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 2bui_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 K N 2.052 122.458 120.400 0.010 0.000 2.436 2 K HA 0.372 4.692 4.320 -0.000 0.000 0.275 2 K C -0.675 175.929 176.600 0.006 0.000 0.999 2 K CA 0.220 56.511 56.287 0.006 0.000 0.980 2 K CB 0.293 32.793 32.500 0.000 0.000 0.919 2 K HN 0.541 nan 8.250 nan 0.000 0.484 3 R N 0.447 120.949 120.500 0.003 0.000 2.532 3 R HA 0.550 4.890 4.340 -0.000 0.000 0.295 3 R C -0.514 175.781 176.300 -0.009 0.000 0.968 3 R CA -0.696 55.406 56.100 0.002 0.000 0.916 3 R CB 1.769 32.072 30.300 0.004 0.000 1.124 3 R HN 0.660 nan 8.270 nan 0.000 0.463 4 A N 2.265 125.077 122.820 -0.013 0.000 2.318 4 A HA 0.636 4.956 4.320 -0.000 0.000 0.324 4 A C -0.406 177.161 177.584 -0.028 0.000 1.170 4 A CA -0.669 51.349 52.037 -0.030 0.000 0.810 4 A CB 1.053 20.027 19.000 -0.043 0.000 1.198 4 A HN 0.522 nan 8.150 nan 0.000 0.484 5 V N 0.125 120.018 119.914 -0.035 0.000 3.001 5 V HA 0.720 4.840 4.120 -0.000 0.000 0.314 5 V C -0.423 175.652 176.094 -0.032 0.000 1.099 5 V CA -0.924 61.359 62.300 -0.028 0.000 0.989 5 V CB 1.708 33.515 31.823 -0.025 0.000 1.040 5 V HN 0.679 nan 8.190 nan 0.000 0.434 6 I N 2.606 123.174 120.570 -0.004 0.000 2.307 6 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 6 I C 1.020 177.205 176.117 0.114 0.000 1.021 6 I CA -0.028 61.283 61.300 0.018 0.000 1.224 6 I CB 1.897 39.896 38.000 -0.000 0.000 1.376 6 I HN 0.974 nan 8.210 nan 0.000 0.470 7 T N 0.896 115.501 114.554 0.084 0.000 3.134 7 T HA 0.464 4.814 4.350 -0.000 0.000 0.260 7 T C 0.407 175.244 174.700 0.228 0.000 1.027 7 T CA -0.430 61.739 62.100 0.115 0.000 0.913 7 T CB 0.315 69.201 68.868 0.031 0.000 1.046 7 T HN 0.743 nan 8.240 nan 0.000 0.553 8 G N 1.292 110.249 108.800 0.262 0.000 2.556 8 G HA2 0.520 4.480 3.960 -0.000 0.000 0.294 8 G HA3 0.520 4.480 3.960 -0.000 0.000 0.294 8 G C -2.065 172.876 174.900 0.068 0.000 1.516 8 G CA -0.921 44.329 45.100 0.250 0.000 0.824 8 G HN 0.670 nan 8.290 nan 0.000 0.535 9 L N -1.159 120.079 121.223 0.025 0.000 2.469 9 L HA 1.061 5.401 4.340 -0.000 0.000 0.256 9 L C -0.019 176.823 176.870 -0.046 0.000 1.006 9 L CA -0.815 53.972 54.840 -0.088 0.000 0.832 9 L CB 1.764 43.670 42.059 -0.255 0.000 1.421 9 L HN 1.367 nan 8.230 nan 0.000 0.410 10 G N 0.680 109.440 108.800 -0.066 0.000 2.733 10 G HA2 0.779 4.739 3.960 -0.000 0.000 0.297 10 G HA3 0.779 4.739 3.960 -0.000 0.000 0.297 10 G C -2.073 172.796 174.900 -0.053 0.000 1.422 10 G CA -0.648 44.423 45.100 -0.048 0.000 0.942 10 G HN 1.036 nan 8.290 nan 0.000 0.510 11 I N 0.458 121.010 120.570 -0.030 0.000 2.842 11 I HA 0.601 4.771 4.170 -0.000 0.000 0.297 11 I C -1.571 174.535 176.117 -0.018 0.000 1.380 11 I CA -0.957 60.323 61.300 -0.033 0.000 1.018 11 I CB 2.332 40.310 38.000 -0.037 0.000 1.311 11 I HN 0.355 nan 8.210 nan 0.000 0.439 12 V N 6.317 126.205 119.914 -0.042 0.000 2.398 12 V HA 0.532 4.652 4.120 -0.000 0.000 0.282 12 V C -0.245 175.754 176.094 -0.158 0.000 1.014 12 V CA -0.173 62.078 62.300 -0.082 0.000 0.838 12 V CB 1.215 32.996 31.823 -0.070 0.000 1.018 12 V HN 0.814 nan 8.190 nan 0.000 0.432 13 S N 2.372 118.009 115.700 -0.104 0.000 2.704 13 S HA 0.464 4.934 4.470 -0.000 0.000 0.296 13 S C 1.212 175.751 174.600 -0.100 0.000 1.138 13 S CA 0.105 58.247 58.200 -0.098 0.000 0.875 13 S CB 1.829 65.056 63.200 0.045 0.000 1.151 13 S HN 0.830 nan 8.310 nan 0.000 0.500 14 S N 0.495 116.142 115.700 -0.089 0.000 2.442 14 S HA -0.099 4.371 4.470 -0.000 0.000 0.236 14 S C 1.453 176.026 174.600 -0.045 0.000 1.007 14 S CA 1.145 59.297 58.200 -0.079 0.000 0.965 14 S CB -1.151 62.014 63.200 -0.059 0.000 0.773 14 S HN 1.021 nan 8.310 nan 0.000 0.504 15 I N -2.415 118.135 120.570 -0.034 0.000 3.914 15 I HA 0.668 4.838 4.170 -0.000 0.000 0.333 15 I C 0.536 176.635 176.117 -0.031 0.000 1.449 15 I CA -0.404 60.871 61.300 -0.042 0.000 1.135 15 I CB 0.105 38.055 38.000 -0.084 0.000 1.073 15 I HN 0.288 nan 8.210 nan 0.000 0.401 16 G N 1.224 110.011 108.800 -0.021 0.000 2.308 16 G HA2 0.005 3.965 3.960 -0.000 0.000 0.288 16 G HA3 0.005 3.965 3.960 -0.000 0.000 0.288 16 G C -0.732 174.161 174.900 -0.011 0.000 1.722 16 G CA -0.678 44.415 45.100 -0.012 0.000 0.924 16 G HN 0.030 nan 8.290 nan 0.000 0.732 17 N N 0.286 118.980 118.700 -0.010 0.000 2.383 17 N HA 0.077 4.817 4.740 -0.000 0.000 0.192 17 N C 0.435 175.949 175.510 0.006 0.000 1.141 17 N CA 0.826 53.871 53.050 -0.008 0.000 0.851 17 N CB 0.206 38.693 38.487 -0.000 0.000 0.976 17 N HN 0.839 nan 8.380 nan 0.000 0.465 18 N N -1.761 116.946 118.700 0.011 0.000 3.227 18 N HA -0.029 4.711 4.740 -0.000 0.000 0.241 18 N C 0.357 175.883 175.510 0.028 0.000 1.480 18 N CA -0.694 52.367 53.050 0.019 0.000 0.886 18 N CB 0.483 38.982 38.487 0.019 0.000 1.406 18 N HN -0.150 nan 8.380 nan 0.000 0.514 19 Q N -1.053 118.769 119.800 0.037 0.000 2.226 19 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 19 Q C 0.715 176.739 176.000 0.038 0.000 0.975 19 Q CA 1.615 57.451 55.803 0.055 0.000 0.866 19 Q CB -0.307 28.477 28.738 0.077 0.000 0.915 19 Q HN 0.648 nan 8.270 nan 0.000 0.440 20 Q N 1.230 121.042 119.800 0.020 0.000 2.046 20 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 20 Q C 1.796 177.779 176.000 -0.029 0.000 0.975 20 Q CA 1.897 57.693 55.803 -0.011 0.000 0.836 20 Q CB 0.034 28.768 28.738 -0.006 0.000 0.896 20 Q HN 0.560 nan 8.270 nan 0.000 0.428 21 E N -0.330 119.862 120.200 -0.014 0.000 2.072 21 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 21 E C 1.999 178.584 176.600 -0.026 0.000 0.985 21 E CA 1.179 57.566 56.400 -0.023 0.000 0.801 21 E CB 0.007 29.699 29.700 -0.013 0.000 0.750 21 E HN 0.107 nan 8.360 nan 0.000 0.452 22 V N 1.532 121.447 119.914 0.001 0.000 2.343 22 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 22 V C 2.307 178.394 176.094 -0.011 0.000 1.051 22 V CA 1.424 63.731 62.300 0.013 0.000 1.036 22 V CB -0.389 31.499 31.823 0.108 0.000 0.654 22 V HN 0.238 nan 8.190 nan 0.000 0.451 23 L N 1.039 122.256 121.223 -0.010 0.000 1.989 23 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 23 L C 2.479 179.259 176.870 -0.150 0.000 1.071 23 L CA 2.548 57.355 54.840 -0.056 0.000 0.749 23 L CB -1.144 40.819 42.059 -0.160 0.000 0.890 23 L HN 0.229 nan 8.230 nan 0.000 0.431 24 A N -1.365 121.372 122.820 -0.139 0.000 1.892 24 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 24 A C 2.404 179.911 177.584 -0.128 0.000 1.188 24 A CA 2.277 54.226 52.037 -0.146 0.000 0.631 24 A CB -1.139 17.800 19.000 -0.102 0.000 0.822 24 A HN 0.569 nan 8.150 nan 0.000 0.447 25 S N -0.245 115.398 115.700 -0.095 0.000 2.356 25 S HA -0.104 4.366 4.470 -0.000 0.000 0.223 25 S C 1.831 176.375 174.600 -0.094 0.000 1.032 25 S CA 1.492 59.639 58.200 -0.088 0.000 1.005 25 S CB -0.478 62.671 63.200 -0.084 0.000 0.867 25 S HN 0.504 nan 8.310 nan 0.000 0.449 26 L N 0.736 121.909 121.223 -0.083 0.000 2.083 26 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 26 L C 2.674 179.549 176.870 0.008 0.000 1.083 26 L CA 1.260 56.096 54.840 -0.007 0.000 0.752 26 L CB -0.381 41.770 42.059 0.154 0.000 0.899 26 L HN 0.217 nan 8.230 nan 0.000 0.433 27 R N -0.131 120.257 120.500 -0.187 0.000 2.115 27 R HA -0.103 4.237 4.340 -0.000 0.000 0.226 27 R C 1.721 177.931 176.300 -0.150 0.000 1.100 27 R CA 0.932 56.849 56.100 -0.304 0.000 0.980 27 R CB -0.018 29.979 30.300 -0.507 0.000 0.875 27 R HN 0.425 nan 8.270 nan 0.000 0.445 28 E N -0.544 119.586 120.200 -0.117 0.000 2.479 28 E HA 0.079 4.429 4.350 -0.000 0.000 0.193 28 E C 0.521 177.090 176.600 -0.052 0.000 1.049 28 E CA 0.235 56.587 56.400 -0.079 0.000 0.870 28 E CB 0.688 30.343 29.700 -0.075 0.000 0.944 28 E HN 0.433 nan 8.360 nan 0.000 0.492 29 G N 2.927 111.700 108.800 -0.045 0.000 2.283 29 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.280 29 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.280 29 G C 0.109 174.987 174.900 -0.037 0.000 1.029 29 G CA 0.493 45.573 45.100 -0.033 0.000 0.840 29 G HN 0.233 nan 8.290 nan 0.000 0.505 30 R N 0.293 120.764 120.500 -0.048 0.000 2.347 30 R HA 0.452 4.792 4.340 -0.000 0.000 0.304 30 R C 0.703 176.979 176.300 -0.040 0.000 1.072 30 R CA 0.279 56.355 56.100 -0.040 0.000 0.980 30 R CB 0.492 30.766 30.300 -0.044 0.000 0.986 30 R HN 0.254 nan 8.270 nan 0.000 0.448 31 S N 2.014 117.701 115.700 -0.022 0.000 2.565 31 S HA 0.274 4.744 4.470 -0.000 0.000 0.274 31 S C 0.825 175.424 174.600 -0.001 0.000 1.309 31 S CA -0.247 57.946 58.200 -0.012 0.000 1.043 31 S CB 1.286 64.488 63.200 0.004 0.000 0.939 31 S HN 0.784 nan 8.310 nan 0.000 0.504 32 G N 3.948 112.748 108.800 0.001 0.000 3.393 32 G HA2 0.248 4.208 3.960 -0.000 0.000 0.255 32 G HA3 0.248 4.208 3.960 -0.000 0.000 0.255 32 G C 0.048 174.978 174.900 0.050 0.000 1.097 32 G CA -0.263 44.843 45.100 0.011 0.000 0.780 32 G HN 0.608 nan 8.290 nan 0.000 0.540 33 I N 2.644 123.257 120.570 0.072 0.000 2.395 33 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 33 I C 0.689 176.905 176.117 0.164 0.000 1.023 33 I CA -0.285 61.092 61.300 0.130 0.000 1.350 33 I CB 0.516 38.582 38.000 0.110 0.000 1.409 33 I HN 0.095 nan 8.210 nan 0.000 0.507 34 T N 2.732 117.438 114.554 0.253 0.000 2.804 34 T HA 0.549 4.899 4.350 -0.000 0.000 0.290 34 T C -0.519 174.317 174.700 0.226 0.000 1.099 34 T CA -0.723 61.527 62.100 0.250 0.000 1.011 34 T CB 1.737 70.767 68.868 0.270 0.000 1.291 34 T HN 0.192 nan 8.240 nan 0.000 0.523 35 F N 1.375 121.366 119.950 0.069 0.000 2.429 35 F HA 0.601 5.128 4.527 -0.000 0.000 0.348 35 F C 0.380 176.078 175.800 -0.171 0.000 1.109 35 F CA -0.316 57.667 58.000 -0.028 0.000 1.232 35 F CB 1.117 40.114 39.000 -0.004 0.000 1.157 35 F HN 0.650 nan 8.300 nan 0.000 0.564 36 S N 4.777 119.551 115.700 -1.544 0.000 2.667 36 S HA 0.185 4.655 4.470 -0.000 0.000 0.304 36 S C 0.540 174.280 174.600 -1.432 0.000 1.135 36 S CA -0.638 56.637 58.200 -1.542 0.000 1.125 36 S CB 1.099 62.947 63.200 -2.254 0.000 0.996 36 S HN 0.872 nan 8.310 nan 0.000 0.474 37 Q N 3.196 122.471 119.800 -0.876 0.000 2.170 37 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 37 Q C 1.730 177.495 176.000 -0.392 0.000 0.976 37 Q CA 2.197 57.747 55.803 -0.423 0.000 0.858 37 Q CB -0.126 28.576 28.738 -0.060 0.000 0.907 37 Q HN 0.898 nan 8.270 nan 0.000 0.433 38 E N -0.595 119.360 120.200 -0.408 0.000 2.051 38 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 38 E C 1.803 178.225 176.600 -0.296 0.000 0.991 38 E CA 1.309 57.558 56.400 -0.252 0.000 0.799 38 E CB -0.159 29.512 29.700 -0.048 0.000 0.748 38 E HN 0.452 nan 8.360 nan 0.000 0.449 39 L N 0.596 121.546 121.223 -0.455 0.000 2.056 39 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 39 L C 2.836 179.520 176.870 -0.310 0.000 1.078 39 L CA 1.273 55.946 54.840 -0.278 0.000 0.749 39 L CB -0.476 41.403 42.059 -0.300 0.000 0.901 39 L HN 0.137 nan 8.230 nan 0.000 0.433 40 K N 0.330 120.423 120.400 -0.512 0.000 2.026 40 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 40 K C 1.651 178.030 176.600 -0.368 0.000 1.048 40 K CA 1.806 57.703 56.287 -0.650 0.000 0.929 40 K CB 0.006 32.089 32.500 -0.695 0.000 0.713 40 K HN 0.202 nan 8.250 nan 0.000 0.439 41 D N 0.234 120.450 120.400 -0.307 0.000 2.218 41 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 41 D C 1.831 177.946 176.300 -0.309 0.000 0.976 41 D CA 1.459 55.305 54.000 -0.256 0.000 0.853 41 D CB -0.109 40.555 40.800 -0.227 0.000 0.939 41 D HN 0.349 nan 8.370 nan 0.000 0.481 42 S N -0.896 114.584 115.700 -0.366 0.000 2.561 42 S HA 0.167 4.637 4.470 -0.000 0.000 0.225 42 S C 1.709 176.158 174.600 -0.251 0.000 0.977 42 S CA 0.770 58.690 58.200 -0.467 0.000 0.926 42 S CB 0.163 63.076 63.200 -0.479 0.000 0.769 42 S HN 0.309 nan 8.310 nan 0.000 0.533 43 G N 0.666 109.363 108.800 -0.172 0.000 2.131 43 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.223 43 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.223 43 G C -0.064 174.833 174.900 -0.005 0.000 0.990 43 G CA 0.173 45.224 45.100 -0.083 0.000 0.671 43 G HN 0.500 nan 8.290 nan 0.000 0.521 44 M N -0.714 118.894 119.600 0.013 0.000 2.247 44 M HA 0.447 4.927 4.480 -0.000 0.000 0.326 44 M C 1.825 178.244 176.300 0.198 0.000 1.134 44 M CA -0.313 55.045 55.300 0.097 0.000 1.136 44 M CB 0.719 33.386 32.600 0.111 0.000 1.454 44 M HN 0.151 nan 8.290 nan 0.000 0.467 45 R N -0.290 120.295 120.500 0.143 0.000 2.173 45 R HA 0.089 4.429 4.340 -0.000 0.000 0.208 45 R C 0.454 176.722 176.300 -0.053 0.000 1.035 45 R CA 0.283 56.429 56.100 0.076 0.000 1.004 45 R CB 0.181 30.489 30.300 0.014 0.000 0.917 45 R HN 0.533 nan 8.270 nan 0.000 0.462 46 S N 0.489 116.224 115.700 0.060 0.000 2.439 46 S HA 0.116 4.586 4.470 -0.000 0.000 0.282 46 S C -0.016 174.684 174.600 0.167 0.000 1.170 46 S CA -0.558 57.656 58.200 0.023 0.000 1.054 46 S CB 0.277 63.490 63.200 0.022 0.000 0.956 46 S HN 0.343 nan 8.310 nan 0.000 0.490 47 H N 2.868 121.901 119.070 -0.062 0.000 2.528 47 H HA 0.312 4.868 4.556 -0.000 0.000 0.282 47 H C 0.031 175.172 175.328 -0.312 0.000 1.097 47 H CA -0.570 55.352 56.048 -0.209 0.000 1.121 47 H CB 0.525 30.264 29.762 -0.040 0.000 1.590 47 H HN 0.455 nan 8.280 nan 0.000 0.553 48 V N -1.502 118.387 119.914 -0.042 0.000 2.823 48 V HA 0.609 4.729 4.120 -0.000 0.000 0.312 48 V C -1.269 174.905 176.094 0.133 0.000 1.072 48 V CA -0.906 61.392 62.300 -0.003 0.000 0.937 48 V CB 2.021 33.909 31.823 0.108 0.000 1.013 48 V HN 0.386 nan 8.190 nan 0.000 0.430 49 W N 1.583 122.897 121.300 0.023 0.000 3.066 49 W HA 0.833 5.493 4.660 -0.000 0.000 0.330 49 W C -0.303 176.233 176.519 0.028 0.000 1.253 49 W CA -1.772 55.589 57.345 0.028 0.000 1.187 49 W CB 0.908 30.380 29.460 0.019 0.000 1.434 49 W HN 1.017 nan 8.180 nan 0.000 0.572 50 G N 2.035 110.943 108.800 0.179 0.000 2.922 50 G HA2 0.389 4.349 3.960 -0.000 0.000 0.335 50 G HA3 0.389 4.349 3.960 -0.000 0.000 0.335 50 G C -0.471 174.305 174.900 -0.207 0.000 1.016 50 G CA -0.834 44.277 45.100 0.018 0.000 1.306 50 G HN 0.621 nan 8.290 nan 0.000 0.465 51 N N 0.142 118.641 118.700 -0.335 0.000 2.515 51 N HA 0.410 5.150 4.740 -0.000 0.000 0.279 51 N C -0.419 174.922 175.510 -0.282 0.000 1.164 51 N CA -0.882 51.857 53.050 -0.518 0.000 0.982 51 N CB 2.022 40.135 38.487 -0.624 0.000 1.170 51 N HN -0.003 nan 8.380 nan 0.000 0.474 52 V N 1.440 121.170 119.914 -0.307 0.000 2.427 52 V HA 0.060 4.180 4.120 -0.000 0.000 0.268 52 V C 0.416 176.434 176.094 -0.126 0.000 1.046 52 V CA -0.468 61.678 62.300 -0.256 0.000 0.970 52 V CB 0.353 