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 2fdm_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPKLK TLLSVGGWNF GPERFSAIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT TLVKEMKAEF IREAQAGTEQ DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFAGNEDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GRSFTLASSK DATA SEQUENCE TDVGAPVSGP GVPGRFTKEK GILAYYEIcD FLHGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA EV 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.900 175.900 -0.000 0.000 1.272 1 Y CA 0.000 58.100 58.100 0.001 0.000 1.940 1 Y CB 0.000 38.463 38.460 0.006 0.000 1.050 2 K N 3.029 123.516 120.400 0.144 0.000 2.138 2 K HA 0.673 4.996 4.320 0.005 0.000 0.263 2 K C -1.199 175.426 176.600 0.042 0.000 0.965 2 K CA -0.874 55.443 56.287 0.050 0.000 0.868 2 K CB 1.934 34.348 32.500 -0.144 0.000 1.083 2 K HN 0.543 nan 8.250 nan 0.000 0.443 3 L N 5.167 126.424 121.223 0.058 0.000 2.401 3 L HA 0.345 4.688 4.340 0.005 0.000 0.263 3 L C -1.168 175.726 176.870 0.041 0.000 1.004 3 L CA -0.804 54.062 54.840 0.043 0.000 0.881 3 L CB 0.749 42.834 42.059 0.044 0.000 1.219 3 L HN 0.560 nan 8.230 nan 0.000 0.441 4 I N 3.044 123.616 120.570 0.002 0.000 2.337 4 I HA 0.207 4.380 4.170 0.005 0.000 0.291 4 I C -0.005 176.163 176.117 0.085 0.000 1.046 4 I CA -0.171 61.135 61.300 0.010 0.000 1.324 4 I CB 0.737 38.715 38.000 -0.036 0.000 1.409 4 I HN 0.494 nan 8.210 nan 0.000 0.494 5 c N 6.913 125.536 118.600 0.037 0.000 2.408 5 c HA 0.504 5.077 4.570 0.005 0.000 0.321 5 c C -0.068 174.020 174.090 -0.003 0.000 1.245 5 c CA -0.857 55.505 56.329 0.056 0.000 1.523 5 c CB 0.608 43.111 42.510 -0.012 0.000 2.178 5 c HN 0.552 nan 8.230 nan 0.000 0.488 6 Y N 1.358 121.644 120.300 -0.023 0.000 2.323 6 Y HA 0.468 5.021 4.550 0.004 0.000 0.331 6 Y C -0.082 175.610 175.900 -0.347 0.000 1.092 6 Y CA -0.004 57.994 58.100 -0.171 0.000 1.150 6 Y CB 0.740 39.042 38.460 -0.265 0.000 1.200 6 Y HN 0.713 nan 8.280 nan 0.000 0.472 7 Y N 2.982 123.082 120.300 -0.334 0.000 2.350 7 Y HA 0.464 5.017 4.550 0.005 0.000 0.338 7 Y C -0.399 175.043 175.900 -0.763 0.000 0.961 7 Y CA -1.151 56.658 58.100 -0.485 0.000 1.100 7 Y CB 1.249 39.523 38.460 -0.309 0.000 1.179 7 Y HN 0.651 nan 8.280 nan 0.000 0.454 8 T N 1.408 114.874 114.554 -1.815 0.000 2.875 8 T HA 0.287 4.640 4.350 0.005 0.000 0.284 8 T C 0.848 174.352 174.700 -1.993 0.000 0.995 8 T CA -0.404 60.482 62.100 -2.022 0.000 1.060 8 T CB 1.694 68.984 68.868 -2.630 0.000 0.967 8 T HN 0.685 nan 8.240 nan 0.000 0.476 9 S N 1.048 115.922 115.700 -1.376 0.000 2.356 9 S HA -0.071 4.402 4.470 0.005 0.000 0.223 9 S C 1.434 175.712 174.600 -0.537 0.000 1.032 9 S CA 1.698 59.461 58.200 -0.728 0.000 1.005 9 S CB -0.527 62.530 63.200 -0.239 0.000 0.867 9 S HN 0.995 nan 8.310 nan 0.000 0.449 10 W N 2.246 123.334 121.300 -0.354 0.000 2.825 10 W HA 0.111 4.774 4.660 0.005 0.000 0.243 10 W C 1.761 178.138 176.519 -0.236 0.000 1.293 10 W CA 0.606 57.862 57.345 -0.148 0.000 1.403 10 W CB -0.943 28.541 29.460 0.041 0.000 1.134 10 W HN 0.268 nan 8.180 nan 0.000 0.666 11 S N 0.896 116.130 115.700 -0.777 0.000 2.522 11 S HA -0.237 4.236 4.470 0.005 0.000 0.227 11 S C 1.774 176.109 174.600 -0.441 0.000 0.986 11 S CA 0.939 58.806 58.200 -0.555 0.000 0.929 11 S CB -0.798 61.943 63.200 -0.766 0.000 0.769 11 S HN 0.719 nan 8.310 nan 0.000 0.529 12 Q N -0.136 119.257 119.800 -0.678 0.000 2.297 12 Q HA -0.078 4.265 4.340 0.005 0.000 0.204 12 Q C 1.091 176.865 176.000 -0.375 0.000 0.962 12 Q CA 1.075 56.373 55.803 -0.842 0.000 0.879 12 Q CB -0.742 27.207 28.738 -1.315 0.000 0.947 12 Q HN 0.669 nan 8.270 nan 0.000 0.462 13 Y N 1.141 121.446 120.300 0.008 0.000 2.519 13 Y HA 0.214 4.767 4.550 0.005 0.000 0.287 13 Y C 0.503 176.501 175.900 0.163 0.000 1.128 13 Y CA -0.380 57.801 58.100 0.135 0.000 1.282 13 Y CB 0.011 38.575 38.460 0.173 0.000 1.027 13 Y HN -0.036 nan 8.280 nan 0.000 0.551 14 R N 2.723 123.387 120.500 0.273 0.000 2.522 14 R HA 0.022 4.365 4.340 0.005 0.000 0.284 14 R C 0.487 176.980 176.300 0.321 0.000 1.032 14 R CA -0.030 56.249 56.100 0.299 0.000 1.049 14 R CB 0.165 30.641 30.300 0.294 0.000 0.956 14 R HN 0.410 nan 8.270 nan 0.000 0.422 15 E N 2.150 122.548 120.200 0.331 0.000 2.366 15 E HA 0.337 4.690 4.350 0.005 0.000 0.266 15 E C 0.613 177.465 176.600 0.419 0.000 1.051 15 E CA -0.271 56.316 56.400 0.311 0.000 0.884 15 E CB 0.745 30.574 29.700 0.215 0.000 1.006 15 E HN 0.700 nan 8.360 nan 0.000 0.417 16 G N 3.045 112.042 108.800 0.329 0.000 2.528 16 G HA2 -0.347 3.616 3.960 0.005 0.000 0.262 16 G HA3 -0.347 3.616 3.960 0.005 0.000 0.262 16 G C 0.314 175.386 174.900 0.286 0.000 1.200 16 G CA 0.219 45.525 45.100 0.343 0.000 0.951 16 G HN 0.717 nan 8.290 nan 0.000 0.566 17 D N 1.208 121.745 120.400 0.229 0.000 2.263 17 D HA -0.026 4.617 4.640 0.005 0.000 0.208 17 D C 2.465 178.706 176.300 -0.099 0.000 0.971 17 D CA 1.669 55.675 54.000 0.011 0.000 0.867 17 D CB -0.805 39.956 40.800 -0.065 0.000 0.929 17 D HN 0.701 nan 8.370 nan 0.000 0.492 18 G N 0.498 109.224 108.800 -0.124 0.000 2.470 18 G HA2 -0.185 3.778 3.960 0.005 0.000 0.220 18 G HA3 -0.185 3.778 3.960 0.005 0.000 0.220 18 G C 0.892 175.952 174.900 0.267 0.000 1.121 18 G CA 0.259 45.350 45.100 -0.015 0.000 0.766 18 G HN 0.246 nan 8.290 nan 0.000 0.553 19 S N -0.617 115.247 115.700 0.275 0.000 2.544 19 S HA 0.241 4.714 4.470 0.005 0.000 0.290 19 S C -0.283 174.464 174.600 0.246 0.000 1.276 19 S CA -0.305 58.040 58.200 0.240 0.000 1.075 19 S CB 0.037 63.417 63.200 0.300 0.000 0.849 19 S HN 0.382 nan 8.310 nan 0.000 0.494 20 C N 7.472 126.744 119.300 -0.048 0.000 2.505 20 C HA 0.716 5.179 4.460 0.005 0.000 0.342 20 C C -1.186 173.681 174.990 -0.205 0.000 1.121 20 C CA -0.861 58.016 59.018 -0.235 0.000 1.306 20 C CB -0.664 26.464 27.740 -1.020 0.000 1.897 20 C HN 0.855 nan 8.230 nan 0.000 0.446 21 F N 5.390 125.304 119.950 -0.060 0.000 2.483 21 F HA 0.506 5.036 4.527 0.005 0.000 0.329 21 F C -1.271 174.390 175.800 -0.231 0.000 1.064 21 F CA -1.986 55.976 58.000 -0.064 0.000 0.986 21 F CB 0.939 39.910 39.000 -0.049 0.000 1.218 21 F HN 0.348 nan 8.300 nan 0.000 0.484 22 P HA -0.233 nan 4.420 nan 0.000 0.218 22 P C 0.778 177.959 177.300 -0.198 0.000 1.152 22 P CA 1.853 64.681 63.100 -0.455 0.000 0.857 22 P CB -0.035 31.483 31.700 -0.303 0.000 0.787 23 D N -1.038 119.329 120.400 -0.054 0.000 2.392 23 D HA -0.050 4.593 4.640 0.005 0.000 0.228 23 D C 1.314 177.636 176.300 0.036 0.000 1.003 23 D CA 0.769 54.757 54.000 -0.020 0.000 0.917 23 D CB -0.929 39.865 40.800 -0.010 0.000 0.890 23 D HN 0.159 nan 8.370 nan 0.000 0.532 24 A N 0.074 122.937 122.820 0.071 0.000 2.275 24 A HA 0.257 4.580 4.320 0.005 0.000 0.212 24 A C 1.009 178.770 177.584 0.294 0.000 1.201 24 A CA -0.383 51.768 52.037 0.189 0.000 0.843 24 A CB -0.232 18.919 19.000 0.252 0.000 0.873 24 A HN 0.245 nan 8.150 nan 0.000 0.492 25 I N 1.094 121.742 120.570 0.130 0.000 2.441 25 I HA 0.081 4.254 4.170 0.005 0.000 0.287 25 I C -0.265 175.855 176.117 0.005 0.000 1.049 25 I CA -0.515 60.815 61.300 0.049 0.000 1.381 25 I CB 0.974 38.887 38.000 -0.145 0.000 1.409 25 I HN 0.083 nan 8.210 nan 0.000 0.523 26 D N 9.026 129.395 120.400 -0.052 0.000 2.339 26 D HA 0.130 4.773 4.640 0.005 0.000 0.256 26 D C -1.702 174.532 176.300 -0.110 0.000 1.214 26 D CA -2.100 51.899 54.000 -0.001 0.000 0.877 26 D CB 1.384 42.208 40.800 0.039 0.000 1.111 26 D HN 0.187 nan 8.370 nan 0.000 0.478 27 P HA -0.065 nan 4.420 nan 0.000 0.221 27 P C 0.467 177.438 177.300 -0.548 0.000 1.145 27 P CA 0.938 63.806 63.100 -0.387 0.000 0.795 27 P CB 0.037 31.423 31.700 -0.525 0.000 0.775 28 F N -2.727 117.183 119.950 -0.066 0.000 2.695 28 F HA 0.184 4.713 4.527 0.004 0.000 0.303 28 F C 1.836 177.597 175.800 -0.064 0.000 1.091 28 F CA -0.229 57.737 58.000 -0.057 0.000 1.300 28 F CB -0.591 38.389 39.000 -0.033 0.000 1.071 28 F HN -0.189 nan 8.300 nan 0.000 0.578 29 L N -0.149 121.087 121.223 0.022 0.000 1.988 29 L HA -0.056 4.287 4.340 0.005 0.000 0.207 29 L C 0.900 177.739 176.870 -0.052 0.000 1.071 29 L CA 1.440 56.254 54.840 -0.044 0.000 0.744 29 L CB -0.276 41.656 42.059 -0.212 0.000 0.893 29 L HN 0.066 nan 8.230 nan 0.000 0.433 30 c N -1.419 117.122 118.600 -0.099 0.000 2.349 30 c HA 0.468 5.041 4.570 0.005 0.000 0.361 30 c C 1.999 176.051 174.090 -0.064 0.000 1.189 30 c CA 0.014 56.304 56.329 -0.064 0.000 2.155 30 c CB 1.199 43.662 42.510 -0.078 0.000 2.336 30 c HN 0.630 nan 8.230 nan 0.000 0.540 31 T N -2.073 112.470 114.554 -0.019 0.000 3.031 31 T HA 0.080 4.433 4.350 0.005 0.000 0.254 31 T C 0.115 174.639 174.700 -0.294 0.000 1.060 31 T CA 0.949 62.995 62.100 -0.090 0.000 1.135 31 T CB -0.206 68.684 68.868 0.038 0.000 0.896 31 T HN 0.795 nan 8.240 nan 0.000 0.472 32 H N -0.130 118.894 119.070 -0.077 0.000 2.782 32 H HA 0.690 5.248 4.556 0.005 0.000 0.347 32 H C -1.390 173.902 175.328 -0.059 0.000 1.038 32 H CA -0.737 55.279 56.048 -0.053 0.000 1.255 32 H CB 2.046 31.779 29.762 -0.049 0.000 1.623 32 H HN 0.041 nan 8.280 nan 0.000 0.525 33 V N 4.841 124.782 119.914 0.046 0.000 2.459 33 V HA 0.388 4.511 4.120 0.005 0.000 0.295 33 V C -0.023 176.098 176.094 0.045 0.000 1.029 33 V CA -0.593 61.710 62.300 0.004 0.000 0.874 33 V CB 1.538 33.339 31.823 -0.037 0.000 0.985 33 V HN 0.656 nan 8.190 nan 0.000 0.438 34 I N 4.571 125.107 120.570 -0.057 0.000 2.382 34 I HA 0.335 4.508 4.170 0.005 0.000 0.286 34 I C -0.949 175.190 176.117 0.037 0.000 1.002 34 I CA -0.705 60.553 61.300 -0.071 0.000 1.135 34 I CB 1.442 39.158 38.000 -0.473 0.000 1.288 34 I HN 0.584 nan 8.210 nan 0.000 0.448 35 Y N 6.341 126.700 120.300 0.099 0.000 2.402 35 Y HA 0.243 4.796 4.550 0.005 0.000 0.333 35 Y C 0.185 176.085 175.900 0.001 0.000 1.076 35 Y CA -0.088 58.099 58.100 0.145 0.000 1.299 35 Y CB 0.789 39.469 38.460 0.366 0.000 1.197 35 Y HN 0.560 nan 8.280 nan 0.000 0.517 36 S N 6.171 121.563 115.700 -0.513 0.000 2.473 36 S HA 0.710 5.183 4.470 0.005 0.000 0.307 36 S C -1.334 172.917 174.600 -0.582 0.000 1.094 36 S CA -0.721 57.025 58.200 -0.756 0.000 1.070 36 S CB 1.255 63.433 63.200 -1.704 0.000 1.019 36 S HN 0.468 nan 8.310 nan 0.000 0.480 37 F N 0.642 120.593 119.950 0.003 0.000 2.588 37 F HA 0.729 5.258 4.527 0.005 0.000 0.310 37 F C 0.499 176.451 175.800 0.254 0.000 1.082 37 F CA -0.875 57.190 58.000 0.109 0.000 0.929 37 F CB 1.654 40.643 39.000 -0.019 0.000 1.254 37 F HN 0.798 nan 8.300 nan 0.000 0.455 38 A N 1.690 124.818 122.820 0.512 0.000 2.267 38 A HA 0.605 4.928 4.320 0.005 0.000 0.271 38 A C -0.526 177.391 177.584 0.555 0.000 1.131 38 A CA -0.151 52.183 52.037 0.495 0.000 0.818 38 A CB 0.477 19.661 19.000 0.306 0.000 1.118 38 A HN 0.768 nan 8.150 nan 0.000 0.501 39 N N -1.893 117.080 118.700 0.455 0.000 2.577 39 N HA 0.681 5.424 4.740 0.005 0.000 0.285 39 N C -1.465 174.145 175.510 0.166 0.000 1.309 39 N CA -0.535 52.768 53.050 0.421 0.000 0.798 39 N CB 1.187 39.846 38.487 0.286 0.000 1.463 39 N HN 0.476 nan 8.380 nan 0.000 0.518 40 I N 0.509 121.165 120.570 0.142 0.000 2.466 40 I HA 0.398 4.571 4.170 0.005 0.000 0.289 40 I C -0.781 175.297 176.117 -0.066 0.000 1.026 40 I CA -0.473 60.817 61.300 -0.016 0.000 1.078 40 I CB 1.919 39.809 38.000 -0.182 0.000 1.249 40 I HN 0.284 nan 8.210 nan 0.000 0.429 41 S N 3.949 119.612 115.700 -0.062 0.000 2.547 41 S HA 0.355 4.828 4.470 0.005 0.000 0.281 41 S C -0.087 174.483 174.600 -0.050 0.000 1.118 41 S CA -0.731 57.427 58.200 -0.071 0.000 0.947 41 S CB 1.570 64.738 63.200 -0.054 0.000 1.053 41 S HN 0.823 nan 8.310 nan 0.000 0.482 42 N N 2.845 121.508 118.700 -0.061 0.000 2.710 42 N HA -0.203 4.540 4.740 0.005 0.000 0.249 42 N C -0.513 174.981 175.510 -0.028 0.000 1.059 42 N CA 0.316 53.341 53.050 -0.042 0.000 0.720 42 N CB -0.967 37.508 38.487 -0.020 0.000 0.983 42 N HN 0.697 nan 8.380 nan 0.000 0.544 43 N N -1.291 117.376 118.700 -0.054 0.000 2.741 43 N HA -0.179 4.564 4.740 0.005 0.000 0.251 43 N C -0.815 174.748 175.510 0.089 0.000 1.112 43 N CA 1.541 54.570 53.050 -0.035 0.000 0.750 43 N CB -0.798 37.677 38.487 -0.020 0.000 1.119 43 N HN 0.700 nan 8.380 nan 0.000 0.561 44 E N -0.064 120.182 120.200 0.078 0.000 2.277 44 E HA 0.469 4.822 4.350 0.005 0.000 0.266 44 E C 0.095 176.756 176.600 0.101 0.000 0.901 44 E CA -0.895 55.582 56.400 0.127 0.000 0.782 44 E CB 2.304 32.033 29.700 0.048 0.000 1.228 44 E HN 0.167 nan 8.360 nan 0.000 0.424 45 I N 1.639 122.250 120.570 0.069 0.000 2.692 45 I HA 0.047 4.220 4.170 0.005 0.000 0.284 45 I C -0.479 175.377 176.117 -0.435 0.000 1.159 45 I CA 0.781 62.023 61.300 -0.096 0.000 1.423 45 I CB 0.448 38.312 38.000 -0.226 0.000 1.380 45 I HN 0.543 nan 8.210 nan 0.000 0.580 46 D N 3.498 123.702 120.400 -0.327 0.000 2.643 46 D HA 0.329 4.972 4.640 0.005 0.000 0.283 46 D C -0.805 175.550 176.300 0.092 0.000 1.242 46 D CA -0.173 53.702 54.000 -0.208 0.000 0.863 46 D CB 1.660 42.445 40.800 -0.025 0.000 1.382 46 D HN 0.614 nan 8.370 nan 0.000 0.444 47 T N -1.738 113.000 114.554 0.308 0.000 2.698 47 T HA 0.144 4.497 4.350 0.005 0.000 0.295 47 T C 0.338 175.268 174.700 0.384 0.000 1.007 47 T CA -0.231 62.116 62.100 0.412 0.000 0.980 47 T CB 0.988 70.037 68.868 0.301 0.000 1.036 47 T HN 0.551 nan 8.240 nan 0.000 0.526 48 W N -0.163 121.275 121.300 0.229 0.000 4.366 48 W HA 0.253 4.917 4.660 0.006 0.000 0.201 48 W C 0.041 176.698 176.519 0.229 0.000 0.994 48 W CA 0.062 57.548 57.345 0.234 0.000 2.324 48 W CB 0.048 29.686 29.460 0.297 0.000 1.011 48 W HN 0.578 nan 8.180 nan 0.000 0.846 49 E N 1.751 122.334 120.200 0.638 0.000 2.374 49 E HA -0.021 4.332 4.350 0.005 0.000 0.260 49 E C 1.409 178.195 176.600 0.310 0.000 1.101 49 E CA 0.071 56.774 56.400 0.505 0.000 0.907 49 E CB 0.020 29.939 29.700 0.365 0.000 1.014 49 E HN 0.346 nan 8.360 nan 0.000 0.427 50 W N 2.858 124.297 121.300 0.233 0.000 2.402 50 W HA -0.109 4.554 4.660 0.005 0.000 0.286 50 W C 0.587 177.180 176.519 0.124 0.000 1.221 50 W CA 0.922 58.360 57.345 0.156 0.000 1.257 50 W CB -0.664 28.883 29.460 0.144 0.000 1.120 50 W HN 0.362 nan 8.180 nan 0.000 0.551 51 N N 0.919 119.074 118.700 -0.909 0.000 2.279 51 N HA -0.051 4.692 4.740 0.005 0.000 0.226 51 N C 0.419 175.652 175.510 -0.463 0.000 1.126 51 N CA 0.144 52.695 53.050 -0.830 0.000 0.846 51 N CB -0.589 37.082 38.487 -1.361 0.000 1.050 51 N HN -0.087 nan 8.380 nan 0.000 0.502 52 D N 1.031 121.207 120.400 -0.373 0.000 2.104 52 D HA -0.147 4.496 4.640 0.005 0.000 0.194 52 D C 2.203 177.946 176.300 -0.929 0.000 0.994 52 D CA 1.563 55.186 54.000 -0.627 0.000 0.830 52 D CB -0.122 40.294 40.800 -0.639 0.000 0.959 52 D HN 0.283 nan 8.370 nan 0.000 0.452 53 V N -1.050 118.520 119.914 -0.572 0.000 2.453 53 V HA -0.231 3.892 4.120 0.005 0.000 0.252 53 V C 2.098 178.094 176.094 -0.163 0.000 1.068 53 V CA 2.067 64.186 62.300 -0.301 0.000 1.070 53 V CB -1.291 30.524 31.823 -0.014 0.000 0.664 53 V HN 0.039 nan 8.190 nan 0.000 0.461 54 T N 1.023 115.458 114.554 -0.198 0.000 2.809 54 T HA 0.136 4.489 4.350 0.005 0.000 0.260 54 T C 1.866 176.497 174.700 -0.114 0.000 1.039 54 T CA 1.800 63.825 62.100 -0.125 0.000 1.141 54 T CB -0.294 68.495 68.868 -0.132 0.000 0.869 54 T HN 0.443 nan 8.240 nan 0.000 0.437 55 L N -0.244 120.881 121.223 -0.163 0.000 2.093 55 L HA -0.054 4.289 4.340 0.005 0.000 0.208 55 L C 2.462 179.262 176.870 -0.117 0.000 1.085 55 L CA 1.160 55.954 54.840 -0.077 0.000 0.755 55 L CB -0.719 41.359 42.059 0.032 0.000 0.904 55 L HN 0.228 nan 8.230 nan 0.000 0.435 56 Y N 0.691 120.797 120.300 -0.323 0.000 2.114 56 Y HA -0.323 4.230 4.550 0.005 0.000 0.282 56 Y C 2.506 178.205 175.900 -0.336 0.000 1.165 56 Y CA 1.472 59.327 58.100 -0.409 0.000 1.148 56 Y CB -0.920 37.357 38.460 -0.304 0.000 0.972 56 Y HN 0.299 nan 8.280 nan 0.000 0.504 57 D N -0.945 119.439 120.400 -0.027 0.000 2.097 57 D HA -0.145 4.498 4.640 0.005 0.000 0.195 57 D C 1.949 178.188 176.300 -0.101 0.000 0.989 57 D CA 2.074 56.032 54.000 -0.069 0.000 0.827 57 D CB -0.105 40.676 40.800 -0.031 0.000 0.966 57 D HN 0.252 nan 8.370 nan 0.000 0.456 58 T N 0.226 114.729 114.554 -0.085 0.000 2.746 58 T HA -0.131 4.222 4.350 0.005 0.000 0.267 58 T C 1.804 176.431 174.700 -0.121 0.000 1.039 58 T CA 1.049 63.099 62.100 -0.084 0.000 1.142 58 T CB -0.374 68.466 68.868 -0.046 0.000 0.866 58 T HN 0.117 nan 8.240 nan 0.000 0.444 59 L N 1.721 122.857 121.223 -0.144 0.000 2.005 59 L HA 0.014 4.357 4.340 0.005 0.000 0.207 59 L C 1.779 178.524 176.870 -0.208 0.000 1.072 59 L CA 1.825 56.559 54.840 -0.177 0.000 0.744 59 L CB -0.817 41.162 42.059 -0.133 0.000 0.895 59 L HN 0.197 nan 8.230 nan 0.000 0.433 60 N N -1.482 117.060 118.700 -0.263 0.000 2.520 60 N HA -0.135 4.608 4.740 0.005 0.000 0.185 60 N C 1.261 176.648 175.510 -0.204 0.000 1.068 60 N CA 1.025 53.904 53.050 -0.285 0.000 0.911 60 N CB -0.050 38.204 38.487 -0.387 0.000 0.961 60 N HN 0.617 nan 8.380 nan 0.000 0.446 61 T N -1.526 112.928 114.554 -0.166 0.000 3.088 61 T HA 0.083 4.436 4.350 0.005 0.000 0.259 61 T C 1.688 176.306 174.700 -0.136 0.000 1.122 61 T CA 0.208 62.228 62.100 -0.132 0.000 1.095 61 T CB -0.183 68.623 68.868 -0.103 0.000 0.930 61 T HN 0.135 nan 8.240 nan 0.000 0.508 62 L N 0.256 121.383 121.223 -0.159 0.000 2.191 62 L HA -0.013 4.330 4.340 0.005 0.000 0.212 62 L C 2.579 179.327 176.870 -0.204 0.000 1.103 62 L CA 1.272 56.006 54.840 -0.177 0.000 0.769 62 L CB -0.494 41.447 42.059 -0.197 0.000 0.908 62 L HN 0.287 nan 8.230 nan 0.000 0.438 63 K N -0.132 120.154 120.400 -0.190 0.000 2.515 63 K HA -0.082 4.241 4.320 0.005 0.000 0.196 63 K C 1.492 178.004 176.600 -0.147 0.000 1.038 63 K CA 0.414 56.592 56.287 -0.182 0.000 0.967 63 K CB -0.077 32.323 32.500 -0.167 0.000 0.780 63 K HN 0.289 nan 8.250 nan 0.000 0.483 64 N N 0.614 119.237 118.700 -0.128 0.000 2.416 64 N HA -0.029 4.714 4.740 0.005 0.000 0.177 64 N C 1.261 176.727 175.510 -0.074 0.000 1.036 64 N CA 0.759 53.756 53.050 -0.090 0.000 0.901 64 N CB 0.258 38.701 38.487 -0.074 0.000 0.976 64 N HN 0.234 nan 8.380 nan 0.000 0.444 65 R N -0.213 120.223 120.500 -0.106 0.000 2.146 65 R HA 0.124 4.467 4.340 0.005 0.000 0.206 65 R C 0.088 176.317 176.300 -0.118 0.000 1.049 65 R CA 0.278 56.339 56.100 -0.066 0.000 1.029 65 R CB 0.014 30.274 30.300 -0.067 0.000 0.949 65 R HN 0.010 nan 8.270 nan 0.000 0.471 66 N N 1.233 119.741 118.700 -0.320 0.000 2.696 66 N HA 0.186 4.929 4.740 0.005 0.000 0.246 66 N C -2.354 173.027 175.510 -0.214 0.000 1.057 66 N CA -2.374 50.439 53.050 -0.394 0.000 0.867 66 N CB 1.669 39.615 38.487 -0.901 0.000 1.141 66 N HN -0.236 nan 8.380 nan 0.000 0.517 67 P HA -0.077 nan 4.420 nan 0.000 0.222 67 P C 0.580 177.826 177.300 -0.090 0.000 1.147 67 P CA 1.097 64.147 63.100 -0.084 0.000 0.790 67 P CB 0.366 32.041 31.700 -0.042 0.000 0.780 68 K N -1.224 119.122 120.400 -0.091 0.000 2.400 68 K HA 0.088 4.411 4.320 0.005 0.000 0.194 68 K C 0.886 177.393 176.600 -0.155 0.000 1.033 68 K CA -0.027 56.204 56.287 -0.093 0.000 1.021 68 K CB -0.237 32.231 32.500 -0.053 0.000 0.808 68 K HN 0.199 nan 8.250 nan 0.000 0.505 69 L N 2.748 123.856 121.223 -0.192 0.000 2.499 69 L HA 0.026 4.369 4.340 0.005 0.000 0.273 69 L C -0.297 176.443 176.870 -0.216 0.000 1.195 69 L CA 0.892 55.592 54.840 -0.233 0.000 0.882 69 L CB 0.325 42.228 42.059 -0.260 0.000 1.133 69 L HN -0.021 nan 8.230 nan 0.000 0.483 70 K N 3.442 123.682 120.400 -0.267 0.000 2.259 70 K HA 0.540 4.863 4.320 0.005 0.000 0.249 70 K C -0.326 176.235 176.600 -0.064 0.000 0.942 70 K CA -0.507 55.676 56.287 -0.173 0.000 0.816 70 K CB 2.177 34.547 32.500 -0.217 0.000 1.155 70 K HN 0.734 nan 8.250 nan 0.000 0.428 71 T N -0.492 114.075 114.554 0.021 0.000 2.893 71 T HA 0.759 5.112 4.350 0.005 0.000 0.291 71 T C -0.430 174.445 174.700 0.292 0.000 1.028 71 T CA -0.840 61.331 62.100 0.118 0.000 0.995 71 T CB 1.134 70.008 68.868 0.011 0.000 1.051 71 T HN 0.213 nan 8.240 nan 0.000 0.470 72 L N 1.467 122.895 121.223 0.341 0.000 2.327 72 L HA 0.777 5.120 4.340 0.005 0.000 0.258 72 L C -1.099 175.841 176.870 0.117 0.000 1.024 72 L CA -1.033 53.965 54.840 0.264 0.000 0.825 72 L CB 2.023 44.194 42.059 0.185 0.000 1.386 72 L HN 0.710 nan 8.230 nan 0.000 0.417 73 L N 0.247 121.345 121.223 -0.210 0.000 2.329 73 L HA 0.737 5.080 4.340 0.005 0.000 0.279 73 L C -0.298 176.576 176.870 0.007 0.000 1.014 73 L CA 0.154 54.780 54.840 -0.356 0.000 0.814 73 L CB 1.865 43.394 42.059 -0.882 0.000 1.257 73 L HN 0.565 nan 8.230 nan 0.000 0.424 74 S N 3.455 119.257 115.700 0.170 0.000 2.489 74 S HA 0.800 5.273 4.470 0.005 0.000 0.291 74 S C -0.790 174.057 174.600 0.411 0.000 1.151 74 S CA -0.581 57.824 58.200 0.342 0.000 1.082 74 S CB 0.919 64.436 63.200 0.529 0.000 1.019 74 S HN 0.602 nan 8.310 nan 0.000 0.492 75 V N 2.605 122.731 119.914 0.353 0.000 2.581 75 V HA 1.016 5.139 4.120 0.005 0.000 0.303 75 V C 0.978 177.131 176.094 0.099 0.000 1.041 75 V CA 0.198 62.630 62.300 0.221 0.000 0.907 75 V CB 0.234 32.197 31.823 0.232 0.000 0.994 75 V HN 1.367 nan 8.190 nan 0.000 0.442 76 G N 1.827 110.407 108.800 -0.367 0.000 2.594 76 G HA2 0.499 4.462 3.960 0.005 0.000 0.217 76 G HA3 0.499 4.462 3.960 0.005 0.000 0.217 76 G C 0.426 174.891 174.900 -0.725 0.000 1.163 76 G CA -0.003 44.759 45.100 -0.563 0.000 1.074 76 G HN 2.958 nan 8.290 nan 0.000 0.589 77 G N -2.253 106.106 108.800 -0.735 0.000 2.570 77 G HA2 0.166 4.129 3.960 0.005 0.000 0.686 77 G HA3 0.166 4.129 3.960 0.005 0.000 0.686 77 G C 0.593 175.266 174.900 -0.378 0.000 1.257 77 G CA 0.411 44.777 45.100 -1.223 0.000 0.846 77 G HN 1.942 nan 8.290 nan 0.000 0.627 78 W N 0.702 121.741 121.300 -0.435 0.000 2.342 78 W HA -0.145 4.519 4.660 0.006 0.000 0.297 78 W C 1.693 178.113 176.519 -0.165 0.000 1.213 78 W CA 1.775 58.956 57.345 -0.274 0.000 1.251 78 W CB 0.133 29.449 29.460 -0.240 0.000 1.136 78 W HN 0.569 nan 8.180 nan 0.000 0.526 79 N N -0.170 118.362 118.700 -0.279 0.000 2.424 79 N HA -0.035 4.708 4.740 0.005 0.000 0.178 79 N C -0.009 175.423 175.510 -0.131 0.000 1.060 79 N CA 0.313 53.191 53.050 -0.287 0.000 0.901 79 N CB -0.611 37.781 38.487 -0.159 0.000 0.979 79 N HN -0.023 nan 8.380 nan 0.000 0.451 80 F N 1.712 121.538 119.950 -0.207 0.000 2.504 80 F HA 0.349 4.879 4.527 0.005 0.000 0.369 80 F C 1.146 176.842 175.800 -0.173 0.000 1.082 80 F CA -1.030 56.926 58.000 -0.073 0.000 1.216 80 F CB 0.393 39.367 39.000 -0.044 0.000 1.108 80 F HN -0.046 nan 8.300 nan 0.000 0.554 81 G N 7.022 115.539 108.800 -0.472 0.000 2.343 81 G HA2 0.222 4.185 3.960 0.005 0.000 0.254 81 G HA3 0.222 4.185 3.960 0.005 0.000 0.254 81 G C -2.088 172.698 174.900 -0.189 0.000 1.277 81 G CA -1.004 43.886 45.100 -0.350 0.000 0.909 81 G HN 0.584 nan 8.290 nan 0.000 0.502 82 P HA -0.113 nan 4.420 nan 0.000 0.215 82 P C 1.463 178.824 177.300 0.103 0.000 1.153 82 P CA 1.141 64.337 63.100 0.161 0.000 0.853 82 P CB 0.303 32.114 31.700 0.185 0.000 0.788 83 E N -0.230 119.966 120.200 -0.006 0.000 2.130 83 E HA -0.198 4.155 4.350 0.005 0.000 0.196 83 E C 1.977 178.514 176.600 -0.106 0.000 0.998 83 E CA 1.191 57.572 56.400 -0.031 0.000 0.806 83 E CB -0.834 28.820 29.700 -0.076 0.000 0.738 83 E HN 0.279 nan 8.360 nan 0.000 0.459 84 R N -0.411 119.958 120.500 -0.218 0.000 2.083 84 R HA -0.107 4.236 4.340 0.005 0.000 0.237 84 R C 2.182 178.295 176.300 -0.312 0.000 1.137 84 R CA 1.399 57.295 56.100 -0.341 0.000 0.951 84 R CB -0.544 29.350 30.300 -0.677 0.000 0.851 84 R HN 0.162 nan 8.270 nan 0.000 0.434 85 F N 1.013 120.769 119.950 -0.323 0.000 2.134 85 F HA -0.213 4.317 4.527 0.006 0.000 0.299 85 F C 2.800 178.173 175.800 -0.712 0.000 1.097 85 F CA 1.485 59.068 58.000 -0.695 0.000 1.264 85 F CB -0.534 37.584 39.000 -1.469 0.000 1.001 85 F HN -0.056 nan 8.300 nan 0.000 0.479 86 S N -0.524 115.068 115.700 -0.180 0.000 2.359 86 S HA -0.233 4.240 4.470 0.005 0.000 0.224 86 S C 2.299 176.894 174.600 -0.008 0.000 1.035 86 S CA 1.290 59.533 58.200 0.072 0.000 1.018 86 S CB -0.641 62.682 63.200 0.205 0.000 0.876 86 S HN 0.382 nan 8.310 nan 0.000 0.448 87 A N 0.772 123.542 122.820 -0.083 0.000 1.969 87 A HA 0.019 4.342 4.320 0.005 0.000 0.218 87 A C 2.043 179.550 177.584 -0.130 0.000 1.169 87 A CA 1.245 53.223 52.037 -0.097 0.000 0.635 87 A CB -0.611 18.319 19.000 -0.117 0.000 0.810 87 A HN 0.601 nan 8.150 nan 0.000 0.445 88 I N -0.429 120.025 120.570 -0.192 0.000 2.252 88 I HA -0.227 3.946 4.170 0.005 0.000 0.245 88 I C 2.874 178.919 176.117 -0.120 0.000 1.102 88 I CA 1.095 62.274 61.300 -0.202 0.000 1.385 88 I CB -0.231 37.546 38.000 -0.372 0.000 1.064 88 I HN 0.333 nan 8.210 nan 0.000 0.414 89 A N -0.014 122.754 122.820 -0.087 0.000 2.014 89 A HA -0.105 4.218 4.320 0.005 0.000 0.218 89 A C 2.368 179.898 177.584 -0.090 0.000 1.163 89 A CA 1.506 53.557 52.037 0.023 0.000 0.652 89 A CB -0.502 18.622 19.000 0.206 0.000 0.808 89 A HN 0.392 nan 8.150 nan 0.000 0.449 90 S N 0.061 115.637 115.700 -0.206 0.000 2.474 90 S HA 0.000 4.473 4.470 0.005 0.000 0.235 90 S C 0.591 174.988 174.600 -0.339 0.000 0.997 90 S CA 0.709 58.589 58.200 -0.533 0.000 0.949 90 S CB -0.053 62.975 63.200 -0.288 0.000 0.766 90 S HN 0.571 nan 8.310 nan 0.000 0.517 91 K N 1.829 122.125 120.400 -0.173 0.000 2.339 91 K HA 