.235 114.363 114.554 0.074 0.000 3.014 163 T HA 0.159 4.509 4.350 -0.000 0.000 0.263 163 T C 1.875 176.625 174.700 0.083 0.000 1.078 163 T CA 0.448 62.590 62.100 0.070 0.000 1.135 163 T CB -0.342 68.555 68.868 0.048 0.000 0.895 163 T HN 0.439 nan 8.240 nan 0.000 0.480 164 R N 0.699 121.251 120.500 0.086 0.000 2.092 164 R HA 0.194 4.534 4.340 -0.000 0.000 0.231 164 R C 2.400 178.757 176.300 0.096 0.000 1.119 164 R CA 1.012 57.159 56.100 0.077 0.000 0.970 164 R CB -0.552 29.789 30.300 0.069 0.000 0.864 164 R HN 0.379 nan 8.270 nan 0.000 0.440 165 L N 0.230 121.526 121.223 0.123 0.000 2.072 165 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 165 L C 2.313 179.329 176.870 0.243 0.000 1.079 165 L CA 0.999 55.961 54.840 0.203 0.000 0.752 165 L CB -0.316 41.805 42.059 0.103 0.000 0.906 165 L HN 0.134 nan 8.230 nan 0.000 0.436 166 I N 0.047 120.712 120.570 0.159 0.000 2.163 166 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 166 I C 2.034 178.236 176.117 0.143 0.000 1.085 166 I CA 1.277 62.667 61.300 0.151 0.000 1.347 166 I CB -0.407 37.662 38.000 0.115 0.000 1.044 166 I HN 0.242 nan 8.210 nan 0.000 0.408 167 D N 0.685 121.157 120.400 0.119 0.000 2.182 167 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 167 D C 2.232 178.569 176.300 0.061 0.000 0.986 167 D CA 1.296 55.352 54.000 0.094 0.000 0.847 167 D CB -0.058 40.794 40.800 0.087 0.000 0.942 167 D HN 0.312 nan 8.370 nan 0.000 0.467 168 L N -1.615 119.650 121.223 0.070 0.000 2.200 168 L HA 0.064 4.404 4.340 -0.000 0.000 0.200 168 L C 1.782 178.556 176.870 -0.159 0.000 1.072 168 L CA 0.460 55.258 54.840 -0.070 0.000 0.787 168 L CB -0.097 41.897 42.059 -0.108 0.000 0.957 168 L HN -0.064 nan 8.230 nan 0.000 0.459 169 F N -0.436 119.545 119.950 0.051 0.000 2.656 169 F HA 0.275 4.803 4.527 0.000 0.000 0.291 169 F C 1.128 176.965 175.800 0.062 0.000 1.122 169 F CA 0.290 58.326 58.000 0.059 0.000 1.427 169 F CB 0.302 39.339 39.000 0.062 0.000 1.125 169 F HN -0.066 nan 8.300 nan 0.000 0.583 170 A N 0.676 123.628 122.820 0.220 0.000 3.453 170 A HA 0.348 4.668 4.320 -0.000 0.000 0.262 170 A C -2.654 175.007 177.584 0.128 0.000 1.026 170 A CA -1.049 51.086 52.037 0.162 0.000 0.938 170 A CB -0.653 18.445 19.000 0.165 0.000 1.246 170 A HN -0.172 nan 8.150 nan 0.000 0.546 171 P HA 0.095 nan 4.420 nan 0.000 0.264 171 P C -0.356 177.011 177.300 0.111 0.000 1.183 171 P CA 0.818 63.973 63.100 0.092 0.000 0.763 171 P CB 0.738 32.470 31.700 0.052 0.000 0.807 172 I N 2.239 122.894 120.570 0.142 0.000 2.354 172 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 172 I C 1.138 177.381 176.117 0.210 0.000 0.989 172 I CA -0.262 61.148 61.300 0.182 0.000 1.188 172 I CB 1.791 39.914 38.000 0.204 0.000 1.342 172 I HN 0.376 nan 8.210 nan 0.000 0.457 173 G N 4.603 113.485 108.800 0.138 0.000 2.735 173 G HA2 0.470 4.430 3.960 -0.000 0.000 0.301 173 G HA3 0.470 4.430 3.960 -0.000 0.000 0.301 173 G C -0.886 173.972 174.900 -0.069 0.000 1.279 173 G CA -0.798 44.288 45.100 -0.022 0.000 1.019 173 G HN 0.480 nan 8.290 nan 0.000 0.497 174 K N 0.138 120.315 120.400 -0.371 0.000 2.363 174 K HA 0.438 4.758 4.320 -0.000 0.000 0.289 174 K C 0.842 177.406 176.600 -0.060 0.000 1.063 174 K CA 1.119 57.235 56.287 -0.284 0.000 0.967 174 K CB 0.713 32.951 32.500 -0.437 0.000 0.987 174 K HN 1.005 nan 8.250 nan 0.000 0.473 175 G N 2.109 110.938 108.800 0.047 0.000 2.183 175 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.168 175 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.168 175 G C -0.113 174.806 174.900 0.032 0.000 1.008 175 G CA -0.668 44.451 45.100 0.031 0.000 0.677 175 G HN 0.495 nan 8.290 nan 0.000 0.498 176 Q N 0.429 120.276 119.800 0.078 0.000 2.364 176 Q HA 0.567 4.907 4.340 -0.000 0.000 0.267 176 Q C 0.610 176.616 176.000 0.010 0.000 0.999 176 Q CA 0.071 55.913 55.803 0.066 0.000 0.886 176 Q CB 0.383 29.195 28.738 0.122 0.000 1.243 176 Q HN 0.383 nan 8.270 nan 0.000 0.415 177 R N 2.169 122.632 120.500 -0.061 0.000 2.278 177 R HA 0.567 4.907 4.340 -0.000 0.000 0.322 177 R C -0.789 175.487 176.300 -0.040 0.000 1.058 177 R CA -0.195 55.767 56.100 -0.230 0.000 0.991 177 R CB 0.182 30.190 30.300 -0.486 0.000 1.140 177 R HN 0.743 nan 8.270 nan 0.000 0.518 178 G N 2.832 111.722 108.800 0.150 0.000 2.420 178 G HA2 0.488 4.448 3.960 -0.000 0.000 0.331 178 G HA3 0.488 4.448 3.960 -0.000 0.000 0.331 178 G C -1.105 174.013 174.900 0.362 0.000 1.168 178 G CA -0.692 44.546 45.100 0.230 0.000 0.936 178 G HN 0.517 nan 8.290 nan 0.000 0.479 179 M N 2.644 122.410 119.600 0.276 0.000 2.142 179 M HA 0.482 4.962 4.480 -0.000 0.000 0.299 179 M C -1.218 175.164 176.300 0.137 0.000 0.960 179 M CA -0.685 54.734 55.300 0.198 0.000 0.920 179 M CB 1.312 34.030 32.600 0.197 0.000 1.541 179 M HN 0.333 nan 8.290 nan 0.000 0.429 180 I N 5.550 126.174 120.570 0.090 0.000 2.301 180 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 180 I C -0.402 175.752 176.117 0.061 0.000 1.046 180 I CA -0.685 60.659 61.300 0.074 0.000 1.282 180 I CB 1.036 39.068 38.000 0.053 0.000 1.409 180 I HN 0.361 nan 8.210 nan 0.000 0.484 181 V N 6.804 126.765 119.914 0.078 0.000 2.405 181 V HA 0.381 4.501 4.120 -0.000 0.000 0.264 181 V C 0.597 176.691 176.094 -0.001 0.000 1.048 181 V CA -0.241 62.091 62.300 0.053 0.000 0.966 181 V CB 0.824 32.695 31.823 0.080 0.000 1.015 181 V HN 0.818 nan 8.190 nan 0.000 0.477 182 A N 8.440 131.244 122.820 -0.027 0.000 2.363 182 A HA 0.830 5.150 4.320 -0.000 0.000 0.296 182 A C -2.657 174.898 177.584 -0.049 0.000 1.237 182 A CA -1.670 50.353 52.037 -0.023 0.000 0.773 182 A CB 1.125 20.121 19.000 -0.006 0.000 1.153 182 A HN 0.601 nan 8.150 nan 0.000 0.473 183 P HA 0.305 nan 4.420 nan 0.000 0.274 183 P C -2.788 174.500 177.300 -0.020 0.000 1.256 183 P CA -1.569 61.500 63.100 -0.052 0.000 0.795 183 P CB -0.408 31.260 31.700 -0.053 0.000 1.038 184 P HA -0.015 nan 4.420 nan 0.000 0.261 184 P C 0.063 177.377 177.300 0.023 0.000 1.203 184 P CA 0.524 63.625 63.100 0.002 0.000 0.767 184 P CB -0.176 31.523 31.700 -0.001 0.000 0.785 185 K N 2.320 122.742 120.400 0.038 0.000 3.181 185 K HA -0.158 4.162 4.320 -0.000 0.000 0.269 185 K C 0.473 177.154 176.600 0.134 0.000 1.097 185 K CA 0.424 56.751 56.287 0.066 0.000 0.783 185 K CB -1.643 30.887 32.500 0.050 0.000 1.267 185 K HN 0.695 nan 8.250 nan 0.000 0.484 186 A N -1.839 121.077 122.820 0.160 0.000 3.907 186 A HA 0.108 4.428 4.320 -0.000 0.000 0.247 186 A C 1.283 178.984 177.584 0.195 0.000 2.138 186 A CA 1.009 53.116 52.037 0.117 0.000 0.895 186 A CB -2.064 16.972 19.000 0.060 0.000 1.010 186 A HN 1.878 nan 8.150 nan 0.000 0.413 187 G N -0.273 108.597 108.800 0.118 0.000 2.130 187 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 187 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 187 G C 0.672 175.597 174.900 0.041 0.000 0.999 187 G CA 1.595 46.730 45.100 0.057 0.000 0.686 187 G HN 1.985 nan 8.290 nan 0.000 0.515 188 K N -0.594 119.826 120.400 0.034 0.000 2.217 188 K HA 0.002 4.322 4.320 -0.000 0.000 0.202 188 K C 2.022 178.626 176.600 0.006 0.000 1.051 188 K CA 1.741 58.042 56.287 0.024 0.000 0.952 188 K CB -0.399 32.111 32.500 0.016 0.000 0.736 188 K HN 0.205 nan 8.250 nan 0.000 0.453 189 T N 1.262 115.811 114.554 -0.009 0.000 2.777 189 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 189 T C 1.767 176.455 174.700 -0.021 0.000 1.040 189 T CA 1.999 64.089 62.100 -0.017 0.000 1.141 189 T CB -0.410 68.443 68.868 -0.025 0.000 0.868 189 T HN 0.389 nan 8.240 nan 0.000 0.444 190 T N 2.441 116.976 114.554 -0.032 0.000 2.788 190 T HA -0.026 4.324 4.350 -0.000 0.000 0.268 190 T C 1.897 176.590 174.700 -0.012 0.000 1.044 190 T CA 0.619 62.698 62.100 -0.035 0.000 1.139 190 T CB -0.252 68.578 68.868 -0.064 0.000 0.867 190 T HN 0.175 nan 8.240 nan 0.000 0.454 191 I N 1.279 121.853 120.570 0.006 0.000 2.142 191 I HA -0.093 4.077 4.170 -0.000 0.000 0.240 191 I C 2.400 178.523 176.117 0.010 0.000 1.078 191 I CA 1.189 62.501 61.300 0.021 0.000 1.343 191 I CB -1.417 36.605 38.000 0.038 0.000 1.046 191 I HN 0.277 nan 8.210 nan 0.000 0.405 192 L N 0.309 121.535 121.223 0.005 0.000 1.990 192 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 192 L C 2.606 179.469 176.870 -0.011 0.000 1.072 192 L CA 1.765 56.605 54.840 -0.001 0.000 0.755 192 L CB -0.729 41.329 42.059 -0.002 0.000 0.889 192 L HN 0.220 nan 8.230 nan 0.000 0.432 193 K N 0.059 120.450 120.400 -0.014 0.000 2.032 193 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 193 K C 2.009 178.598 176.600 -0.019 0.000 1.048 193 K CA 1.765 58.041 56.287 -0.018 0.000 0.927 193 K CB -0.123 32.363 32.500 -0.023 0.000 0.712 193 K HN 0.339 nan 8.250 nan 0.000 0.441 194 E N 0.399 120.590 120.200 -0.014 0.000 2.106 194 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 194 E C 1.988 178.581 176.600 -0.011 0.000 0.984 194 E CA 0.923 57.316 56.400 -0.012 0.000 0.806 194 E CB -0.053 29.644 29.700 -0.006 0.000 0.750 194 E HN 0.273 nan 8.360 nan 0.000 0.458 195 I N 1.164 121.727 120.570 -0.012 0.000 2.142 195 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 195 I C 2.578 178.659 176.117 -0.059 0.000 1.078 195 I CA 0.980 62.262 61.300 -0.029 0.000 1.343 195 I CB -0.384 37.600 38.000 -0.027 0.000 1.046 195 I HN 0.097 nan 8.210 nan 0.000 0.405 196 A N 0.720 123.510 122.820 -0.050 0.000 1.917 196 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 196 A C 2.164 179.722 177.584 -0.043 0.000 1.182 196 A CA 2.093 54.097 52.037 -0.056 0.000 0.633 196 A CB -0.821 18.158 19.000 -0.035 0.000 0.819 196 A HN 0.469 nan 8.150 nan 0.000 0.448 197 N N -0.321 118.363 118.700 -0.028 0.000 2.106 197 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 197 N C 1.955 177.462 175.510 -0.004 0.000 1.029 197 N CA 1.461 54.502 53.050 -0.015 0.000 0.848 197 N CB -0.454 38.024 38.487 -0.015 0.000 1.007 197 N HN 0.451 nan 8.380 nan 0.000 0.423 198 G N 1.543 110.343 108.800 -0.001 0.000 2.418 198 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 198 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 198 G C 1.713 176.650 174.900 0.061 0.000 1.158 198 G CA 0.346 45.462 45.100 0.027 0.000 0.771 198 G HN 0.269 nan 8.290 nan 0.000 0.545 199 I N 1.312 121.890 120.570 0.013 0.000 2.286 199 I HA -0.168 4.001 4.170 -0.000 0.000 0.248 199 I C 3.251 179.422 176.117 0.090 0.000 1.115 199 I CA 0.920 62.238 61.300 0.030 0.000 1.392 199 I CB -0.218 37.628 38.000 -0.256 0.000 1.065 199 I HN 0.255 nan 8.210 nan 0.000 0.418 200 A N 0.335 123.174 122.820 0.032 0.000 1.930 200 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 200 A C 2.230 179.837 177.584 0.038 0.000 1.175 200 A CA 1.462 53.521 52.037 0.037 0.000 0.627 200 A CB -0.379 18.628 19.000 0.012 0.000 0.815 200 A HN 0.428 nan 8.150 nan 0.000 0.443 201 E N -0.377 119.839 120.200 0.026 0.000 2.086 201 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 201 E C 1.185 177.775 176.600 -0.017 0.000 0.975 201 E CA 0.780 57.184 56.400 0.007 0.000 0.813 201 E CB -0.108 29.593 29.700 0.001 0.000 0.768 201 E HN 0.557 nan 8.360 nan 0.000 0.457 202 N N 0.276 118.960 118.700 -0.028 0.000 2.424 202 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 202 N C -0.117 175.123 175.510 -0.449 0.000 1.060 202 N CA 0.651 53.580 53.050 -0.201 0.000 0.901 202 N CB 0.336 38.705 38.487 -0.196 0.000 0.979 202 N HN 0.211 nan 8.380 nan 0.000 0.451 203 H N -0.576 118.563 119.070 0.114 0.000 2.514 203 H HA 0.200 4.756 4.556 -0.000 0.000 0.226 203 H C -1.826 173.575 175.328 0.122 0.000 1.421 203 H CA -1.063 55.075 56.048 0.151 0.000 1.394 203 H CB 1.278 31.213 29.762 0.289 0.000 1.701 203 H HN 0.028 nan 8.280 nan 0.000 0.515 204 P HA -0.104 nan 4.420 nan 0.000 0.230 204 P C 0.357 177.729 177.300 0.121 0.000 1.158 204 P CA 0.908 64.070 63.100 0.103 0.000 0.769 204 P CB 0.597 32.333 31.700 0.059 0.000 0.807 205 D N -0.853 119.644 120.400 0.162 0.000 2.349 205 D HA 0.012 4.652 4.640 -0.000 0.000 0.215 205 D C 0.443 176.878 176.300 0.225 0.000 1.016 205 D CA 0.624 54.732 54.000 0.180 0.000 0.870 205 D CB -0.392 40.513 40.800 0.176 0.000 0.917 205 D HN 0.122 nan 8.370 nan 0.000 0.524 206 T N 1.706 116.399 114.554 0.232 0.000 2.869 206 T HA 0.189 4.539 4.350 -0.000 0.000 0.295 206 T C 0.544 175.338 174.700 0.157 0.000 0.987 206 T CA -0.492 61.753 62.100 0.241 0.000 1.109 206 T CB 1.195 70.250 68.868 0.311 0.000 0.932 206 T HN -0.138 nan 8.240 nan 0.000 0.518 207 I N 3.863 124.518 120.570 0.141 0.000 2.352 207 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 207 I C 0.778 176.927 176.117 0.053 0.000 1.036 207 I CA -0.213 61.130 61.300 0.071 0.000 1.336 207 I CB 0.224 38.251 38.000 0.044 0.000 1.407 207 I HN 0.457 nan 8.210 nan 0.000 0.497 208 R N 6.694 127.211 120.500 0.027 0.000 2.343 208 R HA 0.715 5.055 4.340 -0.000 0.000 0.320 208 R C -0.785 175.520 176.300 0.008 0.000 0.956 208 R CA -0.521 55.584 56.100 0.007 0.000 0.836 208 R CB 1.832 32.127 30.300 -0.009 0.000 1.151 208 R HN 0.494 nan 8.270 nan 0.000 0.450 209 I N 4.452 125.029 120.570 0.011 0.000 2.466 209 I HA 0.396 4.566 4.170 -0.000 0.000 0.289 209 I C -0.387 175.742 176.117 0.019 0.000 1.026 209 I CA -0.638 60.672 61.300 0.017 0.000 1.078 209 I CB 2.050 40.065 38.000 0.024 0.000 1.249 209 I HN 0.431 nan 8.210 nan 0.000 0.429 210 I N 6.762 127.341 120.570 0.015 0.000 2.355 210 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 210 I C -0.945 175.184 176.117 0.020 0.000 0.999 210 I CA -0.725 60.584 61.300 0.016 0.000 1.163 210 I CB 1.774 39.776 38.000 0.004 0.000 1.316 210 I HN 0.301 nan 8.210 nan 0.000 0.454 211 L N 8.638 129.880 121.223 0.031 0.000 2.276 211 L HA 0.501 4.841 4.340 -0.000 0.000 0.286 211 L C -0.957 175.911 176.870 -0.003 0.000 1.024 211 L CA -0.188 54.669 54.840 0.028 0.000 0.826 211 L CB 0.904 43.008 42.059 0.076 0.000 1.211 211 L HN 0.429 nan 8.230 nan 0.000 0.422 212 L N 6.521 127.734 121.223 -0.017 0.000 2.276 212 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 212 L C -0.561 176.276 176.870 -0.054 0.000 1.024 212 L CA -0.570 54.252 54.840 -0.031 0.000 0.826 212 L CB 1.347 43.395 42.059 -0.018 0.000 1.211 212 L HN 0.430 nan 8.230 nan 0.000 0.422 213 I N 3.007 123.529 120.570 -0.081 0.000 2.304 213 I HA 0.082 4.252 4.170 -0.000 0.000 0.291 213 I C 0.607 176.646 176.117 -0.131 0.000 1.018 213 I CA 0.099 61.331 61.300 -0.114 0.000 1.260 213 I CB 0.754 38.667 38.000 -0.145 0.000 1.390 213 I HN 0.700 nan 8.210 nan 0.000 0.475 214 D N 4.665 124.976 120.400 -0.148 0.000 2.701 214 D HA -0.222 4.418 4.640 -0.000 0.000 0.235 214 D C 0.138 176.285 176.300 -0.254 0.000 1.155 214 D CA 1.187 55.048 54.000 -0.231 0.000 0.649 214 D CB -0.151 40.472 40.800 -0.295 0.000 1.050 214 D HN 0.785 nan 8.370 nan 0.000 0.425 215 E N -0.836 119.314 120.200 -0.084 0.000 2.221 215 E HA 0.602 4.951 4.350 -0.000 0.000 0.268 215 E C -0.125 176.618 176.600 0.240 0.000 0.933 215 E CA -1.339 55.087 56.400 0.043 0.000 0.809 215 E CB 0.866 30.582 29.700 0.027 0.000 1.190 215 E HN 0.068 nan 8.360 nan 0.000 0.406 216 R N 1.996 122.760 120.500 0.441 0.000 2.619 216 R HA 0.029 4.369 4.340 -0.000 0.000 0.268 216 R C -2.076 174.291 176.300 0.111 0.000 0.990 216 R CA -1.224 55.041 56.100 0.276 0.000 1.092 216 R CB -1.149 29.207 30.300 0.094 0.000 0.935 216 R HN 0.403 nan 8.270 nan 0.000 0.415 217 P HA -0.253 nan 4.420 nan 0.000 0.214 217 P C 0.673 177.978 177.300 0.009 0.000 1.169 217 P CA 1.609 64.723 63.100 0.024 0.000 0.908 217 P CB 0.070 31.767 31.700 -0.004 0.000 0.791 218 E N -0.471 119.726 120.200 -0.006 0.000 2.065 218 E HA -0.263 4.087 4.350 -0.000 0.000 0.201 218 E C 2.032 178.631 176.600 -0.002 0.000 1.016 218 E CA 1.080 57.474 56.400 -0.010 0.000 0.818 218 E CB -0.738 28.950 29.700 -0.019 0.000 0.749 218 E HN 0.293 nan 8.360 nan 0.000 0.453 219 E N 0.744 120.949 120.200 0.008 0.000 2.114 219 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 219 E C 2.190 178.794 176.600 0.007 0.000 1.008 219 E CA 0.787 57.193 56.400 0.010 0.000 0.810 219 E CB -0.105 29.611 29.700 0.027 0.000 0.739 219 E HN 0.086 nan 8.360 nan 0.000 0.456 220 V N 0.796 120.718 119.914 0.013 0.000 2.913 220 V HA -0.184 3.936 4.120 -0.000 0.000 0.260 220 V C 2.160 178.254 176.094 -0.000 0.000 1.098 220 V CA 1.872 64.177 62.300 0.008 0.000 1.121 220 V CB -0.635 31.196 31.823 0.014 0.000 0.714 220 V HN 0.265 nan 8.190 nan 0.000 0.487 221 T N -1.150 113.402 114.554 -0.003 0.000 2.896 221 T HA -0.068 4.281 4.350 -0.000 0.000 0.263 221 T C 1.365 176.059 174.700 -0.009 0.000 1.050 221 T CA 1.524 63.620 62.100 -0.007 0.000 1.140 221 T CB 0.049 68.912 68.868 -0.008 0.000 0.877 221 T HN 0.621 nan 8.240 nan 0.000 0.457 222 D N -1.922 118.471 120.400 -0.012 0.000 1.690 222 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 222 D C 0.833 177.122 176.300 -0.018 0.000 1.432 222 D CA 0.446 54.437 54.000 -0.014 0.000 0.572 222 D CB -0.353 40.440 40.800 -0.012 0.000 3.251 222 D HN 0.034 nan 8.370 nan 0.000 0.193 223 I N 0.293 120.853 120.570 -0.018 0.000 4.837 223 I HA -0.344 3.826 4.170 -0.000 0.000 0.039 223 I C 1.849 177.959 176.117 -0.011 0.000 0.633 223 I CA 2.194 63.486 61.300 -0.014 0.000 0.481 223 I CB -1.606 36.387 38.000 -0.010 0.000 0.491 223 I HN 0.377 nan 8.210 nan 0.000 0.152 224 R N 0.226 120.720 120.500 -0.010 0.000 2.139 224 R HA -0.163 4.177 4.340 -0.000 0.000 0.243 224 R C 1.566 177.861 176.300 -0.009 0.000 1.145 224 R CA 2.092 58.187 56.100 -0.009 0.000 0.976 224 R CB 0.053 30.348 30.300 -0.008 0.000 0.866 224 R HN 0.648 nan 8.270 nan 0.000 0.449 225 E N -3.769 116.425 120.200 -0.011 0.000 2.094 225 E HA 0.020 4.370 4.350 -0.000 0.000 0.254 225 E C 0.332 176.925 176.600 -0.012 0.000 1.086 225 E CA 0.641 57.034 56.400 -0.012 0.000 1.741 225 E CB 0.549 30.241 29.700 -0.013 0.000 3.572 225 E HN 0.025 nan 8.360 nan 0.000 0.995 226 S N -1.398 114.293 115.700 -0.014 0.000 1.619 226 S HA -0.136 4.334 4.470 -0.000 0.000 0.252 226 S C 1.015 175.606 174.600 -0.016 0.000 0.621 226 S CA 1.152 59.343 58.200 -0.016 0.000 1.069 226 S CB -1.369 61.821 63.200 -0.016 0.000 0.676 226 S HN 0.255 nan 8.310 nan 0.000 0.490 227 T N 4.429 118.975 114.554 -0.013 0.000 5.220 227 T HA 0.275 4.625 4.350 -0.000 0.000 0.259 227 T C 0.516 175.209 174.700 -0.012 0.000 0.811 227 T CA 0.709 62.801 62.100 -0.013 0.000 1.845 227 T CB -0.451 68.411 68.868 -0.011 0.000 1.646 227 T HN 0.884 nan 8.240 nan 0.000 0.298 228 N N -0.086 118.608 118.700 -0.009 0.000 2.483 228 N HA 0.616 5.356 4.740 -0.000 0.000 0.285 228 N C -1.167 174.339 175.510 -0.008 0.000 1.210 228 N CA -0.820 52.225 53.050 -0.008 0.000 0.931 228 N CB 1.614 40.098 38.487 -0.006 0.000 1.220 228 N HN 0.852 nan 8.380 nan 0.000 0.542 229 A N -0.023 122.793 122.820 -0.007 0.000 2.555 229 A HA 0.234 4.554 4.320 -0.000 0.000 0.299 229 A C -1.167 176.415 177.584 -0.004 0.000 0.962 229 A CA -0.933 51.100 52.037 -0.006 0.000 0.646 229 A CB -0.157 18.838 19.000 -0.008 0.000 1.327 229 A HN 0.702 nan 8.150 nan 0.000 0.428 230 I N 1.012 121.581 120.570 -0.001 0.000 2.742 230 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 230 I C -0.160 175.958 176.117 0.002 0.000 1.186 230 I CA 0.531 61.832 61.300 0.002 0.000 1.417 230 I CB 0.527 38.532 38.000 0.008 0.000 1.377 230 I HN 0.325 nan 8.210 nan 0.000 0.556 231 V N 8.719 128.634 119.914 0.000 0.000 2.350 231 V HA 0.387 4.507 4.120 -0.000 0.000 0.285 231 V C 0.103 176.197 176.094 0.001 0.000 1.014 231 V CA -0.391 61.910 62.300 0.000 0.000 0.831 231 V CB 1.195 33.017 31.823 -0.003 0.000 1.000 231 V HN 0.438 nan 8.190 nan 0.000 0.433 232 I N 4.616 125.188 120.570 0.004 0.000 2.330 232 I HA 0.782 4.952 4.170 -0.000 0.000 0.289 232 I C 0.191 176.307 176.117 -0.002 0.000 1.001 232 I CA -0.295 61.006 61.300 0.002 0.000 1.193 232 I CB 1.597 39.602 38.000 0.009 0.000 1.345 232 I HN 0.667 nan 8.210 nan 0.000 0.461 233 A N 5.417 128.233 122.820 -0.007 0.000 2.459 233 A HA 0.898 5.218 4.320 -0.000 0.000 0.296 233 A C -0.946 176.629 177.584 -0.013 0.000 1.039 233 A CA -0.516 51.514 52.037 -0.012 0.000 0.698 233 A CB 1.766 20.762 19.000 -0.006 0.000 1.261 233 A HN 0.788 nan 8.150 nan 0.000 0.405 234 A N 3.547 126.353 122.820 -0.024 0.000 2.768 234 A HA 0.817 5.137 4.320 -0.000 0.000 0.298 234 A C -3.358 174.208 177.584 -0.030 0.000 1.159 234 A CA -1.008 51.016 52.037 -0.022 0.000 0.783 234 A CB 1.123 20.108 19.000 -0.026 0.000 1.333 234 A HN 0.502 nan 8.150 nan 0.000 0.412 235 P HA 0.513 nan 4.420 nan 0.000 0.305 235 P C 0.611 177.949 177.300 0.064 0.000 1.296 235 P CA -0.732 62.386 63.100 0.029 0.000 1.179 235 P CB 0.939 32.663 31.700 0.040 0.000 1.766 236 F N 1.714 121.646 119.950 -0.031 0.000 2.106 236 F HA -0.272 4.254 4.527 -0.001 0.000 0.299 236 F C 1.188 176.970 175.800 -0.030 0.000 1.082 236 F CA 2.820 60.801 58.000 -0.031 0.000 1.244 236 F CB -0.311 38.673 39.000 -0.026 0.000 0.997 236 F HN 0.310 nan 8.300 nan 0.000 0.486 237 D N -1.163 119.381 120.400 0.240 0.000 2.491 237 D HA 0.071 4.711 4.640 -0.000 0.000 0.228 237 D C 0.235 176.572 176.300 0.062 0.000 1.183 237 D CA 0.026 54.124 54.000 0.163 0.000 0.827 237 D CB -0.446 40.428 40.800 0.122 0.000 0.989 237 D HN 0.058 nan 8.370 nan 0.000 0.494 238 M N 0.799 120.412 119.600 0.022 0.000 2.409 238 M HA 0.418 4.898 4.480 -0.000 0.000 0.329 238 M C -2.412 173.869 176.300 -0.031 0.000 1.180 238 M CA -2.359 52.936 55.300 -0.009 0.000 1.053 238 M CB 1.183 33.770 32.600 -0.023 0.000 1.586 238 M HN -0.254 nan 8.290 nan 0.000 0.461 239 P HA 0.102 nan 4.420 nan 0.000 0.268 239 P C -1.965 175.291 177.300 -0.074 0.000 1.205 239 P CA -0.746 62.327 63.100 -0.046 0.000 0.771 239 P CB -0.172 31.506 31.700 -0.038 0.000 0.858 240 P HA -0.199 nan 4.420 nan 0.000 0.218 240 P C 0.680 177.891 177.300 -0.147 0.000 1.148 240 P CA 1.574 64.598 63.100 -0.126 0.000 0.822 240 P CB -0.178 31.450 31.700 -0.119 0.000 0.784 241 D N -1.040 119.292 120.400 -0.114 0.000 2.317 241 D HA -0.106 4.534 4.640 -0.000 0.000 0.211 241 D C 1.792 178.029 176.300 -0.106 0.000 0.966 241 D CA 0.724 54.653 54.000 -0.118 0.000 0.876 241 D CB -0.405 40.348 40.800 -0.078 0.000 0.927 241 D HN -0.041 nan 8.370 nan 0.000 0.519 242 K N 0.193 120.538 120.400 -0.091 0.000 2.186 242 K HA 0.062 4.382 4.320 -0.000 0.000 0.202 242 K C 2.087 178.633 176.600 -0.090 0.000 1.052 242 K CA 0.907 57.150 56.287 -0.075 0.000 0.965 242 K CB 0.004 32.470 32.500 -0.056 0.000 0.746 242 K HN 0.250 nan 8.250 nan 0.000 0.457 243 Q N -0.467 119.263 119.800 -0.118 0.000 2.049 243 Q HA -0.065 4.274 4.340 -0.000 0.000 0.198 243 Q C 1.943 177.843 176.000 -0.167 0.000 0.971 243 Q CA 1.313 57.035 55.803 -0.134 0.000 0.833 243 Q CB -0.079 28.567 28.738 -0.153 0.000 0.896 243 Q HN 0.022 nan 8.270 nan 0.000 0.434 244 V N 1.677 121.444 119.914 -0.246 0.000 2.324 244 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 244 V C 2.109 178.120 176.094 -0.138 0.000 1.060 244 V CA 1.943 64.050 62.300 -0.322 0.000 1.042 244 V CB -0.416 31.099 31.823 -0.514 0.000 0.650 244 V HN 0.300 nan 8.190 nan 0.000 0.450 245 K N -0.695 119.643 120.400 -0.103 0.000 2.148 245 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 245 K C 2.008 178.592 176.600 -0.028 0.000 1.050 245 K CA 1.101 57.358 56.287 -0.051 0.000 0.942 245 K CB -0.218 32.250 32.500 -0.054 0.000 0.724 245 K HN 0.346 nan 8.250 nan 0.000 0.446 246 V N 1.149 121.040 119.914 -0.039 0.000 2.295 246 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 246 V C 2.289 178.394 176.094 0.018 0.000 1.049 246 V CA 2.146 64.434 62.300 -0.019 0.000 1.024 246 V CB -0.633 31.171 31.823 -0.031 0.000 0.648 246 V HN 0.366 nan 8.190 nan 0.000 0.447 247 A N -0.513 122.319 122.820 0.020 0.000 1.930 247 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 247 A C 2.171 179.915 177.584 0.266 0.000 1.175 247 A CA 1.747 53.850 52.037 0.110 0.000 0.627 247 A CB -0.415 18.567 19.000 -0.030 0.000 0.815 247 A HN 0.644 nan 8.150 nan 0.000 0.443 248 E N -0.813 119.493 120.200 0.178 0.000 2.072 248 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 248 E C 1.915 178.558 176.600 0.070 0.000 0.985 248 E CA 1.103 57.606 56.400 0.172 0.000 0.801 248 E CB -0.223 29.550 29.700 0.122 0.000 0.750 248 E HN 0.495 nan 8.360 nan 0.000 0.452 249 L N 1.089 122.333 121.223 0.035 0.000 2.109 249 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 249 L C 2.206 179.068 176.870 -0.013 0.000 1.086 249 L CA 1.726 56.563 54.840 -0.006 0.000 0.760 249 L CB -0.560 41.491 42.059 -0.014 0.000 0.910 249 L HN -0.002 nan 8.230 nan 0.000 0.437 250 T N -0.087 114.481 114.554 0.024 0.000 2.684 250 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 250 T C 1.798 176.478 174.700 -0.034 0.000 1.036 250 T CA 1.920 64.031 62.100 0.018 0.000 1.148 250 T CB -0.431 68.486 68.868 0.081 0.000 0.863 250 T HN 0.299 nan 8.240 nan 0.000 0.436 251 L N 1.336 122.533 121.223 -0.043 0.000 2.046 251 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 251 L C 2.398 179.118 176.870 -0.250 0.000 1.077 251 L CA 1.766 56.460 54.840 -0.243 0.000 0.747 251 L CB -0.544 41.268 42.059 -0.411 0.000 0.896 251 L HN 0.166 nan 8.230 nan 0.000 0.432 252 E N -0.723 119.377 120.200 -0.167 0.000 2.110 252 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 252 E C 2.142 178.641 176.600 -0.167 0.000 0.988 252 E CA 1.648 57.944 56.400 -0.172 0.000 0.804 252 E CB -0.348 29.288 29.700 -0.107 0.000 0.745 252 E HN 0.605 nan 8.360 nan 0.000 0.458 253 M N 0.657 120.175 119.600 -0.137 0.000 2.117 253 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 253 M C 2.276 178.491 176.300 -0.142 0.000 1.065 253 M CA 1.669 56.886 55.300 -0.139 0.000 1.114 253 M CB -0.096 32.436 32.600 -0.114 0.000 1.361 253 M HN 0.064 nan 8.290 nan 0.000 0.408 254 A N 0.810 123.545 122.820 -0.141 0.000 1.877 254 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 254 A C 2.050 179.560 177.584 -0.123 0.000 1.186 254 A CA 2.021 53.989 52.037 -0.116 0.000 0.620 254 A CB -0.642 18.278 19.000 -0.133 0.000 0.822 254 A HN 0.590 nan 8.150 nan 0.000 0.443 255 K N -0.795 119.441 120.400 -0.274 0.000 2.063 255 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 255 K C 2.223 178.816 176.600 -0.011 0.000 1.048 255 K CA 1.260 57.340 56.287 -0.345 0.000 0.928 255 K CB -0.188 31.857 32.500 -0.758 0.000 0.713 255 K HN 0.278 nan 8.250 nan 0.000 0.442 256 R N 1.046 121.514 120.500 -0.054 0.000 2.081 256 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 256 R C 2.352 178.677 176.300 0.041 0.000 1.131 256 R CA 1.093 57.182 56.100 -0.019 0.000 0.960 256 R CB -0.989 29.208 30.300 -0.173 0.000 0.856 256 R HN 0.266 nan 8.270 nan 0.000 0.436 257 L N 0.424 121.655 121.223 0.014 0.000 2.042 257 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 257 L C 2.449 179.537 176.870 0.363 0.000 1.076 257 L CA 1.097 56.031 54.840 0.157 0.000 0.749 257 L CB -0.485 41.602 42.059 0.047 0.000 0.893 257 L HN -0.047 nan 8.230 nan 0.000 0.432 258 V N -0.555 119.531 119.914 0.287 0.000 2.453 258 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 258 V C 2.265 178.526 176.094 0.278 0.000 1.048 258 V CA 1.421 63.897 62.300 0.294 0.000 1.049 258 V CB -0.369 31.663 31.823 0.348 0.000 0.672 258 V HN 0.420 nan 8.190 nan 0.000 0.457 259 E N -0.448 119.954 120.200 0.337 0.000 2.171 259 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 259 E C 1.395 178.191 176.600 0.326 0.000 0.997 259 E CA 1.371 57.963 56.400 0.319 0.000 0.810 259 E CB -0.081 29.854 29.700 0.391 0.000 0.738 259 E HN 0.586 nan 8.360 nan 0.000 0.467 260 F N 0.222 120.241 119.950 0.115 0.000 2.645 260 F HA 0.219 4.746 4.527 0.000 0.000 0.300 260 F C 0.692 176.465 175.800 -0.044 0.000 1.115 