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 2wpn_1_B DATA FIRST_RESID 15 DATA SEQUENCE GRTTIAIDPV TRIEGHLKAE VVVENGKVVD ARLSGGMYRG FETILRGRDP DATA SEQUENCE RDASQIVQRI XGVCPTAHST ASVLALDEAF GAKVPNNGRI TRNLIFGANY DATA SEQUENCE LQSHILHFYH LSAQDFVQGP DTAPFVPRFP KSDLRLSKEL NKAGVDQYIE DATA SEQUENCE ALEVRRICHE MVALFGGRMP HVQGQVVGGA TEIPTKEKLV EYAARFKKVR DATA SEQUENCE DFVEQKYVPV VYTIGSKYKD MFKVGQGFKA ALCVGAFPLD NSGKKHLFMP DATA SEQUENCE GVYAKGKDMP FDPSKIKEYV KYSWFAEETT GLNYKEGKTI PAPDKAGAYS DATA SEQUENCE FVKAPRYDGL SLEVGPLARM WVNNPELSPV GKKLLKDLFG ISAKKFRDLG DATA SEQUENCE EEAAFSLMGR HVARAEETYY MLGAIEGWLK EIKAGEDTVV MPAVPASAEG DATA SEQUENCE TGFTEAPRGS LLHYVKVKDS KIDNYQIVSA SLWNCNPRDD MGQRGAVEEA DATA SEQUENCE LIGIPVDDIQ NPVNVARLIR AFDPXLGCAV H 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 4.040 3.960 0.134 0.000 0.244 15 G C 0.000 174.894 174.900 -0.010 0.000 0.946 15 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 16 R N 1.095 121.589 120.500 -0.011 0.000 2.393 16 R HA 0.648 5.068 4.340 0.134 0.000 0.310 16 R C -1.209 175.083 176.300 -0.013 0.000 0.968 16 R CA -0.187 55.905 56.100 -0.014 0.000 0.867 16 R CB 1.855 32.145 30.300 -0.016 0.000 1.124 16 R HN 0.274 nan 8.270 nan 0.000 0.450 17 T N 1.747 116.292 114.554 -0.014 0.000 2.792 17 T HA 0.256 4.686 4.350 0.134 0.000 0.280 17 T C -0.176 174.515 174.700 -0.015 0.000 0.990 17 T CA -0.557 61.536 62.100 -0.012 0.000 0.960 17 T CB 1.778 70.640 68.868 -0.010 0.000 0.939 17 T HN 0.367 nan 8.240 nan 0.000 0.439 18 T N 4.102 118.648 114.554 -0.013 0.000 2.806 18 T HA 0.569 4.999 4.350 0.134 0.000 0.290 18 T C 0.031 174.728 174.700 -0.006 0.000 0.966 18 T CA -0.392 61.698 62.100 -0.016 0.000 1.060 18 T CB 0.154 69.010 68.868 -0.020 0.000 0.927 18 T HN 0.421 nan 8.240 nan 0.000 0.485 19 I N 2.348 122.915 120.570 -0.005 0.000 2.447 19 I HA 0.597 4.847 4.170 0.134 0.000 0.287 19 I C -0.150 175.976 176.117 0.014 0.000 1.023 19 I CA -1.117 60.189 61.300 0.011 0.000 1.083 19 I CB 1.736 39.743 38.000 0.011 0.000 1.245 19 I HN 0.621 nan 8.210 nan 0.000 0.434 20 A N 7.775 130.611 122.820 0.027 0.000 2.303 20 A HA 0.870 5.270 4.320 0.134 0.000 0.320 20 A C -0.674 176.944 177.584 0.056 0.000 1.192 20 A CA -0.427 51.630 52.037 0.034 0.000 0.821 20 A CB 0.680 19.699 19.000 0.031 0.000 1.188 20 A HN 0.699 nan 8.150 nan 0.000 0.492 21 I N 2.460 123.068 120.570 0.065 0.000 2.411 21 I HA 0.377 4.627 4.170 0.134 0.000 0.284 21 I C -1.152 175.014 176.117 0.081 0.000 1.012 21 I CA -0.254 61.095 61.300 0.081 0.000 1.119 21 I CB 1.818 39.874 38.000 0.093 0.000 1.261 21 I HN 0.554 nan 8.210 nan 0.000 0.448 22 D N 8.203 128.651 120.400 0.080 0.000 2.616 22 D HA 0.380 5.100 4.640 0.134 0.000 0.238 22 D C -2.479 173.869 176.300 0.081 0.000 1.354 22 D CA -1.012 53.043 54.000 0.091 0.000 0.970 22 D CB 2.272 43.130 40.800 0.096 0.000 1.369 22 D HN 0.263 nan 8.370 nan 0.000 0.585 23 P HA 0.307 nan 4.420 nan 0.000 0.285 23 P C -0.415 176.933 177.300 0.079 0.000 1.259 23 P CA -0.547 62.611 63.100 0.097 0.000 0.794 23 P CB 1.213 32.968 31.700 0.092 0.000 0.940 24 V N 3.507 123.475 119.914 0.089 0.000 2.521 24 V HA 0.130 4.330 4.120 0.134 0.000 0.286 24 V C 1.300 177.434 176.094 0.066 0.000 1.034 24 V CA 0.224 62.572 62.300 0.081 0.000 1.045 24 V CB 0.306 32.183 31.823 0.089 0.000 0.974 24 V HN 0.889 nan 8.190 nan 0.000 0.480 25 T N 2.358 116.945 114.554 0.055 0.000 2.936 25 T HA 0.591 5.021 4.350 0.134 0.000 0.282 25 T C 0.424 175.153 174.700 0.049 0.000 1.003 25 T CA -0.840 61.283 62.100 0.039 0.000 1.005 25 T CB 0.949 69.829 68.868 0.020 0.000 1.097 25 T HN 0.620 nan 8.240 nan 0.000 0.532 26 R N -0.185 120.343 120.500 0.046 0.000 3.531 26 R HA -0.135 4.286 4.340 0.134 0.000 0.280 26 R C -0.090 176.266 176.300 0.093 0.000 1.130 26 R CA 0.902 57.038 56.100 0.061 0.000 0.757 26 R CB -2.210 28.116 30.300 0.043 0.000 1.218 26 R HN 0.827 nan 8.270 nan 0.000 0.454 27 I N -4.596 116.030 120.570 0.093 0.000 3.264 27 I HA 0.560 4.810 4.170 0.134 0.000 0.315 27 I C -0.162 176.006 176.117 0.086 0.000 1.154 27 I CA -1.208 60.165 61.300 0.121 0.000 0.962 27 I CB 1.943 40.013 38.000 0.117 0.000 1.265 27 I HN -0.215 nan 8.210 nan 0.000 0.463 28 E N 1.694 121.949 120.200 0.091 0.000 2.249 28 E HA 0.578 5.008 4.350 0.134 0.000 0.280 28 E C 0.076 176.692 176.600 0.027 0.000 1.016 28 E CA 0.818 57.252 56.400 0.057 0.000 0.830 28 E CB 1.283 31.031 29.700 0.080 0.000 1.081 28 E HN 1.059 nan 8.360 nan 0.000 0.395 29 G N 3.875 112.641 108.800 -0.057 0.000 2.698 29 G HA2 -0.183 3.857 3.960 0.134 0.000 0.225 29 G HA3 -0.183 3.857 3.960 0.134 0.000 0.225 29 G C -0.887 173.900 174.900 -0.189 0.000 1.345 29 G CA -0.509 44.513 45.100 -0.129 0.000 0.871 29 G HN 0.711 nan 8.290 nan 0.000 0.540 30 H N -0.439 118.706 119.070 0.124 0.000 2.641 30 H HA 0.576 5.209 4.556 0.128 0.000 0.295 30 H C -0.289 175.131 175.328 0.152 0.000 1.070 30 H CA -0.185 55.943 56.048 0.132 0.000 1.257 30 H CB 1.315 31.164 29.762 0.145 0.000 1.393 30 H HN 0.543 nan 8.280 nan 0.000 0.464 31 L N 3.412 124.764 121.223 0.216 0.000 2.410 31 L HA 0.369 4.790 4.340 0.134 0.000 0.270 31 L C -0.608 176.359 176.870 0.162 0.000 0.983 31 L CA -0.615 54.335 54.840 0.182 0.000 0.822 31 L CB 1.943 44.085 42.059 0.139 0.000 1.285 31 L HN 0.451 nan 8.230 nan 0.000 0.409 32 K N 4.150 124.646 120.400 0.160 0.000 2.221 32 K HA 0.903 5.303 4.320 0.134 0.000 0.258 32 K C -1.431 175.230 176.600 0.102 0.000 0.944 32 K CA -0.523 55.841 56.287 0.128 0.000 0.823 32 K CB 1.726 34.308 32.500 0.137 0.000 1.113 32 K HN 0.766 nan 8.250 nan 0.000 0.431 33 A N 3.494 126.360 122.820 0.076 0.000 2.318 33 A HA 0.381 4.782 4.320 0.134 0.000 0.324 33 A C -1.232 176.368 177.584 0.026 0.000 1.170 33 A CA -0.627 51.439 52.037 0.048 0.000 0.810 33 A CB 1.049 20.077 19.000 0.047 0.000 1.198 33 A HN 0.872 nan 8.150 nan 0.000 0.484 34 E N 1.774 121.968 120.200 -0.011 0.000 2.218 34 E HA 0.562 4.992 4.350 0.134 0.000 0.263 34 E C -1.235 175.333 176.600 -0.053 0.000 0.879 34 E CA -0.653 55.728 56.400 -0.032 0.000 0.762 34 E CB 1.711 31.375 29.700 -0.060 0.000 1.166 34 E HN 0.746 nan 8.360 nan 0.000 0.415 35 V N 1.097 120.989 119.914 -0.037 0.000 2.914 35 V HA 0.695 4.895 4.120 0.134 0.000 0.314 35 V C -0.621 175.449 176.094 -0.040 0.000 1.084 35 V CA -0.848 61.427 62.300 -0.042 0.000 0.963 35 V CB 1.697 33.504 31.823 -0.027 0.000 1.025 35 V HN 0.419 nan 8.190 nan 0.000 0.432 36 V N 3.487 123.374 119.914 -0.045 0.000 2.427 36 V HA 0.555 4.755 4.120 0.134 0.000 0.286 36 V C -0.059 176.016 176.094 -0.031 0.000 1.034 36 V CA -0.458 61.819 62.300 -0.038 0.000 0.893 36 V CB 1.494 33.291 31.823 -0.044 0.000 0.982 36 V HN 0.776 nan 8.190 nan 0.000 0.452 37 V N 4.481 124.379 119.914 -0.025 0.000 2.384 37 V HA 0.522 4.723 4.120 0.134 0.000 0.287 37 V C -0.209 175.874 176.094 -0.019 0.000 1.020 37 V CA -0.446 61.841 62.300 -0.022 0.000 0.850 37 V CB 1.547 33.358 31.823 -0.021 0.000 0.987 37 V HN 0.990 nan 8.190 nan 0.000 0.436 38 E N 3.496 123.685 120.200 -0.018 0.000 2.256 38 E HA 0.420 4.850 4.350 0.134 0.000 0.268 38 E C -0.100 176.492 176.600 -0.013 0.000 0.877 38 E CA -0.641 55.749 56.400 -0.015 0.000 0.757 38 E CB 1.057 30.748 29.700 -0.016 0.000 1.183 38 E HN 0.759 nan 8.360 nan 0.000 0.418 39 N N 3.111 121.804 118.700 -0.011 0.000 2.716 39 N HA -0.281 4.539 4.740 0.134 0.000 0.250 39 N C 0.488 175.993 175.510 -0.008 0.000 1.033 39 N CA 0.627 53.672 53.050 -0.008 0.000 0.727 39 N CB -0.872 37.611 38.487 -0.007 0.000 0.950 39 N HN 0.904 nan 8.380 nan 0.000 0.541 40 G N -1.657 107.136 108.800 -0.011 0.000 2.148 40 G HA2 -0.341 3.699 3.960 0.134 0.000 0.254 40 G HA3 -0.341 3.699 3.960 0.134 0.000 0.254 40 G C -0.181 174.713 174.900 -0.010 0.000 0.981 40 G CA 0.680 45.773 45.100 -0.010 0.000 0.670 40 G HN 0.362 nan 8.290 nan 0.000 0.528 41 K N -0.191 120.202 120.400 -0.011 0.000 2.426 41 K HA 0.612 5.012 4.320 0.134 0.000 0.251 41 K C 0.007 176.597 176.600 -0.016 0.000 0.941 41 K CA -0.897 55.383 56.287 -0.011 0.000 0.808 41 K CB 2.507 35.002 32.500 -0.009 0.000 1.265 41 K HN 0.113 nan 8.250 nan 0.000 0.432 42 V N 2.518 122.422 119.914 -0.017 0.000 2.521 42 V HA -0.000 4.200 4.120 0.134 0.000 0.286 42 V C 1.311 177.387 176.094 -0.029 0.000 1.034 42 V CA 0.034 62.320 62.300 -0.023 0.000 1.045 42 V CB 0.658 32.468 31.823 -0.022 0.000 0.974 42 V HN 0.681 nan 8.190 nan 0.000 0.480 43 V N 0.079 119.972 119.914 -0.034 0.000 3.556 43 V HA 0.510 4.710 4.120 0.134 0.000 0.287 43 V C 0.176 176.242 176.094 -0.048 0.000 1.422 43 V CA 0.295 62.572 62.300 -0.038 0.000 1.038 43 V CB 0.645 32.449 31.823 -0.031 0.000 0.850 43 V HN 0.763 nan 8.190 nan 0.000 0.437 44 D N -0.355 120.013 120.400 -0.053 0.000 2.622 44 D HA 0.802 5.522 4.640 0.134 0.000 0.255 44 D C -1.204 175.052 176.300 -0.073 0.000 1.246 44 D CA 0.544 54.503 54.000 -0.068 0.000 0.795 44 D CB 2.365 43.120 40.800 -0.075 0.000 1.369 44 D HN 0.533 nan 8.370 nan 0.000 0.425 45 A N 1.529 124.295 122.820 -0.089 0.000 2.589 45 A HA 0.842 5.242 4.320 0.134 0.000 0.296 45 A C -1.341 176.171 177.584 -0.119 0.000 1.062 45 A CA -0.648 51.337 52.037 -0.086 0.000 0.686 45 A CB 1.474 20.440 19.000 -0.058 0.000 1.282 45 A HN 0.406 nan 8.150 nan 0.000 0.404 46 R N 0.524 120.940 120.500 -0.140 0.000 2.538 46 R HA 0.599 5.019 4.340 0.134 0.000 0.292 46 R C -1.815 174.475 176.300 -0.017 0.000 1.008 46 R CA -0.653 55.328 56.100 -0.198 0.000 0.896 46 R CB 1.948 31.872 30.300 -0.627 0.000 1.187 46 R HN 0.498 nan 8.270 nan 0.000 0.440 47 L N 1.519 122.838 121.223 0.160 0.000 2.307 47 L HA 0.494 4.914 4.340 0.134 0.000 0.284 47 L C -0.515 176.495 176.870 0.234 0.000 1.023 47 L CA 0.019 54.952 54.840 0.154 0.000 0.810 47 L CB 2.121 44.239 42.059 0.099 0.000 1.231 47 L HN 0.566 nan 8.230 nan 0.000 0.423 48 S N 1.844 117.656 115.700 0.187 0.000 2.530 48 S HA 0.652 5.202 4.470 0.134 0.000 0.322 48 S C 0.173 174.890 174.600 0.196 0.000 1.085 48 S CA -0.723 57.581 58.200 0.174 0.000 1.096 48 S CB 1.466 64.795 63.200 0.214 0.000 0.988 48 S HN 0.779 nan 8.310 nan 0.000 0.466 49 G N 1.295 110.215 108.800 0.201 0.000 2.351 49 G HA2 0.459 4.499 3.960 0.134 0.000 0.287 49 G HA3 0.459 4.499 3.960 0.134 0.000 0.287 49 G C 0.746 175.928 174.900 0.470 0.000 1.159 49 G CA -0.642 44.641 45.100 0.305 0.000 0.929 49 G HN 0.816 nan 8.290 nan 0.000 0.435 50 G N 1.950 111.020 108.800 0.449 0.000 3.088 50 G HA2 0.269 4.309 3.960 0.134 0.000 0.217 50 G HA3 0.269 4.309 3.960 0.134 0.000 0.217 50 G C 0.449 175.619 174.900 0.450 0.000 1.159 50 G CA -0.133 45.258 45.100 0.486 0.000 0.760 50 G HN 0.508 nan 8.290 nan 0.000 0.550 51 M N 0.546 120.376 119.600 0.384 0.000 2.327 51 M HA 0.566 5.126 4.480 0.134 0.000 0.298 51 M C -2.364 173.946 176.300 0.017 0.000 1.065 51 M CA -1.076 54.285 55.300 0.102 0.000 0.916 51 M CB 2.382 35.001 32.600 0.032 0.000 1.630 51 M HN 0.061 nan 8.290 nan 0.000 0.442 52 Y N 4.349 124.369 120.300 -0.466 0.000 2.425 52 Y HA 0.543 5.172 4.550 0.131 0.000 0.344 52 Y C -0.079 175.667 175.900 -0.257 0.000 0.969 52 Y CA -0.287 57.515 58.100 -0.498 0.000 1.052 52 Y CB 1.903 39.630 38.460 -1.223 0.000 1.215 52 Y HN 0.869 nan 8.280 nan 0.000 0.451 53 R N 2.568 122.619 120.500 -0.747 0.000 2.243 53 R HA 0.336 4.756 4.340 0.134 0.000 0.193 53 R C 0.325 176.103 176.300 -0.870 0.000 0.933 53 R CA 0.335 56.081 56.100 -0.590 0.000 1.105 53 R CB 0.753 30.927 30.300 -0.209 0.000 1.169 53 R HN 0.999 nan 8.270 nan 0.000 0.599 54 G N 1.139 109.320 108.800 -1.031 0.000 2.325 54 G HA2 -0.223 3.817 3.960 0.134 0.000 0.248 54 G HA3 -0.223 3.817 3.960 0.134 0.000 0.248 54 G C 0.184 174.968 174.900 -0.194 0.000 1.108 54 G CA -0.246 44.489 45.100 -0.609 0.000 0.881 54 G HN 0.167 nan 8.290 nan 0.000 0.494 55 F N 0.379 120.217 119.950 -0.186 0.000 2.161 55 F HA -0.027 4.579 4.527 0.132 0.000 0.300 55 F C 2.502 178.249 175.800 -0.087 0.000 1.089 55 F CA 2.127 60.045 58.000 -0.137 0.000 1.282 55 F CB -0.099 38.810 39.000 -0.152 0.000 1.010 55 F HN 0.471 nan 8.300 nan 0.000 0.485 56 E N -0.831 119.487 120.200 0.197 0.000 2.204 56 E HA -0.183 4.247 4.350 0.134 0.000 0.195 56 E C 2.152 178.822 176.600 0.117 0.000 0.990 56 E CA 1.734 58.238 56.400 0.172 0.000 0.821 56 E CB -0.252 29.582 29.700 0.223 0.000 0.750 56 E HN 0.502 nan 8.360 nan 0.000 0.477 57 T N -1.851 112.753 114.554 0.082 0.000 3.039 57 T HA 0.107 4.537 4.350 0.134 0.000 0.250 57 T C 1.928 176.623 174.700 -0.008 0.000 1.052 57 T CA -0.056 62.077 62.100 0.056 0.000 1.125 57 T CB -0.145 68.773 68.868 0.083 0.000 0.908 57 T HN 0.018 nan 8.240 nan 0.000 0.473 58 I N 1.144 121.669 120.570 -0.075 0.000 2.286 58 I HA -0.040 4.210 4.170 0.134 0.000 0.248 58 I C 2.289 178.342 176.117 -0.107 0.000 1.115 58 I CA 1.167 62.383 61.300 -0.140 0.000 1.392 58 I CB -0.339 37.481 38.000 -0.299 0.000 1.065 58 I HN 0.199 nan 8.210 nan 0.000 0.418 59 L N 0.129 121.299 121.223 -0.088 0.000 2.275 59 L HA -0.091 4.329 4.340 0.134 0.000 0.215 59 L C 1.340 178.201 176.870 -0.016 0.000 1.119 59 L CA 0.485 55.274 54.840 -0.085 0.000 0.790 59 L CB -0.463 41.484 42.059 -0.186 0.000 0.919 59 L HN 0.122 nan 8.230 nan 0.000 0.443 60 R N 0.417 120.925 120.500 0.013 0.000 2.538 60 R HA 0.083 4.503 4.340 0.134 0.000 0.282 60 R C 1.152 177.461 176.300 0.016 0.000 1.009 60 R CA 0.955 57.076 56.100 0.034 0.000 1.063 60 R CB 0.118 30.442 30.300 0.039 0.000 0.945 60 R HN 0.357 nan 8.270 nan 0.000 0.414 61 G N 2.841 111.656 108.800 0.024 0.000 2.179 61 G HA2 -0.319 3.721 3.960 0.134 0.000 0.260 61 G HA3 -0.319 3.721 3.960 0.134 0.000 0.260 61 G C 0.196 175.101 174.900 0.009 0.000 0.977 61 G CA 0.147 45.255 45.100 0.014 0.000 0.641 61 G HN 0.548 nan 8.290 nan 0.000 0.533 62 R N 0.431 120.937 120.500 0.010 0.000 2.543 62 R HA 0.430 4.850 4.340 0.134 0.000 0.268 62 R C 0.031 176.348 176.300 0.029 0.000 1.067 62 R CA -0.529 55.575 56.100 0.007 0.000 1.142 62 R CB 0.520 30.814 30.300 -0.010 0.000 1.110 62 R HN 0.214 nan 8.270 nan 0.000 0.549 63 D N 1.859 122.277 120.400 0.031 0.000 2.531 63 D HA -0.029 4.691 4.640 0.134 0.000 0.239 63 D C -1.611 174.743 176.300 0.090 0.000 1.144 63 D CA -1.421 52.613 54.000 0.057 0.000 0.869 63 D CB 1.104 41.933 40.800 0.049 0.000 1.160 63 D HN 0.170 nan 8.370 nan 0.000 0.484 64 P HA -0.086 nan 4.420 nan 0.000 0.219 64 P C 1.055 178.446 177.300 0.152 0.000 1.146 64 P CA 1.072 64.293 63.100 0.203 0.000 0.808 64 P CB 0.168 32.074 31.700 0.343 0.000 0.779 65 R N -0.531 120.058 120.500 0.149 0.000 2.193 65 R HA -0.105 4.315 4.340 0.134 0.000 0.229 65 R C 1.461 177.762 176.300 0.002 0.000 1.110 65 R CA 1.115 57.231 56.100 0.027 0.000 0.988 65 R CB -0.739 29.584 30.300 0.040 0.000 0.871 65 R HN 0.228 nan 8.270 nan 0.000 0.458 66 D N 0.804 121.212 120.400 0.014 0.000 2.264 66 D HA -0.065 4.655 4.640 0.134 0.000 0.208 66 D C 1.792 178.067 176.300 -0.041 0.000 0.966 66 D CA 1.107 55.097 54.000 -0.016 0.000 0.864 66 D CB -0.127 40.663 40.800 -0.018 0.000 0.933 66 D HN 0.239 nan 8.370 nan 0.000 0.499 67 A N 1.011 123.807 122.820 -0.039 0.000 1.917 67 A HA -0.215 4.186 4.320 0.134 0.000 0.219 67 A C 2.270 179.816 177.584 -0.063 0.000 1.182 67 A CA 2.285 54.264 52.037 -0.097 0.000 0.633 67 A CB -0.707 18.263 19.000 -0.049 0.000 0.819 67 A HN 0.334 nan 8.150 nan 0.000 0.448 68 S N -1.486 114.195 115.700 -0.031 0.000 2.507 68 S HA -0.103 4.447 4.470 0.134 0.000 0.235 68 S C 1.715 176.288 174.600 -0.045 0.000 0.988 68 S CA 1.157 59.337 58.200 -0.034 0.000 0.944 68 S CB -0.114 63.052 63.200 -0.057 0.000 0.762 68 S HN 0.572 nan 8.310 nan 0.000 0.526 69 Q N 0.870 120.638 119.800 -0.053 0.000 2.252 69 Q HA 0.253 4.673 4.340 0.134 0.000 0.195 69 Q C 2.342 178.288 176.000 -0.090 0.000 0.974 69 Q CA 0.501 56.266 55.803 -0.064 0.000 0.846 69 Q CB -0.522 28.185 28.738 -0.052 0.000 0.943 69 Q HN 0.430 nan 8.270 nan 0.000 0.516 70 I N 1.800 122.326 120.570 -0.072 0.000 2.113 70 I HA -0.263 3.987 4.170 0.134 0.000 0.242 70 I C 2.551 178.669 176.117 0.002 0.000 1.057 70 I CA 1.780 63.061 61.300 -0.032 0.000 1.314 70 I CB -1.959 36.012 38.000 -0.047 0.000 1.022 70 I HN 0.095 nan 8.210 nan 0.000 0.408 71 V N -0.941 118.917 119.914 -0.094 0.000 2.594 71 V HA -0.244 3.956 4.120 0.134 0.000 0.253 71 V C 2.259 178.184 176.094 -0.281 0.000 1.069 71 V CA 1.435 63.609 62.300 -0.210 0.000 1.082 71 V CB -1.162 30.631 31.823 -0.049 0.000 0.680 71 V HN 0.458 nan 8.190 nan 0.000 0.469 72 Q N 0.352 120.056 119.800 -0.159 0.000 2.170 72 Q HA -0.158 4.262 4.340 0.134 0.000 0.203 72 Q C 2.231 178.091 176.000 -0.233 0.000 0.976 72 Q CA 1.730 57.458 55.803 -0.124 0.000 0.858 72 Q CB -0.182 28.515 28.738 -0.069 0.000 0.907 72 