0.247 4.570 4.320 0.005 0.000 0.264 91 K C 1.140 177.703 176.600 -0.062 0.000 0.986 91 K CA -0.094 56.132 56.287 -0.103 0.000 0.866 91 K CB 1.393 33.848 32.500 -0.075 0.000 1.103 91 K HN 0.168 nan 8.250 nan 0.000 0.441 92 T N -0.363 114.165 114.554 -0.043 0.000 2.699 92 T HA -0.289 4.064 4.350 0.005 0.000 0.268 92 T C 1.791 176.490 174.700 -0.003 0.000 1.036 92 T CA 1.377 63.470 62.100 -0.012 0.000 1.147 92 T CB -0.057 68.809 68.868 -0.003 0.000 0.862 92 T HN 0.423 nan 8.240 nan 0.000 0.446 93 Q N 1.652 121.447 119.800 -0.009 0.000 2.020 93 Q HA -0.057 4.286 4.340 0.005 0.000 0.202 93 Q C 2.714 178.716 176.000 0.003 0.000 0.982 93 Q CA 2.300 58.101 55.803 -0.003 0.000 0.838 93 Q CB -0.601 28.132 28.738 -0.008 0.000 0.899 93 Q HN 0.847 nan 8.270 nan 0.000 0.423 94 S N -0.423 115.271 115.700 -0.009 0.000 2.423 94 S HA -0.137 4.336 4.470 0.005 0.000 0.231 94 S C 1.869 176.488 174.600 0.031 0.000 1.014 94 S CA 1.005 59.201 58.200 -0.006 0.000 0.965 94 S CB -0.250 62.923 63.200 -0.045 0.000 0.785 94 S HN 0.335 nan 8.310 nan 0.000 0.495 95 R N 1.633 122.154 120.500 0.035 0.000 2.062 95 R HA 0.081 4.424 4.340 0.005 0.000 0.229 95 R C 2.698 179.064 176.300 0.112 0.000 1.128 95 R CA 0.930 57.086 56.100 0.093 0.000 0.960 95 R CB -0.260 30.080 30.300 0.066 0.000 0.855 95 R HN 0.384 nan 8.270 nan 0.000 0.432 96 R N -0.049 120.486 120.500 0.058 0.000 2.120 96 R HA -0.097 4.246 4.340 0.005 0.000 0.234 96 R C 1.464 177.790 176.300 0.044 0.000 1.123 96 R CA 1.946 58.068 56.100 0.038 0.000 0.975 96 R CB -0.268 30.044 30.300 0.021 0.000 0.866 96 R HN 0.254 nan 8.270 nan 0.000 0.446 97 T N 0.856 115.447 114.554 0.061 0.000 2.737 97 T HA -0.146 4.207 4.350 0.005 0.000 0.265 97 T C 1.315 176.078 174.700 0.105 0.000 1.038 97 T CA 1.455 63.594 62.100 0.065 0.000 1.144 97 T CB -0.399 68.501 68.868 0.054 0.000 0.866 97 T HN 0.288 nan 8.240 nan 0.000 0.434 98 F N 1.836 121.769 119.950 -0.029 0.000 2.134 98 F HA 0.005 4.535 4.527 0.005 0.000 0.299 98 F C 1.934 177.731 175.800 -0.006 0.000 1.097 98 F CA 0.710 58.689 58.000 -0.036 0.000 1.264 98 F CB -0.609 38.355 39.000 -0.062 0.000 1.001 98 F HN 0.096 nan 8.300 nan 0.000 0.479 99 I N 0.313 120.795 120.570 -0.146 0.000 2.179 99 I HA -0.300 3.873 4.170 0.005 0.000 0.242 99 I C 2.374 178.405 176.117 -0.144 0.000 1.088 99 I CA 1.348 62.502 61.300 -0.243 0.000 1.357 99 I CB -0.597 37.343 38.000 -0.099 0.000 1.051 99 I HN 0.022 nan 8.210 nan 0.000 0.409 100 K N 0.793 121.160 120.400 -0.055 0.000 2.360 100 K HA -0.110 4.213 4.320 0.005 0.000 0.201 100 K C 2.140 178.738 176.600 -0.003 0.000 1.046 100 K CA 1.537 57.818 56.287 -0.009 0.000 0.945 100 K CB -0.148 32.358 32.500 0.010 0.000 0.750 100 K HN 0.445 nan 8.250 nan 0.000 0.464 101 S N -0.793 114.883 115.700 -0.039 0.000 2.478 101 S HA -0.004 4.469 4.470 0.005 0.000 0.222 101 S C 2.046 176.648 174.600 0.005 0.000 1.008 101 S CA 0.181 58.378 58.200 -0.004 0.000 0.928 101 S CB -0.084 63.115 63.200 -0.001 0.000 0.781 101 S HN -0.073 nan 8.310 nan 0.000 0.518 102 V N 3.341 123.209 119.914 -0.077 0.000 2.223 102 V HA -0.044 4.079 4.120 0.005 0.000 0.244 102 V C -0.277 175.886 176.094 0.116 0.000 1.045 102 V CA 1.947 64.246 62.300 -0.003 0.000 1.000 102 V CB -1.748 30.043 31.823 -0.053 0.000 0.635 102 V HN 0.335 nan 8.190 nan 0.000 0.445 103 P HA -0.170 nan 4.420 nan 0.000 0.216 103 P C -1.350 175.974 177.300 0.039 0.000 1.167 103 P CA 2.400 65.515 63.100 0.025 0.000 0.914 103 P CB -1.349 30.376 31.700 0.042 0.000 0.793 104 P HA -0.207 nan 4.420 nan 0.000 0.216 104 P C 1.531 178.885 177.300 0.090 0.000 1.157 104 P CA 1.263 64.400 63.100 0.062 0.000 0.880 104 P CB -0.542 31.207 31.700 0.082 0.000 0.791 105 F N -0.429 119.537 119.950 0.027 0.000 2.095 105 F HA -0.197 4.333 4.527 0.005 0.000 0.298 105 F C 1.901 177.763 175.800 0.103 0.000 1.104 105 F CA 1.472 59.525 58.000 0.089 0.000 1.232 105 F CB -0.898 38.167 39.000 0.108 0.000 0.987 105 F HN -0.237 nan 8.300 nan 0.000 0.475 106 L N -0.006 121.323 121.223 0.176 0.000 2.017 106 L HA -0.169 4.174 4.340 0.005 0.000 0.208 106 L C 2.496 179.379 176.870 0.022 0.000 1.073 106 L CA 1.550 56.459 54.840 0.115 0.000 0.745 106 L CB -1.346 40.748 42.059 0.059 0.000 0.894 106 L HN -0.022 nan 8.230 nan 0.000 0.432 107 R N -0.712 119.767 120.500 -0.035 0.000 2.080 107 R HA -0.140 4.203 4.340 0.005 0.000 0.236 107 R C 2.308 178.528 176.300 -0.134 0.000 1.137 107 R CA 2.012 58.066 56.100 -0.077 0.000 0.943 107 R CB -1.131 29.128 30.300 -0.069 0.000 0.846 107 R HN 0.330 nan 8.270 nan 0.000 0.431 108 T N 0.036 114.470 114.554 -0.201 0.000 2.665 108 T HA -0.143 4.210 4.350 0.005 0.000 0.268 108 T C 1.078 175.504 174.700 -0.458 0.000 1.035 108 T CA 1.552 63.440 62.100 -0.354 0.000 1.151 108 T CB -0.301 68.263 68.868 -0.506 0.000 0.862 108 T HN 0.355 nan 8.240 nan 0.000 0.438 109 H N 0.161 119.098 119.070 -0.222 0.000 2.536 109 H HA 0.340 4.899 4.556 0.005 0.000 0.276 109 H C 1.704 176.839 175.328 -0.321 0.000 1.019 109 H CA 0.335 56.242 56.048 -0.235 0.000 1.159 109 H CB -0.390 29.193 29.762 -0.299 0.000 1.373 109 H HN 0.524 nan 8.280 nan 0.000 0.584 110 G N 1.150 109.845 108.800 -0.175 0.000 2.273 110 G HA2 -0.292 3.671 3.960 0.005 0.000 0.280 110 G HA3 -0.292 3.671 3.960 0.005 0.000 0.280 110 G C -0.266 174.443 174.900 -0.319 0.000 1.047 110 G CA 0.015 44.976 45.100 -0.232 0.000 0.869 110 G HN 0.219 nan 8.290 nan 0.000 0.502 111 F N -0.300 119.566 119.950 -0.141 0.000 2.403 111 F HA 0.439 4.969 4.527 0.005 0.000 0.326 111 F C 1.335 177.077 175.800 -0.096 0.000 1.081 111 F CA -0.668 57.261 58.000 -0.117 0.000 1.041 111 F CB 1.062 39.989 39.000 -0.122 0.000 1.234 111 F HN 0.040 nan 8.300 nan 0.000 0.503 112 D N 0.669 121.154 120.400 0.142 0.000 2.369 112 D HA 0.254 4.897 4.640 0.005 0.000 0.211 112 D C 0.668 176.992 176.300 0.040 0.000 1.077 112 D CA 0.438 54.469 54.000 0.053 0.000 0.842 112 D CB 0.871 41.698 40.800 0.046 0.000 0.947 112 D HN 0.632 nan 8.370 nan 0.000 0.509 113 G N 0.539 109.389 108.800 0.084 0.000 2.441 113 G HA2 0.420 4.383 3.960 0.005 0.000 0.294 113 G HA3 0.420 4.383 3.960 0.005 0.000 0.294 113 G C -2.272 172.676 174.900 0.080 0.000 1.393 113 G CA -0.758 44.370 45.100 0.046 0.000 0.796 113 G HN 0.053 nan 8.290 nan 0.000 0.494 114 L N -0.008 121.308 121.223 0.154 0.000 2.342 114 L HA 0.869 5.212 4.340 0.005 0.000 0.271 114 L C -1.331 175.623 176.870 0.140 0.000 1.008 114 L CA -0.628 54.309 54.840 0.162 0.000 0.818 114 L CB 2.307 44.532 42.059 0.277 0.000 1.296 114 L HN 0.583 nan 8.230 nan 0.000 0.427 115 D N 3.442 123.930 120.400 0.146 0.000 2.481 115 D HA 0.375 5.018 4.640 0.005 0.000 0.246 115 D C -1.307 175.132 176.300 0.233 0.000 1.109 115 D CA -0.164 53.931 54.000 0.158 0.000 0.845 115 D CB 1.012 41.927 40.800 0.191 0.000 1.160 115 D HN 0.526 nan 8.370 nan 0.000 0.534 116 L N 3.201 124.543 121.223 0.197 0.000 2.283 116 L HA 0.557 4.900 4.340 0.005 0.000 0.287 116 L C 0.462 177.440 176.870 0.181 0.000 1.073 116 L CA -0.673 54.292 54.840 0.208 0.000 0.822 116 L CB 1.326 43.485 42.059 0.166 0.000 1.186 116 L HN 0.565 nan 8.230 nan 0.000 0.436 117 A N 4.231 127.161 122.820 0.182 0.000 3.213 117 A HA 0.120 4.443 4.320 0.005 0.000 0.308 117 A C -0.470 177.118 177.584 0.008 0.000 1.177 117 A CA -0.500 51.627 52.037 0.149 0.000 1.010 117 A CB -0.169 18.992 19.000 0.270 0.000 1.092 117 A HN 0.740 nan 8.150 nan 0.000 0.583 118 W N 2.086 123.138 121.300 -0.415 0.000 2.655 118 W HA 0.435 5.099 4.660 0.005 0.000 0.333 118 W C -1.386 174.961 176.519 -0.286 0.000 1.382 118 W CA -0.373 56.546 57.345 -0.710 0.000 1.398 118 W CB -0.198 28.665 29.460 -0.994 0.000 1.481 118 W HN 0.335 nan 8.180 nan 0.000 0.526 119 L N 9.005 130.381 121.223 0.254 0.000 2.377 119 L HA 0.355 4.698 4.340 0.005 0.000 0.270 119 L C -0.993 175.891 176.870 0.022 0.000 0.991 119 L CA -0.802 53.977 54.840 -0.102 0.000 0.851 119 L CB 0.615 42.441 42.059 -0.388 0.000 1.218 119 L HN 0.214 nan 8.230 nan 0.000 0.420 120 Y N 2.120 122.586 120.300 0.277 0.000 2.536 120 Y HA 0.567 5.120 4.550 0.005 0.000 0.347 120 Y C -2.262 173.516 175.900 -0.202 0.000 1.000 120 Y CA -2.525 55.602 58.100 0.045 0.000 1.051 120 Y CB 1.967 40.477 38.460 0.084 0.000 1.259 120 Y HN 0.368 nan 8.280 nan 0.000 0.468 121 P HA 0.209 nan 4.420 nan 0.000 0.279 121 P C -0.026 177.062 177.300 -0.354 0.000 1.239 121 P CA -0.195 62.427 63.100 -0.797 0.000 0.789 121 P CB 0.921 31.754 31.700 -1.444 0.000 0.933 122 G N 1.336 110.031 108.800 -0.176 0.000 2.525 122 G HA2 0.142 4.105 3.960 0.005 0.000 0.287 122 G HA3 0.142 4.105 3.960 0.005 0.000 0.287 122 G C 0.832 175.651 174.900 -0.134 0.000 1.350 122 G CA -0.536 44.508 45.100 -0.094 0.000 1.039 122 G HN 0.450 nan 8.290 nan 0.000 0.513 123 R N -0.666 119.785 120.500 -0.082 0.000 2.096 123 R HA -0.015 4.328 4.340 0.005 0.000 0.235 123 R C 2.282 178.531 176.300 -0.085 0.000 1.127 123 R CA 0.973 57.024 56.100 -0.081 0.000 0.968 123 R CB -0.135 30.136 30.300 -0.048 0.000 0.861 123 R HN 0.474 nan 8.270 nan 0.000 0.440 124 R N -0.005 120.466 120.500 -0.048 0.000 2.323 124 R HA -0.007 4.336 4.340 0.005 0.000 0.198 124 R C 0.340 176.623 176.300 -0.028 0.000 0.988 124 R CA 0.590 56.676 56.100 -0.024 0.000 1.041 124 R CB 0.256 30.577 30.300 0.035 0.000 0.926 124 R HN 0.341 nan 8.270 nan 0.000 0.476 125 D N 0.105 120.459 120.400 -0.076 0.000 2.423 125 D HA -0.034 4.609 4.640 0.005 0.000 0.212 125 D C 1.449 177.599 176.300 -0.249 0.000 1.060 125 D CA 0.136 54.097 54.000 -0.064 0.000 0.872 125 D CB 0.216 40.972 40.800 -0.073 0.000 1.012 125 D HN 0.057 nan 8.370 nan 0.000 0.503 126 K N 1.713 121.936 120.400 -0.294 0.000 2.052 126 K HA -0.239 4.084 4.320 0.005 0.000 0.215 126 K C 2.126 178.591 176.600 -0.226 0.000 1.053 126 K CA 1.342 57.457 56.287 -0.287 0.000 0.934 126 K CB 0.141 32.517 32.500 -0.207 0.000 0.717 126 K HN -0.073 nan 8.250 nan 0.000 0.450 127 R N -0.332 120.004 120.500 -0.275 0.000 2.081 127 R HA -0.150 4.193 4.340 0.005 0.000 0.235 127 R C 2.100 178.318 176.300 -0.137 0.000 1.131 127 R CA 1.792 57.748 56.100 -0.240 0.000 0.960 127 R CB -0.298 29.806 30.300 -0.326 0.000 0.856 127 R HN 0.493 nan 8.270 nan 0.000 0.436 128 H N 0.492 119.586 119.070 0.040 0.000 2.428 128 H HA -0.091 4.469 4.556 0.005 0.000 0.296 128 H C 2.018 177.438 175.328 0.153 0.000 1.062 128 H CA 0.665 56.778 56.048 0.108 0.000 1.350 128 H CB -0.280 29.584 29.762 0.170 0.000 1.403 128 H HN 0.178 nan 8.280 nan 0.000 0.533 129 L N 0.995 122.314 121.223 0.159 0.000 2.046 129 L HA -0.141 4.202 4.340 0.005 0.000 0.208 129 L C 1.680 178.606 176.870 0.093 0.000 1.077 129 L CA 1.599 56.507 54.840 0.114 0.000 0.747 129 L CB -0.689 41.185 42.059 -0.309 0.000 0.896 129 L HN 0.182 nan 8.230 nan 0.000 0.432 130 T N -0.378 114.199 114.554 0.039 0.000 2.788 130 T HA -0.148 4.205 4.350 0.005 0.000 0.268 130 T C 1.772 176.508 174.700 0.060 0.000 1.044 130 T CA 1.894 64.025 62.100 0.051 0.000 1.139 130 T CB -0.324 68.563 68.868 0.032 0.000 0.867 130 T HN 0.440 nan 8.240 nan 0.000 0.454 131 T N 2.576 117.182 114.554 0.087 0.000 2.708 131 T HA -0.053 4.300 4.350 0.005 0.000 0.266 131 T C 1.903 176.641 174.700 0.064 0.000 1.037 131 T CA 0.923 63.070 62.100 0.079 0.000 1.146 131 T CB -0.534 68.416 68.868 0.136 0.000 0.865 131 T HN 0.138 nan 8.240 nan 0.000 0.435 132 L N 1.467 122.768 121.223 0.131 0.000 2.012 132 L HA -0.070 4.273 4.340 0.005 0.000 0.210 132 L C 2.457 179.359 176.870 0.054 0.000 1.073 132 L CA 1.616 56.541 54.840 0.142 0.000 0.748 132 L CB -0.861 41.360 42.059 0.270 0.000 0.891 132 L HN 0.084 nan 8.230 nan 0.000 0.431 133 V N -0.255 119.688 119.914 0.049 0.000 2.295 133 V HA -0.303 3.820 4.120 0.005 0.000 0.246 133 V C 2.628 178.636 176.094 -0.144 0.000 1.049 133 V CA 2.105 64.397 62.300 -0.013 0.000 1.024 133 V CB -0.661 31.194 31.823 0.054 0.000 0.648 133 V HN 0.461 nan 8.190 nan 0.000 0.447 134 K N -0.069 120.202 120.400 -0.214 0.000 1.991 134 K HA -0.238 4.085 4.320 0.005 0.000 0.212 134 K C 2.176 178.590 176.600 -0.310 0.000 1.049 134 K CA 2.099 58.095 56.287 -0.485 0.000 0.932 134 K CB -0.275 32.009 32.500 -0.361 0.000 0.717 134 K HN 0.544 nan 8.250 nan 0.000 0.441 135 E N 0.263 120.358 120.200 -0.174 0.000 2.153 135 E HA -0.209 4.144 4.350 0.005 0.000 0.194 135 E C 1.916 178.411 176.600 -0.175 0.000 0.988 135 E CA 1.127 57.450 56.400 -0.129 0.000 0.811 135 E CB -0.053 29.611 29.700 -0.061 0.000 0.746 135 E HN 0.187 nan 8.360 nan 0.000 0.466 136 M N 0.986 120.448 119.600 -0.231 0.000 2.200 136 M HA -0.105 4.378 4.480 0.005 0.000 0.265 136 M C 1.933 177.839 176.300 -0.657 