31.912 31.823 -0.441 0.000 1.001 52 V HN 0.801 nan 8.190 nan 0.000 0.476 53 K N 5.776 126.131 120.400 -0.075 0.000 2.319 53 K HA 0.566 4.886 4.320 -0.000 0.000 0.237 53 K C -1.103 175.493 176.600 -0.006 0.000 1.113 53 K CA -0.536 55.740 56.287 -0.019 0.000 1.072 53 K CB 0.864 33.365 32.500 0.001 0.000 1.734 53 K HN 0.409 nan 8.250 nan 0.000 0.429 54 L N 0.985 122.212 121.223 0.008 0.000 2.562 54 L HA 0.305 4.645 4.340 -0.000 0.000 0.266 54 L C -1.774 175.126 176.870 0.050 0.000 0.949 54 L CA -0.383 54.473 54.840 0.027 0.000 0.879 54 L CB 2.119 44.193 42.059 0.025 0.000 1.278 54 L HN 0.387 nan 8.230 nan 0.000 0.404 55 D N 2.239 122.665 120.400 0.043 0.000 2.342 55 D HA 0.176 4.816 4.640 -0.000 0.000 0.260 55 D C 1.137 177.465 176.300 0.047 0.000 1.278 55 D CA 0.754 54.779 54.000 0.043 0.000 0.910 55 D CB 1.116 41.935 40.800 0.032 0.000 1.079 55 D HN 0.694 nan 8.370 nan 0.000 0.496 56 T N 0.173 114.761 114.554 0.056 0.000 3.148 56 T HA 0.020 4.370 4.350 -0.000 0.000 0.253 56 T C 0.749 175.457 174.700 0.014 0.000 1.134 56 T CA -0.336 61.795 62.100 0.051 0.000 1.051 56 T CB -0.386 68.522 68.868 0.067 0.000 0.959 56 T HN 0.243 nan 8.240 nan 0.000 0.525 57 T N 2.411 116.970 114.554 0.008 0.000 2.867 57 T HA 0.420 4.770 4.350 -0.000 0.000 0.297 57 T C 1.501 176.194 174.700 -0.012 0.000 0.989 57 T CA 0.768 62.862 62.100 -0.010 0.000 1.159 57 T CB 0.122 68.988 68.868 -0.004 0.000 0.928 57 T HN 0.735 nan 8.240 nan 0.000 0.538 58 G N 2.758 111.540 108.800 -0.031 0.000 2.168 58 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.263 58 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.263 58 G C 0.804 175.692 174.900 -0.020 0.000 0.977 58 G CA 0.312 45.394 45.100 -0.030 0.000 0.659 58 G HN 0.702 nan 8.290 nan 0.000 0.533 59 L N -0.512 120.704 121.223 -0.012 0.000 2.492 59 L HA 0.387 4.727 4.340 -0.000 0.000 0.223 59 L C 1.175 178.048 176.870 0.005 0.000 1.132 59 L CA 0.599 55.451 54.840 0.020 0.000 0.850 59 L CB -0.023 42.070 42.059 0.056 0.000 0.966 59 L HN 0.282 nan 8.230 nan 0.000 0.454 60 I N -0.858 119.659 120.570 -0.087 0.000 2.545 60 I HA 0.174 4.344 4.170 -0.000 0.000 0.292 60 I C -0.439 175.564 176.117 -0.189 0.000 1.040 60 I CA -0.902 60.273 61.300 -0.208 0.000 1.068 60 I CB 2.340 40.071 38.000 -0.447 0.000 1.251 60 I HN -0.171 nan 8.210 nan 0.000 0.424 61 D N 3.642 123.935 120.400 -0.177 0.000 2.525 61 D HA -0.030 4.610 4.640 -0.000 0.000 0.235 61 D C 1.580 177.778 176.300 -0.171 0.000 1.137 61 D CA 0.248 54.167 54.000 -0.136 0.000 0.868 61 D CB 0.915 41.650 40.800 -0.109 0.000 1.180 61 D HN 0.548 nan 8.370 nan 0.000 0.465 62 R N 3.671 124.086 120.500 -0.143 0.000 2.105 62 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 62 R C 1.709 177.885 176.300 -0.207 0.000 1.135 62 R CA 1.592 57.586 56.100 -0.175 0.000 0.967 62 R CB -0.487 29.727 30.300 -0.143 0.000 0.861 62 R HN 0.497 nan 8.270 nan 0.000 0.442 63 K N 0.883 121.198 120.400 -0.141 0.000 2.283 63 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 63 K C 1.603 178.179 176.600 -0.040 0.000 1.048 63 K CA 1.306 57.533 56.287 -0.099 0.000 0.948 63 K CB 0.110 32.600 32.500 -0.017 0.000 0.742 63 K HN 0.121 nan 8.250 nan 0.000 0.458 64 V N 0.867 120.720 119.914 -0.102 0.000 2.436 64 V HA -0.122 3.998 4.120 -0.000 0.000 0.240 64 V C 2.125 178.120 176.094 -0.164 0.000 1.040 64 V CA 0.834 63.079 62.300 -0.092 0.000 1.052 64 V CB 0.234 31.912 31.823 -0.241 0.000 0.707 64 V HN 0.200 nan 8.190 nan 0.000 0.469 65 V N 2.391 122.131 119.914 -0.290 0.000 2.720 65 V HA -0.219 3.901 4.120 -0.000 0.000 0.256 65 V C 2.705 178.586 176.094 -0.355 0.000 1.082 65 V CA 2.232 64.342 62.300 -0.317 0.000 1.101 65 V CB -0.714 30.928 31.823 -0.301 0.000 0.693 65 V HN 0.712 nan 8.190 nan 0.000 0.479 66 R N -1.327 118.882 120.500 -0.486 0.000 2.285 66 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 66 R C 1.596 177.335 176.300 -0.936 0.000 1.068 66 R CA 1.736 57.348 56.100 -0.814 0.000 1.004 66 R CB -0.534 29.063 30.300 -1.172 0.000 0.873 66 R HN 0.515 nan 8.270 nan 0.000 0.467 67 F N 0.680 120.393 119.950 -0.394 0.000 2.695 67 F HA 0.380 4.907 4.527 -0.000 0.000 0.303 67 F C 0.793 176.441 175.800 -0.253 0.000 1.091 67 F CA -0.546 57.307 58.000 -0.246 0.000 1.300 67 F CB 0.360 39.279 39.000 -0.135 0.000 1.071 67 F HN -0.128 nan 8.300 nan 0.000 0.578 68 M N 0.007 119.502 119.600 -0.174 0.000 2.409 68 M HA 0.372 4.852 4.480 -0.000 0.000 0.329 68 M C 0.308 176.402 176.300 -0.343 0.000 1.180 68 M CA -0.613 54.562 55.300 -0.208 0.000 1.053 68 M CB 1.619 34.103 32.600 -0.192 0.000 1.586 68 M HN -0.024 nan 8.290 nan 0.000 0.461 69 S N -0.697 114.848 115.700 -0.258 0.000 2.739 69 S HA 0.375 4.845 4.470 -0.000 0.000 0.306 69 S C 0.214 174.722 174.600 -0.153 0.000 1.115 69 S CA -0.848 57.234 58.200 -0.197 0.000 0.985 69 S CB 1.319 64.486 63.200 -0.054 0.000 1.133 69 S HN 0.667 nan 8.310 nan 0.000 0.541 70 D N 1.287 121.607 120.400 -0.133 0.000 2.133 70 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 70 D C 2.216 178.177 176.300 -0.565 0.000 0.997 70 D CA 2.011 55.742 54.000 -0.448 0.000 0.840 70 D CB -0.915 39.630 40.800 -0.426 0.000 0.947 70 D HN 0.697 nan 8.370 nan 0.000 0.452 71 A N 0.505 123.195 122.820 -0.216 0.000 1.892 71 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 71 A C 2.460 180.027 177.584 -0.028 0.000 1.188 71 A CA 2.274 54.282 52.037 -0.049 0.000 0.631 71 A CB -0.703 18.314 19.000 0.029 0.000 0.822 71 A HN 0.209 nan 8.150 nan 0.000 0.447 72 S N -0.403 115.268 115.700 -0.049 0.000 2.383 72 S HA -0.057 4.413 4.470 -0.000 0.000 0.227 72 S C 1.781 176.394 174.600 0.022 0.000 1.026 72 S CA 1.310 59.514 58.200 0.006 0.000 0.981 72 S CB -0.451 62.739 63.200 -0.018 0.000 0.818 72 S HN 0.538 nan 8.310 nan 0.000 0.472 73 I N 0.298 120.802 120.570 -0.109 0.000 2.252 73 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 73 I C 1.998 178.169 176.117 0.089 0.000 1.102 73 I CA 1.255 62.504 61.300 -0.084 0.000 1.385 73 I CB -0.400 37.462 38.000 -0.231 0.000 1.064 73 I HN 0.261 nan 8.210 nan 0.000 0.414 74 Y N 0.900 121.240 120.300 0.066 0.000 2.181 74 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 74 Y C 2.679 178.620 175.900 0.069 0.000 1.146 74 Y CA 0.699 58.832 58.100 0.054 0.000 1.164 74 Y CB -1.326 37.145 38.460 0.018 0.000 0.982 74 Y HN 0.112 nan 8.280 nan 0.000 0.515 75 A N -0.334 122.622 122.820 0.227 0.000 1.898 75 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 75 A C 2.206 179.883 177.584 0.155 0.000 1.181 75 A CA 1.310 53.434 52.037 0.145 0.000 0.620 75 A CB -1.375 17.693 19.000 0.113 0.000 0.819 75 A HN 0.420 nan 8.150 nan 0.000 0.442 76 F N 0.729 120.732 119.950 0.088 0.000 2.069 76 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 76 F C 1.970 177.859 175.800 0.148 0.000 1.113 76 F CA 2.054 60.150 58.000 0.159 0.000 1.214 76 F CB -0.271 38.797 39.000 0.112 0.000 0.978 76 F HN 0.149 nan 8.300 nan 0.000 0.474 77 L N -0.622 120.823 121.223 0.369 0.000 2.079 77 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 77 L C 2.491 179.393 176.870 0.054 0.000 1.081 77 L CA 1.458 56.432 54.840 0.224 0.000 0.752 77 L CB -0.904 41.295 42.059 0.235 0.000 0.896 77 L HN 0.107 nan 8.230 nan 0.000 0.433 78 S N -0.577 115.146 115.700 0.038 0.000 2.402 78 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 78 S C 1.898 176.420 174.600 -0.130 0.000 1.021 78 S CA 1.366 59.548 58.200 -0.030 0.000 0.974 78 S CB -0.158 63.031 63.200 -0.018 0.000 0.800 78 S HN 0.353 nan 8.310 nan 0.000 0.484 79 M N 1.322 120.781 119.600 -0.235 0.000 2.200 79 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 79 M C 1.926 177.898 176.300 -0.548 0.000 1.066 79 M CA 1.330 56.324 55.300 -0.509 0.000 1.127 79 M CB -0.100 31.991 32.600 -0.848 0.000 1.379 79 M HN 0.210 nan 8.290 nan 0.000 0.420 80 E N -0.118 119.863 120.200 -0.366 0.000 2.085 80 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 80 E C 2.030 178.551 176.600 -0.132 0.000 0.994 80 E CA 1.661 57.942 56.400 -0.198 0.000 0.801 80 E CB -0.203 29.469 29.700 -0.046 0.000 0.743 80 E HN 0.671 nan 8.360 nan 0.000 0.453 81 Q N 0.217 119.961 119.800 -0.093 0.000 2.061 81 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 81 Q C 2.270 178.240 176.000 -0.050 0.000 0.984 81 Q CA 1.444 57.221 55.803 -0.044 0.000 0.846 81 Q CB -0.225 28.499 28.738 -0.023 0.000 0.902 81 Q HN 0.240 nan 8.270 nan 0.000 0.421 82 A N 0.922 123.686 122.820 -0.094 0.000 1.908 82 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 82 A C 2.049 179.609 177.584 -0.040 0.000 1.181 82 A CA 1.294 53.299 52.037 -0.055 0.000 0.627 82 A CB -0.704 18.255 19.000 -0.067 0.000 0.818 82 A HN 0.324 nan 8.150 nan 0.000 0.445 83 I N -0.432 120.043 120.570 -0.158 0.000 2.226 83 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 83 I C 2.960 179.056 176.117 -0.035 0.000 1.100 83 I CA 1.102 62.308 61.300 -0.156 0.000 1.374 83 I CB -0.324 37.452 38.000 -0.373 0.000 1.057 83 I HN 0.377 nan 8.210 nan 0.000 0.413 84 A N 0.227 123.033 122.820 -0.023 0.000 1.898 84 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 84 A C 1.993 179.598 177.584 0.034 0.000 1.181 84 A CA 2.133 54.181 52.037 0.018 0.000 0.620 84 A CB -0.637 18.373 19.000 0.018 0.000 0.819 84 A HN 0.433 nan 8.150 nan 0.000 0.442 85 D N -0.140 120.286 120.400 0.044 0.000 2.144 85 D HA 0.004 4.644 4.640 -0.000 0.000 0.200 85 D C 1.875 178.237 176.300 0.104 0.000 0.978 85 D CA 1.410 55.460 54.000 0.084 0.000 0.833 85 D CB -0.157 40.720 40.800 0.128 0.000 0.961 85 D HN 0.323 nan 8.370 nan 0.000 0.470 86 A N -0.593 122.283 122.820 0.093 0.000 2.119 86 A HA 0.330 4.650 4.320 -0.000 0.000 0.217 86 A C 1.909 179.537 177.584 0.073 0.000 1.153 86 A CA 1.231 53.324 52.037 0.094 0.000 0.692 86 A CB -0.653 18.390 19.000 0.071 0.000 0.799 86 A HN 0.526 nan 8.150 nan 0.000 0.458 87 G N -1.233 107.605 108.800 0.063 0.000 2.160 87 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 87 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 87 G C -0.073 174.876 174.900 0.082 0.000 1.022 87 G CA 0.308 45.444 45.100 0.060 0.000 0.741 87 G HN 0.462 nan 8.290 nan 0.000 0.508 88 L N 1.576 122.862 121.223 0.106 0.000 2.292 88 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 88 L C 1.074 178.095 176.870 0.252 0.000 1.065 88 L CA -0.234 54.713 54.840 0.178 0.000 0.806 88 L CB 1.613 43.788 42.059 0.193 0.000 1.175 88 L HN 0.401 nan 8.230 nan 0.000 0.431 89 S N 1.965 117.803 115.700 0.231 0.000 2.617 89 S HA 0.466 4.936 4.470 -0.000 0.000 0.283 89 S C -2.064 172.620 174.600 0.141 0.000 1.189 89 S CA -1.427 56.883 58.200 0.182 0.000 1.036 89 S CB 1.755 65.007 63.200 0.087 0.000 1.014 89 S HN 0.340 nan 8.310 nan 0.000 0.522 90 P HA -0.132 nan 4.420 nan 0.000 0.216 90 P C 0.911 178.010 177.300 -0.335 0.000 1.153 90 P CA 1.350 64.213 63.100 -0.396 0.000 0.858 90 P CB -0.029 31.556 31.700 -0.191 0.000 0.789 91 E N -0.720 119.399 120.200 -0.135 0.000 2.209 91 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 91 E C 2.018 178.579 176.600 -0.066 0.000 0.993 91 E CA 1.488 57.833 56.400 -0.091 0.000 0.819 91 E CB -0.777 28.900 29.700 -0.038 0.000 0.745 91 E HN 0.235 nan 8.360 nan 0.000 0.477 92 A N 0.112 122.920 122.820 -0.019 0.000 1.903 92 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 92 A C 1.946 179.594 177.584 0.106 0.000 1.185 92 A CA 1.184 53.263 52.037 0.069 0.000 0.628 92 A CB -0.455 18.631 19.000 0.143 0.000 0.830 92 A HN 0.490 nan 8.150 nan 0.000 0.446 93 Y N -0.954 119.388 120.300 0.070 0.000 2.507 93 Y HA 0.424 4.974 4.550 -0.000 0.000 0.263 93 Y C 0.814 176.746 175.900 0.053 0.000 1.093 93 Y CA -0.483 57.670 58.100 0.088 0.000 1.285 93 Y CB -0.283 38.295 38.460 0.197 0.000 1.115 93 Y HN 0.200 nan 8.280 nan 0.000 0.533 94 Q N 2.150 121.611 119.800 -0.565 0.000 2.340 94 Q HA 0.153 4.493 4.340 -0.000 0.000 0.249 94 Q C -0.216 175.597 176.000 -0.312 0.000 0.957 94 Q CA -0.058 55.504 55.803 -0.402 0.000 0.882 94 Q CB 0.387 28.839 28.738 -0.477 0.000 1.235 94 Q HN 0.508 nan 8.270 nan 0.000 0.439 95 N N 1.528 119.934 118.700 -0.490 0.000 2.721 95 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 95 N C -0.889 174.396 175.510 -0.376 0.000 1.072 95 N CA 0.053 52.567 53.050 -0.892 0.000 0.710 95 N CB -0.595 37.618 38.487 -0.456 0.000 0.993 95 N HN 0.488 nan 8.380 nan 0.000 0.547 96 N N 0.268 118.859 118.700 -0.183 0.000 2.479 96 N HA 0.274 5.014 4.740 -0.000 0.000 0.261 96 N C -2.021 173.538 175.510 0.082 0.000 0.979 96 N CA -2.112 50.936 53.050 -0.002 0.000 0.930 96 N CB 1.590 40.086 38.487 0.016 0.000 1.172 96 N HN -0.168 nan 8.380 nan 0.000 0.499 97 P HA -0.029 nan 4.420 nan 0.000 0.221 97 P C 0.358 177.690 177.300 0.054 0.000 1.145 97 P CA 1.107 64.272 63.100 0.108 0.000 0.795 97 P CB 0.307 32.057 31.700 0.083 0.000 0.775 98 R N -0.960 119.556 120.500 0.028 0.000 2.426 98 R HA 0.220 4.560 4.340 -0.000 0.000 0.263 98 R C -0.450 175.817 176.300 -0.056 0.000 0.961 98 R CA -0.018 56.071 56.100 -0.019 0.000 1.086 98 R CB 0.429 30.710 30.300 -0.031 0.000 1.186 98 R HN 0.055 nan 8.270 nan 0.000 0.537 99 V N 0.489 120.398 119.914 -0.009 0.000 2.443 99 V HA 0.508 4.628 4.120 -0.000 0.000 0.293 99 V C 0.395 176.509 176.094 0.033 0.000 1.021 99 V CA -0.781 61.510 62.300 -0.015 0.000 0.848 99 V CB 1.560 33.434 31.823 0.086 0.000 0.998 99 V HN 0.317 nan 8.190 nan 0.000 0.424 100 G N 3.839 112.622 108.800 -0.029 0.000 3.016 100 G HA2 0.801 4.761 3.960 -0.000 0.000 0.270 100 G HA3 0.801 4.761 3.960 -0.000 0.000 0.270 100 G C -1.468 173.452 174.900 0.034 0.000 1.352 100 G CA -0.645 44.446 45.100 -0.014 0.000 1.060 100 G HN 0.544 nan 8.290 nan 0.000 0.538 101 L N 0.196 121.400 121.223 -0.031 0.000 2.516 101 L HA 0.593 4.933 4.340 -0.000 0.000 0.267 101 L C -1.609 175.182 176.870 -0.132 0.000 0.957 101 L CA -0.497 54.344 54.840 0.001 0.000 0.860 101 L CB 1.379 43.469 42.059 0.051 0.000 1.265 101 L HN 0.507 nan 8.230 nan 0.000 0.403 102 I N 5.154 125.663 120.570 -0.102 0.000 2.493 102 I HA 0.646 4.816 4.170 -0.000 0.000 0.279 102 I C -0.301 175.809 176.117 -0.011 0.000 1.045 102 I CA -0.223 61.011 61.300 -0.111 0.000 1.106 102 I CB 1.736 39.668 38.000 -0.114 0.000 1.216 102 I HN 0.730 nan 8.210 nan 0.000 0.459 103 A N 4.159 126.993 122.820 0.023 0.000 2.549 103 A HA 0.983 5.303 4.320 -0.000 0.000 0.297 103 A C -0.637 176.987 177.584 0.066 0.000 1.061 103 A CA -0.462 51.598 52.037 0.038 0.000 0.690 103 A CB 1.951 20.966 19.000 0.024 0.000 1.287 103 A HN 0.717 nan 8.150 nan 0.000 0.402 104 G N -0.379 