260 F CA -0.127 57.923 58.000 0.085 0.000 1.355 260 F CB 0.058 39.173 39.000 0.193 0.000 1.026 260 F HN -0.089 nan 8.300 nan 0.000 0.536 261 N N -0.593 118.171 118.700 0.107 0.000 2.882 261 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 261 N C -0.556 174.891 175.510 -0.104 0.000 1.079 261 N CA 0.346 53.373 53.050 -0.038 0.000 0.800 261 N CB -1.310 37.098 38.487 -0.133 0.000 1.124 261 N HN 0.252 nan 8.380 nan 0.000 0.557 262 Y N 0.931 121.320 120.300 0.149 0.000 2.326 262 Y HA 0.252 4.802 4.550 -0.000 0.000 0.324 262 Y C 1.032 177.002 175.900 0.116 0.000 1.291 262 Y CA -0.000 58.182 58.100 0.137 0.000 1.348 262 Y CB 0.578 39.133 38.460 0.158 0.000 1.294 262 Y HN -0.085 nan 8.280 nan 0.000 0.525 263 D N 1.483 122.059 120.400 0.294 0.000 2.317 263 D HA 0.341 4.981 4.640 -0.000 0.000 0.234 263 D C -0.987 175.464 176.300 0.252 0.000 1.112 263 D CA -0.003 54.131 54.000 0.224 0.000 0.840 263 D CB 1.558 42.466 40.800 0.180 0.000 1.078 263 D HN 0.125 nan 8.370 nan 0.000 0.486 264 V N 2.309 122.349 119.914 0.210 0.000 2.581 264 V HA 0.455 4.575 4.120 -0.000 0.000 0.303 264 V C 0.238 176.416 176.094 0.141 0.000 1.041 264 V CA -0.818 61.576 62.300 0.157 0.000 0.907 264 V CB 2.298 34.187 31.823 0.111 0.000 0.994 264 V HN 0.225 nan 8.190 nan 0.000 0.442 265 V N 5.226 125.193 119.914 0.088 0.000 2.487 265 V HA 0.535 4.655 4.120 -0.000 0.000 0.298 265 V C -0.409 175.704 176.094 0.032 0.000 1.028 265 V CA -0.406 61.922 62.300 0.047 0.000 0.860 265 V CB 1.872 33.666 31.823 -0.049 0.000 0.991 265 V HN 0.670 nan 8.190 nan 0.000 0.427 266 I N 5.339 125.937 120.570 0.048 0.000 2.378 266 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 266 I C -1.124 175.038 176.117 0.075 0.000 0.992 266 I CA -0.747 60.592 61.300 0.064 0.000 1.154 266 I CB 1.883 39.937 38.000 0.090 0.000 1.315 266 I HN 0.318 nan 8.210 nan 0.000 0.448 267 L N 7.331 128.587 121.223 0.056 0.000 2.277 267 L HA 0.363 4.703 4.340 -0.000 0.000 0.284 267 L C -0.522 176.380 176.870 0.055 0.000 1.028 267 L CA -0.341 54.527 54.840 0.047 0.000 0.835 267 L CB 1.084 43.151 42.059 0.015 0.000 1.215 267 L HN 0.392 nan 8.230 nan 0.000 0.425 268 L N 3.794 125.059 121.223 0.070 0.000 2.264 268 L HA 0.464 4.804 4.340 -0.000 0.000 0.287 268 L C -0.510 176.350 176.870 -0.016 0.000 1.039 268 L CA 0.027 54.892 54.840 0.042 0.000 0.829 268 L CB 0.882 42.990 42.059 0.081 0.000 1.211 268 L HN 0.401 nan 8.230 nan 0.000 0.427 269 D N 3.186 123.569 120.400 -0.028 0.000 2.443 269 D HA 0.501 5.141 4.640 -0.000 0.000 0.221 269 D C -0.708 175.548 176.300 -0.073 0.000 1.097 269 D CA 0.169 54.141 54.000 -0.046 0.000 0.865 269 D CB 0.793 41.576 40.800 -0.029 0.000 1.034 269 D HN 0.646 nan 8.370 nan 0.000 0.511 270 S N 2.300 117.939 115.700 -0.102 0.000 2.697 270 S HA 0.388 4.858 4.470 -0.000 0.000 0.289 270 S C 0.764 175.257 174.600 -0.179 0.000 1.149 270 S CA -0.883 57.246 58.200 -0.118 0.000 0.850 270 S CB 1.116 64.256 63.200 -0.100 0.000 1.151 270 S HN 0.305 nan 8.310 nan 0.000 0.491 271 L N 0.493 121.567 121.223 -0.247 0.000 2.127 271 L HA -0.015 4.325 4.340 -0.000 0.000 0.203 271 L C 2.429 179.134 176.870 -0.275 0.000 1.080 271 L CA 1.409 56.030 54.840 -0.364 0.000 0.768 271 L CB -0.874 40.801 42.059 -0.641 0.000 0.924 271 L HN 0.943 nan 8.230 nan 0.000 0.444 272 T N -0.444 113.987 114.554 -0.205 0.000 2.653 272 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 272 T C 1.936 176.591 174.700 -0.076 0.000 1.035 272 T CA 1.816 63.855 62.100 -0.102 0.000 1.154 272 T CB -0.237 68.593 68.868 -0.063 0.000 0.862 272 T HN 0.261 nan 8.240 nan 0.000 0.441 273 R N -0.144 120.297 120.500 -0.099 0.000 2.153 273 R HA 0.130 4.470 4.340 -0.000 0.000 0.218 273 R C 2.290 178.531 176.300 -0.100 0.000 1.072 273 R CA 0.318 56.361 56.100 -0.096 0.000 0.990 273 R CB -0.307 29.925 30.300 -0.113 0.000 0.889 273 R HN 0.222 nan 8.270 nan 0.000 0.452 274 L N 0.498 121.646 121.223 -0.123 0.000 2.042 274 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 274 L C 2.079 178.976 176.870 0.044 0.000 1.076 274 L CA 2.120 56.899 54.840 -0.102 0.000 0.749 274 L CB -0.725 41.205 42.059 -0.216 0.000 0.893 274 L HN 0.160 nan 8.230 nan 0.000 0.432 275 A N -0.386 122.450 122.820 0.026 0.000 1.865 275 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 275 A C 2.430 180.078 177.584 0.106 0.000 1.191 275 A CA 1.968 54.073 52.037 0.112 0.000 0.623 275 A CB -0.608 18.460 19.000 0.114 0.000 0.826 275 A HN 0.496 nan 8.150 nan 0.000 0.444 276 R N -0.750 119.772 120.500 0.037 0.000 2.091 276 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 276 R C 2.033 178.332 176.300 -0.001 0.000 1.136 276 R CA 1.536 57.644 56.100 0.013 0.000 0.959 276 R CB -0.612 29.674 30.300 -0.023 0.000 0.856 276 R HN 0.413 nan 8.270 nan 0.000 0.437 277 V N -0.226 119.666 119.914 -0.036 0.000 2.295 277 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 277 V C 1.637 177.680 176.094 -0.084 0.000 1.049 277 V CA 1.646 63.883 62.300 -0.104 0.000 1.024 277 V CB -0.563 31.143 31.823 -0.194 0.000 0.648 277 V HN 0.311 nan 8.190 nan 0.000 0.447 278 Y N 0.315 120.588 120.300 -0.045 0.000 2.651 278 Y HA -0.149 4.401 4.550 -0.000 0.000 0.296 278 Y C 2.428 178.326 175.900 -0.004 0.000 1.150 278 Y CA 1.284 59.371 58.100 -0.022 0.000 1.348 278 Y CB -0.223 38.230 38.460 -0.012 0.000 0.983 278 Y HN 0.298 nan 8.280 nan 0.000 0.555 279 N N 0.072 118.838 118.700 0.111 0.000 2.305 279 N HA -0.031 4.709 4.740 -0.000 0.000 0.179 279 N C 1.487 177.018 175.510 0.036 0.000 1.019 279 N CA 0.910 54.004 53.050 0.074 0.000 0.869 279 N CB -0.163 38.357 38.487 0.055 0.000 1.000 279 N HN 0.262 nan 8.380 nan 0.000 0.431 280 I N 0.096 120.669 120.570 0.004 0.000 2.916 280 I HA -0.130 4.040 4.170 -0.000 0.000 0.267 280 I C 1.222 177.331 176.117 -0.015 0.000 1.263 280 I CA 0.420 61.712 61.300 -0.013 0.000 1.471 280 I CB 0.271 38.248 38.000 -0.037 0.000 1.089 280 I HN -0.030 nan 8.210 nan 0.000 0.468 281 V N -1.093 118.814 119.914 -0.010 0.000 3.151 281 V HA 0.132 4.252 4.120 -0.000 0.000 0.241 281 V C 0.923 177.030 176.094 0.022 0.000 1.173 281 V CA 0.126 62.411 62.300 -0.024 0.000 1.154 281 V CB 0.534 32.296 31.823 -0.103 0.000 0.898 281 V HN -0.063 nan 8.190 nan 0.000 0.473 282 V N 2.901 122.856 119.914 0.067 0.000 2.555 282 V HA 0.238 4.358 4.120 -0.000 0.000 0.286 282 V C -2.097 174.032 176.094 0.058 0.000 1.044 282 V CA -1.466 60.888 62.300 0.090 0.000 1.026 282 V CB 0.923 32.829 31.823 0.138 0.000 0.981 282 V HN 0.356 nan 8.190 nan 0.000 0.480 283 P HA 0.033 nan 4.420 nan 0.000 0.253 283 P C -2.362 174.958 177.300 0.033 0.000 1.159 283 P CA -0.526 62.595 63.100 0.035 0.000 0.779 283 P CB -0.438 31.282 31.700 0.033 0.000 0.745 284 P HA -0.133 nan 4.420 nan 0.000 0.265 284 P C 0.871 178.183 177.300 0.020 0.000 1.167 284 P CA 0.745 63.859 63.100 0.023 0.000 0.760 284 P CB 0.320 32.030 31.700 0.017 0.000 0.783 285 S N 1.815 117.526 115.700 0.019 0.000 2.524 285 S HA 0.247 4.717 4.470 -0.000 0.000 0.215 285 S C 1.478 176.082 174.600 0.008 0.000 0.986 285 S CA 0.587 58.794 58.200 0.013 0.000 0.911 285 S CB -0.497 62.711 63.200 0.013 0.000 0.805 285 S HN 0.762 nan 8.310 nan 0.000 0.501 286 G N 0.643 109.449 108.800 0.009 0.000 2.176 286 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.253 286 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.253 286 G C -0.102 174.802 174.900 0.005 0.000 0.979 286 G CA 0.430 45.534 45.100 0.006 0.000 0.641 286 G HN 0.708 nan 8.290 nan 0.000 0.530 287 K N 0.174 120.578 120.400 0.006 0.000 2.422 287 K HA 0.797 5.117 4.320 -0.000 0.000 0.251 287 K C -0.760 175.844 176.600 0.008 0.000 0.933 287 K CA -0.739 55.551 56.287 0.005 0.000 0.798 287 K CB 2.090 34.591 32.500 0.001 0.000 1.238 287 K HN 0.965 nan 8.250 nan 0.000 0.428 288 L N 2.680 123.907 121.223 0.008 0.000 4.947 288 L HA 0.137 4.477 4.340 -0.000 0.000 0.232 288 L C -2.011 174.865 176.870 0.011 0.000 1.064 288 L CA -0.655 54.191 54.840 0.010 0.000 0.907 288 L CB -0.425 41.643 42.059 0.014 0.000 1.524 288 L HN 0.735 nan 8.230 nan 0.000 0.332 289 L N 1.346 122.576 121.223 0.012 0.000 1.791 289 L HA 0.338 4.678 4.340 -0.000 0.000 0.194 289 L C 0.148 177.025 176.870 0.013 0.000 1.229 289 L CA 1.798 56.645 54.840 0.012 0.000 1.234 289 L CB 0.366 42.434 42.059 0.015 0.000 2.550 289 L HN 1.028 nan 8.230 nan 0.000 0.511 290 T N -0.788 113.776 114.554 0.016 0.000 2.956 290 T HA 0.742 5.092 4.350 -0.000 0.000 0.312 290 T C 0.010 174.723 174.700 0.022 0.000 1.151 290 T CA -0.037 62.074 62.100 0.018 0.000 1.024 290 T CB 2.440 71.317 68.868 0.015 0.000 1.140 290 T HN 0.675 nan 8.240 nan 0.000 0.473 291 G N 1.032 109.847 108.800 0.025 0.000 2.253 291 G HA2 0.327 4.287 3.960 -0.000 0.000 0.190 291 G HA3 0.327 4.287 3.960 -0.000 0.000 0.190 291 G C 0.001 174.914 174.900 0.022 0.000 1.274 291 G CA -0.261 44.854 45.100 0.025 0.000 1.275 291 G HN 1.250 nan 8.290 nan 0.000 0.518 292 G N 0.395 109.206 108.800 0.019 0.000 2.439 292 G HA2 0.619 4.579 3.960 -0.000 0.000 0.298 292 G HA3 0.619 4.579 3.960 -0.000 0.000 0.298 292 G C -0.149 174.764 174.900 0.022 0.000 1.044 292 G CA 0.840 45.951 45.100 0.019 0.000 1.168 292 G HN 1.792 nan 8.290 nan 0.000 0.433 293 V N 2.995 