Q HN 0.541 nan 8.270 nan 0.000 0.433 73 R N 0.174 120.463 120.500 -0.351 0.000 2.339 73 R HA 0.105 4.525 4.340 0.134 0.000 0.199 73 R C 0.624 176.816 176.300 -0.180 0.000 1.018 73 R CA 0.171 56.164 56.100 -0.179 0.000 1.036 73 R CB -0.279 30.007 30.300 -0.023 0.000 0.899 73 R HN 0.214 nan 8.270 nan 0.000 0.473 77 V N 1.110 121.087 119.914 0.104 0.000 2.599 77 V HA 0.037 4.237 4.120 0.134 0.000 0.245 77 V C 2.136 178.321 176.094 0.152 0.000 1.046 77 V CA 1.708 64.083 62.300 0.126 0.000 1.065 77 V CB 0.249 32.142 31.823 0.117 0.000 0.703 77 V HN 0.840 nan 8.190 nan 0.000 0.464 78 C N -0.862 118.532 119.300 0.157 0.000 2.513 78 C HA 0.466 5.006 4.460 0.134 0.000 0.281 78 C C -0.229 174.870 174.990 0.182 0.000 1.501 78 C CA -1.347 57.769 59.018 0.163 0.000 1.749 78 C CB -0.591 27.224 27.740 0.125 0.000 2.955 78 C HN 0.388 nan 8.230 nan 0.000 0.532 79 P HA -0.100 nan 4.420 nan 0.000 0.221 79 P C 1.500 178.852 177.300 0.087 0.000 1.150 79 P CA 2.061 65.283 63.100 0.205 0.000 0.800 79 P CB -0.141 31.733 31.700 0.290 0.000 0.787 80 T N -1.859 112.720 114.554 0.042 0.000 2.915 80 T HA 0.037 4.467 4.350 0.134 0.000 0.269 80 T C 2.099 176.497 174.700 -0.504 0.000 1.071 80 T CA 1.076 63.111 62.100 -0.110 0.000 1.132 80 T CB -0.889 68.020 68.868 0.068 0.000 0.878 80 T HN 0.033 nan 8.240 nan 0.000 0.479 81 A N 1.926 124.518 122.820 -0.380 0.000 1.873 81 A HA -0.136 4.265 4.320 0.134 0.000 0.215 81 A C 2.305 179.562 177.584 -0.546 0.000 1.186 81 A CA 1.258 52.950 52.037 -0.574 0.000 0.616 81 A CB -0.907 18.000 19.000 -0.155 0.000 0.823 81 A HN 0.607 nan 8.150 nan 0.000 0.442 82 H N -0.526 118.413 119.070 -0.218 0.000 2.321 82 H HA -0.104 4.532 4.556 0.132 0.000 0.300 82 H C 2.690 177.855 175.328 -0.272 0.000 1.087 82 H CA 1.621 57.549 56.048 -0.199 0.000 1.319 82 H CB -0.597 29.161 29.762 -0.006 0.000 1.379 82 H HN 0.558 nan 8.280 nan 0.000 0.501 83 S N 0.095 115.733 115.700 -0.104 0.000 2.368 83 S HA -0.198 4.352 4.470 0.134 0.000 0.226 83 S C 2.242 176.688 174.600 -0.257 0.000 1.044 83 S CA 2.287 60.400 58.200 -0.146 0.000 1.062 83 S CB -0.413 62.711 63.200 -0.127 0.000 0.931 83 S HN 0.469 nan 8.310 nan 0.000 0.440 84 T N 2.147 116.449 114.554 -0.419 0.000 2.652 84 T HA -0.036 4.394 4.350 0.134 0.000 0.267 84 T C 2.113 176.596 174.700 -0.363 0.000 1.039 84 T CA 1.562 63.399 62.100 -0.439 0.000 1.153 84 T CB -0.944 67.475 68.868 -0.748 0.000 0.863 84 T HN 0.579 nan 8.240 nan 0.000 0.428 85 A N 0.952 123.488 122.820 -0.473 0.000 1.908 85 A HA -0.140 4.260 4.320 0.134 0.000 0.218 85 A C 2.580 179.914 177.584 -0.417 0.000 1.181 85 A CA 2.283 54.016 52.037 -0.507 0.000 0.627 85 A CB -1.126 17.382 19.000 -0.820 0.000 0.818 85 A HN 0.449 nan 8.150 nan 0.000 0.445 86 S N -0.564 114.903 115.700 -0.388 0.000 2.348 86 S HA -0.150 4.400 4.470 0.134 0.000 0.221 86 S C 2.048 176.610 174.600 -0.063 0.000 1.033 86 S CA 2.084 60.280 58.200 -0.006 0.000 1.010 86 S CB -0.763 62.506 63.200 0.115 0.000 0.891 86 S HN 0.975 nan 8.310 nan 0.000 0.442 87 V N 0.226 120.064 119.914 -0.127 0.000 2.626 87 V HA 0.019 4.220 4.120 0.134 0.000 0.252 87 V C 2.185 178.201 176.094 -0.130 0.000 1.067 87 V CA 1.511 63.727 62.300 -0.140 0.000 1.081 87 V CB -0.963 30.775 31.823 -0.142 0.000 0.686 87 V HN 0.466 nan 8.190 nan 0.000 0.468 88 L N 0.599 121.750 121.223 -0.120 0.000 2.072 88 L HA 0.027 4.447 4.340 0.134 0.000 0.205 88 L C 3.025 179.860 176.870 -0.058 0.000 1.079 88 L CA 1.519 56.314 54.840 -0.076 0.000 0.752 88 L CB -0.786 41.234 42.059 -0.065 0.000 0.906 88 L HN 0.403 nan 8.230 nan 0.000 0.436 89 A N 0.088 122.857 122.820 -0.084 0.000 1.908 89 A HA -0.182 4.218 4.320 0.134 0.000 0.218 89 A C 2.215 179.766 177.584 -0.056 0.000 1.181 89 A CA 1.545 53.534 52.037 -0.080 0.000 0.627 89 A CB -0.679 18.247 19.000 -0.123 0.000 0.818 89 A HN 0.362 nan 8.150 nan 0.000 0.445 90 L N -0.647 120.520 121.223 -0.093 0.000 2.109 90 L HA -0.142 4.278 4.340 0.134 0.000 0.207 90 L C 2.080 178.851 176.870 -0.165 0.000 1.086 90 L CA 1.135 55.869 54.840 -0.177 0.000 0.760 90 L CB -0.618 41.199 42.059 -0.404 0.000 0.910 90 L HN 0.277 nan 8.230 nan 0.000 0.437 91 D N 0.057 120.378 120.400 -0.132 0.000 2.116 91 D HA -0.262 4.459 4.640 0.134 0.000 0.193 91 D C 1.975 178.302 176.300 0.046 0.000 0.998 91 D CA 1.463 55.432 54.000 -0.052 0.000 0.836 91 D CB -0.040 40.735 40.800 -0.042 0.000 0.951 91 D HN 0.408 nan 8.370 nan 0.000 0.449 92 E N 0.422 120.651 120.200 0.049 0.000 2.031 92 E HA -0.142 4.288 4.350 0.134 0.000 0.193 92 E C 2.031 178.699 176.600 0.113 0.000 0.994 92 E CA 1.096 57.543 56.400 0.079 0.000 0.800 92 E CB -0.041 29.705 29.700 0.077 0.000 0.752 92 E HN 0.161 nan 8.360 nan 0.000 0.447 93 A N 0.072 122.975 122.820 0.140 0.000 1.972 93 A HA -0.132 4.268 4.320 0.134 0.000 0.219 93 A C 1.680 179.424 177.584 0.268 0.000 1.169 93 A CA 1.065 53.212 52.037 0.183 0.000 0.635 93 A CB -0.548 18.567 19.000 0.192 0.000 0.810 93 A HN 0.350 nan 8.150 nan 0.000 0.446 94 F N -0.583 119.362 119.950 -0.009 0.000 2.797 94 F HA 0.315 4.922 4.527 0.134 0.000 0.302 94 F C 1.887 177.687 175.800 -0.001 0.000 1.130 94 F CA -0.093 57.904 58.000 -0.005 0.000 1.387 94 F CB -0.523 38.474 39.000 -0.005 0.000 1.107 94 F HN 0.338 nan 8.300 nan 0.000 0.577 95 G N 0.935 109.838 108.800 0.172 0.000 2.249 95 G HA2 -0.140 3.900 3.960 0.134 0.000 0.273 95 G HA3 -0.140 3.900 3.960 0.134 0.000 0.273 95 G C 0.340 175.297 174.900 0.096 0.000 1.036 95 G CA 0.132 45.293 45.100 0.101 0.000 0.824 95 G HN 0.664 nan 8.290 nan 0.000 0.504 96 A N -0.187 122.697 122.820 0.108 0.000 2.328 96 A HA 0.667 5.067 4.320 0.134 0.000 0.284 96 A C 0.569 178.172 177.584 0.031 0.000 1.160 96 A CA -0.194 51.884 52.037 0.068 0.000 0.818 96 A CB 0.513 19.541 19.000 0.047 0.000 1.087 96 A HN 0.392 nan 8.150 nan 0.000 0.504 97 K N 2.695 123.108 120.400 0.021 0.000 2.300 97 K HA 0.345 4.745 4.320 0.134 0.000 0.264 97 K C -0.847 175.748 176.600 -0.008 0.000 1.083 97 K CA -0.459 55.833 56.287 0.008 0.000 0.958 97 K CB 1.317 33.822 32.500 0.009 0.000 1.318 97 K HN 0.470 nan 8.250 nan 0.000 0.448 98 V N 5.487 125.390 119.914 -0.019 0.000 2.475 98 V HA -0.022 4.178 4.120 0.134 0.000 0.292 98 V C -1.832 174.240 176.094 -0.037 0.000 1.003 98 V CA -1.087 61.192 62.300 -0.035 0.000 1.120 98 V CB -0.400 31.395 31.823 -0.047 0.000 0.937 98 V HN 0.589 nan 8.190 nan 0.000 0.476 99 P HA -0.015 nan 4.420 nan 0.000 0.266 99 P C 1.134 178.401 177.300 -0.055 0.000 1.193 99 P CA 0.168 63.243 63.100 -0.043 0.000 0.770 99 P CB 0.373 32.046 31.700 -0.046 0.000 0.836 100 N N 2.921 121.591 118.700 -0.051 0.000 2.060 100 N HA -0.294 4.526 4.740 0.134 0.000 0.195 100 N C 1.413 176.874 175.510 -0.081 0.000 1.028 100 N CA 1.560 54.575 53.050 -0.058 0.000 0.861 100 N CB -0.230 38.229 38.487 -0.046 0.000 1.029 100 N HN 0.454 nan 8.380 nan 0.000 0.428 101 N N -0.194 118.456 118.700 -0.085 0.000 2.289 101 N HA -0.094 4.726 4.740 0.134 0.000 0.184 101 N C 1.738 177.163 175.510 -0.141 0.000 1.016 101 N CA 0.891 53.873 53.050 -0.114 0.000 0.872 101 N CB -0.126 38.297 38.487 -0.108 0.000 0.973 101 N HN 0.310 nan 8.380 nan 0.000 0.433 102 G N 1.171 109.901 108.800 -0.117 0.000 2.403 102 G HA2 -0.234 3.806 3.960 0.134 0.000 0.216 102 G HA3 -0.234 3.806 3.960 0.134 0.000 0.216 102 G C 1.558 176.379 174.900 -0.132 0.000 1.154 102 G CA 0.234 45.263 45.100 -0.118 0.000 0.784 102 G HN 0.288 nan 8.290 nan 0.000 0.538 103 R N 0.254 120.679 120.500 -0.124 0.000 2.083 103 R HA -0.025 4.395 4.340 0.134 0.000 0.237 103 R C 2.479 178.644 176.300 -0.223 0.000 1.137 103 R CA 1.473 57.487 56.100 -0.142 0.000 0.951 103 R CB -0.383 29.851 30.300 -0.110 0.000 0.851 103 R HN 0.417 nan 8.270 nan 0.000 0.434 104 I N 0.431 120.861 120.570 -0.232 0.000 2.315 104 I HA -0.217 4.033 4.170 0.134 0.000 0.248 104 I C 2.139 178.045 176.117 -0.351 0.000 1.117 104 I CA 1.510 62.612 61.300 -0.330 0.000 1.404 104 I CB -0.387 37.487 38.000 -0.210 0.000 1.071 104 I HN 0.229 nan 8.210 nan 0.000 0.419 105 T N 0.426 114.813 114.554 -0.279 0.000 2.746 105 T HA -0.157 4.273 4.350 0.134 0.000 0.267 105 T C 2.049 176.648 174.700 -0.169 0.000 1.039 105 T CA 1.235 63.167 62.100 -0.279 0.000 1.142 105 T CB -0.237 68.462 68.868 -0.282 0.000 0.866 105 T HN 0.285 nan 8.240 nan 0.000 0.444 106 R N 1.047 121.457 120.500 -0.151 0.000 2.091 106 R HA -0.061 4.359 4.340 0.134 0.000 0.238 106 R C 2.435 178.702 176.300 -0.055 0.000 1.136 106 R CA 1.391 57.444 56.100 -0.077 0.000 0.959 106 R CB -0.270 29.976 30.300 -0.090 0.000 0.856 106 R HN 0.331 nan 8.270 nan 0.000 0.437 107 N N 0.759 119.297 118.700 -0.269 0.000 2.166 107 N HA -0.146 4.674 4.740 0.134 0.000 0.186 107 N C 1.843 177.181 175.510 -0.287 0.000 1.019 107 N CA 1.081 53.835 53.050 -0.494 0.000 0.856 107 N CB -0.201 37.297 38.487 -1.648 0.000 0.993 107 N HN 0.220 nan 8.380 nan 0.000 0.426 108 L N 0.555 121.664 121.223 -0.190 0.000 2.046 108 L HA -0.090 4.330 4.340 0.134 0.000 0.208 108 L C 2.139 179.183 176.870 0.292 0.000 1.077 108 L CA 0.827 55.693 54.840 0.043 0.000 0.747 108 L CB -0.343 41.614 42.059 -0.169 0.000 0.896 108 L HN 0.103 nan 8.230 nan 0.000 0.432 109 I N -1.100 119.622 120.570 0.254 0.000 2.142 109 I HA -0.335 3.915 4.170 0.134 0.000 0.240 109 I C 2.452 178.794 176.117 0.376 0.000 1.078 109 I CA 1.388 62.872 61.300 0.306 0.000 1.343 109 I CB -0.351 37.776 38.000 0.210 0.000 1.046 109 I HN 0.163 nan 8.210 nan 0.000 0.405 110 F N 1.844 121.903 119.950 0.180 0.000 2.163 110 F HA 0.011 4.617 4.527 0.132 0.000 0.297 110 F C 2.287 178.327 175.800 0.399 0.000 1.094 110 F CA 1.271 59.425 58.000 0.256 0.000 1.290 110 F CB -1.188 37.934 39.000 0.203 0.000 1.017 110 F HN -0.016 nan 8.300 nan 0.000 0.483 111 G N -0.079 108.928 108.800 0.345 0.000 2.442 111 G HA2 -0.219 3.821 3.960 0.134 0.000 0.219 111 G HA3 -0.219 3.821 3.960 0.134 0.000 0.219 111 G C 1.877 176.928 174.900 0.252 0.000 1.141 111 G CA 0.968 46.168 45.100 0.167 0.000 0.763 111 G HN 0.573 nan 8.290 nan 0.000 0.554 112 A N 0.994 124.006 122.820 0.320 0.000 1.933 112 A HA -0.123 4.277 4.320 0.134 0.000 0.218 112 A C 2.157 179.912 177.584 0.285 0.000 1.175 112 A CA 2.068 54.272 52.037 0.279 0.000 0.628 112 A CB -0.505 18.648 19.000 0.256 0.000 0.814 112 A HN 0.444 nan 8.150 nan 0.000 0.444 113 N N -1.940 116.971 118.700 0.350 0.000 2.354 113 N HA -0.088 4.732 4.740 0.134 0.000 0.179 113 N C 1.354 177.027 175.510 0.273 0.000 1.021 113 N CA 0.832 54.089 53.050 0.344 0.000 0.887 113 N CB -0.381 38.336 38.487 0.384 0.000 0.974 113 N HN 0.485 nan 8.380 nan 0.000 0.437 114 Y N 0.810 121.156 120.300 0.075 0.000 2.151 114 Y HA -0.160 4.471 4.550 0.136 0.000 0.284 114 Y C 1.916 177.734 175.900 -0.136 0.000 1.166 114 Y CA 1.340 59.367 58.100 -0.121 0.000 1.163 114 Y CB -0.272 38.120 38.460 -0.114 0.000 0.974 114 Y HN 0.120 nan 8.280 nan 0.000 0.511 115 L N -0.700 120.650 121.223 0.212 0.000 2.027 115 L HA -0.237 4.183 4.340 0.134 0.000 0.206 115 L C 2.617 179.583 176.870 0.160 0.000 1.074 115 L CA 1.541 56.509 54.840 0.213 0.000 0.745 115 L CB -0.749 41.452 42.059 0.237 0.000 0.898 115 L HN 0.218 nan 8.230 nan 0.000 0.433 116 Q N 0.036 119.914 119.800 0.129 0.000 2.061 116 Q HA -0.252 4.168 4.340 0.134 0.000 0.204 116 Q C 2.356 178.399 176.000 0.072 0.000 0.984 116 Q CA 2.409 58.245 55.803 0.056 0.000 0.846 116 Q CB -0.150 28.595 28.738 0.012 0.000 0.902 116 Q HN 0.402 nan 8.270 nan 0.000 0.421 117 S N -0.784 114.965 115.700 0.083 0.000 2.387 117 S HA -0.134 4.416 4.470 0.134 0.000 0.226 117 S C 1.741 176.479 174.600 0.231 0.000 1.026 117 S CA 0.931 59.193 58.200 0.103 0.000 0.972 117 S CB -0.192 63.025 63.200 0.030 0.000 0.814 117 S HN 0.499 nan 8.310 nan 0.000 0.477 118 H N 1.081 120.243 119.070 0.152 0.000 2.395 118 H HA 0.200 4.836 4.556 0.133 0.000 0.299 118 H C 2.079 177.479 175.328 0.119 0.000 1.070 118 H CA 1.143 57.314 56.048 0.205 0.000 1.356 118 H CB -0.525 29.415 29.762 0.297 0.000 1.401 118 H HN 0.417 nan 8.280 nan 0.000 0.524 119 I N -0.039 120.627 120.570 0.160 0.000 2.179 119 I HA -0.246 4.004 4.170 0.134 0.000 0.242 119 I C 2.413 178.566 176.117 0.060 0.000 1.088 119 I CA 0.789 62.096 61.300 0.012 0.000 1.357 119 I CB -0.229 37.808 38.000 0.061 0.000 1.051 119 I HN 0.123 nan 8.210 nan 0.000 0.409 120 L N 0.534 121.823 121.223 0.110 0.000 2.013 120 L HA -0.327 4.094 4.340 0.134 0.000 0.212 120 L C 2.723 179.664 176.870 0.119 0.000 1.073 120 L CA 2.077 57.008 54.840 0.151 0.000 0.753 120 L CB -0.898 41.253 42.059 0.153 0.000 0.890 120 L HN 0.319 nan 8.230 nan 0.000 0.432 121 H N -1.687 117.445 119.070 0.104 0.000 2.293 121 H HA -0.239 4.396 4.556 0.131 0.000 0.300 121 H C 2.133 177.506 175.328 0.075 0.000 1.082 121 H CA 2.300 58.418 56.048 0.117 0.000 1.308 121 H CB -0.223 29.643 29.762 0.173 0.000 1.375 121 H HN 0.466 nan 8.280 nan 0.000 0.495 122 F N 0.720 120.577 119.950 -0.155 0.000 2.113 122 F HA -0.199 4.410 4.527 0.137 0.000 0.297 122 F C 1.844 177.393 175.800 -0.419 0.000 1.103 122 F CA 1.447 59.254 58.000 -0.323 0.000 1.248 122 F CB -0.668 38.174 39.000 -0.264 0.000 0.999 122 F HN 0.097 nan 8.300 nan 0.000 0.475 123 Y N -0.743 119.325 120.300 -0.387 0.000 2.153 123 Y HA -0.088 4.542 4.550 0.134 0.000 0.289 123 Y C 2.643 178.238 175.900 -0.509 0.000 1.119 123 Y CA 2.188 59.976 58.100 -0.520 0.000 1.116 123 Y CB -1.030 37.023 38.460 -0.678 0.000 1.004 123 Y HN 0.119 nan 8.280 nan 0.000 0.501 124 H N -1.152 117.837 119.070 -0.135 0.000 2.482 124 H HA 0.068 4.703 4.556 0.132 0.000 0.286 124 H C 1.765 177.080 175.328 -0.022 0.000 1.017 124 H CA 0.939 56.867 56.048 -0.199 0.000 1.322 124 H CB 0.128 29.731 29.762 -0.266 0.000 1.426 124 H HN 0.205 nan 8.280 nan 0.000 0.546 125 L N -0.739 120.479 121.223 -0.008 0.000 2.189 125 L HA 0.038 4.458 4.340 0.134 0.000 0.199 125 L C 2.018 178.797 176.870 -0.152 0.000 1.074 125 L CA 0.740 55.563 54.840 -0.029 0.000 0.783 125 L CB -0.161 41.921 42.059 0.038 0.000 0.955 125 L HN 0.095 nan 8.230 nan 0.000 0.460 126 S N 0.148 115.617 115.700 -0.385 0.000 2.439 126 S HA 0.091 4.641 4.470 0.134 0.000 0.224 126 S C 2.121 176.426 174.600 -0.491 0.000 1.029 126 S CA 0.729 58.666 58.200 -0.438 0.000 0.946 126 S CB 0.099 62.982 63.200 -0.529 0.000 0.797 126 S HN 0.372 nan 8.310 nan 0.000 0.504 127 A N 1.786 124.273 122.820 -0.555 0.000 1.972 127 A HA -0.150 4.250 4.320 0.134 0.000 0.219 127 A C 1.959 179.427 177.584 -0.193 0.000 1.169 127 A CA 1.130 52.894 52.037 -0.455 0.000 0.635 127 A CB -0.570 18.227 19.000 -0.338 0.000 0.810 127 A HN 0.523 nan 8.150 nan 0.000 0.446 128 Q N -0.347 119.385 119.800 -0.114 0.000 2.439 128 Q HA -0.173 4.247 4.340 0.134 0.000 0.211 128 Q C 0.757 176.633 176.000 -0.206 0.000 0.978 128 Q CA 1.065 56.817 55.803 -0.085 0.000 0.897 128 Q CB -0.212 28.541 28.738 0.025 0.000 0.956 128 Q HN 0.587 nan 8.270 nan 0.000 0.483 129 D N -0.500 119.632 120.400 -0.447 0.000 2.264 129 D HA -0.112 4.608 4.640 0.134 0.000 0.208 129 D C 0.776 176.510 176.300 -0.944 0.000 0.966 129 D CA 1.119 54.658 54.000 -0.768 0.000 0.864 129 D CB 0.112 40.170 40.800 -1.237 0.000 0.933 129 D HN 0.291 nan 8.370 nan 0.000 0.499 130 F N -0.942 118.905 119.950 -0.172 0.000 2.819 130 F HA 0.186 4.800 4.527 0.144 0.000 0.325 130 F C 0.557 176.354 175.800 -0.005 0.000 1.041 130 F CA -0.265 57.644 58.000 -0.153 0.000 1.184 130 F CB 0.484 39.290 39.000 -0.323 0.000 1.019 130 F HN -0.340 nan 8.300 nan 0.000 0.590 131 V N 1.564 121.529 119.914 0.085 0.000 2.417 131 V HA 0.412 4.612 4.120 0.134 0.000 0.291 131 V C -0.382 175.715 176.094 0.004 0.000 1.024 131 V CA -0.869 61.469 62.300 0.064 0.000 0.861 131 V CB 1.515 33.369 31.823 0.052 0.000 0.985 131 V HN 0.036 nan 8.190 nan 0.000 0.436 132 Q N 3.429 123.234 119.800 0.009 0.000 2.307 132 Q HA 0.514 4.934 4.340 0.134 0.000 0.259 132 Q C 0.329 176.277 176.000 -0.086 0.000 0.998 132 Q CA 0.326 56.121 55.803 -0.013 0.000 0.923 132 Q CB 1.063 29.808 28.738 0.012 0.000 1.196 132 Q HN 0.938 nan 8.270 nan 0.000 0.416 133 G N 4.574 113.300 108.800 -0.123 0.000 2.580 133 G HA2 0.476 4.516 3.960 0.134 0.000 0.278 133 G HA3 0.476 4.516 3.960 0.134 0.000 0.278 133 G C -2.281 172.513 174.900 -0.175 0.000 1.212 133 G CA -1.075 43.838 45.100 -0.311 0.000 0.939 133 G HN 0.725 nan 8.290 nan 0.000 0.513 134 P HA 0.178 nan 4.420 nan 0.000 0.276 134 P C -0.533 176.793 177.300 0.043 0.000 1.261 134 P CA -0.491 62.563 63.100 -0.076 0.000 0.800 134 P CB 0.964 32.606 31.700 -0.096 0.000 1.066 135 D N -0.349 120.074 120.400 0.039 0.000 2.736 135 D HA 0.115 4.835 4.640 0.134 0.000 0.228 135 D C -0.492 175.851 176.300 0.072 0.000 1.077 135 D CA 0.586 54.618 54.000 