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 3o8b_1_B DATA FIRST_RESID -15 DATA SEQUENCE GSVVIVGRII LSGSGSXXIT AYSQQTRGLL GCIITSLTGR DKNQVEGEVQ DATA SEQUENCE VVSTATQSFL ATCVNGVCWT VYHGAGSKTL AGPKGPITQM YTNVDQDLVG DATA SEQUENCE WQAPPGARSL TPCTCGSSDL YLVTRHADVI PVRRRGDSRG SLLSPRPVSY DATA SEQUENCE LKGSSGGPLL CPSGHAVGIF RAAVCTRGVA KAVDFVPVES METTMRSPVF DATA SEQUENCE TDNSSPPAVP QSFQVAHLHA PTGSGKSTKV PAAYAAQGYK VLVLNPSVAA DATA SEQUENCE TLGFGAYMSK AHGIDPNIRT GVRTITTGAP VTYSTYGKFL ADGGCSGGAY DATA SEQUENCE DIIICDECHS TDSTTILGIG TVLDQAETAG ARLVVLATAT PPGSVTVPHP DATA SEQUENCE NIEEVALSNT GEIPFYGKAI PIEAIRGGRH LIFCHSKKKC DELAAKLSGL DATA SEQUENCE GINAVAYYRG LDVSVIPTIG DVVVVATDAL MTGYTGDFDS VIDCNTCVTQ DATA SEQUENCE TVDFSLDPTF TIETTTVPQD AVSRSQRRGR TGRGRRGIYR FVTPGERPSG DATA SEQUENCE MFDSSVLCEC YDAGCAWYEL TPAETSVRLR AYLNTPGLPV CQDHLEFWES DATA SEQUENCE VFTGLTHIDA HFLSQTKQAG DNFPYLVAYQ ATVCARAQAP PPSWDQMWKC DATA SEQUENCE LIRLKPTLHG PTPLLYRLGA VQNEVTLTHP ITKYIMACMS ADLEVVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -15 G HA2 0.000 nan 3.960 nan 0.000 0.244 -15 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -15 G C 0.000 174.909 174.900 0.015 0.000 0.946 -15 G CA 0.000 45.107 45.100 0.012 0.000 0.502 -14 S N 0.079 115.774 115.700 -0.008 0.000 2.617 -14 S HA 0.645 5.115 4.470 -0.000 0.000 0.283 -14 S C 0.821 175.391 174.600 -0.050 0.000 1.189 -14 S CA -0.594 57.589 58.200 -0.029 0.000 1.036 -14 S CB 1.974 65.130 63.200 -0.074 0.000 1.014 -14 S HN 0.558 nan 8.310 nan 0.000 0.522 -13 V N 2.641 122.511 119.914 -0.073 0.000 2.843 -13 V HA 0.229 4.349 4.120 -0.000 0.000 0.305 -13 V C -0.108 175.845 176.094 -0.235 0.000 1.065 -13 V CA 0.019 62.242 62.300 -0.128 0.000 1.116 -13 V CB 1.033 32.774 31.823 -0.136 0.000 0.968 -13 V HN 0.623 nan 8.190 nan 0.000 0.487 -12 V N 5.524 125.309 119.914 -0.215 0.000 2.588 -12 V HA 0.443 4.562 4.120 -0.000 0.000 0.304 -12 V C -0.145 175.820 176.094 -0.214 0.000 1.042 -12 V CA -0.613 61.566 62.300 -0.202 0.000 0.877 -12 V CB 1.984 33.727 31.823 -0.134 0.000 0.996 -12 V HN 0.642 nan 8.190 nan 0.000 0.425 -11 I N 4.878 125.326 120.570 -0.203 0.000 2.452 -11 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 -11 I C 0.943 176.985 176.117 -0.126 0.000 1.079 -11 I CA 0.204 61.402 61.300 -0.171 0.000 1.387 -11 I CB 1.208 39.117 38.000 -0.152 0.000 1.404 -11 I HN 0.633 nan 8.210 nan 0.000 0.522 -10 V N 2.541 122.385 119.914 -0.117 0.000 3.432 -10 V HA 0.675 4.794 4.120 -0.000 0.000 0.298 -10 V C 0.487 176.542 176.094 -0.064 0.000 1.464 -10 V CA 0.375 62.625 62.300 -0.083 0.000 1.046 -10 V CB 0.017 31.793 31.823 -0.079 0.000 0.887 -10 V HN 0.859 nan 8.190 nan 0.000 0.441 -9 G N 0.790 109.548 108.800 -0.071 0.000 2.428 -9 G HA2 0.666 4.626 3.960 -0.000 0.000 0.304 -9 G HA3 0.666 4.626 3.960 -0.000 0.000 0.304 -9 G C -1.450 173.413 174.900 -0.062 0.000 1.303 -9 G CA -0.558 44.510 45.100 -0.053 0.000 0.825 -9 G HN 0.729 nan 8.290 nan 0.000 0.484 -8 R N -1.459 119.006 120.500 -0.058 0.000 2.710 -8 R HA 0.708 5.048 4.340 -0.000 0.000 0.270 -8 R C -1.649 174.593 176.300 -0.097 0.000 1.021 -8 R CA -1.006 55.050 56.100 -0.073 0.000 0.889 -8 R CB 1.552 31.808 30.300 -0.073 0.000 1.243 -8 R HN 0.385 nan 8.270 nan 0.000 0.464 -7 I N 3.188 123.692 120.570 -0.110 0.000 2.359 -7 I HA 0.296 4.465 4.170 -0.000 0.000 0.284 -7 I C -0.144 175.843 176.117 -0.216 0.000 1.018 -7 I CA -1.078 60.133 61.300 -0.149 0.000 1.173 -7 I CB 1.293 39.240 38.000 -0.088 0.000 1.326 -7 I HN 0.581 nan 8.210 nan 0.000 0.462 -6 I N 6.927 127.243 120.570 -0.423 0.000 2.396 -6 I HA 0.244 4.413 4.170 -0.000 0.000 0.289 -6 I C 0.408 176.333 176.117 -0.321 0.000 1.056 -6 I CA -0.267 60.754 61.300 -0.465 0.000 1.365 -6 I CB 0.495 37.963 38.000 -0.886 0.000 1.407 -6 I HN 0.297 nan 8.210 nan 0.000 0.509 -5 L N 5.437 126.566 121.223 -0.155 0.000 2.343 -5 L HA 0.354 4.694 4.340 -0.000 0.000 0.275 -5 L C 0.950 177.797 176.870 -0.038 0.000 1.056 -5 L CA -0.602 54.191 54.840 -0.078 0.000 0.804 -5 L CB 1.423 43.452 42.059 -0.049 0.000 1.203 -5 L HN 0.707 nan 8.230 nan 0.000 0.440 -4 S N 0.558 116.249 115.700 -0.014 0.000 2.584 -4 S HA 0.150 4.619 4.470 -0.000 0.000 0.270 -4 S C 1.092 175.687 174.600 -0.007 0.000 1.346 -4 S CA -0.173 58.031 58.200 0.007 0.000 1.018 -4 S CB 1.373 64.573 63.200 0.001 0.000 0.899 -4 S HN 0.793 nan 8.310 nan 0.000 0.542 -3 G N 0.399 109.200 108.800 0.003 0.000 2.430 -3 G HA2 0.329 4.288 3.960 -0.000 0.000 0.216 -3 G HA3 0.329 4.288 3.960 -0.000 0.000 0.216 -3 G C 0.432 175.322 174.900 -0.016 0.000 1.146 -3 G CA 0.575 45.674 45.100 -0.001 0.000 0.793 -3 G HN 1.685 nan 8.290 nan 0.000 0.537 -2 S N -3.330 112.355 115.700 -0.024 0.000 2.656 -2 S HA 0.468 4.938 4.470 -0.000 0.000 0.265 -2 S C -0.154 174.420 174.600 -0.043 0.000 1.110 -2 S CA 0.447 58.624 58.200 -0.039 0.000 0.821 -2 S CB 0.718 63.901 63.200 -0.029 0.000 1.099 -2 S HN 1.934 nan 8.310 nan 0.000 0.471 -1 G N 0.821 109.588 108.800 -0.054 0.000 2.547 -1 G HA2 0.297 4.256 3.960 -0.000 0.000 0.226 -1 G HA3 0.297 4.256 3.960 -0.000 0.000 0.226 -1 G C 0.330 175.189 174.900 -0.068 0.000 0.871 -1 G CA 0.619 45.687 45.100 -0.053 0.000 1.142 -1 G HN 2.158 nan 8.290 nan 0.000 0.362 4 T N 2.318 116.843 114.554 -0.049 0.000 2.906 4 T HA 0.990 5.340 4.350 -0.000 0.000 0.295 4 T C -0.679 174.036 174.700 0.024 0.000 1.075 4 T CA -0.753 61.348 62.100 0.001 0.000 1.005 4 T CB 2.608 71.491 68.868 0.026 0.000 1.136 4 T HN 0.883 nan 8.240 nan 0.000 0.498 5 A N 1.292 124.146 122.820 0.057 0.000 2.572 5 A HA 0.875 5.195 4.320 -0.000 0.000 0.295 5 A C -1.630 176.031 177.584 0.129 0.000 1.072 5 A CA -1.142 50.913 52.037 0.031 0.000 0.691 5 A CB 1.275 20.265 19.000 -0.016 0.000 1.291 5 A HN 1.582 nan 8.150 nan 0.000 0.404 6 Y N -0.679 119.626 120.300 0.008 0.000 2.625 6 Y HA 0.799 5.349 4.550 -0.000 0.000 0.338 6 Y C -0.176 175.730 175.900 0.011 0.000 1.123 6 Y CA -0.637 57.471 58.100 0.013 0.000 1.046 6 Y CB 1.022 39.488 38.460 0.009 0.000 1.299 6 Y HN 0.908 nan 8.280 nan 0.000 0.464 7 S N 1.162 116.964 115.700 0.170 0.000 2.608 7 S HA 0.671 5.141 4.470 -0.000 0.000 0.291 7 S C -1.068 173.609 174.600 0.127 0.000 1.146 7 S CA -0.958 57.278 58.200 0.060 0.000 1.043 7 S CB 1.830 65.066 63.200 0.060 0.000 1.037 7 S HN 0.720 nan 8.310 nan 0.000 0.520 8 Q N 1.090 120.916 119.800 0.045 0.000 2.290 8 Q HA 0.310 4.649 4.340 -0.000 0.000 0.269 8 Q C -1.191 174.823 176.000 0.023 0.000 1.016 8 Q CA -0.276 55.566 55.803 0.064 0.000 0.754 8 Q CB 2.362 31.134 28.738 0.056 0.000 1.247 8 Q HN 0.792 nan 8.270 nan 0.000 0.451 9 Q N 1.075 120.891 119.800 0.027 0.000 2.288 9 Q HA 0.208 4.548 4.340 -0.000 0.000 0.254 9 Q C 0.322 176.322 176.000 0.001 0.000 0.932 9 Q CA 0.409 56.217 55.803 0.008 0.000 0.902 9 Q CB 0.840 29.586 28.738 0.012 0.000 1.203 9 Q HN 0.810 nan 8.270 nan 0.000 0.415 10 T N 0.417 114.963 114.554 -0.014 0.000 2.986 10 T HA 0.377 4.727 4.350 -0.000 0.000 0.264 10 T C 0.062 174.748 174.700 -0.023 0.000 0.964 10 T CA -0.377 61.712 62.100 -0.018 0.000 0.895 10 T CB 0.544 69.396 68.868 -0.027 0.000 1.163 10 T HN 0.407 nan 8.240 nan 0.000 0.517 11 R N 0.311 120.795 120.500 -0.027 0.000 2.604 11 R HA 0.746 5.086 4.340 -0.000 0.000 0.281 11 R C 0.058 176.344 176.300 -0.022 0.000 1.020 11 R CA -0.137 55.946 56.100 -0.029 0.000 0.899 11 R CB 1.793 32.067 30.300 -0.044 0.000 1.205 11 R HN 0.316 nan 8.270 nan 0.000 0.450 12 G N 1.276 110.066 108.800 -0.017 0.000 2.568 12 G HA2 0.244 4.204 3.960 -0.000 0.000 0.293 12 G HA3 0.244 4.204 3.960 -0.000 0.000 0.293 12 G C 0.187 175.080 174.900 -0.012 0.000 1.347 12 G CA -0.492 44.602 45.100 -0.011 0.000 1.039 12 G HN 0.513 nan 8.290 nan 0.000 0.523 13 L N -0.499 120.720 121.223 -0.006 0.000 2.017 13 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 13 L C 2.466 179.332 176.870 -0.007 0.000 1.073 13 L CA 1.807 56.644 54.840 -0.005 0.000 0.745 13 L CB -0.682 41.378 42.059 0.002 0.000 0.894 13 L HN 0.442 nan 8.230 nan 0.000 0.432 14 L N -0.244 120.975 121.223 -0.006 0.000 2.056 14 L HA 0.068 4.408 4.340 -0.000 0.000 0.207 14 L C 2.320 179.183 176.870 -0.012 0.000 1.078 14 L CA 2.022 56.858 54.840 -0.006 0.000 0.749 14 L CB -1.460 40.597 42.059 -0.004 0.000 0.901 14 L HN 0.291 nan 8.230 nan 0.000 0.433 15 G N -1.299 107.492 108.800 -0.015 0.000 2.422 15 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 15 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 15 G C 1.811 176.693 174.900 -0.029 0.000 1.146 15 G CA 0.917 46.004 45.100 -0.022 0.000 0.769 15 G HN 0.570 nan 8.290 nan 0.000 0.547 16 C N 0.376 119.658 119.300 -0.030 0.000 2.436 16 C HA 0.037 4.497 4.460 -0.000 0.000 0.277 16 C C 2.869 177.840 174.990 -0.032 0.000 1.241 16 C CA 0.959 59.953 59.018 -0.039 0.000 1.721 16 C CB -1.030 26.688 27.740 -0.036 0.000 2.043 16 C HN 0.462 nan 8.230 nan 0.000 0.472 17 I N 0.634 121.192 120.570 -0.020 0.000 2.252 17 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 17 I C 2.421 178.530 176.117 -0.013 0.000 1.102 17 I CA 1.733 63.026 61.300 -0.012 0.000 1.385 17 I CB -0.483 37.514 38.000 -0.004 0.000 1.064 17 I HN 0.357 nan 8.210 nan 0.000 0.414 18 I N 0.538 121.100 120.570 -0.014 0.000 2.163 18 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 18 I C 2.565 178.669 176.117 -0.021 0.000 1.085 18 I CA 1.729 63.021 61.300 -0.014 0.000 1.347 18 I CB -0.680 37.312 38.000 -0.014 0.000 1.044 18 I HN 0.260 nan 8.210 nan 0.000 0.408 19 T N 0.279 114.814 114.554 -0.032 0.000 2.746 19 T HA -0.170 4.179 4.350 -0.000 0.000 0.267 19 T C 2.081 176.752 174.700 -0.048 0.000 1.039 19 T CA 1.796 63.869 62.100 -0.044 0.000 1.142 19 T CB -0.412 68.421 68.868 -0.059 0.000 0.866 19 T HN 0.552 nan 8.240 nan 0.000 0.444 20 S N 1.713 117.386 115.700 -0.044 0.000 2.382 20 S HA -0.073 4.396 4.470 -0.000 0.000 0.228 20 S C 1.948 176.534 174.600 -0.023 0.000 1.027 20 S CA 0.808 58.984 58.200 -0.040 0.000 0.991 20 S CB -0.621 62.562 63.200 -0.029 0.000 0.823 20 S HN 0.188 nan 8.310 nan 0.000 0.469 21 L N 2.421 123.635 121.223 -0.015 0.000 2.072 21 L HA 0.039 4.379 4.340 -0.000 0.000 0.205 21 L C 3.097 179.963 176.870 -0.007 0.000 1.079 21 L CA 2.111 56.949 54.840 -0.004 0.000 0.752 21 L CB -1.741 40.319 42.059 0.002 0.000 0.906 21 L HN 0.709 nan 8.230 nan 0.000 0.436 22 T N -4.145 110.401 114.554 -0.014 0.000 2.978 22 T HA 0.153 4.503 4.350 -0.000 0.000 0.262 22 T C 1.632 176.318 174.700 -0.023 0.000 1.063 22 T CA 0.676 62.767 62.100 -0.015 0.000 1.140 22 T CB -0.320 68.538 68.868 -0.018 0.000 0.886 22 T HN 0.392 nan 8.240 nan 0.000 0.470 23 G N 1.477 110.255 108.800 -0.036 0.000 2.155 23 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 23 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 23 G C 0.116 174.981 174.900 -0.059 0.000 0.983 23 G CA 0.281 45.350 45.100 -0.052 0.000 0.676 23 G HN 0.881 nan 8.290 nan 0.000 0.528 24 R N 0.472 120.942 120.500 -0.050 0.000 2.310 24 R HA 0.612 4.952 4.340 -0.000 0.000 0.324 24 R C -1.460 174.807 176.300 -0.055 0.000 0.955 24 R CA -0.697 55.374 56.100 -0.049 0.000 0.830 24 R CB 1.082 31.362 30.300 -0.034 0.000 1.154 24 R HN 0.127 nan 8.270 nan 0.000 0.458 25 D N 2.950 123.311 120.400 -0.065 0.000 2.686 25 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 25 D C -0.515 175.750 176.300 -0.059 0.000 1.260 25 D CA -0.495 53.464 54.000 -0.068 0.000 0.910 25 D CB 1.640 42.384 40.800 -0.093 0.000 1.323 25 D HN 0.555 nan 8.370 nan 0.000 0.561 26 K N 1.775 122.147 120.400 -0.047 0.000 2.358 26 K HA 0.236 4.556 4.320 -0.000 0.000 0.197 26 K C -0.030 176.547 176.600 -0.037 0.000 1.025 26 K CA -0.394 55.870 56.287 -0.039 0.000 1.104 26 K CB 0.205 32.687 32.500 -0.030 0.000 0.855 26 K HN 0.309 nan 8.250 nan 0.000 0.531 27 N N 2.501 121.176 118.700 -0.043 0.000 2.454 27 N HA -0.079 4.661 4.740 -0.000 0.000 0.260 27 N C -0.419 175.066 175.510 -0.040 0.000 1.218 27 N CA 0.299 53.325 53.050 -0.039 0.000 0.904 27 N CB 0.563 39.024 38.487 -0.044 0.000 1.065 27 N HN 0.183 nan 8.380 nan 0.000 0.462 28 Q N 1.229 121.010 119.800 -0.031 0.000 2.364 28 Q HA 0.135 4.474 4.340 -0.000 0.000 0.267 28 Q C -0.914 175.066 176.000 -0.033 0.000 0.999 28 Q CA -0.213 55.573 55.803 -0.028 0.000 0.886 28 Q CB 0.626 29.353 28.738 -0.019 0.000 1.243 28 Q HN 0.302 nan 8.270 nan 0.000 0.415 29 V N 4.855 124.749 119.914 -0.034 0.000 2.364 29 V HA 0.243 4.363 4.120 -0.000 0.000 0.272 29 V C -0.427 175.652 176.094 -0.025 0.000 1.036 29 V CA -0.202 62.076 62.300 -0.036 0.000 0.880 29 V CB 1.163 32.961 31.823 -0.042 0.000 0.991 29 V HN 0.818 nan 8.190 nan 0.000 0.460 30 E N 2.947 123.131 120.200 -0.026 0.000 2.244 30 E HA 0.743 5.093 4.350 -0.000 0.000 0.266 30 E C 0.340 176.925 176.600 -0.026 0.000 0.914 30 E CA -0.221 56.167 56.400 -0.020 0.000 0.794 30 E CB 2.142 31.832 29.700 -0.017 0.000 1.210 30 E HN 0.998 nan 8.360 nan 0.000 0.414 31 G N 1.552 110.338 108.800 -0.022 0.000 2.829 31 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.628 31 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.628 31 G C 0.462 175.356 174.900 -0.011 0.000 1.412 31 G CA 0.050 45.133 45.100 -0.029 0.000 0.864 31 G HN 0.661 nan 8.290 nan 0.000 0.544 32 E N -1.383 118.814 120.200 -0.005 0.000 2.216 32 E HA 0.135 4.485 4.350 -0.000 0.000 0.192 32 E C 1.113 177.731 176.600 0.030 0.000 0.973 32 E CA 1.157 57.571 56.400 0.023 0.000 0.851 32 E CB 0.179 29.900 29.700 0.035 0.000 0.804 32 E HN 0.669 nan 8.360 nan 0.000 0.477 33 V N 3.402 123.319 119.914 0.005 0.000 2.370 33 V HA 0.204 4.324 4.120 -0.000 0.000 0.283 33 V C -0.188 175.897 176.094 -0.015 0.000 1.023 33 V CA -0.698 61.609 62.300 0.010 0.000 0.857 33 V CB 1.457 33.281 31.823 0.001 0.000 0.985 33 V HN 0.098 nan 8.190 nan 0.000 0.443 34 Q N 3.133 122.930 119.800 -0.005 0.000 2.266 34 Q HA 0.574 4.913 4.340 -0.000 0.000 0.261 34 Q C -0.699 175.264 176.000 -0.062 0.000 0.985 34 Q CA -0.699 55.079 55.803 -0.042 0.000 0.873 34 Q CB 2.554 31.262 28.738 -0.050 0.000 1.306 34 Q HN 0.514 nan 8.270 nan 0.000 0.447 35 V N 2.546 122.406 119.914 -0.090 0.000 2.383 35 V HA 0.394 4.514 4.120 -0.000 0.000 0.275 35 V C 0.312 176.292 176.094 -0.189 0.000 1.036 35 V CA -0.620 61.607 62.300 -0.122 0.000 0.889 35 V CB 1.024 32.790 31.823 -0.095 0.000 0.985 35 V HN 0.579 nan 8.190 nan 0.000 0.459 36 V N 2.272 121.996 119.914 -0.317 0.000 2.919 36 V HA 0.941 5.061 4.120 -0.000 0.000 0.316 36 V C -0.199 175.583 176.094 -0.519 0.000 1.077 36 V CA -0.391 61.650 62.300 -0.431 0.000 0.977 36 V CB 2.166 33.670 31.823 -0.532 0.000 1.039 36 V HN 0.706 nan 8.190 nan 0.000 0.441 37 S N 0.890 116.372 115.700 -0.364 0.000 2.546 37 S HA 0.813 5.283 4.470 -0.000 0.000 0.274 37 S C -0.136 174.396 174.600 -0.113 0.000 1.121 37 S CA -0.202 57.867 58.200 -0.218 0.000 0.887 37 S CB 2.235 65.366 63.200 -0.116 0.000 1.094 37 S HN 1.329 nan 8.310 nan 0.000 0.474 38 T N -0.737 113.822 114.554 0.008 0.000 2.889 38 T HA 0.743 5.093 4.350 -0.000 0.000 0.278 38 T C 1.230 175.949 174.700 0.030 0.000 0.995 38 T CA -0.204 61.921 62.100 0.043 0.000 0.966 38 T CB 0.855 69.792 68.868 0.114 0.000 1.237 38 T HN 0.560 nan 8.240 nan 0.000 0.591 39 A N 0.131 122.968 122.820 0.030 0.000 2.119 39 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 39 A C 2.328 179.935 177.584 0.038 0.000 1.153 39 A CA 1.659 53.711 52.037 0.025 0.000 0.692 39 A CB -1.413 17.600 19.000 0.021 0.000 0.799 39 A HN 1.025 nan 8.150 nan 0.000 0.458 40 T N -2.582 112.005 114.554 0.055 0.000 2.983 40 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 40 T C 0.731 175.479 174.700 0.080 0.000 1.037 40 T CA 0.635 62.771 62.100 0.060 0.000 1.142 40 T CB -0.163 68.738 68.868 0.056 0.000 0.876 40 T HN 0.655 nan 8.240 nan 0.000 0.455 41 Q N -0.389 119.483 119.800 0.120 0.000 2.626 41 Q HA 0.747 5.087 4.340 -0.000 0.000 0.300 41 Q C -1.534 174.594 176.000 0.214 0.000 0.988 41 Q CA -1.154 54.750 55.803 0.168 0.000 0.761 41 Q CB 1.807 30.656 28.738 0.186 0.000 1.494 41 Q HN 0.054 nan 8.270 nan 0.000 0.439 42 S N 0.105 115.950 115.700 0.242 0.000 2.547 42 S HA 0.885 5.355 4.470 -0.000 0.000 0.281 42 S C -1.605 173.167 174.600 0.287 0.000 1.118 42 S CA -0.464 57.819 58.200 0.138 0.000 0.947 42 S CB 0.671 63.893 63.200 0.036 0.000 1.053 42 S HN 0.588 nan 8.310 nan 0.000 0.482 43 F N 1.803 121.754 119.950 0.002 0.000 3.523 43 F HA 0.721 5.248 4.527 -0.000 0.000 0.328 43 F C -1.949 173.859 175.800 0.014 0.000 1.181 43 F CA -1.296 56.709 58.000 0.009 0.000 0.901 43 F CB 0.488 39.496 39.000 0.013 0.000 1.586 43 F HN 0.403 nan 8.300 nan 0.000 0.520 44 L N 1.021 122.382 121.223 0.230 0.000 2.323 44 L HA 0.924 5.264 4.340 -0.000 0.000 0.265 44 L C -0.772 176.209 176.870 0.185 0.000 1.012 44 L CA -1.248 53.657 54.840 0.107 0.000 0.820 44 L CB 1.938 44.069 42.059 0.120 0.000 1.334 44 L HN 0.956 nan 8.230 nan 0.000 0.427 45 A N 0.505 123.399 122.820 0.123 0.000 2.393 45 A HA 0.807 5.126 4.320 -0.000 0.000 0.306 45 A C -0.827 176.861 177.584 0.172 0.000 1.050 45 A CA -0.418 51.741 52.037 0.204 0.000 0.724 45 A CB 1.753 20.883 19.000 0.215 0.000 1.248 45 A HN 0.574 nan 8.150 nan 0.000 0.424 46 T N 1.474 116.166 114.554 0.230 0.000 2.792 46 T HA 0.403 4.753 4.350 -0.000 0.000 0.280 46 T C -0.486 174.373 174.700 0.265 0.000 0.990 46 T CA -0.172 62.051 62.100 0.204 0.000 0.960 46 T CB 0.622 69.603 68.868 0.188 0.000 0.939 46 T HN 0.697 nan 8.240 nan 0.000 0.439 47 C N 4.006 123.420 119.300 0.190 0.000 2.394 47 C HA 0.652 5.112 4.460 -0.000 0.000 0.362 47 C C 0.269 175.395 174.990 0.227 0.000 1.268 47 C CA -0.684 58.448 59.018 0.191 0.000 1.828 47 C CB -0.956 26.848 27.740 0.106 0.000 2.442 47 C HN 0.657 nan 8.230 nan 0.000 0.549 48 V N 4.373 124.493 119.914 0.342 0.000 2.569 48 V HA 0.396 4.516 4.120 -0.000 0.000 0.301 48 V C 0.026 176.297 176.094 0.295 0.000 1.044 48 V CA -0.690 61.785 62.300 0.291 0.000 0.874 48 V CB 1.394 33.377 31.823 0.267 0.000 1.002 48 V HN 1.049 nan 8.190 nan 0.000 0.424 49 N N 3.623 122.426 118.700 0.171 0.000 2.725 49 N HA -0.219 4.520 4.740 -0.000 0.000 0.251 49 N C 1.072 176.663 175.510 0.134 0.000 1.031 49 N CA 0.671 53.805 53.050 0.139 0.000 0.720 49 N CB -0.717 37.855 38.487 0.141 0.000 0.930 49 N HN 1.522 nan 8.380 nan 0.000 0.543 50 G N -2.317 106.544 108.800 0.102 0.000 2.179 50 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 50 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 50 G C 0.030 174.948 174.900 0.030 0.000 0.977 50 G CA 0.348 45.487 45.100 0.066 0.000 0.641 50 G HN 0.453 nan 8.290 nan 0.000 0.533 51 V N 0.370 120.286 119.914 0.003 0.000 2.540 51 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 51 V C 0.652 176.567 176.094 -0.299 0.000 1.035 51 V CA -0.603 61.542 62.300 -0.259 0.000 0.873 51 V CB 1.732 33.164 31.823 -0.651 0.000 0.992 51 V HN 0.521 nan 8.190 nan 0.000 0.428 52 C N 6.695 125.886 119.300 -0.180 0.000 2.322 52 C HA 0.507 4.966 4.460 -0.000 0.000 0.343 52 C C -0.357 174.641 174.990 0.013 0.000 1.190 52 C CA -0.832 58.205 59.018 0.032 0.000 1.704 52 C CB -1.381 26.466 27.740 0.178 0.000 2.293 52 C HN 0.825 nan 8.230 nan 0.000 0.523 53 W N 4.405 125.811 121.300 0.177 0.000 2.512 53 W HA 0.624 5.283 4.660 -0.000 0.000 0.335 53 W C 0.642 177.247 176.519 0.143 0.000 1.088 53 W CA -0.210 57.197 57.345 0.104 0.000 1.236 53 W CB 1.647 31.143 29.460 0.060 0.000 1.307 53 W HN 0.644 nan 8.180 nan 0.000 0.567 54 T N 0.091 114.852 114.554 0.346 0.000 2.645 54 T HA 0.517 4.867 4.350 -0.000 0.000 0.300 54 T C -1.183 173.605 174.700 0.147 0.000 1.210 54 T CA -0.665 61.611 62.100 0.293 0.000 1.034 54 T CB 0.422 69.564 68.868 0.457 0.000 1.537 54 T HN 0.366 nan 8.240 nan 0.000 0.492 55 V N 1.713 121.636 119.914 0.014 0.000 2.567 55 V HA 0.498 4.617 4.120 -0.000 0.000 0.289 55 V C 1.009 176.997 176.094 -0.176 0.000 1.049 55 V CA -0.465 61.742 62.300 -0.155 0.000 0.969 55 V CB 0.743 32.273 31.823 -0.488 0.000 0.995 55 V HN 0.918 nan 8.190 nan 0.000 0.471 56 Y N 3.859 124.064 120.300 -0.159 0.000 2.224 56 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 56 Y C 2.561 178.380 175.900 -0.134 0.000 1.146 56 Y CA 2.421 60.453 58.100 -0.113 0.000 1.182 56 Y CB -0.308 38.121 38.460 -0.052 0.000 0.983 56 Y HN 0.931 nan 8.280 nan 0.000 0.524 57 H N -2.499 116.499 119.070 -0.119 0.000 2.521 57 H HA 0.035 4.591 4.556 -0.000 0.000 0.286 57 H C 1.955 177.079 175.328 -0.339 0.000 1.034 57 H CA 1.146 57.068 56.048 -0.210 0.000 1.278 57 H CB -0.440 29.247 29.762 -0.126 0.000 1.386 57 H HN 0.449 nan 8.280 nan 0.000 0.567 58 G N 0.307 108.633 108.800 -0.790 0.000 2.556 58 G HA2 0.139 4.099 3.960 -0.000 0.000 0.209 58 G HA3 0.139 4.099 3.960 -0.000 0.000 0.209 58 G C 1.793 176.385 174.900 -0.512 0.000 1.159 58 G CA 0.506 45.018 45.100 -0.979 0.000 0.828 58 G HN 0.541 nan 8.290 nan 0.000 0.553 59 A N -0.147 122.517 122.820 -0.261 0.000 2.081 59 A HA 0.510 4.829 4.320 -0.000 0.000 0.214 59 A C 1.941 179.482 177.584 -0.071 0.000 1.158 59 A CA 1.442 53.554 52.037 0.125 0.000 0.724 59 A CB -0.669 18.553 19.000 0.370 0.000 0.826 59 A HN 1.619 nan 8.150 nan 0.000 0.463 60 G N -0.422 108.121 108.800 -0.428 0.000 2.596 60 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.295 60 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.295 60 G C 0.759 175.520 174.900 -0.232 0.000 1.240 60 G CA 0.490 45.175 45.100 -0.690 0.000 0.985 60 G HN 0.794 nan 8.290 nan 0.000 0.555 61 S N 1.244 116.935 115.700 -0.015 0.000 2.614 61 S HA 0.223 4.693 4.470 -0.000 0.000 0.230 61 S C 0.847 175.520 174.600 0.122 0.000 0.952 61 S CA 0.303 58.572 58.200 0.115 0.000 0.949 61 S CB 0.076 63.353 63.200 0.128 0.000 0.786 61 S HN 0.532 nan 8.310 nan 0.000 0.478 62 K N 3.025 123.515 120.400 0.151 0.000 2.382 62 K HA 0.125 4.445 4.320 -0.000 0.000 0.275 62 K C 0.809 177.634 176.600 0.374 0.000 1.009 62 K CA -0.004 56.408 56.287 0.210 0.000 0.970 62 K CB 0.358 32.976 32.500 0.197 0.000 0.934 62 K HN 0.295 nan 8.250 nan 0.000 0.479 63 T N -0.138 114.569 114.554 0.255 0.000 2.813 63 T HA 0.239 4.589 4.350 -0.000 0.000 0.297 63 T C -0.117 174.594 174.700 0.019 0.000 1.036 63 T CA -0.912 61.341 62.100 0.255 0.000 1.044 63 T CB 0.622 69.548 68.868 0.096 0.000 0.993 63 T HN 0.321 nan 8.240 nan 0.000 0.535 64 L N 1.629 122.626 121.223 -0.377 0.000 2.307 64 L HA 0.696 5.035 4.340 -0.000 0.000 0.284 64 L C 0.253 176.880 176.870 -0.404 0.000 1.023 64 L CA -0.722 53.643 54.840 -0.792 0.000 0.810 64 L CB 0.719 41.748 42.059 -1.718 0.000 1.231 64 L HN 1.011 nan 8.230 nan 0.000 0.423 65 A N 3.547 126.180 122.820 -0.311 0.000 2.520 65 A HA 0.562 4.882 4.320 -0.000 0.000 0.245 65 A C 0.412 177.881 177.584 -0.192 0.000 1.072 65 A CA 0.635 52.555 52.037 -0.195 0.000 0.761 65 A CB -0.670 18.236 19.000 -0.157 0.000 1.004 65 A HN 1.032 nan 8.150 nan 0.000 0.499 66 G N 1.255 109.975 108.800 -0.133 0.000 2.733 66 G HA2 0.646 4.606 3.960 -0.000 0.000 0.288 66 G HA3 0.646 4.606 3.960 -0.000 0.000 0.288 66 G C -2.105 172.752 174.900 -0.073 0.000 1.373 66 G CA -0.783 44.252 45.100 -0.109 0.000 0.895 66 G HN 0.333 nan 8.290 nan 0.000 0.479 67 P HA -0.009 nan 4.420 nan 0.000 0.222 67 P C 0.685 177.965 177.300 -0.035 0.000 1.147 67 P CA 1.032 64.106 63.100 -0.043 0.000 0.790 67 P CB 0.399 32.077 31.700 -0.037 0.000 0.780 68 K N -0.565 119.815 120.400 -0.033 0.000 2.438 68 K HA 0.444 4.763 4.320 -0.000 0.000 0.205 68 K C 1.011 177.596 176.600 -0.025 0.000 1.033 68 K CA 0.110 56.382 56.287 -0.025 0.000 1.089 68 K CB 1.020 33.508 32.500 -0.020 0.000 0.857 68 K HN 0.228 nan 8.250 nan 0.000 0.522 69 G N 2.149 110.929 108.800 -0.033 0.000 2.371 69 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.663 69 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.663 69 G C -3.142 171.734 174.900 -0.040 0.000 1.311 69 G CA -1.170 43.912 45.100 -0.031 0.000 0.985 69 G HN -0.148 nan 8.290 nan 0.000 0.566 70 P HA 0.395 nan 4.420 nan 0.000 0.268 70 P C -0.053 177.233 177.300 -0.022 0.000 1.205 70 P CA 0.106 63.181 63.100 -0.042 0.000 0.771 70 P CB 0.594 32.284 31.700 -0.017 0.000 0.858 71 I N 2.274 122.819 120.570 -0.042 0.000 2.342 71 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 71 I C 0.978 177.188 176.117 0.155 0.000 1.010 71 I CA -0.249 61.066 61.300 0.026 0.000 1.308 71 I CB 0.739 38.730 38.000 -0.014 0.000 1.400 71 I HN 0.174 nan 8.210 nan 0.000 0.488 72 T N 5.903 120.545 114.554 0.147 0.000 2.907 72 T HA 0.120 4.470 4.350 -0.000 0.000 0.298 72 T C 0.127 174.943 174.700 0.193 0.000 1.017 72 T CA -0.487 61.714 62.100 0.167 0.000 1.118 72 T CB 0.547 69.468 68.868 0.089 0.000 0.948 72 T HN 0.499 nan 8.240 nan 0.000 0.531 73 Q N 1.900 121.772 119.800 0.120 0.000 2.304 73 Q HA 0.010 4.350 4.340 -0.000 0.000 0.301 73 Q C 1.001 176.880 176.000 -0.201 0.000 1.063 73 Q CA -0.118 55.576 55.803 -0.182 0.000 0.947 73 Q CB 0.372 28.923 28.738 -0.312 0.000 1.201 73 Q HN 0.563 nan 8.270 nan 0.000 0.389 74 M N 2.835 122.231 119.600 -0.341 0.000 2.334 74 M HA 0.020 4.500 4.480 -0.000 0.000 0.266 74 M C -0.947 174.831 176.300 -0.871 0.000 1.082 74 M CA 1.388 56.328 55.300 -0.601 0.000 1.141 74 M CB 0.626 32.770 32.600 -0.760 0.000 1.380 74 M HN 0.522 nan 8.290 nan 0.000 0.440 75 Y N -1.254 118.898 120.300 -0.248 0.000 2.457 75 Y HA 0.574 5.124 4.550 -0.000 0.000 0.343 75 Y C -0.741 175.067 175.900 -0.154 0.000 0.994 75 Y CA -1.410 56.585 58.100 -0.174 0.000 1.031 75 Y CB 1.838 40.256 38.460 -0.070 0.000 1.246 75 Y HN -0.227 nan 8.280 nan 0.000 0.449 76 T N 2.555 117.132 114.554 0.038 0.000 3.066 76 T HA 0.209 4.559 4.350 -0.000 0.000 0.318 76 T C -1.296 173.371 174.700 -0.055 0.000 0.979 76 T CA -0.835 61.252 62.100 -0.022 0.000 1.025 76 T CB 0.405 69.238 68.868 -0.059 0.000 1.002 76 T HN 0.474 nan 8.240 nan 0.000 0.453 77 N N 3.224 121.894 118.700 -0.050 0.000 2.696 77 N HA 0.255 4.995 4.740 -0.000 0.000 0.246 77 N C 0.935 176.340 175.510 -0.175 0.000 1.057 77 N CA -0.504 52.487 53.050 -0.099 0.000 0.867 77 N CB 1.078 39.534 38.487 -0.051 0.000 1.141 77 N HN 0.267 nan 8.380 nan 0.000 0.517 78 V N 1.932 121.656 119.914 -0.317 0.000 2.427 78 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 78 V C 1.420 177.394 176.094 -0.200 0.000 1.051 78 V CA 1.421 63.460 62.300 -0.435 0.000 1.048 78 V CB -0.225 31.239 31.823 -0.598 0.000 0.666 78 V HN 0.537 nan 8.190 nan 0.000 0.456 79 D N -0.131 120.179 120.400 -0.151 0.000 2.158 79 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 79 D C 2.121 178.373 176.300 -0.081 0.000 0.995 79 D CA 1.180 55.121 54.000 -0.099 0.000 0.846 79 D CB -0.139 40.608 40.800 -0.089 0.000 0.941 79 D HN 0.398 nan 8.370 nan 0.000 0.456 80 Q N 0.162 119.912 119.800 -0.083 0.000 2.319 80 Q HA 0.007 4.346 4.340 -0.000 0.000 0.202 80 Q C -0.228 175.747 176.000 -0.041 0.000 0.896 80 Q CA 0.031 55.790 55.803 -0.072 0.000 0.942 80 Q CB 0.528 29.211 28.738 -0.091 0.000 1.083 80 Q HN 0.166 nan 8.270 nan 0.000 0.510 81 D N 0.153 120.542 120.400 -0.017 0.000 2.723 81 D HA -0.198 4.442 4.640 -0.000 0.000 0.236 81 D C -1.328 175.012 176.300 0.066 0.000 1.138 81 D CA 0.340 54.378 54.000 0.063 0.000 0.676 81 D CB -1.050 39.804 40.800 0.090 0.000 1.069 81 D HN 0.174 nan 8.370 nan 0.000 0.430 82 L N 0.093 121.348 121.223 0.053 0.000 2.410 82 L HA 0.742 5.082 4.340 -0.000 0.000 0.270 82 L C -0.809 176.146 176.870 0.142 0.000 0.983 82 L CA -0.807 54.086 54.840 0.088 0.000 0.822 82 L CB 2.081 44.148 42.059 0.013 0.000 1.285 82 L HN 0.047 nan 8.230 nan 0.000 0.409 83 V N 1.064 121.066 119.914 0.147 0.000 3.040 83 V HA 1.104 5.224 4.120 -0.000 0.000 0.312 83 V C -0.339 175.693 176.094 -0.104 0.000 1.115 83 V CA -0.038 62.255 62.300 -0.012 0.000 0.998 83 V CB 1.572 33.261 31.823 -0.224 0.000 1.042 83 V HN 1.025 nan 8.190 nan 0.000 0.433 84 G N 1.318 109.866 108.800 -0.420 0.000 2.719 84 G HA2 0.606 4.566 3.960 -0.000 0.000 0.298 84 G HA3 0.606 4.566 3.960 -0.000 0.000 0.298 84 G C -1.683 172.827 174.900 -0.650 0.000 1.411 84 G CA -0.569 44.112 45.100 -0.699 0.000 0.991 84 G HN 0.740 nan 8.290 nan 0.000 0.509 85 W N 1.079 122.230 121.300 -0.249 0.000 2.573 85 W HA 0.405 5.065 4.660 -0.000 0.000 0.326 85 W C 0.018 176.414 176.519 -0.206 0.000 1.049 85 W CA -1.061 56.172 57.345 -0.186 0.000 1.220 85 W CB 2.031 31.422 29.460 -0.115 0.000 1.373 85 W HN 0.518 nan 8.180 nan 0.000 0.507 86 Q N 2.236 122.064 119.800 0.046 0.000 2.264 86 Q HA 0.227 4.567 4.340 -0.000 0.000 0.296 86 Q C 0.116 176.134 176.000 0.031 0.000 1.103 86 Q CA 0.318 56.125 55.803 0.007 0.000 0.967 86 Q CB 0.537 29.274 28.738 -0.001 0.000 1.090 86 Q HN 0.394 nan 8.270 nan 0.000 0.379 87 A N 7.149 129.975 122.820 0.011 0.000 2.546 87 A HA 0.294 4.614 4.320 -0.000 0.000 0.243 87 A C -1.934 175.651 177.584 0.002 0.000 1.063 87 A CA -0.864 51.181 52.037 0.013 0.000 0.757 87 A CB -0.528 18.481 19.000 0.015 0.000 0.991 87 A HN 0.775 nan 8.150 nan 0.000 0.503 88 P HA 0.268 nan 4.420 nan 0.000 0.274 88 P C -2.643 174.647 177.300 -0.017 0.000 1.237 88 P CA -1.306 61.778 63.100 -0.026 0.000 0.793 88 P CB -0.267 31.401 31.700 -0.053 0.000 0.977 89 P HA -0.003 nan 4.420 nan 0.000 0.267 89 P C 0.951 178.245 177.300 -0.011 0.000 1.200 89 P CA 0.938 64.032 63.100 -0.010 0.000 0.772 89 P CB -0.027 31.666 31.700 -0.011 0.000 0.855 90 G N 0.729 109.526 108.800 -0.005 0.000 2.225 90 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.254 90 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.254 90 G C 0.378 175.276 174.900 -0.003 0.000 0.988 90 G CA 0.143 45.240 45.100 -0.005 0.000 0.625 90 G HN 0.904 nan 8.290 nan 0.000 0.527 91 A N 0.625 123.445 122.820 -0.001 0.000 2.409 91 A HA 0.731 5.051 4.320 -0.000 0.000 0.262 91 A C 0.717 178.309 177.584 0.015 0.000 1.113 91 A CA 0.042 52.081 52.037 0.005 0.000 0.790 91 A CB 0.328 19.332 19.000 0.007 0.000 1.046 91 A HN 0.483 nan 8.150 nan 0.000 0.496 92 R N 1.253 121.763 120.500 0.017 0.000 2.500 92 R HA 0.562 4.902 4.340 -0.000 0.000 0.277 92 R C -0.558 175.766 176.300 0.041 0.000 1.026 92 R CA -0.218 55.898 56.100 0.026 0.000 1.058 92 R CB 1.432 31.744 30.300 0.020 0.000 1.078 92 R HN 0.732 nan 8.270 nan 0.000 0.509 93 S N 1.799 117.529 115.700 0.050 0.000 2.513 93 S HA 0.409 4.879 4.470 -0.000 0.000 0.299 93 S C -0.103 174.539 174.600 0.071 0.000 1.087 93 S CA -0.804 57.438 58.200 0.071 0.000 1.012 93 S CB 1.324 64.572 63.200 0.080 0.000 1.044 93 S HN 0.336 nan 8.310 nan 0.000 0.485 94 L N 2.273 123.547 121.223 0.085 0.000 2.472 94 L HA 0.338 4.678 4.340 -0.000 0.000 0.260 94 L C 0.740 177.651 176.870 0.068 0.000 1.209 94 L CA -0.248 54.643 54.840 0.086 0.000 0.817 94 L CB 0.356 42.470 42.059 0.092 0.000 1.106 94 L HN 0.680 nan 8.230 nan 0.000 0.479 95 T N -0.882 113.701 114.554 0.048 0.000 2.855 95 T HA 0.448 4.798 4.350 -0.000 0.000 0.281 95 T C -2.601 172.064 174.700 -0.059 0.000 1.007 95 T CA -2.336 59.742 62.100 -0.037 0.000 1.009 95 T CB 1.425 70.211 68.868 -0.136 0.000 0.983 95 T HN 0.225 nan 8.240 nan 0.000 0.455 96 P HA 0.090 nan 4.420 nan 0.000 0.262 96 P C 0.340 177.605 177.300 -0.059 0.000 1.182 96 P CA -0.597 62.480 63.100 -0.039 0.000 0.761 96 P CB 0.040 31.717 31.700 -0.039 0.000 0.795 97 C N 4.128 123.444 119.300 0.027 0.000 2.634 97 C HA 0.143 4.603 4.460 -0.000 0.000 0.418 97 C C 1.696 176.709 174.990 0.039 0.000 1.373 97 C CA 1.004 60.074 59.018 0.087 0.000 1.756 97 C CB -1.269 26.533 27.740 0.104 0.000 2.589 97 C HN 0.781 nan 8.230 nan 0.000 0.602 98 T N 1.187 115.772 114.554 0.053 0.000 3.003 98 T HA 0.018 4.367 4.350 -0.000 0.000 0.261 98 T C 1.393 176.123 174.700 0.050 0.000 1.003 98 T CA 0.634 62.751 62.100 0.028 0.000 0.917 98 T CB -0.745 68.120 68.868 -0.006 0.000 1.084 98 T HN 0.977 nan 8.240 nan 0.000 0.522 99 C N 1.192 120.540 119.300 0.081 0.000 2.467 99 C HA 0.611 5.071 4.460 -0.000 0.000 0.279 99 C C 2.390 177.409 174.990 0.047 0.000 1.347 99 C CA 0.085 59.142 59.018 0.066 0.000 1.748 99 C CB -1.340 26.446 27.740 0.078 0.000 1.977 99 C HN 0.871 nan 8.230 nan 0.000 0.501 100 G N 0.989 109.818 108.800 0.048 0.000 2.137 100 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.237 100 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.237 100 G C 0.156 175.077 174.900 0.035 0.000 1.002 100 G CA 0.583 45.706 45.100 0.038 0.000 0.702 100 G HN 1.070 nan 8.290 nan 0.000 0.515 101 S N -0.479 115.244 115.700 0.038 0.000 2.549 101 S HA 0.489 4.959 4.470 -0.000 0.000 0.286 101 S C 1.500 176.112 174.600 0.020 0.000 1.314 101 S CA 0.795 59.014 58.200 0.031 0.000 1.062 101 S CB 0.807 64.031 63.200 0.039 0.000 0.865 101 S HN 0.613 nan 8.310 nan 0.000 0.498 102 S N 2.609 118.315 115.700 0.010 0.000 2.540 102 S HA 0.159 4.629 4.470 -0.000 0.000 0.218 102 S C -0.598 173.976 174.600 -0.043 0.000 0.977 102 S CA -0.365 57.833 58.200 -0.003 0.000 0.918 102 S CB 0.018 63.221 63.200 0.005 0.000 0.806 102 S HN 0.704 nan 8.310 nan 0.000 0.496 103 D N 2.544 122.917 120.400 -0.045 0.000 2.456 103 D HA 0.356 4.996 4.640 -0.000 0.000 0.219 103 D C -0.294 175.887 176.300 -0.197 0.000 1.126 103 D CA 0.069 53.998 54.000 -0.118 0.000 0.890 103 D CB 0.611 41.401 40.800 -0.017 0.000 1.025 103 D HN 0.249 nan 8.370 nan 0.000 0.511 104 L N 1.505 122.509 121.223 -0.366 0.000 2.332 104 L HA 0.542 4.881 4.340 -0.000 0.000 0.269 104 L C -0.680 175.781 176.870 -0.683 0.000 1.016 104 L CA -1.133 53.508 54.840 -0.331 0.000 0.809 104 L CB 1.097 43.012 42.059 -0.239 0.000 1.280 104 L HN 0.199 nan 8.230 nan 0.000 0.447 105 Y N 1.142 121.389 120.300 -0.089 0.000 2.373 105 Y HA 0.492 5.042 4.550 -0.000 0.000 0.336 105 Y C -0.470 175.372 175.900 -0.096 0.000 0.979 105 Y CA -0.501 57.554 58.100 -0.075 0.000 1.080 105 Y CB 2.124 40.552 38.460 -0.054 0.000 1.190 105 Y HN 0.342 nan 8.280 nan 0.000 0.446 106 L N 4.201 125.424 121.223 -0.001 0.000 2.295 106 L HA 0.770 5.110 4.340 -0.000 0.000 0.285 106 L C -1.252 175.600 176.870 -0.029 0.000 1.035 106 L CA -0.854 53.943 54.840 -0.071 0.000 0.806 106 L CB 0.855 42.797 42.059 -0.194 0.000 1.214 106 L HN 0.474 nan 8.230 nan 0.000 0.426 107 V N 3.756 123.653 119.914 -0.028 0.000 2.370 107 V HA 0.376 4.496 4.120 -0.000 0.000 0.279 107 V C 0.572 176.641 176.094 -0.041 0.000 1.029 107 V CA -0.375 61.916 62.300 -0.015 0.000 0.870 107 V CB 1.318 33.138 31.823 -0.004 0.000 0.984 107 V HN 0.912 nan 8.190 nan 0.000 0.451 108 T N 2.000 116.521 114.554 -0.055 0.000 2.912 108 T HA 0.372 4.722 4.350 -0.000 0.000 0.280 108 T C 1.124 175.755 174.700 -0.115 0.000 0.989 108 T CA -0.511 61.526 62.100 -0.105 0.000 0.995 108 T CB 1.076 69.845 68.868 -0.166 0.000 1.077 108 T HN 0.725 nan 8.240 nan 0.000 0.531 109 R N -0.327 120.046 120.500 -0.211 0.000 2.285 109 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 109 R C 0.902 177.027 176.300 -0.291 0.000 1.068 109 R CA 1.394 57.341 56.100 -0.254 0.000 1.004 109 R CB -0.880 29.235 30.300 -0.308 0.000 0.873 109 R HN 0.843 nan 8.270 nan 0.000 0.467 110 H N 0.119 119.157 119.070 -0.053 0.000 2.519 110 H HA 0.445 5.001 4.556 -0.000 0.000 0.289 110 H C 0.528 175.853 175.328 -0.005 0.000 1.040 110 H CA 0.176 56.204 56.048 -0.032 0.000 1.165 110 H CB 0.927 30.655 29.762 -0.057 0.000 1.462 110 H HN 0.412 nan 8.280 nan 0.000 0.555 111 A N 0.557 123.408 122.820 0.053 0.000 2.847 111 A HA -0.235 4.085 4.320 -0.000 0.000 0.263 111 A C -0.154 177.473 177.584 0.071 0.000 1.391 111 A CA 0.812 52.878 52.037 0.048 0.000 0.866 111 A CB -1.853 17.189 19.000 0.069 0.000 1.057 111 A HN 0.449 nan 8.150 nan 0.000 0.673 112 D N -0.644 119.805 120.400 0.081 0.000 2.341 112 D HA 0.472 5.112 4.640 -0.000 0.000 0.245 112 D C 0.100 176.446 176.300 0.078 0.000 1.106 112 D CA 0.225 54.287 54.000 0.105 0.000 0.905 112 D CB 1.393 42.295 40.800 0.170 0.000 1.202 112 D HN 0.259 nan 8.370 nan 0.000 0.426 113 V N 3.591 123.558 119.914 0.089 0.000 2.378 113 V HA 0.277 4.396 4.120 -0.000 0.000 0.288 113 V C -0.210 175.965 176.094 0.133 0.000 1.016 113 V CA -0.732 61.623 62.300 0.090 0.000 0.840 113 V CB 1.426 33.285 31.823 0.059 0.000 0.994 113 V HN 0.331 nan 8.190 nan 0.000 0.431 114 I N 6.896 127.541 120.570 0.125 0.000 2.389 114 I HA 0.441 4.611 4.170 -0.000 0.000 0.288 114 I C -2.516 173.625 176.117 0.040 0.000 0.999 114 I CA -2.963 58.395 61.300 0.095 0.000 1.129 114 I CB 2.026 40.069 38.000 0.072 0.000 1.288 114 I HN 0.361 nan 8.210 nan 0.000 0.444 115 P HA 0.132 nan 4.420 nan 0.000 0.263 115 P C -0.581 176.585 177.300 -0.224 0.000 1.195 115 P CA 0.139 63.113 63.100 -0.210 0.000 0.762 115 P CB 0.633 32.280 31.700 -0.088 0.000 0.799 116 V N 4.665 124.376 119.914 -0.339 0.000 2.638 116 V HA 0.449 4.569 4.120 -0.000 0.000 0.306 116 V C 0.099 176.070 176.094 -0.205 0.000 1.052 116 V CA -0.789 61.389 62.300 -0.204 0.000 0.885 116 V CB 2.249 33.977 31.823 -0.157 0.000 0.999 116 V HN 0.329 nan 8.190 nan 0.000 0.424 117 R N 3.801 124.234 120.500 -0.111 0.000 2.198 117 R HA 0.401 4.741 4.340 -0.000 0.000 0.339 117 R C -0.019 176.272 176.300 -0.015 0.000 1.020 117 R CA -0.382 55.672 56.100 -0.076 0.000 0.864 117 R CB 0.445 30.713 30.300 -0.053 0.000 1.105 117 R HN 0.732 nan 8.270 nan 0.000 0.463 118 R N 3.474 123.973 120.500 -0.002 0.000 2.484 118 R HA 0.068 4.408 4.340 -0.000 0.000 0.293 118 R C -0.170 176.168 176.300 0.063 0.000 1.023 118 R CA 0.329 56.473 56.100 0.074 0.000 1.037 118 R CB 0.541 30.891 30.300 0.084 0.000 0.951 118 R HN 0.650 nan 8.270 nan 0.000 0.418 119 R N 2.838 123.385 120.500 0.078 0.000 2.565 119 R HA 0.248 4.588 4.340 -0.000 0.000 0.347 119 R C 0.083 176.400 176.300 0.028 0.000 1.010 119 R CA 0.233 56.357 56.100 0.041 0.000 1.126 119 R CB 1.662 31.980 30.300 0.030 0.000 1.331 119 R HN 0.883 nan 8.270 nan 0.000 0.552 120 G N -0.097 108.727 108.800 0.039 0.000 2.323 120 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.291 120 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.291 120 G C -0.590 174.309 174.900 -0.001 0.000 1.278 120 G CA -0.563 44.539 45.100 0.002 0.000 0.860 120 G HN -0.114 nan 8.290 nan 0.000 0.504 121 D N -0.136 120.231 120.400 -0.056 0.000 2.178 121 D HA -0.059 4.580 4.640 -0.000 0.000 0.202 121 D C 2.048 178.193 176.300 -0.257 0.000 0.974 121 D CA 2.045 56.001 54.000 -0.074 0.000 0.841 121 D CB 0.159 40.910 40.800 -0.081 0.000 0.953 121 D HN 0.530 nan 8.370 nan 0.000 0.478 122 S N -0.988 114.430 115.700 -0.470 0.000 3.009 122 S HA 0.252 4.722 4.470 -0.000 0.000 0.254 122 S C 0.446 174.451 174.600 -0.992 0.000 1.004 122 S CA -0.675 56.900 58.200 -1.042 0.000 1.119 122 S CB 1.134 63.998 63.200 -0.561 0.000 1.075 122 S HN -0.100 nan 8.310 nan 0.000 0.618 123 R N 0.710 120.946 120.500 -0.440 0.000 2.744 123 R HA 0.788 5.128 4.340 -0.000 0.000 0.279 123 R C -0.518 175.916 176.300 0.225 0.000 0.977 123 R CA -0.218 55.846 56.100 -0.060 0.000 0.906 123 R CB 1.857 32.131 30.300 -0.043 0.000 1.197 123 R HN 0.350 nan 8.270 nan 0.000 0.463 124 G N 0.238 109.196 108.800 0.264 0.000 2.701 124 G HA2 0.351 4.311 3.960 -0.000 0.000 0.300 124 G HA3 0.351 4.311 3.960 -0.000 0.000 0.300 124 G C -0.926 174.033 174.900 0.099 0.000 1.410 124 G CA -0.481 44.733 45.100 0.189 0.000 1.014 124 G HN 0.485 nan 8.290 nan 0.000 0.509 125 S N 1.547 117.274 115.700 0.046 0.000 2.537 125 S HA 0.576 5.046 4.470 -0.000 0.000 0.275 125 S C 0.245 174.843 174.600 -0.003 0.000 1.272 125 S CA -0.696 57.517 58.200 0.021 0.000 1.050 125 S CB 1.306 64.510 63.200 0.007 0.000 0.961 125 S HN 0.523 nan 8.310 nan 0.000 0.496 126 L N 2.958 124.181 121.223 -0.000 0.000 2.426 126 L HA 0.153 4.493 4.340 -0.000 0.000 0.271 126 L C 0.961 177.814 176.870 -0.028 0.000 1.169 126 L CA -0.710 54.118 54.840 -0.020 0.000 0.836 126 L CB 0.400 42.455 42.059 -0.007 0.000 1.112 126 L HN 0.661 nan 8.230 nan 0.000 0.465 127 L N 1.449 122.647 121.223 -0.041 0.000 2.109 127 L HA -0.013 4.326 4.340 -0.000 0.000 0.207 127 L C 0.798 177.649 176.870 -0.032 0.000 1.086 127 L CA 1.284 56.102 54.840 -0.037 0.000 0.760 127 L CB -0.227 41.807 42.059 -0.042 0.000 0.910 127 L HN 0.498 nan 8.230 nan 0.000 0.437 128 S N -0.128 115.550 115.700 -0.037 0.000 2.669 128 S HA 0.442 4.912 4.470 -0.000 0.000 0.315 128 S C -2.382 172.186 174.600 -0.053 0.000 1.106 128 S CA -1.149 57.023 58.200 -0.046 0.000 1.107 128 S CB 1.311 64.476 63.200 -0.058 0.000 0.990 128 S HN -0.092 nan 8.310 nan 0.000 0.471 129 P HA 0.208 nan 4.420 nan 0.000 0.267 129 P C -0.364 176.901 177.300 -0.058 0.000 1.200 129 P CA -0.162 62.918 63.100 -0.033 0.000 0.772 129 P CB 0.511 32.196 31.700 -0.024 0.000 0.855 130 R N 2.542 123.018 120.500 -0.041 0.000 2.771 130 R HA 0.481 4.821 4.340 -0.000 0.000 0.274 130 R C -2.785 173.522 176.300 0.012 0.000 0.987 130 R CA -2.631 53.424 56.100 -0.075 0.000 0.908 130 R CB 0.349 30.553 30.300 -0.159 0.000 1.213 130 R HN 0.211 nan 8.270 nan 0.000 0.468 131 P HA -0.061 nan 4.420 nan 0.000 0.262 131 P C 1.118 178.500 177.300 0.137 0.000 1.182 131 P CA 0.096 63.237 63.100 0.068 0.000 0.761 131 P CB 0.649 32.389 31.700 0.066 0.000 0.795 132 V N 3.637 123.624 119.914 0.122 0.000 2.469 132 V HA -0.273 3.846 4.120 -0.000 0.000 0.251 132 V C 2.052 178.253 176.094 0.178 0.000 1.064 132 V CA 2.807 65.199 62.300 0.153 0.000 1.066 132 V CB -1.133 30.761 31.823 0.118 0.000 0.667 132 V HN 0.740 nan 8.190 nan 0.000 0.461 133 S N -0.925 114.869 115.700 0.157 0.000 2.402 133 S HA -0.355 4.115 4.470 -0.000 0.000 0.233 133 S C 1.927 176.651 174.600 0.206 0.000 1.030 133 S CA 2.042 60.337 58.200 0.158 0.000 1.003 133 S CB -1.069 62.209 63.200 0.131 0.000 0.813 133 S HN 0.816 nan 8.310 nan 0.000 0.477 134 Y N 1.830 122.192 120.300 0.102 0.000 2.274 134 Y HA 0.080 4.630 4.550 -0.000 0.000 0.290 134 Y C 1.826 177.820 175.900 0.156 0.000 1.145 134 Y CA 1.457 59.627 58.100 0.116 0.000 1.203 134 Y CB -0.103 38.402 38.460 0.075 0.000 0.984 134 Y HN 0.251 nan 8.280 nan 0.000 0.533 135 L N 0.008 121.328 121.223 0.162 0.000 2.585 135 L HA 0.089 4.429 4.340 -0.000 0.000 0.226 135 L C 0.510 177.495 176.870 0.192 0.000 1.113 135 L CA 0.024 54.940 54.840 0.127 0.000 0.876 135 L CB -0.074 42.149 42.059 0.274 0.000 1.072 135 L HN -0.101 nan 8.230 nan 0.000 0.468 136 K N 0.632 121.127 120.400 0.158 0.000 2.326 136 K HA 0.288 4.608 4.320 -0.000 0.000 0.275 136 K C 1.074 177.741 176.600 0.112 0.000 1.018 136 K CA 0.668 57.044 56.287 0.149 0.000 0.962 136 K CB 0.672 33.248 32.500 0.127 0.000 0.953 136 K HN 0.167 nan 8.250 nan 0.000 0.475 137 G N 1.230 110.110 108.800 0.133 0.000 2.176 137 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.253 137 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.253 137 G C 0.714 175.686 174.900 0.120 0.000 0.979 137 G CA 0.464 45.637 45.100 0.122 0.000 0.641 137 G HN 0.548 nan 8.290 nan 0.000 0.530 138 S N 0.100 115.908 115.700 0.181 0.000 2.540 138 S HA 0.336 4.806 4.470 -0.000 0.000 0.218 138 S C 1.414 176.261 174.600 0.412 0.000 0.977 138 S CA 0.658 58.996 58.200 0.230 0.000 0.918 138 S CB 0.243 63.544 63.200 0.168 0.000 0.806 138 S HN 1.455 nan 8.310 nan 0.000 0.496 139 S N 0.949 116.840 115.700 0.318 0.000 2.558 139 S HA 0.425 4.895 4.470 -0.000 0.000 0.288 139 S C 1.356 176.096 174.600 0.233 0.000 1.318 139 S CA 0.411 58.712 58.200 0.168 0.000 1.056 139 S CB 0.566 63.757 63.200 -0.014 0.000 0.853 139 S HN 0.726 nan 8.310 nan 0.000 0.505 140 G N 1.972 110.898 108.800 0.210 0.000 2.195 140 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.246 140 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.246 140 G C 0.490 175.528 174.900 0.229 0.000 0.984 140 G CA -0.060 45.184 45.100 0.238 0.000 0.633 140 G HN 1.474 nan 8.290 nan 0.000 0.525 141 G N 0.942 109.889 108.800 0.246 0.000 2.503 141 G HA2 0.616 4.575 3.960 -0.000 0.000 0.257 141 G HA3 0.616 4.575 3.960 -0.000 0.000 0.257 141 G C -1.900 173.089 174.900 0.148 0.000 1.214 141 G CA -0.449 44.754 45.100 0.171 0.000 0.839 141 G HN 0.285 nan 8.290 nan 0.000 0.559 142 P HA 0.195 nan 4.420 nan 0.000 0.279 142 P C -0.600 176.694 177.300 -0.010 0.000 1.239 142 P CA -0.462 62.666 63.100 0.046 0.000 0.789 142 P CB 1.600 33.325 31.700 0.041 0.000 0.933 143 L N 4.115 125.288 121.223 -0.084 0.000 2.264 143 L HA 0.395 4.735 4.340 -0.000 0.000 0.289 143 L C 0.529 177.334 176.870 -0.108 0.000 1.044 143 L CA -0.313 54.418 54.840 -0.181 0.000 0.807 143 L CB 0.335 42.101 42.059 -0.487 0.000 1.192 143 L HN 0.346 nan 8.230 nan 0.000 0.425 144 L N 3.317 124.525 121.223 -0.024 0.000 2.331 144 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 144 L C 0.512 177.428 176.870 0.076 0.000 1.022 144 L CA -0.718 54.142 54.840 0.032 0.000 0.812 144 L CB 2.049 44.138 42.059 0.049 0.000 1.257 144 L HN 0.698 nan 8.230 nan 0.000 0.435 145 C N 0.295 119.632 119.300 0.062 0.000 2.396 145 C HA 0.445 4.905 4.460 -0.000 0.000 0.359 145 C C -1.198 173.843 174.990 0.085 0.000 1.307 145 C CA -1.351 57.715 59.018 0.080 0.000 2.392 145 C CB 0.919 28.692 27.740 0.055 0.000 2.245 145 C HN 0.656 nan 8.230 nan 0.000 0.615 146 P HA -0.057 nan 4.420 nan 0.000 0.220 146 P C 1.351 178.588 177.300 -0.105 0.000 1.144 146 P CA 1.583 64.703 63.100 0.032 0.000 0.800 146 P CB -0.076 31.662 31.700 0.063 0.000 0.772 147 S N -1.816 113.778 115.700 -0.177 0.000 2.593 147 S HA 0.272 4.742 4.470 -0.000 0.000 0.217 147 S C 1.520 175.846 174.600 -0.457 0.000 0.966 147 S CA 0.597 58.577 58.200 -0.368 0.000 0.914 147 S CB -0.718 62.127 63.200 -0.591 0.000 0.776 147 S HN 0.327 nan 8.310 nan 0.000 0.523 148 G N 1.600 110.249 108.800 -0.252 0.000 2.143 148 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 148 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 148 G C -0.219 174.656 174.900 -0.043 0.000 0.991 148 G CA -0.034 44.983 45.100 -0.139 0.000 0.689 148 G HN 0.653 nan 8.290 nan 0.000 0.522 149 H N 0.046 119.122 119.070 0.009 0.000 2.481 149 H HA 0.608 5.164 4.556 -0.000 0.000 0.339 149 H C 0.761 176.091 175.328 0.004 0.000 1.131 149 H CA -0.473 55.581 56.048 0.009 0.000 1.301 149 H CB 1.427 31.195 29.762 0.010 0.000 1.476 149 H HN 0.469 nan 8.280 nan 0.000 0.529 150 A N 2.436 125.339 122.820 0.137 0.000 2.451 150 A HA 0.167 4.487 4.320 -0.000 0.000 0.266 150 A C 0.851 178.451 177.584 0.027 0.000 1.119 150 A CA -0.416 51.656 52.037 0.058 0.000 0.786 150 A CB 0.076 19.106 19.000 0.049 0.000 1.061 150 A HN 0.624 nan 8.150 nan 0.000 0.503 151 V N 2.581 122.481 119.914 -0.023 0.000 3.125 151 V HA 0.410 4.530 4.120 -0.000 0.000 0.249 151 V C 1.326 177.400 176.094 -0.034 0.000 1.113 151 V CA 1.425 63.697 62.300 -0.047 0.000 1.106 151 V CB -0.508 31.239 31.823 -0.126 0.000 0.768 151 V HN 1.325 nan 8.190 nan 0.000 0.468 152 G N 0.155 108.915 108.800 -0.068 0.000 2.315 152 G HA2 0.438 4.398 3.960 -0.000 0.000 0.294 152 G HA3 0.438 4.398 3.960 -0.000 0.000 0.294 152 G C -1.811 173.110 174.900 0.035 0.000 1.300 152 G CA -0.267 44.861 45.100 0.047 0.000 0.843 152 G HN 0.325 nan 8.290 nan 0.000 0.527 153 I N -2.616 118.036 120.570 0.137 0.000 2.545 153 I HA 0.795 4.965 4.170 -0.000 0.000 0.292 153 I C -0.605 175.685 176.117 0.289 0.000 1.040 153 I CA -1.219 60.183 61.300 0.170 0.000 1.068 153 I CB 2.154 40.239 38.000 0.141 0.000 1.251 153 I HN 0.426 nan 8.210 nan 0.000 0.424 154 F N 6.272 126.299 119.950 0.129 0.000 2.578 154 F HA 0.308 4.834 4.527 -0.000 0.000 0.376 154 F C 1.205 177.100 175.800 0.158 0.000 1.085 154 F CA -0.120 57.974 58.000 0.158 0.000 1.260 154 F CB 0.683 39.747 39.000 0.107 0.000 1.095 154 F HN 0.758 nan 8.300 nan 0.000 0.573 155 R N 3.465 123.758 120.500 -0.345 0.000 2.492 