108.460 108.800 0.066 0.000 2.721 104 G HA2 0.793 4.753 3.960 -0.000 0.000 0.296 104 G HA3 0.793 4.753 3.960 -0.000 0.000 0.296 104 G C -0.552 174.387 174.900 0.065 0.000 1.383 104 G CA 0.228 45.373 45.100 0.075 0.000 0.788 104 G HN 1.854 nan 8.290 nan 0.000 0.500 105 S N -1.818 113.923 115.700 0.068 0.000 2.634 105 S HA 0.684 5.154 4.470 -0.000 0.000 0.296 105 S C 1.099 175.739 174.600 0.066 0.000 1.104 105 S CA 0.271 58.509 58.200 0.064 0.000 0.920 105 S CB 1.599 64.838 63.200 0.065 0.000 1.111 105 S HN 1.484 nan 8.310 nan 0.000 0.493 106 G N -0.052 108.784 108.800 0.060 0.000 2.408 106 G HA2 0.325 4.285 3.960 -0.000 0.000 0.215 106 G HA3 0.325 4.285 3.960 -0.000 0.000 0.215 106 G C 0.816 175.766 174.900 0.084 0.000 1.156 106 G CA 0.348 45.488 45.100 0.067 0.000 0.793 106 G HN 1.285 nan 8.290 nan 0.000 0.535 107 G N -1.100 107.752 108.800 0.085 0.000 4.110 107 G HA2 0.490 4.450 3.960 -0.000 0.000 0.292 107 G HA3 0.490 4.450 3.960 -0.000 0.000 0.292 107 G C 1.003 175.947 174.900 0.075 0.000 1.020 107 G CA 0.727 45.879 45.100 0.086 0.000 0.808 107 G HN 1.007 nan 8.290 nan 0.000 0.474 108 G N 0.676 109.519 108.800 0.071 0.000 2.646 108 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.324 108 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.324 108 G C 0.532 175.478 174.900 0.077 0.000 1.195 108 G CA 0.969 46.110 45.100 0.069 0.000 0.976 108 G HN 1.609 nan 8.290 nan 0.000 0.546 109 S N 1.182 116.936 115.700 0.090 0.000 2.381 109 S HA 0.629 5.099 4.470 -0.000 0.000 0.193 109 S C -1.568 173.091 174.600 0.099 0.000 1.287 109 S CA 0.121 58.392 58.200 0.119 0.000 1.199 109 S CB 1.769 65.092 63.200 0.205 0.000 1.214 109 S HN 0.253 nan 8.310 nan 0.000 0.444 110 P HA -0.055 nan 4.420 nan 0.000 0.220 110 P C 1.488 178.746 177.300 -0.070 0.000 1.148 110 P CA 0.541 63.631 63.100 -0.016 0.000 0.803 110 P CB 0.140 31.811 31.700 -0.047 0.000 0.782 111 R N -0.825 119.616 120.500 -0.098 0.000 2.073 111 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 111 R C 1.809 177.985 176.300 -0.207 0.000 1.134 111 R CA 1.675 57.640 56.100 -0.225 0.000 0.952 111 R CB -0.924 29.198 30.300 -0.297 0.000 0.850 111 R HN 0.093 nan 8.270 nan 0.000 0.433 112 F N 0.406 120.380 119.950 0.041 0.000 2.456 112 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 112 F C 2.509 178.409 175.800 0.167 0.000 1.104 112 F CA 0.751 58.833 58.000 0.136 0.000 1.435 112 F CB -0.103 38.945 39.000 0.079 0.000 1.078 112 F HN 0.163 nan 8.300 nan 0.000 0.546 113 Q N 0.549 120.475 119.800 0.210 0.000 2.079 113 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 113 Q C 2.120 178.166 176.000 0.076 0.000 0.974 113 Q CA 1.696 57.577 55.803 0.130 0.000 0.840 113 Q CB -0.544 28.240 28.738 0.077 0.000 0.898 113 Q HN 0.256 nan 8.270 nan 0.000 0.430 114 V N 0.583 120.517 119.914 0.033 0.000 2.379 114 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 114 V C 2.004 178.114 176.094 0.027 0.000 1.044 114 V CA 1.657 63.957 62.300 -0.001 0.000 1.036 114 V CB -0.801 30.978 31.823 -0.073 0.000 0.664 114 V HN 0.465 nan 8.190 nan 0.000 0.453 115 F N 2.284 122.199 119.950 -0.059 0.000 2.126 115 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 115 F C 2.099 177.916 175.800 0.028 0.000 1.096 115 F CA 1.747 59.725 58.000 -0.037 0.000 1.255 115 F CB -0.875 38.063 39.000 -0.103 0.000 0.997 115 F HN 0.120 nan 8.300 nan 0.000 0.479 116 G N -0.101 108.611 108.800 -0.146 0.000 2.421 116 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 116 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 116 G C 1.834 176.605 174.900 -0.215 0.000 1.171 116 G CA 0.935 45.902 45.100 -0.221 0.000 0.775 116 G HN 0.644 nan 8.290 nan 0.000 0.543 117 A N 1.013 123.767 122.820 -0.110 0.000 1.902 117 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 117 A C 2.102 179.622 177.584 -0.106 0.000 1.181 117 A CA 2.125 54.114 52.037 -0.080 0.000 0.623 117 A CB -0.464 18.517 19.000 -0.032 0.000 0.818 117 A HN 0.272 nan 8.150 nan 0.000 0.443 118 D N 0.034 120.360 120.400 -0.123 0.000 2.144 118 D HA -0.043 4.597 4.640 -0.000 0.000 0.199 118 D C 2.179 178.381 176.300 -0.163 0.000 0.984 118 D CA 1.485 55.423 54.000 -0.103 0.000 0.834 118 D CB -0.328 40.439 40.800 -0.055 0.000 0.955 118 D HN 0.433 nan 8.370 nan 0.000 0.465 119 A N 0.428 123.053 122.820 -0.325 0.000 1.872 119 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 119 A C 2.120 179.596 177.584 -0.181 0.000 1.187 119 A CA 1.441 53.283 52.037 -0.324 0.000 0.614 119 A CB -0.528 18.098 19.000 -0.624 0.000 0.826 119 A HN 0.136 nan 8.150 nan 0.000 0.442 120 M N 0.194 119.694 119.600 -0.167 0.000 2.144 120 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 120 M C 1.868 178.130 176.300 -0.065 0.000 1.067 120 M CA 1.569 56.812 55.300 -0.095 0.000 1.095 120 M CB -0.535 32.019 32.600 -0.076 0.000 1.365 120 M HN 0.372 nan 8.290 nan 0.000 0.406 121 R N -0.084 120.378 120.500 -0.063 0.000 2.316 121 R HA 0.131 4.471 4.340 -0.000 0.000 0.202 121 R C 1.158 177.439 176.300 -0.032 0.000 1.029 121 R CA 0.361 56.438 56.100 -0.039 0.000 1.018 121 R CB -0.579 29.703 30.300 -0.030 0.000 0.888 121 R HN 0.498 nan 8.270 nan 0.000 0.471 122 G N 0.953 109.728 108.800 -0.042 0.000 2.563 122 G HA2 0.137 4.097 3.960 -0.000 0.000 0.283 122 G HA3 0.137 4.097 3.960 -0.000 0.000 0.283 122 G C -1.713 173.174 174.900 -0.021 0.000 1.309 122 G CA -0.992 44.092 45.100 -0.028 0.000 1.022 122 G HN -0.097 nan 8.290 nan 0.000 0.501 123 P HA 0.045 nan 4.420 nan 0.000 0.221 123 P C 1.597 178.892 177.300 -0.009 0.000 1.150 123 P CA 0.775 63.870 63.100 -0.008 0.000 0.800 123 P CB 0.235 31.933 31.700 -0.003 0.000 0.787 124 R N -1.201 119.292 120.500 -0.011 0.000 2.317 124 R HA 0.233 4.573 4.340 -0.000 0.000 0.208 124 R C 1.616 177.906 176.300 -0.017 0.000 0.914 124 R CA 0.429 56.523 56.100 -0.009 0.000 1.060 124 R CB -0.489 29.811 30.300 -0.001 0.000 1.015 124 R HN 0.117 nan 8.270 nan 0.000 0.498 125 G N 1.995 110.779 108.800 -0.026 0.000 2.698 125 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.346 125 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.346 125 G C 0.924 175.802 174.900 -0.036 0.000 1.287 125 G CA 0.766 45.846 45.100 -0.033 0.000 0.990 125 G HN 0.243 nan 8.290 nan 0.000 0.545 126 L N 0.362 121.569 121.223 -0.026 0.000 2.081 126 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 126 L C 3.058 179.919 176.870 -0.016 0.000 1.080 126 L CA 2.261 57.088 54.840 -0.023 0.000 0.754 126 L CB -0.536 41.513 42.059 -0.018 0.000 0.893 126 L HN 0.516 nan 8.230 nan 0.000 0.433 127 K N -0.008 120.385 120.400 -0.011 0.000 2.097 127 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 127 K C 2.189 178.799 176.600 0.016 0.000 1.049 127 K CA 1.430 57.718 56.287 0.001 0.000 0.933 127 K CB -0.223 32.279 32.500 0.002 0.000 0.717 127 K HN 0.313 nan 8.250 nan 0.000 0.442 128 A N 0.803 123.625 122.820 0.004 0.000 2.014 128 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 128 A C 2.260 179.858 177.584 0.023 0.000 1.163 128 A CA 0.850 52.898 52.037 0.018 0.000 0.652 128 A CB -0.262 18.722 19.000 -0.027 0.000 0.808 128 A HN 0.051 nan 8.150 nan 0.000 0.449 129 V N -0.548 119.350 119.914 -0.026 0.000 2.358 129 V HA 0.208 4.328 4.120 -0.000 0.000 0.246 129 V C 1.621 177.808 176.094 0.155 0.000 1.047 129 V CA 1.069 63.361 62.300 -0.013 0.000 1.035 129 V CB -1.891 29.910 31.823 -0.037 0.000 0.658 129 V HN 1.179 nan 8.190 nan 0.000 0.452 130 G N 0.815 109.663 108.800 0.080 0.000 2.795 130 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.664 130 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.664 130 G C -1.808 173.061 174.900 -0.052 0.000 1.381 130 G CA -0.073 45.051 45.100 0.040 0.000 0.853 130 G HN 0.324 nan 8.290 nan 0.000 0.545 131 P HA 0.311 nan 4.420 nan 0.000 0.263 131 P C -0.137 176.923 177.300 -0.400 0.000 1.448 131 P CA 0.374 63.272 63.100 -0.336 0.000 0.983 131 P CB 0.033 31.479 31.700 -0.423 0.000 1.481 132 Y N -1.526 118.783 120.300 0.015 0.000 2.557 132 Y HA 0.133 4.683 4.550 -0.000 0.000 0.247 132 Y C 2.109 178.009 175.900 -0.000 0.000 1.164 132 Y CA -0.219 57.865 58.100 -0.027 0.000 1.218 132 Y CB -0.128 38.209 38.460 -0.205 0.000 1.210 132 Y HN -0.276 nan 8.280 nan 0.000 0.529 133 V N -1.199 118.822 119.914 0.178 0.000 2.453 133 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 133 V C 2.089 178.261 176.094 0.131 0.000 1.048 133 V CA 1.611 64.021 62.300 0.184 0.000 1.049 133 V CB -0.682 31.291 31.823 0.251 0.000 0.672 133 V HN 0.225 nan 8.190 nan 0.000 0.457 134 V N 1.268 121.252 119.914 0.117 0.000 2.287 134 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 134 V C 2.801 178.948 176.094 0.087 0.000 1.053 134 V CA 2.677 65.033 62.300 0.094 0.000 1.027 134 V CB -1.433 30.437 31.823 0.079 0.000 0.646 134 V HN 0.812 nan 8.190 nan 0.000 0.447 135 T N -2.167 112.457 114.554 0.115 0.000 2.995 135 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 135 T C 1.718 176.440 174.700 0.036 0.000 1.091 135 T CA 1.124 63.278 62.100 0.091 0.000 1.128 135 T CB -0.229 68.735 68.868 0.159 0.000 0.891 135 T HN 0.483 nan 8.240 nan 0.000 0.492 136 K N 0.983 121.375 120.400 -0.013 0.000 2.137 136 K HA 0.331 4.651 4.320 -0.000 0.000 0.202 136 K C 2.621 179.220 176.600 -0.002 0.000 1.052 136 K CA 0.945 57.150 56.287 -0.137 0.000 0.961 136 K CB -0.134 32.078 32.500 -0.480 0.000 0.741 136 K HN 0.424 nan 8.250 nan 0.000 0.452 137 A N 1.885 124.746 122.820 0.069 0.000 2.030 137 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 137 A C 1.247 178.877 177.584 0.078 0.000 1.164 137 A CA -0.084 52.017 52.037 0.108 0.000 0.697 137 A CB -0.379 18.703 19.000 0.137 0.000 0.827 137 A HN 0.307 nan 8.150 nan 0.000 0.457 138 M N -1.447 118.191 119.600 0.063 0.000 2.252 138 M HA 0.423 4.903 4.480 -0.000 0.000 0.329 138 M C 0.941 177.273 176.300 0.054 0.000 1.101 138 M CA 0.491 55.823 55.300 0.054 0.000 1.117 138 M CB 0.418 33.046 32.600 0.048 0.000 1.563 138 M HN 0.066 nan 8.290 nan 0.000 0.445 139 A N 2.042 124.894 122.820 0.053 0.000 2.019 139 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 139 A C 2.070 179.690 177.584 0.060 0.000 1.164 139 A CA 1.800 53.871 52.037 0.057 0.000 0.644 139 A CB -0.897 18.136 19.000 0.054 0.000 0.805 139 A HN 1.016 nan 8.150 nan 0.000 0.449 140 S N -0.830 114.905 115.700 0.059 0.000 2.631 140 S HA 0.262 4.732 4.470 -0.000 0.000 0.217 140 S C 1.694 176.328 174.600 0.058 0.000 0.958 140 S CA 0.629 58.869 58.200 0.067 0.000 0.920 140 S CB -0.442 62.799 63.200 0.069 0.000 0.776 140 S HN 0.579 nan 8.310 nan 0.000 0.517 141 G N 2.300 111.129 108.800 0.049 0.000 2.513 141 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 141 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 141 G C 1.328 176.255 174.900 0.044 0.000 1.160 141 G CA 1.293 46.415 45.100 0.038 0.000 0.767 141 G HN 0.487 nan 8.290 nan 0.000 0.571 142 V N 1.668 121.615 119.914 0.054 0.000 2.392 142 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 142 V C 3.240 179.378 176.094 0.074 0.000 1.059 142 V CA 2.541 64.880 62.300 0.065 0.000 1.051 142 V CB -0.414 31.448 31.823 0.066 0.000 0.658 142 V HN 0.657 nan 8.190 nan 0.000 0.455 143 S N 0.375 116.116 115.700 0.069 0.000 2.388 143 S HA 0.045 4.515 4.470 -0.000 0.000 0.223 143 S C 2.127 176.765 174.600 0.064 0.000 1.034 143 S CA 0.881 59.120 58.200 0.064 0.000 0.963 143 S CB -0.325 62.913 63.200 0.064 0.000 0.827 143 S HN 0.515 nan 8.310 nan 0.000 0.481 144 A N 1.043 123.895 122.820 0.053 0.000 1.902 144 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 144 A C 2.371 179.969 177.584 0.024 0.000 1.181 144 A CA 1.588 53.643 52.037 0.030 0.000 0.623 144 A CB -1.520 17.488 19.000 0.012 0.000 0.818 144 A HN 0.692 nan 8.150 nan 0.000 0.443 145 C N -1.266 118.059 119.300 0.040 0.000 2.456 145 C HA 0.121 4.581 4.460 -0.000 0.000 0.279 145 C C 2.305 177.377 174.990 0.136 0.000 1.427 145 C CA 0.737 59.784 59.018 0.048 0.000 1.778 145 C CB -1.251 26.513 27.740 0.040 0.000 1.842 145 C HN 0.532 nan 8.230 nan 0.000 0.531 146 L N 0.395 121.729 121.223 0.185 0.000 2.362 146 L HA 0.256 4.596 4.340 -0.000 0.000 0.204 146 L C 2.627 179.676 176.870 0.298 0.000 1.060 146 L CA 1.520 56.557 54.840 0.329 0.000 0.827 146 L CB -1.132 41.086 42.059 0.265 0.000 1.027 146 L HN 0.152 nan 8.230 nan 0.000 0.474 147 A N -0.938 121.982 122.820 0.167 0.000 1.972 147 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 147 A C 2.274 179.940 177.584 0.137 0.000 1.169 147 A CA 2.327 54.450 52.037 0.145 0.000 0.635 147 A CB -0.859 18.194 19.000 0.087 0.000 0.810 147 A HN 0.414 nan 8.150 nan 0.000 0.446 148 T N 0.317 114.923 114.554 0.087 0.000 2.698 148 T HA -0.042 4.308 4.350 -0.000 0.000 0.260 148 T C -0.063 174.658 174.700 0.035 0.000 1.044 148 T CA 1.457 63.580 62.100 0.039 0.000 1.149 148 T CB -1.011 67.834 68.868 -0.038 0.000 0.864 148 T HN 0.496 nan 8.240 nan 0.000 0.419 149 P HA -0.000 nan 4.420 nan 0.000 0.219 149 P C 0.849 178.068 177.300 -0.135 0.000 1.150 149 P CA 1.078 64.129 63.100 -0.081 0.000 0.814 149 P CB -0.262 31.375 31.700 -0.104 0.000 0.787 150 F N 0.255 120.258 119.950 0.088 0.000 2.811 150 F HA 0.178 4.705 4.527 -0.000 0.000 0.301 150 F C 0.924 176.781 175.800 0.096 0.000 1.151 150 F CA 0.040 58.090 58.000 0.083 0.000 1.412 150 F CB -0.446 38.534 39.000 -0.033 0.000 1.113 150 F HN -0.208 nan 8.300 nan 0.000 0.579 151 K N 0.959 121.462 120.400 0.172 0.000 3.150 151 K HA -0.183 4.137 4.320 -0.000 0.000 0.267 151 K C -0.632 176.023 176.600 0.090 0.000 1.028 151 K CA -0.069 56.270 56.287 0.088 0.000 0.753 151 K CB -1.572 30.912 32.500 -0.027 0.000 1.288 151 K HN 0.109 nan 8.250 nan 0.000 0.473 152 I N 0.997 121.681 120.570 0.189 0.000 2.496 152 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 152 I C 1.709 177.994 176.117 0.280 0.000 1.080 152 I CA 0.429 61.850 61.300 0.202 0.000 1.404 152 I CB 0.748 38.863 38.000 0.192 0.000 1.403 152 I HN 0.296 nan 8.210 nan 0.000 0.539 153 H N 3.193 122.305 119.070 0.070 0.000 2.874 153 H HA 0.177 4.733 4.556 -0.000 0.000 0.264 153 H C 1.362 176.705 175.328 0.025 0.000 1.007 153 H CA -0.003 56.068 56.048 0.039 0.000 1.207 153 H CB 1.357 31.138 29.762 0.032 0.000 1.487 153 H HN 0.771 nan 8.280 nan 0.000 0.505 154 G N 0.743 109.627 108.800 0.141 0.000 2.735 154 G HA2 0.130 4.090 3.960 -0.000 0.000 0.192 154 G HA3 0.130 4.090 3.960 -0.000 0.000 0.192 154 G C -0.198 174.709 174.900 0.012 0.000 1.547 154 G CA -0.363 44.772 45.100 0.058 0.000 1.080 154 G HN 0.084 nan 8.290 