0.054 0.000 1.096 135 D CB -1.083 39.735 40.800 0.029 0.000 1.138 135 D HN 0.181 nan 8.370 nan 0.000 0.461 136 T N -0.400 114.233 114.554 0.132 0.000 2.956 136 T HA 0.643 5.073 4.350 0.134 0.000 0.312 136 T C -0.739 174.016 174.700 0.091 0.000 1.151 136 T CA -0.619 61.552 62.100 0.118 0.000 1.024 136 T CB 1.129 70.086 68.868 0.148 0.000 1.140 136 T HN 0.124 nan 8.240 nan 0.000 0.473 137 A N 4.720 127.528 122.820 -0.020 0.000 2.462 137 A HA 0.541 4.941 4.320 0.134 0.000 0.243 137 A C -1.478 175.915 177.584 -0.318 0.000 1.076 137 A CA -0.898 51.055 52.037 -0.139 0.000 0.773 137 A CB -0.080 18.858 19.000 -0.104 0.000 1.010 137 A HN 0.739 nan 8.150 nan 0.000 0.493 138 P HA 0.229 nan 4.420 nan 0.000 0.254 138 P C -0.244 176.747 177.300 -0.514 0.000 1.620 138 P CA 0.153 62.954 63.100 -0.499 0.000 1.050 138 P CB -0.076 31.358 31.700 -0.444 0.000 1.539 139 F N 0.237 120.164 119.950 -0.038 0.000 2.754 139 F HA 0.088 4.694 4.527 0.132 0.000 0.297 139 F C 1.414 177.186 175.800 -0.046 0.000 1.122 139 F CA -0.112 57.856 58.000 -0.053 0.000 1.400 139 F CB -0.116 38.836 39.000 -0.080 0.000 1.117 139 F HN -0.163 nan 8.300 nan 0.000 0.587 140 V N -3.187 116.764 119.914 0.061 0.000 3.114 140 V HA 0.675 4.875 4.120 0.134 0.000 0.308 140 V C -2.617 173.462 176.094 -0.025 0.000 1.168 140 V CA -2.200 60.115 62.300 0.025 0.000 1.015 140 V CB 1.562 33.409 31.823 0.040 0.000 1.050 140 V HN -0.219 nan 8.190 nan 0.000 0.433 141 P HA 0.594 nan 4.420 nan 0.000 0.276 141 P C -0.990 176.271 177.300 -0.065 0.000 1.261 141 P CA -0.394 62.684 63.100 -0.036 0.000 0.800 141 P CB 1.185 32.858 31.700 -0.045 0.000 1.066 142 R N -1.530 118.930 120.500 -0.066 0.000 2.909 142 R HA 0.484 4.905 4.340 0.134 0.000 0.262 142 R C -0.683 175.560 176.300 -0.095 0.000 1.095 142 R CA -0.920 55.114 56.100 -0.110 0.000 0.965 142 R CB -0.066 30.221 30.300 -0.021 0.000 1.300 142 R HN 0.073 nan 8.270 nan 0.000 0.442 143 F N 1.602 121.556 119.950 0.007 0.000 2.607 143 F HA 0.159 4.697 4.527 0.019 0.000 0.374 143 F C -1.297 174.510 175.800 0.012 0.000 1.104 143 F CA -1.286 56.719 58.000 0.008 0.000 1.296 143 F CB 0.362 39.366 39.000 0.007 0.000 1.085 143 F HN 0.421 nan 8.300 nan 0.000 0.584 144 P HA -0.142 nan 4.420 nan 0.000 0.218 144 P C -0.307 177.061 177.300 0.114 0.000 1.149 144 P CA 1.534 64.710 63.100 0.127 0.000 0.817 144 P CB 0.195 31.956 31.700 0.103 0.000 0.785 145 K N -0.460 120.015 120.400 0.125 0.000 2.459 145 K HA 0.317 4.717 4.320 0.134 0.000 0.218 145 K C 0.305 176.948 176.600 0.072 0.000 1.067 145 K CA -0.070 56.260 56.287 0.072 0.000 1.045 145 K CB 0.505 33.024 32.500 0.032 0.000 1.623 145 K HN -0.158 nan 8.250 nan 0.000 0.509 146 S N 1.248 117.011 115.700 0.106 0.000 2.603 146 S HA -0.081 4.469 4.470 0.134 0.000 0.220 146 S C 0.261 174.915 174.600 0.090 0.000 0.967 146 S CA 0.252 58.521 58.200 0.115 0.000 0.920 146 S CB -0.329 62.949 63.200 0.130 0.000 0.773 146 S HN 0.810 nan 8.310 nan 0.000 0.529 147 D N 0.991 121.444 120.400 0.088 0.000 2.737 147 D HA -0.186 4.534 4.640 0.134 0.000 0.238 147 D C -0.900 175.525 176.300 0.209 0.000 1.157 147 D CA 0.388 54.461 54.000 0.122 0.000 0.694 147 D CB -1.616 39.260 40.800 0.126 0.000 1.021 147 D HN 0.354 nan 8.370 nan 0.000 0.420 148 L N 1.366 122.690 121.223 0.168 0.000 2.264 148 L HA 0.420 4.840 4.340 0.134 0.000 0.287 148 L C 1.648 178.620 176.870 0.170 0.000 1.039 148 L CA -0.629 54.340 54.840 0.214 0.000 0.829 148 L CB 1.265 43.405 42.059 0.135 0.000 1.211 148 L HN 0.055 nan 8.230 nan 0.000 0.427 149 R N 2.626 123.251 120.500 0.207 0.000 2.397 149 R HA 0.311 4.731 4.340 0.134 0.000 0.241 149 R C -0.084 176.236 176.300 0.034 0.000 0.914 149 R CA -0.267 55.847 56.100 0.024 0.000 1.071 149 R CB 0.294 30.454 30.300 -0.235 0.000 1.116 149 R HN 0.485 nan 8.270 nan 0.000 0.524 150 L N 1.930 123.226 121.223 0.121 0.000 2.417 150 L HA 0.151 4.571 4.340 0.134 0.000 0.268 150 L C 0.928 177.832 176.870 0.056 0.000 1.158 150 L CA -0.396 54.503 54.840 0.099 0.000 0.819 150 L CB 0.868 43.016 42.059 0.148 0.000 1.112 150 L HN 0.114 nan 8.230 nan 0.000 0.458 151 S N 1.566 117.288 115.700 0.037 0.000 2.572 151 S HA 0.046 4.596 4.470 0.134 0.000 0.267 151 S C 1.035 175.653 174.600 0.031 0.000 1.361 151 S CA -0.638 57.577 58.200 0.025 0.000 1.009 151 S CB 0.739 63.949 63.200 0.016 0.000 0.888 151 S HN 0.504 nan 8.310 nan 0.000 0.553 152 K N 1.158 121.571 120.400 0.022 0.000 2.074 152 K HA -0.168 4.232 4.320 0.134 0.000 0.209 152 K C 2.082 178.696 176.600 0.024 0.000 1.048 152 K CA 2.006 58.305 56.287 0.020 0.000 0.926 152 K CB -0.693 31.816 32.500 0.013 0.000 0.713 152 K HN 0.893 nan 8.250 nan 0.000 0.444 153 E N 0.225 120.439 120.200 0.024 0.000 2.047 153 E HA -0.157 4.273 4.350 0.134 0.000 0.191 153 E C 1.937 178.562 176.600 0.040 0.000 0.987 153 E CA 0.678 57.094 56.400 0.027 0.000 0.799 153 E CB 0.000 29.713 29.700 0.021 0.000 0.752 153 E HN 0.053 nan 8.360 nan 0.000 0.449 154 L N 1.359 122.610 121.223 0.047 0.000 2.156 154 L HA -0.057 4.363 4.340 0.134 0.000 0.208 154 L C 1.834 178.754 176.870 0.084 0.000 1.095 154 L CA 1.712 56.593 54.840 0.067 0.000 0.770 154 L CB -0.705 41.394 42.059 0.067 0.000 0.914 154 L HN 0.105 nan 8.230 nan 0.000 0.439 155 N N -0.324 118.419 118.700 0.071 0.000 2.120 155 N HA -0.276 4.545 4.740 0.134 0.000 0.188 155 N C 1.950 177.489 175.510 0.048 0.000 1.024 155 N CA 1.611 54.701 53.050 0.066 0.000 0.852 155 N CB -0.129 38.388 38.487 0.050 0.000 1.003 155 N HN 0.387 nan 8.380 nan 0.000 0.424 156 K N -0.085 120.338 120.400 0.038 0.000 2.097 156 K HA -0.032 4.368 4.320 0.134 0.000 0.205 156 K C 1.858 178.490 176.600 0.052 0.000 1.050 156 K CA 1.183 57.487 56.287 0.028 0.000 0.938 156 K CB -0.196 32.316 32.500 0.021 0.000 0.718 156 K HN 0.203 nan 8.250 nan 0.000 0.442 157 A N 0.955 123.819 122.820 0.073 0.000 1.902 157 A HA -0.063 4.337 4.320 0.134 0.000 0.217 157 A C 2.386 180.064 177.584 0.156 0.000 1.181 157 A CA 1.832 53.931 52.037 0.103 0.000 0.623 157 A CB -1.343 17.717 19.000 0.100 0.000 0.818 157 A HN 0.563 nan 8.150 nan 0.000 0.443 158 G N -0.427 108.471 108.800 0.163 0.000 2.446 158 G HA2 -0.167 3.873 3.960 0.134 0.000 0.217 158 G HA3 -0.167 3.873 3.960 0.134 0.000 0.217 158 G C 1.525 176.547 174.900 0.204 0.000 1.168 158 G CA 1.413 46.646 45.100 0.222 0.000 0.771 158 G HN 0.339 nan 8.290 nan 0.000 0.551 159 V N 1.262 121.223 119.914 0.078 0.000 2.307 159 V HA -0.144 4.056 4.120 0.134 0.000 0.245 159 V C 2.582 178.710 176.094 0.057 0.000 1.045 159 V CA 2.116 64.406 62.300 -0.016 0.000 1.024 159 V CB -0.473 31.288 31.823 -0.103 0.000 0.651 159 V HN 0.252 nan 8.190 nan 0.000 0.449 160 D N -0.194 120.251 120.400 0.073 0.000 2.123 160 D HA -0.200 4.521 4.640 0.134 0.000 0.196 160 D C 2.350 178.725 176.300 0.124 0.000 0.992 160 D CA 1.424 55.474 54.000 0.084 0.000 0.833 160 D CB -0.179 40.667 40.800 0.076 0.000 0.954 160 D HN 0.545 nan 8.370 nan 0.000 0.455 161 Q N -1.021 118.882 119.800 0.173 0.000 2.187 161 Q HA -0.095 4.325 4.340 0.134 0.000 0.199 161 Q C 1.985 177.971 176.000 -0.023 0.000 0.957 161 Q CA 0.419 56.314 55.803 0.153 0.000 0.857 161 Q CB -0.072 28.825 28.738 0.265 0.000 0.929 161 Q HN 0.480 nan 8.270 nan 0.000 0.453 162 Y N 1.096 121.402 120.300 0.009 0.000 2.181 162 Y HA -0.237 4.391 4.550 0.131 0.000 0.288 162 Y C 1.854 177.809 175.900 0.091 0.000 1.146 162 Y CA 1.215 59.347 58.100 0.052 0.000 1.164 162 Y CB 0.054 38.611 38.460 0.161 0.000 0.982 162 Y HN -0.007 nan 8.280 nan 0.000 0.515 163 I N 0.522 121.304 120.570 0.353 0.000 2.163 163 I HA -0.289 3.962 4.170 0.134 0.000 0.240 163 I C 2.519 178.657 176.117 0.034 0.000 1.081 163 I CA 1.876 63.298 61.300 0.204 0.000 1.353 163 I CB -0.524 37.551 38.000 0.125 0.000 1.054 163 I HN 0.308 nan 8.210 nan 0.000 0.407 164 E N 1.276 121.468 120.200 -0.013 0.000 2.097 164 E HA -0.280 4.150 4.350 0.134 0.000 0.196 164 E C 2.194 178.570 176.600 -0.374 0.000 1.000 164 E CA 1.462 57.784 56.400 -0.131 0.000 0.804 164 E CB -0.060 29.628 29.700 -0.019 0.000 0.740 164 E HN 0.500 nan 8.360 nan 0.000 0.454 165 A N 0.638 123.199 122.820 -0.432 0.000 2.019 165 A HA -0.123 4.277 4.320 0.134 0.000 0.219 165 A C 2.118 179.588 177.584 -0.191 0.000 1.164 165 A CA 0.872 52.556 52.037 -0.588 0.000 0.644 165 A CB -0.487 18.081 19.000 -0.720 0.000 0.805 165 A HN 0.314 nan 8.150 nan 0.000 0.449 166 L N -0.624 120.546 121.223 -0.088 0.000 2.083 166 L HA -0.165 4.255 4.340 0.134 0.000 0.209 166 L C 2.579 179.347 176.870 -0.170 0.000 1.083 166 L CA 1.144 55.876 54.840 -0.179 0.000 0.752 166 L CB -0.405 41.540 42.059 -0.191 0.000 0.899 166 L HN 0.335 nan 8.230 nan 0.000 0.433 167 E N -0.249 119.844 120.200 -0.179 0.000 2.046 167 E HA -0.128 4.302 4.350 0.134 0.000 0.190 167 E C 2.406 178.884 176.600 -0.204 0.000 0.982 167 E CA 1.017 57.318 56.400 -0.165 0.000 0.800 167 E CB -0.415 29.195 29.700 -0.149 0.000 0.756 167 E HN 0.266 nan 8.360 nan 0.000 0.449 168 V N 2.395 122.112 119.914 -0.328 0.000 2.295 168 V HA -0.292 3.908 4.120 0.134 0.000 0.246 168 V C 2.591 178.562 176.094 -0.204 0.000 1.049 168 V CA 2.382 64.477 62.300 -0.341 0.000 1.024 168 V CB -0.675 30.736 31.823 -0.686 0.000 0.648 168 V HN 0.305 nan 8.190 nan 0.000 0.447 169 R N 1.042 121.431 120.500 -0.185 0.000 2.120 169 R HA -0.170 4.250 4.340 0.134 0.000 0.234 169 R C 2.312 178.507 176.300 -0.174 0.000 1.123 169 R CA 1.843 57.859 56.100 -0.140 0.000 0.975 169 R CB -0.637 29.608 30.300 -0.092 0.000 0.866 169 R HN 0.435 nan 8.270 nan 0.000 0.446 170 R N 1.030 121.442 120.500 -0.147 0.000 2.092 170 R HA -0.032 4.388 4.340 0.134 0.000 0.231 170 R C 2.014 178.287 176.300 -0.045 0.000 1.119 170 R CA 1.478 57.519 56.100 -0.098 0.000 0.970 170 R CB -0.211 30.039 30.300 -0.084 0.000 0.864 170 R HN 0.351 nan 8.270 nan 0.000 0.440 171 I N 0.350 120.879 120.570 -0.068 0.000 2.252 171 I HA -0.343 3.907 4.170 0.134 0.000 0.245 171 I C 2.429 178.527 176.117 -0.032 0.000 1.102 171 I CA 0.945 62.214 61.300 -0.052 0.000 1.385 171 I CB -0.229 37.727 38.000 -0.073 0.000 1.064 171 I HN 0.318 nan 8.210 nan 0.000 0.414 172 C N -0.114 119.175 119.300 -0.019 0.000 2.385 172 C HA -0.273 4.267 4.460 0.134 0.000 0.275 172 C C 2.677 177.748 174.990 0.135 0.000 1.207 172 C CA 1.203 60.245 59.018 0.040 0.000 1.760 172 C CB -1.692 26.077 27.740 0.048 0.000 2.051 172 C HN 0.507 nan 8.230 nan 0.000 0.467 173 H N -0.158 118.906 119.070 -0.010 0.000 2.457 173 H HA -0.101 4.535 4.556 0.133 0.000 0.294 173 H C 2.272 177.586 175.328 -0.024 0.000 1.064 173 H CA 0.951 56.997 56.048 -0.004 0.000 1.330 173 H CB 0.012 29.769 29.762 -0.008 0.000 1.395 173 H HN 0.657 nan 8.280 nan 0.000 0.541 174 E N 0.580 120.824 120.200 0.074 0.000 2.077 174 E HA -0.187 4.243 4.350 0.134 0.000 0.193 174 E C 2.126 178.692 176.600 -0.056 0.000 0.989 174 E CA 1.015 57.411 56.400 -0.007 0.000 0.800 174 E CB -0.020 29.663 29.700 -0.028 0.000 0.746 174 E HN 0.494 nan 8.360 nan 0.000 0.452 175 M N 0.437 119.981 119.600 -0.093 0.000 2.117 175 M HA -0.168 4.393 4.480 0.134 0.000 0.262 175 M C 2.461 178.758 176.300 -0.006 0.000 1.065 175 M CA 1.126 56.294 55.300 -0.219 0.000 1.114 175 M CB -0.231 32.097 32.600 -0.452 0.000 1.361 175 M HN -0.014 nan 8.290 nan 0.000 0.408 176 V N 0.515 120.469 119.914 0.066 0.000 2.255 176 V HA -0.304 3.896 4.120 0.134 0.000 0.247 176 V C 2.597 178.721 176.094 0.050 0.000 1.051 176 V CA 2.180 64.548 62.300 0.114 0.000 1.018 176 V CB -1.272 30.595 31.823 0.072 0.000 0.641 176 V HN 0.562 nan 8.190 nan 0.000 0.445 177 A N -0.645 122.166 122.820 -0.015 0.000 2.019 177 A HA -0.117 4.284 4.320 0.134 0.000 0.219 177 A C 2.198 179.736 177.584 -0.077 0.000 1.164 177 A CA 1.475 53.489 52.037 -0.038 0.000 0.644 177 A CB -0.527 18.448 19.000 -0.043 0.000 0.805 177 A HN 0.524 nan 8.150 nan 0.000 0.449 178 L N -2.123 118.998 121.223 -0.171 0.000 2.043 178 L HA -0.198 4.222 4.340 0.134 0.000 0.212 178 L C 1.822 178.407 176.870 -0.476 0.000 1.075 178 L CA 1.473 56.072 54.840 -0.401 0.000 0.752 178 L CB -0.376 41.305 42.059 -0.630 0.000 0.891 178 L HN 0.477 nan 8.230 nan 0.000 0.432 179 F N -2.021 117.986 119.950 0.095 0.000 2.706 179 F HA 0.268 4.875 4.527 0.133 0.000 0.308 179 F C 1.983 177.802 175.800 0.033 0.000 1.095 179 F CA 0.168 58.195 58.000 0.045 0.000 1.244 179 F CB -0.535 38.475 39.000 0.017 0.000 1.063 179 F HN -0.125 nan 8.300 nan 0.000 0.582 180 G N -0.716 108.165 108.800 0.135 0.000 2.796 180 G HA2 0.383 4.423 3.960 0.134 0.000 0.210 180 G HA3 0.383 4.423 3.960 0.134 0.000 0.210 180 G C 1.631 176.557 174.900 0.044 0.000 1.146 180 G CA 0.595 45.747 45.100 0.087 0.000 0.779 180 G HN 0.535 nan 8.290 nan 0.000 0.535 181 G N 0.302 109.118 108.800 0.027 0.000 2.729 181 G HA2 -0.196 3.844 3.960 0.134 0.000 0.216 181 G HA3 -0.196 3.844 3.960 0.134 0.000 0.216 181 G C 0.456 175.356 174.900 -0.001 0.000 1.252 181 G CA 0.772 45.882 45.100 0.016 0.000 0.751 181 G HN 1.297 nan 8.290 nan 0.000 0.527 182 R N -1.956 118.537 120.500 -0.011 0.000 2.741 182 R HA 0.810 5.230 4.340 0.134 0.000 0.276 182 R C -1.391 174.865 176.300 -0.073 0.000 1.028 182 R CA -0.734 55.347 56.100 -0.032 0.000 0.865 182 R CB 0.829 31.120 30.300 -0.015 0.000 1.268 182 R HN 0.948 nan 8.270 nan 0.000 0.475 183 M N 0.710 120.231 119.600 -0.131 0.000 2.365 183 M HA 0.469 5.029 4.480 0.134 0.000 0.288 183 M C -2.764 173.380 176.300 -0.261 0.000 1.152 183 M CA -1.523 53.608 55.300 -0.281 0.000 0.948 183 M CB 2.105 34.384 32.600 -0.535 0.000 1.729 183 M HN 0.634 nan 8.290 nan 0.000 0.487 184 P HA 0.262 nan 4.420 nan 0.000 0.267 184 P C -1.371 175.756 177.300 -0.288 0.000 1.201 184 P CA 0.832 63.695 63.100 -0.395 0.000 0.775 184 P CB 0.032 31.375 31.700 -0.595 0.000 0.854 185 H N -2.580 116.465 119.070 -0.042 0.000 3.190 185 H HA -0.038 4.598 4.556 0.133 0.000 0.360 185 H C 0.145 175.455 175.328 -0.030 0.000 1.196 185 H CA -0.555 55.478 56.048 -0.024 0.000 1.178 185 H CB -1.935 27.822 29.762 -0.009 0.000 1.579 185 H HN 0.254 nan 8.280 nan 0.000 0.416 186 V N 0.135 120.096 119.914 0.078 0.000 2.763 186 V HA 0.006 4.206 4.120 0.134 0.000 0.306 186 V C 1.206 177.320 176.094 0.033 0.000 1.059 186 V CA -0.119 62.201 62.300 0.034 0.000 1.138 186 V CB 1.548 33.385 31.823 0.024 0.000 0.940 186 V HN 0.609 nan 8.190 nan 0.000 0.489 187 Q N 3.475 123.290 119.800 0.025 0.000 2.408 187 Q HA 0.161 4.581 4.340 0.134 0.000 0.205 187 Q C 1.944 177.951 176.000 0.012 0.000 0.919 187 Q CA 1.028 56.841 55.803 0.016 0.000 0.932 187 Q CB 0.624 29.373 28.738 0.017 0.000 1.058 187 Q HN 1.066 nan 8.270 nan 0.000 0.517 188 G N 0.417 109.230 108.800 0.022 0.000 2.813 188 G HA2 -0.053 3.987 3.960 0.134 0.000 0.209 188 G HA3 -0.053 3.987 3.960 0.134 0.000 0.209 188 G C 0.471 175.374 174.900 0.006 0.000 1.150 188 G CA -0.027 45.091 45.100 0.029 0.000 0.785 188 G HN 0.156 nan 8.290 nan 0.000 0.535 189 Q N 0.267 120.058 119.800 -0.015 0.000 2.322 189 Q HA 0.535 4.955 4.340 0.134 0.000 0.265 189 Q C -0.818 175.147 176.000 -0.059 0.000 0.985 189 Q CA -0.643 55.133 55.803 -0.045 0.000 0.849 189 Q CB 2.831 31.529 28.738 -0.067 0.000 1.274 189 Q HN 0.161 nan 8.270 nan 0.000 0.449 190 V N -1.221 118.649 119.914 -0.073 0.000 3.159 190 V HA 0.518 4.719 4.120 0.134 0.000 0.308 190 V C -0.184 175.832 176.094 -0.130 0.000 1.190 190 V CA -1.214 61.031 62.300 -0.091 0.000 1.037 190 V CB 1.533 33.315 31.823 -0.068 0.000 1.060 190 V HN 0.523 nan 8.190 nan 0.000 0.437 191 V N 2.929 122.725 119.914 -0.196 0.000 2.584 191 V HA 0.438 4.638 4.120 0.134 0.000 0.303 191 V C 1.542 177.535 176.094 -0.168 0.000 1.035 191 V CA 2.260 64.394 62.300 -0.276 0.000 1.172 191 V CB 0.190 31.645 31.823 -0.613 0.000 0.896 191 V HN 2.566 nan 8.190 nan 0.000 0.486 192 G N 3.264 111.989 108.800 -0.125 0.000 2.195 192 G HA2 0.137 4.177 3.960 0.134 0.000 0.224 192 G HA3 0.137 4.177 3.960 0.134 0.000 0.224 192 G C 1.222 176.086 174.900 -0.060 0.000 0.990 192 G CA 0.435 45.495 45.100 -0.068 0.000 0.639 192 G HN 2.373 nan 8.290 nan 0.000 0.514 193 G N -0.704 108.051 108.800 -0.074 0.000 2.249 193 G HA2 0.578 4.618 3.960 0.134 0.000 0.089 193 G HA3 0.578 4.618 3.960 0.134 0.000 0.089 193 G C -0.208 174.651 174.900 -0.068 0.000 1.206 193 G CA 1.219 46.277 45.100 -0.070 0.000 1.190 193 G HN 2.109 nan 8.290 nan 0.000 0.454 194 A N -0.447 122.336 122.820 -0.061 0.000 2.365 194 A HA 0.773 5.174 4.320 0.134 0.000 0.318 194 A C 1.026 178.591 177.584 -0.031 0.000 1.091 194 A CA 0.962 52.971 52.037 -0.046 0.000 0.763 194 A CB 1.432 20.398 19.000 -0.058 0.000 1.248 194 A HN 2.047 nan 8.150 nan 0.000 0.442 195 T N -1.291 113.257 114.554 -0.010 0.000 3.072 195 T HA 0.083 4.513 4.350 0.134 