155 R HA 0.724 5.063 4.340 -0.000 0.000 0.219 155 R C -0.735 175.286 176.300 -0.465 0.000 0.886 155 R CA 0.268 56.195 56.100 -0.289 0.000 1.003 155 R CB 0.350 30.630 30.300 -0.032 0.000 1.345 155 R HN 0.548 nan 8.270 nan 0.000 0.631 156 A N 0.829 123.270 122.820 -0.632 0.000 2.604 156 A HA 0.783 5.103 4.320 -0.000 0.000 0.295 156 A C -1.667 175.850 177.584 -0.111 0.000 1.067 156 A CA -0.493 51.324 52.037 -0.366 0.000 0.683 156 A CB 1.628 20.517 19.000 -0.184 0.000 1.281 156 A HN 0.317 nan 8.150 nan 0.000 0.407 157 A N 0.618 123.472 122.820 0.056 0.000 2.317 157 A HA 0.665 4.984 4.320 -0.000 0.000 0.327 157 A C -0.523 177.121 177.584 0.101 0.000 1.178 157 A CA -0.452 51.712 52.037 0.212 0.000 0.817 157 A CB 0.808 19.973 19.000 0.274 0.000 1.189 157 A HN 1.422 nan 8.150 nan 0.000 0.489 158 V N 2.103 122.073 119.914 0.093 0.000 2.385 158 V HA 0.265 4.385 4.120 -0.000 0.000 0.269 158 V C -0.103 175.997 176.094 0.010 0.000 1.043 158 V CA -0.373 61.946 62.300 0.032 0.000 0.906 158 V CB 0.108 31.947 31.823 0.027 0.000 0.995 158 V HN 0.947 nan 8.190 nan 0.000 0.467 159 C N 3.512 122.791 119.300 -0.036 0.000 2.435 159 C HA 0.680 5.140 4.460 -0.000 0.000 0.333 159 C C 0.657 175.585 174.990 -0.104 0.000 1.202 159 C CA -0.488 58.500 59.018 -0.050 0.000 1.830 159 C CB 1.664 29.379 27.740 -0.042 0.000 2.326 159 C HN 0.833 nan 8.230 nan 0.000 0.507 160 T N 2.543 117.050 114.554 -0.078 0.000 2.788 160 T HA 0.366 4.716 4.350 -0.000 0.000 0.296 160 T C 0.213 174.864 174.700 -0.081 0.000 1.009 160 T CA -0.429 61.615 62.100 -0.094 0.000 0.949 160 T CB 0.355 69.184 68.868 -0.065 0.000 0.946 160 T HN 0.748 nan 8.240 nan 0.000 0.453 161 R N 2.172 122.606 120.500 -0.110 0.000 3.405 161 R HA -0.243 4.097 4.340 -0.000 0.000 0.258 161 R C 1.238 177.516 176.300 -0.037 0.000 1.030 161 R CA 0.712 56.768 56.100 -0.073 0.000 0.691 161 R CB -2.038 28.233 30.300 -0.048 0.000 1.093 161 R HN 1.213 nan 8.270 nan 0.000 0.448 162 G N -1.846 106.930 108.800 -0.039 0.000 2.179 162 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 162 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 162 G C 0.141 175.051 174.900 0.016 0.000 0.977 162 G CA 0.037 45.140 45.100 0.005 0.000 0.641 162 G HN 0.286 nan 8.290 nan 0.000 0.533 163 V N 1.322 121.236 119.914 -0.001 0.000 2.370 163 V HA 0.742 4.862 4.120 -0.000 0.000 0.279 163 V C 0.823 176.925 176.094 0.014 0.000 1.029 163 V CA -0.374 61.931 62.300 0.009 0.000 0.870 163 V CB 1.435 33.254 31.823 -0.006 0.000 0.984 163 V HN 1.079 nan 8.190 nan 0.000 0.451 164 A N 4.891 127.737 122.820 0.043 0.000 2.451 164 A HA 0.374 4.694 4.320 -0.000 0.000 0.266 164 A C 1.024 178.630 177.584 0.037 0.000 1.119 164 A CA -0.133 51.940 52.037 0.060 0.000 0.786 164 A CB 0.072 19.141 19.000 0.115 0.000 1.061 164 A HN 1.036 nan 8.150 nan 0.000 0.503 165 K N 1.885 122.301 120.400 0.028 0.000 2.391 165 K HA 0.571 4.891 4.320 -0.000 0.000 0.197 165 K C 0.347 176.964 176.600 0.028 0.000 1.087 165 K CA 0.740 57.036 56.287 0.015 0.000 1.012 165 K CB 0.475 32.973 32.500 -0.002 0.000 0.925 165 K HN 0.730 nan 8.250 nan 0.000 0.547 166 A N 0.989 123.842 122.820 0.054 0.000 2.594 166 A HA 0.607 4.927 4.320 -0.000 0.000 0.291 166 A C -1.150 176.520 177.584 0.143 0.000 1.105 166 A CA -0.550 51.533 52.037 0.077 0.000 0.694 166 A CB 1.741 20.776 19.000 0.058 0.000 1.291 166 A HN 0.200 nan 8.150 nan 0.000 0.410 167 V N -1.406 118.627 119.914 0.198 0.000 2.864 167 V HA 0.815 4.935 4.120 -0.000 0.000 0.314 167 V C -0.884 175.405 176.094 0.326 0.000 1.073 167 V CA -0.665 61.850 62.300 0.359 0.000 0.956 167 V CB 1.695 33.771 31.823 0.421 0.000 1.023 167 V HN 0.909 nan 8.190 nan 0.000 0.435 168 D N 1.933 122.511 120.400 0.295 0.000 2.256 168 D HA 0.746 5.386 4.640 -0.000 0.000 0.246 168 D C -0.886 175.542 176.300 0.213 0.000 1.042 168 D CA -0.341 53.725 54.000 0.110 0.000 0.841 168 D CB 1.617 42.409 40.800 -0.013 0.000 1.223 168 D HN 0.699 nan 8.370 nan 0.000 0.470 169 F N 0.966 120.959 119.950 0.070 0.000 2.626 169 F HA 0.615 5.141 4.527 -0.000 0.000 0.311 169 F C -1.453 174.350 175.800 0.005 0.000 1.088 169 F CA -1.344 56.696 58.000 0.067 0.000 0.949 169 F CB 0.798 39.872 39.000 0.122 0.000 1.322 169 F HN 0.019 nan 8.300 nan 0.000 0.461 170 V N 3.653 123.667 119.914 0.167 0.000 2.389 170 V HA 0.324 4.444 4.120 -0.000 0.000 0.264 170 V C -1.983 174.180 176.094 0.115 0.000 1.049 170 V CA -1.554 60.763 62.300 0.027 0.000 0.932 170 V CB 0.299 32.105 31.823 -0.028 0.000 1.011 170 V HN 0.603 nan 8.190 nan 0.000 0.475 171 P HA 0.114 nan 4.420 nan 0.000 0.274 171 P C 1.165 178.450 177.300 -0.024 0.000 1.231 171 P CA -0.142 63.041 63.100 0.140 0.000 0.790 171 P CB 1.241 32.980 31.700 0.064 0.000 0.951 172 V N 0.207 120.106 119.914 -0.024 0.000 2.568 172 V HA -0.247 3.873 4.120 -0.000 0.000 0.253 172 V C 2.057 178.065 176.094 -0.144 0.000 1.072 172 V CA 1.823 64.051 62.300 -0.121 0.000 1.084 172 V CB -1.694 30.088 31.823 -0.068 0.000 0.676 172 V HN 0.484 nan 8.190 nan 0.000 0.469 173 E N 1.517 121.662 120.200 -0.091 0.000 2.153 173 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 173 E C 2.230 178.749 176.600 -0.136 0.000 0.988 173 E CA 1.603 57.947 56.400 -0.093 0.000 0.811 173 E CB -0.817 28.848 29.700 -0.058 0.000 0.746 173 E HN 0.643 nan 8.360 nan 0.000 0.466 174 S N 1.086 116.689 115.700 -0.162 0.000 2.402 174 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 174 S C 2.043 176.459 174.600 -0.306 0.000 1.021 174 S CA 1.110 59.192 58.200 -0.196 0.000 0.974 174 S CB -0.227 62.864 63.200 -0.182 0.000 0.800 174 S HN 0.210 nan 8.310 nan 0.000 0.484 175 M N 1.143 120.474 119.600 -0.448 0.000 2.117 175 M HA -0.151 4.328 4.480 -0.000 0.000 0.262 175 M C 2.179 178.244 176.300 -0.391 0.000 1.065 175 M CA 1.466 56.317 55.300 -0.748 0.000 1.114 175 M CB -0.469 31.544 32.600 -0.978 0.000 1.361 175 M HN 0.311 nan 8.290 nan 0.000 0.408 176 E N -0.280 119.779 120.200 -0.234 0.000 2.047 176 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 176 E C 2.063 178.591 176.600 -0.120 0.000 0.987 176 E CA 1.940 58.263 56.400 -0.128 0.000 0.799 176 E CB -0.303 29.346 29.700 -0.086 0.000 0.752 176 E HN 0.612 nan 8.360 nan 0.000 0.449 177 T N -1.009 113.471 114.554 -0.123 0.000 2.777 177 T HA -0.140 4.209 4.350 -0.000 0.000 0.266 177 T C 2.114 176.752 174.700 -0.103 0.000 1.040 177 T CA 1.667 63.710 62.100 -0.095 0.000 1.141 177 T CB -0.731 68.086 68.868 -0.085 0.000 0.868 177 T HN -0.034 nan 8.240 nan 0.000 0.444 178 T N 2.146 116.614 114.554 -0.143 0.000 2.699 178 T HA -0.042 4.307 4.350 -0.000 0.000 0.268 178 T C 1.990 176.588 174.700 -0.170 0.000 1.036 178 T CA 1.815 63.839 62.100 -0.126 0.000 1.147 178 T CB -0.502 68.288 68.868 -0.129 0.000 0.862 178 T HN 0.383 nan 8.240 nan 0.000 0.446 179 M N 0.847 120.272 119.600 -0.291 0.000 2.202 179 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 179 M C 2.066 178.338 176.300 -0.046 0.000 1.063 179 M CA 1.492 56.525 55.300 -0.446 0.000 1.097 179 M CB -0.244 32.176 32.600 -0.300 0.000 1.382 179 M HN 0.273 nan 8.290 nan 0.000 0.413 180 R N -1.115 119.366 120.500 -0.032 0.000 2.427 180 R HA 0.316 4.656 4.340 -0.000 0.000 0.262 180 R C -0.097 176.210 176.300 0.012 0.000 0.943 180 R CA -0.198 55.912 56.100 0.017 0.000 1.081 180 R CB 0.006 30.310 30.300 0.005 0.000 1.166 180 R HN -0.067 nan 8.270 nan 0.000 0.534 181 S N 2.684 118.385 115.700 0.002 0.000 2.580 181 S HA 0.199 4.669 4.470 -0.000 0.000 0.274 181 S C -2.167 172.431 174.600 -0.004 0.000 1.329 181 S CA -1.001 57.193 58.200 -0.010 0.000 1.036 181 S CB 1.146 64.329 63.200 -0.028 0.000 0.919 181 S HN 0.107 nan 8.310 nan 0.000 0.515 182 P HA 0.014 nan 4.420 nan 0.000 0.232 182 P C 0.854 178.128 177.300 -0.044 0.000 1.606 182 P CA 0.201 63.301 63.100 0.000 0.000 1.105 182 P CB -0.611 31.090 31.700 0.002 0.000 1.919 183 V N -0.044 119.797 119.914 -0.121 0.000 2.226 183 V HA -0.269 3.851 4.120 -0.000 0.000 0.254 183 V C 1.223 177.088 176.094 -0.380 0.000 1.065 183 V CA 1.750 63.844 62.300 -0.344 0.000 1.039 183 V CB -1.383 30.027 31.823 -0.688 0.000 0.653 183 V HN 0.269 nan 8.190 nan 0.000 0.450 184 F N 1.052 121.003 119.950 0.003 0.000 2.640 184 F HA 0.350 4.876 4.527 -0.000 0.000 0.354 184 F C 0.656 176.454 175.800 -0.003 0.000 1.213 184 F CA -0.011 57.986 58.000 -0.006 0.000 1.314 184 F CB -0.930 38.062 39.000 -0.013 0.000 1.679 184 F HN -0.057 nan 8.300 nan 0.000 0.622 185 T N 0.247 114.853 114.554 0.088 0.000 2.795 185 T HA 0.223 4.573 4.350 -0.000 0.000 0.282 185 T C -0.765 173.969 174.700 0.056 0.000 0.980 185 T CA -0.532 61.602 62.100 0.056 0.000 1.012 185 T CB 1.345 70.216 68.868 0.006 0.000 0.936 185 T HN 0.161 nan 8.240 nan 0.000 0.457 186 D N 2.001 122.429 120.400 0.047 0.000 2.381 186 D HA 0.205 4.845 4.640 -0.000 0.000 0.235 186 D C 0.090 176.396 176.300 0.010 0.000 1.068 186 D CA -0.595 53.434 54.000 0.047 0.000 0.832 186 D CB 0.600 41.429 40.800 0.047 0.000 1.101 186 D HN 0.310 nan 8.370 nan 0.000 0.515 187 N N 2.384 121.072 118.700 -0.020 0.000 2.802 187 N HA -0.020 4.720 4.740 -0.000 0.000 0.288 187 N C 0.605 176.096 175.510 -0.032 0.000 1.268 187 N CA -0.003 52.995 53.050 -0.087 0.000 1.035 187 N CB 0.521 38.837 38.487 -0.286 0.000 1.353 187 N HN 0.338 nan 8.380 nan 0.000 0.522 188 S N -1.810 113.891 115.700 0.003 0.000 2.593 188 S HA 0.087 4.557 4.470 -0.000 0.000 0.217 188 S C 0.799 175.400 174.600 0.001 0.000 0.966 188 S CA -0.283 57.929 58.200 0.019 0.000 0.914 188 S CB 0.437 63.651 63.200 0.023 0.000 0.776 188 S HN 0.075 nan 8.310 nan 0.000 0.523 189 S N 2.611 118.302 115.700 -0.014 0.000 2.536 189 S HA 0.579 5.049 4.470 -0.000 0.000 0.298 189 S C -2.921 171.657 174.600 -0.037 0.000 1.083 189 S CA -1.724 56.459 58.200 -0.027 0.000 0.995 189 S CB 1.104 64.289 63.200 -0.025 0.000 1.058 189 S HN 0.152 nan 8.310 nan 0.000 0.488 190 P HA 0.117 nan 4.420 nan 0.000 0.255 190 P C -2.469 174.822 177.300 -0.015 0.000 1.173 190 P CA -0.709 62.339 63.100 -0.086 0.000 0.780 190 P CB -0.944 30.603 31.700 -0.256 0.000 0.758 191 P HA 0.055 nan 4.420 nan 0.000 0.267 191 P C 0.012 177.357 177.300 0.076 0.000 1.200 191 P CA -0.029 63.087 63.100 0.027 0.000 0.772 191 P CB 0.588 32.279 31.700 -0.016 0.000 0.855 192 A N 2.892 125.727 122.820 0.025 0.000 2.425 192 A HA 0.239 4.559 4.320 -0.000 0.000 0.242 192 A C 0.180 177.744 177.584 -0.033 0.000 1.077 192 A CA -0.474 51.583 52.037 0.033 0.000 0.781 192 A CB 0.008 19.015 19.000 0.012 0.000 1.020 192 A HN 0.394 nan 8.150 nan 0.000 0.494 193 V N 4.991 124.868 119.914 -0.060 0.000 2.427 193 V HA 0.246 4.366 4.120 -0.000 0.000 0.268 193 V C -1.444 174.582 176.094 -0.113 0.000 1.046 193 V CA -0.777 61.397 62.300 -0.210 0.000 0.970 193 V CB 0.364 31.926 31.823 -0.436 0.000 1.001 193 V HN 0.910 nan 8.190 nan 0.000 0.476 194 P HA 0.182 nan 4.420 nan 0.000 0.276 194 P C 0.417 177.688 177.300 -0.048 0.000 1.252 194 P CA -0.490 62.562 63.100 -0.080 0.000 0.802 194 P CB 0.932 32.566 31.700 -0.109 0.000 1.035 195 Q N 0.516 120.305 119.800 -0.018 0.000 2.123 195 Q HA -0.032 4.308 4.340 -0.000 0.000 0.199 195 Q C 0.374 176.381 176.000 0.011 0.000 0.966 195 Q CA 1.246 57.051 55.803 0.004 0.000 0.845 195 Q CB -0.797 27.947 28.738 0.010 0.000 0.907 195 Q HN 0.490 nan 8.270 nan 0.000 0.439 196 S N -0.520 115.184 115.700 0.006 0.000 2.568 196 S HA 0.529 4.999 4.470 -0.000 0.000 0.302 196 S C -0.428 174.198 174.600 0.044 0.000 1.082 196 S CA -1.056 57.168 58.200 0.040 0.000 1.009 196 S CB 1.022 64.246 63.200 0.040 0.000 1.069 196 S HN 0.255 nan 8.310 nan 0.000 0.500 197 F N 2.457 122.379 119.950 -0.046 0.000 2.623 197 F HA 0.182 4.709 4.527 -0.000 0.000 0.386 197 F C 0.348 176.110 175.800 -0.063 0.000 1.068 197 F CA 1.086 59.050 58.000 -0.060 0.000 1.265 197 F CB 0.266 39.236 39.000 -0.050 0.000 1.026 197 F HN 0.568 nan 8.300 nan 0.000 0.568 198 Q N 4.647 123.923 119.800 -0.874 0.000 2.379 198 Q HA 0.454 4.793 4.340 -0.000 0.000 0.278 198 Q C -1.364 174.123 176.000 -0.855 0.000 1.068 198 Q CA -0.930 54.485 55.803 -0.647 0.000 0.816 198 Q CB 2.323 30.860 28.738 -0.335 0.000 1.387 198 Q HN 0.462 nan 8.270 nan 0.000 0.413 199 V N 1.000 120.604 119.914 -0.516 0.000 2.394 199 V HA 0.811 4.931 4.120 -0.000 0.000 0.282 199 V C -0.224 175.673 176.094 -0.328 0.000 1.031 199 V CA -0.457 61.600 62.300 -0.405 0.000 0.881 199 V CB 1.221 32.894 31.823 -0.250 0.000 0.982 199 V HN 0.832 nan 8.190 nan 0.000 0.451 200 A N 4.182 126.793 122.820 -0.348 0.000 2.384 200 A HA 0.818 5.137 4.320 -0.000 0.000 0.312 200 A C -0.766 176.588 177.584 -0.383 0.000 1.113 200 A CA -0.668 51.204 52.037 -0.275 0.000 0.779 200 A CB 1.296 20.183 19.000 -0.188 0.000 1.307 200 A HN 0.865 nan 8.150 nan 0.000 0.436 201 H N 0.510 119.478 119.070 -0.170 0.000 2.466 201 H HA 0.494 5.049 4.556 -0.000 0.000 0.338 201 H C -1.508 173.672 175.328 -0.246 0.000 1.091 201 H CA -0.456 55.465 56.048 -0.213 0.000 1.207 201 H CB 1.939 31.484 29.762 -0.361 0.000 1.466 201 H HN 0.427 nan 8.280 nan 0.000 0.493 202 L N 4.486 125.698 121.223 -0.018 0.000 2.316 202 L HA 0.254 4.594 4.340 -0.000 0.000 0.280 202 L C -0.904 176.073 176.870 0.179 0.000 1.006 202 L CA -0.337 54.511 54.840 0.013 0.000 0.836 202 L CB 0.346 42.422 42.059 0.029 0.000 1.221 202 L HN 0.611 nan 8.230 nan 0.000 0.418 203 H N 4.895 123.987 119.070 0.037 0.000 2.595 203 H HA 0.845 5.401 4.556 -0.000 0.000 0.313 203 H C -0.614 174.720 175.328 0.011 0.000 1.023 203 H CA -0.716 55.347 56.048 0.024 0.000 1.218 203 H CB 1.458 31.227 29.762 0.012 0.000 1.403 203 H HN 0.817 nan 8.280 nan 0.000 0.477 204 A N 4.532 127.426 122.820 0.123 0.000 2.604 204 A HA 0.475 4.795 4.320 -0.000 0.000 0.295 204 A C -2.977 174.629 177.584 0.036 0.000 1.067 204 A CA -1.744 50.331 52.037 0.062 0.000 0.683 204 A CB 1.316 20.343 19.000 0.045 0.000 1.281 204 A HN 0.348 nan 8.150 nan 0.000 0.407 205 P HA 0.240 nan 4.420 nan 0.000 0.269 205 P C 0.046 177.357 177.300 0.019 0.000 1.215 205 P CA 0.281 63.385 63.100 0.006 0.000 0.780 205 P CB 0.242 31.938 31.700 -0.006 0.000 0.898 206 T N 1.733 116.300 114.554 0.022 0.000 2.933 206 T HA 0.290 4.640 4.350 -0.000 0.000 0.306 206 T C 1.409 176.130 174.700 0.035 0.000 1.045 206 T CA 1.522 63.643 62.100 0.035 0.000 1.143 206 T CB -0.513 68.380 68.868 0.041 0.000 1.003 206 T HN 0.847 nan 8.240 nan 0.000 0.540 207 G N 2.005 110.823 108.800 0.030 0.000 2.175 207 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 207 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 207 G C 1.021 175.937 174.900 0.027 0.000 0.982 207 G CA 0.575 45.690 45.100 0.025 0.000 0.641 207 G HN 1.058 nan 8.290 nan 0.000 0.527 208 S N -0.301 115.415 115.700 0.026 0.000 2.558 208 S HA 0.442 4.912 4.470 -0.000 0.000 0.217 208 S C 1.986 176.602 174.600 0.027 0.000 0.975 208 S CA 1.298 59.513 58.200 0.025 0.000 0.912 208 S CB 0.395 63.606 63.200 0.019 0.000 0.776 208 S HN 2.342 nan 8.310 nan 0.000 0.526 209 G N 1.636 110.453 108.800 0.028 0.000 2.130 209 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 209 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 209 G C 0.634 175.532 174.900 -0.002 0.000 0.999 209 G CA 0.236 45.354 45.100 0.029 0.000 0.686 209 G HN 0.498 nan 8.290 nan 0.000 0.515 210 K N 0.550 120.951 120.400 0.002 0.000 2.113 210 K HA -0.113 4.206 4.320 -0.000 0.000 0.208 210 K C 2.582 179.160 176.600 -0.037 0.000 1.047 210 K CA 1.907 58.189 56.287 -0.009 0.000 0.928 210 K CB -0.195 32.318 32.500 0.022 0.000 0.716 210 K HN 0.707 nan 8.250 nan 0.000 0.446 211 S N -0.944 114.730 115.700 -0.044 0.000 2.524 211 S HA 0.030 4.500 4.470 -0.000 0.000 0.215 211 S C 1.555 176.053 174.600 -0.170 0.000 0.986 211 S CA 0.494 58.610 58.200 -0.141 0.000 0.911 211 S CB 0.315 63.411 63.200 -0.172 0.000 0.805 211 S HN 0.357 nan 8.310 nan 0.000 