122.924 119.914 0.025 0.000 2.588 293 V HA 0.400 4.520 4.120 -0.000 0.000 0.304 293 V C -0.273 175.838 176.094 0.027 0.000 1.042 293 V CA -1.138 61.181 62.300 0.031 0.000 0.877 293 V CB 1.746 33.592 31.823 0.038 0.000 0.996 293 V HN 0.601 nan 8.190 nan 0.000 0.425 294 D N 6.553 126.972 120.400 0.031 0.000 2.383 294 D HA 0.194 4.834 4.640 -0.000 0.000 0.233 294 D C -1.707 174.605 176.300 0.021 0.000 1.233 294 D CA 0.526 54.543 54.000 0.028 0.000 0.881 294 D CB 0.594 41.416 40.800 0.038 0.000 1.212 294 D HN 0.654 nan 8.370 nan 0.000 0.467 295 P HA -0.276 nan 4.420 nan 0.000 0.295 295 P C -0.696 176.614 177.300 0.018 0.000 1.643 295 P CA 2.499 65.604 63.100 0.010 0.000 1.504 295 P CB -0.660 31.050 31.700 0.017 0.000 0.616 296 A N -4.020 118.827 122.820 0.045 0.000 2.397 296 A HA 0.520 4.840 4.320 -0.000 0.000 0.221 296 A C 0.081 177.714 177.584 0.083 0.000 2.888 296 A CA 1.001 53.066 52.037 0.048 0.000 1.593 296 A CB -1.111 17.907 19.000 0.030 0.000 0.163 296 A HN 0.781 nan 8.150 nan 0.000 0.568 297 A N -1.704 121.181 122.820 0.108 0.000 2.548 297 A HA 0.923 5.243 4.320 -0.000 0.000 0.262 297 A C 0.977 178.594 177.584 0.055 0.000 1.271 297 A CA 0.238 52.322 52.037 0.080 0.000 0.839 297 A CB 0.059 19.125 19.000 0.111 0.000 1.381 297 A HN 1.390 nan 8.150 nan 0.000 0.468 298 L N -2.776 118.457 121.223 0.016 0.000 3.542 298 L HA -0.333 4.007 4.340 -0.000 0.000 0.060 298 L C 1.688 178.515 176.870 -0.071 0.000 4.389 298 L CA 3.090 57.910 54.840 -0.034 0.000 0.557 298 L CB -2.172 39.859 42.059 -0.048 0.000 3.528 298 L HN 1.163 nan 8.230 nan 0.000 0.847 299 Y N 0.400 120.631 120.300 -0.115 0.000 2.365 299 Y HA -0.213 4.336 4.550 -0.000 0.000 0.287 299 Y C 2.236 178.065 175.900 -0.119 0.000 1.162 299 Y CA 2.424 60.464 58.100 -0.102 0.000 1.260 299 Y CB -0.130 38.289 38.460 -0.068 0.000 0.976 299 Y HN 0.234 nan 8.280 nan 0.000 0.548 300 K N 0.309 120.396 120.400 -0.522 0.000 2.044 300 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 300 K C -0.425 175.788 176.600 -0.644 0.000 1.045 300 K CA 1.111 56.909 56.287 -0.815 0.000 0.951 300 K CB -1.529 30.283 32.500 -1.147 0.000 0.738 300 K HN 0.283 nan 8.250 nan 0.000 0.443 301 P HA -0.147 nan 4.420 nan 0.000 0.218 301 P C 1.054 178.512 177.300 0.263 0.000 1.148 301 P CA 1.374 64.426 63.100 -0.080 0.000 0.822 301 P CB 0.036 31.795 31.700 0.098 0.000 0.784 302 K N -0.078 120.442 120.400 0.199 0.000 2.057 302 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 302 K C 2.517 179.213 176.600 0.161 0.000 1.049 302 K CA 1.157 57.588 56.287 0.241 0.000 0.931 302 K CB -0.258 32.220 32.500 -0.036 0.000 0.714 302 K HN 0.030 nan 8.250 nan 0.000 0.440 303 R N -0.226 120.237 120.500 -0.062 0.000 2.127 303 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 303 R C 2.135 178.469 176.300 0.057 0.000 1.134 303 R CA 1.276 57.335 56.100 -0.069 0.000 0.975 303 R CB -0.220 29.913 30.300 -0.277 0.000 0.865 303 R HN 0.164 nan 8.270 nan 0.000 0.447 304 F N 0.107 120.043 119.950 -0.023 0.000 2.022 304 F HA -0.249 4.278 4.527 0.001 0.000 0.293 304 F C 2.020 177.900 175.800 0.133 0.000 1.142 304 F CA 1.452 59.471 58.000 0.031 0.000 1.177 304 F CB -0.558 38.459 39.000 0.028 0.000 0.982 304 F HN -0.102 nan 8.300 nan 0.000 0.473 305 F N 1.364 121.519 119.950 0.342 0.000 2.111 305 F HA -0.195 4.332 4.527 0.001 0.000 0.300 305 F C 2.383 178.251 175.800 0.113 0.000 1.088 305 F CA 1.728 59.846 58.000 0.197 0.000 1.243 305 F CB -1.263 37.843 39.000 0.178 0.000 0.996 305 F HN 0.063 nan 8.300 nan 0.000 0.483 306 G N -1.316 107.574 108.800 0.151 0.000 2.598 306 G HA2 0.013 3.973 3.960 -0.000 0.000 0.215 306 G HA3 0.013 3.973 3.960 -0.000 0.000 0.215 306 G C 1.751 176.645 174.900 -0.011 0.000 1.131 306 G CA 0.517 45.623 45.100 0.012 0.000 0.785 306 G HN 0.583 nan 8.290 nan 0.000 0.539 307 A N 0.496 123.312 122.820 -0.007 0.000 2.067 307 A HA 0.519 4.839 4.320 -0.000 0.000 0.219 307 A C 1.784 179.424 177.584 0.094 0.000 1.158 307 A CA 1.037 53.103 52.037 0.050 0.000 0.661 307 A CB -0.382 18.528 19.000 -0.150 0.000 0.801 307 A HN 0.764 nan 8.150 nan 0.000 0.452 308 A N 0.694 123.491 122.820 -0.039 0.000 2.477 308 A HA 0.518 4.838 4.320 -0.000 0.000 0.246 308 A C 0.573 178.131 177.584 -0.044 0.000 1.078 308 A CA 0.364 52.376 52.037 -0.042 0.000 0.770 308 A CB -0.065 18.853 19.000 -0.136 0.000 1.011 308 A HN 0.901 nan 8.150 nan 0.000 0.494 309 R N 1.270 121.765 120.500 -0.008 0.000 3.112 309 R HA 0.228 4.568 4.340 -0.000 0.000 0.271 309 R C -1.549 174.729 176.300 -0.037 0.000 1.008 309 R CA -0.852 55.214 56.100 -0.057 0.000 0.903 309 R CB 0.360 30.605 30.300 -0.093 0.000 1.267 309 R HN 0.593 nan 8.270 nan 0.000 0.514 310 N N 0.634 119.296 118.700 -0.063 0.000 2.495 310 N HA 0.479 5.219 4.740 -0.000 0.000 0.280 310 N C -1.146 174.308 175.510 -0.093 0.000 1.168 310 N CA 0.338 53.355 53.050 -0.054 0.000 0.978 310 N CB 1.728 40.190 38.487 -0.041 0.000 1.191 310 N HN 0.731 nan 8.380 nan 0.000 0.497 311 T N -1.306 113.196 114.554 -0.088 0.000 2.901 311 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 311 T C 0.628 175.278 174.700 -0.083 0.000 1.084 311 T CA -0.699 61.329 62.100 -0.120 0.000 1.008 311 T CB 2.021 70.793 68.868 -0.160 0.000 1.170 311 T HN 0.449 nan 8.240 nan 0.000 0.509 312 R N -0.486 119.964 120.500 -0.085 0.000 2.237 312 R HA 0.295 4.635 4.340 -0.000 0.000 0.195 312 R C 1.014 177.279 176.300 -0.057 0.000 0.956 312 R CA 0.673 56.736 56.100 -0.062 0.000 1.029 312 R CB 0.223 30.488 30.300 -0.059 0.000 0.972 312 R HN 0.734 nan 8.270 nan 0.000 0.493 313 E N -1.620 118.539 120.200 -0.067 0.000 2.562 313 E HA 0.319 4.669 4.350 -0.000 0.000 0.214 313 E C 0.053 176.619 176.600 -0.057 0.000 0.979 313 E CA 0.131 56.495 56.400 -0.060 0.000 1.002 313 E CB 1.819 31.482 29.700 -0.063 0.000 1.048 313 E HN 0.317 nan 8.360 nan 0.000 0.488 314 G N -0.833 107.934 108.800 -0.054 0.000 2.871 314 G HA2 0.540 4.500 3.960 -0.000 0.000 0.282 314 G HA3 0.540 4.500 3.960 -0.000 0.000 0.282 314 G C 0.170 175.060 174.900 -0.016 0.000 1.212 314 G CA -0.246 44.835 45.100 -0.032 0.000 0.812 314 G HN 0.127 nan 8.290 nan 0.000 0.547 315 G N -0.473 108.344 108.800 0.028 0.000 2.546 315 G HA2 0.527 4.487 3.960 -0.000 0.000 0.239 315 G HA3 0.527 4.487 3.960 -0.000 0.000 0.239 315 G C 0.176 175.105 174.900 0.047 0.000 1.476 315 G CA 0.876 46.006 45.100 0.051 0.000 1.064 315 G HN 1.712 nan 8.290 nan 0.000 0.561 316 S N -1.872 113.877 115.700 0.082 0.000 2.564 316 S HA 0.611 5.081 4.470 -0.000 0.000 0.274 316 S C -1.420 173.258 174.600 0.130 0.000 1.124 316 S CA -0.736 57.508 58.200 0.074 0.000 0.869 316 S CB 1.983 65.199 63.200 0.026 0.000 1.105 316 S HN 0.899 nan 8.310 nan 0.000 0.472 317 L N 1.860 123.161 121.223 0.130 0.000 2.343 317 L HA 0.654 4.994 4.340 -0.000 0.000 0.278 317 L C -0.673 176.256 176.870 0.098 0.000 0.996 317 L CA 0.158 55.075 54.840 0.129 0.000 0.831 317 L CB 1.584 43.731 42.059 0.146 0.000 1.232 317 L HN 0.900 nan 8.230 nan 0.000 0.413 318 T N 6.645 121.272 114.554 0.123 0.000 2.767 318 T HA 0.594 4.944 4.350 -0.000 0.000 0.288 318 T C -0.062 174.692 174.700 0.090 0.000 0.963 318 T CA 0.028 62.204 62.100 0.128 0.000 1.019 318 T CB 0.524 69.534 68.868 0.237 0.000 0.923 318 T HN 0.422 nan 8.240 nan 0.000 0.468 319 I N 4.661 125.279 120.570 0.079 0.000 2.410 319 I HA 0.371 4.541 4.170 -0.000 0.000 0.286 319 I C -0.712 175.524 176.117 0.197 0.000 1.009 319 I CA -0.840 60.541 61.300 0.136 0.000 1.111 319 I CB 1.444 39.540 38.000 0.160 0.000 1.262 319 I HN 0.360 nan 8.210 nan 0.000 0.443 320 I N 5.758 126.433 120.570 0.176 0.000 2.328 320 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 320 I C 0.344 176.559 176.117 0.164 0.000 1.012 320 I CA -0.375 61.031 61.300 0.177 0.000 1.195 320 I CB 1.330 39.389 38.000 0.098 0.000 1.350 320 I HN 0.522 nan 8.210 nan 0.000 0.464 321 A N 5.022 127.949 122.820 0.178 0.000 2.342 321 A HA 0.726 5.046 4.320 -0.000 0.000 0.323 321 A C 0.303 177.858 177.584 -0.048 0.000 1.125 321 A CA -0.532 51.516 52.037 0.017 0.000 0.785 321 A CB 0.897 19.809 19.000 -0.148 0.000 1.221 321 A HN 0.729 nan 8.150 nan 0.000 0.463 322 T N -0.012 114.507 114.554 -0.059 0.000 2.907 322 T HA 0.588 4.938 4.350 -0.000 0.000 0.298 322 T C 0.073 174.710 174.700 -0.105 0.000 1.017 322 T CA 0.171 62.239 62.100 -0.055 0.000 1.118 322 T CB 1.227 70.072 68.868 -0.038 0.000 0.948 322 T HN 1.548 nan 8.240 nan 0.000 0.531 323 A N 4.255 127.041 122.820 -0.057 0.000 2.310 323 A HA 0.618 4.938 4.320 -0.000 0.000 0.304 323 A C -0.008 177.565 177.584 -0.017 0.000 1.231 323 A CA -0.983 51.035 52.037 -0.031 0.000 0.799 323 A CB 0.484 19.536 19.000 0.087 0.000 1.162 323 A HN 0.929 nan 8.150 nan 0.000 0.486 324 L N 3.071 124.273 121.223 -0.035 0.000 2.313 324 L HA 0.491 4.831 4.340 -0.000 0.000 0.282 324 L C -0.089 176.728 176.870 -0.088 0.000 1.092 324 L CA -0.375 54.434 54.840 -0.052 0.000 0.831 324 L CB 0.916 42.950 42.059 -0.042 0.000 1.159 324 L HN 0.442 nan 8.230 nan 0.000 0.442 325 V N 3.054 122.885 119.914 -0.138 0.000 3.074 325 V HA 0.288 4.408 4.120 -0.000 0.000 0.314 325 V C -0.004 176.006 176.094 -0.140 0.000 1.117 325 V CA -0.336 61.831 62.300 -0.221 0.000 1.014 325 V CB 1.977 