0.000 1.066 136 M CA 1.484 56.526 55.300 -0.430 0.000 1.127 136 M CB 0.173 32.529 32.600 -0.406 0.000 1.379 136 M HN -0.223 nan 8.290 nan 0.000 0.420 137 K N 0.354 120.507 120.400 -0.411 0.000 2.103 137 K HA 0.137 4.460 4.320 0.005 0.000 0.204 137 K C 1.790 178.324 176.600 -0.110 0.000 1.052 137 K CA 1.688 57.819 56.287 -0.259 0.000 0.945 137 K CB -0.757 31.679 32.500 -0.106 0.000 0.722 137 K HN 0.350 nan 8.250 nan 0.000 0.443 138 A N 0.469 123.215 122.820 -0.123 0.000 1.972 138 A HA -0.150 4.174 4.320 0.005 0.000 0.219 138 A C 2.084 179.667 177.584 -0.001 0.000 1.169 138 A CA 1.946 53.956 52.037 -0.045 0.000 0.635 138 A CB -0.582 18.380 19.000 -0.064 0.000 0.810 138 A HN 0.477 nan 8.150 nan 0.000 0.446 139 E N -0.753 119.428 120.200 -0.033 0.000 2.107 139 E HA -0.090 4.263 4.350 0.005 0.000 0.191 139 E C 1.472 178.214 176.600 0.237 0.000 0.982 139 E CA 1.019 57.452 56.400 0.054 0.000 0.809 139 E CB -0.378 29.324 29.700 0.004 0.000 0.756 139 E HN 0.485 nan 8.360 nan 0.000 0.459 140 F N 0.306 120.251 119.950 -0.008 0.000 2.259 140 F HA 0.042 4.571 4.527 0.005 0.000 0.298 140 F C 2.093 177.900 175.800 0.011 0.000 1.088 140 F CA 0.499 58.500 58.000 0.002 0.000 1.358 140 F CB -0.648 38.357 39.000 0.007 0.000 1.040 140 F HN 0.091 nan 8.300 nan 0.000 0.505 141 I N -0.606 120.091 120.570 0.210 0.000 2.252 141 I HA -0.269 3.904 4.170 0.005 0.000 0.245 141 I C 2.643 178.814 176.117 0.090 0.000 1.102 141 I CA 1.013 62.388 61.300 0.124 0.000 1.385 141 I CB -0.283 37.770 38.000 0.090 0.000 1.064 141 I HN -0.031 nan 8.210 nan 0.000 0.414 142 R N 0.790 121.342 120.500 0.087 0.000 2.062 142 R HA -0.190 4.153 4.340 0.005 0.000 0.231 142 R C 2.375 178.709 176.300 0.057 0.000 1.136 142 R CA 1.386 57.523 56.100 0.062 0.000 0.948 142 R CB -0.225 30.108 30.300 0.054 0.000 0.845 142 R HN 0.185 nan 8.270 nan 0.000 0.430 143 E N 0.224 120.469 120.200 0.075 0.000 2.267 143 E HA -0.176 4.177 4.350 0.005 0.000 0.197 143 E C 1.401 178.014 176.600 0.021 0.000 0.998 143 E CA 1.232 57.660 56.400 0.046 0.000 0.830 143 E CB 0.025 29.756 29.700 0.051 0.000 0.751 143 E HN 0.460 nan 8.360 nan 0.000 0.491 144 A N 0.569 123.407 122.820 0.029 0.000 2.066 144 A HA -0.130 4.193 4.320 0.005 0.000 0.218 144 A C 1.973 179.565 177.584 0.014 0.000 1.157 144 A CA 0.768 52.814 52.037 0.014 0.000 0.670 144 A CB -0.306 18.710 19.000 0.026 0.000 0.804 144 A HN 0.273 nan 8.150 nan 0.000 0.453 145 Q N -0.477 119.335 119.800 0.020 0.000 2.368 145 Q HA -0.080 4.263 4.340 0.005 0.000 0.210 145 Q C 1.832 177.838 176.000 0.009 0.000 0.982 145 Q CA 0.944 56.757 55.803 0.016 0.000 0.884 145 Q CB -0.356 28.394 28.738 0.019 0.000 0.933 145 Q HN 0.680 nan 8.270 nan 0.000 0.460 146 A N -0.175 122.649 122.820 0.006 0.000 2.252 146 A HA 0.295 4.618 4.320 0.005 0.000 0.207 146 A C 1.485 179.066 177.584 -0.005 0.000 1.194 146 A CA 0.768 52.805 52.037 -0.000 0.000 0.809 146 A CB -0.282 18.717 19.000 -0.003 0.000 0.814 146 A HN 0.459 nan 8.150 nan 0.000 0.482 147 G N -1.133 107.664 108.800 -0.004 0.000 2.213 147 G HA2 -0.231 3.732 3.960 0.005 0.000 0.236 147 G HA3 -0.231 3.732 3.960 0.005 0.000 0.236 147 G C 0.593 175.486 174.900 -0.012 0.000 0.991 147 G CA 0.727 45.822 45.100 -0.007 0.000 0.629 147 G HN 1.430 nan 8.290 nan 0.000 0.517 148 T N -1.331 113.212 114.554 -0.018 0.000 2.902 148 T HA 0.629 4.982 4.350 0.005 0.000 0.280 148 T C 0.184 174.869 174.700 -0.024 0.000 0.992 148 T CA 0.201 62.285 62.100 -0.026 0.000 1.015 148 T CB 2.349 71.194 68.868 -0.038 0.000 1.044 148 T HN 0.466 nan 8.240 nan 0.000 0.520 149 E N 0.791 120.975 120.200 -0.027 0.000 2.415 149 E HA 0.020 4.373 4.350 0.005 0.000 0.263 149 E C 0.313 176.895 176.600 -0.029 0.000 0.995 149 E CA -0.207 56.181 56.400 -0.020 0.000 0.915 149 E CB 0.450 30.138 29.700 -0.020 0.000 0.951 149 E HN 0.648 nan 8.360 nan 0.000 0.449 150 Q N 3.830 123.625 119.800 -0.009 0.000 2.349 150 Q HA 0.034 4.377 4.340 0.005 0.000 0.287 150 Q C -0.739 175.233 176.000 -0.047 0.000 1.044 150 Q CA -0.151 55.645 55.803 -0.011 0.000 0.918 150 Q CB 0.550 29.311 28.738 0.039 0.000 1.242 150 Q HN 0.568 nan 8.270 nan 0.000 0.405 151 L N 4.159 125.285 121.223 -0.161 0.000 2.417 151 L HA 0.223 4.567 4.340 0.005 0.000 0.268 151 L C -0.052 176.780 176.870 -0.062 0.000 1.158 151 L CA -0.404 54.258 54.840 -0.296 0.000 0.819 151 L CB 0.442 41.943 42.059 -0.932 0.000 1.112 151 L HN 0.627 nan 8.230 nan 0.000 0.458 152 L N 3.159 124.399 121.223 0.027 0.000 2.399 152 L HA 0.446 4.789 4.340 0.005 0.000 0.266 152 L C -0.531 176.485 176.870 0.244 0.000 1.114 152 L CA -0.484 54.450 54.840 0.156 0.000 0.804 152 L CB 1.355 43.522 42.059 0.179 0.000 1.146 152 L HN 0.374 nan 8.230 nan 0.000 0.451 153 L N 2.183 123.511 121.223 0.174 0.000 2.441 153 L HA 0.548 4.891 4.340 0.005 0.000 0.270 153 L C -0.295 176.498 176.870 -0.129 0.000 0.973 153 L CA 0.191 55.107 54.840 0.126 0.000 0.842 153 L CB 1.723 43.849 42.059 0.112 0.000 1.239 153 L HN 0.738 nan 8.230 nan 0.000 0.406 154 S N 3.481 119.039 115.700 -0.238 0.000 2.745 154 S HA 1.059 5.532 4.470 0.005 0.000 0.306 154 S C -0.683 173.830 174.600 -0.146 0.000 1.137 154 S CA -0.228 57.690 58.200 -0.469 0.000 0.900 154 S CB 1.962 64.473 63.200 -1.148 0.000 1.176 154 S HN 1.358 nan 8.310 nan 0.000 0.520 155 A N -0.235 122.536 122.820 -0.082 0.000 2.566 155 A HA 0.829 5.152 4.320 0.005 0.000 0.297 155 A C -0.718 176.942 177.584 0.126 0.000 1.059 155 A CA -0.413 51.665 52.037 0.068 0.000 0.691 155 A CB 0.980 20.027 19.000 0.079 0.000 1.282 155 A HN 1.818 nan 8.150 nan 0.000 0.401 156 A N 1.356 124.286 122.820 0.183 0.000 2.260 156 A HA 0.659 4.982 4.320 0.005 0.000 0.308 156 A C -0.399 177.250 177.584 0.108 0.000 1.254 156 A CA -0.334 51.809 52.037 0.176 0.000 0.874 156 A CB 0.232 19.361 19.000 0.215 0.000 1.153 156 A HN 1.362 nan 8.150 nan 0.000 0.527 157 V N 2.044 121.967 119.914 0.015 0.000 2.715 157 V HA 0.496 4.619 4.120 0.005 0.000 0.310 157 V C 0.868 176.879 176.094 -0.137 0.000 1.054 157 V CA -0.623 61.595 62.300 -0.138 0.000 0.928 157 V CB 1.897 33.492 31.823 -0.379 0.000 1.007 157 V HN 0.988 nan 8.190 nan 0.000 0.437 158 S N 2.334 117.970 115.700 -0.108 0.000 2.579 158 S HA 0.383 4.856 4.470 0.005 0.000 0.275 158 S C 0.878 175.356 174.600 -0.204 0.000 1.345 158 S CA 0.259 58.401 58.200 -0.095 0.000 1.031 158 S CB 1.104 64.160 63.200 -0.239 0.000 0.892 158 S HN 1.144 nan 8.310 nan 0.000 0.529 159 A N 3.482 126.183 122.820 -0.198 0.000 2.500 159 A HA 0.485 4.808 4.320 0.005 0.000 0.267 159 A C 0.819 178.471 177.584 0.112 0.000 1.290 159 A CA 0.030 52.038 52.037 -0.049 0.000 0.928 159 A CB -0.455 18.506 19.000 -0.066 0.000 1.066 159 A HN 0.946 nan 8.150 nan 0.000 0.516 160 G N -0.030 108.757 108.800 -0.022 0.000 2.350 160 G HA2 0.334 4.297 3.960 0.005 0.000 0.306 160 G HA3 0.334 4.297 3.960 0.005 0.000 0.306 160 G C 0.830 175.734 174.900 0.006 0.000 1.094 160 G CA -0.378 44.742 45.100 0.034 0.000 0.953 160 G HN 0.115 nan 8.290 nan 0.000 0.420 161 K N 2.528 122.930 120.400 0.004 0.000 2.071 161 K HA -0.203 4.120 4.320 0.005 0.000 0.217 161 K C 2.174 178.700 176.600 -0.124 0.000 1.054 161 K CA 1.497 57.673 56.287 -0.185 0.000 0.937 161 K CB -0.186 32.002 32.500 -0.520 0.000 0.719 161 K HN 0.671 nan 8.250 nan 0.000 0.454 162 I N 0.183 120.692 120.570 -0.102 0.000 2.315 162 I HA -0.236 3.937 4.170 0.005 0.000 0.248 162 I C 2.447 178.537 176.117 -0.044 0.000 1.117 162 I CA 1.023 62.282 61.300 -0.067 0.000 1.404 162 I CB -0.336 37.633 38.000 -0.052 0.000 1.071 162 I HN 0.150 nan 8.210 nan 0.000 0.419 163 A N 1.206 123.982 122.820 -0.074 0.000 1.898 163 A HA -0.139 4.184 4.320 0.005 0.000 0.216 163 A C 2.279 179.912 177.584 0.081 0.000 1.181 163 A CA 1.302 53.289 52.037 -0.084 0.000 0.620 163 A CB -0.687 18.142 19.000 -0.285 0.000 0.819 163 A HN 0.345 nan 8.150 nan 0.000 0.442 164 I N -0.125 120.491 120.570 0.077 0.000 2.179 164 I HA -0.238 3.935 4.170 0.005 0.000 0.242 164 I C 1.869 178.095 176.117 0.181 0.000 1.088 164 I CA 1.551 62.939 61.300 0.146 0.000 1.357 164 I CB -0.524 37.539 38.000 0.105 0.000 1.051 164 I HN 0.242 nan 8.210 nan 0.000 0.409 165 D N 0.428 120.907 120.400 0.132 0.000 2.144 165 D HA -0.182 4.461 4.640 0.005 0.000 0.199 165 D C 2.193 178.516 176.300 0.037 0.000 0.984 165 D CA 0.981 55.035 54.000 0.089 0.000 0.834 165 D CB -0.260 40.585 40.800 0.074 0.000 0.955 165 D HN 0.275 nan 8.370 nan 0.000 0.465 166 R N 0.170 120.682 120.500 0.021 0.000 2.061 166 R HA -0.060 4.283 4.340 0.005 0.000 0.230 166 R C 1.656 177.908 176.300 -0.080 0.000 1.140 166 R CA 1.681 57.764 56.100 -0.028 0.000 0.940 166 R CB -0.175 30.101 30.300 -0.040 0.000 0.839 166 R HN 0.175 nan 8.270 nan 0.000 0.429 167 G N -1.231 107.497 108.800 -0.121 0.000 3.596 167 G HA2 0.173 4.136 3.960 0.005 0.000 0.274 167 G HA3 0.173 4.136 3.960 0.005 0.000 0.274 167 G C -0.810 173.787 174.900 -0.506 0.000 1.007 167 G CA -0.320 44.568 45.100 -0.352 0.000 0.825 167 G HN 0.155 nan 8.290 nan 0.000 0.508 168 Y N 0.079 120.295 120.300 -0.140 0.000 2.391 168 Y HA 0.423 4.976 4.550 0.006 0.000 0.341 168 Y C -0.862 174.979 175.900 -0.098 0.000 0.965 168 Y CA -1.395 56.629 58.100 -0.128 0.000 1.067 168 Y CB 2.375 40.773 38.460 -0.105 0.000 1.199 168 Y HN -0.068 nan 8.280 nan 0.000 0.450 169 D N 3.974 124.411 120.400 0.062 0.000 2.557 169 D HA 0.175 4.818 4.640 0.005 0.000 0.236 169 D C 1.013 177.329 176.300 0.026 0.000 1.154 169 D CA -0.021 53.989 54.000 0.016 0.000 0.985 169 D CB 0.250 41.046 40.800 -0.007 0.000 1.010 169 D HN 0.429 nan 8.370 nan 0.000 0.516 170 I N 1.795 122.372 120.570 0.011 0.000 2.113 170 I HA -0.327 3.846 4.170 0.005 0.000 0.242 170 I C 2.378 178.475 176.117 -0.034 0.000 1.064 170 I CA 1.201 62.487 61.300 -0.023 0.000 1.320 170 I CB -1.554 36.394 38.000 -0.087 0.000 1.028 170 I HN 0.337 nan 8.210 nan 0.000 0.406 171 A N 0.085 122.876 122.820 -0.050 0.000 1.917 171 A HA -0.252 4.071 4.320 0.005 0.000 0.219 171 A C 2.275 179.833 177.584 -0.044 0.000 1.182 171 A CA 1.661 53.667 52.037 -0.053 0.000 0.633 171 A CB -0.483 18.485 19.000 -0.054 0.000 0.819 171 A HN 0.490 nan 8.150 nan 0.000 0.448 172 Q N -0.287 119.502 119.800 -0.018 0.000 1.946 172 Q HA -0.096 4.247 4.340 0.005 0.000 0.199 172 Q C 2.318 178.336 176.000 0.029 0.000 0.979 172 Q CA 1.612 57.419 55.803 0.007 0.000 0.834 172 Q CB -0.682 28.084 28.738 0.046 0.000 0.899 172 Q HN 0.914 nan 8.270 nan 0.000 0.431 173 I N -1.211 119.401 120.570 0.070 0.000 2.530 173 I HA -0.186 3.987 4.170 0.005 0.000 0.257 173 I C 1.868 178.014 176.117 0.048 0.000 1.179 173 I CA 1.191 62.553 61.300 0.104 0.000 1.440 173 I CB -0.332 37.728 38.000 0.101 0.000 1.087 173 I HN -0.115 nan 8.210 nan 0.000 0.440 174 S N 1.949 117.646 115.700 -0.006 0.000 2.383 174 S HA -0.098 4.375 4.470 0.005 0.000 0.227 174 S C 1.946 176.510 174.600 -0.059 0.000 1.026 174 S CA 1.506 59.693 58.200 -0.022 0.000 0.981 174 S CB -0.333 62.848 63.200 -0.032 0.000 0.818 174 S HN 0.655 nan 8.310 nan 0.000 0.472 175 R N 0.363 120.768 120.500 -0.159 0.000 2.280 175 R HA 0.077 4.420 4.340 0.005 0.000 0.207 175 R C 1.051 177.172 176.300 -0.299 0.000 1.043 175 R CA 1.023 56.971 56.100 -0.254 0.000 1.006 175 R CB -0.432 29.654 30.300 -0.356 0.000 0.885 175 R HN 0.449 nan 8.270 nan 0.000 0.467 176 H N 0.206 119.281 119.070 0.009 0.000 2.750 176 H HA 0.309 4.869 4.556 0.006 0.000 0.263 176 H C 0.393 175.723 175.328 0.003 0.000 0.964 176 H CA -0.094 55.957 56.048 0.005 0.000 1.205 176 H CB 0.596 30.355 29.762 -0.005 0.000 1.454 176 H HN 0.031 nan 8.280 nan 0.000 0.503 177 L N 1.465 122.746 121.223 0.096 0.000 2.307 177 L HA 0.133 4.476 4.340 0.005 0.000 0.282 177 L C 1.119 178.008 176.870 0.031 0.000 1.051 177 L CA -0.458 54.405 54.840 0.038 0.000 0.804 177 L CB 1.543 43.608 42.059 0.010 0.000 1.197 177 L HN -0.056 nan 8.230 nan 0.000 0.431 178 D N 2.250 122.654 120.400 0.006 0.000 2.178 178 D HA -0.034 4.609 4.640 0.005 0.000 0.202 178 D C -0.176 176.253 176.300 0.214 0.000 0.974 178 D CA 1.572 55.628 54.000 0.092 0.000 0.841 178 D CB 0.217 41.090 40.800 0.122 0.000 0.953 178 D HN 0.355 nan 8.370 nan 0.000 0.478 179 F N -1.567 118.405 119.950 0.037 0.000 2.708 179 F HA 0.468 4.998 4.527 0.006 0.000 0.309 179 F C -1.667 174.159 175.800 0.044 0.000 1.120 179 F CA -1.314 56.699 58.000 0.022 0.000 0.978 179 F CB 0.754 39.743 39.000 -0.017 0.000 1.283 179 F HN -0.383 nan 8.300 nan 0.000 0.439 180 I N 2.420 123.140 120.570 0.250 0.000 2.378 180 I HA 0.395 4.568 4.170 0.005 0.000 0.291 180 I C -0.508 175.750 176.117 0.235 0.000 0.992 180 I CA -0.804 