0.501 212 T N -0.138 114.379 114.554 -0.060 0.000 3.272 212 T HA 0.316 4.666 4.350 -0.000 0.000 0.247 212 T C 1.581 176.214 174.700 -0.111 0.000 0.990 212 T CA 0.288 62.400 62.100 0.020 0.000 1.213 212 T CB -0.472 68.513 68.868 0.195 0.000 1.124 212 T HN 0.188 nan 8.240 nan 0.000 0.401 213 K N 1.066 121.436 120.400 -0.049 0.000 2.057 213 K HA -0.004 4.316 4.320 -0.000 0.000 0.207 213 K C 2.198 178.683 176.600 -0.192 0.000 1.049 213 K CA 1.417 57.635 56.287 -0.115 0.000 0.931 213 K CB -0.605 31.920 32.500 0.043 0.000 0.714 213 K HN 0.230 nan 8.250 nan 0.000 0.440 214 V N 1.998 121.813 119.914 -0.165 0.000 2.261 214 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 214 V C -1.054 174.874 176.094 -0.277 0.000 1.047 214 V CA 2.059 64.203 62.300 -0.260 0.000 1.015 214 V CB -1.091 30.625 31.823 -0.178 0.000 0.642 214 V HN 0.401 nan 8.190 nan 0.000 0.446 215 P HA -0.113 nan 4.420 nan 0.000 0.218 215 P C 1.536 178.803 177.300 -0.055 0.000 1.149 215 P CA 1.981 65.071 63.100 -0.017 0.000 0.817 215 P CB -0.058 31.569 31.700 -0.121 0.000 0.785 216 A N 0.566 123.277 122.820 -0.182 0.000 1.930 216 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 216 A C 2.454 179.976 177.584 -0.102 0.000 1.175 216 A CA 1.947 53.866 52.037 -0.198 0.000 0.627 216 A CB -1.413 17.246 19.000 -0.568 0.000 0.815 216 A HN 0.232 nan 8.150 nan 0.000 0.443 217 A N -1.417 121.312 122.820 -0.151 0.000 1.897 217 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 217 A C 2.056 179.621 177.584 -0.032 0.000 1.181 217 A CA 1.380 53.342 52.037 -0.125 0.000 0.620 217 A CB -0.710 18.155 19.000 -0.224 0.000 0.821 217 A HN 0.512 nan 8.150 nan 0.000 0.443 218 Y N 0.027 120.344 120.300 0.028 0.000 2.181 218 Y HA -0.079 4.471 4.550 -0.000 0.000 0.288 218 Y C 2.937 178.922 175.900 0.141 0.000 1.146 218 Y CA 0.471 58.649 58.100 0.129 0.000 1.164 218 Y CB -0.934 37.562 38.460 0.059 0.000 0.982 218 Y HN 0.322 nan 8.280 nan 0.000 0.515 219 A N -0.067 122.882 122.820 0.215 0.000 1.902 219 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 219 A C 2.458 180.080 177.584 0.063 0.000 1.181 219 A CA 1.718 53.827 52.037 0.120 0.000 0.623 219 A CB -1.186 17.856 19.000 0.071 0.000 0.818 219 A HN 0.370 nan 8.150 nan 0.000 0.443 220 A N -0.759 122.091 122.820 0.050 0.000 2.070 220 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 220 A C 1.933 179.515 177.584 -0.003 0.000 1.159 220 A CA 1.523 53.573 52.037 0.021 0.000 0.656 220 A CB -0.436 18.576 19.000 0.020 0.000 0.800 220 A HN 0.673 nan 8.150 nan 0.000 0.453 221 Q N -1.739 118.068 119.800 0.012 0.000 2.403 221 Q HA 0.288 4.627 4.340 -0.000 0.000 0.203 221 Q C 1.073 176.896 176.000 -0.295 0.000 0.932 221 Q CA 0.365 56.122 55.803 -0.076 0.000 0.945 221 Q CB 0.200 28.973 28.738 0.057 0.000 1.045 221 Q HN 0.844 nan 8.270 nan 0.000 0.511 222 G N -0.183 108.495 108.800 -0.203 0.000 2.176 222 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.232 222 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.232 222 G C -0.395 174.351 174.900 -0.257 0.000 0.986 222 G CA -0.410 44.544 45.100 -0.244 0.000 0.643 222 G HN 0.249 nan 8.290 nan 0.000 0.522 223 Y N 0.795 121.111 120.300 0.027 0.000 2.307 223 Y HA 0.590 5.140 4.550 -0.000 0.000 0.324 223 Y C 1.060 176.968 175.900 0.012 0.000 1.238 223 Y CA -0.561 57.541 58.100 0.004 0.000 1.280 223 Y CB 0.823 39.265 38.460 -0.030 0.000 1.248 223 Y HN -0.003 nan 8.280 nan 0.000 0.508 224 K N 2.021 122.538 120.400 0.194 0.000 2.234 224 K HA 0.561 4.881 4.320 -0.000 0.000 0.277 224 K C -1.327 175.397 176.600 0.207 0.000 1.038 224 K CA -0.557 55.827 56.287 0.161 0.000 0.888 224 K CB 1.175 33.728 32.500 0.089 0.000 1.091 224 K HN 0.319 nan 8.250 nan 0.000 0.467 225 V N 4.159 124.162 119.914 0.148 0.000 2.495 225 V HA 0.352 4.471 4.120 -0.000 0.000 0.298 225 V C -0.807 175.133 176.094 -0.256 0.000 1.031 225 V CA -1.099 61.172 62.300 -0.048 0.000 0.871 225 V CB 1.544 33.310 31.823 -0.094 0.000 0.988 225 V HN 0.549 nan 8.190 nan 0.000 0.432 226 L N 5.848 126.717 121.223 -0.591 0.000 2.296 226 L HA 0.756 5.096 4.340 -0.000 0.000 0.286 226 L C -0.610 175.898 176.870 -0.603 0.000 1.023 226 L CA 0.000 54.330 54.840 -0.851 0.000 0.812 226 L CB 1.762 43.013 42.059 -1.346 0.000 1.223 226 L HN 0.464 nan 8.230 nan 0.000 0.421 227 V N 6.577 126.127 119.914 -0.607 0.000 2.409 227 V HA 0.453 4.573 4.120 -0.000 0.000 0.291 227 V C -0.116 175.720 176.094 -0.429 0.000 1.020 227 V CA -0.540 61.455 62.300 -0.509 0.000 0.848 227 V CB 1.458 32.913 31.823 -0.614 0.000 0.990 227 V HN 0.616 nan 8.190 nan 0.000 0.430 228 L N 5.070 125.995 121.223 -0.497 0.000 2.309 228 L HA 0.647 4.987 4.340 -0.000 0.000 0.282 228 L C -0.004 176.462 176.870 -0.674 0.000 1.036 228 L CA -0.211 54.175 54.840 -0.756 0.000 0.806 228 L CB 1.456 42.755 42.059 -1.265 0.000 1.220 228 L HN 0.622 nan 8.230 nan 0.000 0.429 229 N N 3.053 121.457 118.700 -0.494 0.000 2.242 229 N HA 0.395 5.135 4.740 -0.000 0.000 0.292 229 N C -2.522 173.038 175.510 0.083 0.000 1.125 229 N CA -1.591 51.423 53.050 -0.060 0.000 0.783 229 N CB 3.387 41.972 38.487 0.163 0.000 1.558 229 N HN 0.146 nan 8.380 nan 0.000 0.472 230 P HA 0.063 nan 4.420 nan 0.000 0.245 230 P C -0.180 177.192 177.300 0.119 0.000 1.212 230 P CA 0.483 63.730 63.100 0.244 0.000 0.774 230 P CB 0.290 32.069 31.700 0.131 0.000 0.999 231 S N -0.546 115.208 115.700 0.090 0.000 2.456 231 S HA 0.252 4.722 4.470 -0.000 0.000 0.316 231 S C 1.191 175.804 174.600 0.021 0.000 1.089 231 S CA -0.657 57.572 58.200 0.049 0.000 1.101 231 S CB 0.665 63.881 63.200 0.027 0.000 0.995 231 S HN -0.267 nan 8.310 nan 0.000 0.468 232 V N 5.599 125.525 119.914 0.020 0.000 2.287 232 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 232 V C 2.804 178.874 176.094 -0.039 0.000 1.053 232 V CA 2.485 64.788 62.300 0.004 0.000 1.027 232 V CB -1.358 30.474 31.823 0.015 0.000 0.646 232 V HN 0.956 nan 8.190 nan 0.000 0.447 233 A N -0.069 122.719 122.820 -0.053 0.000 1.902 233 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 233 A C 2.433 179.883 177.584 -0.222 0.000 1.181 233 A CA 2.133 54.101 52.037 -0.116 0.000 0.623 233 A CB -0.817 18.120 19.000 -0.106 0.000 0.818 233 A HN 0.580 nan 8.150 nan 0.000 0.443 234 A N -1.007 121.671 122.820 -0.237 0.000 1.877 234 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 234 A C 2.324 179.504 177.584 -0.674 0.000 1.186 234 A CA 2.351 54.105 52.037 -0.472 0.000 0.620 234 A CB -1.302 17.524 19.000 -0.290 0.000 0.822 234 A HN 0.429 nan 8.150 nan 0.000 0.443 235 T N 0.595 115.009 114.554 -0.234 0.000 2.708 235 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 235 T C 1.819 176.472 174.700 -0.078 0.000 1.037 235 T CA 1.477 63.576 62.100 -0.001 0.000 1.146 235 T CB -0.423 68.505 68.868 0.099 0.000 0.865 235 T HN 0.366 nan 8.240 nan 0.000 0.435 236 L N 0.695 121.853 121.223 -0.109 0.000 2.079 236 L HA -0.045 4.294 4.340 -0.000 0.000 0.210 236 L C 2.983 179.761 176.870 -0.154 0.000 1.081 236 L CA 1.352 56.139 54.840 -0.087 0.000 0.752 236 L CB -0.983 41.033 42.059 -0.072 0.000 0.896 236 L HN 0.366 nan 8.230 nan 0.000 0.433 237 G N -0.509 108.110 108.800 -0.302 0.000 2.443 237 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 237 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 237 G C 1.288 176.005 174.900 -0.304 0.000 1.131 237 G CA 0.228 45.126 45.100 -0.336 0.000 0.775 237 G HN 0.186 nan 8.290 nan 0.000 0.547 238 F N 1.877 121.664 119.950 -0.271 0.000 2.216 238 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 238 F C 2.771 178.433 175.800 -0.229 0.000 1.085 238 F CA 0.335 58.076 58.000 -0.432 0.000 1.326 238 F CB -0.877 37.374 39.000 -1.248 0.000 1.027 238 F HN 0.167 nan 8.300 nan 0.000 0.497 239 G N -0.027 108.783 108.800 0.017 0.000 2.545 239 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 239 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 239 G C 1.963 176.906 174.900 0.072 0.000 1.218 239 G CA 1.350 46.491 45.100 0.069 0.000 0.787 239 G HN 0.464 nan 8.290 nan 0.000 0.571 240 A N -0.329 122.517 122.820 0.043 0.000 1.877 240 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 240 A C 2.268 179.885 177.584 0.056 0.000 1.186 240 A CA 1.833 53.890 52.037 0.033 0.000 0.620 240 A CB -0.768 18.236 19.000 0.007 0.000 0.822 240 A HN 0.527 nan 8.150 nan 0.000 0.443 241 Y N -0.188 120.108 120.300 -0.007 0.000 2.165 241 Y HA -0.237 4.312 4.550 -0.000 0.000 0.286 241 Y C 2.358 178.307 175.900 0.082 0.000 1.155 241 Y CA 2.213 60.328 58.100 0.026 0.000 1.164 241 Y CB -0.139 38.347 38.460 0.042 0.000 0.978 241 Y HN 0.208 nan 8.280 nan 0.000 0.513 242 M N -1.013 118.736 119.600 0.247 0.000 2.175 242 M HA -0.172 4.308 4.480 -0.000 0.000 0.264 242 M C 2.537 178.901 176.300 0.108 0.000 1.063 242 M CA 1.550 57.001 55.300 0.252 0.000 1.119 242 M CB -1.383 31.396 32.600 0.299 0.000 1.377 242 M HN 0.312 nan 8.290 nan 0.000 0.415 243 S N 0.435 116.169 115.700 0.057 0.000 2.356 243 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 243 S C 2.022 176.592 174.600 -0.049 0.000 1.032 243 S CA 1.741 59.953 58.200 0.019 0.000 1.005 243 S CB -0.049 63.162 63.200 0.018 0.000 0.867 243 S HN 0.480 nan 8.310 nan 0.000 0.449 244 K N 0.305 120.636 120.400 -0.115 0.000 2.057 244 K HA 0.054 4.374 4.320 -0.000 0.000 0.206 244 K C 1.967 178.401 176.600 -0.277 0.000 1.050 244 K CA 1.294 57.472 56.287 -0.180 0.000 0.935 244 K CB -0.441 31.939 32.500 -0.200 0.000 0.715 244 K HN 0.359 nan 8.250 nan 0.000 0.439 245 A N -0.527 122.027 122.820 -0.445 0.000 2.081 245 A HA 0.025 4.344 4.320 -0.000 0.000 0.214 245 A C 0.679 177.849 177.584 -0.690 0.000 1.158 245 A CA 0.878 52.531 52.037 -0.640 0.000 0.724 245 A CB -0.202 18.184 19.000 -1.025 0.000 0.826 245 A HN 0.519 nan 8.150 nan 0.000 0.463 246 H N -2.502 116.512 119.070 -0.092 0.000 3.367 246 H HA 0.367 4.922 4.556 -0.000 0.000 0.257 246 H C 1.129 176.451 175.328 -0.009 0.000 1.201 246 H CA 0.060 56.094 56.048 -0.023 0.000 1.102 246 H CB 0.679 30.456 29.762 0.026 0.000 1.656 246 H HN 0.491 nan 8.280 nan 0.000 0.662 247 G N 1.548 110.376 108.800 0.046 0.000 2.249 247 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 247 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 247 G C -0.113 174.826 174.900 0.065 0.000 1.036 247 G CA 0.553 45.675 45.100 0.036 0.000 0.824 247 G HN 0.391 nan 8.290 nan 0.000 0.504 248 I N 0.226 120.854 120.570 0.096 0.000 2.436 248 I HA 0.292 4.461 4.170 -0.000 0.000 0.289 248 I C -0.899 175.281 176.117 0.105 0.000 1.010 248 I CA -0.875 60.486 61.300 0.101 0.000 1.098 248 I CB 1.772 39.846 38.000 0.124 0.000 1.266 248 I HN -0.133 nan 8.210 nan 0.000 0.434 249 D N 8.470 128.923 120.400 0.087 0.000 2.479 249 D HA 0.249 4.888 4.640 -0.000 0.000 0.218 249 D C -2.275 174.091 176.300 0.111 0.000 1.131 249 D CA -1.121 52.932 54.000 0.089 0.000 0.916 249 D CB 0.959 41.796 40.800 0.061 0.000 1.022 249 D HN 0.221 nan 8.370 nan 0.000 0.515 250 P HA 0.061 nan 4.420 nan 0.000 0.274 250 P C 0.065 177.466 177.300 0.169 0.000 1.237 250 P CA -0.559 62.657 63.100 0.194 0.000 0.793 250 P CB 1.235 33.155 31.700 0.368 0.000 0.977 251 N N 1.415 120.203 118.700 0.146 0.000 2.492 251 N HA 0.144 4.884 4.740 -0.000 0.000 0.260 251 N C -0.090 175.522 175.510 0.171 0.000 1.215 251 N CA 0.262 53.392 53.050 0.133 0.000 0.923 251 N CB 0.361 38.920 38.487 0.120 0.000 1.092 251 N HN 0.319 nan 8.380 nan 0.000 0.448 252 I N 1.952 122.608 120.570 0.143 0.000 2.436 252 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 252 I C 0.130 176.314 176.117 0.112 0.000 1.010 252 I CA -0.432 60.958 61.300 0.151 0.000 1.098 252 I CB 1.579 39.652 38.000 0.122 0.000 1.266 252 I HN 0.284 nan 8.210 nan 0.000 0.434 253 R N 3.880 124.447 120.500 0.111 0.000 2.473 253 R HA 0.612 4.952 4.340 -0.000 0.000 0.303 253 R C -0.406 175.938 176.300 0.073 0.000 1.002 253 R CA -0.523 55.630 56.100 0.087 0.000 0.884 253 R CB 2.381 32.735 30.300 0.090 0.000 1.173 253 R HN 0.803 nan 8.270 nan 0.000 0.464 254 T N -2.269 112.321 114.554 0.061 0.000 2.865 254 T HA 0.385 4.735 4.350 -0.000 0.000 0.294 254 T C 1.107 175.832 174.700 0.042 0.000 1.119 254 T CA -0.427 61.702 62.100 0.047 0.000 1.007 254 T CB 1.817 70.707 68.868 0.037 0.000 1.225 254 T HN 0.402 nan 8.240 nan 0.000 0.515 255 G N -0.124 108.694 108.800 0.030 0.000 2.418 255 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.217 255 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.217 255 G C 1.383 176.302 174.900 0.032 0.000 1.158 255 G CA 1.050 46.166 45.100 0.027 0.000 0.771 255 G HN 0.801 nan 8.290 nan 0.000 0.545 256 V N -0.632 119.299 119.914 0.028 0.000 2.951 256 V HA 0.379 4.499 4.120 -0.000 0.000 0.255 256 V C 0.919 177.032 176.094 0.032 0.000 1.088 256 V CA 0.689 63.007 62.300 0.030 0.000 1.109 256 V CB -0.164 31.675 31.823 0.027 0.000 0.724 256 V HN 0.269 nan 8.190 nan 0.000 0.471 257 R N -0.347 120.173 120.500 0.033 0.000 2.523 257 R HA 0.374 4.714 4.340 -0.000 0.000 0.278 257 R C -1.420 174.905 176.300 0.043 0.000 1.150 257 R CA -0.203 55.918 56.100 0.035 0.000 0.987 257 R CB 1.895 32.212 30.300 0.028 0.000 1.232 257 R HN 0.251 nan 8.270 nan 0.000 0.424 258 T N 5.234 119.815 114.554 0.046 0.000 2.829 258 T HA 0.582 4.931 4.350 -0.000 0.000 0.280 258 T C -0.351 174.380 174.700 0.052 0.000 0.999 258 T CA -0.406 61.726 62.100 0.054 0.000 0.983 258 T CB 1.111 70.011 68.868 0.054 0.000 0.968 258 T HN 0.391 nan 8.240 nan 0.000 0.446 259 I N 2.598 123.205 120.570 0.061 0.000 2.500 259 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 259 I C -0.280 175.877 176.117 0.066 0.000 1.063 259 I CA -0.667 60.668 61.300 0.058 0.000 1.062 259 I CB 2.147 40.183 38.000 0.059 0.000 1.223 259 I HN 0.482 nan 8.210 nan 0.000 0.435 260 T N 2.938 117.526 114.554 0.056 0.000 2.772 260 T HA 0.240 4.590 4.350 -0.000 0.000 0.288 260 T C 0.951 175.679 174.700 0.047 0.000 0.994 260 T CA -0.473 61.660 62.100 0.056 0.000 0.951 260 T CB 1.182 70.078 68.868 0.046 0.000 0.933 260 T HN 0.784 nan 8.240 nan 0.000 0.447 261 T N -0.563 114.023 114.554 0.053 0.000 3.001 261 T HA 0.376 4.726 4.350 -0.000 0.000 0.251 261 T C 1.796 176.518 174.700 0.036 0.000 1.040 261 T CA 0.489 62.616 62.100 0.045 0.000 0.985 261 T CB 0.086 68.986 68.868 0.053 0.000 1.011 261 T HN 0.926 nan 8.240 nan 0.000 0.509 262 G N 1.567 110.389 108.800 0.037 0.000 2.176 262 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.253 262 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.253 262 G C 0.422 175.338 174.900 0.028 0.000 0.979 262 G CA -0.013 45.101 45.100 0.024 0.000 0.641 262 G HN 1.180 nan 8.290 nan 0.000 0.530 263 A N 0.726 123.573 122.820 0.045 0.000 2.475 263 A HA 0.579 4.898 4.320 -0.000 0.000 0.239 263 A C 0.001 177.617 177.584 0.052 0.000 1.087 263 A CA 0.164 52.232 52.037 0.051 0.000 0.779 263 A CB 0.374 19.416 19.000 0.070 0.000 1.036 263 A HN 0.242 nan 8.150 nan 0.000 0.506 264 P HA 0.144 nan 4.420 nan 0.000 0.249 264 P C -0.461 176.888 177.300 0.083 0.000 1.229 264 P CA 0.421 63.556 63.100 0.058 0.000 0.788 264 P CB 0.046 31.774 31.700 0.047 0.000 1.072 265 V N -0.145 119.806 119.914 0.061 0.000 2.540 265 V HA 0.409 4.528 4.120 -0.000 0.000 0.302 265 V C -0.073 176.010 176.094 -0.018 0.000 1.035 265 V CA -0.171 62.120 62.300 -0.014 0.000 0.873 265 V CB 2.171 33.963 31.823 -0.051 0.000 0.992 265 V HN -0.117 nan 8.190 nan 0.000 0.428 266 T N 4.153 118.628 114.554 -0.132 0.000 2.848 266 T HA 0.613 4.963 4.350 -0.000 0.000 0.285 266 T C -1.236 173.269 174.700 -0.326 0.000 0.995 266 T CA -0.322 61.728 62.100 -0.083 0.000 0.970 266 T CB 0.959 69.871 68.868 0.074 0.000 0.976 266 T HN 0.410 nan 8.240 nan 0.000 0.441 267 Y N 1.426 121.708 120.300 -0.029 0.000 2.341 267 Y HA 0.631 5.180 4.550 -0.000 0.000 0.337 267 Y C 0.698 176.582 175.900 -0.026 0.000 1.014 267 Y CA -0.418 57.654 58.100 -0.047 0.000 1.111 267 Y CB 1.877 40.378 38.460 0.069 0.000 1.194 267 Y HN 0.569 nan 8.280 nan 0.000 0.462 268 S N 1.366 117.088 115.700 0.037 0.000 2.564 268 S HA 0.541 5.011 4.470 -0.000 0.000 0.274 268 S C -0.547 174.013 174.600 -0.067 0.000 1.124 268 S CA -0.802 57.400 58.200 0.004 0.000 0.869 268 S CB 0.847 64.033 63.200 -0.022 0.000 1.105 268 S HN 0.721 nan 8.310 nan 0.000 0.472 269 T N 1.928 116.470 114.554 -0.020 0.000 2.813 269 T HA 0.313 4.662 4.350 -0.000 0.000 0.297 269 T C 0.868 175.516 174.700 -0.087 0.000 1.036 269 T CA -0.031 62.040 62.100 -0.048 0.000 1.044 269 T CB 0.076 68.964 68.868 0.033 0.000 0.993 269 T HN 0.628 nan 8.240 nan 0.000 0.535 270 Y N 1.284 121.580 120.300 -0.006 0.000 2.224 270 Y HA 0.061 4.611 4.550 -0.000 0.000 0.289 270 Y C 2.829 178.753 175.900 0.039 0.000 1.146 270 Y CA 1.724 59.823 58.100 -0.001 0.000 1.182 270 Y CB -1.014 37.413 38.460 -0.054 0.000 0.983 270 Y HN 0.883 nan 8.280 nan 0.000 0.524 271 G N -0.356 108.540 108.800 0.159 0.000 2.418 271 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 271 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 271 G C 1.669 176.625 174.900 0.093 0.000 1.158 271 G CA 1.222 46.384 45.100 0.104 0.000 0.771 271 G HN 0.227 nan 8.290 nan 0.000 0.545 272 K N 0.393 120.846 120.400 0.090 0.000 2.103 272 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 272 K C 1.997 178.649 176.600 0.086 0.000 1.052 272 K CA 0.771 57.108 56.287 0.085 0.000 0.945 272 K CB -0.708 31.836 32.500 0.074 0.000 0.722 272 K HN 0.258 nan 8.250 nan 0.000 0.443 273 F N 0.819 120.734 119.950 -0.058 0.000 2.126 273 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 273 F C 1.462 177.196 175.800 -0.110 0.000 1.096 273 F CA 1.548 59.502 58.000 -0.077 0.000 1.255 273 F CB -0.178 38.758 39.000 -0.106 0.000 0.997 273 F HN -0.007 nan 8.300 nan 0.000 0.479 274 L N 0.089 121.166 121.223 -0.242 0.000 2.056 274 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 274 L C 2.850 179.505 176.870 -0.359 0.000 1.078 274 L CA 1.111 55.604 54.840 -0.578 0.000 0.749 274 L CB -1.250 40.129 42.059 -1.135 0.000 0.901 274 L HN 0.245 nan 8.230 nan 0.000 0.433 275 A N -0.415 122.374 122.820 -0.051 0.000 2.019 275 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 275 A C 1.771 179.382 177.584 0.045 0.000 1.164 275 A CA 1.848 53.995 52.037 0.184 0.000 0.644 275 A CB -0.428 18.701 19.000 0.214 0.000 0.805 275 A HN 0.355 nan 8.150 nan 0.000 0.449 276 D N -1.468 118.899 120.400 -0.056 0.000 2.355 276 D HA 0.223 4.863 4.640 -0.000 0.000 0.218 276 D C 1.396 177.612 176.300 -0.139 0.000 1.004 276 D CA 1.178 55.135 54.000 -0.071 0.000 0.880 276 D CB 0.108 40.874 40.800 -0.057 0.000 0.911 276 D HN 0.616 nan 8.370 nan 0.000 0.528 277 G N -0.445 108.226 108.800 -0.215 0.000 2.159 277 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.227 277 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.227 277 G C 0.877 175.559 174.900 -0.365 0.000 0.986 277 G CA 0.172 45.142 45.100 -0.217 0.000 0.651 277 G HN 0.805 nan 8.290 nan 0.000 0.523 278 G N -1.364 106.999 108.800 -0.728 0.000 2.488 278 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.237 278 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.237 278 G C 0.521 175.085 174.900 -0.561 0.000 1.209 278 G CA 0.300 44.730 45.100 -1.117 0.000 0.929 278 G HN 1.578 nan 8.290 nan 0.000 0.578 279 C N 1.358 120.586 119.300 -0.119 0.000 2.576 279 C HA 0.617 5.077 4.460 -0.000 0.000 0.401 279 C C 1.163 176.181 174.990 0.047 0.000 1.314 279 C CA 0.284 59.373 59.018 0.118 0.000 1.855 279 C CB 0.128 27.962 27.740 0.157 0.000 2.537 279 C HN 0.715 nan 8.230 nan 0.000 0.578 280 S N 2.048 117.801 115.700 0.089 0.000 2.499 280 S HA 0.477 4.947 4.470 -0.000 0.000 0.279 280 S C 0.637 175.248 174.600 0.018 0.000 1.219 280 S CA -0.340 57.879 58.200 0.032 0.000 1.062 280 S CB 1.079 64.292 63.200 0.021 0.000 0.978 280 S HN 1.034 nan 8.310 nan 0.000 0.489 281 G N 1.187 109.984 108.800 -0.006 0.000 2.225 281 G HA2 0.380 4.340 3.960 -0.000 0.000 0.245 281 G HA3 0.380 4.340 3.960 -0.000 0.000 0.245 281 G C 1.160 176.042 174.900 -0.030 0.000 1.249 281 G CA 0.092 45.183 45.100 -0.014 0.000 0.919 281 G HN 1.412 nan 8.290 nan 0.000 0.486 282 G N 1.175 109.959 108.800 -0.026 0.000 2.168 282 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.263 282 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.263 282 G C 1.340 176.180 174.900 -0.100 0.000 0.977 282 G CA 1.187 46.260 45.100 -0.044 0.000 0.659 282 G HN 1.718 nan 8.290 nan 0.000 0.533 283 A N -1.383 121.350 122.820 -0.146 0.000 1.930 283 A HA 0.531 4.851 4.320 -0.000 0.000 0.215 283 A C 0.734 177.922 177.584 -0.659 0.000 1.176 283 A CA 1.474 53.260 52.037 -0.418 0.000 0.632 283 A CB 0.093 18.816 19.000 -0.462 0.000 0.819 283 A HN 0.866 nan 8.150 nan 0.000 0.445 284 Y N -1.276 119.023 120.300 -0.002 0.000 2.492 284 Y HA 0.345 4.895 4.550 -0.000 0.000 0.346 284 Y C 0.155 176.040 175.900 -0.025 0.000 0.997 284 Y CA -1.339 56.749 58.100 -0.021 0.000 1.025 284 Y CB 1.554 39.990 38.460 -0.041 0.000 1.263 284 Y HN 0.104 nan 8.280 nan 0.000 0.454 285 D N 1.686 122.161 120.400 0.124 0.000 2.216 285 D HA 0.137 4.777 4.640 -0.000 0.000 0.208 285 D C 0.091 176.325 176.300 -0.110 0.000 0.960 285 D CA 1.429 55.442 54.000 0.023 0.000 0.861 285 D CB 1.025 41.867 40.800 0.071 0.000 0.985 285 D HN 0.341 nan 8.370 nan 0.000 0.493 286 I N 1.128 121.609 120.570 -0.147 0.000 2.533 286 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 286 I C -0.741 175.228 176.117 -0.248 0.000 1.056 286 I CA -0.620 60.495 61.300 -0.308 0.000 1.057 286 I CB 2.866 40.508 38.000 -0.597 0.000 1.240 286 I HN -0.320 nan 8.210 nan 0.000 0.423 287 I N 6.721 127.143 120.570 -0.248 0.000 2.410 287 I HA 0.423 4.593 4.170 -0.000 0.000 0.286 287 I C -0.527 175.429 176.117 -0.267 0.000 1.009 287 I CA -0.434 60.694 61.300 -0.286 0.000 1.111 287 I CB 1.865 39.727 38.000 -0.230 0.000 1.262 287 I HN 0.358 nan 8.210 nan 0.000 0.443 288 I N 5.619 126.018 120.570 -0.286 0.000 2.312 288 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 288 I C -0.288 175.703 176.117 -0.210 0.000 1.008 288 I CA -0.401 60.773 61.300 -0.211 0.000 1.226 288 I CB 1.231 39.126 38.000 -0.176 0.000 1.371 288 I HN 0.564 nan 8.210 nan 0.000 0.468 289 C N 5.086 124.310 119.300 -0.127 0.000 2.158 289 C HA 0.175 4.635 4.460 -0.000 0.000 0.350 289 C C 0.569 175.590 174.990 0.051 0.000 1.064 289 C CA -0.511 58.497 59.018 -0.016 0.000 1.507 289 C CB -1.226 26.543 27.740 0.048 0.000 1.934 289 C HN 0.592 nan 8.230 nan 0.000 0.479 290 D N 2.266 122.684 120.400 0.029 0.000 2.341 290 D HA 0.095 4.735 4.640 -0.000 0.000 0.245 290 D C 0.634 177.020 176.300 0.144 0.000 1.106 290 D CA 0.585 54.625 54.000 0.067 0.000 0.905 290 D CB 0.669 41.485 40.800 0.027 0.000 1.202 290 D HN 0.567 nan 8.370 nan 0.000 0.426 291 E N 1.550 121.829 120.200 0.131 0.000 2.297 291 E HA -0.224 4.125 4.350 -0.000 0.000 0.228 291 E C 1.213 177.736 176.600 -0.129 0.000 1.213 291 E CA 0.703 57.142 56.400 0.066 0.000 0.712 291 E CB -2.414 27.300 29.700 0.024 0.000 1.202 291 E HN 0.592 nan 8.360 nan 0.000 0.376 292 C N -1.087 118.233 119.300 0.033 0.000 2.511 292 C HA 0.005 4.464 4.460 -0.000 0.000 0.277 292 C C 2.177 177.155 174.990 -0.019 0.000 1.451 292 C CA 0.497 59.513 59.018 -0.004 0.000 1.735 292 C CB -1.178 26.595 27.740 0.056 0.000 1.704 292 C HN 0.632 nan 8.230 nan 0.000 0.571 293 H N 0.375 119.461 119.070 0.026 0.000 2.529 293 H HA 0.125 4.681 4.556 -0.000 0.000 0.277 293 H C 0.670 176.000 175.328 0.003 0.000 0.999 293 H CA 0.734 56.795 56.048 0.022 0.000 1.256 293 H CB -0.674 29.090 29.762 0.004 0.000 1.402 293 H HN 0.429 nan 8.280 nan 0.000 0.566 294 S N 1.919 117.237 115.700 -0.636 0.000 2.552 294 S HA 0.046 4.515 4.470 -0.000 0.000 0.289 294 S C 1.079 175.515 174.600 -0.273 0.000 1.304 294 S CA 0.536 58.486 58.200 -0.416 0.000 1.063 294 S CB 0.859 63.814 63.200 -0.408 0.000 0.848 294 S HN 0.688 nan 8.310 nan 0.000 0.499 295 T N -1.555 112.866 114.554 -0.221 0.000 3.215 295 T HA 0.120 4.470 4.350 -0.000 0.000 0.271 295 T C 0.097 174.574 174.700 -0.371 0.000 1.012 295 T CA -0.782 61.104 62.100 -0.356 0.000 0.899 295 T CB -0.406 68.343 68.868 -0.199 0.000 1.089 295 T HN 0.714 nan 8.240 nan 0.000 0.552 296 D N 1.527 121.752 120.400 -0.290 0.000 2.339 296 D HA 0.058 4.698 4.640 -0.000 0.000 0.245 296 D C 1.307 177.411 176.300 -0.327 0.000 1.115 296 D CA 0.004 53.854 54.000 -0.250 0.000 0.917 296 D CB 1.627 42.323 40.800 -0.173 0.000 1.192 296 D HN 0.255 nan 8.370 nan 0.000 0.428 297 S N 1.369 116.904 115.700 -0.276 0.000 2.399 297 S HA -0.184 4.286 4.470 -0.000 0.000 0.231 297 S C 1.706 176.154 174.600 -0.254 0.000 1.022 297 S CA 1.301 59.328 58.200 -0.289 0.000 0.983 297 S CB -0.714 62.351 63.200 -0.225 0.000 0.803 297 S HN 0.618 nan 8.310 nan 0.000 0.480 298 T N 2.173 116.613 114.554 -0.190 0.000 2.777 298 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 298 T C 1.986 176.538 174.700 -0.247 0.000 1.040 298 T CA 1.870 63.892 62.100 -0.130 0.000 1.141 298 T CB -0.949 67.892 68.868 -0.046 0.000 0.868 298 T HN 0.561 nan 8.240 nan 0.000 0.444 299 T N 2.183 116.501 114.554 -0.394 0.000 2.708 299 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 299 T C 1.999 176.332 174.700 -0.611 0.000 1.037 299 T CA 0.917 62.554 62.100 -0.771 0.000 1.146 299 T CB -0.421 68.022 68.868 -0.710 0.000 0.865 299 T HN 0.298 nan 8.240 nan 0.000 0.435 300 I N 0.550 120.810 120.570 -0.517 0.000 2.226 300 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 300 I C 2.273 178.133 176.117 -0.429 0.000 1.100 300 I CA 0.854 61.781 61.300 -0.622 0.000 1.374 300 I CB -0.286 37.163 38.000 -0.918 0.000 1.057 300 I HN 0.161 nan 8.210 nan 0.000 0.413 301 L N 0.943 121.968 121.223 -0.329 0.000 2.056 301 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 301 L C 2.330 179.143 176.870 -0.094 0.000 1.078 301 L CA 2.063 56.776 54.840 -0.211 0.000 0.749 301 L CB -1.291 40.650 42.059 -0.196 0.000 0.901 301 L HN 0.181 nan 8.230 nan 0.000 0.433 302 G N -0.062 108.692 108.800 -0.078 0.000 2.459 302 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 302 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 302 G C 1.653 176.648 174.900 0.159 0.000 1.183 302 G CA 1.287 46.482 45.100 0.157 0.000 0.776 302 G HN 0.462 nan 8.290 nan 0.000 0.552 303 I N 1.266 121.844 120.570 0.014 0.000 2.226 303 I HA -0.081 4.089 4.170 -0.000 0.000 0.245 303 I C 3.097 179.309 176.117 0.158 0.000 1.100 303 I CA 0.906 62.263 61.300 0.094 0.000 1.374 303 I CB -0.507 37.552 38.000 0.099 0.000 1.057 303 I HN 0.261 nan 8.210 nan 0.000 0.413 304 G N 0.360 109.277 108.800 0.196 0.000 2.440 304 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.218 304 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.218 304 G C 1.652 176.619 174.900 0.111 0.000 1.154 304 G CA 1.529 46.733 45.100 0.175 0.000 0.767 304 G HN 0.287 nan 8.290 nan 0.000 0.552 305 T N 0.769 115.392 114.554 0.115 0.000 2.708 305 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 305 T C 2.565 177.381 174.700 0.193 0.000 1.037 305 T CA 1.212 63.393 62.100 0.134 0.000 1.146 305 T CB -0.305 68.658 68.868 0.158 0.000 0.865 305 T HN 0.064 nan 8.240 nan 0.000 0.435 306 V N 1.693 121.748 119.914 0.235 0.000 2.255 306 V HA -0.165 3.954 4.120 -0.000 0.000 0.247 306 V C 2.508 178.667 176.094 0.108 0.000 1.051 306 V CA 1.644 64.038 62.300 0.157 0.000 1.018 306 V CB -0.739 31.087 31.823 0.006 0.000 0.641 306 V HN 0.439 nan 8.190 nan 0.000 0.445 307 L N -0.027 121.251 121.223 0.092 0.000 2.083 307 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 307 L C 2.296 179.194 176.870 0.047 0.000 1.083 307 L CA 2.060 56.951 54.840 0.085 0.000 0.752 307 L CB -0.593 41.504 42.059 0.063 0.000 0.899 307 L HN 0.429 nan 8.230 nan 0.000 0.433 308 D N -0.805 119.619 120.400 0.040 0.000 2.234 308 D HA -0.158 4.482 4.640 -0.000 0.000 0.205 308 D C 2.106 178.387 176.300 -0.033 0.000 0.962 308 D CA 1.019 55.020 54.000 0.003 0.000 0.855 308 D CB 0.289 41.097 40.800 0.013 0.000 0.951 308 D HN 0.311 nan 8.370 nan 0.000 0.500 309 Q N -0.887 118.909 119.800 -0.008 0.000 2.316 309 Q HA 0.324 4.664 4.340 -0.000 0.000 0.235 309 Q C 1.927 177.897 176.000 -0.049 0.000 0.863 309 Q CA 0.366 56.156 55.803 -0.021 0.000 0.939 309 Q CB 0.597 29.350 28.738 0.024 0.000 1.108 309 Q HN 0.229 nan 8.270 nan 0.000 0.522 310 A N 1.802 124.596 122.820 -0.044 0.000 1.877 310 A HA -0.270 4.049 4.320 -0.000 0.000 0.216 310 A C 1.932 179.416 177.584 -0.167 0.000 1.186 310 A CA 1.817 53.849 52.037 -0.009 0.000 0.620 310 A CB -0.450 18.647 19.000 0.161 0.000 0.822 310 A HN 0.403 nan 8.150 nan 0.000 0.443 311 E N -0.810 119.025 120.200 -0.608 0.000 2.058 311 E HA -0.176 4.173 4.350 -0.000 0.000 0.194 311 E C 1.933 178.362 176.600 -0.286 0.000 0.997 311 E CA 1.808 57.774 56.400 -0.724 0.000 0.801 311 E CB -0.220 28.800 29.700 -1.133 0.000 0.746 311 E HN 0.533 nan 8.360 nan 0.000 0.450 312 T N 0.219 114.639 114.554 -0.223 0.000 2.833 312 T HA -0.053 4.296 4.350 -0.000 0.000 0.269 312 T C 1.601 176.260 174.700 -0.069 0.000 1.054 312 T CA 1.036 63.064 62.100 -0.121 0.000 1.135 312 T CB -0.149 68.661 68.868 -0.097 0.000 0.869 312 T HN 0.306 nan 8.240 nan 0.000 0.466 313 A N 0.346 123.135 122.820 -0.051 0.000 2.235 313 A HA 0.503 4.823 4.320 -0.000 0.000 0.208 313 A C 1.894 179.481 177.584 0.005 0.000 1.172 313 A CA 0.786 52.819 52.037 -0.007 0.000 0.786 313 A CB -0.786 18.235 19.000 0.035 0.000 0.804 313 A HN 0.702 nan 8.150 nan 0.000 0.479 314 G N -2.222 106.573 108.800 -0.009 0.000 2.157 314 G HA2 0.108 4.068 3.960 -0.000 0.000 0.239 314 G HA3 0.108 4.068 3.960 -0.000 0.000 0.239 314 G C 0.416 175.348 174.900 0.052 0.000 0.982 314 G CA 0.212 45.319 45.100 0.013 0.000 0.650 314 G HN 1.554 nan 8.290 nan 0.000 0.527 315 A N -0.325 122.546 122.820 0.085 0.000 2.386 315 A HA 0.733 5.053 4.320 -0.000 0.000 0.248 315 A C 1.276 178.998 177.584 0.230 0.000 1.082 315 A CA 0.753 52.874 52.037 0.141 0.000 0.789 315 A CB 0.299 19.411 19.000 0.188 0.000 1.025 315 A HN 0.474 nan 8.150 nan 0.000 0.490 316 R N -0.329 120.226 120.500 0.092 0.000 2.279 316 R HA 0.294 4.634 4.340 -0.000 0.000 0.195 316 R C -0.829 175.354 176.300 -0.194 0.000 0.905 316 R CA 0.107 56.222 56.100 0.025 0.000 1.044 316 R CB 0.253 30.506 30.300 -0.078 0.000 1.056 316 R HN 0.516 nan 8.270 nan 0.000 0.535 317 L N 0.417 121.477 121.223 -0.271 0.000 2.526 317 L HA 0.395 4.735 4.340 -0.000 0.000 0.263 317 L C -1.576 175.077 176.870 -0.362 0.000 0.943 317 L CA -0.771 53.804 54.840 -0.443 0.000 0.859 317 L CB 2.449 44.244 42.059 -0.439 0.000 1.313 317 L HN -0.307 nan 8.230 nan 0.000 0.406 318 V N 5.292 124.954 119.914 -0.419 0.000 2.459 318 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 318 V C -0.544 175.382 176.094 -0.281 0.000 1.029 318 V CA -0.645 61.497 62.300 -0.265 0.000 0.874 318 V CB 1.927 33.660 31.823 -0.151 0.000 0.985 318 V HN 0.525 nan 8.190 nan 0.000 0.438 319 V N 6.489 126.268 119.914 -0.226 0.000 2.384 319 V HA 0.445 4.565 4.120 -0.000 0.000 0.287 319 V C -0.192 175.809 176.094 -0.156 0.000 1.020 319 V CA -0.514 61.673 62.300 -0.189 0.000 0.850 319 V CB 1.645 33.399 31.823 -0.115 0.000 0.987 319 V HN 0.635 nan 8.190 nan 0.000 0.436 320 L N 5.059 126.169 121.223 -0.189 0.000 2.270 320 L HA 0.720 5.060 4.340 -0.000 0.000 0.286 320 L C 0.427 177.316 176.870 0.033 0.000 1.059 320 L CA -0.195 54.583 54.840 -0.102 0.000 0.839 320 L CB 1.044 42.984 42.059 -0.199 0.000 1.221 320 L HN 0.724 nan 8.230 nan 0.000 0.431 321 A N 2.680 125.538 122.820 0.063 0.000 2.304 321 A HA 0.815 5.135 4.320 -0.000 0.000 0.323 321 A C -0.201 177.482 177.584 0.165 0.000 