33.558 31.823 -0.403 0.000 1.057 325 V HN 0.946 nan 8.190 nan 0.000 0.438 326 E N 1.067 121.187 120.200 -0.134 0.000 2.320 326 E HA -0.225 4.125 4.350 -0.000 0.000 0.234 326 E C 0.898 177.467 176.600 -0.052 0.000 1.183 326 E CA 0.659 57.010 56.400 -0.082 0.000 0.713 326 E CB -1.161 28.493 29.700 -0.077 0.000 1.226 326 E HN 0.994 nan 8.360 nan 0.000 0.382 327 T N -4.861 109.667 114.554 -0.044 0.000 3.044 327 T HA 0.347 4.697 4.350 -0.000 0.000 0.255 327 T C 1.574 176.265 174.700 -0.015 0.000 1.073 327 T CA 0.762 62.847 62.100 -0.026 0.000 1.125 327 T CB 0.916 69.771 68.868 -0.021 0.000 0.908 327 T HN 0.655 nan 8.240 nan 0.000 0.480 328 G N 1.245 110.037 108.800 -0.014 0.000 2.481 328 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.200 328 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.200 328 G C 0.327 175.226 174.900 -0.001 0.000 1.012 328 G CA 0.101 45.197 45.100 -0.006 0.000 0.676 328 G HN 1.223 nan 8.290 nan 0.000 0.488 329 S N -0.488 115.212 115.700 -0.000 0.000 2.664 329 S HA 0.890 5.360 4.470 -0.000 0.000 0.304 329 S C 0.164 174.770 174.600 0.010 0.000 1.099 329 S CA 0.804 59.009 58.200 0.007 0.000 1.003 329 S CB 3.039 66.245 63.200 0.009 0.000 1.092 329 S HN 1.118 nan 8.310 nan 0.000 0.525 330 K N -0.419 119.994 120.400 0.022 0.000 8.084 330 K HA -0.182 4.138 4.320 -0.000 0.000 0.197 330 K C 1.427 178.047 176.600 0.034 0.000 1.589 330 K CA 0.603 56.904 56.287 0.024 0.000 0.954 330 K CB -1.292 31.218 32.500 0.017 0.000 0.365 330 K HN 0.626 nan 8.250 nan 0.000 0.433 331 M N 1.489 121.107 119.600 0.030 0.000 2.254 331 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 331 M C 0.778 177.109 176.300 0.051 0.000 1.066 331 M CA 2.299 57.621 55.300 0.038 0.000 1.123 331 M CB -0.174 32.444 32.600 0.029 0.000 1.388 331 M HN 0.313 nan 8.290 nan 0.000 0.425 332 D N 1.083 121.509 120.400 0.042 0.000 2.087 332 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 332 D C 1.781 178.135 176.300 0.089 0.000 0.993 332 D CA 1.815 55.846 54.000 0.051 0.000 0.828 332 D CB -0.471 40.341 40.800 0.021 0.000 0.968 332 D HN 0.503 nan 8.370 nan 0.000 0.448 333 E N -0.026 120.217 120.200 0.072 0.000 2.108 333 E HA -0.186 4.164 4.350 -0.000 0.000 0.203 333 E C 2.196 178.887 176.600 0.152 0.000 1.022 333 E CA 1.183 57.647 56.400 0.107 0.000 0.823 333 E CB -0.048 29.693 29.700 0.067 0.000 0.744 333 E HN 0.062 nan 8.360 nan 0.000 0.456 334 V N 0.751 120.729 119.914 0.107 0.000 2.490 334 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 334 V C 2.091 178.256 176.094 0.119 0.000 1.061 334 V CA 1.519 63.876 62.300 0.096 0.000 1.064 334 V CB -0.370 31.491 31.823 0.062 0.000 0.670 334 V HN 0.280 nan 8.190 nan 0.000 0.461 335 I N -1.132 119.532 120.570 0.157 0.000 2.406 335 I HA -0.176 3.994 4.170 -0.000 0.000 0.249 335 I C 2.234 178.534 176.117 0.305 0.000 1.122 335 I CA 1.419 62.852 61.300 0.222 0.000 1.431 335 I CB -0.327 37.802 38.000 0.215 0.000 1.087 335 I HN 0.313 nan 8.210 nan 0.000 0.424 336 F N 1.970 121.994 119.950 0.124 0.000 2.171 336 F HA -0.211 4.316 4.527 0.000 0.000 0.300 336 F C 2.462 178.338 175.800 0.126 0.000 1.090 336 F CA 1.588 59.657 58.000 0.114 0.000 1.293 336 F CB -0.133 38.899 39.000 0.053 0.000 1.013 336 F HN -0.019 nan 8.300 nan 0.000 0.486 337 E N 0.494 120.783 120.200 0.148 0.000 2.038 337 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 337 E C 2.091 178.660 176.600 -0.051 0.000 1.000 337 E CA 1.385 57.805 56.400 0.034 0.000 0.803 337 E CB -0.439 29.313 29.700 0.087 0.000 0.750 337 E HN 0.402 nan 8.360 nan 0.000 0.448 338 E N -0.546 119.636 120.200 -0.030 0.000 2.418 338 E HA -0.060 4.290 4.350 -0.000 0.000 0.197 338 E C 1.099 177.536 176.600 -0.272 0.000 1.026 338 E CA 0.273 56.587 56.400 -0.143 0.000 0.862 338 E CB -0.237 29.354 29.700 -0.181 0.000 0.799 338 E HN 0.233 nan 8.360 nan 0.000 0.518 339 F N 0.358 120.228 119.950 -0.133 0.000 2.639 339 F HA 0.173 4.699 4.527 -0.000 0.000 0.300 339 F C 0.946 176.646 175.800 -0.166 0.000 1.109 339 F CA -0.243 57.682 58.000 -0.124 0.000 1.335 339 F CB 0.430 39.339 39.000 -0.153 0.000 1.014 339 F HN -0.318 nan 8.300 nan 0.000 0.537 340 K N 0.151 120.491 120.400 -0.100 0.000 2.322 340 K HA 0.373 4.693 4.320 -0.000 0.000 0.283 340 K C 1.126 177.714 176.600 -0.021 0.000 1.042 340 K CA 0.763 56.973 56.287 -0.130 0.000 0.958 340 K CB 0.544 32.956 32.500 -0.145 0.000 0.984 340 K HN 0.340 nan 8.250 nan 0.000 0.473 341 G N 2.458 111.269 108.800 0.018 0.000 2.143 341 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.248 341 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.248 341 G C 0.614 175.563 174.900 0.080 0.000 0.991 341 G CA 0.838 45.967 45.100 0.049 0.000 0.689 341 G HN 0.760 nan 8.290 nan 0.000 0.522 342 T N -2.326 112.315 114.554 0.145 0.000 3.031 342 T HA 0.469 4.819 4.350 -0.000 0.000 0.254 342 T C 1.634 176.419 174.700 0.142 0.000 1.060 342 T CA 1.310 63.523 62.100 0.189 0.000 1.135 342 T CB 0.491 69.595 68.868 0.392 0.000 0.896 342 T HN 1.315 nan 8.240 nan 0.000 0.472 343 G N 1.728 110.653 108.800 0.208 0.000 2.547 343 G HA2 0.453 4.413 3.960 -0.000 0.000 0.291 343 G HA3 0.453 4.413 3.960 -0.000 0.000 0.291 343 G C 0.078 175.032 174.900 0.090 0.000 1.211 343 G CA -0.547 44.630 45.100 0.129 0.000 0.950 343 G HN 0.479 nan 8.290 nan 0.000 0.504 344 N N -1.884 116.862 118.700 0.076 0.000 2.143 344 N HA 0.178 4.918 4.740 -0.000 0.000 0.229 344 N C -0.041 175.543 175.510 0.124 0.000 1.294 344 N CA -0.244 52.873 53.050 0.111 0.000 0.883 344 N CB 0.820 39.384 38.487 0.128 0.000 1.148 344 N HN 0.414 nan 8.380 nan 0.000 0.511 345 M N 0.460 120.137 119.600 0.130 0.000 2.421 345 M HA 0.437 4.917 4.480 -0.000 0.000 0.287 345 M C -2.051 174.343 176.300 0.156 0.000 1.183 345 M CA 0.031 55.413 55.300 0.137 0.000 0.916 345 M CB 2.575 35.254 32.600 0.131 0.000 1.701 345 M HN 0.085 nan 8.290 nan 0.000 0.470 346 E N 3.631 123.919 120.200 0.147 0.000 2.263 346 E HA 0.443 4.792 4.350 -0.000 0.000 0.268 346 E C -1.846 174.833 176.600 0.132 0.000 0.884 346 E CA -0.529 55.960 56.400 0.149 0.000 0.766 346 E CB 2.782 32.572 29.700 0.149 0.000 1.196 346 E HN 0.703 nan 8.360 nan 0.000 0.416 347 L N 5.175 126.471 121.223 0.121 0.000 2.318 347 L HA 0.448 4.788 4.340 -0.000 0.000 0.277 347 L C -1.224 175.696 176.870 0.084 0.000 1.008 347 L CA -0.700 54.200 54.840 0.099 0.000 0.846 347 L CB 1.366 43.480 42.059 0.092 0.000 1.220 347 L HN 0.316 nan 8.230 nan 0.000 0.423 348 V N 6.068 126.024 119.914 0.070 0.000 2.383 348 V HA 0.389 4.508 4.120 -0.000 0.000 0.275 348 V C 0.342 176.450 176.094 0.023 0.000 1.036 348 V CA -0.430 61.901 62.300 0.052 0.000 0.889 348 V CB 1.695 33.552 31.823 0.056 0.000 0.985 348 V HN 0.572 nan 8.190 nan 0.000 0.459 349 L N 3.679 124.911 121.223 0.014 0.000 2.334 349 L HA 0.594 4.934 4.340 -0.000 0.000 0.275 349 L C 0.357 177.218 176.870 -0.016 0.000 1.036 349 L CA -0.299 54.544 54.840 0.006 0.000 0.807 349 L CB 1.774 43.849 42.059 0.027 0.000 1.231 349 L HN 0.609 nan 8.230 nan 0.000 0.438 350 S N 1.872 117.552 115.700 -0.034 0.000 2.429 350 S HA 0.220 4.689 4.470 -0.000 0.000 0.302 350 S C 0.989 175.556 174.600 -0.054 0.000 1.115 350 S CA -0.683 57.487 58.200 -0.050 0.000 1.095 350 S CB 1.099 64.259 63.200 -0.067 0.000 0.987 350 S HN 0.748 nan 8.310 nan 0.000 0.474 351 R N 3.649 124.122 120.500 -0.045 0.000 2.080 351 R HA -0.201 4.139 4.340 -0.000 0.000 0.236 351 R C 2.172 178.441 176.300 -0.052 0.000 1.137 351 R CA 2.474 58.550 56.100 -0.040 0.000 0.943 351 R CB -0.682 29.596 30.300 -0.037 0.000 0.846 351 R HN 0.946 nan 8.270 nan 0.000 0.431 352 Q N 0.529 120.295 119.800 -0.056 0.000 2.061 352 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 352 Q C 2.103 178.048 176.000 -0.092 0.000 0.984 352 Q CA 2.066 57.832 55.803 -0.062 0.000 0.846 352 Q CB -0.441 28.266 28.738 -0.053 0.000 0.902 352 Q HN 0.492 nan 8.270 nan 0.000 0.421 353 L N 0.395 121.549 121.223 -0.116 0.000 2.465 353 L HA 0.021 4.361 4.340 -0.000 0.000 0.224 353 L C 2.519 179.214 176.870 -0.291 0.000 1.145 353 L CA 0.411 55.145 54.840 -0.178 0.000 0.834 353 L CB -0.540 41.416 42.059 -0.172 0.000 0.944 353 L HN 0.381 nan 8.230 nan 0.000 0.451 354 A N 0.719 123.401 122.820 -0.229 0.000 1.872 354 A HA -0.128 4.192 4.320 -0.000 0.000 0.214 354 A C 1.915 179.402 177.584 -0.162 0.000 1.187 354 A CA 1.284 53.169 52.037 -0.254 0.000 0.614 354 A CB -0.401 18.578 19.000 -0.035 0.000 0.826 354 A HN 0.398 nan 8.150 nan 0.000 0.442 355 N N 0.209 118.859 118.700 -0.083 0.000 2.573 355 N HA -0.059 4.681 4.740 -0.000 0.000 0.187 355 N C 0.924 176.403 175.510 -0.051 0.000 1.107 355 N CA 0.881 53.909 53.050 -0.037 0.000 0.918 355 N CB -0.082 38.389 38.487 -0.027 0.000 0.966 355 N HN 0.571 nan 8.380 nan 0.000 0.448 356 K N -0.123 120.211 120.400 -0.110 0.000 2.374 356 K HA 0.202 4.522 4.320 -0.000 0.000 0.202 356 K C 0.138 176.665 176.600 -0.121 0.000 1.040 356 K CA -0.199 56.029 56.287 -0.097 0.000 1.085 356 K CB 0.962 33.399 32.500 -0.105 0.000 0.873 356 K HN -0.108 nan 8.250 nan 0.000 0.539 357 R N 1.108 121.487 120.500 -0.201 0.000 3.822 357 R HA -0.118 4.222 4.340 -0.000 0.000 0.366 357 R C -1.144 174.980 176.300 -0.292 0.000 1.137 357 R CA 