60.589 61.300 0.156 0.000 1.154 180 I CB 2.089 40.131 38.000 0.071 0.000 1.315 180 I HN 0.639 nan 8.210 nan 0.000 0.448 181 S N 7.003 122.851 115.700 0.247 0.000 2.430 181 S HA 0.431 4.904 4.470 0.005 0.000 0.289 181 S C -0.153 174.521 174.600 0.123 0.000 1.143 181 S CA -0.538 57.817 58.200 0.257 0.000 1.067 181 S CB 0.601 64.033 63.200 0.387 0.000 0.964 181 S HN 0.383 nan 8.310 nan 0.000 0.485 182 L N 4.366 125.636 121.223 0.079 0.000 2.313 182 L HA 0.302 4.645 4.340 0.005 0.000 0.282 182 L C -0.224 176.576 176.870 -0.115 0.000 1.092 182 L CA -0.395 54.436 54.840 -0.016 0.000 0.831 182 L CB 0.534 42.601 42.059 0.014 0.000 1.159 182 L HN 0.565 nan 8.230 nan 0.000 0.442 183 L N 4.546 125.610 121.223 -0.264 0.000 2.391 183 L HA 0.078 4.421 4.340 0.005 0.000 0.249 183 L C 0.886 177.286 176.870 -0.785 0.000 1.308 183 L CA -0.187 54.252 54.840 -0.669 0.000 1.209 183 L CB -0.487 41.228 42.059 -0.574 0.000 1.401 183 L HN 0.641 nan 8.230 nan 0.000 0.416 184 T N -2.772 111.461 114.554 -0.536 0.000 3.607 184 T HA 0.114 4.467 4.350 0.005 0.000 0.225 184 T C 0.485 175.028 174.700 -0.263 0.000 0.904 184 T CA -0.304 61.587 62.100 -0.347 0.000 0.962 184 T CB -0.570 68.329 68.868 0.052 0.000 1.221 184 T HN 0.556 nan 8.240 nan 0.000 0.641 185 Y N -2.464 117.660 120.300 -0.293 0.000 2.563 185 Y HA 0.472 5.024 4.550 0.004 0.000 0.273 185 Y C -0.051 175.900 175.900 0.085 0.000 1.034 185 Y CA -1.298 56.763 58.100 -0.065 0.000 1.217 185 Y CB -0.052 38.444 38.460 0.060 0.000 1.380 185 Y HN 0.167 nan 8.280 nan 0.000 0.568 186 D N 1.017 121.467 120.400 0.084 0.000 3.163 186 D HA 0.230 4.873 4.640 0.005 0.000 0.284 186 D C 0.237 176.667 176.300 0.216 0.000 1.368 186 D CA -0.122 54.055 54.000 0.295 0.000 0.895 186 D CB -0.373 40.575 40.800 0.247 0.000 1.061 186 D HN 0.174 nan 8.370 nan 0.000 0.496 187 F N -0.057 120.096 119.950 0.339 0.000 2.367 187 F HA -0.009 4.522 4.527 0.005 0.000 0.298 187 F C 1.503 177.514 175.800 0.352 0.000 1.094 187 F CA 0.747 58.907 58.000 0.267 0.000 1.409 187 F CB 0.067 39.177 39.000 0.184 0.000 1.064 187 F HN 0.209 nan 8.300 nan 0.000 0.528 188 H N -1.368 117.996 119.070 0.490 0.000 2.824 188 H HA 0.628 5.187 4.556 0.005 0.000 0.345 188 H C 0.179 175.602 175.328 0.159 0.000 1.252 188 H CA 0.181 56.418 56.048 0.315 0.000 1.246 188 H CB 1.792 31.693 29.762 0.231 0.000 1.908 188 H HN 0.147 nan 8.280 nan 0.000 0.601 189 G N -0.790 107.657 108.800 -0.589 0.000 3.400 189 G HA2 0.449 4.413 3.960 0.005 0.000 0.167 189 G HA3 0.449 4.413 3.960 0.005 0.000 0.167 189 G C -0.923 173.212 174.900 -1.276 0.000 1.196 189 G CA 0.281 44.097 45.100 -2.140 0.000 1.174 189 G HN 0.713 nan 8.290 nan 0.000 0.681 190 A N -1.219 120.677 122.820 -1.539 0.000 2.455 190 A HA 0.371 4.694 4.320 0.005 0.000 0.233 190 A C 0.689 178.229 177.584 -0.073 0.000 0.968 190 A CA 0.504 52.376 52.037 -0.275 0.000 1.189 190 A CB -0.823 18.076 19.000 -0.168 0.000 1.175 190 A HN 0.796 nan 8.150 nan 0.000 0.451 191 W N -0.308 121.058 121.300 0.110 0.000 2.996 191 W HA 0.491 5.153 4.660 0.004 0.000 0.270 191 W C 0.626 177.162 176.519 0.029 0.000 1.280 191 W CA -0.255 57.126 57.345 0.061 0.000 1.549 191 W CB 0.217 29.703 29.460 0.043 0.000 1.079 191 W HN 0.049 nan 8.180 nan 0.000 0.629 192 R N 2.619 123.120 120.500 0.002 0.000 2.445 192 R HA 0.143 4.486 4.340 0.005 0.000 0.308 192 R C 0.489 176.749 176.300 -0.067 0.000 0.961 192 R CA -0.577 55.502 56.100 -0.036 0.000 0.862 192 R CB 1.334 31.549 30.300 -0.142 0.000 1.144 192 R HN 0.111 nan 8.270 nan 0.000 0.447 193 Q N 1.608 121.385 119.800 -0.039 0.000 2.945 193 Q HA 0.058 4.401 4.340 0.005 0.000 0.323 193 Q C -0.221 175.706 176.000 -0.122 0.000 1.188 193 Q CA 0.147 55.916 55.803 -0.057 0.000 0.929 193 Q CB 0.243 28.966 28.738 -0.025 0.000 1.531 193 Q HN 0.385 nan 8.270 nan 0.000 0.444 194 T N -1.209 113.234 114.554 -0.184 0.000 2.889 194 T HA 0.315 4.668 4.350 0.005 0.000 0.315 194 T C -1.065 173.323 174.700 -0.521 0.000 1.291 194 T CA -0.495 61.443 62.100 -0.270 0.000 1.028 194 T CB 2.205 70.979 68.868 -0.156 0.000 1.235 194 T HN 0.115 nan 8.240 nan 0.000 0.491 195 V N 2.941 122.398 119.914 -0.762 0.000 2.530 195 V HA 0.737 4.860 4.120 0.005 0.000 0.282 195 V C 0.883 176.299 176.094 -1.129 0.000 1.048 195 V CA 1.016 62.526 62.300 -1.317 0.000 0.997 195 V CB 0.786 31.672 31.823 -1.562 0.000 0.987 195 V HN 1.140 nan 8.190 nan 0.000 0.477 196 G N 3.596 111.609 108.800 -1.313 0.000 2.667 196 G HA2 0.319 4.282 3.960 0.005 0.000 0.294 196 G HA3 0.319 4.282 3.960 0.005 0.000 0.294 196 G C -1.585 173.149 174.900 -0.276 0.000 1.467 196 G CA -0.646 43.830 45.100 -1.040 0.000 0.852 196 G HN 0.647 nan 8.290 nan 0.000 0.521 197 H N 0.216 119.310 119.070 0.040 0.000 2.646 197 H HA 0.186 4.746 4.556 0.007 0.000 0.325 197 H C 1.454 176.958 175.328 0.293 0.000 1.075 197 H CA 0.444 56.677 56.048 0.309 0.000 1.421 197 H CB 1.267 31.214 29.762 0.309 0.000 1.461 197 H HN 0.844 nan 8.280 nan 0.000 0.525 198 H N 1.004 120.232 119.070 0.262 0.000 2.470 198 H HA 0.039 4.599 4.556 0.007 0.000 0.289 198 H C 0.558 176.187 175.328 0.503 0.000 1.033 198 H CA 0.657 56.933 56.048 0.379 0.000 1.331 198 H CB 0.428 30.331 29.762 0.234 0.000 1.414 198 H HN 0.301 nan 8.280 nan 0.000 0.545 199 S N 0.524 116.262 115.700 0.063 0.000 2.422 199 S HA 0.328 4.801 4.470 0.005 0.000 0.226 199 S C -2.810 171.829 174.600 0.064 0.000 1.242 199 S CA -1.393 56.884 58.200 0.127 0.000 1.231 199 S CB 0.501 63.624 63.200 -0.129 0.000 1.067 199 S HN 0.197 nan 8.310 nan 0.000 0.462 200 P HA 0.128 nan 4.420 nan 0.000 0.271 200 P C 0.713 177.875 177.300 -0.230 0.000 1.218 200 P CA -0.508 62.479 63.100 -0.189 0.000 0.780 200 P CB 1.273 32.872 31.700 -0.168 0.000 0.901 201 L N 3.003 124.017 121.223 -0.349 0.000 2.102 201 L HA 0.239 4.582 4.340 0.005 0.000 0.202 201 L C 0.506 176.902 176.870 -0.789 0.000 1.076 201 L CA 1.680 56.132 54.840 -0.646 0.000 0.761 201 L CB -0.629 40.915 42.059 -0.857 0.000 0.921 201 L HN 0.195 nan 8.230 nan 0.000 0.444 202 F N -1.814 118.021 119.950 -0.192 0.000 2.557 202 F HA 0.595 5.126 4.527 0.008 0.000 0.336 202 F C 1.345 177.047 175.800 -0.163 0.000 1.058 202 F CA -0.444 57.463 58.000 -0.154 0.000 0.988 202 F CB 0.659 39.596 39.000 -0.105 0.000 1.275 202 F HN -0.070 nan 8.300 nan 0.000 0.488 203 A N 1.209 124.079 122.820 0.084 0.000 1.835 203 A HA 0.343 4.666 4.320 0.005 0.000 0.215 203 A C 1.124 178.656 177.584 -0.087 0.000 1.199 203 A CA 1.216 53.218 52.037 -0.058 0.000 0.615 203 A CB -1.341 17.620 19.000 -0.065 0.000 0.838 203 A HN 1.769 nan 8.150 nan 0.000 0.444 204 G N -0.294 108.476 108.800 -0.049 0.000 3.081 204 G HA2 -0.156 3.807 3.960 0.005 0.000 0.603 204 G HA3 -0.156 3.807 3.960 0.005 0.000 0.603 204 G C 0.083 174.929 174.900 -0.089 0.000 1.106 204 G CA 0.259 45.315 45.100 -0.073 0.000 1.001 204 G HN 0.950 nan 8.290 nan 0.000 0.445 205 N N 0.462 119.122 118.700 -0.068 0.000 2.310 205 N HA -0.177 4.566 4.740 0.005 0.000 0.193 205 N C 0.588 176.055 175.510 -0.073 0.000 1.001 205 N CA 1.239 54.249 53.050 -0.067 0.000 0.890 205 N CB 0.066 38.522 38.487 -0.051 0.000 0.972 205 N HN 0.696 nan 8.380 nan 0.000 0.445 206 E N 1.626 121.781 120.200 -0.076 0.000 2.392 206 E HA 0.016 4.369 4.350 0.005 0.000 0.259 206 E C -0.399 176.141 176.600 -0.100 0.000 1.108 206 E CA -0.243 56.112 56.400 -0.076 0.000 0.916 206 E CB 0.452 30.115 29.700 -0.063 0.000 0.989 206 E HN 0.151 nan 8.360 nan 0.000 0.432 207 D N 0.555 120.901 120.400 -0.090 0.000 8.123 207 D HA -0.174 4.469 4.640 0.005 0.000 0.129 207 D C -0.468 175.760 176.300 -0.120 0.000 1.103 207 D CA 0.872 54.814 54.000 -0.098 0.000 0.894 207 D CB -0.328 40.414 40.800 -0.097 0.000 1.688 207 D HN 0.451 nan 8.370 nan 0.000 0.961 208 A N 1.249 123.995 122.820 -0.123 0.000 2.414 208 A HA 0.854 5.177 4.320 0.005 0.000 0.278 208 A C 0.893 178.381 177.584 -0.160 0.000 1.228 208 A CA 0.416 52.360 52.037 -0.155 0.000 0.857 208 A CB 2.247 21.145 19.000 -0.169 0.000 1.389 208 A HN 0.764 nan 8.150 nan 0.000 0.452 209 S N -2.071 113.500 115.700 -0.215 0.000 2.013 209 S HA -0.034 4.439 4.470 0.005 0.000 0.101 209 S C 0.604 175.004 174.600 -0.334 0.000 0.534 209 S CA 0.908 58.974 58.200 -0.222 0.000 1.602 209 S CB -1.410 61.700 63.200 -0.149 0.000 0.832 209 S HN 1.202 nan 8.310 nan 0.000 0.378 213 F N 0.870 120.435 119.950 -0.642 0.000 2.731 213 F HA 0.326 4.855 4.527 0.004 0.000 0.298 213 F C 0.910 176.406 175.800 -0.507 0.000 1.106 213 F CA -0.047 57.402 58.000 -0.918 0.000 1.329 213 F CB 0.673 39.196 39.000 -0.795 0.000 1.100 213 F HN -0.272 nan 8.300 nan 0.000 0.592 214 S N 2.071 117.562 115.700 -0.349 0.000 3.965 214 S HA 0.314 4.787 4.470 0.005 0.000 0.195 214 S C -0.376 173.523 174.600 -1.168 0.000 1.449 214 S CA -0.443 57.367 58.200 -0.650 0.000 0.965 214 S CB -1.278 61.810 63.200 -0.186 0.000 1.459 214 S HN 0.554 nan 8.310 nan 0.000 0.476 215 N N -1.302 116.570 118.700 -1.380 0.000 2.859 215 N HA 0.533 5.276 4.740 0.005 0.000 0.250 215 N C 0.377 175.599 175.510 -0.481 0.000 1.341 215 N CA -0.706 51.809 53.050 -0.893 0.000 0.881 215 N CB 0.411 38.661 38.487 -0.394 0.000 1.516 215 N HN -0.043 nan 8.380 nan 0.000 0.503 216 A N 0.382 123.102 122.820 -0.166 0.000 1.908 216 A HA -0.237 4.086 4.320 0.005 0.000 0.218 216 A C 1.644 179.183 177.584 -0.075 0.000 1.181 216 A CA 2.316 54.347 52.037 -0.009 0.000 0.627 216 A CB -1.209 17.715 19.000 -0.127 0.000 0.818 216 A HN 0.940 nan 8.150 nan 0.000 0.445 217 D N -2.499 117.760 120.400 -0.234 0.000 2.178 217 D HA -0.214 4.429 4.640 0.005 0.000 0.201 217 D C 1.650 178.039 176.300 0.149 0.000 0.980 217 D CA 1.419 55.402 54.000 -0.028 0.000 0.842 217 D CB -0.195 40.628 40.800 0.037 0.000 0.948 217 D HN 0.559 nan 8.370 nan 0.000 0.472 218 Y N 0.569 120.880 120.300 0.019 0.000 2.153 218 Y HA 0.028 4.581 4.550 0.004 0.000 0.289 218 Y C 2.262 178.229 175.900 0.112 0.000 1.127 218 Y CA 1.585 59.726 58.100 0.068 0.000 1.131 218 Y CB -0.693 37.786 38.460 0.030 0.000 0.995 218 Y HN 0.040 nan 8.280 nan 0.000 0.505 219 A N -0.270 122.692 122.820 0.237 0.000 1.892 219 A HA -0.237 4.086 4.320 0.005 0.000 0.218 219 A C 2.306 179.964 177.584 0.124 0.000 1.188 219 A CA 2.563 54.734 52.037 0.223 0.000 0.631 219 A CB -1.473 17.722 19.000 0.325 0.000 0.822 219 A HN 0.352 nan 8.150 nan 0.000 0.447 220 V N -0.073 119.917 119.914 0.127 0.000 2.255 220 V HA -0.264 3.859 4.120 0.005 0.000 0.247 220 V C 2.802 178.929 176.094 0.055 0.000 1.051 220 V CA 2.461 64.830 62.300 0.115 0.000 1.018 220 V CB -1.094 30.855 31.823 0.210 0.000 0.641 220 V HN 0.588 nan 8.190 nan 0.000 0.445 221 S N -1.137 114.585 115.700 0.036 0.000 2.365 221 S HA -0.270 4.203 4.470 0.005 0.000 0.225 221 S C 1.885 176.447 174.600 -0.064 0.000 1.039 221 S CA 2.135 60.323 58.200 -0.020 0.000 1.033 221 S CB -0.542 62.635 63.200 -0.039 0.000 0.887 221 S HN 0.635 nan 8.310 nan 0.000 0.447 222 Y N 2.073 122.180 120.300 -0.321 0.000 2.145 222 Y HA -0.124 4.428 4.550 0.004 0.000 0.286 222 Y C 2.344 178.148 175.900 -0.160 0.000 1.145 222 Y CA 1.310 59.221 58.100 -0.314 0.000 1.148 222 Y CB -0.436 37.774 38.460 -0.416 0.000 0.981 222 Y HN 0.119 nan 8.280 nan 0.000 0.507 223 M N -0.445 119.110 119.600 -0.075 0.000 2.108 223 M HA -0.246 4.237 4.480 0.005 0.000 0.261 223 M C 2.288 178.510 176.300 -0.131 0.000 1.066 223 M CA 1.539 56.762 55.300 -0.129 0.000 1.107 223 M CB -1.310 31.263 32.600 -0.045 0.000 1.356 223 M HN 0.365 nan 8.290 nan 0.000 0.406 224 L N -0.860 120.313 121.223 -0.083 0.000 2.083 224 L HA -0.216 4.127 4.340 0.005 0.000 0.209 224 L C 2.747 179.557 176.870 -0.100 0.000 1.083 224 L CA 1.152 55.950 54.840 -0.069 0.000 0.752 224 L CB -0.682 41.355 42.059 -0.037 0.000 0.899 224 L HN 0.353 nan 8.230 nan 0.000 0.433 225 R N 0.944 121.361 120.500 -0.138 0.000 2.066 225 R HA -0.143 4.200 4.340 0.005 0.000 0.232 225 R C 2.201 178.381 176.300 -0.199 0.000 1.131 225 R CA 1.256 57.265 56.100 -0.153 0.000 0.955 225 R CB -0.232 29.973 30.300 -0.158 0.000 0.851 225 R HN 0.313 nan 8.270 nan 0.000 0.432 226 L N -0.297 120.743 121.223 -0.305 0.000 2.549 226 L HA 0.032 4.375 4.340 0.005 0.000 0.229 226 L C 1.213 177.984 176.870 -0.166 0.000 1.158 226 L CA 1.024 55.695 54.840 -0.282 0.000 0.842 226 L CB 0.072 41.901 42.059 -0.384 0.000 0.952 226 L HN 0.744 nan 8.230 nan 0.000 0.452 227 G N -1.061 107.660 108.800 -0.131 0.000 2.183 227 G HA2 -0.122 3.841 3.960 0.005 0.000 0.168 227 G HA3 -0.122 3.841 3.960 0.005 0.000 0.168 227 G C 0.192 175.049 174.900 -0.072 0.000 1.008 227 G CA -0.256 44.791 45.100 -0.089 0.000 0.677 227 G HN 0.386 nan 8.290 