0.000 0.266 195 T C 0.391 175.098 174.700 0.012 0.000 1.127 195 T CA 1.325 63.425 62.100 -0.000 0.000 1.107 195 T CB -0.194 68.678 68.868 0.008 0.000 0.910 195 T HN 0.716 nan 8.240 nan 0.000 0.513 196 E N 0.856 121.068 120.200 0.021 0.000 2.260 196 E HA 0.391 4.821 4.350 0.134 0.000 0.266 196 E C -0.958 175.640 176.600 -0.003 0.000 0.887 196 E CA -1.086 55.338 56.400 0.040 0.000 0.777 196 E CB 1.095 30.860 29.700 0.109 0.000 1.205 196 E HN 0.063 nan 8.360 nan 0.000 0.414 197 I N 5.036 125.593 120.570 -0.021 0.000 2.587 197 I HA 0.145 4.395 4.170 0.134 0.000 0.284 197 I C -2.038 174.030 176.117 -0.081 0.000 1.134 197 I CA -2.344 58.912 61.300 -0.074 0.000 1.410 197 I CB -0.328 37.643 38.000 -0.048 0.000 1.392 197 I HN 0.433 nan 8.210 nan 0.000 0.545 198 P HA 0.061 nan 4.420 nan 0.000 0.263 198 P C 0.064 177.328 177.300 -0.061 0.000 1.195 198 P CA 0.174 63.091 63.100 -0.305 0.000 0.762 198 P CB 0.360 31.613 31.700 -0.745 0.000 0.799 199 T N -0.288 114.322 114.554 0.093 0.000 2.927 199 T HA 0.271 4.701 4.350 0.134 0.000 0.281 199 T C 1.206 175.958 174.700 0.087 0.000 0.998 199 T CA -0.837 61.305 62.100 0.070 0.000 1.019 199 T CB 1.386 70.306 68.868 0.086 0.000 1.061 199 T HN 0.292 nan 8.240 nan 0.000 0.518 200 K N 0.384 120.818 120.400 0.056 0.000 2.063 200 K HA -0.213 4.187 4.320 0.134 0.000 0.208 200 K C 1.778 178.427 176.600 0.082 0.000 1.048 200 K CA 1.893 58.215 56.287 0.057 0.000 0.928 200 K CB -0.224 32.299 32.500 0.037 0.000 0.713 200 K HN 0.680 nan 8.250 nan 0.000 0.442 201 E N 0.802 121.050 120.200 0.080 0.000 2.051 201 E HA -0.137 4.293 4.350 0.134 0.000 0.192 201 E C 1.904 178.567 176.600 0.106 0.000 0.991 201 E CA 1.603 58.051 56.400 0.079 0.000 0.799 201 E CB 0.040 29.777 29.700 0.061 0.000 0.748 201 E HN 0.300 nan 8.360 nan 0.000 0.449 202 K N 0.058 120.546 120.400 0.147 0.000 2.217 202 K HA 0.009 4.409 4.320 0.134 0.000 0.202 202 K C 2.026 178.787 176.600 0.267 0.000 1.051 202 K CA 0.544 56.932 56.287 0.168 0.000 0.952 202 K CB -0.027 32.591 32.500 0.196 0.000 0.736 202 K HN 0.089 nan 8.250 nan 0.000 0.453 203 L N 0.441 121.853 121.223 0.315 0.000 2.141 203 L HA -0.161 4.259 4.340 0.134 0.000 0.209 203 L C 2.196 179.198 176.870 0.220 0.000 1.094 203 L CA 0.664 55.683 54.840 0.299 0.000 0.763 203 L CB -0.321 41.832 42.059 0.157 0.000 0.908 203 L HN -0.032 nan 8.230 nan 0.000 0.437 204 V N -0.108 119.900 119.914 0.156 0.000 2.295 204 V HA -0.293 3.907 4.120 0.134 0.000 0.246 204 V C 2.391 178.566 176.094 0.134 0.000 1.049 204 V CA 1.872 64.248 62.300 0.126 0.000 1.024 204 V CB -0.458 31.417 31.823 0.087 0.000 0.648 204 V HN 0.473 nan 8.190 nan 0.000 0.447 205 E N -1.065 119.207 120.200 0.120 0.000 2.077 205 E HA -0.270 4.160 4.350 0.134 0.000 0.193 205 E C 2.106 178.776 176.600 0.115 0.000 0.989 205 E CA 1.847 58.298 56.400 0.086 0.000 0.800 205 E CB -0.258 29.465 29.700 0.038 0.000 0.746 205 E HN 0.769 nan 8.360 nan 0.000 0.452 206 Y N 1.096 121.416 120.300 0.033 0.000 2.163 206 Y HA -0.213 4.417 4.550 0.134 0.000 0.288 206 Y C 2.370 178.355 175.900 0.142 0.000 1.136 206 Y CA 1.485 59.621 58.100 0.060 0.000 1.147 206 Y CB -0.166 38.358 38.460 0.107 0.000 0.987 206 Y HN 0.002 nan 8.280 nan 0.000 0.509 207 A N 0.470 123.541 122.820 0.418 0.000 1.908 207 A HA -0.198 4.203 4.320 0.134 0.000 0.218 207 A C 2.357 180.089 177.584 0.247 0.000 1.181 207 A CA 1.937 54.188 52.037 0.356 0.000 0.627 207 A CB -1.496 17.658 19.000 0.257 0.000 0.818 207 A HN 0.613 nan 8.150 nan 0.000 0.445 208 A N -0.329 122.584 122.820 0.155 0.000 1.902 208 A HA -0.162 4.238 4.320 0.134 0.000 0.217 208 A C 2.252 179.870 177.584 0.057 0.000 1.181 208 A CA 1.636 53.727 52.037 0.089 0.000 0.623 208 A CB -0.441 18.597 19.000 0.062 0.000 0.818 208 A HN 0.544 nan 8.150 nan 0.000 0.443 209 R N -1.979 118.544 120.500 0.039 0.000 2.092 209 R HA -0.068 4.353 4.340 0.134 0.000 0.231 209 R C 1.955 178.265 176.300 0.017 0.000 1.119 209 R CA 1.445 57.540 56.100 -0.008 0.000 0.970 209 R CB -0.459 29.801 30.300 -0.068 0.000 0.864 209 R HN 0.589 nan 8.270 nan 0.000 0.440 210 F N 2.264 122.158 119.950 -0.093 0.000 2.216 210 F HA -0.188 4.418 4.527 0.133 0.000 0.300 210 F C 2.124 177.926 175.800 0.004 0.000 1.085 210 F CA 1.477 59.444 58.000 -0.056 0.000 1.326 210 F CB -0.100 38.912 39.000 0.020 0.000 1.027 210 F HN -0.218 nan 8.300 nan 0.000 0.497 211 K N 1.044 121.380 120.400 -0.107 0.000 2.057 211 K HA -0.164 4.237 4.320 0.134 0.000 0.207 211 K C 1.948 178.449 176.600 -0.166 0.000 1.049 211 K CA 1.815 57.990 56.287 -0.186 0.000 0.931 211 K CB -0.320 32.160 32.500 -0.033 0.000 0.714 211 K HN 0.275 nan 8.250 nan 0.000 0.440 212 K N -0.039 120.308 120.400 -0.087 0.000 2.097 212 K HA -0.069 4.331 4.320 0.134 0.000 0.205 212 K C 2.032 178.610 176.600 -0.036 0.000 1.050 212 K CA 1.444 57.703 56.287 -0.047 0.000 0.938 212 K CB -0.206 32.274 32.500 -0.034 0.000 0.718 212 K HN -0.019 nan 8.250 nan 0.000 0.442 213 V N 1.628 121.497 119.914 -0.076 0.000 2.261 213 V HA -0.255 3.945 4.120 0.134 0.000 0.246 213 V C 2.509 178.590 176.094 -0.023 0.000 1.047 213 V CA 1.818 64.108 62.300 -0.016 0.000 1.015 213 V CB -0.610 31.218 31.823 0.009 0.000 0.642 213 V HN 0.329 nan 8.190 nan 0.000 0.446 214 R N 0.262 120.584 120.500 -0.296 0.000 2.133 214 R HA -0.266 4.154 4.340 0.134 0.000 0.245 214 R C 2.070 178.321 176.300 -0.082 0.000 1.137 214 R CA 2.563 58.473 56.100 -0.316 0.000 0.947 214 R CB -0.564 29.356 30.300 -0.634 0.000 0.865 214 R HN 0.536 nan 8.270 nan 0.000 0.437 215 D N -0.348 120.021 120.400 -0.053 0.000 2.106 215 D HA -0.212 4.508 4.640 0.134 0.000 0.191 215 D C 1.585 177.950 176.300 0.108 0.000 0.997 215 D CA 1.425 55.441 54.000 0.027 0.000 0.834 215 D CB -0.447 40.371 40.800 0.031 0.000 0.956 215 D HN 0.238 nan 8.370 nan 0.000 0.448 216 F N 1.268 121.224 119.950 0.009 0.000 2.102 216 F HA -0.211 4.396 4.527 0.132 0.000 0.298 216 F C 2.266 178.155 175.800 0.148 0.000 1.105 216 F CA 1.023 59.059 58.000 0.059 0.000 1.239 216 F CB -0.364 38.654 39.000 0.030 0.000 0.991 216 F HN -0.201 nan 8.300 nan 0.000 0.474 217 V N 0.492 120.544 119.914 0.230 0.000 2.332 217 V HA -0.312 3.888 4.120 0.134 0.000 0.248 217 V C 2.266 178.434 176.094 0.124 0.000 1.055 217 V CA 2.408 64.859 62.300 0.251 0.000 1.038 217 V CB -0.699 31.316 31.823 0.321 0.000 0.651 217 V HN 0.388 nan 8.190 nan 0.000 0.450 218 E N -0.418 119.848 120.200 0.109 0.000 2.051 218 E HA -0.192 4.238 4.350 0.134 0.000 0.189 218 E C 2.285 178.894 176.600 0.015 0.000 0.979 218 E CA 1.132 57.597 56.400 0.107 0.000 0.803 218 E CB -0.092 29.681 29.700 0.122 0.000 0.761 218 E HN 0.677 nan 8.360 nan 0.000 0.451 219 Q N -0.240 119.553 119.800 -0.011 0.000 2.302 219 Q HA 0.018 4.438 4.340 0.134 0.000 0.202 219 Q C 1.623 177.578 176.000 -0.074 0.000 0.936 219 Q CA 0.605 56.390 55.803 -0.030 0.000 0.886 219 Q CB 0.458 29.195 28.738 -0.001 0.000 0.986 219 Q HN -0.028 nan 8.270 nan 0.000 0.487 220 K N -1.009 119.280 120.400 -0.185 0.000 2.418 220 K HA 0.040 4.440 4.320 0.134 0.000 0.208 220 K C 1.738 178.251 176.600 -0.144 0.000 1.261 220 K CA 0.317 56.453 56.287 -0.251 0.000 0.874 220 K CB -0.454 31.689 32.500 -0.595 0.000 1.451 220 K HN 0.034 nan 8.250 nan 0.000 0.466 221 Y N 3.031 123.091 120.300 -0.400 0.000 2.109 221 Y HA -0.131 4.498 4.550 0.133 0.000 0.285 221 Y C 2.082 177.900 175.900 -0.136 0.000 1.131 221 Y CA 1.149 59.159 58.100 -0.149 0.000 1.121 221 Y CB -0.691 37.754 38.460 -0.026 0.000 0.987 221 Y HN -0.246 nan 8.280 nan 0.000 0.495 222 V N 1.539 121.272 119.914 -0.302 0.000 2.343 222 V HA -0.214 3.986 4.120 0.134 0.000 0.247 222 V C -0.452 175.606 176.094 -0.061 0.000 1.051 222 V CA 2.386 64.503 62.300 -0.306 0.000 1.036 222 V CB -1.946 29.785 31.823 -0.154 0.000 0.654 222 V HN 0.286 nan 8.190 nan 0.000 0.451 223 P HA -0.097 nan 4.420 nan 0.000 0.217 223 P C 2.002 179.326 177.300 0.041 0.000 1.150 223 P CA 1.069 64.183 63.100 0.024 0.000 0.832 223 P CB -0.004 31.689 31.700 -0.011 0.000 0.787 224 V N -0.525 119.390 119.914 0.002 0.000 2.548 224 V HA -0.155 4.045 4.120 0.134 0.000 0.249 224 V C 2.156 178.201 176.094 -0.082 0.000 1.055 224 V CA 1.550 63.867 62.300 0.029 0.000 1.065 224 V CB -0.713 31.201 31.823 0.152 0.000 0.681 224 V HN -0.089 nan 8.190 nan 0.000 0.462 225 V N -0.890 118.836 119.914 -0.312 0.000 2.358 225 V HA -0.233 3.967 4.120 0.134 0.000 0.246 225 V C 2.142 178.081 176.094 -0.258 0.000 1.047 225 V CA 2.142 64.123 62.300 -0.531 0.000 1.035 225 V CB -0.841 30.482 31.823 -0.834 0.000 0.658 225 V HN 0.605 nan 8.190 nan 0.000 0.452 226 Y N 1.145 121.391 120.300 -0.090 0.000 2.181 226 Y HA -0.211 4.421 4.550 0.136 0.000 0.288 226 Y C 2.808 178.806 175.900 0.163 0.000 1.146 226 Y CA 2.033 60.193 58.100 0.099 0.000 1.164 226 Y CB -1.005 37.497 38.460 0.069 0.000 0.982 226 Y HN 0.229 nan 8.280 nan 0.000 0.515 227 T N 0.317 114.993 114.554 0.204 0.000 2.737 227 T HA -0.154 4.276 4.350 0.134 0.000 0.265 227 T C 2.023 176.778 174.700 0.091 0.000 1.038 227 T CA 1.584 63.753 62.100 0.115 0.000 1.144 227 T CB -0.534 68.380 68.868 0.077 0.000 0.866 227 T HN 0.215 nan 8.240 nan 0.000 0.434 228 I N 1.495 122.112 120.570 0.077 0.000 2.163 228 I HA -0.155 4.095 4.170 0.134 0.000 0.243 228 I C 2.951 179.114 176.117 0.076 0.000 1.085 228 I CA 1.386 62.725 61.300 0.065 0.000 1.347 228 I CB -0.882 37.114 38.000 -0.007 0.000 1.044 228 I HN 0.344 nan 8.210 nan 0.000 0.408 229 G N 0.591 109.433 108.800 0.069 0.000 2.469 229 G HA2 -0.348 3.692 3.960 0.134 0.000 0.220 229 G HA3 -0.348 3.692 3.960 0.134 0.000 0.220 229 G C 1.758 176.916 174.900 0.431 0.000 1.136 229 G CA 1.292 46.559 45.100 0.279 0.000 0.759 229 G HN 0.532 nan 8.290 nan 0.000 0.562 230 S N 0.078 115.887 115.700 0.183 0.000 2.447 230 S HA 0.045 4.595 4.470 0.134 0.000 0.233 230 S C 1.853 176.384 174.600 -0.114 0.000 1.006 230 S CA 1.054 59.099 58.200 -0.259 0.000 0.957 230 S CB 0.003 62.902 63.200 -0.501 0.000 0.773 230 S HN 0.240 nan 8.310 nan 0.000 0.507 231 K N 0.157 120.566 120.400 0.016 0.000 2.404 231 K HA 0.212 4.612 4.320 0.134 0.000 0.194 231 K C -0.641 175.819 176.600 -0.233 0.000 1.023 231 K CA 0.230 56.470 56.287 -0.079 0.000 1.094 231 K CB -0.067 32.407 32.500 -0.044 0.000 0.841 231 K HN 0.593 nan 8.250 nan 0.000 0.523 232 Y N 0.145 120.463 120.300 0.031 0.000 2.614 232 Y HA 0.238 4.867 4.550 0.133 0.000 0.296 232 Y C 1.054 177.046 175.900 0.152 0.000 0.942 232 Y CA -0.500 57.632 58.100 0.053 0.000 1.111 232 Y CB 0.691 39.124 38.460 -0.045 0.000 1.182 232 Y HN -0.161 nan 8.280 nan 0.000 0.624 233 K N 0.277 120.844 120.400 0.279 0.000 2.147 233 K HA -0.173 4.227 4.320 0.134 0.000 0.205 233 K C 1.536 178.357 176.600 0.369 0.000 1.049 233 K CA 1.681 58.221 56.287 0.422 0.000 0.936 233 K CB 0.027 32.659 32.500 0.219 0.000 0.722 233 K HN 0.514 nan 8.250 nan 0.000 0.446 234 D N 0.993 121.522 120.400 0.215 0.000 2.228 234 D HA -0.223 4.497 4.640 0.134 0.000 0.203 234 D C 1.472 177.871 176.300 0.166 0.000 0.988 234 D CA 1.200 55.300 54.000 0.167 0.000 0.864 234 D CB -0.200 40.669 40.800 0.114 0.000 0.928 234 D HN 0.145 nan 8.370 nan 0.000 0.469 235 M N -0.677 119.018 119.600 0.157 0.000 2.619 235 M HA 0.074 4.634 4.480 0.134 0.000 0.251 235 M C 0.967 177.190 176.300 -0.128 0.000 1.106 235 M CA 0.333 55.646 55.300 0.023 0.000 1.086 235 M CB -0.731 31.860 32.600 -0.015 0.000 1.465 235 M HN -0.028 nan 8.290 nan 0.000 0.506 236 F N 0.563 120.568 119.950 0.092 0.000 2.797 236 F HA 0.047 4.658 4.527 0.139 0.000 0.302 236 F C 1.686 177.513 175.800 0.045 0.000 1.130 236 F CA 0.608 58.640 58.000 0.053 0.000 1.387 236 F CB -0.119 38.912 39.000 0.052 0.000 1.107 236 F HN 0.116 nan 8.300 nan 0.000 0.577 237 K N -0.111 120.397 120.400 0.180 0.000 2.358 237 K HA 0.229 4.629 4.320 0.134 0.000 0.200 237 K C -0.062 176.587 176.600 0.083 0.000 1.030 237 K CA 0.159 56.521 56.287 0.126 0.000 1.097 237 K CB 0.949 33.516 32.500 0.111 0.000 0.862 237 K HN 0.104 nan 8.250 nan 0.000 0.534 238 V N -4.214 115.742 119.914 0.071 0.000 3.102 238 V HA 0.831 5.031 4.120 0.134 0.000 0.312 238 V C 0.452 176.578 176.094 0.053 0.000 1.135 238 V CA -0.368 61.964 62.300 0.054 0.000 1.022 238 V CB 1.306 33.160 31.823 0.051 0.000 1.056 238 V HN 0.241 nan 8.190 nan 0.000 0.436 239 G N 1.068 109.904 108.800 0.059 0.000 2.137 239 G HA2 -0.232 3.808 3.960 0.134 0.000 0.237 239 G HA3 -0.232 3.808 3.960 0.134 0.000 0.237 239 G C 0.281 175.253 174.900 0.121 0.000 1.002 239 G CA 0.692 45.848 45.100 0.093 0.000 0.702 239 G HN 1.007 nan 8.290 nan 0.000 0.515 240 Q N -0.250 119.601 119.800 0.085 0.000 2.123 240 Q HA 0.362 4.782 4.340 0.134 0.000 0.199 240 Q C 2.490 178.546 176.000 0.092 0.000 0.966 240 Q CA 2.334 58.197 55.803 0.100 0.000 0.845 240 Q CB -0.383 28.374 28.738 0.032 0.000 0.907 240 Q HN 1.777 nan 8.270 nan 0.000 0.439 241 G N 0.158 108.958 108.800 0.001 0.000 2.652 241 G HA2 -0.371 3.669 3.960 0.134 0.000 0.318 241 G HA3 -0.371 3.669 3.960 0.134 0.000 0.318 241 G C 0.461 175.246 174.900 -0.192 0.000 1.295 241 G CA 0.543 45.554 45.100 -0.147 0.000 0.999 241 G HN 0.346 nan 8.290 nan 0.000 0.548 242 F N 1.938 121.911 119.950 0.039 0.000 2.661 242 F HA 0.225 4.833 4.527 0.135 0.000 0.298 242 F C 1.871 177.597 175.800 -0.124 0.000 1.137 242 F CA 1.222 59.213 58.000 -0.015 0.000 1.454 242 F CB -0.201 38.815 39.000 0.027 0.000 1.103 242 F HN 0.439 nan 8.300 nan 0.000 0.577 243 K N -0.009 120.341 120.400 -0.083 0.000 3.177 243 K HA -0.149 4.251 4.320 0.134 0.000 0.266 243 K C -0.223 176.091 176.600 -0.476 0.000 0.937 243 K CA 0.352 56.210 56.287 -0.715 0.000 0.702 243 K CB -1.650 30.428 32.500 -0.705 0.000 1.365 243 K HN 0.266 nan 8.250 nan 0.000 0.466 244 A N 0.263 123.073 122.820 -0.016 0.000 2.393 244 A HA 0.860 5.260 4.320 0.134 0.000 0.306 244 A C -0.706 177.056 177.584 0.297 0.000 1.050 244 A CA -0.022 52.099 52.037 0.139 0.000 0.724 244 A CB 1.886 20.938 19.000 0.088 0.000 1.248 244 A HN 0.415 nan 8.150 nan 0.000 0.424 245 A N 1.042 124.052 122.820 0.317 0.000 2.454 245 A HA 0.819 5.219 4.320 0.134 0.000 0.302 245 A C -1.496 176.104 177.584 0.027 0.000 1.079 245 A CA -0.480 51.694 52.037 0.229 0.000 0.731 245 A CB 1.480 20.679 19.000 0.332 0.000 1.299 245 A HN 1.845 nan 8.150 nan 0.000 0.413 246 L N 1.166 122.300 121.223 -0.148 0.000 2.385 246 L HA 0.777 5.197 4.340 0.134 0.000 0.273 246 L C -0.940 175.729 176.870 -0.336 0.000 0.990 246 L CA -0.238 54.386 54.840 -0.360 0.000 0.821 246 L CB 1.521 43.160 42.059 -0.699 0.000 1.279 246 L HN 0.944 nan 8.230 nan 0.000 0.412 247 C N 4.853 123.951 119.300 -0.336 0.000 2.498 247 C HA 0.666 5.206 4.460 0.134 0.000 0.316 247 C C 1.061 175.771 174.990 -0.467 0.000 1.209 247 C CA -0.111 58.719 59.018 -0.312 0.000 1.518 247 C CB 1.101 28.741 27.740 -0.165 0.000 2.147 247 C HN 0.849 nan 8.230 nan 0.000 0.483 248 V N 3.282 122.915 119.914 -0.469 0.000 3.578 248 V HA 0.664 4.864 4.120 0.134 0.000 0.290 248 V C 0.826 176.748 176.094 -0.287 0.000 1.376 248 V CA 0.755 62.694 62.300 -0.602 0.000 1.083 248 V CB -0.627 30.843 31.823 -0.589 0.000 0.911 248 V HN 2.120 nan 8.190 nan 0.000 0.433 249 G N -0.439 108.263 108.800 -0.164 0.000 2.719 249 G HA2 0.499 4.539 3.960 0.134 0.000 0.686 249 G HA3 0.499 4.539 3.960 0.134 0.000 0.686 249 G C -0.547 174.349 174.900 -0.006 0.000 1.201 249 G CA -0.230 44.787 45.100 -0.139 0.000 0.768 249 G HN 2.066 nan 8.290 nan 0.000 0.629 250 A N 0.546 123.475 122.820 0.181 0.000 2.608 250 A HA 0.985 5.385 4.320 0.134 0.000 0.292 250 A C -0.235 177.604 177.584 0.425 0.000 1.066 250 A CA 0.403 52.581 52.037 0.235 0.000 0.676 250 A CB 0.500 19.635 19.000 0.224 0.000 1.277 250 A HN 2.354 nan 8.150 nan 0.000 0.413 251 F N -0.672 119.469 119.950 0.320 0.000 2.423 251 F HA -0.119 4.488 4.527 0.133 0.000 0.403 251 F C -2.159 173.737 175.800 0.159 0.000 1.142 251 F CA 0.589 58.706 58.000 0.196 0.000 1.321 251 F CB -1.276 37.860 39.000 0.225 0.000 1.934 251 F HN 0.414 nan 8.300 nan 0.000 0.782 252 P HA 0.043 nan 4.420 nan 0.000 0.263 252 P C 0.514 177.816 177.300 0.004 0.000 1.195 252 P CA 0.271 63.320 63.100 -0.084 0.000 0.762 252 P CB 0.914 32.572 31.700 -0.070 0.000 0.799 253 L N 1.671 122.874 121.223 -0.035 0.000 2.585 253 L HA 0.119 4.539 4.340 0.134 0.000 0.226 253 L C 0.808 177.682 176.870 0.007 0.000 1.113 253 L CA 0.435 55.308 54.840 0.055 0.000 0.876 253 L CB -0.251 41.840 42.059 0.053 0.000 1.072 253 L HN 0.453 nan 8.230 nan 0.000 0.468 254 D N -3.539 116.834 120.400 -0.045 0.000 2.744 254 D HA 0.087 4.807 4.640 0.134 0.000 0.304 254 D C -0.197 176.075 176.300 -0.048 0.000 1.179 254 D CA -0.778 53.200 54.000 -0.036 0.000 1.024 254 D