1.195 321 A CA -0.392 51.714 52.037 0.115 0.000 0.826 321 A CB 1.663 20.699 19.000 0.060 0.000 1.184 321 A HN 0.546 nan 8.150 nan 0.000 0.496 322 T N 0.192 114.865 114.554 0.199 0.000 2.886 322 T HA 0.509 4.859 4.350 -0.000 0.000 0.330 322 T C 0.489 175.226 174.700 0.061 0.000 1.488 322 T CA 0.417 62.621 62.100 0.173 0.000 1.054 322 T CB 1.245 70.254 68.868 0.234 0.000 1.348 322 T HN 1.413 nan 8.240 nan 0.000 0.489 323 A N 1.565 124.382 122.820 -0.006 0.000 2.132 323 A HA 0.340 4.660 4.320 -0.000 0.000 0.213 323 A C 1.072 178.562 177.584 -0.157 0.000 1.154 323 A CA 1.195 53.195 52.037 -0.061 0.000 0.753 323 A CB -0.188 18.786 19.000 -0.045 0.000 0.826 323 A HN 1.161 nan 8.150 nan 0.000 0.469 324 T N -1.033 113.368 114.554 -0.255 0.000 3.305 324 T HA 0.461 4.810 4.350 -0.000 0.000 0.348 324 T C -2.998 171.544 174.700 -0.263 0.000 1.394 324 T CA -1.769 60.158 62.100 -0.289 0.000 1.549 324 T CB 1.362 70.004 68.868 -0.376 0.000 0.962 324 T HN 0.085 nan 8.240 nan 0.000 0.609 325 P HA 0.349 nan 4.420 nan 0.000 0.273 325 P C -2.783 174.431 177.300 -0.142 0.000 1.250 325 P CA -1.643 61.295 63.100 -0.270 0.000 0.793 325 P CB -0.458 30.863 31.700 -0.632 0.000 1.011 326 P HA 0.075 nan 4.420 nan 0.000 0.264 326 P C 0.986 178.210 177.300 -0.127 0.000 1.193 326 P CA 1.460 64.520 63.100 -0.067 0.000 0.763 326 P CB -0.313 31.335 31.700 -0.088 0.000 0.810 327 G N 1.735 110.509 108.800 -0.043 0.000 2.194 327 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.236 327 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.236 327 G C 0.355 175.271 174.900 0.028 0.000 0.987 327 G CA 0.182 45.280 45.100 -0.003 0.000 0.635 327 G HN 0.786 nan 8.290 nan 0.000 0.520 328 S N -0.320 115.368 115.700 -0.019 0.000 2.585 328 S HA 0.727 5.197 4.470 -0.000 0.000 0.273 328 S C 0.339 174.933 174.600 -0.009 0.000 1.339 328 S CA 0.194 58.372 58.200 -0.038 0.000 1.028 328 S CB 2.113 65.257 63.200 -0.095 0.000 0.906 328 S HN 1.916 nan 8.310 nan 0.000 0.528 329 V N -1.034 118.870 119.914 -0.015 0.000 2.876 329 V HA 0.687 4.807 4.120 -0.000 0.000 0.312 329 V C -0.099 175.976 176.094 -0.032 0.000 1.085 329 V CA -0.859 61.434 62.300 -0.012 0.000 0.945 329 V CB 1.256 33.084 31.823 0.008 0.000 1.017 329 V HN 0.919 nan 8.190 nan 0.000 0.428 330 T N 3.873 118.402 114.554 -0.043 0.000 2.901 330 T HA 0.526 4.876 4.350 -0.000 0.000 0.301 330 T C 0.134 174.809 174.700 -0.041 0.000 1.012 330 T CA 0.238 62.303 62.100 -0.057 0.000 1.135 330 T CB 0.936 69.753 68.868 -0.086 0.000 0.936 330 T HN 1.411 nan 8.240 nan 0.000 0.539 331 V N 1.611 121.504 119.914 -0.034 0.000 3.019 331 V HA 0.755 4.875 4.120 -0.000 0.000 0.317 331 V C -2.699 173.390 176.094 -0.008 0.000 1.094 331 V CA -2.923 59.365 62.300 -0.021 0.000 1.000 331 V CB 0.751 32.562 31.823 -0.020 0.000 1.060 331 V HN 0.553 nan 8.190 nan 0.000 0.443 332 P HA 0.180 nan 4.420 nan 0.000 0.266 332 P C -0.892 176.442 177.300 0.057 0.000 1.195 332 P CA 0.381 63.504 63.100 0.037 0.000 0.768 332 P CB 0.016 31.737 31.700 0.035 0.000 0.838 333 H N 4.713 123.777 119.070 -0.009 0.000 2.476 333 H HA 0.190 4.746 4.556 -0.000 0.000 0.328 333 H C -1.632 173.704 175.328 0.013 0.000 1.073 333 H CA -2.286 53.759 56.048 -0.005 0.000 1.229 333 H CB 1.591 31.343 29.762 -0.015 0.000 1.432 333 H HN 0.255 nan 8.280 nan 0.000 0.477 334 P HA -0.136 nan 4.420 nan 0.000 0.219 334 P C 0.693 178.121 177.300 0.212 0.000 1.146 334 P CA 0.993 64.155 63.100 0.104 0.000 0.808 334 P CB 0.602 32.301 31.700 -0.001 0.000 0.779 335 N N -0.690 118.283 118.700 0.456 0.000 2.235 335 N HA 0.185 4.924 4.740 -0.000 0.000 0.209 335 N C -0.251 175.311 175.510 0.087 0.000 1.122 335 N CA -0.076 53.119 53.050 0.241 0.000 0.845 335 N CB -0.118 38.511 38.487 0.237 0.000 1.004 335 N HN 0.131 nan 8.380 nan 0.000 0.499 336 I N 0.537 121.169 120.570 0.102 0.000 2.468 336 I HA 0.184 4.353 4.170 -0.000 0.000 0.284 336 I C -0.307 175.878 176.117 0.112 0.000 1.038 336 I CA -0.766 60.557 61.300 0.039 0.000 1.083 336 I CB 2.029 39.984 38.000 -0.074 0.000 1.223 336 I HN -0.012 nan 8.210 nan 0.000 0.443 337 E N 6.878 127.148 120.200 0.118 0.000 2.259 337 E HA 0.218 4.568 4.350 -0.000 0.000 0.281 337 E C -0.758 175.957 176.600 0.192 0.000 1.037 337 E CA -0.323 56.157 56.400 0.133 0.000 0.854 337 E CB 0.941 30.701 29.700 0.101 0.000 1.051 337 E HN 0.515 nan 8.360 nan 0.000 0.409 338 E N 3.144 123.486 120.200 0.236 0.000 2.133 338 E HA 0.332 4.682 4.350 -0.000 0.000 0.274 338 E C -1.138 175.659 176.600 0.329 0.000 0.930 338 E CA -0.756 55.874 56.400 0.383 0.000 0.770 338 E CB 2.079 32.056 29.700 0.461 0.000 1.104 338 E HN 0.206 nan 8.360 nan 0.000 0.403 339 V N 2.249 122.273 119.914 0.183 0.000 2.443 339 V HA 0.385 4.505 4.120 -0.000 0.000 0.293 339 V C 0.102 175.883 176.094 -0.521 0.000 1.021 339 V CA -0.988 61.275 62.300 -0.062 0.000 0.848 339 V CB 1.524 33.307 31.823 -0.066 0.000 0.998 339 V HN 0.820 nan 8.190 nan 0.000 0.424 340 A N 5.725 128.104 122.820 -0.736 0.000 2.511 340 A HA 0.504 4.824 4.320 -0.000 0.000 0.242 340 A C 0.070 177.314 177.584 -0.566 0.000 1.069 340 A CA -0.039 51.310 52.037 -1.146 0.000 0.763 340 A CB -0.001 18.664 19.000 -0.558 0.000 1.001 340 A HN 0.841 nan 8.150 nan 0.000 0.498 341 L N 2.474 123.402 121.223 -0.492 0.000 2.461 341 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 341 L C 1.210 177.995 176.870 -0.141 0.000 1.197 341 L CA 0.077 54.783 54.840 -0.225 0.000 0.836 341 L CB 0.753 42.747 42.059 -0.109 0.000 1.105 341 L HN 0.995 nan 8.230 nan 0.000 0.477 342 S N 0.591 116.240 115.700 -0.085 0.000 2.795 342 S HA 0.325 4.795 4.470 -0.000 0.000 0.308 342 S C 0.329 174.918 174.600 -0.019 0.000 1.098 342 S CA -0.795 57.376 58.200 -0.048 0.000 0.934 342 S CB 1.109 64.281 63.200 -0.046 0.000 1.300 342 S HN 0.601 nan 8.310 nan 0.000 0.566 343 N N 0.534 119.228 118.700 -0.010 0.000 2.353 343 N HA 0.122 4.861 4.740 -0.000 0.000 0.185 343 N C -0.012 175.497 175.510 -0.001 0.000 1.098 343 N CA 0.552 53.603 53.050 0.002 0.000 0.872 343 N CB 0.324 38.814 38.487 0.004 0.000 0.970 343 N HN 0.759 nan 8.380 nan 0.000 0.467 344 T N -0.930 113.618 114.554 -0.010 0.000 2.806 344 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 344 T C 0.187 174.877 174.700 -0.017 0.000 0.966 344 T CA -0.389 61.703 62.100 -0.012 0.000 1.060 344 T CB 1.218 70.077 68.868 -0.015 0.000 0.927 344 T HN 0.149 nan 8.240 nan 0.000 0.485 345 G N 3.300 112.092 108.800 -0.013 0.000 2.368 345 G HA2 0.263 4.223 3.960 -0.000 0.000 0.303 345 G HA3 0.263 4.223 3.960 -0.000 0.000 0.303 345 G C -0.305 174.589 174.900 -0.009 0.000 1.590 345 G CA -0.644 44.446 45.100 -0.018 0.000 0.938 345 G HN 0.514 nan 8.290 nan 0.000 0.675 346 E N -0.593 119.599 120.200 -0.015 0.000 2.285 346 E HA 0.153 4.503 4.350 -0.000 0.000 0.194 346 E C 0.893 177.494 176.600 0.001 0.000 0.997 346 E CA 0.759 57.154 56.400 -0.008 0.000 0.845 346 E CB 0.186 29.877 29.700 -0.014 0.000 0.782 346 E HN 0.501 nan 8.360 nan 0.000 0.491 347 I N 1.686 122.258 120.570 0.004 0.000 2.390 347 I HA 0.258 4.427 4.170 -0.000 0.000 0.283 347 I C -2.438 173.721 176.117 0.069 0.000 1.016 347 I CA -2.637 58.677 61.300 0.025 0.000 1.151 347 I CB 1.624 39.627 38.000 0.004 0.000 1.293 347 I HN -0.260 nan 8.210 nan 0.000 0.458 348 P HA 0.092 nan 4.420 nan 0.000 0.268 348 P C -0.935 176.483 177.300 0.198 0.000 1.205 348 P CA 0.101 63.257 63.100 0.094 0.000 0.771 348 P CB 0.322 32.044 31.700 0.037 0.000 0.858 349 F N 4.517 124.484 119.950 0.028 0.000 3.051 349 F HA 0.275 4.801 4.527 -0.000 0.000 0.363 349 F C -0.767 175.155 175.800 0.203 0.000 1.257 349 F CA -0.575 57.493 58.000 0.113 0.000 1.126 349 F CB 0.357 39.435 39.000 0.130 0.000 1.476 349 F HN 0.272 nan 8.300 nan 0.000 0.576 350 Y N 4.031 124.104 120.300 -0.378 0.000 3.108 350 Y HA -0.143 4.407 4.550 -0.000 0.000 0.208 350 Y C 1.435 177.254 175.900 -0.136 0.000 1.245 350 Y CA 1.420 59.325 58.100 -0.324 0.000 1.171 350 Y CB -1.226 36.922 38.460 -0.520 0.000 1.331 350 Y HN 1.131 nan 8.280 nan 0.000 0.534 351 G N -2.083 106.718 108.800 0.002 0.000 2.241 351 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.244 351 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.244 351 G C 0.718 175.646 174.900 0.046 0.000 0.998 351 G CA 0.430 45.542 45.100 0.020 0.000 0.621 351 G HN 0.298 nan 8.290 nan 0.000 0.519 352 K N 0.071 120.524 120.400 0.088 0.000 2.401 352 K HA 0.959 5.279 4.320 -0.000 0.000 0.255 352 K C 0.138 176.808 176.600 0.117 0.000 1.062 352 K CA 0.113 56.456 56.287 0.094 0.000 0.999 352 K CB 1.169 33.734 32.500 0.108 0.000 1.415 352 K HN 1.061 nan 8.250 nan 0.000 0.576 353 A N 0.391 123.268 122.820 0.095 0.000 2.572 353 A HA 0.698 5.018 4.320 -0.000 0.000 0.295 353 A C -1.189 176.412 177.584 0.027 0.000 1.072 353 A CA -0.679 51.404 52.037 0.077 0.000 0.691 353 A CB 0.899 19.919 19.000 0.033 0.000 1.291 353 A HN 0.489 nan 8.150 nan 0.000 0.404 354 I N 2.053 122.621 120.570 -0.003 0.000 2.362 354 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 354 I C -2.424 173.649 176.117 -0.073 0.000 0.994 354 I CA -2.212 59.038 61.300 -0.084 0.000 1.158 354 I CB 2.207 40.111 38.000 -0.160 0.000 1.315 354 I HN 0.325 nan 8.210 nan 0.000 0.451 355 P HA 0.134 nan 4.420 nan 0.000 0.271 355 P C 0.922 178.171 177.300 -0.086 0.000 1.220 355 P CA -0.006 63.053 63.100 -0.069 0.000 0.768 355 P CB 0.978 32.638 31.700 -0.067 0.000 0.848 356 I N 2.942 123.472 120.570 -0.066 0.000 2.335 356 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 356 I C 1.485 177.554 176.117 -0.080 0.000 1.129 356 I CA 1.517 62.775 61.300 -0.070 0.000 1.402 356 I CB 0.118 38.092 38.000 -0.044 0.000 1.069 356 I HN 0.321 nan 8.210 nan 0.000 0.424 357 E N 1.021 121.180 120.200 -0.067 0.000 2.204 357 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 357 E C 2.101 178.646 176.600 -0.092 0.000 0.990 357 E CA 1.199 57.563 56.400 -0.060 0.000 0.821 357 E CB -0.388 29.287 29.700 -0.042 0.000 0.750 357 E HN 0.636 nan 8.360 nan 0.000 0.477 358 A N 1.144 123.884 122.820 -0.134 0.000 2.119 358 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 358 A C 2.046 179.384 177.584 -0.411 0.000 1.153 358 A CA 0.872 52.791 52.037 -0.196 0.000 0.692 358 A CB -0.410 18.480 19.000 -0.183 0.000 0.799 358 A HN 0.369 nan 8.150 nan 0.000 0.458 359 I N -5.170 115.167 120.570 -0.388 0.000 4.442 359 I HA 0.376 4.546 4.170 -0.000 0.000 0.331 359 I C 0.527 176.535 176.117 -0.182 0.000 1.364 359 I CA -0.505 60.446 61.300 -0.582 0.000 1.207 359 I CB 0.295 38.059 38.000 -0.392 0.000 1.298 359 I HN 0.016 nan 8.210 nan 0.000 0.463 360 R N 2.832 123.277 120.500 -0.091 0.000 2.248 360 R HA 0.552 4.892 4.340 -0.000 0.000 0.337 360 R C 0.241 176.572 176.300 0.052 0.000 1.085 360 R CA 0.836 56.932 56.100 -0.006 0.000 0.934 360 R CB 0.096 30.386 30.300 -0.016 0.000 1.034 360 R HN 0.541 nan 8.270 nan 0.000 0.465 361 G N 2.113 110.968 108.800 0.092 0.000 2.721 361 G HA2 0.259 4.219 3.960 -0.000 0.000 0.686 361 G HA3 0.259 4.219 3.960 -0.000 0.000 0.686 361 G C 0.114 175.138 174.900 0.205 0.000 1.236 361 G CA -0.564 44.600 45.100 0.107 0.000 0.786 361 G HN 1.260 nan 8.290 nan 0.000 0.616 362 G N 0.419 109.276 108.800 0.094 0.000 2.760 362 G HA2 0.233 4.193 3.960 -0.000 0.000 0.246 362 G HA3 0.233 4.193 3.960 -0.000 0.000 0.246 362 G C -0.289 174.502 174.900 -0.182 0.000 1.359 362 G CA 0.296 45.376 45.100 -0.034 0.000 0.861 362 G HN 1.441 nan 8.290 nan 0.000 0.541 363 R N 0.622 120.864 120.500 -0.431 0.000 2.393 363 R HA 0.576 4.916 4.340 -0.000 0.000 0.315 363 R C -0.649 175.443 176.300 -0.347 0.000 0.952 363 R CA -0.803 55.169 56.100 -0.212 0.000 0.842 363 R CB 1.410 31.675 30.300 -0.059 0.000 1.163 363 R HN 0.637 nan 8.270 nan 0.000 0.450 364 H N 2.365 121.548 119.070 0.188 0.000 2.768 364 H HA 0.378 4.934 4.556 -0.000 0.000 0.371 364 H C -1.197 173.940 175.328 -0.319 0.000 1.151 364 H CA -0.988 55.067 56.048 0.011 0.000 1.165 364 H CB 2.649 32.383 29.762 -0.046 0.000 1.722 364 H HN 0.222 nan 8.280 nan 0.000 0.543 365 L N 2.943 123.915 121.223 -0.418 0.000 2.356 365 L HA 0.498 4.838 4.340 -0.000 0.000 0.277 365 L C -1.264 175.336 176.870 -0.450 0.000 0.996 365 L CA -0.401 53.961 54.840 -0.797 0.000 0.822 365 L CB 0.997 42.273 42.059 -1.304 0.000 1.256 365 L HN 0.511 nan 8.230 nan 0.000 0.413 366 I N 5.342 125.665 120.570 -0.412 0.000 2.382 366 I HA 0.305 4.475 4.170 -0.000 0.000 0.286 366 I C -1.003 175.015 176.117 -0.165 0.000 1.002 366 I CA -0.408 60.752 61.300 -0.235 0.000 1.135 366 I CB 1.255 39.142 38.000 -0.189 0.000 1.288 366 I HN 0.453 nan 8.210 nan 0.000 0.448 367 F N 4.964 124.969 119.950 0.092 0.000 2.424 367 F HA 0.327 4.853 4.527 -0.000 0.000 0.356 367 F C 0.522 176.459 175.800 0.228 0.000 1.110 367 F CA -0.098 57.988 58.000 0.142 0.000 1.161 367 F CB 0.871 39.944 39.000 0.122 0.000 1.115 367 F HN 0.399 nan 8.300 nan 0.000 0.507 368 C N 3.275 122.813 119.300 0.397 0.000 2.486 368 C HA 0.254 4.713 4.460 -0.000 0.000 0.348 368 C C 1.752 176.925 174.990 0.305 0.000 1.203 368 C CA -0.546 58.703 59.018 0.384 0.000 1.911 368 C CB 1.404 29.382 27.740 0.397 0.000 2.340 368 C HN 0.925 nan 8.230 nan 0.000 0.511 369 H N 0.341 119.532 119.070 0.201 0.000 2.502 369 H HA 0.046 4.602 4.556 -0.000 0.000 0.283 369 H C 0.499 175.894 175.328 0.112 0.000 1.015 369 H CA 1.276 57.403 56.048 0.131 0.000 1.298 369 H CB 0.016 29.846 29.762 0.113 0.000 1.411 369 H HN 0.605 nan 8.280 nan 0.000 0.556 370 S N 0.200 115.592 115.700 -0.514 0.000 2.599 370 S HA 0.313 4.783 4.470 -0.000 0.000 0.287 370 S C 0.955 175.393 174.600 -0.270 0.000 1.105 370 S CA -0.577 57.351 58.200 -0.453 0.000 0.899 370 S CB 3.059 65.860 63.200 -0.666 0.000 1.100 370 S HN 0.408 nan 8.310 nan 0.000 0.482 371 K N 1.473 121.658 120.400 -0.358 0.000 2.097 371 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 371 K C 1.816 178.177 176.600 -0.398 0.000 1.049 371 K CA 1.315 57.222 56.287 -0.632 0.000 0.933 371 K CB -0.345 31.358 32.500 -1.329 0.000 0.717 371 K HN 0.595 nan 8.250 nan 0.000 0.442 372 K N 1.254 121.480 120.400 -0.290 0.000 2.032 372 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 372 K C 2.065 178.613 176.600 -0.087 0.000 1.048 372 K CA 1.348 57.537 56.287 -0.163 0.000 0.927 372 K CB 0.113 32.535 32.500 -0.131 0.000 0.712 372 K HN -0.019 nan 8.250 nan 0.000 0.441 373 K N 0.593 120.938 120.400 -0.091 0.000 2.097 373 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 373 K C 2.244 178.884 176.600 0.067 0.000 1.049 373 K CA 1.230 57.514 56.287 -0.005 0.000 0.933 373 K CB -0.680 31.851 32.500 0.052 0.000 0.717 373 K HN 0.314 nan 8.250 nan 0.000 0.442 374 C N 1.378 120.724 119.300 0.077 0.000 2.436 374 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 374 C C 2.314 177.391 174.990 0.145 0.000 1.241 374 C CA 0.669 59.779 59.018 0.154 0.000 1.721 374 C CB -0.706 27.189 27.740 0.258 0.000 2.043 374 C HN 0.488 nan 8.230 nan 0.000 0.472 375 D N 0.536 121.019 120.400 0.139 0.000 2.104 375 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 375 D C 2.086 178.428 176.300 0.069 0.000 0.994 375 D CA 1.344 55.416 54.000 0.120 0.000 0.830 375 D CB -0.501 40.355 40.800 0.092 0.000 0.959 375 D HN 0.620 nan 8.370 nan 0.000 0.452 376 E N -0.047 120.180 120.200 0.046 0.000 2.031 376 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 376 E C 2.100 178.727 176.600 0.045 0.000 0.994 376 E CA 0.427 56.846 56.400 0.032 0.000 0.800 376 E CB -0.139 29.567 29.700 0.010 0.000 0.752 376 E HN 0.080 nan 8.360 nan 0.000 0.447 377 L N 1.008 122.272 121.223 0.069 0.000 2.046 377 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 377 L C 2.177 179.082 176.870 0.059 0.000 1.077 377 L CA 2.029 56.919 54.840 0.084 0.000 0.747 377 L CB -0.680 41.469 42.059 0.149 0.000 0.896 377 L HN 0.065 nan 8.230 nan 0.000 