nan 0.000 0.569 155 V N 1.007 120.894 119.914 -0.046 0.000 2.763 155 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 155 V C -0.342 175.624 176.094 -0.214 0.000 1.059 155 V CA 0.331 62.547 62.300 -0.141 0.000 1.138 155 V CB 1.057 32.741 31.823 -0.232 0.000 0.940 155 V HN 0.830 nan 8.190 nan 0.000 0.489 156 N N 5.567 124.112 118.700 -0.257 0.000 2.629 156 N HA 0.466 5.206 4.740 -0.000 0.000 0.277 156 N C -1.258 174.202 175.510 -0.082 0.000 1.188 156 N CA -0.425 52.518 53.050 -0.179 0.000 0.835 156 N CB 0.994 39.468 38.487 -0.021 0.000 1.420 156 N HN 0.738 nan 8.380 nan 0.000 0.542 157 Y N -1.237 119.084 120.300 0.036 0.000 2.774 157 Y HA 0.632 5.182 4.550 -0.000 0.000 0.346 157 Y C -1.427 174.492 175.900 0.031 0.000 1.222 157 Y CA -1.266 56.851 58.100 0.029 0.000 1.088 157 Y CB 0.456 38.930 38.460 0.022 0.000 1.354 157 Y HN 0.114 nan 8.280 nan 0.000 0.455 158 S N 2.313 118.219 115.700 0.343 0.000 2.472 158 S HA 0.631 5.101 4.470 -0.000 0.000 0.303 158 S C -0.862 173.865 174.600 0.210 0.000 1.099 158 S CA -0.714 57.623 58.200 0.228 0.000 1.077 158 S CB 1.075 64.355 63.200 0.134 0.000 1.031 158 S HN 0.434 nan 8.310 nan 0.000 0.487 159 I N 2.410 123.093 120.570 0.188 0.000 2.385 159 I HA 0.483 4.653 4.170 -0.000 0.000 0.294 159 I C 0.389 176.577 176.117 0.118 0.000 0.988 159 I CA -0.211 61.170 61.300 0.136 0.000 1.265 159 I CB 1.394 39.488 38.000 0.156 0.000 1.388 159 I HN 0.521 nan 8.210 nan 0.000 0.480 160 S N 3.569 119.327 115.700 0.098 0.000 2.614 160 S HA 0.630 5.100 4.470 -0.000 0.000 0.288 160 S C -0.391 174.282 174.600 0.120 0.000 1.137 160 S CA -0.401 57.861 58.200 0.103 0.000 0.992 160 S CB 0.978 64.227 63.200 0.081 0.000 1.026 160 S HN 0.695 nan 8.310 nan 0.000 0.486 161 S N 2.828 118.620 115.700 0.153 0.000 2.607 161 S HA 0.626 5.096 4.470 -0.000 0.000 0.196 161 S C 0.560 175.250 174.600 0.149 0.000 0.911 161 S CA 0.032 58.343 58.200 0.185 0.000 1.133 161 S CB -0.119 63.291 63.200 0.350 0.000 1.612 161 S HN 1.932 nan 8.310 nan 0.000 0.437 162 A N 0.667 123.555 122.820 0.112 0.000 5.308 162 A HA -0.329 3.991 4.320 -0.000 0.000 0.321 162 A C 1.584 179.185 177.584 0.027 0.000 1.849 162 A CA 1.221 53.300 52.037 0.071 0.000 0.713 162 A CB -2.074 16.977 19.000 0.084 0.000 1.360 162 A HN 1.445 nan 8.150 nan 0.000 0.384 163 C N 0.447 119.744 119.300 -0.004 0.000 2.546 163 C HA 0.457 4.917 4.460 -0.000 0.000 0.275 163 C C 2.475 177.474 174.990 0.015 0.000 1.393 163 C CA 0.910 59.949 59.018 0.035 0.000 1.703 163 C CB -1.790 26.036 27.740 0.144 0.000 1.710 163 C HN 1.251 nan 8.230 nan 0.000 0.581 164 A N -0.575 122.241 122.820 -0.007 0.000 2.382 164 A HA 0.145 4.465 4.320 -0.000 0.000 0.228 164 A C 1.866 179.405 177.584 -0.077 0.000 1.217 164 A CA 0.702 52.668 52.037 -0.118 0.000 0.923 164 A CB -0.528 18.362 19.000 -0.183 0.000 0.979 164 A HN 0.392 nan 8.150 nan 0.000 0.515 165 T N 1.663 116.246 114.554 0.048 0.000 2.481 165 T HA -0.304 4.046 4.350 -0.000 0.000 0.252 165 T C 2.273 177.011 174.700 0.063 0.000 1.242 165 T CA 3.034 65.190 62.100 0.093 0.000 1.170 165 T CB -0.631 68.280 68.868 0.071 0.000 0.860 165 T HN 0.827 nan 8.240 nan 0.000 0.422 166 S N 1.714 117.421 115.700 0.011 0.000 2.442 166 S HA 0.082 4.552 4.470 -0.000 0.000 0.236 166 S C 2.305 176.880 174.600 -0.041 0.000 1.007 166 S CA 0.978 59.171 58.200 -0.011 0.000 0.965 166 S CB -0.549 62.630 63.200 -0.035 0.000 0.773 166 S HN 0.604 nan 8.310 nan 0.000 0.504 167 A N 1.892 124.667 122.820 -0.075 0.000 1.873 167 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 167 A C 1.964 179.517 177.584 -0.051 0.000 1.186 167 A CA 1.442 53.416 52.037 -0.104 0.000 0.616 167 A CB -1.168 17.731 19.000 -0.168 0.000 0.823 167 A HN 0.701 nan 8.150 nan 0.000 0.442 168 H N -1.637 117.459 119.070 0.044 0.000 2.421 168 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 168 H C 2.205 177.516 175.328 -0.029 0.000 1.087 168 H CA 1.124 57.219 56.048 0.079 0.000 1.330 168 H CB -0.136 29.700 29.762 0.123 0.000 1.388 168 H HN 0.548 nan 8.280 nan 0.000 0.526 169 C N 0.223 119.580 119.300 0.094 0.000 2.429 169 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 169 C C 2.691 177.642 174.990 -0.064 0.000 1.262 169 C CA 0.692 59.732 59.018 0.037 0.000 1.733 169 C CB -0.763 26.997 27.740 0.033 0.000 2.010 169 C HN 0.531 nan 8.230 nan 0.000 0.483 170 I N 1.017 121.518 120.570 -0.115 0.000 2.226 170 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 170 I C 2.698 178.621 176.117 -0.324 0.000 1.100 170 I CA 1.790 62.983 61.300 -0.178 0.000 1.374 170 I CB -0.881 37.024 38.000 -0.158 0.000 1.057 170 I HN 0.455 nan 8.210 nan 0.000 0.413 171 G N 0.480 108.923 108.800 -0.594 0.000 2.402 171 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 171 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 171 G C 1.489 175.964 174.900 -0.709 0.000 1.162 171 G CA 0.560 44.826 45.100 -1.390 0.000 0.777 171 G HN 0.324 nan 8.290 nan 0.000 0.539 172 N N 1.086 119.600 118.700 -0.309 0.000 2.166 172 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 172 N C 2.549 178.026 175.510 -0.056 0.000 1.019 172 N CA 1.201 54.221 53.050 -0.050 0.000 0.856 172 N CB -0.127 38.409 38.487 0.082 0.000 0.993 172 N HN 0.255 nan 8.380 nan 0.000 0.426 173 A N 0.639 123.394 122.820 -0.109 0.000 1.902 173 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 173 A C 2.467 179.985 177.584 -0.109 0.000 1.181 173 A CA 1.153 53.124 52.037 -0.109 0.000 0.623 173 A CB -0.705 18.217 19.000 -0.131 0.000 0.818 173 A HN 0.164 nan 8.150 nan 0.000 0.443 174 V N 0.135 119.967 119.914 -0.137 0.000 2.407 174 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 174 V C 2.330 178.401 176.094 -0.038 0.000 1.055 174 V CA 2.201 64.445 62.300 -0.094 0.000 1.049 174 V CB -0.796 30.963 31.823 -0.107 0.000 0.662 174 V HN 0.637 nan 8.190 nan 0.000 0.455 175 E N -0.566 119.622 120.200 -0.020 0.000 2.150 175 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 175 E C 2.362 178.972 176.600 0.016 0.000 0.985 175 E CA 0.834 57.254 56.400 0.033 0.000 0.814 175 E CB -0.081 29.666 29.700 0.077 0.000 0.752 175 E HN 0.557 nan 8.360 nan 0.000 0.466 176 Q N 0.128 119.924 119.800 -0.005 0.000 2.119 176 Q HA -0.122 4.218 4.340 -0.000 0.000 0.201 176 Q C 2.193 178.176 176.000 -0.028 0.000 0.972 176 Q CA 0.934 56.730 55.803 -0.012 0.000 0.847 176 Q CB -0.101 28.617 28.738 -0.034 0.000 0.903 176 Q HN 0.295 nan 8.270 nan 0.000 0.433 177 I N 1.054 121.598 120.570 -0.043 0.000 2.286 177 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 177 I C 2.367 178.471 176.117 -0.020 0.000 1.104 177 I CA 1.214 62.486 61.300 -0.046 0.000 1.397 177 I CB -0.337 37.627 38.000 -0.060 0.000 1.072 177 I HN 0.179 nan 8.210 nan 0.000 0.417 178 Q N -0.090 119.706 119.800 -0.006 0.000 2.084 178 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 178 Q C 2.184 178.189 176.000 0.009 0.000 0.978 178 Q CA 1.233 57.041 55.803 0.008 0.000 0.844 178 Q CB -0.264 28.488 28.738 0.023 0.000 0.898 178 Q HN 0.470 nan 8.270 nan 0.000 0.426 179 L N -0.299 120.930 121.223 0.010 0.000 2.551 179 L HA 0.021 4.361 4.340 -0.000 0.000 0.228 179 L C 1.211 178.084 176.870 0.005 0.000 1.153 179 L CA 0.520 55.367 54.840 0.011 0.000 0.851 179 L CB -0.465 41.604 42.059 0.017 0.000 0.959 179 L HN 0.471 nan 8.230 nan 0.000 0.451 180 G N 0.310 109.109 108.800 -0.002 0.000 2.153 180 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.252 180 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.252 180 G C 0.979 175.874 174.900 -0.008 0.000 0.994 180 G CA 0.700 45.797 45.100 -0.006 0.000 0.698 180 G HN 0.409 nan 8.290 nan 0.000 0.521 181 K N -0.962 119.432 120.400 -0.009 0.000 2.243 181 K HA 0.104 4.424 4.320 -0.000 0.000 0.201 181 K C 0.950 177.535 176.600 -0.025 0.000 1.051 181 K CA 0.765 57.047 56.287 -0.008 0.000 0.970 181 K CB 0.083 32.585 32.500 0.004 0.000 0.755 181 K HN 0.406 nan 8.250 nan 0.000 0.465 182 Q N -0.047 119.725 119.800 -0.048 0.000 2.397 182 Q HA 0.141 4.481 4.340 -0.000 0.000 0.275 182 Q C -0.499 175.424 176.000 -0.128 0.000 1.090 182 Q CA -0.316 55.438 55.803 -0.083 0.000 0.809 182 Q CB 2.034 30.715 28.738 -0.095 0.000 1.362 182 Q HN -0.026 nan 8.270 nan 0.000 0.431 183 D N 0.503 120.786 120.400 -0.194 0.000 2.277 183 D HA 0.245 4.885 4.640 -0.000 0.000 0.209 183 D C 0.275 176.340 176.300 -0.392 0.000 0.970 183 D CA 0.878 54.679 54.000 -0.332 0.000 0.874 183 D CB 1.180 41.646 40.800 -0.556 0.000 0.982 183 D HN 0.380 nan 8.370 nan 0.000 0.504 184 I N 0.421 120.784 120.570 -0.344 0.000 2.656 184 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 184 I C -1.288 174.603 176.117 -0.376 0.000 1.144 184 I CA -0.760 60.305 61.300 -0.391 0.000 1.038 184 I CB 3.392 41.112 38.000 -0.468 0.000 1.244 184 I HN -0.422 nan 8.210 nan 0.000 0.420 185 V N 5.637 125.301 119.914 -0.418 0.000 2.612 185 V HA 0.372 4.492 4.120 -0.000 0.000 0.301 185 V C -0.798 175.065 176.094 -0.386 0.000 1.059 185 V CA -0.581 61.520 62.300 -0.332 0.000 0.886 185 V CB 1.825 33.529 31.823 -0.198 0.000 1.007 185 V HN 0.395 nan 8.190 nan 0.000 0.426 186 F N 3.608 123.458 119.950 -0.167 0.000 2.444 186 F HA 0.654 5.181 4.527 -0.000 0.000 0.360 186 F C 0.796 176.501 175.800 -0.159 0.000 1.106 186 F CA 0.043 57.928 58.000 -0.192 0.000 1.170 186 F CB 1.015 39.861 39.000 -0.257 0.000 1.113 186 F HN 0.578 nan 8.300 nan 0.000 0.521 187 A N 2.813 125.629 122.820 -0.006 0.000 2.365 187 A HA 0.952 5.272 4.320 -0.000 0.000 0.318 187 A C 0.054 177.617 177.584 -0.036 0.000 1.091 187 A CA 0.073 52.089 52.037 -0.036 0.000 0.763 187 A CB 1.391 20.343 19.000 -0.080 0.000 1.248 187 A HN 0.987 nan 8.150 nan 0.000 0.442 188 G N -0.452 108.331 108.800 -0.029 0.000 2.399 188 G HA2 0.702 4.662 3.960 -0.000 0.000 0.256 188 G HA3 0.702 4.662 3.960 -0.000 0.000 0.256 188 G C -0.244 174.650 174.900 -0.010 0.000 1.236 188 G CA 0.375 45.453 45.100 -0.036 0.000 0.914 188 G HN 2.243 nan 8.290 nan 0.000 0.482 189 G N -2.166 106.632 108.800 -0.004 0.000 2.430 189 G HA2 0.840 4.800 3.960 -0.000 0.000 0.300 189 G HA3 0.840 4.800 3.960 -0.000 0.000 0.300 189 G C -0.516 174.410 174.900 0.045 0.000 1.330 189 G CA 0.626 45.741 45.100 0.024 0.000 0.813 189 G HN 2.046 nan 8.290 nan 0.000 0.487 190 G N -1.381 107.460 108.800 0.069 0.000 2.684 190 G HA2 0.708 4.668 3.960 -0.000 0.000 0.290 190 G HA3 0.708 4.668 3.960 -0.000 0.000 0.290 190 G C -1.893 173.074 174.900 0.112 0.000 1.425 190 G CA -0.290 44.881 45.100 0.118 0.000 0.822 190 G HN 0.764 nan 8.290 nan 0.000 0.482 191 E N -0.429 119.875 120.200 0.172 0.000 2.388 191 E HA 0.324 4.674 4.350 -0.000 0.000 0.289 191 E C -0.421 176.295 176.600 0.194 0.000 0.944 191 E CA -0.638 55.838 56.400 0.127 0.000 0.792 191 E CB 1.401 31.140 29.700 0.067 0.000 1.239 191 E HN 0.719 nan 8.360 nan 0.000 0.412 192 E N 3.072 123.343 120.200 0.119 0.000 2.345 192 E HA 0.440 4.790 4.350 -0.000 0.000 0.259 192 E C -0.720 175.934 176.600 0.089 0.000 1.117 192 E CA -0.872 55.594 56.400 0.111 0.000 0.913 192 E CB 1.212 30.933 29.700 0.035 0.000 1.057 192 E HN 0.246 nan 8.360 nan 0.000 0.432 193 L N 2.422 123.675 121.223 0.050 0.000 2.319 193 L HA 0.452 4.792 4.340 -0.000 0.000 0.281 193 L C -1.261 175.623 176.870 0.023 0.000 1.005 193 L CA -0.393 54.428 54.840 -0.033 0.000 0.828 193 L CB 0.665 42.556 42.059 -0.281 0.000 1.227 193 L HN 0.928 nan 8.230 nan 0.000 0.415 194 C N 2.178 121.559 119.300 0.136 0.000 3.307 194 C HA 0.437 4.897 4.460 -0.000 0.000 0.333 194 C C 1.012 176.114 174.990 0.186 0.000 1.291 194 C CA -0.939 58.178 59.018 0.165 0.000 1.273 194 C CB 0.649 28.359 27.740 -0.050 0.000 1.580 194 C HN 1.033 nan 8.230 nan 0.000 0.481 195 W N 0.781 122.197 121.300 0.193 0.000 2.425 195 W HA 0.063 4.723 4.660 -0.000 0.000 0.277 195 W C 1.023 177.609 176.519 0.113 0.000 1.231 195 W CA 1.711 59.136 57.345 0.132 0.000 1.248 195 W CB -0.993 28.506 29.460 0.065 0.000 1.117 195 W HN 0.873 nan 8.180 nan 0.000 0.568 196 E N 0.841 120.443 120.200 -0.997 0.000 2.085 196 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 196 E C 2.352 178.792 176.600 -0.266 0.000 0.994 196 E CA 2.595 58.435 56.400 -0.933 0.000 0.801 196 E CB -0.618 28.581 29.700 -0.835 0.000 0.743 196 E HN 0.328 nan 8.360 nan 0.000 0.453 197 M N -0.768 118.776 119.600 -0.093 0.000 2.447 197 M HA 0.121 4.601 4.480 -0.000 0.000 0.266 197 M C 2.073 178.529 176.300 0.260 0.000 1.120 197 M CA 0.995 56.348 55.300 0.088 0.000 1.166 197 M CB 0.137 32.819 32.600 0.137 0.000 1.349 197 M HN 0.171 nan 8.290 nan 0.000 0.463 198 A N 0.660 123.644 122.820 0.273 0.000 1.917 198 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 198 A C 2.329 180.109 177.584 0.327 0.000 1.182 198 A CA 1.975 54.221 52.037 0.349 0.000 0.633 198 A CB -1.791 17.391 19.000 0.304 0.000 0.819 198 A HN 0.864 nan 8.150 nan 0.000 0.448 199 C N -0.540 118.923 119.300 0.273 0.000 2.411 199 C HA -0.098 4.362 4.460 -0.000 0.000 0.279 199 C C 2.196 177.282 174.990 0.160 0.000 1.288 199 C CA 1.073 60.228 59.018 0.229 0.000 1.764 199 C CB -1.653 26.256 27.740 0.282 0.000 1.974 199 C HN 0.663 nan 8.230 nan 0.000 0.498 200 E N 0.583 120.849 120.200 0.111 0.000 2.077 200 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 200 E C 1.812 178.370 176.600 -0.069 0.000 0.989 200 E CA 1.614 57.994 56.400 -0.034 0.000 0.800 200 E CB -0.344 29.251 29.700 -0.174 0.000 0.746 200 E HN 0.790 nan 8.360 nan 0.000 0.452 201 F N 1.122 121.144 119.950 0.119 0.000 2.163 201 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 201 F C 2.264 178.092 175.800 0.047 0.000 1.094 201 F CA 1.028 59.098 58.000 0.117 0.000 1.290 201 F CB -0.247 38.809 39.000 0.092 0.000 1.017 201 F HN -0.041 nan 8.300 nan 0.000 0.483 202 D N 0.456 120.985 120.400 0.215 0.000 2.123 202 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 202 D C 2.226 178.582 176.300 0.093 0.000 0.992 202 D CA 1.341 55.411 54.000 0.117 0.000 0.833 202 D CB -0.276 40.593 40.800 0.116 0.000 0.954 202 D HN 0.175 nan 8.370 nan 0.000 0.455 203 A N -0.185 122.690 122.820 0.091 0.000 2.070 203 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 203 A C 2.285 179.901 177.584 0.052 0.000 1.159 203 A CA 1.069 53.143 52.037 0.061 0.000 0.656 203 A CB -0.491 18.539 19.000 0.049 0.000 0.800 203 A HN 0.312 nan 8.150 nan 0.000 0.453 204 M N -1.764 117.880 119.600 0.072 0.000 2.541 204 M HA 0.138 4.618 4.480 -0.000 0.000 0.252 204 M C 1.385 177.737 176.300 0.087 0.000 1.125 204 M CA 0.814 56.160 55.300 0.077 0.000 1.091 204 M CB 0.224 32.903 32.600 0.131 