CB 0.317 41.097 40.800 -0.033 0.000 1.453 254 D HN -0.213 nan 8.370 nan 0.000 0.529 255 N N -1.405 117.274 118.700 -0.034 0.000 2.370 255 N HA 0.099 4.919 4.740 0.134 0.000 0.198 255 N C 0.222 175.721 175.510 -0.018 0.000 1.156 255 N CA 0.227 53.260 53.050 -0.029 0.000 0.839 255 N CB 0.275 38.749 38.487 -0.023 0.000 0.989 255 N HN 0.405 nan 8.380 nan 0.000 0.468 256 S N -1.505 114.183 115.700 -0.021 0.000 2.650 256 S HA 0.319 4.869 4.470 0.134 0.000 0.240 256 S C 1.375 175.980 174.600 0.008 0.000 1.007 256 S CA -0.069 58.130 58.200 -0.002 0.000 0.984 256 S CB 0.464 63.665 63.200 0.002 0.000 0.910 256 S HN 0.267 nan 8.310 nan 0.000 0.509 257 G N 1.827 110.617 108.800 -0.016 0.000 2.166 257 G HA2 -0.346 3.695 3.960 0.134 0.000 0.260 257 G HA3 -0.346 3.695 3.960 0.134 0.000 0.260 257 G C 0.673 175.615 174.900 0.069 0.000 0.986 257 G CA 1.021 46.135 45.100 0.023 0.000 0.683 257 G HN 0.563 nan 8.290 nan 0.000 0.527 258 K N -0.173 120.227 120.400 -0.001 0.000 2.035 258 K HA 0.172 4.572 4.320 0.134 0.000 0.213 258 K C 1.174 177.812 176.600 0.063 0.000 1.027 258 K CA 0.614 56.934 56.287 0.056 0.000 0.950 258 K CB 0.054 32.571 32.500 0.029 0.000 0.790 258 K HN 0.227 nan 8.250 nan 0.000 0.448 259 K N 1.492 121.872 120.400 -0.033 0.000 2.174 259 K HA 0.227 4.627 4.320 0.134 0.000 0.275 259 K C -0.806 175.709 176.600 -0.141 0.000 1.015 259 K CA -0.077 56.218 56.287 0.014 0.000 0.933 259 K CB 1.164 33.675 32.500 0.017 0.000 1.025 259 K HN 0.228 nan 8.250 nan 0.000 0.463 260 H N 0.446 119.563 119.070 0.078 0.000 2.821 260 H HA 0.099 4.735 4.556 0.134 0.000 0.373 260 H C 0.509 175.884 175.328 0.078 0.000 1.165 260 H CA -0.710 55.407 56.048 0.114 0.000 1.154 260 H CB 1.553 31.398 29.762 0.138 0.000 1.765 260 H HN 0.359 nan 8.280 nan 0.000 0.549 261 L N 0.741 122.078 121.223 0.190 0.000 2.012 261 L HA -0.007 4.413 4.340 0.134 0.000 0.210 261 L C -0.300 176.448 176.870 -0.204 0.000 1.073 261 L CA 1.896 56.676 54.840 -0.100 0.000 0.748 261 L CB -0.172 41.721 42.059 -0.277 0.000 0.891 261 L HN 0.412 nan 8.230 nan 0.000 0.431 262 F N 0.404 120.527 119.950 0.290 0.000 2.402 262 F HA 0.420 5.028 4.527 0.135 0.000 0.355 262 F C 0.302 176.168 175.800 0.110 0.000 1.123 262 F CA -1.020 57.087 58.000 0.180 0.000 1.021 262 F CB 0.743 39.848 39.000 0.176 0.000 1.160 262 F HN -0.179 nan 8.300 nan 0.000 0.451 263 M N 5.703 125.442 119.600 0.232 0.000 2.249 263 M HA 0.334 4.894 4.480 0.134 0.000 0.351 263 M C -2.298 174.034 176.300 0.053 0.000 1.180 263 M CA -2.592 52.783 55.300 0.124 0.000 1.127 263 M CB 0.909 33.574 32.600 0.108 0.000 1.546 263 M HN 0.243 nan 8.290 nan 0.000 0.461 264 P HA 0.554 nan 4.420 nan 0.000 0.276 264 P C -0.376 176.927 177.300 0.005 0.000 1.244 264 P CA -0.089 62.980 63.100 -0.052 0.000 0.801 264 P CB 1.146 32.813 31.700 -0.055 0.000 1.006 265 G N -0.681 108.107 108.800 -0.020 0.000 2.387 265 G HA2 0.450 4.491 3.960 0.134 0.000 0.294 265 G HA3 0.450 4.491 3.960 0.134 0.000 0.294 265 G C -2.062 172.826 174.900 -0.019 0.000 1.509 265 G CA -0.455 44.665 45.100 0.033 0.000 0.806 265 G HN 0.382 nan 8.290 nan 0.000 0.546 266 V N 0.322 120.246 119.914 0.016 0.000 2.735 266 V HA 0.710 4.910 4.120 0.134 0.000 0.310 266 V C -1.270 174.916 176.094 0.153 0.000 1.061 266 V CA -0.800 61.485 62.300 -0.025 0.000 0.913 266 V CB 1.899 33.602 31.823 -0.200 0.000 1.005 266 V HN 0.866 nan 8.190 nan 0.000 0.428 267 Y N 2.932 123.271 120.300 0.064 0.000 2.361 267 Y HA 0.815 5.445 4.550 0.133 0.000 0.337 267 Y C -0.256 175.694 175.900 0.082 0.000 0.965 267 Y CA -0.411 57.777 58.100 0.146 0.000 1.091 267 Y CB 1.681 40.344 38.460 0.339 0.000 1.182 267 Y HN 0.860 nan 8.280 nan 0.000 0.450 268 A N 4.981 127.576 122.820 -0.375 0.000 2.555 268 A HA 0.540 4.941 4.320 0.134 0.000 0.297 268 A C -0.676 176.693 177.584 -0.358 0.000 1.060 268 A CA -0.883 50.974 52.037 -0.300 0.000 0.710 268 A CB 0.932 19.881 19.000 -0.084 0.000 1.282 268 A HN 0.834 nan 8.150 nan 0.000 0.399 269 K N 1.032 121.252 120.400 -0.299 0.000 3.096 269 K HA -0.216 4.185 4.320 0.134 0.000 0.266 269 K C 1.025 177.474 176.600 -0.251 0.000 1.043 269 K CA 1.268 57.435 56.287 -0.201 0.000 0.758 269 K CB -1.787 30.651 32.500 -0.104 0.000 1.260 269 K HN 2.571 nan 8.250 nan 0.000 0.481 270 G N -0.206 108.325 108.800 -0.449 0.000 2.179 270 G HA2 -0.346 3.694 3.960 0.134 0.000 0.260 270 G HA3 -0.346 3.694 3.960 0.134 0.000 0.260 270 G C -0.084 174.670 174.900 -0.243 0.000 0.977 270 G CA 0.876 45.815 45.100 -0.268 0.000 0.641 270 G HN 0.341 nan 8.290 nan 0.000 0.533 271 K N 0.658 120.811 120.400 -0.412 0.000 2.324 271 K HA 0.406 4.806 4.320 0.134 0.000 0.253 271 K C -1.156 175.410 176.600 -0.057 0.000 0.932 271 K CA -0.846 55.364 56.287 -0.129 0.000 0.799 271 K CB 1.283 33.736 32.500 -0.078 0.000 1.154 271 K HN 0.105 nan 8.250 nan 0.000 0.425 272 D N 4.636 125.109 120.400 0.120 0.000 2.225 272 D HA 0.304 5.024 4.640 0.134 0.000 0.248 272 D C 0.091 176.454 176.300 0.106 0.000 1.096 272 D CA 0.063 54.171 54.000 0.179 0.000 0.863 272 D CB 1.189 42.108 40.800 0.198 0.000 1.156 272 D HN 0.419 nan 8.370 nan 0.000 0.450 273 M N -0.413 119.251 119.600 0.106 0.000 2.631 273 M HA 0.578 5.138 4.480 0.134 0.000 0.288 273 M C -3.133 173.227 176.300 0.100 0.000 1.260 273 M CA -2.119 53.237 55.300 0.094 0.000 0.842 273 M CB 1.893 34.553 32.600 0.101 0.000 1.743 273 M HN -0.205 nan 8.290 nan 0.000 0.461 274 P HA 0.246 nan 4.420 nan 0.000 0.274 274 P C -1.357 176.035 177.300 0.153 0.000 1.231 274 P CA -0.096 63.067 63.100 0.105 0.000 0.790 274 P CB 0.304 32.049 31.700 0.074 0.000 0.951 275 F N 2.453 122.396 119.950 -0.011 0.000 2.424 275 F HA 0.335 4.942 4.527 0.134 0.000 0.356 275 F C -0.156 175.695 175.800 0.086 0.000 1.110 275 F CA -0.560 57.432 58.000 -0.013 0.000 1.161 275 F CB 0.284 39.205 39.000 -0.132 0.000 1.115 275 F HN 0.113 nan 8.300 nan 0.000 0.507 276 D N 8.974 129.057 120.400 -0.528 0.000 2.440 276 D HA 0.335 5.055 4.640 0.134 0.000 0.252 276 D C -2.061 173.862 176.300 -0.628 0.000 1.180 276 D CA -2.592 51.109 54.000 -0.498 0.000 0.894 276 D CB 1.855 42.560 40.800 -0.159 0.000 1.111 276 D HN 0.259 nan 8.370 nan 0.000 0.544 277 P HA -0.146 nan 4.420 nan 0.000 0.225 277 P C 1.118 178.510 177.300 0.153 0.000 1.148 277 P CA 0.670 63.692 63.100 -0.130 0.000 0.779 277 P CB 0.093 32.000 31.700 0.346 0.000 0.780 278 S N -0.518 115.167 115.700 -0.025 0.000 2.507 278 S HA -0.051 4.499 4.470 0.134 0.000 0.235 278 S C 1.662 176.205 174.600 -0.094 0.000 0.988 278 S CA 0.547 58.708 58.200 -0.066 0.000 0.944 278 S CB -0.745 62.400 63.200 -0.092 0.000 0.762 278 S HN 0.090 nan 8.310 nan 0.000 0.526 279 K N 0.755 121.066 120.400 -0.148 0.000 2.459 279 K HA 0.292 4.692 4.320 0.134 0.000 0.193 279 K C 0.309 176.826 176.600 -0.138 0.000 1.030 279 K CA 0.044 56.151 56.287 -0.300 0.000 1.026 279 K CB -0.141 31.865 32.500 -0.823 0.000 0.809 279 K HN 0.525 nan 8.250 nan 0.000 0.504 280 I N 2.231 122.879 120.570 0.130 0.000 2.471 280 I HA 0.019 4.269 4.170 0.134 0.000 0.286 280 I C 0.122 176.311 176.117 0.120 0.000 1.079 280 I CA 0.245 61.736 61.300 0.319 0.000 1.398 280 I CB 0.474 38.838 38.000 0.607 0.000 1.403 280 I HN -0.174 nan 8.210 nan 0.000 0.530 281 K N 5.972 126.403 120.400 0.052 0.000 2.469 281 K HA 0.515 4.915 4.320 0.134 0.000 0.254 281 K C -1.179 175.286 176.600 -0.225 0.000 0.939 281 K CA -0.864 55.328 56.287 -0.159 0.000 0.812 281 K CB 2.479 34.796 32.500 -0.305 0.000 1.301 281 K HN 0.469 nan 8.250 nan 0.000 0.433 282 E N 1.941 121.953 120.200 -0.313 0.000 2.145 282 E HA 0.238 4.669 4.350 0.134 0.000 0.270 282 E C -1.193 175.196 176.600 -0.352 0.000 0.906 282 E CA -0.648 55.598 56.400 -0.257 0.000 0.761 282 E CB 1.183 30.778 29.700 -0.176 0.000 1.116 282 E HN 0.332 nan 8.360 nan 0.000 0.408 283 Y N 0.596 120.865 120.300 -0.051 0.000 2.376 283 Y HA 0.166 4.795 4.550 0.133 0.000 0.325 283 Y C 1.188 177.070 175.900 -0.031 0.000 1.199 283 Y CA -0.508 57.574 58.100 -0.031 0.000 1.206 283 Y CB 1.389 39.846 38.460 -0.006 0.000 1.229 283 Y HN 0.382 nan 8.280 nan 0.000 0.480 284 V N -1.020 118.972 119.914 0.130 0.000 3.330 284 V HA 0.226 4.426 4.120 0.134 0.000 0.309 284 V C 1.370 177.458 176.094 -0.010 0.000 1.481 284 V CA -0.163 62.184 62.300 0.078 0.000 1.068 284 V CB 0.266 32.158 31.823 0.114 0.000 0.935 284 V HN 0.812 nan 8.190 nan 0.000 0.453 285 K N 0.897 121.259 120.400 -0.063 0.000 2.074 285 K HA -0.166 4.234 4.320 0.134 0.000 0.209 285 K C 1.319 177.588 176.600 -0.552 0.000 1.048 285 K CA 2.499 58.598 56.287 -0.313 0.000 0.926 285 K CB -0.290 31.954 32.500 -0.427 0.000 0.713 285 K HN 0.634 nan 8.250 nan 0.000 0.444 286 Y N 0.464 120.671 120.300 -0.156 0.000 2.532 286 Y HA 0.255 4.886 4.550 0.135 0.000 0.283 286 Y C -0.023 175.517 175.900 -0.600 0.000 1.181 286 Y CA -0.466 57.426 58.100 -0.347 0.000 1.256 286 Y CB 0.665 38.910 38.460 -0.357 0.000 1.112 286 Y HN -0.122 nan 8.280 nan 0.000 0.521 287 S N -1.083 114.422 115.700 -0.324 0.000 2.566 287 S HA 0.230 4.780 4.470 0.134 0.000 0.298 287 S C -0.781 173.626 174.600 -0.323 0.000 1.083 287 S CA -0.838 57.164 58.200 -0.330 0.000 0.978 287 S CB 0.983 64.225 63.200 0.071 0.000 1.073 287 S HN 0.257 nan 8.310 nan 0.000 0.491 288 W N 3.144 124.163 121.300 -0.468 0.000 1.395 288 W HA 0.398 5.133 4.660 0.125 0.000 0.451 288 W C -1.192 174.735 176.519 -0.986 0.000 0.619 288 W CA -0.814 56.130 57.345 -0.668 0.000 2.212 288 W CB -1.321 27.599 29.460 -0.901 0.000 1.537 288 W HN 0.398 nan 8.180 nan 0.000 0.275 289 F N 0.134 120.117 119.950 0.056 0.000 2.626 289 F HA 0.566 5.173 4.527 0.133 0.000 0.311 289 F C 0.448 176.252 175.800 0.006 0.000 1.088 289 F CA -1.820 56.194 58.000 0.023 0.000 0.949 289 F CB 0.341 39.346 39.000 0.008 0.000 1.322 289 F HN -0.095 nan 8.300 nan 0.000 0.461 290 A N 1.224 124.159 122.820 0.192 0.000 2.520 290 A HA 0.225 4.625 4.320 0.134 0.000 0.245 290 A C 1.309 178.939 177.584 0.077 0.000 1.072 290 A CA -0.127 51.968 52.037 0.096 0.000 0.761 290 A CB 0.228 19.276 19.000 0.080 0.000 1.004 290 A HN 0.865 nan 8.150 nan 0.000 0.499 291 E N 1.513 121.736 120.200 0.038 0.000 2.130 291 E HA -0.226 4.204 4.350 0.134 0.000 0.196 291 E C 1.891 178.502 176.600 0.018 0.000 0.998 291 E CA 1.944 58.353 56.400 0.016 0.000 0.806 291 E CB -0.026 29.670 29.700 -0.006 0.000 0.738 291 E HN 0.823 nan 8.360 nan 0.000 0.459 292 E N -0.238 119.974 120.200 0.019 0.000 2.472 292 E HA -0.117 4.313 4.350 0.134 0.000 0.200 292 E C 1.194 177.797 176.600 0.005 0.000 1.046 292 E CA 1.454 57.860 56.400 0.011 0.000 0.871 292 E CB -0.537 29.169 29.700 0.010 0.000 0.806 292 E HN 0.323 nan 8.360 nan 0.000 0.533 293 T N -2.436 112.126 114.554 0.013 0.000 3.107 293 T HA 0.065 4.496 4.350 0.134 0.000 0.249 293 T C 0.845 175.520 174.700 -0.042 0.000 1.096 293 T CA 0.000 62.096 62.100 -0.007 0.000 1.012 293 T CB -0.006 68.868 68.868 0.011 0.000 0.977 293 T HN 0.003 nan 8.240 nan 0.000 0.527 294 T N 1.340 115.878 114.554 -0.028 0.000 2.918 294 T HA 0.438 4.869 4.350 0.134 0.000 0.302 294 T C 1.361 175.974 174.700 -0.145 0.000 1.045 294 T CA 0.986 63.057 62.100 -0.047 0.000 1.114 294 T CB -0.170 68.726 68.868 0.046 0.000 0.965 294 T HN 0.927 nan 8.240 nan 0.000 0.540 295 G N 3.216 111.785 108.800 -0.385 0.000 2.176 295 G HA2 -0.188 3.852 3.960 0.134 0.000 0.252 295 G HA3 -0.188 3.852 3.960 0.134 0.000 0.252 295 G C -0.030 174.640 174.900 -0.383 0.000 1.024 295 G CA 0.176 44.890 45.100 -0.642 0.000 0.755 295 G HN 0.731 nan 8.290 nan 0.000 0.507 296 L N 0.603 121.651 121.223 -0.292 0.000 2.307 296 L HA 0.353 4.773 4.340 0.134 0.000 0.282 296 L C 1.086 177.835 176.870 -0.201 0.000 1.051 296 L CA -0.970 53.747 54.840 -0.205 0.000 0.804 296 L CB 1.140 43.108 42.059 -0.151 0.000 1.197 296 L HN 0.313 nan 8.230 nan 0.000 0.431 297 N N 1.719 120.296 118.700 -0.206 0.000 2.416 297 N HA -0.125 4.695 4.740 0.134 0.000 0.246 297 N C 0.862 176.206 175.510 -0.276 0.000 1.260 297 N CA 0.074 52.978 53.050 -0.243 0.000 0.897 297 N CB 0.802 39.080 38.487 -0.348 0.000 1.110 297 N HN 0.583 nan 8.380 nan 0.000 0.439 298 Y N 1.652 121.873 120.300 -0.132 0.000 2.333 298 Y HA -0.014 4.616 4.550 0.133 0.000 0.290 298 Y C 1.817 177.508 175.900 -0.348 0.000 1.144 298 Y CA 0.902 58.906 58.100 -0.160 0.000 1.228 298 Y CB -0.236 38.174 38.460 -0.083 0.000 0.985 298 Y HN 0.443 nan 8.280 nan 0.000 0.542 299 K N 0.342 120.168 120.400 -0.957 0.000 2.288 299 K HA -0.062 4.338 4.320 0.134 0.000 0.201 299 K C 0.600 176.888 176.600 -0.520 0.000 1.048 299 K CA 1.190 56.803 56.287 -1.123 0.000 0.956 299 K CB 0.022 31.947 32.500 -0.959 0.000 0.746 299 K HN 0.500 nan 8.250 nan 0.000 0.461 300 E N 0.204 120.207 120.200 -0.329 0.000 2.734 300 E HA 0.096 4.526 4.350 0.134 0.000 0.211 300 E C 0.391 176.931 176.600 -0.100 0.000 0.991 300 E CA -0.161 56.143 56.400 -0.160 0.000 1.065 300 E CB 0.773 30.381 29.700 -0.154 0.000 1.047 300 E HN 0.135 nan 8.360 nan 0.000 0.470 301 G N 1.363 110.114 108.800 -0.082 0.000 2.491 301 G HA2 0.240 4.280 3.960 0.134 0.000 0.242 301 G HA3 0.240 4.280 3.960 0.134 0.000 0.242 301 G C -0.213 174.688 174.900 0.003 0.000 1.266 301 G CA -0.084 44.997 45.100 -0.032 0.000 0.844 301 G HN -0.062 nan 8.290 nan 0.000 0.571 302 K N 0.491 120.881 120.400 -0.017 0.000 2.464 302 K HA 0.512 4.912 4.320 0.134 0.000 0.253 302 K C -1.009 175.582 176.600 -0.015 0.000 0.933 302 K CA -0.654 55.638 56.287 0.008 0.000 0.801 302 K CB 2.470 34.975 32.500 0.008 0.000 1.271 302 K HN 0.375 nan 8.250 nan 0.000 0.430 303 T N 2.809 117.387 114.554 0.041 0.000 2.991 303 T HA 0.439 4.869 4.350 0.134 0.000 0.347 303 T C -0.485 174.329 174.700 0.190 0.000 1.122 303 T CA -0.479 61.654 62.100 0.054 0.000 1.062 303 T CB -0.179 68.757 68.868 0.113 0.000 1.043 303 T HN 0.348 nan 8.240 nan 0.000 0.491 304 I N 5.493 126.211 120.570 0.247 0.000 2.437 304 I HA 0.308 4.558 4.170 0.134 0.000 0.279 304 I C -2.308 173.998 176.117 0.316 0.000 1.028 304 I CA -2.581 58.860 61.300 0.235 0.000 1.142 304 I CB 1.938 40.022 38.000 0.139 0.000 1.266 304 I HN 0.222 nan 8.210 nan 0.000 0.461 305 P HA 0.155 nan 4.420 nan 0.000 0.271 305 P C -0.532 176.712 177.300 -0.092 0.000 1.216 305 P CA -0.246 62.791 63.100 -0.105 0.000 0.771 305 P CB 1.313 32.827 31.700 -0.309 0.000 0.864 306 A N 5.015 127.735 122.820 -0.167 0.000 3.082 306 A HA 0.424 4.825 4.320 0.134 0.000 0.328 306 A C -1.725 175.801 177.584 -0.096 0.000 1.089 306 A CA -1.098 50.894 52.037 -0.075 0.000 0.802 306 A CB 0.617 19.613 19.000 -0.007 0.000 1.138 306 A HN 0.291 nan 8.150 nan 0.000 0.474 307 P HA -0.069 nan 4.420 nan 0.000 0.226 307 P C 0.108 177.127 177.300 -0.468 0.000 1.153 307 P CA 1.065 63.882 63.100 -0.471 0.000 0.777 307 P CB 0.340 31.852 31.700 -0.315 0.000 0.794 308 D N -0.568 119.721 120.400 -0.186 0.000 2.339 308 D HA 0.014 4.734 4.640 0.134 0.000 0.217 308 D C 0.747 177.057 176.300 0.017 0.000 1.050 308 D CA 0.160 54.102 54.000 -0.096 0.000 0.856 308 D CB -0.067 40.694 40.800 -0.065 0.000 0.922 308 D HN 0.232 nan 8.370 nan 0.000 0.518 309 K N 1.490 121.945 120.400 0.091 0.000 2.447 309 K HA 0.209 4.609 4.320 0.134 0.000 0.281 309 K C 0.013 176.684 176.600 0.119 0.000 1.031 309 K CA -0.261 56.085 56.287 0.098 0.000 1.019 309 K CB 0.602 33.150 32.500 0.080 0.000 0.918 309 K HN -0.087 nan 8.250 nan 0.000 0.476 310 A N 3.379 126.234 122.820 0.059 0.000 2.531 310 A HA 0.325 4.725 4.320 0.134 0.000 0.236 310 A C 1.314 178.921 177.584 0.038 0.000 1.062 310 A CA 0.744 52.814 52.037 0.055 0.000 0.760 310 A CB -0.335 18.682 19.000 0.028 0.000 0.995 310 A HN 1.102 nan 8.150 nan 0.000 0.501 311 G N 0.825 109.670 108.800 0.075 0.000 2.347 311 G HA2 0.056 4.097 3.960 0.134 0.000 0.247 311 G HA3 0.056 4.097 3.960 0.134 0.000 0.247 311 G C 0.797 175.771 174.900 0.122 0.000 1.037 311 G CA 0.794 45.952 45.100 0.098 0.000 0.622 311 G HN 2.270 nan 8.290 nan 0.000 0.521 312 A N -0.163 122.636 122.820 -0.035 0.000 2.366 312 A HA 0.706 5.106 4.320 0.134 0.000 0.249 312 A C 0.339 177.623 177.584 -0.499 0.000 1.084 312 A CA 1.081 52.908 52.037 -0.351 0.000 0.794 312 A CB 0.291 18.901 19.000 -0.650 0.000 1.034 312 A HN 1.785 nan 8.150 nan 0.000 0.491 313 Y N -1.127 118.597 120.300 -0.959 0.000 2.890 313 Y HA 0.588 5.219 4.550 0.135 0.000 0.266 313 Y C -0.088 175.094 175.900 -1.198 0.000 1.090 313 Y CA 0.018 57.596 58.100 -0.870 0.000 1.258 313 Y CB -0.208 38.078 38.460 -0.290 0.000 1.346 313 Y HN 0.665 nan 8.280 nan 0.000 0.578 314 S N -0.434 114.181 115.700 -1.809 0.000 2.537 314 S HA 0.445 4.995 4.470 0.134 0.000 0.271 314 S C -0.889 173.320 174.600 -0.651 0.000 1.148 314 S CA -0.559 57.073 58.200 -0.947 0.000 0.868 