nan 0.000 0.498 228 A N 0.982 123.758 122.820 -0.074 0.000 2.320 228 A HA 0.745 5.068 4.320 0.005 0.000 0.287 228 A C -1.979 175.586 177.584 -0.031 0.000 1.181 228 A CA -1.153 50.856 52.037 -0.048 0.000 0.831 228 A CB 0.418 19.391 19.000 -0.046 0.000 1.102 228 A HN 0.101 nan 8.150 nan 0.000 0.513 229 P HA 0.238 nan 4.420 nan 0.000 0.271 229 P C 0.859 178.162 177.300 0.004 0.000 1.216 229 P CA 0.251 63.345 63.100 -0.011 0.000 0.771 229 P CB 1.211 32.906 31.700 -0.008 0.000 0.864 230 A N 4.032 126.853 122.820 0.003 0.000 1.978 230 A HA -0.226 4.097 4.320 0.005 0.000 0.220 230 A C 1.604 179.204 177.584 0.027 0.000 1.170 230 A CA 1.934 53.981 52.037 0.015 0.000 0.636 230 A CB -1.302 17.704 19.000 0.009 0.000 0.810 230 A HN 0.703 nan 8.150 nan 0.000 0.448 231 N N -0.826 117.884 118.700 0.016 0.000 2.575 231 N HA -0.055 4.688 4.740 0.005 0.000 0.192 231 N C 0.769 176.303 175.510 0.040 0.000 1.200 231 N CA 1.092 54.151 53.050 0.016 0.000 0.897 231 N CB -0.162 38.325 38.487 -0.001 0.000 0.990 231 N HN 0.550 nan 8.380 nan 0.000 0.449 232 K N -0.625 119.808 120.400 0.056 0.000 2.440 232 K HA 0.280 4.603 4.320 0.005 0.000 0.207 232 K C -0.226 176.446 176.600 0.121 0.000 1.112 232 K CA -0.237 56.108 56.287 0.097 0.000 1.036 232 K CB 0.878 33.425 32.500 0.078 0.000 0.935 232 K HN 0.131 nan 8.250 nan 0.000 0.564 233 L N 2.214 123.489 121.223 0.087 0.000 2.290 233 L HA 0.267 4.610 4.340 0.005 0.000 0.284 233 L C -0.615 176.317 176.870 0.104 0.000 1.078 233 L CA -0.566 54.329 54.840 0.092 0.000 0.815 233 L CB 1.457 43.554 42.059 0.064 0.000 1.162 233 L HN -0.227 nan 8.230 nan 0.000 0.435 234 V N 5.275 125.266 119.914 0.128 0.000 2.540 234 V HA 0.350 4.473 4.120 0.005 0.000 0.302 234 V C 0.002 176.174 176.094 0.131 0.000 1.035 234 V CA -0.495 61.876 62.300 0.119 0.000 0.873 234 V CB 1.968 33.861 31.823 0.116 0.000 0.992 234 V HN 0.730 nan 8.190 nan 0.000 0.428 235 M N 3.745 123.420 119.600 0.126 0.000 2.188 235 M HA 0.586 5.069 4.480 0.005 0.000 0.357 235 M C 0.572 176.967 176.300 0.158 0.000 1.204 235 M CA -0.220 55.159 55.300 0.132 0.000 1.095 235 M CB 0.942 33.626 32.600 0.138 0.000 1.604 235 M HN 0.800 nan 8.290 nan 0.000 0.464 236 G N 6.196 115.094 108.800 0.163 0.000 2.355 236 G HA2 0.514 4.477 3.960 0.005 0.000 0.276 236 G HA3 0.514 4.477 3.960 0.005 0.000 0.276 236 G C -0.737 174.359 174.900 0.326 0.000 1.198 236 G CA -0.562 44.706 45.100 0.279 0.000 0.876 236 G HN 0.785 nan 8.290 nan 0.000 0.478 237 I N 4.071 124.836 120.570 0.325 0.000 2.389 237 I HA 0.245 4.418 4.170 0.005 0.000 0.288 237 I C -2.233 174.003 176.117 0.199 0.000 0.999 237 I CA -2.245 59.187 61.300 0.219 0.000 1.129 237 I CB 2.849 40.924 38.000 0.124 0.000 1.288 237 I HN 0.278 nan 8.210 nan 0.000 0.444 238 P HA 0.150 nan 4.420 nan 0.000 0.272 238 P C 0.121 177.397 177.300 -0.039 0.000 1.230 238 P CA -0.042 62.978 63.100 -0.133 0.000 0.788 238 P CB 0.845 32.329 31.700 -0.361 0.000 0.949 239 T N -0.012 114.580 114.554 0.064 0.000 3.192 239 T HA 0.326 4.679 4.350 0.005 0.000 0.295 239 T C -0.529 174.311 174.700 0.233 0.000 0.947 239 T CA -0.158 62.014 62.100 0.120 0.000 0.916 239 T CB -0.381 68.592 68.868 0.175 0.000 1.169 239 T HN 0.358 nan 8.240 nan 0.000 0.540 240 F N -0.709 119.302 119.950 0.102 0.000 2.640 240 F HA 0.923 5.454 4.527 0.007 0.000 0.324 240 F C -0.001 175.853 175.800 0.089 0.000 1.077 240 F CA -1.584 56.457 58.000 0.069 0.000 0.965 240 F CB 0.725 39.745 39.000 0.033 0.000 1.351 240 F HN -0.092 nan 8.300 nan 0.000 0.487 241 G N 0.333 109.180 108.800 0.079 0.000 2.537 241 G HA2 0.666 4.629 3.960 0.005 0.000 0.308 241 G HA3 0.666 4.629 3.960 0.005 0.000 0.308 241 G C -1.641 173.179 174.900 -0.133 0.000 1.237 241 G CA -1.419 43.644 45.100 -0.063 0.000 0.968 241 G HN 0.689 nan 8.290 nan 0.000 0.481 242 R N 0.313 120.613 120.500 -0.333 0.000 2.445 242 R HA 0.553 4.896 4.340 0.005 0.000 0.308 242 R C -0.246 175.813 176.300 -0.403 0.000 0.961 242 R CA -0.510 55.366 56.100 -0.373 0.000 0.862 242 R CB 1.885 31.887 30.300 -0.496 0.000 1.144 242 R HN 0.663 nan 8.270 nan 0.000 0.447 243 S N 1.851 117.273 115.700 -0.463 0.000 2.718 243 S HA 0.757 5.230 4.470 0.005 0.000 0.300 243 S C -0.477 173.762 174.600 -0.603 0.000 1.117 243 S CA -0.675 57.304 58.200 -0.368 0.000 1.002 243 S CB 1.166 64.228 63.200 -0.229 0.000 1.092 243 S HN 0.426 nan 8.310 nan 0.000 0.542 244 F N -0.924 119.113 119.950 0.144 0.000 2.626 244 F HA 0.496 5.026 4.527 0.004 0.000 0.311 244 F C -0.109 175.771 175.800 0.133 0.000 1.088 244 F CA -0.793 57.280 58.000 0.122 0.000 0.949 244 F CB 2.503 41.578 39.000 0.126 0.000 1.322 244 F HN 0.484 nan 8.300 nan 0.000 0.461 245 T N 3.482 118.214 114.554 0.297 0.000 2.821 245 T HA 0.478 4.831 4.350 0.005 0.000 0.307 245 T C -0.162 174.633 174.700 0.159 0.000 1.034 245 T CA -0.547 61.673 62.100 0.200 0.000 0.953 245 T CB 0.173 69.122 68.868 0.136 0.000 0.968 245 T HN 0.289 nan 8.240 nan 0.000 0.462 246 L N 2.007 123.324 121.223 0.156 0.000 2.506 246 L HA 0.191 4.534 4.340 0.005 0.000 0.281 246 L C 1.488 178.387 176.870 0.049 0.000 1.228 246 L CA -0.244 54.641 54.840 0.075 0.000 0.850 246 L CB 0.245 42.364 42.059 0.100 0.000 1.110 246 L HN 0.712 nan 8.230 nan 0.000 0.496 247 A N 1.477 124.300 122.820 0.007 0.000 2.348 247 A HA 0.268 4.591 4.320 0.005 0.000 0.224 247 A C 0.680 178.268 177.584 0.007 0.000 1.227 247 A CA 0.615 52.656 52.037 0.008 0.000 0.885 247 A CB 0.037 19.031 19.000 -0.010 0.000 0.933 247 A HN 0.754 nan 8.150 nan 0.000 0.506 248 S N -1.947 113.757 115.700 0.006 0.000 2.688 248 S HA 0.376 4.849 4.470 0.005 0.000 0.275 248 S C 0.583 175.201 174.600 0.029 0.000 1.175 248 S CA 0.374 58.581 58.200 0.011 0.000 0.818 248 S CB 0.724 63.919 63.200 -0.007 0.000 1.157 248 S HN 0.649 nan 8.310 nan 0.000 0.482 249 S N -0.491 115.228 115.700 0.032 0.000 2.603 249 S HA 0.085 4.558 4.470 0.005 0.000 0.229 249 S C 0.512 175.144 174.600 0.054 0.000 0.972 249 S CA 0.162 58.392 58.200 0.050 0.000 0.935 249 S CB -0.694 62.532 63.200 0.044 0.000 0.769 249 S HN 0.789 nan 8.310 nan 0.000 0.536 250 K N 1.048 121.465 120.400 0.028 0.000 2.322 250 K HA 0.236 4.559 4.320 0.005 0.000 0.283 250 K C 0.126 176.744 176.600 0.031 0.000 1.042 250 K CA 0.207 56.504 56.287 0.017 0.000 0.958 250 K CB 0.579 33.065 32.500 -0.023 0.000 0.984 250 K HN 0.037 nan 8.250 nan 0.000 0.473 251 T N 2.383 116.983 114.554 0.076 0.000 2.964 251 T HA 0.008 4.361 4.350 0.005 0.000 0.249 251 T C -0.623 174.162 174.700 0.141 0.000 1.000 251 T CA 0.051 62.260 62.100 0.181 0.000 0.992 251 T CB -0.032 69.026 68.868 0.318 0.000 1.087 251 T HN 0.824 nan 8.240 nan 0.000 0.489 252 D N 1.492 121.925 120.400 0.054 0.000 2.384 252 D HA 0.311 4.954 4.640 0.005 0.000 0.244 252 D C 0.069 176.335 176.300 -0.056 0.000 1.251 252 D CA -0.688 53.335 54.000 0.038 0.000 0.961 252 D CB 0.169 40.991 40.800 0.035 0.000 1.116 252 D HN -0.076 nan 8.370 nan 0.000 0.484 253 V N 0.643 120.562 119.914 0.008 0.000 2.790 253 V HA 0.210 4.333 4.120 0.005 0.000 0.304 253 V C 1.859 177.866 176.094 -0.144 0.000 1.142 253 V CA 1.479 63.743 62.300 -0.059 0.000 1.282 253 V CB -0.324 31.500 31.823 0.002 0.000 0.877 253 V HN 1.033 nan 8.190 nan 0.000 0.504 254 G N 2.751 111.413 108.800 -0.230 0.000 2.253 254 G HA2 -0.118 3.845 3.960 0.005 0.000 0.251 254 G HA3 -0.118 3.845 3.960 0.005 0.000 0.251 254 G C 0.575 175.335 174.900 -0.233 0.000 0.998 254 G CA 0.048 45.024 45.100 -0.207 0.000 0.621 254 G HN 1.994 nan 8.290 nan 0.000 0.524 255 A N 1.371 124.028 122.820 -0.270 0.000 2.609 255 A HA 0.455 4.778 4.320 0.005 0.000 0.232 255 A C -1.267 176.153 177.584 -0.274 0.000 1.041 255 A CA 0.725 52.610 52.037 -0.253 0.000 0.753 255 A CB -0.122 18.702 19.000 -0.293 0.000 0.966 255 A HN 0.311 nan 8.150 nan 0.000 0.510 256 P HA 0.308 nan 4.420 nan 0.000 0.271 256 P C -0.727 176.472 177.300 -0.169 0.000 1.216 256 P CA -0.074 62.934 63.100 -0.152 0.000 0.776 256 P CB 0.871 32.517 31.700 -0.089 0.000 0.881 257 V N 2.320 122.138 119.914 -0.160 0.000 2.555 257 V HA 0.274 4.397 4.120 0.005 0.000 0.302 257 V C 1.076 177.153 176.094 -0.029 0.000 1.038 257 V CA 0.140 62.366 62.300 -0.123 0.000 0.887 257 V CB 1.787 33.480 31.823 -0.217 0.000 0.991 257 V HN 0.615 nan 8.190 nan 0.000 0.434 258 S N 2.983 118.696 115.700 0.023 0.000 2.524 258 S HA 0.527 5.000 4.470 0.005 0.000 0.215 258 S C 0.451 175.092 174.600 0.069 0.000 0.986 258 S CA 0.588 58.812 58.200 0.040 0.000 0.911 258 S CB 0.014 63.239 63.200 0.042 0.000 0.805 258 S HN 1.683 nan 8.310 nan 0.000 0.501 259 G N 0.596 109.461 108.800 0.108 0.000 2.368 259 G HA2 0.292 4.255 3.960 0.005 0.000 0.302 259 G HA3 0.292 4.255 3.960 0.005 0.000 0.302 259 G C -3.438 171.560 174.900 0.163 0.000 1.329 259 G CA -0.835 44.339 45.100 0.124 0.000 0.935 259 G HN 0.135 nan 8.290 nan 0.000 0.590 260 P HA 0.369 nan 4.420 nan 0.000 0.273 260 P C 0.759 178.071 177.300 0.020 0.000 1.252 260 P CA 0.744 63.846 63.100 0.003 0.000 0.809 260 P CB 0.339 32.033 31.700 -0.010 0.000 1.017 261 G N -0.902 107.865 108.800 -0.054 0.000 2.437 261 G HA2 0.407 4.370 3.960 0.005 0.000 0.319 261 G HA3 0.407 4.370 3.960 0.005 0.000 0.319 261 G C -0.582 174.321 174.900 0.004 0.000 1.158 261 G CA -0.499 44.599 45.100 -0.005 0.000 0.899 261 G HN 0.366 nan 8.290 nan 0.000 0.502 262 V N 2.400 122.337 119.914 0.038 0.000 2.788 262 V HA 0.046 4.169 4.120 0.005 0.000 0.307 262 V C -1.428 174.678 176.094 0.020 0.000 1.069 262 V CA -0.438 61.886 62.300 0.040 0.000 1.173 262 V CB 1.091 32.952 31.823 0.065 0.000 0.925 262 V HN 0.575 nan 8.190 nan 0.000 0.492 263 P HA 0.172 nan 4.420 nan 0.000 0.269 263 P C 0.066 177.377 177.300 0.019 0.000 1.215 263 P CA 0.174 63.283 63.100 0.014 0.000 0.780 263 P CB 0.415 32.128 31.700 0.022 0.000 0.898 264 G N 1.224 110.034 108.800 0.015 0.000 2.503 264 G HA2 0.067 4.030 3.960 0.005 0.000 0.257 264 G HA3 0.067 4.030 3.960 0.005 0.000 0.257 264 G C 0.836 175.756 174.900 0.033 0.000 1.214 264 G CA -0.454 44.665 45.100 0.031 0.000 0.839 264 G HN 0.461 nan 8.290 nan 0.000 0.559 265 R N 0.750 121.252 120.500 0.005 0.000 2.159 265 R HA -0.077 4.266 4.340 0.005 0.000 0.237 265 R C 1.297 177.433 176.300 -0.273 0.000 1.131 265 R CA 1.612 57.606 56.100 -0.177 0.000 0.982 265 R CB -0.126 29.980 30.300 -0.324 0.000 0.868 265 R HN 0.625 nan 8.270 nan 0.000 0.453 266 F N -1.944 118.075 119.950 0.115 0.000 2.553 266 F HA 0.078 4.608 4.527 0.005 0.000 0.282 266 F C 2.396 178.278 175.800 0.137 0.000 1.089 266 F CA 0.765 58.864 58.000 0.164 0.000 1.411 266 F CB -0.017 39.158 39.000 0.292 0.000 1.125 266 F HN 0.011 nan 8.300 nan 0.000 0.610 267 T N -2.505 112.201 114.554 0.253 0.000 3.054 267 T HA 0.020 4.373 4.350 0.005 0.000 0.259 267 T C 0.805 175.583 174.700 0.130 0.000 1.092 267 T CA -0.030 62.171 62.100 0.168 0.000 1.121 267 T CB -0.504 68.408 68.868 0.072 0.000 0.912 267 T HN 0.114 nan 8.240 nan 0.000 0.489 268 K N 1.656 122.115 120.400 0.098 0.000 3.540 268 K HA -0.198 4.125 4.320 0.005 0.000 0.274 268 K C -0.300 176.334 176.600 0.056 0.000 0.890 268 K CA 0.616 56.944 56.287 0.068 0.000 0.701 268 K CB -1.334 31.212 32.500 0.076 0.000 1.523 268 K HN 0.717 nan 8.250 nan 0.000 0.450 269 E N 1.288 121.513 120.200 0.041 0.000 2.287 269 E HA 0.149 4.502 4.350 0.005 0.000 0.274 269 E C -1.032 175.574 176.600 0.011 0.000 0.896 269 E CA -0.929 55.489 56.400 0.029 0.000 0.788 269 E CB 1.177 30.896 29.700 0.031 0.000 1.244 269 E HN 0.154 nan 8.360 nan 0.000 0.408 270 K N 1.574 121.982 120.400 0.013 0.000 2.436 270 K HA 0.341 4.664 4.320 0.005 0.000 0.275 270 K C 0.915 177.499 176.600 -0.027 0.000 0.999 270 K CA 0.545 56.832 56.287 -0.001 0.000 0.980 270 K CB 0.457 32.967 32.500 0.016 0.000 0.919 270 K HN 0.793 nan 8.250 nan 0.000 0.484 271 G N 1.217 109.970 108.800 -0.078 0.000 2.179 271 G HA2 -0.212 3.751 3.960 0.005 0.000 0.260 271 G HA3 -0.212 3.751 3.960 0.005 0.000 0.260 271 G C -0.026 174.782 174.900 -0.153 0.000 0.977 271 G CA -0.070 44.934 45.100 -0.160 0.000 0.641 271 G HN 0.470 nan 8.290 nan 0.000 0.533 272 I N 0.214 120.731 120.570 -0.088 0.000 2.769 272 I HA 0.681 4.854 4.170 0.005 0.000 0.298 272 I C -0.098 175.989 176.117 -0.051 0.000 1.128 272 I CA -0.917 60.356 61.300 -0.045 0.000 1.031 272 I CB 1.875 39.853 38.000 -0.038 0.000 1.235 272 I HN 0.028 nan 8.210 nan 0.000 0.423 273 L N 3.381 124.588 121.223 -0.027 0.000 2.482 273 L HA 0.631 4.974 4.340 0.005 0.000 0.263 273 L C 0.027 176.862 176.870 -0.058 0.000 0.957 273 L CA -0.681 54.104 54.840 -0.092 0.000 0.836 273 L CB 2.265 44.217 42.059 -0.179 0.000 1.324 273 L