0.361 56.380 56.100 -0.135 0.000 0.933 357 R CB -2.360 27.967 30.300 0.045 0.000 1.522 357 R HN 0.153 nan 8.270 nan 0.000 0.519 358 I N 2.172 122.427 120.570 -0.524 0.000 2.291 358 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 358 I C -0.275 175.495 176.117 -0.579 0.000 1.050 358 I CA -0.431 60.644 61.300 -0.375 0.000 1.245 358 I CB 0.440 38.303 38.000 -0.229 0.000 1.405 358 I HN -0.071 nan 8.210 nan 0.000 0.478 359 F N 6.760 126.718 119.950 0.014 0.000 2.532 359 F HA 0.532 5.059 4.527 -0.001 0.000 0.321 359 F C -1.962 173.872 175.800 0.057 0.000 1.089 359 F CA -2.457 55.559 58.000 0.026 0.000 0.926 359 F CB 1.123 40.139 39.000 0.028 0.000 1.168 359 F HN 0.279 nan 8.300 nan 0.000 0.459 360 P HA 0.246 nan 4.420 nan 0.000 0.280 360 P C -0.624 176.717 177.300 0.067 0.000 1.244 360 P CA -0.432 62.797 63.100 0.214 0.000 0.784 360 P CB 1.270 33.061 31.700 0.151 0.000 0.913 361 A N 4.480 127.338 122.820 0.063 0.000 3.004 361 A HA 0.204 4.524 4.320 -0.000 0.000 0.252 361 A C 0.557 178.118 177.584 -0.038 0.000 1.802 361 A CA -0.242 51.748 52.037 -0.077 0.000 1.424 361 A CB -1.524 17.419 19.000 -0.095 0.000 1.005 361 A HN 0.501 nan 8.150 nan 0.000 0.631 362 I N 0.480 121.023 120.570 -0.045 0.000 2.353 362 I HA 0.122 4.292 4.170 -0.000 0.000 0.293 362 I C 0.580 176.650 176.117 -0.079 0.000 0.992 362 I CA -0.346 60.928 61.300 -0.045 0.000 1.268 362 I CB 1.483 39.458 38.000 -0.041 0.000 1.387 362 I HN 0.496 nan 8.210 nan 0.000 0.478 363 N N 6.207 124.873 118.700 -0.057 0.000 2.482 363 N HA 0.223 4.963 4.740 -0.000 0.000 0.242 363 N C 0.902 176.368 175.510 -0.074 0.000 1.100 363 N CA -0.357 52.655 53.050 -0.062 0.000 0.946 363 N CB 0.655 39.124 38.487 -0.030 0.000 1.227 363 N HN 0.621 nan 8.380 nan 0.000 0.508 364 L N 2.811 123.940 121.223 -0.158 0.000 2.017 364 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 364 L C 1.812 178.645 176.870 -0.061 0.000 1.073 364 L CA 0.684 55.377 54.840 -0.245 0.000 0.745 364 L CB -0.276 41.388 42.059 -0.658 0.000 0.894 364 L HN 0.563 nan 8.230 nan 0.000 0.432 365 L N -0.677 120.530 121.223 -0.027 0.000 2.127 365 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 365 L C 2.113 179.027 176.870 0.072 0.000 1.089 365 L CA 1.522 56.395 54.840 0.054 0.000 0.757 365 L CB -0.769 41.312 42.059 0.037 0.000 0.899 365 L HN 0.200 nan 8.230 nan 0.000 0.434 366 L N -1.983 119.270 121.223 0.050 0.000 2.567 366 L HA 0.158 4.498 4.340 -0.000 0.000 0.225 366 L C 0.899 177.823 176.870 0.090 0.000 1.119 366 L CA 0.472 55.353 54.840 0.068 0.000 0.871 366 L CB -0.461 41.630 42.059 0.053 0.000 1.036 366 L HN 0.028 nan 8.230 nan 0.000 0.459 367 S N -0.922 114.834 115.700 0.093 0.000 2.541 367 S HA 0.806 5.276 4.470 -0.000 0.000 0.283 367 S C 0.252 174.949 174.600 0.162 0.000 1.196 367 S CA -0.183 58.087 58.200 0.118 0.000 1.062 367 S CB 1.743 65.002 63.200 0.098 0.000 1.009 367 S HN 0.356 nan 8.310 nan 0.000 0.502 368 G N 0.511 109.404 108.800 0.156 0.000 2.506 368 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 368 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 368 G C -1.238 173.743 174.900 0.135 0.000 1.425 368 G CA -0.444 44.751 45.100 0.159 0.000 0.788 368 G HN 0.733 nan 8.290 nan 0.000 0.490 369 T N -0.984 113.641 114.554 0.118 0.000 2.886 369 T HA 0.645 4.995 4.350 -0.000 0.000 0.292 369 T C -0.102 174.650 174.700 0.086 0.000 1.012 369 T CA -0.613 61.550 62.100 0.105 0.000 0.982 369 T CB 1.317 70.245 68.868 0.100 0.000 1.018 369 T HN 0.668 nan 8.240 nan 0.000 0.451 370 R N 2.928 123.483 120.500 0.091 0.000 2.594 370 R HA 0.388 4.728 4.340 -0.000 0.000 0.272 370 R C 0.478 176.769 176.300 -0.015 0.000 1.074 370 R CA -0.674 55.461 56.100 0.060 0.000 1.105 370 R CB 0.248 30.610 30.300 0.103 0.000 1.008 370 R HN 0.670 nan 8.270 nan 0.000 0.472 371 R N 1.480 121.923 120.500 -0.095 0.000 3.333 371 R HA -0.195 4.145 4.340 -0.000 0.000 0.256 371 R C 0.575 176.809 176.300 -0.110 0.000 1.010 371 R CA 1.297 57.280 56.100 -0.195 0.000 0.680 371 R CB -1.470 28.506 30.300 -0.540 0.000 1.102 371 R HN 0.913 nan 8.270 nan 0.000 0.440 372 E N -0.057 120.113 120.200 -0.050 0.000 2.478 372 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 372 E C 0.454 177.008 176.600 -0.076 0.000 1.046 372 E CA 1.095 57.469 56.400 -0.044 0.000 0.870 372 E CB 0.122 29.805 29.700 -0.028 0.000 0.818 372 E HN 0.462 nan 8.360 nan 0.000 0.527 373 E N 1.221 121.373 120.200 -0.080 0.000 2.347 373 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 373 E C 1.809 178.362 176.600 -0.078 0.000 1.008 373 E CA 0.625 56.972 56.400 -0.088 0.000 0.852 373 E CB -0.236 29.427 29.700 -0.063 0.000 0.783 373 E HN 0.343 nan 8.360 nan 0.000 0.505 374 L N -0.226 120.951 121.223 -0.077 0.000 2.478 374 L HA -0.009 4.331 4.340 -0.000 0.000 0.223 374 L C 1.077 177.917 176.870 -0.049 0.000 1.140 374 L CA 0.261 55.064 54.840 -0.061 0.000 0.842 374 L CB 0.007 42.029 42.059 -0.062 0.000 0.953 374 L HN 0.180 nan 8.230 nan 0.000 0.452 375 L N -1.305 119.887 121.223 -0.051 0.000 2.577 375 L HA 0.300 4.640 4.340 -0.000 0.000 0.225 375 L C 0.486 177.328 176.870 -0.046 0.000 1.053 375 L CA 0.766 55.582 54.840 -0.039 0.000 0.866 375 L CB 0.136 42.182 42.059 -0.021 0.000 1.132 375 L HN -0.003 nan 8.230 nan 0.000 0.486 376 L N 0.490 121.670 121.223 -0.072 0.000 2.346 376 L HA 0.352 4.692 4.340 -0.000 0.000 0.274 376 L C -0.571 176.237 176.870 -0.104 0.000 1.007 376 L CA -1.187 53.600 54.840 -0.089 0.000 0.818 376 L CB 1.774 43.758 42.059 -0.126 0.000 1.284 376 L HN 0.115 nan 8.230 nan 0.000 0.424 377 D N 0.536 120.881 120.400 -0.091 0.000 2.382 377 D HA -0.072 4.568 4.640 -0.000 0.000 0.240 377 D C 0.798 177.018 176.300 -0.133 0.000 1.146 377 D CA -0.191 53.755 54.000 -0.091 0.000 0.897 377 D CB 0.863 41.624 40.800 -0.065 0.000 1.197 377 D HN 0.620 nan 8.370 nan 0.000 0.432 378 E N 0.314 120.442 120.200 -0.119 0.000 2.114 378 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 378 E C 1.402 177.907 176.600 -0.160 0.000 1.008 378 E CA 1.293 57.605 56.400 -0.146 0.000 0.810 378 E CB 0.128 29.780 29.700 -0.080 0.000 0.739 378 E HN 0.595 nan 8.360 nan 0.000 0.456 379 E N -0.526 119.607 120.200 -0.110 0.000 2.023 379 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 379 E C 2.128 178.648 176.600 -0.134 0.000 1.003 379 E CA 1.935 58.277 56.400 -0.096 0.000 0.809 379 E CB -0.145 29.515 29.700 -0.067 0.000 0.755 379 E HN 0.311 nan 8.360 nan 0.000 0.449 380 T N 1.949 116.417 114.554 -0.143 0.000 2.746 380 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 380 T C 2.067 176.607 174.700 -0.267 0.000 1.039 380 T CA 0.763 62.767 62.100 -0.160 0.000 1.142 380 T CB -0.230 68.562 68.868 -0.126 0.000 0.866 380 T HN 0.103 nan 8.240 nan 0.000 0.444 381 L N 1.085 122.082 121.223 -0.377 0.000 2.042 381 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 381 L C 2.712 179.094 176.870 -0.813 0.000 1.076 381 L CA 1.648 56.072 54.840 -0.694 0.000 0.749 381 L CB -0.482 41.054 42.059 -0.871 0.000 0.893 381 L HN 0.446 nan 8.230 nan 0.000 0.432 382 K N -0.128 119.997 120.400 -0.458 0.000 2.217 382 K HA -0.145 4.175 4.320 -0.000 0.000 0.202 382 K C 1.939 178.548 176.600 0.016 0.000 1.051 382 K CA 0.973 57.207 56.287 -0.088 0.000 0.952 382 K CB -0.150 32.420 32.500 0.116 0.000 0.736 382 K HN 0.170 nan 8.250 nan 0.000 0.453 383 K N 1.015 121.364 120.400 -0.084 0.000 2.103 383 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 383 K C 2.012 178.577 176.600 -0.060 0.000 1.052 383 K CA 1.017 57.269 56.287 -0.057 0.000 0.945 383 K CB -0.020 32.424 32.500 -0.093 0.000 0.722 383 K HN -0.051 nan 8.250 nan 0.000 0.443 384 V N 0.243 120.061 119.914 -0.160 0.000 2.407 384 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 384 V C 1.892 177.991 176.094 0.008 0.000 1.055 384 V CA 1.339 63.508 62.300 -0.218 0.000 1.049 384 V CB -0.502 31.076 31.823 -0.408 0.000 0.662 384 V HN 0.428 nan 8.190 nan 0.000 0.455 385 W N 0.193 121.463 121.300 -0.049 0.000 2.318 385 W HA -0.147 4.512 4.660 -0.000 0.000 0.313 385 W C 2.119 178.651 176.519 0.021 0.000 1.221 385 W CA 1.212 58.555 57.345 -0.004 0.000 1.266 385 W CB -1.302 28.154 29.460 -0.008 0.000 1.150 385 W HN 0.281 nan 8.180 nan 0.000 0.496 386 L N -0.446 120.922 121.223 0.242 0.000 2.046 386 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 386 L C 2.470 179.427 176.870 0.145 0.000 1.077 386 L CA 1.369 56.298 54.840 0.148 0.000 0.747 386 L CB -2.000 40.117 42.059 0.096 0.000 0.896 386 L HN -0.079 nan 8.230 nan 0.000 0.432 387 L N -0.677 120.641 121.223 0.158 0.000 2.043 387 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 387 L C 2.924 179.953 176.870 0.265 0.000 1.075 387 L CA 1.438 56.412 54.840 0.224 0.000 0.752 387 L CB -0.412 41.828 42.059 0.303 0.000 0.891 387 L HN 0.303 nan 8.230 nan 0.000 0.432 388 R N -0.884 119.785 120.500 0.283 0.000 2.066 388 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 388 R C 2.474 178.871 176.300 0.162 0.000 1.131 388 R CA 0.907 57.166 56.100 0.265 0.000 0.955 388 R CB -0.205 30.264 30.300 0.283 0.000 0.851 388 R HN 0.257 nan 8.270 nan 0.000 0.432 389 R N 0.460 121.038 120.500 0.130 0.000 2.096 389 R HA -0.152 4.188 4.340 -0.000 0.000 0.240 389 R