314 S CB 0.225 63.132 63.200 -0.488 0.000 1.115 314 S HN 0.150 nan 8.310 nan 0.000 0.461 315 F N 1.885 121.931 119.950 0.159 0.000 2.797 315 F HA 0.262 4.867 4.527 0.131 0.000 0.302 315 F C 0.812 176.810 175.800 0.331 0.000 1.130 315 F CA 0.080 58.236 58.000 0.260 0.000 1.387 315 F CB 0.264 39.475 39.000 0.351 0.000 1.107 315 F HN 0.266 nan 8.300 nan 0.000 0.577 316 V N 1.632 121.715 119.914 0.283 0.000 2.488 316 V HA 0.075 4.275 4.120 0.134 0.000 0.277 316 V C 0.559 176.728 176.094 0.125 0.000 1.046 316 V CA -1.279 61.127 62.300 0.176 0.000 0.986 316 V CB 0.510 32.388 31.823 0.093 0.000 0.989 316 V HN 0.087 nan 8.190 nan 0.000 0.475 317 K N 2.897 123.343 120.400 0.077 0.000 2.187 317 K HA 0.536 4.936 4.320 0.134 0.000 0.247 317 K C 0.187 176.768 176.600 -0.030 0.000 1.019 317 K CA -0.085 56.197 56.287 -0.009 0.000 0.893 317 K CB 0.475 32.892 32.500 -0.140 0.000 1.025 317 K HN 0.791 nan 8.250 nan 0.000 0.500 318 A N 3.167 125.984 122.820 -0.005 0.000 2.511 318 A HA 0.313 4.713 4.320 0.134 0.000 0.340 318 A C -2.364 175.230 177.584 0.016 0.000 1.396 318 A CA -1.672 50.378 52.037 0.022 0.000 0.887 318 A CB 0.083 19.142 19.000 0.098 0.000 1.145 318 A HN 0.336 nan 8.150 nan 0.000 0.497 319 P HA 0.373 nan 4.420 nan 0.000 0.281 319 P C -0.876 176.390 177.300 -0.056 0.000 1.252 319 P CA -0.134 62.764 63.100 -0.337 0.000 0.778 319 P CB 1.114 32.145 31.700 -1.114 0.000 0.895 320 R N 2.598 123.214 120.500 0.193 0.000 2.686 320 R HA 0.353 4.773 4.340 0.134 0.000 0.286 320 R C -1.029 175.573 176.300 0.502 0.000 0.969 320 R CA -0.895 55.439 56.100 0.391 0.000 0.898 320 R CB 1.544 32.046 30.300 0.337 0.000 1.183 320 R HN 0.532 nan 8.270 nan 0.000 0.456 321 Y N 2.427 122.984 120.300 0.429 0.000 2.434 321 Y HA 0.103 4.733 4.550 0.133 0.000 0.341 321 Y C 0.107 176.122 175.900 0.191 0.000 0.965 321 Y CA -0.136 58.168 58.100 0.340 0.000 1.205 321 Y CB 0.567 39.206 38.460 0.298 0.000 1.121 321 Y HN 0.764 nan 8.280 nan 0.000 0.507 322 D N 4.672 124.928 120.400 -0.240 0.000 2.772 322 D HA -0.208 4.512 4.640 0.134 0.000 0.233 322 D C 1.116 177.425 176.300 0.013 0.000 1.143 322 D CA 1.864 55.767 54.000 -0.162 0.000 0.700 322 D CB -1.180 39.497 40.800 -0.204 0.000 1.076 322 D HN 1.227 nan 8.370 nan 0.000 0.430 323 G N -1.559 107.293 108.800 0.086 0.000 2.184 323 G HA2 -0.318 3.722 3.960 0.134 0.000 0.264 323 G HA3 -0.318 3.722 3.960 0.134 0.000 0.264 323 G C 0.428 175.360 174.900 0.052 0.000 0.975 323 G CA 0.508 45.658 45.100 0.083 0.000 0.642 323 G HN 0.550 nan 8.290 nan 0.000 0.536 324 L N 0.979 122.267 121.223 0.108 0.000 2.334 324 L HA 0.621 5.041 4.340 0.134 0.000 0.277 324 L C 0.832 177.730 176.870 0.046 0.000 1.075 324 L CA -0.478 54.380 54.840 0.031 0.000 0.804 324 L CB 1.851 43.964 42.059 0.091 0.000 1.174 324 L HN 0.137 nan 8.230 nan 0.000 0.438 325 S N 3.772 119.340 115.700 -0.219 0.000 2.430 325 S HA 0.606 5.156 4.470 0.134 0.000 0.289 325 S C -0.493 174.052 174.600 -0.092 0.000 1.143 325 S CA -0.530 57.568 58.200 -0.170 0.000 1.067 325 S CB 0.023 62.968 63.200 -0.424 0.000 0.964 325 S HN 0.390 nan 8.310 nan 0.000 0.485 326 L N 4.154 125.497 121.223 0.200 0.000 2.341 326 L HA 0.626 5.046 4.340 0.134 0.000 0.267 326 L C 0.070 177.105 176.870 0.275 0.000 1.009 326 L CA -0.821 54.128 54.840 0.182 0.000 0.819 326 L CB 2.121 44.192 42.059 0.020 0.000 1.323 326 L HN 0.697 nan 8.230 nan 0.000 0.425 327 E N 1.399 121.754 120.200 0.259 0.000 2.249 327 E HA 0.728 5.158 4.350 0.134 0.000 0.263 327 E C -1.282 175.396 176.600 0.130 0.000 0.950 327 E CA -0.710 55.865 56.400 0.292 0.000 0.827 327 E CB 2.474 32.444 29.700 0.451 0.000 1.220 327 E HN 0.358 nan 8.360 nan 0.000 0.411 328 V N -2.553 117.441 119.914 0.133 0.000 3.160 328 V HA 0.949 5.149 4.120 0.134 0.000 0.310 328 V C 0.207 176.310 176.094 0.015 0.000 1.181 328 V CA 0.037 62.336 62.300 -0.002 0.000 1.047 328 V CB 0.832 32.625 31.823 -0.050 0.000 1.068 328 V HN 1.280 nan 8.190 nan 0.000 0.441 329 G N 0.895 109.656 108.800 -0.066 0.000 2.353 329 G HA2 0.150 4.190 3.960 0.134 0.000 0.615 329 G HA3 0.150 4.190 3.960 0.134 0.000 0.615 329 G C -2.703 172.094 174.900 -0.170 0.000 1.280 329 G CA 0.046 45.090 45.100 -0.092 0.000 1.000 329 G HN 0.687 nan 8.290 nan 0.000 0.516 330 P HA -0.066 nan 4.420 nan 0.000 0.215 330 P C 2.321 179.449 177.300 -0.288 0.000 1.157 330 P CA 1.637 64.608 63.100 -0.215 0.000 0.874 330 P CB 0.072 31.643 31.700 -0.214 0.000 0.790 331 L N -0.106 120.949 121.223 -0.280 0.000 1.997 331 L HA -0.231 4.189 4.340 0.134 0.000 0.216 331 L C 2.269 178.957 176.870 -0.304 0.000 1.074 331 L CA 2.542 57.198 54.840 -0.307 0.000 0.763 331 L CB -1.615 40.204 42.059 -0.399 0.000 0.890 331 L HN -0.075 nan 8.230 nan 0.000 0.434 332 A N -0.607 122.066 122.820 -0.246 0.000 1.908 332 A HA -0.234 4.166 4.320 0.134 0.000 0.218 332 A C 2.424 179.930 177.584 -0.129 0.000 1.181 332 A CA 1.972 53.933 52.037 -0.127 0.000 0.627 332 A CB -0.594 18.351 19.000 -0.091 0.000 0.818 332 A HN 0.557 nan 8.150 nan 0.000 0.445 333 R N -1.362 118.993 120.500 -0.242 0.000 2.073 333 R HA -0.078 4.342 4.340 0.134 0.000 0.234 333 R C 2.196 178.325 176.300 -0.286 0.000 1.134 333 R CA 1.589 57.511 56.100 -0.296 0.000 0.952 333 R CB -0.353 29.595 30.300 -0.586 0.000 0.850 333 R HN 0.427 nan 8.270 nan 0.000 0.433 334 M N -0.550 118.775 119.600 -0.458 0.000 2.229 334 M HA -0.197 4.363 4.480 0.134 0.000 0.264 334 M C 1.982 177.881 176.300 -0.669 0.000 1.063 334 M CA 1.163 56.007 55.300 -0.760 0.000 1.114 334 M CB -0.895 30.851 32.600 -1.423 0.000 1.387 334 M HN 0.398 nan 8.290 nan 0.000 0.420 335 W N 0.977 121.956 121.300 -0.535 0.000 2.378 335 W HA -0.138 4.604 4.660 0.136 0.000 0.313 335 W C 1.998 178.430 176.519 -0.146 0.000 1.197 335 W CA 1.354 58.593 57.345 -0.177 0.000 1.304 335 W CB -0.327 29.052 29.460 -0.135 0.000 1.148 335 W HN -0.043 nan 8.180 nan 0.000 0.494 336 V N 2.032 121.947 119.914 0.001 0.000 2.252 336 V HA -0.398 3.802 4.120 0.134 0.000 0.249 336 V C 2.184 178.218 176.094 -0.101 0.000 1.056 336 V CA 2.417 64.704 62.300 -0.022 0.000 1.022 336 V CB -1.100 30.740 31.823 0.029 0.000 0.641 336 V HN 0.251 nan 8.190 nan 0.000 0.445 337 N N -0.263 118.371 118.700 -0.110 0.000 2.300 337 N HA -0.098 4.722 4.740 0.134 0.000 0.179 337 N C 0.767 176.184 175.510 -0.154 0.000 1.016 337 N CA 0.765 53.762 53.050 -0.089 0.000 0.876 337 N CB -0.205 38.272 38.487 -0.017 0.000 0.979 337 N HN 0.525 nan 8.380 nan 0.000 0.432 338 N N 0.797 119.356 118.700 -0.235 0.000 2.696 338 N HA -0.093 4.727 4.740 0.134 0.000 0.256 338 N C -2.697 172.730 175.510 -0.138 0.000 1.031 338 N CA 0.127 53.052 53.050 -0.207 0.000 0.730 338 N CB -0.411 37.924 38.487 -0.253 0.000 0.894 338 N HN 0.255 nan 8.380 nan 0.000 0.544 339 P HA 0.171 nan 4.420 nan 0.000 0.277 339 P C -0.137 177.138 177.300 -0.042 0.000 1.271 339 P CA -0.317 62.700 63.100 -0.139 0.000 0.795 339 P CB 0.563 32.044 31.700 -0.365 0.000 1.101 340 E N 0.115 120.318 120.200 0.004 0.000 2.529 340 E HA 0.036 4.467 4.350 0.134 0.000 0.259 340 E C -0.314 176.318 176.600 0.053 0.000 0.966 340 E CA 0.252 56.670 56.400 0.029 0.000 0.937 340 E CB -0.408 29.319 29.700 0.045 0.000 0.923 340 E HN 0.234 nan 8.360 nan 0.000 0.468 341 L N 3.365 124.610 121.223 0.036 0.000 2.483 341 L HA 0.066 4.486 4.340 0.134 0.000 0.275 341 L C 0.779 177.637 176.870 -0.021 0.000 1.220 341 L CA -0.019 54.841 54.840 0.033 0.000 0.833 341 L CB 0.465 42.516 42.059 -0.013 0.000 1.102 341 L HN 0.694 nan 8.230 nan 0.000 0.490 342 S N 2.256 117.903 115.700 -0.088 0.000 2.589 342 S HA 0.174 4.725 4.470 0.134 0.000 0.265 342 S C -1.722 172.685 174.600 -0.322 0.000 1.342 342 S CA -0.966 57.028 58.200 -0.343 0.000 1.005 342 S CB 0.594 63.329 63.200 -0.774 0.000 0.909 342 S HN 0.506 nan 8.310 nan 0.000 0.555 343 P HA 0.008 nan 4.420 nan 0.000 0.218 343 P C 1.623 178.766 177.300 -0.263 0.000 1.152 343 P CA 0.442 63.405 63.100 -0.229 0.000 0.826 343 P CB -0.244 31.366 31.700 -0.151 0.000 0.790 344 V N 0.859 120.571 119.914 -0.336 0.000 2.295 344 V HA -0.183 4.017 4.120 0.134 0.000 0.246 344 V C 2.803 178.631 176.094 -0.443 0.000 1.049 344 V CA 2.623 64.734 62.300 -0.314 0.000 1.024 344 V CB -1.850 29.810 31.823 -0.272 0.000 0.648 344 V HN 0.166 nan 8.190 nan 0.000 0.447 345 G N -0.545 107.953 108.800 -0.503 0.000 2.446 345 G HA2 -0.253 3.787 3.960 0.134 0.000 0.217 345 G HA3 -0.253 3.787 3.960 0.134 0.000 0.217 345 G C 1.652 176.207 174.900 -0.575 0.000 1.168 345 G CA 0.881 45.507 45.100 -0.791 0.000 0.771 345 G HN 0.465 nan 8.290 nan 0.000 0.551 346 K N 0.190 120.389 120.400 -0.334 0.000 2.063 346 K HA -0.092 4.308 4.320 0.134 0.000 0.208 346 K C 2.459 178.925 176.600 -0.223 0.000 1.048 346 K CA 1.280 57.427 56.287 -0.234 0.000 0.928 346 K CB -0.154 32.249 32.500 -0.162 0.000 0.713 346 K HN 0.249 nan 8.250 nan 0.000 0.442 347 K N 0.720 120.980 120.400 -0.232 0.000 2.025 347 K HA -0.129 4.271 4.320 0.134 0.000 0.207 347 K C 2.056 178.545 176.600 -0.184 0.000 1.049 347 K CA 0.907 57.087 56.287 -0.178 0.000 0.933 347 K CB 0.058 32.464 32.500 -0.157 0.000 0.714 347 K HN -0.047 nan 8.250 nan 0.000 0.438 348 L N 1.510 122.561 121.223 -0.287 0.000 2.093 348 L HA -0.091 4.329 4.340 0.134 0.000 0.208 348 L C 2.196 179.010 176.870 -0.093 0.000 1.085 348 L CA 1.246 55.946 54.840 -0.233 0.000 0.755 348 L CB -0.686 41.152 42.059 -0.368 0.000 0.904 348 L HN 0.200 nan 8.230 nan 0.000 0.435 349 L N -0.913 120.169 121.223 -0.234 0.000 2.013 349 L HA -0.277 4.143 4.340 0.134 0.000 0.212 349 L C 2.630 179.517 176.870 0.029 0.000 1.073 349 L CA 1.248 56.037 54.840 -0.085 0.000 0.753 349 L CB -0.538 41.384 42.059 -0.228 0.000 0.890 349 L HN 0.202 nan 8.230 nan 0.000 0.432 350 K N 0.483 120.855 120.400 -0.048 0.000 1.985 350 K HA -0.180 4.220 4.320 0.134 0.000 0.210 350 K C 1.684 178.277 176.600 -0.011 0.000 1.047 350 K CA 1.878 58.146 56.287 -0.031 0.000 0.932 350 K CB -0.454 32.011 32.500 -0.060 0.000 0.716 350 K HN 0.163 nan 8.250 nan 0.000 0.439 351 D N -0.185 120.199 120.400 -0.027 0.000 2.117 351 D HA -0.106 4.614 4.640 0.134 0.000 0.197 351 D C 1.742 178.018 176.300 -0.039 0.000 0.987 351 D CA 1.293 55.272 54.000 -0.034 0.000 0.829 351 D CB 0.050 40.822 40.800 -0.047 0.000 0.961 351 D HN 0.243 nan 8.370 nan 0.000 0.460 352 L N -1.927 119.285 121.223 -0.019 0.000 2.556 352 L HA 0.203 4.623 4.340 0.134 0.000 0.226 352 L C 1.083 177.752 176.870 -0.334 0.000 1.089 352 L CA 0.184 54.922 54.840 -0.170 0.000 0.864 352 L CB 0.203 42.134 42.059 -0.214 0.000 1.067 352 L HN -0.076 nan 8.230 nan 0.000 0.477 353 F N -0.798 119.106 119.950 -0.077 0.000 2.784 353 F HA 0.357 4.963 4.527 0.132 0.000 0.323 353 F C 1.654 177.401 175.800 -0.089 0.000 1.085 353 F CA 0.338 58.281 58.000 -0.095 0.000 1.196 353 F CB 0.726 39.643 39.000 -0.138 0.000 1.053 353 F HN 0.011 nan 8.300 nan 0.000 0.578 354 G N 1.917 110.769 108.800 0.086 0.000 2.143 354 G HA2 -0.297 3.743 3.960 0.134 0.000 0.248 354 G HA3 -0.297 3.743 3.960 0.134 0.000 0.248 354 G C 0.026 174.934 174.900 0.013 0.000 0.991 354 G CA 0.018 45.133 45.100 0.025 0.000 0.689 354 G HN 0.306 nan 8.290 nan 0.000 0.522 355 I N 1.796 122.375 120.570 0.015 0.000 2.354 355 I HA 0.430 4.680 4.170 0.134 0.000 0.292 355 I C 0.572 176.654 176.117 -0.058 0.000 0.989 355 I CA -0.551 60.727 61.300 -0.036 0.000 1.188 355 I CB 1.908 39.858 38.000 -0.083 0.000 1.342 355 I HN 0.253 nan 8.210 nan 0.000 0.457 356 S N 5.311 120.976 115.700 -0.058 0.000 2.420 356 S HA 0.833 5.383 4.470 0.134 0.000 0.313 356 S C -0.384 174.172 174.600 -0.073 0.000 1.079 356 S CA -0.649 57.512 58.200 -0.064 0.000 1.104 356 S CB 1.536 64.706 63.200 -0.050 0.000 0.969 356 S HN 0.710 nan 8.310 nan 0.000 0.471 357 A N 3.081 125.848 122.820 -0.089 0.000 2.454 357 A HA 0.792 5.192 4.320 0.134 0.000 0.302 357 A C 0.224 177.759 177.584 -0.082 0.000 1.079 357 A CA -0.920 51.062 52.037 -0.092 0.000 0.731 357 A CB 1.596 20.522 19.000 -0.123 0.000 1.299 357 A HN 0.780 nan 8.150 nan 0.000 0.413 358 K N 0.100 120.459 120.400 -0.069 0.000 2.412 358 K HA 0.192 4.593 4.320 0.134 0.000 0.201 358 K C -0.058 176.517 176.600 -0.042 0.000 1.275 358 K CA 0.519 56.774 56.287 -0.054 0.000 0.910 358 K CB 0.405 32.879 32.500 -0.044 0.000 1.346 358 K HN 0.588 nan 8.250 nan 0.000 0.490 359 K N 0.337 120.710 120.400 -0.046 0.000 2.221 359 K HA 0.220 4.620 4.320 0.134 0.000 0.243 359 K C 0.127 176.712 176.600 -0.024 0.000 0.968 359 K CA -0.543 55.727 56.287 -0.027 0.000 0.846 359 K CB 1.158 33.630 32.500 -0.047 0.000 1.141 359 K HN -0.149 nan 8.250 nan 0.000 0.434 360 F N 1.916 121.785 119.950 -0.136 0.000 2.111 360 F HA -0.262 4.344 4.527 0.132 0.000 0.300 360 F C 1.688 177.414 175.800 -0.123 0.000 1.088 360 F CA 1.839 59.767 58.000 -0.119 0.000 1.243 360 F CB 0.222 39.139 39.000 -0.137 0.000 0.996 360 F HN 0.426 nan 8.300 nan 0.000 0.483 361 R N -0.001 120.389 120.500 -0.182 0.000 2.316 361 R HA -0.100 4.320 4.340 0.134 0.000 0.202 361 R C 1.369 177.587 176.300 -0.137 0.000 1.029 361 R CA 0.832 56.702 56.100 -0.383 0.000 1.018 361 R CB -0.441 29.434 30.300 -0.708 0.000 0.888 361 R HN 0.328 nan 8.270 nan 0.000 0.471 362 D N 0.912 121.237 120.400 -0.126 0.000 2.263 362 D HA -0.108 4.612 4.640 0.134 0.000 0.208 362 D C 1.675 177.928 176.300 -0.078 0.000 0.971 362 D CA 0.902 54.851 54.000 -0.084 0.000 0.867 362 D CB 0.111 40.856 40.800 -0.091 0.000 0.929 362 D HN 0.240 nan 8.370 nan 0.000 0.492 363 L N -0.377 120.773 121.223 -0.122 0.000 2.313 363 L HA 0.136 4.556 4.340 0.134 0.000 0.214 363 L C 1.090 177.949 176.870 -0.019 0.000 1.119 363 L CA 0.373 55.131 54.840 -0.136 0.000 0.809 363 L CB -0.370 41.521 42.059 -0.280 0.000 0.933 363 L HN 0.040 nan 8.230 nan 0.000 0.449 364 G N 0.187 109.061 108.800 0.123 0.000 2.785 364 G HA2 -0.206 3.834 3.960 0.134 0.000 0.686 364 G HA3 -0.206 3.834 3.960 0.134 0.000 0.686 364 G C 0.238 175.280 174.900 0.237 0.000 1.155 364 G CA -0.077 45.147 45.100 0.207 0.000 0.760 364 G HN 0.203 nan 8.290 nan 0.000 0.624 365 E N 0.236 120.574 120.200 0.230 0.000 2.086 365 E HA -0.260 4.170 4.350 0.134 0.000 0.200 365 E C 2.099 178.698 176.600 -0.001 0.000 1.012 365 E CA 2.064 58.406 56.400 -0.096 0.000 0.812 365 E CB 0.022 29.697 29.700 -0.042 0.000 0.743 365 E HN 0.608 nan 8.360 nan 0.000 0.453 366 E N -0.025 120.197 120.200 0.037 0.000 2.058 366 E HA -0.165 4.265 4.350 0.134 0.000 0.194 366 E C 1.689 178.340 176.600 0.085 0.000 0.997 366 E CA 1.630 58.059 56.400 0.050 0.000 0.801 366 E CB -0.243 29.484 29.700 0.046 0.000 0.746 366 E HN 0.322 nan 8.360 nan 0.000 0.450 367 A N 0.148 123.013 122.820 0.076 0.000 2.016 367 A HA 0.181 4.581 4.320 0.134 0.000 0.217 367 A C 2.294 179.939 177.584 0.102 0.000 1.162 367 A CA 1.378 53.480 52.037 0.109 0.000 0.662 367 A CB -0.577 18.427 19.000 0.006 0.000 0.812 367 A HN 0.354 nan 8.150 nan 0.000 0.450 368 A N -0.738 122.092 122.820 0.017 0.000 1.873 368 A HA 0.144 4.544 4.320 0.134 0.000 0.215 368 A C 0.840 178.333 177.584 -0.153 0.000 1.186 368 A CA 0.599 52.587 52.037 -0.082 0.000 0.616 368 A CB -0.505 18.447 19.000 -0.079 0.000 0.823 368 A HN 0.413 nan 8.150 nan 0.000 0.442 369 F N 1.474 121.321 119.950 -0.173 0.000 2.573 369 F HA 0.354 4.960 4.527 0.132 0.000 0.349 369 F C 0.822 176.568 175.800 -0.090 0.000 1.213 369 F CA 0.286 58.192 58.000 -0.156 0.000 1.300 369 F CB 0.281 39.170 39.000 -0.184 0.000 1.661 369 F HN 0.223 nan 8.300 nan 0.000 0.616 370 S N 0.139 115.843 115.700 0.006 0.000 2.685 370 S HA 0.422 4.972 4.470 0.134 0.000 0.282 370 S C 0.490 175.019 174.600 -0.120 0.000 1.159 370 S CA -0.965 57.232 58.200 -0.005 0.000 0.833 370 S CB 1.353 64.576 63.200 0.038 0.000 1.151 370 S HN 0.406 nan 8.310 nan 0.000 0.485 371 L N 0.193 121.357 121.223 -0.098 0.000 1.971 371 L HA -0.100 4.320 4.340 0.134 0.000 0.215 371 L C 2.511 179.254 176.870 -0.212 0.000 1.072 371 L CA 2.196 56.965 54.840 -0.119 0.000 0.758 371 L CB -0.373 41.677 42.059 -0.015 0.000 0.889 371 L HN 0.892 nan 8.230 nan 0.000 0.433 372 M N -0.163 119.219 119.600 -0.364 0.000 2.319 372 M HA 0.003 4.563 4.480 0.134 0.000 0.265 372 M C 1.837 177.857 176.300 -0.466 0.000 1.068 372 M CA 1.546 56.527 55.300 -0.532 0.000 1.118 372 M CB -0.588 31.283 32.600 -1.216 0.000 1.395 372 M HN 0.278 nan 8.290 nan 0.000 0.435 373 G N -0.187 108.406 108.800 -0.344 0.000 2.422 373 G HA2 -0.217 3.823 3.960 0.134 0.000 0.218 373 G HA3 -0.217 3.823 3.960 0.134 0.000 0.218 373 G C 1.729 176.549 174.900 -0.134 0.000 1.146 373 G CA 0.707 45.774 45.100 -0.055 0.000 0.769 373 G HN 0.458 nan 8.290 nan 0.000 0.547 374 R N -0.770 119.574 120.500 -0.260 0.000 2.115 374 R HA -0.012 