0.000 1.420 204 M HN 0.619 nan 8.290 nan 0.000 0.486 205 G N 0.437 109.287 108.800 0.083 0.000 2.143 205 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 205 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 205 G C 0.740 175.683 174.900 0.072 0.000 0.991 205 G CA 0.366 45.504 45.100 0.064 0.000 0.689 205 G HN 0.564 nan 8.290 nan 0.000 0.522 206 A N -0.867 122.012 122.820 0.100 0.000 2.178 206 A HA 0.644 4.964 4.320 -0.000 0.000 0.211 206 A C 1.265 178.712 177.584 -0.228 0.000 1.157 206 A CA 0.677 52.766 52.037 0.087 0.000 0.780 206 A CB 0.121 19.334 19.000 0.354 0.000 0.828 206 A HN 0.628 nan 8.150 nan 0.000 0.476 207 L N -0.037 121.045 121.223 -0.234 0.000 2.360 207 L HA 0.336 4.676 4.340 -0.000 0.000 0.271 207 L C 0.753 177.551 176.870 -0.119 0.000 1.057 207 L CA -0.570 54.073 54.840 -0.329 0.000 0.803 207 L CB 1.556 43.478 42.059 -0.227 0.000 1.207 207 L HN 0.172 nan 8.230 nan 0.000 0.445 208 S N 0.082 115.737 115.700 -0.075 0.000 2.549 208 S HA 0.155 4.625 4.470 -0.000 0.000 0.283 208 S C 0.712 175.327 174.600 0.025 0.000 1.320 208 S CA 0.160 58.383 58.200 0.038 0.000 1.058 208 S CB 0.499 63.760 63.200 0.101 0.000 0.882 208 S HN 0.821 nan 8.310 nan 0.000 0.498 209 T N 1.301 115.867 114.554 0.019 0.000 3.041 209 T HA 0.347 4.697 4.350 -0.000 0.000 0.276 209 T C 0.698 175.331 174.700 -0.112 0.000 0.948 209 T CA -0.442 61.622 62.100 -0.061 0.000 0.885 209 T CB -0.103 68.724 68.868 -0.068 0.000 1.175 209 T HN 0.606 nan 8.240 nan 0.000 0.529 210 K N 0.353 120.679 120.400 -0.122 0.000 2.387 210 K HA 0.277 4.597 4.320 -0.000 0.000 0.198 210 K C -0.518 175.730 176.600 -0.587 0.000 1.022 210 K CA 0.086 56.156 56.287 -0.362 0.000 1.128 210 K CB 0.230 32.445 32.500 -0.476 0.000 0.853 210 K HN 0.453 nan 8.250 nan 0.000 0.523 211 Y N -0.393 119.890 120.300 -0.027 0.000 2.698 211 Y HA 0.212 4.762 4.550 -0.000 0.000 0.261 211 Y C 0.807 176.710 175.900 0.004 0.000 1.104 211 Y CA -0.701 57.394 58.100 -0.007 0.000 1.145 211 Y CB 0.113 38.580 38.460 0.011 0.000 1.191 211 Y HN 0.002 nan 8.280 nan 0.000 0.564 212 N N 0.631 119.367 118.700 0.060 0.000 2.289 212 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 212 N C 0.832 176.421 175.510 0.132 0.000 1.016 212 N CA 1.377 54.484 53.050 0.095 0.000 0.872 212 N CB 0.086 38.549 38.487 -0.040 0.000 0.973 212 N HN 0.448 nan 8.380 nan 0.000 0.433 213 D N -0.266 120.170 120.400 0.060 0.000 2.317 213 D HA -0.024 4.616 4.640 -0.000 0.000 0.211 213 D C 0.442 176.772 176.300 0.051 0.000 0.966 213 D CA 0.855 54.869 54.000 0.024 0.000 0.876 213 D CB 0.075 40.871 40.800 -0.007 0.000 0.927 213 D HN 0.315 nan 8.370 nan 0.000 0.519 214 T N -2.484 112.133 114.554 0.105 0.000 3.418 214 T HA 0.331 4.681 4.350 -0.000 0.000 0.315 214 T C -2.305 172.473 174.700 0.129 0.000 1.447 214 T CA -1.696 60.468 62.100 0.106 0.000 1.641 214 T CB 1.875 70.811 68.868 0.113 0.000 0.904 214 T HN -0.288 nan 8.240 nan 0.000 0.640 215 P HA -0.203 nan 4.420 nan 0.000 0.217 215 P C 1.358 178.716 177.300 0.097 0.000 1.162 215 P CA 1.445 64.632 63.100 0.145 0.000 0.901 215 P CB 0.120 31.926 31.700 0.177 0.000 0.793 216 E N -1.049 119.196 120.200 0.073 0.000 2.463 216 E HA -0.148 4.202 4.350 -0.000 0.000 0.201 216 E C 1.226 177.824 176.600 -0.002 0.000 1.045 216 E CA 0.627 57.050 56.400 0.038 0.000 0.872 216 E CB -0.135 29.585 29.700 0.033 0.000 0.797 216 E HN 0.273 nan 8.360 nan 0.000 0.538 217 K N -0.751 119.638 120.400 -0.018 0.000 2.355 217 K HA 0.211 4.531 4.320 -0.000 0.000 0.198 217 K C 1.589 178.006 176.600 -0.306 0.000 1.039 217 K CA 0.358 56.572 56.287 -0.121 0.000 1.075 217 K CB 0.632 33.081 32.500 -0.085 0.000 0.870 217 K HN 0.006 nan 8.250 nan 0.000 0.540 218 A N 1.461 124.179 122.820 -0.169 0.000 1.865 218 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 218 A C 1.502 178.980 177.584 -0.175 0.000 1.191 218 A CA 1.320 53.249 52.037 -0.180 0.000 0.623 218 A CB -0.417 18.623 19.000 0.066 0.000 0.826 218 A HN 0.192 nan 8.150 nan 0.000 0.444 219 S N 0.835 116.488 115.700 -0.078 0.000 2.430 219 S HA 0.344 4.814 4.470 -0.000 0.000 0.282 219 S C 0.356 174.895 174.600 -0.102 0.000 1.186 219 S CA -0.456 57.712 58.200 -0.053 0.000 1.060 219 S CB -0.272 62.922 63.200 -0.009 0.000 0.966 219 S HN 0.476 nan 8.310 nan 0.000 0.501 220 R N 2.913 123.344 120.500 -0.116 0.000 2.638 220 R HA 0.190 4.530 4.340 -0.000 0.000 0.261 220 R C -0.757 175.483 176.300 -0.100 0.000 1.515 220 R CA -0.646 55.389 56.100 -0.109 0.000 1.623 220 R CB -0.883 29.327 30.300 -0.151 0.000 1.347 220 R HN 0.413 nan 8.270 nan 0.000 0.705 221 T N 2.126 116.579 114.554 -0.168 0.000 2.891 221 T HA -0.070 4.280 4.350 -0.000 0.000 0.296 221 T C -0.055 174.465 174.700 -0.301 0.000 1.025 221 T CA 0.907 62.781 62.100 -0.377 0.000 1.149 221 T CB -0.139 68.370 68.868 -0.598 0.000 1.007 221 T HN 0.559 nan 8.240 nan 0.000 0.528 222 Y N -1.232 119.075 120.300 0.011 0.000 4.936 222 Y HA -0.209 4.341 4.550 -0.000 0.000 0.260 222 Y C 0.673 176.579 175.900 0.010 0.000 0.928 222 Y CA 0.440 58.547 58.100 0.012 0.000 1.869 222 Y CB -2.273 36.193 38.460 0.010 0.000 1.344 222 Y HN 0.780 nan 8.280 nan 0.000 0.521 223 D N 0.489 120.952 120.400 0.104 0.000 2.350 223 D HA 0.574 5.214 4.640 -0.000 0.000 0.249 223 D C 1.293 177.620 176.300 0.046 0.000 1.119 223 D CA 0.739 54.789 54.000 0.083 0.000 0.886 223 D CB 1.317 42.154 40.800 0.062 0.000 1.195 223 D HN 0.259 nan 8.370 nan 0.000 0.437 224 A N 3.196 126.014 122.820 -0.004 0.000 2.032 224 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 224 A C 1.135 178.507 177.584 -0.354 0.000 1.165 224 A CA 1.487 53.405 52.037 -0.198 0.000 0.645 224 A CB -0.616 18.193 19.000 -0.320 0.000 0.807 224 A HN 0.793 nan 8.150 nan 0.000 0.453 225 H N -0.560 118.565 119.070 0.092 0.000 2.487 225 H HA 0.206 4.762 4.556 -0.000 0.000 0.290 225 H C 0.554 175.985 175.328 0.172 0.000 1.081 225 H CA -0.234 55.897 56.048 0.137 0.000 1.116 225 H CB -0.003 29.869 29.762 0.183 0.000 1.560 225 H HN 0.616 nan 8.280 nan 0.000 0.548 226 R N 1.426 122.014 120.500 0.146 0.000 2.734 226 R HA 0.040 4.380 4.340 -0.000 0.000 0.266 226 R C -0.475 175.921 176.300 0.159 0.000 1.044 226 R CA 0.362 56.529 56.100 0.111 0.000 1.128 226 R CB 0.442 30.766 30.300 0.039 0.000 1.010 226 R HN 0.242 nan 8.270 nan 0.000 0.461 227 D N -0.063 120.439 120.400 0.170 0.000 2.914 227 D HA 0.222 4.862 4.640 -0.000 0.000 0.349 227 D C -0.092 176.272 176.300 0.106 0.000 1.540 227 D CA 0.056 54.146 54.000 0.149 0.000 0.778 227 D CB 0.300 41.209 40.800 0.183 0.000 1.213 227 D HN 0.946 nan 8.370 nan 0.000 0.451 228 G N 0.473 109.331 108.800 0.097 0.000 2.484 228 G HA2 0.235 4.195 3.960 -0.000 0.000 0.685 228 G HA3 0.235 4.195 3.960 -0.000 0.000 0.685 228 G C -0.524 174.421 174.900 0.076 0.000 1.294 228 G CA -0.716 44.424 45.100 0.066 0.000 0.879 228 G HN 0.366 nan 8.290 nan 0.000 0.646 229 F N -0.219 119.771 119.950 0.067 0.000 2.380 229 F HA 0.774 5.301 4.527 -0.000 0.000 0.325 229 F C 0.346 176.172 175.800 0.043 0.000 1.136 229 F CA -1.431 56.591 58.000 0.037 0.000 1.171 229 F CB 1.143 40.179 39.000 0.060 0.000 1.230 229 F HN 0.386 nan 8.300 nan 0.000 0.554 230 V N 4.772 124.860 119.914 0.291 0.000 2.350 230 V HA 0.228 4.348 4.120 -0.000 0.000 0.276 230 V C 0.399 176.689 176.094 0.327 0.000 1.028 230 V CA -0.809 61.609 62.300 0.196 0.000 0.860 230 V CB 0.918 32.834 31.823 0.154 0.000 0.990 230 V HN 0.847 nan 8.190 nan 0.000 0.453 231 I N 4.629 125.348 120.570 0.249 0.000 2.754 231 I HA 0.475 4.645 4.170 -0.000 0.000 0.285 231 I C 0.535 176.759 176.117 0.178 0.000 1.166 231 I CA 0.569 62.012 61.300 0.238 0.000 1.417 231 I CB 0.892 38.976 38.000 0.140 0.000 1.382 231 I HN 0.805 nan 8.210 nan 0.000 0.588 232 A N 4.558 127.423 122.820 0.075 0.000 2.583 232 A HA 0.875 5.195 4.320 -0.000 0.000 0.289 232 A C -0.701 176.848 177.584 -0.059 0.000 1.151 232 A CA -0.094 51.940 52.037 -0.004 0.000 0.695 232 A CB 1.282 20.287 19.000 0.009 0.000 1.290 232 A HN 0.834 nan 8.150 nan 0.000 0.419 233 G N -1.871 106.853 108.800 -0.127 0.000 2.680 233 G HA2 0.929 4.889 3.960 -0.000 0.000 0.290 233 G HA3 0.929 4.889 3.960 -0.000 0.000 0.290 233 G C -0.117 174.644 174.900 -0.231 0.000 1.355 233 G CA -0.173 44.872 45.100 -0.093 0.000 0.903 233 G HN 2.296 nan 8.290 nan 0.000 0.474 234 G N -1.931 106.732 108.800 -0.229 0.000 2.350 234 G HA2 0.647 4.607 3.960 -0.000 0.000 0.282 234 G HA3 0.647 4.607 3.960 -0.000 0.000 0.282 234 G C -0.357 174.499 174.900 -0.074 0.000 1.314 234 G CA 0.255 45.067 45.100 -0.480 0.000 0.915 234 G HN 1.996 nan 8.290 nan 0.000 0.499 235 G N -1.965 106.789 108.800 -0.076 0.000 2.649 235 G HA2 1.012 4.972 3.960 -0.000 0.000 0.290 235 G HA3 1.012 4.972 3.960 -0.000 0.000 0.290 235 G C -0.391 174.490 174.900 -0.032 0.000 1.426 235 G CA 0.394 45.511 45.100 0.027 0.000 0.794 235 G HN 2.141 nan 8.290 nan 0.000 0.483 236 G N -1.364 107.416 108.800 -0.034 0.000 2.667 236 G HA2 0.670 4.630 3.960 -0.000 0.000 0.294 236 G HA3 0.670 4.630 3.960 -0.000 0.000 0.294 236 G C -1.735 173.124 174.900 -0.068 0.000 1.467 236 G CA -0.551 44.504 45.100 -0.075 0.000 0.852 236 G HN 0.995 nan 8.290 nan 0.000 0.521 237 M N 0.889 120.440 119.600 -0.082 0.000 2.365 237 M HA 0.664 5.144 4.480 -0.000 0.000 0.287 237 M C -0.971 175.286 176.300 -0.072 0.000 1.154 237 M CA -0.653 54.604 55.300 -0.071 0.000 0.941 237 M CB 2.288 34.835 32.600 -0.088 0.000 1.704 237 M HN 1.194 nan 8.290 nan 0.000 0.479 238 V N 1.457 121.334 119.914 -0.061 0.000 3.001 238 V HA 0.924 5.044 4.120 -0.000 0.000 0.314 238 V C -1.172 174.891 176.094 -0.052 0.000 1.099 238 V CA -0.930 61.326 62.300 -0.073 0.000 0.989 238 V CB 1.896 33.652 31.823 -0.112 0.000 1.040 238 V HN 0.610 nan 8.190 nan 0.000 0.434 239 V N 2.847 122.719 119.914 -0.070 0.000 2.333 239 V HA 0.387 4.507 4.120 -0.000 0.000 0.274 239 V C 0.049 176.038 176.094 -0.177 0.000 1.028 239 V CA -0.407 61.786 62.300 -0.178 0.000 0.851 239 V CB 1.110 32.844 31.823 -0.147 0.000 1.000 239 V HN 0.719 nan 8.190 nan 0.000 0.456 240 V N 5.145 124.923 119.914 -0.227 0.000 2.406 240 V HA 0.441 4.561 4.120 -0.000 0.000 0.272 240 V C 0.117 176.087 176.094 -0.208 0.000 1.043 240 V CA -0.216 61.978 62.300 -0.176 0.000 0.915 240 V CB 1.265 32.990 31.823 -0.163 0.000 0.988 240 V HN 0.965 nan 8.190 nan 0.000 0.466 241 E N 2.904 123.015 120.200 -0.148 0.000 2.343 241 E HA 0.359 4.709 4.350 -0.000 0.000 0.270 241 E C -0.774 175.773 176.600 -0.087 0.000 0.895 241 E CA -0.763 55.550 56.400 -0.146 0.000 0.767 241 E CB 1.836 31.476 29.700 -0.100 0.000 1.248 241 E HN 0.674 nan 8.360 nan 0.000 0.440 242 E N 3.428 123.577 120.200 -0.086 0.000 2.360 242 E HA -0.023 4.327 4.350 -0.000 0.000 0.269 242 E C 0.816 177.426 176.600 0.017 0.000 1.022 242 E CA -0.141 56.240 56.400 -0.032 0.000 0.887 242 E CB 1.172 30.854 29.700 -0.030 0.000 0.990 242 E HN 0.602 nan 8.360 nan 0.000 0.426 243 L N 5.410 126.638 121.223 0.009 0.000 1.963 243 L HA -0.258 4.082 4.340 -0.000 0.000 0.220 243 L C 1.908 178.793 176.870 0.025 0.000 1.076 243 L CA 2.047 56.894 54.840 0.011 0.000 0.772 243 L CB -0.580 41.480 42.059 0.002 0.000 0.892 243 L HN 0.568 nan 8.230 nan 0.000 0.435 244 E N -0.991 119.227 120.200 0.030 0.000 2.085 244 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 244 E C 2.249 178.870 176.600 0.036 0.000 0.994 244 E CA 1.505 57.920 56.400 0.025 0.000 0.801 244 E CB -0.806 28.909 29.700 0.024 0.000 0.743 244 E HN 0.682 nan 8.360 nan 0.000 0.453 245 H N 0.548 119.604 119.070 -0.024 0.000 2.319 245 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 245 H C 1.840 177.153 175.328 -0.026 0.000 1.092 245 H CA 1.886 57.919 56.048 -0.024 0.000 1.302 245 H CB 0.122 29.865 29.762 -0.031 0.000 1.373 245 H HN 0.133 nan 8.280 nan 0.000 0.497 246 A N 1.155 124.053 122.820 0.129 0.000 1.873 246 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 246 A C 2.901 180.479 177.584 -0.010 0.000 1.186 246 A CA 1.178 53.252 52.037 0.062 0.000 0.616 246 A CB -0.871 18.152 19.000 0.039 0.000 0.823 246 A HN 0.421 nan 8.150 nan 0.000 0.442 247 L N -0.731 120.483 121.223 -0.015 0.000 2.131 247 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 247 L C 3.037 179.879 176.870 -0.046 0.000 1.092 247 L CA 0.901 55.724 54.840 -0.029 0.000 0.759 247 L CB -0.498 41.548 42.059 -0.022 0.000 0.903 247 L HN 0.452 nan 8.230 nan 0.000 0.435 248 A N 1.028 123.805 122.820 -0.071 0.000 1.972 248 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 248 A C 2.170 179.693 177.584 -0.102 0.000 1.169 248 A CA 1.600 53.580 52.037 -0.096 0.000 0.635 248 A CB -0.444 18.471 19.000 -0.141 0.000 0.810 248 A HN 0.579 nan 8.150 nan 0.000 0.446 249 R N -1.105 119.327 120.500 -0.114 0.000 2.466 249 R HA 0.369 4.709 4.340 -0.000 0.000 0.279 249 R C 0.833 177.109 176.300 -0.039 0.000 0.976 249 R CA 0.481 56.532 56.100 -0.082 0.000 1.081 249 R CB -0.746 29.497 30.300 -0.096 0.000 1.215 249 R HN 0.649 nan 8.270 nan 0.000 0.546 250 G N 0.860 109.639 108.800 -0.035 0.000 2.323 250 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.292 250 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.292 250 G C 0.277 175.173 174.900 -0.006 0.000 1.040 250 G CA 0.258 45.346 45.100 -0.020 0.000 0.942 250 G HN 0.719 nan 8.290 nan 0.000 0.506 251 A N 0.114 122.931 122.820 -0.006 0.000 2.332 251 A HA 0.577 4.897 4.320 -0.000 0.000 0.258 251 A C 0.625 178.212 177.584 0.005 0.000 1.087 251 A CA -0.074 51.970 52.037 0.012 0.000 0.802 251 A CB 0.305 19.313 19.000 0.014 0.000 1.042 251 A HN 0.936 nan 8.150 nan 0.000 0.489 252 H N 2.166 121.184 119.070 -0.086 0.000 2.864 252 H HA 0.349 4.905 4.556 -0.000 0.000 0.281 252 H C -0.957 174.258 175.328 -0.188 0.000 1.093 252 H CA -0.096 55.853 56.048 -0.165 0.000 1.453 252 H CB 0.198 29.821 29.762 -0.231 0.000 1.462 252 H HN 0.470 nan 8.280 nan 0.000 0.480 253 I N 6.990 127.225 120.570 -0.558 0.000 2.297 253 I HA -0.044 4.126 4.170 -0.000 0.000 0.291 253 I C 0.242 176.033 176.117 -0.544 0.000 1.033 253 I CA -0.522 60.534 61.300 -0.407 0.000 1.253 253 I CB 0.774 38.659 38.000 -0.191 0.000 1.396 253 I HN 0.678 nan 8.210 nan 0.000 0.476 254 Y N 5.284 125.355 120.300 -0.382 0.000 2.163 254 Y HA 0.085 4.635 4.550 -0.000 0.000 0.288 254 Y C 1.318 177.132 175.900 -0.143 0.000 1.136 254 Y CA 1.192 59.146 58.100 -0.243 0.000 1.147 254 Y CB 0.101 38.501 38.460 -0.100 0.000 0.987 254 Y HN 0.684 nan 8.280 nan 0.000 0.509 255 A N -0.973 121.883 122.820 0.061 0.000 2.515 255 A HA 0.407 4.727 4.320 -0.000 0.000 0.292 255 