C 2.183 178.526 176.300 0.071 0.000 1.139 389 R CA 1.707 57.854 56.100 0.078 0.000 0.952 389 R CB -0.444 29.891 30.300 0.059 0.000 0.854 389 R HN 0.324 nan 8.270 nan 0.000 0.436 390 M N -0.072 119.578 119.600 0.084 0.000 2.296 390 M HA -0.152 4.328 4.480 -0.000 0.000 0.265 390 M C 1.997 178.337 176.300 0.066 0.000 1.064 390 M CA 0.906 56.247 55.300 0.069 0.000 1.109 390 M CB -0.128 32.516 32.600 0.073 0.000 1.396 390 M HN 0.021 nan 8.290 nan 0.000 0.430 391 L N -0.223 121.052 121.223 0.086 0.000 2.072 391 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 391 L C 2.371 179.266 176.870 0.042 0.000 1.079 391 L CA 1.695 56.573 54.840 0.063 0.000 0.752 391 L CB -0.608 41.500 42.059 0.081 0.000 0.906 391 L HN 0.185 nan 8.230 nan 0.000 0.436 392 S N -0.478 115.252 115.700 0.051 0.000 2.537 392 S HA -0.043 4.427 4.470 -0.000 0.000 0.240 392 S C 1.623 176.238 174.600 0.024 0.000 0.981 392 S CA 0.739 58.960 58.200 0.035 0.000 0.948 392 S CB -0.415 62.806 63.200 0.036 0.000 0.759 392 S HN 0.438 nan 8.310 nan 0.000 0.531 393 A N 0.749 123.585 122.820 0.025 0.000 2.423 393 A HA 0.604 4.924 4.320 -0.000 0.000 0.246 393 A C 0.464 178.055 177.584 0.013 0.000 1.278 393 A CA -0.420 51.628 52.037 0.018 0.000 0.903 393 A CB -0.377 18.636 19.000 0.021 0.000 0.997 393 A HN 0.584 nan 8.150 nan 0.000 0.510 394 M N -2.746 116.861 119.600 0.010 0.000 2.880 394 M HA 0.401 4.881 4.480 -0.000 0.000 0.269 394 M C -0.113 176.184 176.300 -0.004 0.000 1.248 394 M CA -0.609 54.692 55.300 0.003 0.000 0.821 394 M CB 0.731 33.333 32.600 0.003 0.000 1.650 394 M HN 0.053 nan 8.290 nan 0.000 0.479 395 T N -1.032 113.515 114.554 -0.011 0.000 2.946 395 T HA 0.145 4.495 4.350 -0.000 0.000 0.312 395 T C 0.580 175.264 174.700 -0.026 0.000 1.066 395 T CA 0.632 62.720 62.100 -0.020 0.000 1.138 395 T CB 0.471 69.325 68.868 -0.024 0.000 1.014 395 T HN 0.858 nan 8.240 nan 0.000 0.544 396 E N 0.972 121.151 120.200 -0.036 0.000 3.317 396 E HA -0.401 3.949 4.350 -0.000 0.000 0.436 396 E C 1.273 177.837 176.600 -0.060 0.000 1.571 396 E CA 2.168 58.538 56.400 -0.049 0.000 1.219 396 E CB -1.391 28.285 29.700 -0.041 0.000 1.424 396 E HN 1.056 nan 8.360 nan 0.000 0.457 397 E N 1.087 121.253 120.200 -0.057 0.000 2.086 397 E HA -0.274 4.076 4.350 -0.000 0.000 0.200 397 E C 1.963 178.529 176.600 -0.056 0.000 1.012 397 E CA 2.267 58.629 56.400 -0.063 0.000 0.812 397 E CB -0.187 29.480 29.700 -0.056 0.000 0.743 397 E HN 0.272 nan 8.360 nan 0.000 0.453 398 E N -0.333 119.842 120.200 -0.041 0.000 2.072 398 E HA -0.040 4.309 4.350 -0.000 0.000 0.190 398 E C 1.879 178.461 176.600 -0.031 0.000 0.982 398 E CA 1.498 57.879 56.400 -0.031 0.000 0.803 398 E CB -0.682 29.006 29.700 -0.019 0.000 0.755 398 E HN 0.348 nan 8.360 nan 0.000 0.453 399 G N 1.089 109.869 108.800 -0.033 0.000 2.453 399 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 399 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 399 G C 1.485 176.350 174.900 -0.059 0.000 1.201 399 G CA 0.987 46.068 45.100 -0.032 0.000 0.784 399 G HN 0.359 nan 8.290 nan 0.000 0.545 400 L N 1.215 122.385 121.223 -0.088 0.000 2.079 400 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 400 L C 2.901 179.707 176.870 -0.107 0.000 1.081 400 L CA 2.693 57.462 54.840 -0.117 0.000 0.752 400 L CB -1.046 40.940 42.059 -0.122 0.000 0.896 400 L HN 0.248 nan 8.230 nan 0.000 0.433 401 T N -0.352 114.152 114.554 -0.083 0.000 2.701 401 T HA -0.174 4.176 4.350 -0.000 0.000 0.263 401 T C 2.014 176.675 174.700 -0.065 0.000 1.040 401 T CA 1.580 63.634 62.100 -0.077 0.000 1.147 401 T CB -0.431 68.403 68.868 -0.056 0.000 0.865 401 T HN 0.286 nan 8.240 nan 0.000 0.426 402 L N 0.591 121.793 121.223 -0.036 0.000 1.990 402 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 402 L C 2.525 179.392 176.870 -0.005 0.000 1.072 402 L CA 1.309 56.145 54.840 -0.007 0.000 0.755 402 L CB -0.512 41.558 42.059 0.019 0.000 0.889 402 L HN 0.266 nan 8.230 nan 0.000 0.432 403 I N -0.368 120.191 120.570 -0.018 0.000 2.179 403 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 403 I C 2.567 178.598 176.117 -0.143 0.000 1.088 403 I CA 1.469 62.760 61.300 -0.015 0.000 1.357 403 I CB -1.037 36.946 38.000 -0.028 0.000 1.051 403 I HN 0.298 nan 8.210 nan 0.000 0.409 404 L N 0.335 121.429 121.223 -0.216 0.000 2.042 404 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 404 L C 2.281 178.939 176.870 -0.353 0.000 1.076 404 L CA 1.801 56.394 54.840 -0.411 0.000 0.749 404 L CB -0.885 40.953 42.059 -0.368 0.000 0.893 404 L HN 0.327 nan 8.230 nan 0.000 0.432 405 N N 0.095 118.692 118.700 -0.170 0.000 2.069 405 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 405 N C 1.802 177.295 175.510 -0.028 0.000 1.031 405 N CA 1.389 54.389 53.050 -0.083 0.000 0.852 405 N CB 0.061 38.529 38.487 -0.032 0.000 1.018 405 N HN 0.190 nan 8.380 nan 0.000 0.423 406 K N 0.038 120.452 120.400 0.023 0.000 2.147 406 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 406 K C 1.861 178.533 176.600 0.121 0.000 1.049 406 K CA 0.751 57.125 56.287 0.144 0.000 0.936 406 K CB -0.066 32.636 32.500 0.335 0.000 0.722 406 K HN 0.223 nan 8.250 nan 0.000 0.446 407 L N 0.730 121.904 121.223 -0.081 0.000 1.988 407 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 407 L C 2.538 179.454 176.870 0.076 0.000 1.071 407 L CA 1.548 56.321 54.840 -0.112 0.000 0.744 407 L CB -0.762 41.134 42.059 -0.272 0.000 0.893 407 L HN 0.252 nan 8.230 nan 0.000 0.433 408 S N -0.705 115.010 115.700 0.026 0.000 2.465 408 S HA -0.210 4.260 4.470 -0.000 0.000 0.241 408 S C 1.467 176.145 174.600 0.130 0.000 1.000 408 S CA 1.181 59.495 58.200 0.190 0.000 0.964 408 S CB -0.481 62.808 63.200 0.149 0.000 0.763 408 S HN 0.489 nan 8.310 nan 0.000 0.512 409 E N 1.424 121.684 120.200 0.099 0.000 2.489 409 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 409 E C -0.119 176.545 176.600 0.108 0.000 1.057 409 E CA 0.470 56.927 56.400 0.095 0.000 0.866 409 E CB 0.269 30.022 29.700 0.088 0.000 0.916 409 E HN 0.775 nan 8.360 nan 0.000 0.500 410 T N -2.249 112.381 114.554 0.127 0.000 2.912 410 T HA 0.183 4.533 4.350 -0.000 0.000 0.299 410 T C 0.857 175.622 174.700 0.109 0.000 1.052 410 T CA -0.825 61.353 62.100 0.130 0.000 0.996 410 T CB 1.775 70.757 68.868 0.191 0.000 1.070 410 T HN -0.088 nan 8.240 nan 0.000 0.465 411 S N 0.898 116.651 115.700 0.088 0.000 2.515 411 S HA 0.256 4.726 4.470 -0.000 0.000 0.231 411 S C 0.900 175.540 174.600 0.067 0.000 0.987 411 S CA 0.223 58.463 58.200 0.067 0.000 0.936 411 S CB -0.572 62.659 63.200 0.051 0.000 0.766 411 S HN 1.447 nan 8.310 nan 0.000 0.528 412 S N -0.515 115.239 115.700 0.089 0.000 2.615 412 S HA 0.441 4.911 4.470 -0.000 0.000 0.268 412 S C -0.205 174.471 174.600 0.127 0.000 1.146 412 S CA -0.795 57.456 58.200 0.085 0.000 0.818 412 S CB 0.470 63.711 63.200 0.067 0.000 1.111 412 S HN -0.059 nan 8.310 nan 0.000 0.465 413 N N 1.393 120.163 118.700 0.116 0.000 2.188 413 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 413 N C 1.695 177.331 175.510 0.211 0.000 1.018 413 N CA 1.784 54.939 53.050 0.175 0.000 0.858 413 N CB -0.494 38.066 38.487 0.121 0.000 0.989 413 N HN 0.893 nan 8.380 nan 0.000 0.426 414 E N 0.535 120.810 120.200 0.124 0.000 2.152 414 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 414 E C 1.533 178.183 176.600 0.084 0.000 0.983 414 E CA 0.902 57.354 56.400 0.086 0.000 0.818 414 E CB -0.134 29.598 29.700 0.053 0.000 0.758 414 E HN 0.138 nan 8.360 nan 0.000 0.467 415 E N 0.629 120.891 120.200 0.102 0.000 2.012 415 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 415 E C 1.817 178.492 176.600 0.125 0.000 1.007 415 E CA 1.502 57.961 56.400 0.099 0.000 0.816 415 E CB -0.586 29.180 29.700 0.109 0.000 0.762 415 E HN 0.454 nan 8.360 nan 0.000 0.451 416 F N 1.498 121.466 119.950 0.031 0.000 2.085 416 F HA -0.280 4.247 4.527 0.000 0.000 0.299 416 F C 2.251 178.063 175.800 0.021 0.000 1.096 416 F CA 1.602 59.622 58.000 0.033 0.000 1.227 416 F CB -0.259 38.770 39.000 0.048 0.000 0.983 416 F HN -0.026 nan 8.300 nan 0.000 0.482 417 L N 0.069 121.246 121.223 -0.077 0.000 2.141 417 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 417 L C 2.363 179.140 176.870 -0.154 0.000 1.094 417 L CA 1.283 56.003 54.840 -0.200 0.000 0.763 417 L CB -0.720 41.309 42.059 -0.050 0.000 0.908 417 L HN 0.104 nan 8.230 nan 0.000 0.437 418 K N -0.018 120.337 120.400 -0.076 0.000 2.113 418 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 418 K C 1.989 178.540 176.600 -0.081 0.000 1.047 418 K CA 1.205 57.459 56.287 -0.056 0.000 0.928 418 K CB -0.227 32.261 32.500 -0.019 0.000 0.716 418 K HN 0.096 nan 8.250 nan 0.000 0.446 419 L N 0.954 122.106 121.223 -0.120 0.000 2.093 419 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 419 L C 1.091 177.874 176.870 -0.145 0.000 1.085 419 L CA 1.111 55.878 54.840 -0.122 0.000 0.755 419 L CB -0.407 41.571 42.059 -0.134 0.000 0.904 419 L HN 0.087 nan 8.230 nan 0.000 0.435 420 I N 0.000 120.440 120.570 -0.217 0.000 2.984 420 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 420 I CA 0.000 61.194 61.300 -0.176 0.000 1.566 420 I CB 0.000 37.878 38.000 -0.203 0.000 1.214 420 I HN 0.000 nan 8.210 nan 0.000 0.494