4.408 4.340 0.134 0.000 0.230 374 R C 2.315 178.464 176.300 -0.252 0.000 1.111 374 R CA 1.007 56.907 56.100 -0.333 0.000 0.976 374 R CB -0.342 29.626 30.300 -0.552 0.000 0.870 374 R HN 0.394 nan 8.270 nan 0.000 0.445 375 H N -0.114 118.879 119.070 -0.129 0.000 2.357 375 H HA -0.056 4.579 4.556 0.130 0.000 0.301 375 H C 2.225 177.434 175.328 -0.197 0.000 1.082 375 H CA 1.371 57.378 56.048 -0.070 0.000 1.342 375 H CB -0.077 29.671 29.762 -0.024 0.000 1.389 375 H HN -0.007 nan 8.280 nan 0.000 0.511 376 V N 1.114 120.956 119.914 -0.119 0.000 2.427 376 V HA -0.214 3.986 4.120 0.134 0.000 0.248 376 V C 2.789 178.808 176.094 -0.124 0.000 1.051 376 V CA 1.432 63.565 62.300 -0.277 0.000 1.048 376 V CB -0.952 30.694 31.823 -0.296 0.000 0.666 376 V HN 0.444 nan 8.190 nan 0.000 0.456 377 A N -0.009 122.805 122.820 -0.009 0.000 1.898 377 A HA -0.240 4.160 4.320 0.134 0.000 0.216 377 A C 2.393 179.936 177.584 -0.068 0.000 1.181 377 A CA 1.967 54.047 52.037 0.072 0.000 0.620 377 A CB -0.533 18.494 19.000 0.045 0.000 0.819 377 A HN 0.482 nan 8.150 nan 0.000 0.442 378 R N -0.404 120.017 120.500 -0.133 0.000 2.081 378 R HA -0.103 4.317 4.340 0.134 0.000 0.235 378 R C 2.304 178.554 176.300 -0.082 0.000 1.131 378 R CA 1.471 57.440 56.100 -0.219 0.000 0.960 378 R CB -0.398 29.782 30.300 -0.200 0.000 0.856 378 R HN 0.443 nan 8.270 nan 0.000 0.436 379 A N 0.933 123.666 122.820 -0.145 0.000 1.902 379 A HA -0.154 4.246 4.320 0.134 0.000 0.217 379 A C 1.946 179.452 177.584 -0.130 0.000 1.181 379 A CA 1.441 53.236 52.037 -0.404 0.000 0.623 379 A CB -0.407 18.149 19.000 -0.740 0.000 0.818 379 A HN 0.341 nan 8.150 nan 0.000 0.443 380 E N -0.446 119.743 120.200 -0.017 0.000 2.077 380 E HA -0.205 4.225 4.350 0.134 0.000 0.193 380 E C 1.985 178.719 176.600 0.224 0.000 0.989 380 E CA 1.379 57.855 56.400 0.127 0.000 0.800 380 E CB -0.311 29.489 29.700 0.166 0.000 0.746 380 E HN 0.857 nan 8.360 nan 0.000 0.452 381 E N 0.285 120.596 120.200 0.184 0.000 2.106 381 E HA -0.128 4.302 4.350 0.134 0.000 0.192 381 E C 1.754 178.635 176.600 0.468 0.000 0.984 381 E CA 1.424 58.017 56.400 0.322 0.000 0.806 381 E CB 0.126 29.985 29.700 0.265 0.000 0.750 381 E HN 0.091 nan 8.360 nan 0.000 0.458 382 T N 0.145 114.982 114.554 0.472 0.000 2.720 382 T HA -0.230 4.200 4.350 0.134 0.000 0.268 382 T C 1.454 176.364 174.700 0.351 0.000 1.037 382 T CA 1.563 63.967 62.100 0.507 0.000 1.144 382 T CB -0.553 68.688 68.868 0.622 0.000 0.864 382 T HN 0.363 nan 8.240 nan 0.000 0.444 383 Y N 0.477 120.901 120.300 0.208 0.000 2.181 383 Y HA -0.173 4.457 4.550 0.133 0.000 0.288 383 Y C 2.285 178.278 175.900 0.155 0.000 1.146 383 Y CA 0.982 59.169 58.100 0.146 0.000 1.164 383 Y CB -0.470 38.048 38.460 0.097 0.000 0.982 383 Y HN 0.257 nan 8.280 nan 0.000 0.515 384 Y N -0.274 120.106 120.300 0.134 0.000 2.242 384 Y HA -0.257 4.373 4.550 0.133 0.000 0.291 384 Y C 2.141 177.963 175.900 -0.130 0.000 1.137 384 Y CA 1.727 59.841 58.100 0.023 0.000 1.181 384 Y CB -0.342 38.184 38.460 0.109 0.000 0.989 384 Y HN 0.100 nan 8.280 nan 0.000 0.527 385 M N -0.163 119.422 119.600 -0.025 0.000 2.213 385 M HA -0.193 4.367 4.480 0.134 0.000 0.263 385 M C 2.163 178.328 176.300 -0.226 0.000 1.062 385 M CA 1.328 56.507 55.300 -0.203 0.000 1.105 385 M CB -1.339 31.265 32.600 0.005 0.000 1.385 385 M HN 0.373 nan 8.290 nan 0.000 0.417 386 L N -0.812 120.346 121.223 -0.108 0.000 2.043 386 L HA -0.171 4.249 4.340 0.134 0.000 0.212 386 L C 2.601 179.392 176.870 -0.131 0.000 1.075 386 L CA 1.516 56.377 54.840 0.035 0.000 0.752 386 L CB -1.594 40.406 42.059 -0.099 0.000 0.891 386 L HN 0.376 nan 8.230 nan 0.000 0.432 387 G N -0.616 107.961 108.800 -0.372 0.000 2.422 387 G HA2 -0.163 3.877 3.960 0.134 0.000 0.218 387 G HA3 -0.163 3.877 3.960 0.134 0.000 0.218 387 G C 1.766 176.307 174.900 -0.599 0.000 1.140 387 G CA 0.782 45.630 45.100 -0.419 0.000 0.775 387 G HN 0.472 nan 8.290 nan 0.000 0.545 388 A N 0.719 123.040 122.820 -0.832 0.000 1.872 388 A HA 0.134 4.534 4.320 0.134 0.000 0.214 388 A C 2.376 179.073 177.584 -1.479 0.000 1.187 388 A CA 1.068 52.320 52.037 -1.309 0.000 0.614 388 A CB -0.317 17.778 19.000 -1.508 0.000 0.826 388 A HN 0.341 nan 8.150 nan 0.000 0.442 389 I N -0.294 119.734 120.570 -0.903 0.000 2.179 389 I HA -0.231 4.019 4.170 0.134 0.000 0.242 389 I C 2.511 178.301 176.117 -0.545 0.000 1.088 389 I CA 1.305 62.269 61.300 -0.560 0.000 1.357 389 I CB -0.355 37.321 38.000 -0.540 0.000 1.051 389 I HN 0.333 nan 8.210 nan 0.000 0.409 390 E N 0.841 120.748 120.200 -0.488 0.000 2.085 390 E HA -0.208 4.222 4.350 0.134 0.000 0.194 390 E C 2.236 178.681 176.600 -0.258 0.000 0.994 390 E CA 1.551 57.803 56.400 -0.246 0.000 0.801 390 E CB -0.545 29.116 29.700 -0.064 0.000 0.743 390 E HN 0.607 nan 8.360 nan 0.000 0.453 391 G N 0.825 109.380 108.800 -0.408 0.000 2.446 391 G HA2 -0.238 3.802 3.960 0.134 0.000 0.217 391 G HA3 -0.238 3.802 3.960 0.134 0.000 0.217 391 G C 1.227 175.965 174.900 -0.270 0.000 1.168 391 G CA 0.751 45.612 45.100 -0.399 0.000 0.771 391 G HN 0.235 nan 8.290 nan 0.000 0.551 392 W N 0.673 121.840 121.300 -0.221 0.000 2.388 392 W HA 0.144 4.883 4.660 0.133 0.000 0.294 392 W C 2.484 178.876 176.519 -0.212 0.000 1.212 392 W CA 0.147 57.365 57.345 -0.212 0.000 1.271 392 W CB -1.126 28.195 29.460 -0.231 0.000 1.126 392 W HN 0.174 nan 8.180 nan 0.000 0.535 393 L N 0.398 121.600 121.223 -0.034 0.000 2.191 393 L HA -0.196 4.224 4.340 0.134 0.000 0.212 393 L C 2.436 179.280 176.870 -0.043 0.000 1.103 393 L CA 1.247 56.045 54.840 -0.069 0.000 0.769 393 L CB -0.592 41.423 42.059 -0.073 0.000 0.908 393 L HN -0.100 nan 8.230 nan 0.000 0.438 394 K N -0.281 120.091 120.400 -0.048 0.000 2.116 394 K HA -0.144 4.256 4.320 0.134 0.000 0.203 394 K C 1.902 178.484 176.600 -0.029 0.000 1.052 394 K CA 0.879 57.143 56.287 -0.038 0.000 0.952 394 K CB 0.013 32.483 32.500 -0.050 0.000 0.729 394 K HN 0.318 nan 8.250 nan 0.000 0.446 395 E N 1.008 121.200 120.200 -0.015 0.000 2.107 395 E HA -0.074 4.356 4.350 0.134 0.000 0.191 395 E C 0.503 177.087 176.600 -0.027 0.000 0.982 395 E CA -0.022 56.377 56.400 -0.002 0.000 0.809 395 E CB 0.125 29.860 29.700 0.057 0.000 0.756 395 E HN 0.058 nan 8.360 nan 0.000 0.459 396 I N 1.778 122.320 120.570 -0.047 0.000 2.872 396 I HA -0.095 4.155 4.170 0.134 0.000 0.291 396 I C -0.529 175.535 176.117 -0.089 0.000 1.216 396 I CA 0.685 61.925 61.300 -0.100 0.000 1.424 396 I CB 0.452 38.352 38.000 -0.167 0.000 1.351 396 I HN -0.193 nan 8.210 nan 0.000 0.592 397 K N 7.424 127.764 120.400 -0.101 0.000 2.483 397 K HA 0.495 4.895 4.320 0.134 0.000 0.256 397 K C -0.747 175.799 176.600 -0.090 0.000 0.961 397 K CA -0.626 55.614 56.287 -0.077 0.000 0.873 397 K CB 1.604 34.068 32.500 -0.061 0.000 1.107 397 K HN 0.678 nan 8.250 nan 0.000 0.432 398 A N 1.002 123.778 122.820 -0.072 0.000 2.546 398 A HA 0.415 4.815 4.320 0.134 0.000 0.243 398 A C 1.302 178.856 177.584 -0.051 0.000 1.063 398 A CA 1.321 53.320 52.037 -0.064 0.000 0.757 398 A CB -0.388 18.594 19.000 -0.029 0.000 0.991 398 A HN 0.990 nan 8.150 nan 0.000 0.503 399 G N 1.345 110.113 108.800 -0.053 0.000 2.225 399 G HA2 -0.226 3.814 3.960 0.134 0.000 0.254 399 G HA3 -0.226 3.814 3.960 0.134 0.000 0.254 399 G C 0.192 175.066 174.900 -0.044 0.000 0.988 399 G CA 0.541 45.619 45.100 -0.038 0.000 0.625 399 G HN 0.933 nan 8.290 nan 0.000 0.527 400 E N 1.039 121.204 120.200 -0.059 0.000 2.313 400 E HA 0.365 4.796 4.350 0.134 0.000 0.276 400 E C -0.224 176.339 176.600 -0.062 0.000 1.031 400 E CA -0.636 55.730 56.400 -0.056 0.000 0.857 400 E CB 0.531 30.195 29.700 -0.061 0.000 1.040 400 E HN 0.196 nan 8.360 nan 0.000 0.408 401 D N 1.124 121.495 120.400 -0.048 0.000 2.423 401 D HA -0.035 4.685 4.640 0.134 0.000 0.238 401 D C 0.560 176.825 176.300 -0.059 0.000 1.142 401 D CA 0.457 54.430 54.000 -0.046 0.000 0.884 401 D CB 1.049 41.830 40.800 -0.032 0.000 1.199 401 D HN 0.514 nan 8.370 nan 0.000 0.438 402 T N -0.523 113.994 114.554 -0.062 0.000 3.043 402 T HA 0.311 4.741 4.350 0.134 0.000 0.272 402 T C 0.321 174.986 174.700 -0.059 0.000 0.990 402 T CA -0.445 61.610 62.100 -0.075 0.000 0.897 402 T CB 0.221 69.031 68.868 -0.096 0.000 1.111 402 T HN 0.140 nan 8.240 nan 0.000 0.529 403 V N 1.855 121.743 119.914 -0.043 0.000 3.012 403 V HA 0.751 4.951 4.120 0.134 0.000 0.307 403 V C -1.243 174.837 176.094 -0.023 0.000 1.166 403 V CA -0.842 61.437 62.300 -0.035 0.000 0.974 403 V CB 2.424 34.228 31.823 -0.031 0.000 1.040 403 V HN 0.445 nan 8.190 nan 0.000 0.428 404 V N 3.635 123.538 119.914 -0.018 0.000 2.919 404 V HA 0.722 4.922 4.120 0.134 0.000 0.316 404 V C -0.507 175.590 176.094 0.005 0.000 1.077 404 V CA -0.862 61.436 62.300 -0.003 0.000 0.977 404 V CB 2.255 34.080 31.823 0.003 0.000 1.039 404 V HN 0.720 nan 8.190 nan 0.000 0.441 405 M N 4.124 123.735 119.600 0.019 0.000 2.158 405 M HA 0.471 5.032 4.480 0.134 0.000 0.326 405 M C -2.586 173.751 176.300 0.062 0.000 1.014 405 M CA -1.542 53.777 55.300 0.033 0.000 0.961 405 M CB 0.145 32.760 32.600 0.025 0.000 1.327 405 M HN 0.675 nan 8.290 nan 0.000 0.393 406 P HA 0.547 nan 4.420 nan 0.000 0.286 406 P C -0.496 176.918 177.300 0.189 0.000 1.261 406 P CA -0.429 62.766 63.100 0.158 0.000 0.821 406 P CB 1.087 32.936 31.700 0.249 0.000 1.013 407 A N 2.446 125.323 122.820 0.096 0.000 2.425 407 A HA 0.241 4.641 4.320 0.134 0.000 0.242 407 A C 0.297 177.829 177.584 -0.087 0.000 1.077 407 A CA -0.449 51.606 52.037 0.030 0.000 0.781 407 A CB -0.062 18.927 19.000 -0.018 0.000 1.020 407 A HN 0.421 nan 8.150 nan 0.000 0.494 408 V N 4.688 124.514 119.914 -0.146 0.000 2.521 408 V HA 0.231 4.431 4.120 0.134 0.000 0.286 408 V C -1.486 174.335 176.094 -0.455 0.000 1.034 408 V CA -0.688 61.336 62.300 -0.461 0.000 1.045 408 V CB 0.507 32.244 31.823 -0.144 0.000 0.974 408 V HN 0.908 nan 8.190 nan 0.000 0.480 409 P HA 0.334 nan 4.420 nan 0.000 0.279 409 P C 0.326 177.488 177.300 -0.229 0.000 1.252 409 P CA -0.461 62.428 63.100 -0.351 0.000 0.811 409 P CB 1.600 33.094 31.700 -0.343 0.000 1.035 410 A N 1.769 124.506 122.820 -0.139 0.000 1.872 410 A HA 0.033 4.433 4.320 0.134 0.000 0.214 410 A C 1.032 178.570 177.584 -0.077 0.000 1.187 410 A CA 1.261 53.244 52.037 -0.091 0.000 0.614 410 A CB -0.620 18.343 19.000 -0.062 0.000 0.826 410 A HN 0.561 nan 8.150 nan 0.000 0.442 411 S N -1.264 114.391 115.700 -0.075 0.000 2.647 411 S HA 0.716 5.266 4.470 0.134 0.000 0.300 411 S C -0.503 174.064 174.600 -0.054 0.000 1.129 411 S CA 0.102 58.271 58.200 -0.051 0.000 1.029 411 S CB 1.543 64.725 63.200 -0.030 0.000 1.007 411 S HN 1.137 nan 8.310 nan 0.000 0.484 412 A N 2.898 125.691 122.820 -0.045 0.000 2.540 412 A HA 0.828 5.228 4.320 0.134 0.000 0.291 412 A C -1.686 175.880 177.584 -0.029 0.000 1.083 412 A CA -0.998 51.021 52.037 -0.030 0.000 0.650 412 A CB 1.265 20.240 19.000 -0.043 0.000 1.292 412 A HN 0.780 nan 8.150 nan 0.000 0.435 413 E N -0.379 119.812 120.200 -0.015 0.000 2.408 413 E HA 0.741 5.171 4.350 0.134 0.000 0.275 413 E C -0.294 176.283 176.600 -0.038 0.000 0.935 413 E CA -0.727 55.628 56.400 -0.074 0.000 0.775 413 E CB 2.194 31.893 29.700 -0.001 0.000 1.277 413 E HN 1.608 nan 8.360 nan 0.000 0.455 414 G N 0.429 109.148 108.800 -0.135 0.000 2.742 414 G HA2 0.566 4.606 3.960 0.134 0.000 0.296 414 G HA3 0.566 4.606 3.960 0.134 0.000 0.296 414 G C -1.344 173.519 174.900 -0.062 0.000 1.436 414 G CA -0.704 44.373 45.100 -0.039 0.000 0.928 414 G HN 0.429 nan 8.290 nan 0.000 0.520 415 T N 0.159 114.738 114.554 0.041 0.000 2.841 415 T HA 0.679 5.109 4.350 0.134 0.000 0.285 415 T C 0.143 174.751 174.700 -0.153 0.000 0.991 415 T CA -0.408 61.662 62.100 -0.050 0.000 0.966 415 T CB 1.953 70.834 68.868 0.021 0.000 0.962 415 T HN 0.930 nan 8.240 nan 0.000 0.438 416 G N 1.982 110.627 108.800 -0.260 0.000 2.370 416 G HA2 0.652 4.692 3.960 0.134 0.000 0.317 416 G HA3 0.652 4.692 3.960 0.134 0.000 0.317 416 G C -1.040 173.654 174.900 -0.344 0.000 1.162 416 G CA -0.543 44.439 45.100 -0.197 0.000 0.922 416 G HN 0.569 nan 8.290 nan 0.000 0.454 417 F N 1.117 121.067 119.950 0.001 0.000 2.443 417 F HA 0.746 5.353 4.527 0.133 0.000 0.335 417 F C 0.731 176.509 175.800 -0.036 0.000 1.104 417 F CA -0.497 57.497 58.000 -0.009 0.000 1.013 417 F CB 2.915 41.935 39.000 0.033 0.000 1.136 417 F HN 0.499 nan 8.300 nan 0.000 0.470 418 T N 0.903 115.528 114.554 0.119 0.000 2.711 418 T HA 0.313 4.743 4.350 0.134 0.000 0.302 418 T C -1.801 172.954 174.700 0.091 0.000 1.373 418 T CA -0.733 61.416 62.100 0.080 0.000 1.000 418 T CB 1.485 70.371 68.868 0.031 0.000 1.483 418 T HN 0.462 nan 8.240 nan 0.000 0.499 419 E N 1.410 121.699 120.200 0.148 0.000 2.092 419 E HA 0.585 5.015 4.350 0.134 0.000 0.271 419 E C -0.267 176.538 176.600 0.342 0.000 0.919 419 E CA -0.461 56.045 56.400 0.177 0.000 0.760 419 E CB 1.513 31.307 29.700 0.157 0.000 1.106 419 E HN 0.759 nan 8.360 nan 0.000 0.408 420 A N 4.599 127.546 122.820 0.211 0.000 2.366 420 A HA 0.326 4.726 4.320 0.134 0.000 0.249 420 A C -1.446 176.103 177.584 -0.059 0.000 1.084 420 A CA -1.036 51.110 52.037 0.181 0.000 0.794 420 A CB 0.080 19.103 19.000 0.039 0.000 1.034 420 A HN 0.279 nan 8.150 nan 0.000 0.491 421 P HA -0.153 nan 4.420 nan 0.000 0.217 421 P C 0.964 178.185 177.300 -0.133 0.000 1.148 421 P CA 1.497 64.231 63.100 -0.611 0.000 0.834 421 P CB 0.081 31.494 31.700 -0.478 0.000 0.783 422 R N -1.795 118.675 120.500 -0.050 0.000 2.317 422 R HA 0.400 4.820 4.340 0.134 0.000 0.208 422 R C 1.082 177.395 176.300 0.021 0.000 0.914 422 R CA 0.427 56.527 56.100 -0.000 0.000 1.060 422 R CB 0.197 30.518 30.300 0.034 0.000 1.015 422 R HN 0.212 nan 8.270 nan 0.000 0.498 423 G N -0.692 108.113 108.800 0.009 0.000 2.325 423 G HA2 -0.130 3.910 3.960 0.134 0.000 0.285 423 G HA3 -0.130 3.910 3.960 0.134 0.000 0.285 423 G C -1.122 173.792 174.900 0.025 0.000 1.303 423 G CA -1.013 44.087 45.100 0.000 0.000 0.970 423 G HN 0.018 nan 8.290 nan 0.000 0.490 424 S N -0.414 115.276 115.700 -0.017 0.000 2.537 424 S HA 0.470 5.020 4.470 0.134 0.000 0.286 424 S C -0.127 174.549 174.600 0.126 0.000 1.299 424 S CA 0.304 58.493 58.200 -0.019 0.000 1.067 424 S CB 1.111 64.183 63.200 -0.215 0.000 0.864 424 S HN 1.270 nan 8.310 nan 0.000 0.494 425 L N 4.187 125.465 121.223 0.093 0.000 2.431 425 L HA 0.814 5.234 4.340 0.134 0.000 0.266 425 L C -1.500 175.400 176.870 0.051 0.000 0.978 425 L CA -0.703 54.187 54.840 0.084 0.000 0.822 425 L CB 1.714 43.751 42.059 -0.037 0.000 1.310 425 L HN 0.618 nan 8.230 nan 0.000 0.409 426 L N 0.908 122.155 121.223 0.039 0.000 2.424 426 L HA 0.685 5.105 4.340 0.134 0.000 0.258 426 L C -1.366 175.518 176.870 0.024 0.000 0.995 426 L CA -0.466 54.283 54.840 -0.151 0.000 0.821 426 L CB 2.249 44.036 42.059 -0.453 0.000 1.383 426 L HN 0.639 nan 8.230 nan 0.000 0.410 427 H N 1.005 119.898 119.070 -0.295 0.000 2.589 427 H HA 0.416 5.052 4.556 0.133 0.000 0.351 427 H C -1.894 173.245 175.328 -0.315 0.000 1.074 427 H CA -0.603 55.308 56.048 -0.228 0.000 1.203 427 H CB 2.525 32.227 29.762 -0.099 0.000 1.558 427 H HN 0.780 nan 8.280 nan 0.000 0.522 428 Y N 3.458 123.549 120.300 -0.348 0.000 2.352 428 Y HA 0.433 5.063 4.550 0.133 0.000 0.339 428 Y C -1.457 174.139 175.900 -0.508 0.000 0.992 428 Y CA -0.706 57.230 58.100 -0.273 0.000 1.100 428 Y CB 1.331 39.817 38.460 0.043 0.000 1.192 428 Y HN 0.377 nan 8.280 nan 0.000 0.458 429 V N 7.097 126.386 119.914 -1.043 0.000 2.604 429 V HA 0.567 4.767 4.120 0.134 0.000 0.305 429 V C -1.453 174.125 176.094 -0.859 0.000 1.043 429 V CA -0.753 61.031 62.300 -0.860 0.000 0.888 429 V CB 1.722 33.275 31.823 -0.449 0.000 0.995 429 V HN 0.815 nan 8.190 nan 0.000 0.429 430 K N 4.592 124.699 120.400 -0.489 0.000 2.274 430 K HA 0.733 5.133 4.320 0.134 0.000 0.262 430 K C -1.521 175.033 176.600 -0.076 0.000 0.961 430 K CA -0.390 55.759 56.287 -0.229 0.000 0.833 430 K CB 1.887 34.362 32.500 -0.040 0.000 1.102 430 K HN 0.525 nan 8.250 nan 0.000 0.436 431 V N 4.708 124.592 119.914 -0.050 0.000 2.459 431 V HA 0.529 4.729 4.120 0.134 0.000 0.295 431 V C -0.573 175.510 176.094 -0.019 0.000 1.029 431 V CA -0.735 61.554 62.300 -0.018 0.000 0.874 431 V CB 1.639 33.446 31.823 -0.026 0.000 0.985 431 V HN 0.719 nan 8.190 nan 0.000 0.438 432 K N 2.352 122.746 120.400 -0.009 0.000 2.525 432 K HA 0.341 4.741 4.320 0.134 0.000 0.254 432 K C -1.036 175.558 176.600 -0.010 0.000 0.934 432 K CA -0.719 55.563 56.287 -0.009 0.000 0.802 432 K CB 1.791 34.294 32.500 0.004 0.000 1.295 432 K HN 0.741 nan 8.250 nan 0.000 0.433 433 D N 1.768 122.158 120.400 -0.017 0.000 2.751 433 D HA -0.164 4.556 4.640 0.134 0.000 0.233 433 D C -0.567 