HN 0.718 nan 8.230 nan 0.000 0.406 274 A N 1.094 123.781 122.820 -0.223 0.000 2.313 274 A HA 0.153 4.476 4.320 0.005 0.000 0.261 274 A C 0.327 177.784 177.584 -0.211 0.000 1.090 274 A CA 0.125 51.985 52.037 -0.294 0.000 0.807 274 A CB 0.135 18.585 19.000 -0.916 0.000 1.055 274 A HN 0.762 nan 8.150 nan 0.000 0.492 275 Y N 1.046 121.256 120.300 -0.150 0.000 2.274 275 Y HA -0.270 4.284 4.550 0.006 0.000 0.290 275 Y C 1.907 177.749 175.900 -0.096 0.000 1.145 275 Y CA 2.534 60.600 58.100 -0.057 0.000 1.203 275 Y CB -0.616 37.885 38.460 0.067 0.000 0.984 275 Y HN 0.800 nan 8.280 nan 0.000 0.533 276 Y N -1.200 118.973 120.300 -0.212 0.000 2.509 276 Y HA 0.080 4.633 4.550 0.005 0.000 0.293 276 Y C 1.694 177.307 175.900 -0.478 0.000 1.133 276 Y CA 0.947 58.757 58.100 -0.484 0.000 1.283 276 Y CB -0.957 37.027 38.460 -0.793 0.000 1.001 276 Y HN 0.150 nan 8.280 nan 0.000 0.555 277 E N 0.806 120.700 120.200 -0.509 0.000 2.170 277 E HA 0.001 4.354 4.350 0.005 0.000 0.191 277 E C 2.027 178.555 176.600 -0.119 0.000 0.981 277 E CA 0.837 57.107 56.400 -0.217 0.000 0.830 277 E CB -0.066 29.497 29.700 -0.229 0.000 0.775 277 E HN 0.528 nan 8.360 nan 0.000 0.470 278 I N 0.940 121.368 120.570 -0.237 0.000 2.286 278 I HA -0.297 3.876 4.170 0.005 0.000 0.248 278 I C 2.270 178.238 176.117 -0.249 0.000 1.115 278 I CA 0.617 61.763 61.300 -0.257 0.000 1.392 278 I CB -0.265 37.527 38.000 -0.348 0.000 1.065 278 I HN 0.237 nan 8.210 nan 0.000 0.418 279 c N 0.502 118.888 118.600 -0.357 0.000 2.413 279 c HA -0.198 4.375 4.570 0.005 0.000 0.277 279 c C 2.526 176.493 174.090 -0.205 0.000 1.265 279 c CA 1.395 57.523 56.329 -0.335 0.000 1.752 279 c CB -0.989 41.333 42.510 -0.312 0.000 1.998 279 c HN 0.561 nan 8.230 nan 0.000 0.489 280 D N -0.576 119.824 120.400 -0.001 0.000 2.194 280 D HA -0.101 4.542 4.640 0.005 0.000 0.204 280 D C 1.816 178.174 176.300 0.097 0.000 0.964 280 D CA 0.623 54.715 54.000 0.152 0.000 0.846 280 D CB -0.317 40.657 40.800 0.290 0.000 0.962 280 D HN 0.464 nan 8.370 nan 0.000 0.490 281 F N 0.428 120.320 119.950 -0.098 0.000 2.134 281 F HA -0.119 4.411 4.527 0.005 0.000 0.299 281 F C 1.781 177.491 175.800 -0.150 0.000 1.097 281 F CA 0.819 58.756 58.000 -0.106 0.000 1.264 281 F CB -0.166 38.742 39.000 -0.152 0.000 1.001 281 F HN -0.040 nan 8.300 nan 0.000 0.479 282 L N 0.567 121.733 121.223 -0.094 0.000 2.081 282 L HA -0.244 4.099 4.340 0.005 0.000 0.212 282 L C 0.892 177.599 176.870 -0.272 0.000 1.080 282 L CA 1.322 56.027 54.840 -0.226 0.000 0.754 282 L CB -1.765 40.131 42.059 -0.272 0.000 0.893 282 L HN 0.130 nan 8.230 nan 0.000 0.433 283 H N 0.381 119.369 119.070 -0.137 0.000 3.184 283 H HA 0.246 4.805 4.556 0.005 0.000 0.274 283 H C 1.501 176.724 175.328 -0.175 0.000 0.962 283 H CA 0.876 56.850 56.048 -0.122 0.000 1.441 283 H CB -0.259 29.456 29.762 -0.079 0.000 1.518 283 H HN 0.368 nan 8.280 nan 0.000 0.539 284 G N 2.017 110.795 108.800 -0.036 0.000 2.157 284 G HA2 -0.195 3.768 3.960 0.005 0.000 0.248 284 G HA3 -0.195 3.768 3.960 0.005 0.000 0.248 284 G C 0.403 175.203 174.900 -0.165 0.000 0.979 284 G CA 0.085 45.130 45.100 -0.091 0.000 0.650 284 G HN 0.913 nan 8.290 nan 0.000 0.529 285 A N -0.409 122.279 122.820 -0.219 0.000 2.281 285 A HA 0.868 5.191 4.320 0.005 0.000 0.329 285 A C 0.343 177.826 177.584 -0.168 0.000 1.122 285 A CA 0.442 52.330 52.037 -0.248 0.000 0.850 285 A CB 1.008 19.780 19.000 -0.379 0.000 1.207 285 A HN 0.706 nan 8.150 nan 0.000 0.495 286 T N 1.982 116.442 114.554 -0.156 0.000 2.744 286 T HA 0.516 4.869 4.350 0.005 0.000 0.291 286 T C 0.319 174.755 174.700 -0.441 0.000 0.957 286 T CA -0.025 61.929 62.100 -0.244 0.000 1.002 286 T CB 0.562 69.338 68.868 -0.154 0.000 0.919 286 T HN 0.862 nan 8.240 nan 0.000 0.468 287 T N 1.502 115.766 114.554 -0.484 0.000 2.902 287 T HA 0.608 4.961 4.350 0.005 0.000 0.283 287 T C -0.632 173.576 174.700 -0.820 0.000 1.009 287 T CA -0.862 60.939 62.100 -0.498 0.000 1.051 287 T CB 1.044 69.787 68.868 -0.207 0.000 0.999 287 T HN 0.578 nan 8.240 nan 0.000 0.474 288 H N 0.883 119.622 119.070 -0.552 0.000 2.941 288 H HA 0.699 5.258 4.556 0.004 0.000 0.344 288 H C -0.636 174.291 175.328 -0.668 0.000 1.235 288 H CA -0.965 54.658 56.048 -0.707 0.000 1.149 288 H CB 2.202 31.219 29.762 -1.242 0.000 1.885 288 H HN 0.688 nan 8.280 nan 0.000 0.558 289 R N 1.104 121.429 120.500 -0.293 0.000 2.515 289 R HA 0.236 4.579 4.340 0.005 0.000 0.278 289 R C -1.513 174.769 176.300 -0.029 0.000 1.107 289 R CA -0.622 55.367 56.100 -0.186 0.000 0.945 289 R CB 1.079 31.320 30.300 -0.098 0.000 1.219 289 R HN 0.225 nan 8.270 nan 0.000 0.434 290 F N 5.256 125.303 119.950 0.161 0.000 2.494 290 F HA 0.179 4.708 4.527 0.003 0.000 0.369 290 F C 1.836 177.669 175.800 0.054 0.000 1.098 290 F CA -0.237 57.838 58.000 0.126 0.000 1.154 290 F CB 0.748 39.806 39.000 0.096 0.000 1.103 290 F HN 0.420 nan 8.300 nan 0.000 0.549 291 R N 1.417 122.055 120.500 0.230 0.000 2.075 291 R HA -0.108 4.235 4.340 0.005 0.000 0.232 291 R C 0.952 177.325 176.300 0.123 0.000 1.126 291 R CA 1.341 57.522 56.100 0.134 0.000 0.963 291 R CB -0.372 29.982 30.300 0.091 0.000 0.858 291 R HN 0.450 nan 8.270 nan 0.000 0.435 292 D N 1.666 122.135 120.400 0.115 0.000 2.078 292 D HA -0.142 4.501 4.640 0.005 0.000 0.193 292 D C 2.096 178.476 176.300 0.134 0.000 0.990 292 D CA 1.399 55.443 54.000 0.073 0.000 0.827 292 D CB -0.218 40.595 40.800 0.021 0.000 0.975 292 D HN 0.355 nan 8.370 nan 0.000 0.451 293 Q N -0.077 119.780 119.800 0.096 0.000 2.297 293 Q HA -0.010 4.333 4.340 0.005 0.000 0.204 293 Q C 0.034 176.064 176.000 0.049 0.000 0.962 293 Q CA 0.257 56.086 55.803 0.043 0.000 0.879 293 Q CB 0.084 28.759 28.738 -0.106 0.000 0.947 293 Q HN 0.297 nan 8.270 nan 0.000 0.462 294 Q N -0.641 119.225 119.800 0.111 0.000 2.470 294 Q HA -0.137 4.206 4.340 0.005 0.000 0.294 294 Q C -1.154 174.819 176.000 -0.045 0.000 1.356 294 Q CA 0.460 56.299 55.803 0.061 0.000 0.805 294 Q CB -2.164 26.634 28.738 0.100 0.000 1.157 294 Q HN 0.295 nan 8.270 nan 0.000 0.431 295 V N -3.945 115.940 119.914 -0.048 0.000 3.049 295 V HA 0.887 5.010 4.120 0.005 0.000 0.309 295 V C -2.603 173.420 176.094 -0.119 0.000 1.148 295 V CA -2.149 60.028 62.300 -0.204 0.000 0.990 295 V CB 2.404 33.837 31.823 -0.650 0.000 1.039 295 V HN -0.012 nan 8.190 nan 0.000 0.430 296 P HA 0.648 nan 4.420 nan 0.000 0.285 296 P C -2.006 175.204 177.300 -0.150 0.000 1.285 296 P CA -0.465 62.451 63.100 -0.306 0.000 0.854 296 P CB 1.878 33.253 31.700 -0.543 0.000 1.180 297 Y N -2.388 117.796 120.300 -0.194 0.000 2.581 297 Y HA 0.807 5.360 4.550 0.004 0.000 0.337 297 Y C -1.939 173.898 175.900 -0.104 0.000 1.108 297 Y CA -1.398 56.577 58.100 -0.209 0.000 1.033 297 Y CB 0.688 38.789 38.460 -0.598 0.000 1.318 297 Y HN 0.642 nan 8.280 nan 0.000 0.459 298 A N 1.264 124.044 122.820 -0.067 0.000 2.469 298 A HA 0.945 5.268 4.320 0.005 0.000 0.299 298 A C -1.217 176.393 177.584 0.044 0.000 1.098 298 A CA -0.793 51.219 52.037 -0.042 0.000 0.737 298 A CB 1.720 20.771 19.000 0.085 0.000 1.312 298 A HN 0.882 nan 8.150 nan 0.000 0.414 299 T N 0.940 115.580 114.554 0.143 0.000 2.916 299 T HA 0.654 5.007 4.350 0.005 0.000 0.298 299 T C -0.856 173.937 174.700 0.154 0.000 1.031 299 T CA -0.682 61.575 62.100 0.262 0.000 0.993 299 T CB 1.574 70.655 68.868 0.356 0.000 1.045 299 T HN 0.664 nan 8.240 nan 0.000 0.454 300 K N 1.647 122.156 120.400 0.182 0.000 2.581 300 K HA 0.528 4.851 4.320 0.005 0.000 0.249 300 K C 0.714 177.365 176.600 0.086 0.000 0.966 300 K CA 0.080 56.350 56.287 -0.028 0.000 0.811 300 K CB 1.341 33.575 32.500 -0.445 0.000 1.223 300 K HN 0.931 nan 8.250 nan 0.000 0.438 301 G N 3.837 112.675 108.800 0.065 0.000 2.591 301 G HA2 -0.397 3.566 3.960 0.005 0.000 0.298 301 G HA3 -0.397 3.566 3.960 0.005 0.000 0.298 301 G C 0.137 175.120 174.900 0.137 0.000 1.195 301 G CA 0.687 45.839 45.100 0.087 0.000 0.989 301 G HN 0.832 nan 8.290 nan 0.000 0.551 302 N N 0.950 119.739 118.700 0.148 0.000 2.238 302 N HA 0.190 4.933 4.740 0.005 0.000 0.222 302 N C 0.142 175.788 175.510 0.227 0.000 1.133 302 N CA 0.327 53.477 53.050 0.166 0.000 0.854 302 N CB 0.534 39.094 38.487 0.123 0.000 1.041 302 N HN 0.540 nan 8.380 nan 0.000 0.510 303 Q N 0.415 120.384 119.800 0.281 0.000 2.271 303 Q HA 0.256 4.599 4.340 0.005 0.000 0.258 303 Q C -1.458 174.820 176.000 0.462 0.000 0.936 303 Q CA -0.208 55.806 55.803 0.352 0.000 0.909 303 Q CB 1.633 30.616 28.738 0.409 0.000 1.253 303 Q HN 0.422 nan 8.270 nan 0.000 0.440 304 W N 3.239 124.680 121.300 0.235 0.000 2.600 304 W HA 0.541 5.204 4.660 0.004 0.000 0.325 304 W C -1.310 175.330 176.519 0.201 0.000 1.034 304 W CA -0.561 56.944 57.345 0.267 0.000 1.226 304 W CB 1.218 30.834 29.460 0.260 0.000 1.379 304 W HN 0.260 nan 8.180 nan 0.000 0.466 305 V N 5.729 125.479 119.914 -0.274 0.000 2.444 305 V HA 0.674 4.797 4.120 0.005 0.000 0.294 305 V C -0.024 175.874 176.094 -0.327 0.000 1.022 305 V CA -1.018 61.100 62.300 -0.303 0.000 0.850 305 V CB 1.138 32.634 31.823 -0.546 0.000 0.992 305 V HN 0.662 nan 8.190 nan 0.000 0.426 306 A N 5.844 128.588 122.820 -0.126 0.000 2.252 306 A HA 0.846 5.169 4.320 0.005 0.000 0.309 306 A C -0.739 176.878 177.584 0.055 0.000 1.285 306 A CA -0.251 51.719 52.037 -0.112 0.000 0.900 306 A CB 0.205 19.191 19.000 -0.024 0.000 1.157 306 A HN 1.121 nan 8.150 nan 0.000 0.536 307 Y N -0.101 120.184 120.300 -0.026 0.000 2.889 307 Y HA 0.781 5.335 4.550 0.007 0.000 0.317 307 Y C -1.160 174.847 175.900 0.177 0.000 1.414 307 Y CA -1.758 56.386 58.100 0.074 0.000 1.091 307 Y CB 0.938 39.423 38.460 0.041 0.000 1.358 307 Y HN 0.432 nan 8.280 nan 0.000 0.487 308 D N 1.008 121.448 120.400 0.066 0.000 2.787 308 D HA 0.287 4.930 4.640 0.005 0.000 0.246 308 D C -1.660 174.624 176.300 -0.026 0.000 1.150 308 D CA -0.281 53.660 54.000 -0.099 0.000 0.864 308 D CB 2.398 43.154 40.800 -0.074 0.000 1.481 308 D HN 0.705 nan 8.370 nan 0.000 0.509 309 D N -0.197 120.154 120.400 -0.082 0.000 2.467 309 D HA 0.121 4.764 4.640 0.005 0.000 0.245 309 D C 1.024 177.302 176.300 -0.037 0.000 1.038 309 D CA -0.517 53.508 54.000 0.042 0.000 1.038 309 D CB 0.856 41.782 40.800 0.210 0.000 1.278 309 D HN 0.109 nan 8.370 nan 0.000 0.564 310 Q N -0.662 119.144 119.800 0.011 0.000 2.197 310 Q HA -0.300 4.043 4.340 0.005 0.000 0.211 310 Q C 1.521 177.523 176.000 0.003 0.000 0.993 310 Q CA 2.245 58.053 55.803 0.008 0.000 0.883 310 Q CB -0.104 28.668 28.738 0.056 0.000 0.916 310 Q HN 0.715 nan 8.270 nan 0.000 0.418 311 E N 0.473 120.677 120.200 0.007 0.000 2.028 311 E HA -0.174 4.179 4.350 0.005 0.000 0.190 311 E C 2.065 178.651 176.600 -0.022 0.000 0.984 311 E CA 1.672 58.071 56.400 -0.001 0.000 0.800 311 E CB -0.156 29.544 29.700 0.001 0.000 0.758 311 E HN 0.290 nan 8.360 nan 0.000 0.448 312 S N -0.184 115.484 115.700 -0.053 0.000 2.370 312 S HA -0.152 4.321 4.470 0.005 0.000 0.226 312 S C 2.167 176.730 174.600 -0.060 0.000 1.033 312 S CA 1.353 59.508 58.200 -0.075 0.000 1.011 312 S CB -0.742 62.382 63.200 -0.128 0.000 0.852 312 S HN 0.174 nan 8.310 nan 0.000 0.457 313 V N 2.260 122.141 119.914 -0.055 0.000 2.407 313 V HA -0.134 3.989 4.120 0.005 0.000 0.248 313 V C 2.691 178.775 176.094 -0.017 0.000 1.055 313 V CA 2.050 64.327 62.300 -0.039 0.000 1.049 313 V CB -0.641 31.152 31.823 -0.049 0.000 0.662 313 V HN 0.544 nan 8.190 nan 0.000 0.455 314 K N -0.116 120.278 120.400 -0.010 0.000 2.097 314 K HA -0.149 4.174 4.320 0.005 0.000 0.205 314 K C 2.116 178.721 176.600 0.008 0.000 1.050 314 K CA 1.302 57.589 56.287 0.000 0.000 0.938 314 K CB -0.328 32.176 32.500 0.007 0.000 0.718 314 K HN 0.459 nan 8.250 nan 0.000 0.442 315 N N 1.450 120.155 118.700 0.008 0.000 2.120 315 N HA -0.170 4.573 4.740 0.005 0.000 0.188 315 N C 1.450 176.980 175.510 0.034 0.000 1.024 315 N CA 1.289 54.355 53.050 0.027 0.000 0.852 315 N CB 0.155 38.650 38.487 0.013 0.000 1.003 315 N HN 0.163 nan 8.380 nan 0.000 0.424 316 K N 0.295 120.691 120.400 -0.006 0.000 2.155 316 K HA 0.015 4.338 4.320 0.005 0.000 0.203 316 K C 2.028 178.669 176.600 0.069 0.000 1.052 316 K CA 0.861 57.147 56.287 -0.003 0.000 0.948 316 K CB 0.006 32.483 32.500 -0.039 0.000 0.728 316 K HN 0.164 nan 8.250 nan 0.000 0.448 317 A N 1.548 124.385 122.820 0.029 0.000 1.897 317 A HA -0.126 4.197 4.320 0.005 0.000 0.215 317 A C 1.998 179.570 177.584 -0.021 0.000 1.181 317 A CA 1.058 53.092 52.037 -0.006 0.000 0.620 317 A CB -0.261 18.720 19.000 -0.032 0.000 0.821 317 A HN 0.168 nan 8.150 nan 0.000 0.443 318 R N -2.133 118.376 120.500 0.015 0.000 2.092 318 R HA -0.136 4.207 4.340 