A C -1.511 176.076 177.584 0.006 0.000 1.065 255 A CA -0.833 51.216 52.037 0.021 0.000 0.641 255 A CB 0.668 19.691 19.000 0.038 0.000 1.306 255 A HN 0.055 nan 8.150 nan 0.000 0.441 256 E N 0.480 120.681 120.200 0.002 0.000 2.166 256 E HA 0.587 4.937 4.350 -0.000 0.000 0.275 256 E C -1.158 175.446 176.600 0.007 0.000 0.941 256 E CA -0.607 55.793 56.400 -0.000 0.000 0.784 256 E CB 0.916 30.616 29.700 -0.000 0.000 1.115 256 E HN 0.488 nan 8.360 nan 0.000 0.399 257 I N 5.972 126.544 120.570 0.002 0.000 2.311 257 I HA 0.005 4.175 4.170 -0.000 0.000 0.297 257 I C 1.149 177.285 176.117 0.032 0.000 1.131 257 I CA -0.201 61.107 61.300 0.013 0.000 1.289 257 I CB 0.605 38.600 38.000 -0.007 0.000 1.446 257 I HN 0.480 nan 8.210 nan 0.000 0.524 258 V N 2.635 122.574 119.914 0.042 0.000 3.649 258 V HA 0.483 4.603 4.120 -0.000 0.000 0.275 258 V C 0.724 176.862 176.094 0.073 0.000 1.281 258 V CA 0.149 62.480 62.300 0.050 0.000 1.143 258 V CB -0.341 31.506 31.823 0.041 0.000 0.892 258 V HN 0.715 nan 8.190 nan 0.000 0.441 259 G N -0.411 108.444 108.800 0.092 0.000 2.768 259 G HA2 0.522 4.482 3.960 -0.000 0.000 0.297 259 G HA3 0.522 4.482 3.960 -0.000 0.000 0.297 259 G C -2.241 172.771 174.900 0.187 0.000 1.430 259 G CA -0.539 44.631 45.100 0.117 0.000 1.030 259 G HN 0.405 nan 8.290 nan 0.000 0.553 260 Y N 1.431 121.752 120.300 0.034 0.000 2.301 260 Y HA 0.654 5.204 4.550 -0.000 0.000 0.325 260 Y C -0.142 175.786 175.900 0.047 0.000 1.103 260 Y CA -1.065 57.057 58.100 0.036 0.000 1.182 260 Y CB 1.509 39.990 38.460 0.034 0.000 1.139 260 Y HN 0.852 nan 8.280 nan 0.000 0.443 261 G N 3.063 111.718 108.800 -0.241 0.000 2.388 261 G HA2 0.731 4.691 3.960 -0.000 0.000 0.330 261 G HA3 0.731 4.691 3.960 -0.000 0.000 0.330 261 G C -1.536 173.151 174.900 -0.354 0.000 1.142 261 G CA -0.603 44.309 45.100 -0.313 0.000 0.908 261 G HN 1.167 nan 8.290 nan 0.000 0.473 262 A N 1.639 124.271 122.820 -0.314 0.000 2.499 262 A HA 0.796 5.116 4.320 -0.000 0.000 0.280 262 A C 0.081 177.646 177.584 -0.031 0.000 1.135 262 A CA -0.123 51.875 52.037 -0.067 0.000 0.744 262 A CB 1.018 19.955 19.000 -0.105 0.000 1.213 262 A HN 1.396 nan 8.150 nan 0.000 0.434 263 T N -1.359 113.218 114.554 0.038 0.000 2.773 263 T HA 0.871 5.221 4.350 -0.000 0.000 0.278 263 T C -0.084 174.633 174.700 0.028 0.000 1.011 263 T CA -0.501 61.602 62.100 0.004 0.000 1.014 263 T CB 1.767 70.623 68.868 -0.020 0.000 1.293 263 T HN 1.302 nan 8.240 nan 0.000 0.554 264 S N -1.105 114.594 115.700 -0.001 0.000 2.541 264 S HA 0.452 4.922 4.470 -0.000 0.000 0.280 264 S C -0.297 174.293 174.600 -0.017 0.000 1.112 264 S CA -0.645 57.557 58.200 0.004 0.000 0.925 264 S CB 1.636 64.837 63.200 0.001 0.000 1.067 264 S HN 0.688 nan 8.310 nan 0.000 0.479 265 D N 2.614 123.003 120.400 -0.017 0.000 2.162 265 D HA 0.162 4.802 4.640 -0.000 0.000 0.205 265 D C 1.425 177.713 176.300 -0.020 0.000 0.964 265 D CA 1.412 55.393 54.000 -0.032 0.000 0.847 265 D CB -0.551 40.227 40.800 -0.036 0.000 0.988 265 D HN 1.070 nan 8.370 nan 0.000 0.480 266 G N 0.448 109.242 108.800 -0.009 0.000 2.323 266 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.292 266 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.292 266 G C 0.633 175.527 174.900 -0.010 0.000 1.040 266 G CA 0.884 45.979 45.100 -0.008 0.000 0.942 266 G HN 0.619 nan 8.290 nan 0.000 0.506 267 A N -0.909 121.906 122.820 -0.009 0.000 1.780 267 A HA 0.674 4.994 4.320 -0.000 0.000 0.178 267 A C 0.444 178.022 177.584 -0.010 0.000 2.054 267 A CA 1.135 53.165 52.037 -0.011 0.000 1.289 267 A CB 0.336 19.327 19.000 -0.016 0.000 0.942 267 A HN 0.552 nan 8.150 nan 0.000 0.659 268 D N -1.302 119.092 120.400 -0.010 0.000 2.198 268 D HA 0.508 5.148 4.640 -0.000 0.000 0.247 268 D C 1.031 177.320 176.300 -0.019 0.000 1.010 268 D CA -0.502 53.488 54.000 -0.016 0.000 0.880 268 D CB 0.918 41.708 40.800 -0.017 0.000 1.209 268 D HN 0.093 nan 8.370 nan 0.000 0.451 269 M N 1.989 121.564 119.600 -0.043 0.000 2.288 269 M HA 0.012 4.492 4.480 -0.000 0.000 0.266 269 M C 1.200 177.407 176.300 -0.156 0.000 1.072 269 M CA 0.973 56.236 55.300 -0.061 0.000 1.132 269 M CB -0.198 32.361 32.600 -0.068 0.000 1.386 269 M HN 0.488 nan 8.290 nan 0.000 0.432 270 V N -3.728 116.043 119.914 -0.239 0.000 3.276 270 V HA 0.686 4.806 4.120 -0.000 0.000 0.319 270 V C 0.152 176.132 176.094 -0.191 0.000 1.476 270 V CA -0.261 61.720 62.300 -0.533 0.000 1.097 270 V CB -0.478 30.899 31.823 -0.743 0.000 0.988 270 V HN 0.122 nan 8.190 nan 0.000 0.473 271 A N 1.625 124.426 122.820 -0.031 0.000 2.449 271 A HA 0.951 5.271 4.320 -0.000 0.000 0.302 271 A C -3.131 174.490 177.584 0.061 0.000 1.048 271 A CA -1.618 50.452 52.037 0.055 0.000 0.708 271 A CB 1.706 20.724 19.000 0.029 0.000 1.274 271 A HN 0.194 nan 8.150 nan 0.000 0.410 272 P HA 0.218 nan 4.420 nan 0.000 0.278 272 P C 0.548 177.835 177.300 -0.021 0.000 1.238 272 P CA -0.107 62.998 63.100 0.007 0.000 0.794 272 P CB 1.706 33.405 31.700 -0.001 0.000 0.955 273 S N 1.137 116.800 115.700 -0.060 0.000 2.456 273 S HA 0.233 4.703 4.470 -0.000 0.000 0.224 273 S C 1.562 176.124 174.600 -0.063 0.000 1.035 273 S CA 0.904 59.075 58.200 -0.049 0.000 0.940 273 S CB -0.852 62.318 63.200 -0.049 0.000 0.799 273 S HN 0.722 nan 8.310 nan 0.000 0.508 274 G N 2.255 110.985 108.800 -0.117 0.000 2.490 274 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.214 274 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.214 274 G C 0.934 175.768 174.900 -0.111 0.000 1.151 274 G CA 0.831 45.862 45.100 -0.114 0.000 0.684 274 G HN 0.720 nan 8.290 nan 0.000 0.518 275 E N 1.659 121.810 120.200 -0.081 0.000 2.204 275 E HA 0.254 4.604 4.350 -0.000 0.000 0.195 275 E C 2.335 178.884 176.600 -0.085 0.000 0.990 275 E CA 2.175 58.535 56.400 -0.068 0.000 0.821 275 E CB -1.011 28.660 29.700 -0.048 0.000 0.750 275 E HN 0.924 nan 8.360 nan 0.000 0.477 276 G N 0.551 109.283 108.800 -0.113 0.000 2.403 276 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 276 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 276 G C 1.738 176.542 174.900 -0.159 0.000 1.154 276 G CA 0.690 45.718 45.100 -0.119 0.000 0.784 276 G HN 0.474 nan 8.290 nan 0.000 0.538 277 A N 0.319 122.978 122.820 -0.268 0.000 1.898 277 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 277 A C 2.588 180.122 177.584 -0.085 0.000 1.181 277 A CA 1.692 53.538 52.037 -0.318 0.000 0.620 277 A CB -0.604 18.067 19.000 -0.548 0.000 0.819 277 A HN 0.224 nan 8.150 nan 0.000 0.442 278 V N 0.199 120.067 119.914 -0.077 0.000 2.255 278 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 278 V C 2.637 178.702 176.094 -0.049 0.000 1.051 278 V CA 2.359 64.631 62.300 -0.048 0.000 1.018 278 V CB -0.868 30.925 31.823 -0.050 0.000 0.641 278 V HN 0.527 nan 8.190 nan 0.000 0.445 279 R N -1.018 119.450 120.500 -0.052 0.000 2.096 279 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 279 R C 2.402 178.680 176.300 -0.036 0.000 1.127 279 R CA 1.670 57.742 56.100 -0.047 0.000 0.968 279 R CB -0.887 29.384 30.300 -0.048 0.000 0.861 279 R HN 0.575 nan 8.270 nan 0.000 0.440 280 C N 0.682 119.970 119.300 -0.020 0.000 2.429 280 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 280 C C 2.577 177.584 174.990 0.028 0.000 1.262 280 C CA 0.814 59.840 59.018 0.012 0.000 1.733 280 C CB -0.617 27.170 27.740 0.078 0.000 2.010 280 C HN 0.456 nan 8.230 nan 0.000 0.483 281 M N -0.035 119.591 119.600 0.044 0.000 2.200 281 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 281 M C 2.256 178.537 176.300 -0.031 0.000 1.066 281 M CA 1.567 56.890 55.300 0.038 0.000 1.127 281 M CB -0.410 32.227 32.600 0.060 0.000 1.379 281 M HN 0.362 nan 8.290 nan 0.000 0.420 282 K N 0.175 120.538 120.400 -0.061 0.000 2.097 282 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 282 K C 1.998 178.593 176.600 -0.008 0.000 1.050 282 K CA 1.263 57.510 56.287 -0.067 0.000 0.938 282 K CB -0.195 32.266 32.500 -0.065 0.000 0.718 282 K HN 0.332 nan 8.250 nan 0.000 0.442 283 M N 0.591 120.182 119.600 -0.015 0.000 2.117 283 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 283 M C 2.022 178.328 176.300 0.010 0.000 1.065 283 M CA 1.742 57.031 55.300 -0.018 0.000 1.114 283 M CB -0.067 32.490 32.600 -0.072 0.000 1.361 283 M HN 0.155 nan 8.290 nan 0.000 0.408 284 A N -0.182 122.644 122.820 0.011 0.000 2.066 284 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 284 A C 1.843 179.465 177.584 0.063 0.000 1.157 284 A CA 1.007 53.070 52.037 0.044 0.000 0.670 284 A CB -0.367 18.669 19.000 0.060 0.000 0.804 284 A HN 0.549 nan 8.150 nan 0.000 0.453 285 M N -0.697 118.931 119.600 0.046 0.000 2.510 285 M HA 0.071 4.551 4.480 -0.000 0.000 0.256 285 M C 0.683 177.007 176.300 0.039 0.000 1.132 285 M CA 0.271 55.591 55.300 0.033 0.000 1.105 285 M CB -0.947 31.637 32.600 -0.027 0.000 1.375 285 M HN 0.497 nan 8.290 nan 0.000 0.477 286 H N 1.049 120.106 119.070 -0.022 0.000 3.145 286 H HA 0.150 4.706 4.556 -0.000 0.000 0.288 286 H C 1.115 176.440 175.328 -0.005 0.000 0.969 286 H CA 1.941 57.978 56.048 -0.019 0.000 1.444 286 H CB 0.261 30.009 29.762 -0.024 0.000 1.500 286 H HN 0.613 nan 8.280 nan 0.000 0.552 287 G N 3.964 112.610 108.800 -0.257 0.000 2.241 287 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 287 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 287 G C 0.165 175.041 174.900 -0.039 0.000 0.998 287 G CA 0.160 45.199 45.100 -0.101 0.000 0.621 287 G HN 0.629 nan 8.290 nan 0.000 0.519 288 V N 3.489 123.391 119.914 -0.019 0.000 2.405 288 V HA 0.332 4.452 4.120 -0.000 0.000 0.264 288 V C 1.026 177.115 176.094 -0.009 0.000 1.048 288 V CA 0.390 62.693 62.300 0.004 0.000 0.966 288 V CB 1.271 33.112 31.823 0.030 0.000 1.015 288 V HN 0.511 nan 8.190 nan 0.000 0.477 289 D N 2.713 123.108 120.400 -0.007 0.000 2.336 289 D HA -0.001 4.639 4.640 -0.000 0.000 0.228 289 D C 0.590 176.895 176.300 0.007 0.000 1.120 289 D CA -0.028 53.967 54.000 -0.009 0.000 0.839 289 D CB 0.302 41.095 40.800 -0.013 0.000 0.932 289 D HN 0.602 nan 8.370 nan 0.000 0.509 290 T N -1.941 112.625 114.554 0.020 0.000 2.887 290 T HA 0.557 4.907 4.350 -0.000 0.000 0.288 290 T C -2.826 171.904 174.700 0.050 0.000 1.021 290 T CA -1.693 60.425 62.100 0.030 0.000 1.000 290 T CB 2.509 71.394 68.868 0.028 0.000 1.034 290 T HN -0.176 nan 8.240 nan 0.000 0.467 291 P HA 0.361 nan 4.420 nan 0.000 0.277 291 P C -0.481 176.863 177.300 0.073 0.000 1.240 291 P CA -0.703 62.446 63.100 0.082 0.000 0.798 291 P CB 0.629 32.366 31.700 0.062 0.000 0.979 292 I N 2.839 123.465 120.570 0.093 0.000 2.471 292 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 292 I C 1.310 177.406 176.117 -0.035 0.000 1.079 292 I CA 0.371 61.687 61.300 0.028 0.000 1.398 292 I CB 0.112 38.111 38.000 -0.001 0.000 1.403 292 I HN 0.346 nan 8.210 nan 0.000 0.530 293 D N 4.959 125.361 120.400 0.003 0.000 2.327 293 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 293 D C -0.125 176.217 176.300 0.070 0.000 0.989 293 D CA 1.001 55.014 54.000 0.020 0.000 0.873 293 D CB 0.640 41.463 40.800 0.038 0.000 0.955 293 D HN 0.506 nan 8.370 nan 0.000 0.515 294 Y N 0.825 121.070 120.300 -0.092 0.000 2.482 294 Y HA 0.391 4.941 4.550 -0.000 0.000 0.334 294 Y C -2.116 173.725 175.900 -0.098 0.000 1.091 294 Y CA -1.276 56.764 58.100 -0.100 0.000 1.027 294 Y CB 1.484 39.888 38.460 -0.094 0.000 1.306 294 Y HN -0.284 nan 8.280 nan 0.000 0.446 295 L N 7.708 128.357 121.223 -0.956 0.000 2.342 295 L HA 0.443 4.783 4.340 -0.000 0.000 0.276 295 L C -1.208 175.067 176.870 -0.991 0.000 0.997 295 L CA -0.228 54.161 54.840 -0.752 0.000 0.838 295 L CB 1.124 42.922 42.059 -0.435 0.000 1.224 295 L HN 0.924 nan 8.230 nan 0.000 0.416 296 N N 3.383 121.614 118.700 -0.783 0.000 2.439 296 N HA 0.091 4.831 4.740 -0.000 0.000 0.243 296 N C -0.088 175.307 175.510 -0.192 0.000 1.088 296 N CA -0.021 52.798 53.050 -0.384 0.000 0.940 296 N CB 0.894 39.338 38.487 -0.071 0.000 1.180 296 N HN 0.732 nan 8.380 nan 0.000 0.505 297 S N 2.729 118.361 115.700 -0.113 0.000 2.608 297 S HA -0.012 4.458 4.470 -0.000 0.000 0.261 297 S C 1.274 175.830 174.600 -0.074 0.000 1.314 297 S CA -0.161 58.014 58.200 -0.042 0.000 0.992 297 S CB 1.080 64.346 63.200 0.109 0.000 0.935 297 S HN 0.744 nan 8.310 nan 0.000 0.564 298 H N 1.586 120.521 119.070 -0.225 0.000 2.403 298 H HA 0.191 4.747 4.556 -0.000 0.000 0.298 298 H C 1.531 176.714 175.328 -0.241 0.000 1.059 298 H CA 0.961 56.818 56.048 -0.318 0.000 1.363 298 H CB -1.069 28.419 29.762 -0.455 0.000 1.410 298 H HN 0.997 nan 8.280 nan 0.000 0.528 299 G N 1.134 109.813 108.800 -0.201 0.000 2.741 299 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.341 299 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.341 299 G C 1.064 175.693 174.900 -0.452 0.000 0.174 299 G CA 1.013 45.912 45.100 -0.336 0.000 1.200 299 G HN 0.743 nan 8.290 nan 0.000 0.461 300 T N -1.107 113.165 114.554 -0.470 0.000 3.081 300 T HA 0.321 4.671 4.350 -0.000 0.000 0.255 300 T C 1.338 175.970 174.700 -0.114 0.000 1.113 300 T CA 1.001 62.865 62.100 -0.394 0.000 1.082 300 T CB 0.246 68.877 68.868 -0.395 0.000 0.939 300 T HN 1.827 nan 8.240 nan 0.000 0.506 301 S N 0.739 116.352 115.700 -0.145 0.000 3.777 301 S HA -0.118 4.352 4.470 -0.000 0.000 0.296 301 S C 0.144 174.761 174.600 0.029 0.000 1.173 301 S CA 0.467 58.616 58.200 -0.085 0.000 0.824 301 S CB -2.141 61.028 63.200 -0.051 0.000 0.932 301 S HN 1.211 nan 8.310 nan 0.000 0.571 302 T N -0.857 113.731 114.554 0.057 0.000 2.925 302 T HA 0.695 5.045 4.350 -0.000 0.000 0.285 302 T C -1.611 173.144 174.700 0.092 0.000 1.021 302 T CA -1.630 60.544 62.100 0.122 0.000 1.042 302 T CB 1.636 70.629 68.868 0.208 0.000 1.037 302 T HN -0.044 nan 8.240 nan 0.000 0.481 303 P HA -0.108 nan 4.420 nan 0.000 0.213 303 P C 1.636 178.989 177.300 0.088 0.000 1.170 303 P CA 0.657 63.805 63.100 0.081 0.000 0.902 303 P CB -0.036 31.709 31.700 0.075 0.000 0.789 304 V N -0.484 119.491 119.914 0.102 0.000 2.346 304 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 304 V C 2.592 178.762 176.094 0.125 0.000 1.037 304 V CA 2.302 64.663 62.300 0.102 0.000 1.029 304 V CB -1.923 29.957 31.823 0.096 0.000 0.663 304 V HN 0.162 nan 8.190 nan 0.000 0.454 305 G N 0.196 109.090 108.800 0.157 0.000 2.476 305 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 305 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 305 G C 1.185 176.195 174.900 0.184 0.000 1.164 305 G CA 1.289 46.506 45.100 0.195 0.000 0.768 305 G HN 0.497 nan 8.290 nan 0.000 0.560 306 D N 0.124 