175.719 176.300 -0.023 0.000 1.149 433 D CA 1.681 55.670 54.000 -0.018 0.000 0.682 433 D CB -1.171 39.624 40.800 -0.009 0.000 1.068 433 D HN 0.766 nan 8.370 nan 0.000 0.429 434 S N -2.703 112.973 115.700 -0.040 0.000 3.380 434 S HA -0.249 4.301 4.470 0.134 0.000 0.300 434 S C 0.412 175.001 174.600 -0.018 0.000 1.255 434 S CA 1.341 59.511 58.200 -0.051 0.000 0.963 434 S CB -0.345 62.823 63.200 -0.053 0.000 1.106 434 S HN 0.398 nan 8.310 nan 0.000 0.629 435 K N 0.251 120.650 120.400 -0.002 0.000 2.340 435 K HA 0.573 4.973 4.320 0.134 0.000 0.244 435 K C 0.233 176.854 176.600 0.036 0.000 0.973 435 K CA -0.926 55.373 56.287 0.020 0.000 0.828 435 K CB 1.076 33.585 32.500 0.015 0.000 1.226 435 K HN 0.188 nan 8.250 nan 0.000 0.437 436 I N 2.026 122.631 120.570 0.058 0.000 2.664 436 I HA -0.131 4.120 4.170 0.134 0.000 0.284 436 I C 1.099 177.255 176.117 0.064 0.000 1.154 436 I CA 0.541 61.890 61.300 0.082 0.000 1.402 436 I CB 0.188 38.260 38.000 0.120 0.000 1.395 436 I HN 0.625 nan 8.210 nan 0.000 0.545 437 D N 4.712 125.146 120.400 0.056 0.000 2.323 437 D HA 0.005 4.725 4.640 0.134 0.000 0.218 437 D C 0.255 176.601 176.300 0.077 0.000 0.973 437 D CA 0.770 54.802 54.000 0.053 0.000 0.890 437 D CB 0.452 41.276 40.800 0.039 0.000 1.011 437 D HN 0.480 nan 8.370 nan 0.000 0.499 438 N N -0.971 117.783 118.700 0.090 0.000 2.308 438 N HA 0.253 5.073 4.740 0.134 0.000 0.283 438 N C -2.162 173.438 175.510 0.149 0.000 1.105 438 N CA -0.562 52.569 53.050 0.136 0.000 0.840 438 N CB 1.148 39.739 38.487 0.173 0.000 1.633 438 N HN 0.000 nan 8.380 nan 0.000 0.476 439 Y N 1.382 121.726 120.300 0.073 0.000 2.361 439 Y HA 0.428 5.058 4.550 0.133 0.000 0.328 439 Y C -1.221 174.729 175.900 0.083 0.000 1.044 439 Y CA -0.520 57.608 58.100 0.047 0.000 1.085 439 Y CB 1.345 39.805 38.460 0.001 0.000 1.194 439 Y HN 0.320 nan 8.280 nan 0.000 0.438 440 Q N 6.308 126.193 119.800 0.142 0.000 2.356 440 Q HA 0.547 4.967 4.340 0.134 0.000 0.270 440 Q C -1.436 174.580 176.000 0.026 0.000 1.058 440 Q CA -0.747 55.153 55.803 0.162 0.000 0.802 440 Q CB 3.223 32.090 28.738 0.215 0.000 1.303 440 Q HN 0.761 nan 8.270 nan 0.000 0.444 441 I N 1.285 121.830 120.570 -0.042 0.000 2.466 441 I HA 0.400 4.650 4.170 0.134 0.000 0.289 441 I C -0.577 175.471 176.117 -0.116 0.000 1.026 441 I CA -0.903 60.260 61.300 -0.229 0.000 1.078 441 I CB 2.215 39.841 38.000 -0.623 0.000 1.249 441 I HN 0.147 nan 8.210 nan 0.000 0.429 442 V N 5.297 125.185 119.914 -0.044 0.000 2.304 442 V HA 0.399 4.599 4.120 0.134 0.000 0.278 442 V C 0.138 176.297 176.094 0.107 0.000 1.018 442 V CA -0.435 61.877 62.300 0.019 0.000 0.814 442 V CB 1.160 33.002 31.823 0.031 0.000 1.021 442 V HN 0.871 nan 8.190 nan 0.000 0.440 443 S N 3.851 119.628 115.700 0.128 0.000 2.745 443 S HA 0.789 5.339 4.470 0.134 0.000 0.292 443 S C 1.297 176.069 174.600 0.287 0.000 1.133 443 S CA 0.004 58.322 58.200 0.197 0.000 0.998 443 S CB 1.994 65.329 63.200 0.225 0.000 1.087 443 S HN 0.814 nan 8.310 nan 0.000 0.551 444 A N 1.439 124.413 122.820 0.256 0.000 1.851 444 A HA -0.013 4.387 4.320 0.134 0.000 0.216 444 A C 2.201 179.961 177.584 0.292 0.000 1.195 444 A CA 2.007 54.214 52.037 0.283 0.000 0.622 444 A CB -1.594 17.500 19.000 0.156 0.000 0.831 444 A HN 0.809 nan 8.150 nan 0.000 0.444 445 S N -0.642 115.189 115.700 0.219 0.000 2.555 445 S HA -0.010 4.541 4.470 0.134 0.000 0.230 445 S C 1.651 176.356 174.600 0.174 0.000 0.978 445 S CA 0.862 59.177 58.200 0.192 0.000 0.934 445 S CB -0.270 63.028 63.200 0.164 0.000 0.766 445 S HN 0.509 nan 8.310 nan 0.000 0.533 446 L N 0.278 121.601 121.223 0.167 0.000 2.056 446 L HA 0.089 4.509 4.340 0.134 0.000 0.207 446 L C 1.688 178.567 176.870 0.015 0.000 1.078 446 L CA 1.659 56.538 54.840 0.065 0.000 0.749 446 L CB -0.686 41.388 42.059 0.025 0.000 0.901 446 L HN 0.339 nan 8.230 nan 0.000 0.433 447 W N 0.088 121.460 121.300 0.120 0.000 2.363 447 W HA -0.152 4.587 4.660 0.132 0.000 0.296 447 W C 2.405 178.983 176.519 0.098 0.000 1.212 447 W CA 1.114 58.527 57.345 0.114 0.000 1.260 447 W CB -0.406 29.120 29.460 0.109 0.000 1.131 447 W HN 0.248 nan 8.180 nan 0.000 0.530 448 N N -1.109 117.771 118.700 0.299 0.000 2.278 448 N HA -0.043 4.777 4.740 0.134 0.000 0.181 448 N C 0.723 176.238 175.510 0.008 0.000 1.023 448 N CA 1.154 54.289 53.050 0.141 0.000 0.862 448 N CB -0.698 37.885 38.487 0.161 0.000 1.003 448 N HN 0.001 nan 8.380 nan 0.000 0.431 449 C N 2.534 121.861 119.300 0.045 0.000 2.470 449 C HA 0.273 4.813 4.460 0.134 0.000 0.311 449 C C 0.521 175.537 174.990 0.043 0.000 1.387 449 C CA -1.355 57.675 59.018 0.019 0.000 1.783 449 C CB -1.991 25.781 27.740 0.053 0.000 2.416 449 C HN 0.338 nan 8.230 nan 0.000 0.558 450 N N 2.149 120.876 118.700 0.044 0.000 2.493 450 N HA 0.404 5.224 4.740 0.134 0.000 0.275 450 N C -2.852 172.662 175.510 0.008 0.000 1.186 450 N CA -0.812 52.251 53.050 0.021 0.000 0.978 450 N CB 1.163 39.658 38.487 0.013 0.000 1.184 450 N HN 0.129 nan 8.380 nan 0.000 0.487 451 P HA 0.250 nan 4.420 nan 0.000 0.306 451 P C -0.417 176.864 177.300 -0.032 0.000 1.309 451 P CA -0.535 62.485 63.100 -0.133 0.000 0.759 451 P CB 1.005 32.323 31.700 -0.636 0.000 1.314 452 R N 0.236 120.726 120.500 -0.017 0.000 2.697 452 R HA 0.053 4.473 4.340 0.134 0.000 0.265 452 R C 0.611 176.980 176.300 0.115 0.000 1.009 452 R CA 0.564 56.653 56.100 -0.018 0.000 1.099 452 R CB -0.400 29.711 30.300 -0.315 0.000 0.965 452 R HN 0.566 nan 8.270 nan 0.000 0.428 453 D N 0.355 120.807 120.400 0.088 0.000 2.466 453 D HA 0.053 4.773 4.640 0.134 0.000 0.262 453 D C 0.039 176.398 176.300 0.097 0.000 1.177 453 D CA -0.627 53.405 54.000 0.053 0.000 1.035 453 D CB 0.402 41.103 40.800 -0.165 0.000 1.105 453 D HN 0.296 nan 8.370 nan 0.000 0.551 454 D N -0.746 119.609 120.400 -0.075 0.000 2.271 454 D HA -0.119 4.601 4.640 0.134 0.000 0.207 454 D C 1.219 177.500 176.300 -0.031 0.000 0.983 454 D CA 1.314 55.288 54.000 -0.045 0.000 0.878 454 D CB -0.280 40.489 40.800 -0.052 0.000 0.920 454 D HN 0.329 nan 8.370 nan 0.000 0.479 455 M N -1.366 118.161 119.600 -0.121 0.000 2.495 455 M HA 0.286 4.846 4.480 0.134 0.000 0.237 455 M C 1.376 177.679 176.300 0.005 0.000 1.131 455 M CA 0.215 55.474 55.300 -0.069 0.000 1.032 455 M CB 0.514 33.034 32.600 -0.134 0.000 1.513 455 M HN 0.025 nan 8.290 nan 0.000 0.488 456 G N 0.581 109.419 108.800 0.063 0.000 2.148 456 G HA2 -0.300 3.740 3.960 0.134 0.000 0.254 456 G HA3 -0.300 3.740 3.960 0.134 0.000 0.254 456 G C 0.132 175.027 174.900 -0.009 0.000 0.981 456 G CA 0.410 45.522 45.100 0.020 0.000 0.670 456 G HN 0.536 nan 8.290 nan 0.000 0.528 457 Q N 0.387 120.191 119.800 0.008 0.000 2.286 457 Q HA 0.517 4.938 4.340 0.134 0.000 0.257 457 Q C 0.816 176.876 176.000 0.100 0.000 0.941 457 Q CA -0.638 55.203 55.803 0.063 0.000 0.912 457 Q CB 0.526 29.270 28.738 0.010 0.000 1.192 457 Q HN 0.505 nan 8.270 nan 0.000 0.410 458 R N 1.855 122.476 120.500 0.203 0.000 2.679 458 R HA 0.264 4.684 4.340 0.134 0.000 0.269 458 R C 0.396 176.868 176.300 0.285 0.000 1.076 458 R CA 0.250 56.463 56.100 0.189 0.000 1.160 458 R CB 0.524 30.898 30.300 0.124 0.000 1.054 458 R HN 0.845 nan 8.270 nan 0.000 0.507 459 G N -0.280 108.634 108.800 0.191 0.000 2.599 459 G HA2 0.264 4.304 3.960 0.134 0.000 0.264 459 G HA3 0.264 4.304 3.960 0.134 0.000 0.264 459 G C 0.800 175.856 174.900 0.259 0.000 1.200 459 G CA 0.067 45.286 45.100 0.199 0.000 0.896 459 G HN 0.674 nan 8.290 nan 0.000 0.536 460 A N -0.330 122.637 122.820 0.245 0.000 1.883 460 A HA -0.046 4.354 4.320 0.134 0.000 0.217 460 A C 2.520 180.067 177.584 -0.062 0.000 1.186 460 A CA 2.118 54.298 52.037 0.238 0.000 0.624 460 A CB -0.684 18.466 19.000 0.251 0.000 0.822 460 A HN 0.557 nan 8.150 nan 0.000 0.444 461 V N -0.036 119.703 119.914 -0.290 0.000 2.379 461 V HA -0.229 3.971 4.120 0.134 0.000 0.245 461 V C 2.354 178.324 176.094 -0.206 0.000 1.044 461 V CA 2.058 64.040 62.300 -0.530 0.000 1.036 461 V CB -0.896 30.560 31.823 -0.612 0.000 0.664 461 V HN 0.620 nan 8.190 nan 0.000 0.453 462 E N 0.012 120.155 120.200 -0.095 0.000 2.097 462 E HA -0.324 4.107 4.350 0.134 0.000 0.196 462 E C 2.220 178.772 176.600 -0.081 0.000 1.000 462 E CA 1.829 58.200 56.400 -0.048 0.000 0.804 462 E CB -0.071 29.634 29.700 0.010 0.000 0.740 462 E HN 0.623 nan 8.360 nan 0.000 0.454 463 E N 0.367 120.499 120.200 -0.114 0.000 2.158 463 E HA -0.040 4.390 4.350 0.134 0.000 0.191 463 E C 1.758 178.233 176.600 -0.208 0.000 0.982 463 E CA 0.952 57.184 56.400 -0.280 0.000 0.823 463 E CB -0.037 29.190 29.700 -0.787 0.000 0.766 463 E HN 0.221 nan 8.360 nan 0.000 0.468 464 A N 0.311 123.070 122.820 -0.102 0.000 2.067 464 A HA -0.055 4.345 4.320 0.134 0.000 0.219 464 A C 2.053 179.651 177.584 0.024 0.000 1.158 464 A CA 0.749 52.801 52.037 0.024 0.000 0.661 464 A CB -0.511 18.623 19.000 0.224 0.000 0.801 464 A HN 0.342 nan 8.150 nan 0.000 0.452 465 L N 0.203 121.414 121.223 -0.020 0.000 2.201 465 L HA -0.033 4.388 4.340 0.134 0.000 0.212 465 L C 0.173 177.029 176.870 -0.024 0.000 1.105 465 L CA -0.025 54.809 54.840 -0.009 0.000 0.775 465 L CB -0.309 41.736 42.059 -0.023 0.000 0.913 465 L HN 0.251 nan 8.230 nan 0.000 0.440 466 I N 0.840 121.377 120.570 -0.055 0.000 2.683 466 I HA 0.034 4.284 4.170 0.134 0.000 0.286 466 I C 1.504 177.598 176.117 -0.038 0.000 1.175 466 I CA 1.074 62.338 61.300 -0.059 0.000 1.429 466 I CB -0.294 37.650 38.000 -0.093 0.000 1.371 466 I HN 0.373 nan 8.210 nan 0.000 0.569 467 G N 6.258 115.042 108.800 -0.026 0.000 2.199 467 G HA2 -0.210 3.831 3.960 0.134 0.000 0.254 467 G HA3 -0.210 3.831 3.960 0.134 0.000 0.254 467 G C 0.448 175.350 174.900 0.002 0.000 0.982 467 G CA -0.533 44.560 45.100 -0.012 0.000 0.632 467 G HN 0.455 nan 8.290 nan 0.000 0.529 468 I N 3.373 123.947 120.570 0.005 0.000 2.668 468 I HA 0.167 4.417 4.170 0.134 0.000 0.285 468 I C -1.439 174.684 176.117 0.010 0.000 1.168 468 I CA -2.020 59.291 61.300 0.017 0.000 1.424 468 I CB 0.272 38.285 38.000 0.023 0.000 1.377 468 I HN 0.026 nan 8.210 nan 0.000 0.560 469 P HA 0.088 nan 4.420 nan 0.000 0.271 469 P C -0.498 176.801 177.300 -0.002 0.000 1.220 469 P CA -0.008 63.098 63.100 0.011 0.000 0.768 469 P CB 0.928 32.641 31.700 0.023 0.000 0.848 470 V N 3.875 123.781 119.914 -0.013 0.000 2.467 470 V HA 0.051 4.252 4.120 0.134 0.000 0.260 470 V C 0.868 176.945 176.094 -0.030 0.000 0.963 470 V CA -0.284 61.997 62.300 -0.032 0.000 0.856 470 V CB 0.764 32.565 31.823 -0.037 0.000 1.087 470 V HN 0.554 nan 8.190 nan 0.000 0.467 471 D N 0.094 120.479 120.400 -0.025 0.000 2.355 471 D HA -0.007 4.713 4.640 0.134 0.000 0.218 471 D C 0.389 176.673 176.300 -0.027 0.000 1.004 471 D CA 0.385 54.374 54.000 -0.019 0.000 0.880 471 D CB 0.514 41.309 40.800 -0.009 0.000 0.911 471 D HN 0.437 nan 8.370 nan 0.000 0.528 472 D N -0.072 120.302 120.400 -0.044 0.000 2.421 472 D HA 0.206 4.927 4.640 0.134 0.000 0.254 472 D C 0.796 177.052 176.300 -0.073 0.000 1.238 472 D CA -0.659 53.310 54.000 -0.051 0.000 0.919 472 D CB 0.721 41.486 40.800 -0.057 0.000 1.152 472 D HN -0.057 nan 8.370 nan 0.000 0.552 473 I N 2.117 122.658 120.570 -0.049 0.000 2.567 473 I HA -0.217 4.033 4.170 0.134 0.000 0.257 473 I C 2.023 178.110 176.117 -0.051 0.000 1.184 473 I CA 0.866 62.137 61.300 -0.047 0.000 1.451 473 I CB 0.260 38.246 38.000 -0.023 0.000 1.089 473 I HN 0.387 nan 8.210 nan 0.000 0.441 474 Q N 0.130 119.906 119.800 -0.041 0.000 2.311 474 Q HA 0.068 4.488 4.340 0.134 0.000 0.203 474 Q C 0.256 176.216 176.000 -0.067 0.000 0.954 474 Q CA 0.782 56.583 55.803 -0.004 0.000 0.885 474 Q CB -0.150 28.606 28.738 0.029 0.000 0.963 474 Q HN 0.530 nan 8.270 nan 0.000 0.471 475 N N 1.721 120.279 118.700 -0.236 0.000 2.844 475 N HA 0.178 4.998 4.740 0.134 0.000 0.268 475 N C -2.526 172.601 175.510 -0.638 0.000 1.574 475 N CA -0.948 51.735 53.050 -0.612 0.000 0.838 475 N CB 1.640 39.944 38.487 -0.305 0.000 1.177 475 N HN 0.031 nan 8.380 nan 0.000 0.495 476 P HA 0.075 nan 4.420 nan 0.000 0.214 476 P C 1.417 178.537 177.300 -0.301 0.000 1.826 476 P CA -0.233 62.663 63.100 -0.339 0.000 0.977 476 P CB 0.073 31.663 31.700 -0.184 0.000 1.930 477 V N -1.356 118.362 119.914 -0.326 0.000 2.626 477 V HA -0.168 4.032 4.120 0.134 0.000 0.252 477 V C 1.753 177.809 176.094 -0.063 0.000 1.067 477 V CA 1.485 63.676 62.300 -0.182 0.000 1.081 477 V CB -1.368 30.379 31.823 -0.127 0.000 0.686 477 V HN 0.094 nan 8.190 nan 0.000 0.468 478 N N 0.859 119.532 118.700 -0.045 0.000 2.381 478 N HA -0.034 4.786 4.740 0.134 0.000 0.182 478 N C 1.745 177.266 175.510 0.018 0.000 1.025 478 N CA 1.435 54.488 53.050 0.005 0.000 0.888 478 N CB -0.288 38.213 38.487 0.023 0.000 0.965 478 N HN 0.511 nan 8.380 nan 0.000 0.438 479 V N 1.494 121.410 119.914 0.003 0.000 2.237 479 V HA -0.217 3.983 4.120 0.134 0.000 0.245 479 V C 2.400 178.523 176.094 0.048 0.000 1.046 479 V CA 2.052 64.366 62.300 0.024 0.000 1.007 479 V CB -0.966 30.865 31.823 0.014 0.000 0.638 479 V HN 0.299 nan 8.190 nan 0.000 0.445 480 A N -0.589 122.264 122.820 0.054 0.000 2.014 480 A HA -0.160 4.241 4.320 0.134 0.000 0.218 480 A C 2.331 179.954 177.584 0.064 0.000 1.163 480 A CA 1.372 53.451 52.037 0.070 0.000 0.652 480 A CB -0.468 18.582 19.000 0.084 0.000 0.808 480 A HN 0.505 nan 8.150 nan 0.000 0.449 481 R N -0.660 119.860 120.500 0.034 0.000 2.091 481 R HA -0.108 4.312 4.340 0.134 0.000 0.238 481 R C 2.169 178.538 176.300 0.116 0.000 1.136 481 R CA 1.413 57.533 56.100 0.033 0.000 0.959 481 R CB -0.489 29.808 30.300 -0.006 0.000 0.856 481 R HN 0.509 nan 8.270 nan 0.000 0.437 482 L N 1.465 122.757 121.223 0.114 0.000 1.994 482 L HA -0.162 4.258 4.340 0.134 0.000 0.208 482 L C 2.010 179.028 176.870 0.246 0.000 1.071 482 L CA 1.817 56.753 54.840 0.160 0.000 0.745 482 L CB -0.784 41.357 42.059 0.136 0.000 0.892 482 L HN 0.208 nan 8.230 nan 0.000 0.431 483 I N 0.195 120.877 120.570 0.187 0.000 2.151 483 I HA -0.377 3.873 4.170 0.134 0.000 0.243 483 I C 2.776 179.047 176.117 0.258 0.000 1.080 483 I CA 1.549 62.966 61.300 0.195 0.000 1.339 483 I CB -0.392 37.676 38.000 0.114 0.000 1.039 483 I HN 0.302 nan 8.210 nan 0.000 0.409 484 R N 0.650 121.279 120.500 0.215 0.000 2.120 484 R HA -0.099 4.321 4.340 0.134 0.000 0.234 484 R C 2.417 178.907 176.300 0.317 0.000 1.123 484 R CA 1.216 57.479 56.100 0.271 0.000 0.975 484 R CB -0.448 29.969 30.300 0.195 0.000 0.866 484 R HN 0.397 nan 8.270 nan 0.000 0.446 485 A N 0.562 123.459 122.820 0.128 0.000 2.024 485 A HA -0.149 4.251 4.320 0.134 0.000 0.220 485 A C 1.631 179.055 177.584 -0.267 0.000 1.164 485 A CA 1.200 53.067 52.037 -0.284 0.000 0.643 485 A CB -0.528 18.254 19.000 -0.363 0.000 0.806 485 A HN 0.252 nan 8.150 nan 0.000 0.451 486 F N -0.791 119.116 119.950 -0.072 0.000 2.780 486 F HA 0.085 4.691 4.527 0.132 0.000 0.299 486 F C 0.857 176.578 175.800 -0.132 0.000 1.146 486 F CA 0.615 58.568 58.000 -0.079 0.000 1.428 486 F CB 0.051 39.047 39.000 -0.006 0.000 1.115 486 F HN 0.293 nan 8.300 nan 0.000 0.583 487 D N 0.145 120.520 120.400 -0.041 0.000 2.705 487 D HA -0.147 4.573 4.640 0.134 0.000 0.240 487 D C -2.384 173.919 176.300 0.004 0.000 1.137 487 D CA -0.136 53.697 54.000 -0.279 0.000 0.677 487 D CB -0.475 39.847 40.800 -0.796 0.000 1.049 487 D HN 0.109 nan 8.370 nan 0.000 0.427 491 G N 0.203 109.088 108.800 0.142 0.000 2.459 491 G HA2 -0.262 3.778 3.960 0.134 0.000 0.217 491 G HA3 -0.262 3.778 3.960 0.134 0.000 0.217 491 G C 1.599 176.572 174.900 0.121 0.000 1.183 491 G CA 1.394 46.566 45.100 0.120 0.000 0.776 491 G HN 0.364 nan 8.290 nan 0.000 0.552 492 C N 0.900 120.296 119.300 0.160 0.000 2.413 492 C HA 0.067 4.607 4.460 0.134 0.000 0.276 492 C C 3.574 178.763 174.990 0.331 0.000 1.236 492 C CA 1.102 60.267 59.018 0.246 0.000 1.735 492 C CB -1.021 26.883 27.740 0.275 0.000 2.031 492 C HN 0.584 nan 8.230 nan 0.000 0.474 493 A N -0.450 122.516 122.820 0.245 0.000 1.933 493 A HA -0.080 4.320 4.320 0.134 0.000 0.218 493 A C 2.187 179.859 177.584 0.147 0.000 1.175 493 A CA 2.412 54.577 52.037 0.213 0.000 0.628 493 A CB -0.424 18.676 19.000 0.167 0.000 0.814 493 A HN 0.418 nan 8.150 nan 0.000 0.444 494 V N -0.121 119.859 119.914 0.110 0.000 2.581 494 V HA 0.078 4.278 4.120 0.134 0.000 0.240 494 V C 0.959 176.815 176.094 -0.398 0.000 1.054 494 V CA 0.693 62.986 62.300 -0.011 0.000 1.076 494 V CB -0.969 30.986 31.823 0.221 0.000 0.748 494 V HN 0.875 nan 8.190 nan 0.000 0.474 495 H N 0.000 119.119 119.070 0.081 0.000 2.539 495 H HA 0.000 4.636 4.556 0.134 0.000 0.296 495 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 495 H CB 0.000 29.671 29.762 -0.152 0.000 1.292 495 H HN 0.000 nan 8.280 nan 0.000 0.496