0.005 0.000 0.231 318 R C 2.122 178.452 176.300 0.049 0.000 1.119 318 R CA 1.579 57.688 56.100 0.015 0.000 0.970 318 R CB -0.533 29.794 30.300 0.046 0.000 0.864 318 R HN 0.694 nan 8.270 nan 0.000 0.440 319 Y N 2.660 122.953 120.300 -0.012 0.000 2.097 319 Y HA -0.243 4.309 4.550 0.003 0.000 0.282 319 Y C 2.180 178.083 175.900 0.004 0.000 1.152 319 Y CA 1.740 59.844 58.100 0.008 0.000 1.136 319 Y CB -0.283 38.156 38.460 -0.035 0.000 0.975 319 Y HN -0.003 nan 8.280 nan 0.000 0.498 320 L N -0.359 120.906 121.223 0.071 0.000 2.191 320 L HA -0.141 4.202 4.340 0.005 0.000 0.212 320 L C 1.812 178.642 176.870 -0.066 0.000 1.103 320 L CA 1.912 56.743 54.840 -0.015 0.000 0.769 320 L CB -1.213 40.893 42.059 0.079 0.000 0.908 320 L HN 0.273 nan 8.230 nan 0.000 0.438 321 K N 0.569 120.907 120.400 -0.102 0.000 2.057 321 K HA -0.107 4.216 4.320 0.005 0.000 0.206 321 K C 1.893 178.484 176.600 -0.015 0.000 1.050 321 K CA 1.399 57.636 56.287 -0.084 0.000 0.935 321 K CB -0.127 32.262 32.500 -0.185 0.000 0.715 321 K HN 0.415 nan 8.250 nan 0.000 0.439 322 N N 0.853 119.505 118.700 -0.080 0.000 2.309 322 N HA -0.111 4.632 4.740 0.005 0.000 0.182 322 N C 1.352 176.787 175.510 -0.125 0.000 1.018 322 N CA 0.954 53.953 53.050 -0.085 0.000 0.876 322 N CB 0.014 38.444 38.487 -0.094 0.000 0.972 322 N HN 0.162 nan 8.380 nan 0.000 0.434 323 R N 0.552 120.927 120.500 -0.208 0.000 2.317 323 R HA 0.167 4.510 4.340 0.005 0.000 0.208 323 R C -0.144 176.118 176.300 -0.063 0.000 0.914 323 R CA 0.015 56.005 56.100 -0.182 0.000 1.060 323 R CB 0.265 30.374 30.300 -0.320 0.000 1.015 323 R HN 0.215 nan 8.270 nan 0.000 0.498 324 Q N 0.567 120.366 119.800 -0.002 0.000 2.481 324 Q HA -0.171 4.172 4.340 0.005 0.000 0.283 324 Q C -0.764 175.281 176.000 0.075 0.000 1.292 324 Q CA 0.370 56.211 55.803 0.063 0.000 0.819 324 Q CB -1.636 27.115 28.738 0.023 0.000 1.202 324 Q HN 0.359 nan 8.270 nan 0.000 0.446 325 L N -1.088 120.195 121.223 0.100 0.000 2.456 325 L HA 0.368 4.711 4.340 0.005 0.000 0.257 325 L C 1.647 178.613 176.870 0.160 0.000 1.162 325 L CA 0.441 55.341 54.840 0.101 0.000 0.808 325 L CB 0.253 42.366 42.059 0.090 0.000 1.136 325 L HN 0.273 nan 8.230 nan 0.000 0.466 326 A N 0.864 123.748 122.820 0.107 0.000 2.067 326 A HA 0.337 4.660 4.320 0.005 0.000 0.219 326 A C 0.927 178.607 177.584 0.159 0.000 1.158 326 A CA 1.289 53.378 52.037 0.086 0.000 0.661 326 A CB -0.408 18.613 19.000 0.035 0.000 0.801 326 A HN 0.995 nan 8.150 nan 0.000 0.452 327 G N -3.096 105.802 108.800 0.164 0.000 2.345 327 G HA2 0.566 4.529 3.960 0.005 0.000 0.285 327 G HA3 0.566 4.529 3.960 0.005 0.000 0.285 327 G C -0.824 174.123 174.900 0.079 0.000 1.297 327 G CA -0.183 45.003 45.100 0.143 0.000 0.875 327 G HN 1.170 nan 8.290 nan 0.000 0.506 328 A N -0.365 122.491 122.820 0.059 0.000 2.330 328 A HA 0.877 5.200 4.320 0.005 0.000 0.329 328 A C -0.134 177.511 177.584 0.102 0.000 1.135 328 A CA -0.495 51.591 52.037 0.081 0.000 0.817 328 A CB 1.744 20.783 19.000 0.064 0.000 1.269 328 A HN 1.547 nan 8.150 nan 0.000 0.469 329 M N 2.774 122.478 119.600 0.173 0.000 2.197 329 M HA 0.506 4.989 4.480 0.005 0.000 0.301 329 M C -2.098 174.395 176.300 0.321 0.000 0.987 329 M CA -0.447 55.011 55.300 0.264 0.000 0.921 329 M CB 1.195 34.008 32.600 0.355 0.000 1.569 329 M HN 0.360 nan 8.290 nan 0.000 0.431 330 V N 6.057 126.158 119.914 0.313 0.000 2.398 330 V HA 0.430 4.553 4.120 0.005 0.000 0.286 330 V C -0.941 175.389 176.094 0.392 0.000 1.026 330 V CA -0.497 61.980 62.300 0.295 0.000 0.868 330 V CB 1.715 33.643 31.823 0.175 0.000 0.982 330 V HN 0.853 nan 8.190 nan 0.000 0.443 331 W N 6.390 127.809 121.300 0.198 0.000 2.362 331 W HA 0.782 5.444 4.660 0.004 0.000 0.316 331 W C -0.624 175.977 176.519 0.136 0.000 1.024 331 W CA -0.624 56.797 57.345 0.126 0.000 1.270 331 W CB 1.623 31.083 29.460 0.000 0.000 1.273 331 W HN 0.658 nan 8.180 nan 0.000 0.424 332 A N 5.340 128.064 122.820 -0.160 0.000 2.556 332 A HA 0.453 4.776 4.320 0.005 0.000 0.294 332 A C 0.236 177.741 177.584 -0.132 0.000 1.091 332 A CA -0.667 51.104 52.037 -0.442 0.000 0.704 332 A CB 1.462 19.774 19.000 -1.147 0.000 1.300 332 A HN 0.645 nan 8.150 nan 0.000 0.406 333 L N -0.042 121.144 121.223 -0.062 0.000 2.189 333 L HA -0.196 4.147 4.340 0.005 0.000 0.214 333 L C 1.635 178.637 176.870 0.220 0.000 1.097 333 L CA 2.220 57.153 54.840 0.155 0.000 0.764 333 L CB -0.473 41.656 42.059 0.117 0.000 0.900 333 L HN 0.975 nan 8.230 nan 0.000 0.436 334 D N -1.255 119.104 120.400 -0.069 0.000 2.328 334 D HA -0.043 4.600 4.640 0.005 0.000 0.226 334 D C 1.633 177.964 176.300 0.052 0.000 1.066 334 D CA 0.385 54.253 54.000 -0.220 0.000 0.861 334 D CB 0.032 40.540 40.800 -0.486 0.000 0.912 334 D HN 0.300 nan 8.370 nan 0.000 0.521 335 L N -0.768 120.537 121.223 0.137 0.000 2.701 335 L HA 0.231 4.574 4.340 0.005 0.000 0.238 335 L C 0.739 177.817 176.870 0.348 0.000 1.106 335 L CA -0.272 54.694 54.840 0.210 0.000 0.898 335 L CB 0.301 42.423 42.059 0.105 0.000 1.188 335 L HN 0.051 nan 8.230 nan 0.000 0.508 336 D N 0.484 121.111 120.400 0.379 0.000 2.383 336 D HA -0.015 4.628 4.640 0.005 0.000 0.248 336 D C -0.355 176.185 176.300 0.400 0.000 1.170 336 D CA -0.146 54.096 54.000 0.404 0.000 0.977 336 D CB 1.207 42.258 40.800 0.418 0.000 1.120 336 D HN -0.158 nan 8.370 nan 0.000 0.481 337 D N 1.212 121.790 120.400 0.296 0.000 2.545 337 D HA -0.026 4.617 4.640 0.005 0.000 0.227 337 D C 1.036 177.156 176.300 -0.300 0.000 1.150 337 D CA -0.300 53.718 54.000 0.030 0.000 1.046 337 D CB -0.899 39.958 40.800 0.095 0.000 1.098 337 D HN 0.321 nan 8.370 nan 0.000 0.502 338 F N 0.995 120.635 119.950 -0.516 0.000 2.451 338 F HA 0.086 4.616 4.527 0.004 0.000 0.299 338 F C 1.710 177.126 175.800 -0.639 0.000 1.101 338 F CA 0.433 57.783 58.000 -1.084 0.000 1.436 338 F CB -0.243 38.344 39.000 -0.689 0.000 1.074 338 F HN 0.070 nan 8.300 nan 0.000 0.553 339 R N 0.392 120.362 120.500 -0.884 0.000 2.189 339 R HA 0.258 4.601 4.340 0.005 0.000 0.203 339 R C 1.542 177.655 176.300 -0.312 0.000 1.012 339 R CA 0.601 56.383 56.100 -0.530 0.000 1.015 339 R CB -0.245 29.701 30.300 -0.591 0.000 0.938 339 R HN 0.478 nan 8.270 nan 0.000 0.472 340 G N 1.389 110.020 108.800 -0.282 0.000 2.160 340 G HA2 -0.264 3.699 3.960 0.005 0.000 0.244 340 G HA3 -0.264 3.699 3.960 0.005 0.000 0.244 340 G C 0.508 175.342 174.900 -0.110 0.000 1.022 340 G CA 0.775 45.795 45.100 -0.133 0.000 0.741 340 G HN 0.455 nan 8.290 nan 0.000 0.508 341 T N -3.908 110.552 114.554 -0.156 0.000 3.200 341 T HA 0.587 4.940 4.350 0.005 0.000 0.284 341 T C 1.194 175.696 174.700 -0.330 0.000 1.009 341 T CA 0.345 62.304 62.100 -0.235 0.000 0.907 341 T CB -0.078 68.591 68.868 -0.332 0.000 1.120 341 T HN 0.178 nan 8.240 nan 0.000 0.534 342 F N 0.090 119.948 119.950 -0.152 0.000 2.711 342 F HA 0.357 4.887 4.527 0.005 0.000 0.296 342 F C 1.688 177.444 175.800 -0.072 0.000 1.096 342 F CA -0.545 57.396 58.000 -0.099 0.000 1.280 342 F CB 0.596 39.535 39.000 -0.102 0.000 1.060 342 F HN 0.271 nan 8.300 nan 0.000 0.608 343 c N 0.682 119.342 118.600 0.101 0.000 2.492 343 c HA 0.679 5.252 4.570 0.005 0.000 0.317 343 c C 1.528 175.641 174.090 0.038 0.000 1.347 343 c CA -0.008 56.335 56.329 0.023 0.000 1.759 343 c CB -1.240 41.264 42.510 -0.011 0.000 2.127 343 c HN 0.828 nan 8.230 nan 0.000 0.579 344 G N 1.662 110.486 108.800 0.040 0.000 3.127 344 G HA2 -0.246 3.717 3.960 0.005 0.000 0.280 344 G HA3 -0.246 3.717 3.960 0.005 0.000 0.280 344 G C 0.285 175.202 174.900 0.028 0.000 1.491 344 G CA 0.134 45.258 45.100 0.039 0.000 1.029 344 G HN 0.662 nan 8.290 nan 0.000 0.582 345 Q N 2.662 122.486 119.800 0.040 0.000 2.348 345 Q HA 0.063 4.406 4.340 0.005 0.000 0.280 345 Q C -0.044 175.975 176.000 0.032 0.000 1.239 345 Q CA 0.980 56.805 55.803 0.037 0.000 0.967 345 Q CB -1.253 27.514 28.738 0.048 0.000 1.307 345 Q HN 0.630 nan 8.270 nan 0.000 0.441 346 N N 3.807 122.515 118.700 0.014 0.000 2.206 346 N HA 0.014 4.757 4.740 0.005 0.000 0.283 346 N C -0.749 174.773 175.510 0.020 0.000 1.385 346 N CA 0.491 53.544 53.050 0.004 0.000 1.002 346 N CB -0.012 38.472 38.487 -0.006 0.000 1.423 346 N HN 0.615 nan 8.380 nan 0.000 0.488 347 L N 1.075 122.315 121.223 0.028 0.000 2.565 347 L HA 0.317 4.660 4.340 0.005 0.000 0.261 347 L C -0.577 176.323 176.870 0.050 0.000 0.932 347 L CA -0.612 54.261 54.840 0.055 0.000 0.878 347 L CB 2.146 44.252 42.059 0.078 0.000 1.333 347 L HN 0.300 nan 8.230 nan 0.000 0.409 348 T N 3.370 117.965 114.554 0.069 0.000 2.817 348 T HA 0.422 4.775 4.350 0.005 0.000 0.293 348 T C -0.108 174.705 174.700 0.190 0.000 0.964 348 T CA 0.358 62.473 62.100 0.024 0.000 1.085 348 T CB -0.115 68.809 68.868 0.094 0.000 0.921 348 T HN 0.430 nan 8.240 nan 0.000 0.502 349 F N 4.703 124.731 119.950 0.130 0.000 2.905 349 F HA -0.134 4.395 4.527 0.005 0.000 0.311 349 F C -1.267 174.606 175.800 0.121 0.000 1.005 349 F CA 0.207 58.292 58.000 0.143 0.000 1.029 349 F CB -1.512 37.560 39.000 0.121 0.000 1.151 349 F HN 0.547 nan 8.300 nan 0.000 0.805 350 P HA -0.223 nan 4.420 nan 0.000 0.214 350 P C 1.836 179.218 177.300 0.138 0.000 1.163 350 P CA 1.504 64.724 63.100 0.200 0.000 0.889 350 P CB 0.334 32.187 31.700 0.255 0.000 0.790 351 L N -0.164 121.107 121.223 0.081 0.000 1.994 351 L HA -0.097 4.246 4.340 0.005 0.000 0.208 351 L C 2.757 179.657 176.870 0.050 0.000 1.071 351 L CA 2.266 57.085 54.840 -0.035 0.000 0.745 351 L CB -2.069 39.870 42.059 -0.201 0.000 0.892 351 L HN -0.008 nan 8.230 nan 0.000 0.431 352 T N -1.249 113.380 114.554 0.125 0.000 2.759 352 T HA -0.157 4.196 4.350 0.005 0.000 0.269 352 T C 2.060 176.809 174.700 0.081 0.000 1.042 352 T CA 1.485 63.645 62.100 0.101 0.000 1.140 352 T CB -0.233 68.695 68.868 0.101 0.000 0.864 352 T HN 0.289 nan 8.240 nan 0.000 0.455 353 S N 1.614 117.386 115.700 0.119 0.000 2.356 353 S HA -0.048 4.425 4.470 0.005 0.000 0.223 353 S C 2.647 177.286 174.600 0.064 0.000 1.032 353 S CA 0.954 59.212 58.200 0.097 0.000 1.005 353 S CB -0.663 62.614 63.200 0.128 0.000 0.867 353 S HN 0.615 nan 8.310 nan 0.000 0.449 354 A N 1.320 124.175 122.820 0.059 0.000 1.917 354 A HA -0.097 4.226 4.320 0.005 0.000 0.219 354 A C 2.354 179.951 177.584 0.022 0.000 1.182 354 A CA 1.761 53.820 52.037 0.037 0.000 0.633 354 A CB -1.011 18.006 19.000 0.027 0.000 0.819 354 A HN 0.351 nan 8.150 nan 0.000 0.448 355 V N 0.163 120.090 119.914 0.022 0.000 2.295 355 V HA -0.268 3.855 4.120 0.005 0.000 0.246 355 V C 2.520 178.616 176.094 0.003 0.000 1.049 355 V CA 2.330 64.636 62.300 0.010 0.000 1.024 355 V CB -0.672 31.164 31.823 0.022 0.000 0.648 355 V HN 0.672 nan 8.190 nan 0.000 0.447 356 K N -0.250 120.162 120.400 0.019 0.000 2.152 356 K HA -0.238 4.085 4.320 0.005 0.000 0.206 356 K C 1.789 178.400 176.600 0.018 0.000 1.048 356 K CA 1.798 58.098 56.287 0.022 0.000 0.933 356 K CB -0.185 32.335 32.500 0.033 0.000 0.721 356 K HN 0.497 nan 8.250 nan 0.000 0.447 357 D N 0.102 120.513 120.400 0.019 0.000 2.103 357 D HA -0.121 4.522 4.640 0.005 0.000 0.199 357 D C 1.986 178.286 176.300 0.001 0.000 0.978 357 D CA 1.027 55.038 54.000 0.017 0.000 0.829 357 D CB -0.162 40.652 40.800 0.022 0.000 0.981 357 D HN 0.027 nan 8.370 nan 0.000 0.464 358 V N 1.169 121.075 119.914 -0.014 0.000 2.343 358 V HA -0.212 3.911 4.120 0.005 0.000 0.247 358 V C 2.467 178.512 176.094 -0.082 0.000 1.051 358 V CA 1.052 63.330 62.300 -0.038 0.000 1.036 358 V CB -0.355 31.442 31.823 -0.044 0.000 0.654 358 V HN 0.116 nan 8.190 nan 0.000 0.451 359 L N 0.373 121.533 121.223 -0.105 0.000 2.201 359 L HA -0.019 4.324 4.340 0.005 0.000 0.212 359 L C 2.478 179.340 176.870 -0.012 0.000 1.105 359 L CA 2.003 56.737 54.840 -0.177 0.000 0.775 359 L CB -1.174 40.810 42.059 -0.123 0.000 0.913 359 L HN 0.304 nan 8.230 nan 0.000 0.440 360 A N -1.611 121.220 122.820 0.020 0.000 2.067 360 A HA -0.070 4.253 4.320 0.005 0.000 0.217 360 A C 1.441 179.055 177.584 0.051 0.000 1.156 360 A CA 0.308 52.377 52.037 0.054 0.000 0.683 360 A CB -0.309 18.715 19.000 0.040 0.000 0.808 360 A HN 0.394 nan 8.150 nan 0.000 0.455 361 E N -0.553 119.663 120.200 0.027 0.000 2.766 361 E HA 0.275 4.628 4.350 0.005 0.000 0.261 361 E C -0.047 176.584 176.600 0.053 0.000 1.427 361 E CA -0.310 56.106 56.400 0.027 0.000 1.085 361 E CB 0.393 30.097 29.700 0.007 0.000 1.074 361 E HN 0.149 nan 8.360 nan 0.000 0.651 362 V N 0.000 119.944 119.914 0.049 0.000 2.409 362 V HA 0.000 4.123 4.120 0.005 0.000 0.244 362 V CA 0.000 62.343 62.300 0.072 0.000 1.235 362 V CB 0.000 31.853 31.823 0.050 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556