120.598 120.400 0.123 0.000 2.116 306 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 306 D C 2.901 179.354 176.300 0.254 0.000 0.998 306 D CA 1.890 55.960 54.000 0.117 0.000 0.836 306 D CB -0.650 40.137 40.800 -0.022 0.000 0.951 306 D HN 0.385 nan 8.370 nan 0.000 0.449 307 V N -1.432 118.599 119.914 0.196 0.000 2.591 307 V HA -0.028 4.092 4.120 -0.000 0.000 0.249 307 V C 1.983 178.161 176.094 0.140 0.000 1.053 307 V CA 0.945 63.349 62.300 0.172 0.000 1.068 307 V CB -0.355 31.541 31.823 0.122 0.000 0.689 307 V HN -0.038 nan 8.190 nan 0.000 0.462 308 K N 0.756 121.234 120.400 0.130 0.000 2.063 308 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 308 K C 2.246 178.915 176.600 0.115 0.000 1.048 308 K CA 2.152 58.498 56.287 0.098 0.000 0.928 308 K CB -0.214 32.335 32.500 0.082 0.000 0.713 308 K HN 0.778 nan 8.250 nan 0.000 0.442 309 E N 1.074 121.389 120.200 0.192 0.000 2.077 309 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 309 E C 2.122 178.847 176.600 0.208 0.000 0.989 309 E CA 0.749 57.305 56.400 0.260 0.000 0.800 309 E CB -0.028 29.921 29.700 0.416 0.000 0.746 309 E HN 0.189 nan 8.360 nan 0.000 0.452 310 L N 0.406 121.743 121.223 0.189 0.000 2.131 310 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 310 L C 2.660 179.585 176.870 0.091 0.000 1.092 310 L CA 0.980 55.891 54.840 0.118 0.000 0.759 310 L CB -0.466 41.637 42.059 0.074 0.000 0.903 310 L HN 0.256 nan 8.230 nan 0.000 0.435 311 A N -0.045 122.827 122.820 0.087 0.000 1.930 311 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 311 A C 2.530 180.151 177.584 0.062 0.000 1.175 311 A CA 1.520 53.594 52.037 0.062 0.000 0.627 311 A CB -0.529 18.501 19.000 0.049 0.000 0.815 311 A HN 0.386 nan 8.150 nan 0.000 0.443 312 A N -0.009 122.853 122.820 0.071 0.000 1.898 312 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 312 A C 2.095 179.741 177.584 0.104 0.000 1.181 312 A CA 1.395 53.467 52.037 0.059 0.000 0.620 312 A CB -0.563 18.460 19.000 0.038 0.000 0.819 312 A HN 0.479 nan 8.150 nan 0.000 0.442 313 I N -0.756 119.912 120.570 0.164 0.000 2.226 313 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 313 I C 2.773 179.051 176.117 0.269 0.000 1.100 313 I CA 1.344 62.804 61.300 0.267 0.000 1.374 313 I CB -0.358 37.770 38.000 0.213 0.000 1.057 313 I HN 0.310 nan 8.210 nan 0.000 0.413 314 R N 0.463 121.053 120.500 0.150 0.000 2.083 314 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 314 R C 2.260 178.616 176.300 0.092 0.000 1.137 314 R CA 1.837 58.006 56.100 0.116 0.000 0.951 314 R CB -0.456 29.883 30.300 0.064 0.000 0.851 314 R HN 0.428 nan 8.270 nan 0.000 0.434 315 E N 0.454 120.687 120.200 0.054 0.000 2.110 315 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 315 E C 1.919 178.500 176.600 -0.031 0.000 0.988 315 E CA 1.289 57.696 56.400 0.011 0.000 0.804 315 E CB 0.200 29.899 29.700 -0.002 0.000 0.745 315 E HN 0.120 nan 8.360 nan 0.000 0.458 316 V N 0.042 119.916 119.914 -0.066 0.000 2.307 316 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 316 V C 1.682 177.528 176.094 -0.414 0.000 1.045 316 V CA 1.631 63.763 62.300 -0.280 0.000 1.024 316 V CB -0.420 31.142 31.823 -0.435 0.000 0.651 316 V HN 0.271 nan 8.190 nan 0.000 0.449 317 F N 0.147 120.098 119.950 0.002 0.000 2.765 317 F HA 0.470 4.997 4.527 -0.000 0.000 0.302 317 F C 1.849 177.647 175.800 -0.003 0.000 1.111 317 F CA 0.461 58.460 58.000 -0.002 0.000 1.359 317 F CB -0.695 38.302 39.000 -0.005 0.000 1.097 317 F HN 0.251 nan 8.300 nan 0.000 0.577 318 G N 0.848 109.713 108.800 0.107 0.000 2.690 318 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.334 318 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.334 318 G C 0.425 175.373 174.900 0.080 0.000 1.250 318 G CA 0.873 46.014 45.100 0.068 0.000 0.994 318 G HN 0.290 nan 8.290 nan 0.000 0.549 319 D N 1.958 122.395 120.400 0.061 0.000 2.706 319 D HA 0.347 4.987 4.640 -0.000 0.000 0.236 319 D C 0.666 176.999 176.300 0.055 0.000 1.231 319 D CA 0.338 54.367 54.000 0.048 0.000 0.828 319 D CB 0.184 41.003 40.800 0.030 0.000 1.015 319 D HN 0.476 nan 8.370 nan 0.000 0.484 320 K N -0.140 120.314 120.400 0.091 0.000 3.394 320 K HA 0.163 4.483 4.320 -0.000 0.000 0.175 320 K C -0.424 176.228 176.600 0.087 0.000 1.047 320 K CA -0.294 56.046 56.287 0.089 0.000 0.814 320 K CB 1.098 33.667 32.500 0.116 0.000 0.803 320 K HN -0.188 nan 8.250 nan 0.000 0.522 321 S N 3.592 119.308 115.700 0.025 0.000 2.549 321 S HA 0.160 4.630 4.470 -0.000 0.000 0.283 321 S C -1.607 172.874 174.600 -0.198 0.000 1.320 321 S CA -0.702 57.442 58.200 -0.094 0.000 1.058 321 S CB 0.095 63.259 63.200 -0.059 0.000 0.882 321 S HN 0.286 nan 8.310 nan 0.000 0.498 322 P HA 0.427 nan 4.420 nan 0.000 0.281 322 P C -0.875 176.299 177.300 -0.210 0.000 1.264 322 P CA -0.738 62.172 63.100 -0.316 0.000 0.824 322 P CB 0.699 32.094 31.700 -0.509 0.000 1.092 323 A N 1.521 124.279 122.820 -0.102 0.000 2.498 323 A HA 0.404 4.724 4.320 -0.000 0.000 0.239 323 A C 0.287 177.845 177.584 -0.045 0.000 1.068 323 A CA 0.193 52.219 52.037 -0.019 0.000 0.766 323 A CB -0.686 18.363 19.000 0.081 0.000 1.003 323 A HN 0.496 nan 8.150 nan 0.000 0.497 324 I N 0.835 121.390 120.570 -0.025 0.000 2.865 324 I HA 0.581 4.751 4.170 -0.000 0.000 0.302 324 I C -0.121 176.045 176.117 0.082 0.000 1.140 324 I CA -0.303 60.953 61.300 -0.072 0.000 1.021 324 I CB 2.694 40.608 38.000 -0.142 0.000 1.233 324 I HN 0.817 nan 8.210 nan 0.000 0.427 325 S N 3.017 118.803 115.700 0.143 0.000 2.542 325 S HA 0.794 5.264 4.470 -0.000 0.000 0.276 325 S C -1.226 173.497 174.600 0.204 0.000 1.148 325 S CA -0.779 57.557 58.200 0.226 0.000 0.886 325 S CB 1.767 65.132 63.200 0.274 0.000 1.109 325 S HN 0.860 nan 8.310 nan 0.000 0.458 326 A N 2.327 125.267 122.820 0.201 0.000 2.273 326 A HA 0.616 4.936 4.320 -0.000 0.000 0.320 326 A C 1.199 178.798 177.584 0.025 0.000 1.358 326 A CA -0.172 51.910 52.037 0.074 0.000 0.910 326 A CB -0.070 18.898 19.000 -0.055 0.000 1.159 326 A HN 1.423 nan 8.150 nan 0.000 0.526 327 T N 0.174 114.747 114.554 0.032 0.000 3.035 327 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 327 T C 1.400 176.068 174.700 -0.053 0.000 1.109 327 T CA 1.196 63.285 62.100 -0.018 0.000 1.119 327 T CB -0.274 68.579 68.868 -0.026 0.000 0.900 327 T HN 0.635 nan 8.240 nan 0.000 0.503 328 K N 1.243 121.604 120.400 -0.066 0.000 2.281 328 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 328 K C 2.616 179.175 176.600 -0.069 0.000 1.046 328 K CA 0.984 57.218 56.287 -0.088 0.000 0.938 328 K CB -0.408 31.976 32.500 -0.194 0.000 0.737 328 K HN 0.494 nan 8.250 nan 0.000 0.458 329 A N 0.861 123.637 122.820 -0.073 0.000 2.024 329 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 329 A C 1.974 179.532 177.584 -0.043 0.000 1.164 329 A CA 1.452 53.453 52.037 -0.059 0.000 0.643 329 A CB -0.272 18.698 19.000 -0.049 0.000 0.806 329 A HN 0.207 nan 8.150 nan 0.000 0.451 330 M N -1.508 118.061 119.600 -0.051 0.000 2.556 330 M HA -0.027 4.453 4.480 -0.000 0.000 0.259 330 M C 2.390 178.663 176.300 -0.044 0.000 1.175 330 M CA 1.623 56.890 55.300 -0.054 0.000 1.202 330 M CB -0.244 32.302 32.600 -0.090 0.000 1.298 330 M HN 0.553 nan 8.290 nan 0.000 0.492 331 T N -1.763 112.759 114.554 -0.054 0.000 3.043 331 T HA 0.378 4.728 4.350 -0.000 0.000 0.263 331 T C 1.075 175.787 174.700 0.021 0.000 1.094 331 T CA 0.578 62.667 62.100 -0.018 0.000 1.127 331 T CB -0.281 68.596 68.868 0.015 0.000 0.905 331 T HN 0.587 nan 8.240 nan 0.000 0.490 332 G N 0.905 109.720 108.800 0.025 0.000 2.728 332 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.294 332 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.294 332 G C -0.925 174.020 174.900 0.075 0.000 1.342 332 G CA -0.310 44.834 45.100 0.073 0.000 0.866 332 G HN 0.805 nan 8.290 nan 0.000 0.534 333 H N 0.776 119.830 119.070 -0.026 0.000 2.641 333 H HA 0.603 5.159 4.556 -0.000 0.000 0.295 333 H C 1.622 176.855 175.328 -0.159 0.000 1.070 333 H CA -0.035 55.905 56.048 -0.180 0.000 1.257 333 H CB 0.716 30.206 29.762 -0.452 0.000 1.393 333 H HN 0.821 nan 8.280 nan 0.000 0.464 334 S N 4.876 120.659 115.700 0.139 0.000 2.701 334 S HA 0.102 4.572 4.470 -0.000 0.000 0.220 334 S C 1.348 175.909 174.600 -0.065 0.000 0.954 334 S CA 0.071 58.273 58.200 0.004 0.000 0.936 334 S CB -0.532 62.665 63.200 -0.004 0.000 0.777 334 S HN 0.713 nan 8.310 nan 0.000 0.518 335 L N -0.106 121.001 121.223 -0.192 0.000 5.154 335 L HA -0.354 3.986 4.340 -0.000 0.000 0.053 335 L C 2.257 179.090 176.870 -0.060 0.000 3.137 335 L CA 1.425 56.073 54.840 -0.320 0.000 1.466 335 L CB -2.181 39.670 42.059 -0.346 0.000 2.980 335 L HN 0.418 nan 8.230 nan 0.000 0.938 336 G N -0.905 107.872 108.800 -0.040 0.000 2.450 336 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.220 336 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.220 336 G C 1.301 176.203 174.900 0.003 0.000 1.130 336 G CA 1.511 46.614 45.100 0.005 0.000 0.760 336 G HN 0.884 nan 8.290 nan 0.000 0.557 337 A N 0.372 123.190 122.820 -0.003 0.000 2.218 337 A HA 0.633 4.953 4.320 -0.000 0.000 0.209 337 A C 2.553 180.106 177.584 -0.052 0.000 1.168 337 A CA 1.324 53.350 52.037 -0.019 0.000 0.804 337 A CB -0.261 18.734 19.000 -0.009 0.000 0.834 337 A HN 0.570 nan 8.150 nan 0.000 0.482 338 A N 0.209 123.014 122.820 -0.026 0.000 1.883 338 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 338 A C 2.384 179.904 177.584 -0.107 0.000 1.186 338 A CA 1.967 53.977 52.037 -0.045 0.000 0.624 338 A CB -1.415 17.592 19.000 0.012 0.000 0.822 338 A HN 0.704 nan 8.150 nan 0.000 0.444 339 G N -0.794 107.951 108.800 -0.092 0.000 2.514 339 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 339 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 339 G C 1.685 176.495 174.900 -0.149 0.000 1.198 339 G CA 1.566 46.594 45.100 -0.120 0.000 0.780 339 G HN 0.685 nan 8.290 nan 0.000 0.565 340 V N 0.200 120.029 119.914 -0.141 0.000 2.358 340 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 340 V C 2.772 178.708 176.094 -0.262 0.000 1.047 340 V CA 2.610 64.810 62.300 -0.166 0.000 1.035 340 V CB -0.319 31.431 31.823 -0.122 0.000 0.658 340 V HN 0.537 nan 8.190 nan 0.000 0.452 341 Q N -0.471 119.142 119.800 -0.312 0.000 2.084 341 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 341 Q C 2.169 177.549 176.000 -1.034 0.000 0.978 341 Q CA 2.198 57.655 55.803 -0.575 0.000 0.844 341 Q CB -0.140 28.334 28.738 -0.440 0.000 0.898 341 Q HN 0.716 nan 8.270 nan 0.000 0.426 342 E N 0.092 119.926 120.200 -0.610 0.000 2.208 342 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 342 E C 1.795 178.259 176.600 -0.228 0.000 0.988 342 E CA 0.637 56.807 56.400 -0.384 0.000 0.828 342 E CB 0.046 29.677 29.700 -0.114 0.000 0.763 342 E HN 0.331 nan 8.360 nan 0.000 0.478 343 A N 0.824 123.504 122.820 -0.234 0.000 1.929 343 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 343 A C 2.088 179.575 177.584 -0.162 0.000 1.176 343 A CA 0.791 52.738 52.037 -0.150 0.000 0.628 343 A CB -0.364 18.549 19.000 -0.144 0.000 0.816 343 A HN 0.141 nan 8.150 nan 0.000 0.444 344 I N -1.348 119.065 120.570 -0.261 0.000 2.252 344 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 344 I C 2.251 178.324 176.117 -0.074 0.000 1.102 344 I CA 1.178 62.344 61.300 -0.223 0.000 1.385 344 I CB -0.436 37.404 38.000 -0.266 0.000 1.064 344 I HN 0.368 nan 8.210 nan 0.000 0.414 345 Y N 0.818 121.094 120.300 -0.040 0.000 2.224 345 Y HA -0.181 4.369 4.550 -0.000 0.000 0.289 345 Y C 2.932 178.806 175.900 -0.044 0.000 1.146 345 Y CA 0.769 58.855 58.100 -0.023 0.000 1.182 345 Y CB -1.362 37.094 38.460 -0.007 0.000 0.983 345 Y HN 0.102 nan 8.280 nan 0.000 0.524 346 S N 0.019 115.798 115.700 0.132 0.000 2.383 346 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 346 S C 2.135 176.752 174.600 0.029 0.000 1.026 346 S CA 0.974 59.240 58.200 0.109 0.000 0.981 346 S CB -0.533 62.741 63.200 0.124 0.000 0.818 346 S HN 0.351 nan 8.310 nan 0.000 0.472 347 L N 0.887 122.108 121.223 -0.004 0.000 2.109 347 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 347 L C 2.192 179.093 176.870 0.052 0.000 1.086 347 L CA 0.891 55.722 54.840 -0.016 0.000 0.760 347 L CB -0.503 41.465 42.059 -0.152 0.000 0.910 347 L HN 0.281 nan 8.230 nan 0.000 0.437 348 L N -0.995 120.277 121.223 0.081 0.000 2.093 348 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 348 L C 2.639 179.633 176.870 0.205 0.000 1.085 348 L CA 1.274 56.265 54.840 0.252 0.000 0.755 348 L CB -0.299 41.925 42.059 0.276 0.000 0.904 348 L HN 0.312 nan 8.230 nan 0.000 0.435 349 M N -0.908 118.600 119.600 -0.154 0.000 2.159 349 M HA -0.227 4.253 4.480 -0.000 0.000 0.263 349 M C 2.270 178.430 176.300 -0.233 0.000 1.063 349 M CA 1.548 56.473 55.300 -0.625 0.000 1.110 349 M CB -0.260 31.830 32.600 -0.849 0.000 1.374 349 M HN 0.213 nan 8.290 nan 0.000 0.411 350 L N 0.486 121.659 121.223 -0.083 0.000 2.056 350 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 350 L C 2.211 179.101 176.870 0.034 0.000 1.078 350 L CA 1.949 56.783 54.840 -0.010 0.000 0.749 350 L CB -0.500 41.574 42.059 0.025 0.000 0.901 350 L HN 0.204 nan 8.230 nan 0.000 0.433 351 E N -1.358 118.890 120.200 0.080 0.000 2.107 351 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 351 E C 1.693 178.197 176.600 -0.160 0.000 0.982 351 E CA 1.409 57.812 56.400 0.006 0.000 0.809 351 E CB -0.077 29.686 29.700 0.106 0.000 0.756 351 E HN 0.636 nan 8.360 nan 0.000 0.459 352 H N -1.292 117.895 119.070 0.195 0.000 2.586 352 H HA 0.286 4.842 4.556 -0.000 0.000 0.273 352 H C 0.469 175.942 175.328 0.242 0.000 0.997 352 H CA 0.463 56.648 56.048 0.229 0.000 1.177 352 H CB 0.707 30.654 29.762 0.308 0.000 1.471 352 H HN 0.250 nan 8.280 nan 0.000 0.538 353 G N 2.091 111.027 108.800 0.226 0.000 2.370 353 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.295 353 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.295 353 G C -0.282 174.761 174.900 0.237 0.000 1.045 353 G CA 0.691 45.882 45.100 0.151 0.000 1.199 353 G HN 0.517 nan 8.290 nan 0.000 0.513 354 F N -1.525 118.410 119.950 -0.025 0.000 2.719 354 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 354 F C -0.997 174.704 175.800 -0.165 0.000 1.138 354 F CA -2.194 55.766 58.000 -0.068 0.000 0.943 354 F CB 1.114 40.087 39.000 -0.045 0.000 1.304 354 F HN 0.095 nan 8.300 nan 0.000 0.445 355 I N 2.894 123.329 120.570 -0.226 0.000 2.389 355 I HA 0.609 4.779 4.170 -0.000 0.000 0.288 355 I C 0.148 176.159 176.117 -0.178 0.000 0.999 355 I CA -1.094 59.916 61.300 -0.483 0.000 1.129 355 I CB 1.633 39.445 38.000 -0.313 0.000 1.288 355 I HN 0.975 nan 8.210 nan 0.000 0.444 356 A N 9.375 132.019 122.820 -0.292 0.000 2.462 356 A HA 0.449 4.769 4.320 -0.000 0.000 0.243 356 A C -2.303 175.288 177.584 0.012 0.000 1.076 356 A CA -0.907 51.144 52.037 0.023 0.000 0.773 356 A CB -0.361 18.628 19.000 -0.018 0.000 1.010 356 A HN 0.435 nan 8.150 nan 0.000 0.493 357 P HA 0.145 nan 4.420 nan 0.000 0.276 357 P C -0.371 176.958 177.300 0.050 0.000 1.244 357 P CA -0.290 62.836 63.100 0.043 0.000 0.801 357 P CB 1.205 32.924 31.700 0.032 0.000 1.006 358 S N 2.027 117.770 115.700 0.071 0.000 2.466 358 S HA 0.370 4.840 4.470 -0.000 0.000 0.313 358 S C 0.628 175.266 174.600 0.063 0.000 1.078 358 S CA -0.827 57.428 58.200 0.091 0.000 1.115 358 S CB -1.416 61.883 63.200 0.165 0.000 1.006 358 S HN 0.335 nan 8.310 nan 0.000 0.487 359 I N 1.673 122.260 120.570 0.029 0.000 3.211 359 I HA 0.448 4.618 4.170 -0.000 0.000 0.297 359 I C 0.398 176.519 176.117 0.006 0.000 1.095 359 I CA -0.542 60.766 61.300 0.013 0.000 1.239 359 I CB 0.246 38.243 38.000 -0.005 0.000 1.455 359 I HN 0.486 nan 8.210 nan 0.000 0.630 360 N N 0.879 119.577 118.700 -0.004 0.000 2.714 360 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 360 N C -0.557 174.954 175.510 0.002 0.000 1.117 360 N CA 0.956 53.994 53.050 -0.020 0.000 0.719 360 N CB -1.512 36.938 38.487 -0.063 0.000 1.081 360 N HN 0.598 nan 8.380 nan 0.000 0.557 361 I N 1.220 121.810 120.570 0.033 0.000 2.268 361 I HA 0.048 4.218 4.170 -0.000 0.000 0.290 361 I C 1.418 177.569 176.117 0.056 0.000 1.125 361 I CA -0.110 61.226 61.300 0.060 0.000 1.236 361 I CB 0.316 38.366 38.000 0.085 0.000 1.469 361 I HN 0.027 nan 8.210 nan 0.000 0.512 362 E N 3.738 123.976 120.200 0.063 0.000 2.230 362 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 362 E C 0.512 177.164 176.600 0.086 0.000 0.987 362 E CA 0.608 57.048 56.400 0.067 0.000 0.841 362 E CB 0.474 30.213 29.700 0.065 0.000 0.783 362 E HN 0.527 nan 8.360 nan 0.000 0.481 363 E N 1.142 121.408 120.200 0.111 0.000 2.361 363 E HA 0.140 4.490 4.350 -0.000 0.000 0.270 363 E C -1.505 175.143 176.600 0.080 0.000 0.911 363 E CA -0.542 55.921 56.400 0.105 0.000 0.818 363 E CB 1.150 30.948 29.700 0.164 0.000 1.332 363 E HN -0.070 nan 8.360 nan 0.000 0.402 364 L N 4.302 125.561 121.223 0.061 0.000 2.499 364 L HA 0.097 4.437 4.340 -0.000 0.000 0.273 364 L C 0.254 177.150 176.870 0.042 0.000 1.195 364 L CA 0.592 55.466 54.840 0.055 0.000 0.882 364 L CB 0.625 42.703 42.059 0.032 0.000 1.133 364 L HN 0.565 nan 8.230 nan 0.000 0.483 365 D N 3.493 123.928 120.400 0.057 0.000 2.488 365 D HA -0.088 4.552 4.640 -0.000 0.000 0.238 365 D C 0.879 177.196 176.300 0.027 0.000 1.138 365 D CA 0.454 54.478 54.000 0.040 0.000 0.873 365 D CB 0.926 41.773 40.800 0.078 0.000 1.183 365 D HN 0.821 nan 8.370 nan 0.000 0.458 366 E N 2.046 122.256 120.200 0.017 0.000 2.265 366 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 366 E C 1.009 177.618 176.600 0.014 0.000 0.996 366 E CA 0.988 57.396 56.400 0.013 0.000 0.832 366 E CB -0.121 29.585 29.700 0.011 0.000 0.756 366 E HN 0.542 nan 8.360 nan 0.000 0.491 367 Q N -0.074 119.741 119.800 0.025 0.000 2.415 367 Q HA 0.189 4.529 4.340 -0.000 0.000 0.206 367 Q C 0.953 176.961 176.000 0.014 0.000 0.946 367 Q CA 0.464 56.283 55.803 0.027 0.000 0.951 367 Q CB 0.625 29.390 28.738 0.045 0.000 1.026 367 Q HN 0.429 nan 8.270 nan 0.000 0.510 368 A N 0.040 122.855 122.820 -0.007 0.000 2.508 368 A HA 0.500 4.820 4.320 -0.000 0.000 0.257 368 A C 0.675 178.217 177.584 -0.069 0.000 1.226 368 A CA -0.216 51.778 52.037 -0.072 0.000 0.947 368 A CB 0.408 19.334 19.000 -0.123 0.000 1.079 368 A HN 0.254 nan 8.150 nan 0.000 0.531 369 A N -0.880 121.921 122.820 -0.032 0.000 2.483 369 A HA 0.462 4.782 4.320 -0.000 0.000 0.238 369 A C 1.626 179.193 177.584 -0.029 0.000 1.070 369 A CA 0.665 52.687 52.037 -0.025 0.000 0.770 369 A CB -0.453 18.541 19.000 -0.009 0.000 1.008 369 A HN 1.943 nan 8.150 nan 0.000 0.497 370 G N 0.005 108.789 108.800 -0.026 0.000 2.184 370 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.264 370 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.264 370 G C 0.017 174.896 174.900 -0.036 0.000 0.975 370 G CA 0.677 45.763 45.100 -0.023 0.000 0.642 370 G HN 0.792 nan 8.290 nan 0.000 0.536 371 L N -0.351 120.837 121.223 -0.059 0.000 2.322 371 L HA 0.534 4.874 4.340 -0.000 0.000 0.269 371 L C 0.342 177.164 176.870 -0.081 0.000 1.012 371 L CA -1.209 53.583 54.840 -0.080 0.000 0.815 371 L CB 1.529 43.515 42.059 -0.122 0.000 1.295 371 L HN 0.062 nan 8.230 nan 0.000 0.438 372 N N 2.434 121.086 118.700 -0.079 0.000 3.034 372 N HA 0.175 4.915 4.740 -0.000 0.000 0.265 372 N C -0.817 174.654 175.510 -0.065 0.000 1.166 372 N CA -0.316 52.699 53.050 -0.058 0.000 1.081 372 N CB 0.028 38.490 38.487 -0.041 0.000 1.378 372 N HN 0.310 nan 8.380 nan 0.000 0.520 373 I N 3.392 123.912 120.570 -0.083 0.000 2.329 373 I HA 0.097 4.267 4.170 -0.000 0.000 0.295 373 I C 0.172 176.282 176.117 -0.011 0.000 1.109 373 I CA -0.577 60.673 61.300 -0.084 0.000 1.297 373 I CB 0.122 38.030 38.000 -0.153 0.000 1.433 373 I HN 0.053 nan 8.210 nan 0.000 0.509 374 V N 7.214 127.144 119.914 0.027 0.000 2.450 374 V HA 0.007 4.127 4.120 -0.000 0.000 0.281 374 V C 1.525 177.647 176.094 0.047 0.000 1.019 374 V CA 0.385 62.709 62.300 0.039 0.000 1.062 374 V CB 0.422 32.279 31.823 0.055 0.000 0.979 374 V HN 0.888 nan 8.190 nan 0.000 0.477 375 T N 0.642 115.217 114.554 0.034 0.000 3.044 375 T HA 0.250 4.600 4.350 -0.000 0.000 0.260 375 T C 0.223 174.939 174.700 0.027 0.000 1.019 375 T CA -0.214 61.908 62.100 0.036 0.000 0.921 375 T CB -0.114 68.774 68.868 0.033 0.000 1.053 375 T HN 0.823 nan 8.240 nan 0.000 0.533 376 E N 0.588 120.803 120.200 0.026 0.000 2.290 376 E HA 0.401 4.751 4.350 -0.000 0.000 0.274 376 E C -1.362 175.255 176.600 0.029 0.000 0.889 376 E CA -0.993 55.419 56.400 0.021 0.000 0.760 376 E CB 1.188 30.896 29.700 0.014 0.000 1.206 376 E HN -0.098 nan 8.360 nan 0.000 0.419 377 T N 2.630 117.202 114.554 0.031 0.000 2.891 377 T HA 0.072 4.422 4.350 -0.000 0.000 0.296 377 T C -0.363 174.371 174.700 0.057 0.000 1.025 377 T CA 0.570 62.707 62.100 0.061 0.000 1.149 377 T CB 0.225 69.108 68.868 0.024 0.000 1.007 377 T HN 0.467 nan 8.240 nan 0.000 0.528 378 T N 4.033 118.640 114.554 0.089 0.000 2.881 378 T HA 0.238 4.588 4.350 -0.000 0.000 0.291 378 T C -0.628 174.131 174.700 0.100 0.000 0.990 378 T CA -0.913 61.225 62.100 0.064 0.000 0.976 378 T CB 1.211 70.099 68.868 0.032 0.000 0.970 378 T HN 0.453 nan 8.240 nan 0.000 0.438 379 D N 2.971 123.420 120.400 0.083 0.000 2.348 379 D HA 0.380 5.020 4.640 -0.000 0.000 0.253 379 D C 0.310 176.649 176.300 0.065 0.000 1.161 379 D CA 0.090 54.152 54.000 0.102 0.000 0.876 379 D CB 1.137 41.977 40.800 0.066 0.000 1.160 379 D HN 0.405 nan 8.370 nan 0.000 0.459 380 R N 1.563 122.102 120.500 0.065 0.000 2.604 380 R HA 0.101 4.441 4.340 -0.000 0.000 0.261 380 R C -1.266 175.050 176.300 0.027 0.000 1.080 380 R CA -0.634 55.485 56.100 0.032 0.000 0.917 380 R CB 1.565 31.871 30.300 0.011 0.000 1.252 380 R HN 0.320 nan 8.270 nan 0.000 0.456 381 E N 4.861 125.075 120.200 0.023 0.000 2.217 381 E HA 0.196 4.546 4.350 -0.000 0.000 0.279 381 E C -0.804 175.803 176.600 0.011 0.000 1.068 381 E CA -0.209 56.203 56.400 0.020 0.000 0.882 381 E CB 0.611 30.322 29.700 0.018 0.000 1.039 381 E HN 0.353 nan 8.360 nan 0.000 0.418 382 L N 3.330 124.556 121.223 0.005 0.000 2.334 382 L HA 0.387 4.727 4.340 -0.000 0.000 0.270 382 L C 0.840 177.718 176.870 0.014 0.000 1.018 382 L CA -0.528 54.316 54.840 0.007 0.000 0.811 382 L CB 1.894 43.948 42.059 -0.007 0.000 1.271 382 L HN 0.582 nan 8.230 nan 0.000 0.443 383 T N -1.848 112.719 114.554 0.021 0.000 3.115 383 T HA 0.106 4.456 4.350 -0.000 0.000 0.256 383 T C 0.183 174.900 174.700 0.028 0.000 0.970 383 T CA 0.245 62.357 62.100 0.021 0.000 1.010 383 T CB 0.727 69.605 68.868 0.018 0.000 1.151 383 T HN 0.584 nan 8.240 nan 0.000 0.479 384 T N 2.885 117.460 114.554 0.036 0.000 2.879 384 T HA 0.680 5.030 4.350 -0.000 0.000 0.290 384 T C -0.842 173.889 174.700 0.052 0.000 0.993 384 T CA -0.706 61.419 62.100 0.042 0.000 0.975 384 T CB 2.115 71.010 68.868 0.044 0.000 0.981 384 T HN 0.243 nan 8.240 nan 0.000 0.439 385 V N 1.143 121.090 119.914 0.055 0.000 2.914 385 V HA 0.871 4.991 4.120 -0.000 0.000 0.314 385 V C -0.664 175.443 176.094 0.023 0.000 1.084 385 V CA -1.207 61.128 62.300 0.059 0.000 0.963 385 V CB 2.162 34.064 31.823 0.131 0.000 1.025 385 V HN 0.980 nan 8.190 nan 0.000 0.432 386 M N 2.919 122.498 119.600 -0.036 0.000 2.530 386 M HA 0.774 5.254 4.480 -0.000 0.000 0.307 386 M C -0.934 175.308 176.300 -0.097 0.000 1.161 386 M CA -0.288 54.995 55.300 -0.029 0.000 0.903 386 M CB 2.224 34.837 32.600 0.022 0.000 1.711 386 M HN 0.992 nan 8.290 nan 0.000 0.451 387 S N 2.976 118.637 115.700 -0.065 0.000 2.614 387 S HA 0.574 5.044 4.470 -0.000 0.000 0.288 387 S C -1.525 172.999 174.600 -0.126 0.000 1.137 387 S CA -0.809 57.330 58.200 -0.102 0.000 0.992 387 S CB 1.075 64.228 63.200 -0.078 0.000 1.026 387 S HN 0.849 nan 8.310 nan 0.000 0.486 388 N N 2.049 120.625 118.700 -0.206 0.000 2.456 388 N HA 0.561 5.301 4.740 -0.000 0.000 0.296 388 N C -1.313 173.866 175.510 -0.551 0.000 1.102 388 N CA -0.410 52.394 53.050 -0.410 0.000 0.924 388 N CB 1.860 40.005 38.487 -0.570 0.000 1.186 388 N HN 0.481 nan 8.380 nan 0.000 0.492 389 S N 1.536 116.810 115.700 -0.711 0.000 2.776 389 S HA 0.509 4.979 4.470 -0.000 0.000 0.284 389 S C -1.308 172.904 174.600 -0.646 0.000 1.160 389 S CA -0.611 57.234 58.200 -0.592 0.000 1.051 389 S CB 0.256 63.278 63.200 -0.296 0.000 1.037 389 S HN 0.272 nan 8.310 nan 0.000 0.485 390 F N 1.301 120.792 119.950 -0.765 0.000 2.508 390 F HA 0.850 5.377 4.527 -0.000 0.000 0.325 390 F C 0.824 176.413 175.800 -0.353 0.000 1.090 390 F CA -1.055 56.639 58.000 -0.511 0.000 0.945 390 F CB 1.663 40.386 39.000 -0.462 0.000 1.156 390 F HN 0.612 nan 8.300 nan 0.000 0.463 391 G N 1.123 109.995 108.800 0.119 0.000 2.714 391 G HA2 0.564 4.524 3.960 -0.000 0.000 0.292 391 G HA3 0.564 4.524 3.960 -0.000 0.000 0.292 391 G C -1.180 173.912 174.900 0.320 0.000 1.308 391 G CA -0.872 44.318 45.100 0.151 0.000 0.964 391 G HN 0.465 nan 8.290 nan 0.000 0.484 392 F N 0.028 120.075 119.950 0.162 0.000 2.553 392 F HA 0.313 4.840 4.527 -0.000 0.000 0.356 392 F C 1.615 177.477 175.800 0.104 0.000 1.142 392 F CA 1.204 59.289 58.000 0.141 0.000 1.322 392 F CB 1.030 40.121 39.000 0.153 0.000 1.126 392 F HN 0.849 nan 8.300 nan 0.000 0.599 393 G N 1.250 110.197 108.800 0.245 0.000 2.141 393 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.231 393 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.231 393 G C 0.634 175.601 174.900 0.112 0.000 0.984 393 G CA 0.043 45.228 45.100 0.143 0.000 0.660 393 G HN 1.677 nan 8.290 nan 0.000 0.525 394 G N -0.917 107.956 108.800 0.121 0.000 2.305 394 G HA2 0.065 4.025 3.960 -0.000 0.000 0.287 394 G HA3 0.065 4.025 3.960 -0.000 0.000 0.287 394 G C 0.419 175.367 174.900 0.080 0.000 1.036 394 G CA 1.463 46.607 45.100 0.074 0.000 0.887 394 G HN 2.032 nan 8.290 nan 0.000 0.505 395 T N -0.447 114.189 114.554 0.137 0.000 2.767 395 T HA 0.591 4.941 4.350 -0.000 0.000 0.284 395 T C 0.297 175.128 174.700 0.218 0.000 0.973 395 T CA -0.301 61.908 62.100 0.183 0.000 0.996 395 T CB 0.305 69.313 68.868 0.233 0.000 0.927 395 T HN 0.477 nan 8.240 nan 0.000 0.456 396 N N 2.525 121.362 118.700 0.228 0.000 2.272 396 N HA 0.784 5.524 4.740 -0.000 0.000 0.305 396 N C -1.438 174.205 175.510 0.221 0.000 1.103 396 N CA -1.013 52.199 53.050 0.270 0.000 0.791 396 N CB 2.115 40.709 38.487 0.178 0.000 1.356 396 N HN 0.762 nan 8.380 nan 0.000 0.486 397 A N 0.452 123.333 122.820 0.101 0.000 2.488 397 A HA 0.739 5.059 4.320 -0.000 0.000 0.295 397 A C -0.941 176.647 177.584 0.007 0.000 1.045 397 A CA -0.702 51.330 52.037 -0.008 0.000 0.703 397 A CB 1.097 19.857 19.000 -0.399 0.000 1.271 397 A HN 0.607 nan 8.150 nan 0.000 0.400 398 T N 0.251 114.851 114.554 0.075 0.000 2.912 398 T HA 0.754 5.104 4.350 -0.000 0.000 0.299 398 T C -0.931 173.836 174.700 0.111 0.000 1.052 398 T CA -0.580 61.552 62.100 0.053 0.000 0.996 398 T CB 0.878 69.796 68.868 0.083 0.000 1.070 398 T HN 0.614 nan 8.240 nan 0.000 0.465 399 L N 2.549 123.812 121.223 0.067 0.000 2.362 399 L HA 0.803 5.143 4.340 -0.000 0.000 0.271 399 L C -0.891 176.012 176.870 0.056 0.000 1.002 399 L CA -1.346 53.545 54.840 0.086 0.000 0.818 399 L CB 2.465 44.545 42.059 0.035 0.000 1.298 399 L HN 0.532 nan 8.230 nan 0.000 0.420 400 V N 3.412 123.368 119.914 0.069 0.000 2.444 400 V HA 0.508 4.628 4.120 -0.000 0.000 0.294 400 V C -0.223 175.899 176.094 0.046 0.000 1.022 400 V CA -0.374 61.961 62.300 0.058 0.000 0.850 400 V CB 1.730 33.597 31.823 0.073 0.000 0.992 400 V HN 0.704 nan 8.190 nan 0.000 0.426 401 M N 5.203 124.824 119.600 0.035 0.000 2.311 401 M HA 0.634 5.114 4.480 -0.000 0.000 0.325 401 M C -0.483 175.836 176.300 0.031 0.000 1.061 401 M CA -0.353 54.963 55.300 0.027 0.000 0.957 401 M CB 2.357 34.966 32.600 0.016 0.000 1.646 401 M HN 0.584 nan 8.290 nan 0.000 0.434 402 R N 1.665 122.180 120.500 0.026 0.000 2.670 402 R HA 0.513 4.853 4.340 -0.000 0.000 0.289 402 R C -0.959 175.349 176.300 0.015 0.000 0.965 402 R CA -0.872 55.242 56.100 0.023 0.000 0.899 402 R CB 1.667 31.981 30.300 0.023 0.000 1.173 402 R HN 0.496 nan 8.270 nan 0.000 0.456 403 K N 2.401 122.808 120.400 0.012 0.000 2.448 403 K HA 0.043 4.363 4.320 -0.000 0.000 0.278 403 K C -0.689 175.906 176.600 -0.008 0.000 1.009 403 K CA -0.106 56.181 56.287 0.001 0.000 0.995 403 K CB 0.402 32.903 32.500 0.001 0.000 0.917 403 K HN 0.392 nan 8.250 nan 0.000 0.481 404 L N 4.426 125.635 121.223 -0.022 0.000 2.331 404 L HA 0.187 4.527 4.340 -0.000 0.000 0.278 404 L C -0.244 176.613 176.870 -0.022 0.000 1.106 404 L CA 0.285 55.111 54.840 -0.024 0.000 0.824 404 L CB 0.516 42.552 42.059 -0.039 0.000 1.142 404 L HN 0.597 nan 8.230 nan 0.000 0.443 405 K N 4.474 124.865 120.400 -0.015 0.000 2.580 405 K HA -0.009 4.311 4.320 -0.000 0.000 0.278 405 K C -0.305 176.285 176.600 -0.017 0.000 0.960 405 K CA 0.589 56.869 56.287 -0.012 0.000 0.988 405 K CB 0.005 32.500 32.500 -0.009 0.000 0.887 405 K HN 0.784 nan 8.250 nan 0.000 0.509 406 D N 0.000 120.392 120.400 -0.013 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 406 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683