0.432 378 A N -0.613 122.243 122.820 0.060 0.000 1.933 378 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 378 A C 2.444 180.046 177.584 0.030 0.000 1.175 378 A CA 1.815 53.876 52.037 0.040 0.000 0.628 378 A CB -1.099 17.927 19.000 0.044 0.000 0.814 378 A HN 0.576 nan 8.150 nan 0.000 0.444 379 A N -0.042 122.799 122.820 0.034 0.000 1.873 379 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 379 A C 2.122 179.718 177.584 0.020 0.000 1.186 379 A CA 2.028 54.081 52.037 0.025 0.000 0.616 379 A CB -0.515 18.500 19.000 0.026 0.000 0.823 379 A HN 0.571 nan 8.150 nan 0.000 0.442 380 K N -0.130 120.283 120.400 0.022 0.000 2.020 380 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 380 K C 1.900 178.507 176.600 0.013 0.000 1.050 380 K CA 1.822 58.120 56.287 0.018 0.000 0.929 380 K CB -0.429 32.085 32.500 0.023 0.000 0.714 380 K HN 0.454 nan 8.250 nan 0.000 0.443 381 L N 0.641 121.872 121.223 0.013 0.000 2.042 381 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 381 L C 2.565 179.438 176.870 0.005 0.000 1.076 381 L CA 1.322 56.165 54.840 0.004 0.000 0.749 381 L CB -0.500 41.558 42.059 -0.001 0.000 0.893 381 L HN 0.228 nan 8.230 nan 0.000 0.432 382 S N 0.155 115.860 115.700 0.008 0.000 2.370 382 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 382 S C 2.011 176.615 174.600 0.007 0.000 1.033 382 S CA 1.321 59.526 58.200 0.008 0.000 1.011 382 S CB -0.570 62.636 63.200 0.010 0.000 0.852 382 S HN 0.633 nan 8.310 nan 0.000 0.457 383 G N 1.060 109.864 108.800 0.007 0.000 2.443 383 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.219 383 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.219 383 G C 0.976 175.878 174.900 0.004 0.000 1.131 383 G CA 0.332 45.436 45.100 0.006 0.000 0.775 383 G HN 0.486 nan 8.290 nan 0.000 0.547 384 L N 0.761 121.985 121.223 0.003 0.000 2.645 384 L HA 0.275 4.615 4.340 -0.000 0.000 0.234 384 L C 1.922 178.792 176.870 0.000 0.000 1.165 384 L CA 0.225 55.065 54.840 0.000 0.000 0.944 384 L CB -0.233 41.824 42.059 -0.003 0.000 1.149 384 L HN 0.306 nan 8.230 nan 0.000 0.446 385 G N 0.979 109.781 108.800 0.003 0.000 2.166 385 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 385 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 385 G C 0.238 175.141 174.900 0.005 0.000 0.986 385 G CA 0.064 45.166 45.100 0.004 0.000 0.683 385 G HN 0.368 nan 8.290 nan 0.000 0.527 386 I N 0.772 121.344 120.570 0.004 0.000 2.416 386 I HA 0.149 4.319 4.170 -0.000 0.000 0.288 386 I C 0.708 176.831 176.117 0.009 0.000 1.051 386 I CA -0.724 60.580 61.300 0.006 0.000 1.375 386 I CB 0.921 38.920 38.000 -0.001 0.000 1.407 386 I HN 0.127 nan 8.210 nan 0.000 0.516 387 N N 5.763 124.472 118.700 0.015 0.000 2.416 387 N HA 0.354 5.094 4.740 -0.000 0.000 0.271 387 N C -0.904 174.613 175.510 0.012 0.000 1.245 387 N CA 0.169 53.227 53.050 0.013 0.000 0.940 387 N CB 0.362 38.859 38.487 0.016 0.000 1.175 387 N HN 0.685 nan 8.380 nan 0.000 0.483 388 A N 2.536 125.359 122.820 0.005 0.000 2.449 388 A HA 0.682 5.002 4.320 -0.000 0.000 0.302 388 A C -0.965 176.616 177.584 -0.006 0.000 1.048 388 A CA -0.670 51.366 52.037 -0.001 0.000 0.708 388 A CB 1.260 20.260 19.000 -0.000 0.000 1.274 388 A HN 0.593 nan 8.150 nan 0.000 0.410 389 V N -1.145 118.759 119.914 -0.018 0.000 2.841 389 V HA 0.950 5.070 4.120 -0.000 0.000 0.310 389 V C -0.038 176.040 176.094 -0.025 0.000 1.090 389 V CA -0.400 61.887 62.300 -0.023 0.000 0.930 389 V CB 1.231 33.033 31.823 -0.036 0.000 1.014 389 V HN 1.985 nan 8.190 nan 0.000 0.425 390 A N 3.588 126.394 122.820 -0.024 0.000 2.301 390 A HA 0.842 5.162 4.320 -0.000 0.000 0.312 390 A C -1.174 176.334 177.584 -0.127 0.000 1.182 390 A CA -0.550 51.476 52.037 -0.019 0.000 0.826 390 A CB 0.881 19.923 19.000 0.070 0.000 1.134 390 A HN 1.579 nan 8.150 nan 0.000 0.501 391 Y N 2.628 122.791 120.300 -0.228 0.000 2.442 391 Y HA 0.634 5.184 4.550 -0.000 0.000 0.344 391 Y C -1.132 174.665 175.900 -0.172 0.000 0.976 391 Y CA -0.766 57.141 58.100 -0.322 0.000 1.040 391 Y CB 1.543 39.874 38.460 -0.215 0.000 1.228 391 Y HN 0.859 nan 8.280 nan 0.000 0.451 392 Y N 2.018 121.794 120.300 -0.874 0.000 2.818 392 Y HA 0.443 4.993 4.550 -0.000 0.000 0.341 392 Y C -1.040 174.483 175.900 -0.629 0.000 1.283 392 Y CA -1.999 55.752 58.100 -0.582 0.000 1.075 392 Y CB 0.512 38.834 38.460 -0.230 0.000 1.370 392 Y HN 0.682 nan 8.280 nan 0.000 0.448 393 R N 0.880 121.358 120.500 -0.037 0.000 2.537 393 R HA 0.340 4.679 4.340 -0.000 0.000 0.281 393 R C 1.038 177.346 176.300 0.012 0.000 0.988 393 R CA 2.158 58.236 56.100 -0.036 0.000 1.077 393 R CB -0.394 29.915 30.300 0.015 0.000 0.932 393 R HN 1.503 nan 8.270 nan 0.000 0.409 394 G N 3.325 112.108 108.800 -0.027 0.000 2.234 394 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.235 394 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.235 394 G C 0.056 174.938 174.900 -0.031 0.000 0.997 394 G CA -0.035 45.069 45.100 0.006 0.000 0.623 394 G HN 0.482 nan 8.290 nan 0.000 0.514 395 L N 1.240 122.371 121.223 -0.154 0.000 2.357 395 L HA 0.502 4.841 4.340 -0.000 0.000 0.273 395 L C 0.385 177.267 176.870 0.021 0.000 1.080 395 L CA -0.712 54.038 54.840 -0.150 0.000 0.803 395 L CB 1.147 42.973 42.059 -0.389 0.000 1.174 395 L HN 0.240 nan 8.230 nan 0.000 0.443 396 D N 0.866 121.302 120.400 0.060 0.000 2.389 396 D HA 0.004 4.644 4.640 -0.000 0.000 0.247 396 D C 0.793 177.204 176.300 0.185 0.000 1.128 396 D CA -0.075 53.994 54.000 0.114 0.000 0.884 396 D CB 1.663 42.502 40.800 0.065 0.000 1.194 396 D HN 0.261 nan 8.370 nan 0.000 0.441 397 V N 3.339 123.370 119.914 0.196 0.000 2.828 397 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 397 V C 1.866 177.972 176.094 0.019 0.000 1.101 397 V CA 2.374 64.715 62.300 0.069 0.000 1.123 397 V CB -0.764 31.074 31.823 0.025 0.000 0.704 397 V HN 0.752 nan 8.190 nan 0.000 0.493 398 S N 0.056 115.782 115.700 0.044 0.000 2.469 398 S HA -0.142 4.327 4.470 -0.000 0.000 0.238 398 S C 1.881 176.484 174.600 0.006 0.000 0.998 398 S CA 1.399 59.613 58.200 0.024 0.000 0.957 398 S CB -0.713 62.502 63.200 0.025 0.000 0.764 398 S HN 0.878 nan 8.310 nan 0.000 0.514 399 V N -0.438 119.482 119.914 0.010 0.000 2.720 399 V HA 0.187 4.307 4.120 -0.000 0.000 0.256 399 V C 1.060 177.127 176.094 -0.045 0.000 1.082 399 V CA 0.686 62.981 62.300 -0.008 0.000 1.101 399 V CB -1.177 30.648 31.823 0.002 0.000 0.693 399 V HN 0.548 nan 8.190 nan 0.000 0.479 400 I N 3.851 124.361 120.570 -0.100 0.000 2.337 400 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 400 I C -2.045 174.031 176.117 -0.068 0.000 1.046 400 I CA -1.909 59.292 61.300 -0.165 0.000 1.324 400 I CB 1.142 38.860 38.000 -0.470 0.000 1.409 400 I HN 0.158 nan 8.210 nan 0.000 0.494 401 P HA 0.074 nan 4.420 nan 0.000 0.276 401 P C 0.642 177.952 177.300 0.017 0.000 1.235 401 P CA -0.247 62.850 63.100 -0.004 0.000 0.772 401 P CB 0.865 32.563 31.700 -0.004 0.000 0.871 402 T N 0.563 115.137 114.554 0.033 0.000 3.113 402 T HA 0.173 4.523 4.350 -0.000 0.000 0.256 402 T C 0.721 175.411 174.700 -0.016 0.000 1.131 402 T CA 0.362 62.485 62.100 0.039 0.000 1.074 402 T CB -0.230 68.651 68.868 0.022 0.000 0.944 402 T HN 0.325 nan 8.240 nan 0.000 0.516 403 I N -0.207 120.353 120.570 -0.017 0.000 2.913 403 I HA 0.634 4.804 4.170 -0.000 0.000 0.302 403 I C -0.189 175.916 176.117 -0.019 0.000 1.246 403 I CA 0.453 61.736 61.300 -0.029 0.000 1.010 403 I CB 1.773 39.756 38.000 -0.028 0.000 1.259 403 I HN 0.519 nan 8.210 nan 0.000 0.434 404 G N 4.133 112.920 108.800 -0.022 0.000 2.662 404 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.686 404 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.686 404 G C -1.349 173.548 174.900 -0.005 0.000 1.271 404 G CA -0.769 44.325 45.100 -0.011 0.000 0.816 404 G HN 0.715 nan 8.290 nan 0.000 0.608 405 D N -0.593 119.810 120.400 0.004 0.000 2.493 405 D HA 0.400 5.040 4.640 -0.000 0.000 0.240 405 D C 0.454 176.773 176.300 0.031 0.000 1.142 405 D CA 1.158 55.170 54.000 0.020 0.000 0.872 405 D CB 1.649 42.468 40.800 0.031 0.000 1.173 405 D HN 1.023 nan 8.370 nan 0.000 0.467 406 V N 2.452 122.398 119.914 0.052 0.000 3.167 406 V HA 0.291 4.411 4.120 -0.000 0.000 0.293 406 V C -1.456 174.691 176.094 0.089 0.000 1.379 406 V CA -0.678 61.658 62.300 0.059 0.000 1.019 406 V CB 2.480 34.332 31.823 0.047 0.000 1.115 406 V HN 0.218 nan 8.190 nan 0.000 0.442 407 V N 5.840 125.785 119.914 0.051 0.000 2.378 407 V HA 0.500 4.620 4.120 -0.000 0.000 0.288 407 V C -0.222 175.838 176.094 -0.056 0.000 1.016 407 V CA -0.570 61.740 62.300 0.017 0.000 0.840 407 V CB 1.659 33.486 31.823 0.006 0.000 0.994 407 V HN 0.637 nan 8.190 nan 0.000 0.431 408 V N 6.098 125.920 119.914 -0.152 0.000 2.407 408 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 408 V C -0.019 175.934 176.094 -0.235 0.000 1.037 408 V CA -0.404 61.770 62.300 -0.210 0.000 0.900 408 V CB 1.804 33.424 31.823 -0.338 0.000 0.983 408 V HN 0.616 nan 8.190 nan 0.000 0.459 409 V N 4.903 124.745 119.914 -0.120 0.000 2.334 409 V HA 0.848 4.968 4.120 -0.000 0.000 0.281 409 V C 0.281 176.372 176.094 -0.004 0.000 1.016 409 V CA -0.236 62.027 62.300 -0.061 0.000 0.832 409 V CB 1.053 32.892 31.823 0.028 0.000 0.999 409 V HN 1.001 nan 8.190 nan 0.000 0.439 410 A N 3.579 126.373 122.820 -0.044 0.000 2.515 410 A HA 0.949 5.269 4.320 -0.000 0.000 0.296 410 A C 0.056 177.749 177.584 0.182 0.000 1.094 410 A CA -0.258 51.815 52.037 0.060 0.000 0.718 410 A CB 1.996 20.979 19.000 -0.028 0.000 1.307 410 A HN 0.792 nan 8.150 nan 0.000 0.408 411 T N -1.797 112.919 114.554 0.269 0.000 2.852 411 T HA 0.358 4.708 4.350 -0.000 0.000 0.281 411 T C 0.116 175.070 174.700 0.423 0.000 0.993 411 T CA 0.018 62.306 62.100 0.313 0.000 0.933 411 T CB 0.406 69.391 68.868 0.195 0.000 1.187 411 T HN 0.398 nan 8.240 nan 0.000 0.559 412 D N 0.106 120.708 120.400 0.336 0.000 2.384 412 D HA 0.020 4.659 4.640 -0.000 0.000 0.222 412 D C 2.167 178.629 176.300 0.269 0.000 0.976 412 D CA 0.969 55.140 54.000 0.284 0.000 0.915 412 D CB -0.614 40.260 40.800 0.124 0.000 0.896 412 D HN 0.695 nan 8.370 nan 0.000 0.523 413 A N 0.753 123.728 122.820 0.258 0.000 1.986 413 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 413 A C 2.164 180.004 177.584 0.428 0.000 1.171 413 A CA 0.834 53.032 52.037 0.267 0.000 0.640 413 A CB -0.654 18.445 19.000 0.166 0.000 0.811 413 A HN 0.292 nan 8.150 nan 0.000 0.451 414 L N -1.656 119.862 121.223 0.492 0.000 2.081 414 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 414 L C 2.423 179.481 176.870 0.314 0.000 1.080 414 L CA 2.262 57.336 54.840 0.389 0.000 0.754 414 L CB -0.283 41.959 42.059 0.304 0.000 0.893 414 L HN 0.390 nan 8.230 nan 0.000 0.433 415 M N -1.107 118.677 119.600 0.307 0.000 2.213 415 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 415 M C 1.945 178.340 176.300 0.157 0.000 1.062 415 M CA 2.227 57.663 55.300 0.227 0.000 1.105 415 M CB -0.451 32.256 32.600 0.179 0.000 1.385 415 M HN 0.541 nan 8.290 nan 0.000 0.417 416 T N -5.322 109.327 114.554 0.158 0.000 3.001 416 T HA 0.310 4.660 4.350 -0.000 0.000 0.251 416 T C 1.662 176.429 174.700 0.112 0.000 1.040 416 T CA 0.363 62.530 62.100 0.110 0.000 0.985 416 T CB -0.218 68.707 68.868 0.096 0.000 1.011 416 T HN 0.345 nan 8.240 nan 0.000 0.509 417 G N -0.288 108.616 108.800 0.174 0.000 2.796 417 G HA2 0.292 4.252 3.960 -0.000 0.000 0.210 417 G HA3 0.292 4.252 3.960 -0.000 0.000 0.210 417 G C -0.251 174.699 174.900 0.083 0.000 1.146 417 G CA -0.146 45.055 45.100 0.168 0.000 0.779 417 G HN 0.537 nan 8.290 nan 0.000 0.535 418 Y N 0.933 121.178 120.300 -0.093 0.000 2.433 418 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 418 Y C -0.969 174.883 175.900 -0.079 0.000 1.026 418 Y CA -0.954 57.060 58.100 -0.143 0.000 1.037 418 Y CB 1.721 40.035 38.460 -0.243 0.000 1.245 418 Y HN -0.098 nan 8.280 nan 0.000 0.443 419 T N 4.469 118.578 114.554 -0.743 0.000 2.795 419 T HA 0.779 5.129 4.350 -0.000 0.000 0.282 419 T C -0.375 173.722 174.700 -1.006 0.000 0.980 419 T CA 0.066 61.792 62.100 -0.624 0.000 1.012 419 T CB 0.951 69.556 68.868 -0.439 0.000 0.936 419 T HN 1.100 nan 8.240 nan 0.000 0.457 420 G N 2.665 111.144 108.800 -0.533 0.000 2.368 420 G HA2 0.330 4.290 3.960 -0.000 0.000 0.301 420 G HA3 0.330 4.290 3.960 -0.000 0.000 0.301 420 G C -1.855 172.920 174.900 -0.207 0.000 1.640 420 G CA -0.869 43.978 45.100 -0.423 0.000 0.941 420 G HN 0.545 nan 8.290 nan 0.000 0.695 421 D N -0.373 119.844 120.400 -0.305 0.000 2.442 421 D HA 0.812 5.452 4.640 -0.000 0.000 0.254 421 D C -0.599 175.388 176.300 -0.522 0.000 1.069 421 D CA 0.021 53.912 54.000 -0.182 0.000 1.017 421 D CB 1.803 42.551 40.800 -0.087 0.000 1.172 421 D HN 0.169 nan 8.370 nan 0.000 0.561 422 F N -0.393 119.564 119.950 0.012 0.000 2.629 422 F HA 0.159 4.686 4.527 -0.000 0.000 0.316 422 F C 1.109 176.883 175.800 -0.044 0.000 1.081 422 F CA -0.819 57.163 58.000 -0.030 0.000 0.954 422 F CB 1.321 40.309 39.000 -0.020 0.000 1.337 422 F HN 0.032 nan 8.300 nan 0.000 0.474 423 D N -0.016 120.426 120.400 0.069 0.000 2.224 423 D HA 0.014 4.653 4.640 -0.000 0.000 0.205 423 D C 0.400 176.776 176.300 0.127 0.000 0.965 423 D CA 1.145 55.156 54.000 0.017 0.000 0.852 423 D CB 0.138 40.864 40.800 -0.122 0.000 0.947 423 D HN 0.371 nan 8.370 nan 0.000 0.494 424 S N -1.268 114.558 115.700 0.210 0.000 2.588 424 S HA 0.579 5.049 4.470 -0.000 0.000 0.269 424 S C -1.110 173.611 174.600 0.201 0.000 1.157 424 S CA -0.932 57.407 58.200 0.231 0.000 0.824 424 S CB 2.281 65.641 63.200 0.267 0.000 1.126 424 S HN -0.185 nan 8.310 nan 0.000 0.464 425 V N 1.817 121.848 119.914 0.196 0.000 2.588 425 V HA 0.563 4.683 4.120 -0.000 0.000 0.304 425 V C -0.823 175.328 176.094 0.095 0.000 1.042 425 V CA -0.633 61.780 62.300 0.188 0.000 0.877 425 V CB 1.522 33.583 31.823 0.397 0.000 0.996 425 V HN 0.891 nan 8.190 nan 0.000 0.425 426 I N 3.632 124.195 120.570 -0.011 0.000 2.378 426 I HA 0.496 4.665 4.170 -0.000 0.000 0.291 426 I C -0.997 175.147 176.117 0.045 0.000 0.992 426 I CA -0.357 60.862 61.300 -0.134 0.000 1.154 426 I CB 1.938 39.724 38.000 -0.355 0.000 1.315 426 I HN 0.505 nan 8.210 nan 0.000 0.448 427 D N 4.922 125.371 120.400 0.082 0.000 2.492 427 D HA 0.218 4.858 4.640 -0.000 0.000 0.248 427 D C 0.732 177.195 176.300 0.273 0.000 1.101 427 D CA -0.654 53.501 54.000 0.260 0.000 0.840 427 D CB 1.844 42.806 40.800 0.270 0.000 1.209 427 D HN 0.722 nan 8.370 nan 0.000 0.524 428 C N 2.638 122.050 119.300 0.187 0.000 2.437 428 C HA 0.099 4.559 4.460 -0.000 0.000 0.283 428 C C 1.082 175.932 174.990 -0.234 0.000 1.424 428 C CA 0.213 59.013 59.018 -0.363 0.000 1.782 428 C CB -1.590 25.357 27.740 -1.322 0.000 1.833 428 C HN 0.873 nan 8.230 nan 0.000 0.532 429 N N 0.430 119.102 118.700 -0.047 0.000 2.850 429 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 429 N C -0.019 175.461 175.510 -0.049 0.000 1.060 429 N CA 1.104 54.151 53.050 -0.005 0.000 0.825 429 N CB -1.737 36.776 38.487 0.043 0.000 1.132 429 N HN 0.924 nan 8.380 nan 0.000 0.564 430 T N -3.505 110.992 114.554 -0.096 0.000 2.916 430 T HA 0.822 5.171 4.350 -0.000 0.000 0.292 430 T C -0.282 174.423 174.700 0.007 0.000 1.055 430 T CA -0.693 61.371 62.100 -0.060 0.000 1.009 430 T CB 2.435 71.235 68.868 -0.114 0.000 1.118 430 T HN 0.134 nan 8.240 nan 0.000 0.497 431 C N 0.937 120.260 119.300 0.039 0.000 2.889 431 C HA 0.774 5.234 4.460 -0.000 0.000 0.307 431 C C -0.016 175.039 174.990 0.109 0.000 1.251 431 C CA -0.762 58.304 59.018 0.080 0.000 1.593 431 C CB 1.835 29.603 27.740 0.047 0.000 2.104 431 C HN 0.893 nan 8.230 nan 0.000 0.476 432 V N 1.791 121.783 119.914 0.130 0.000 2.465 432 V HA 0.651 4.771 4.120 -0.000 0.000 0.279 432 V C 0.377 176.522 176.094 0.084 0.000 1.045 432 V CA 0.410 62.784 62.300 0.124 0.000 0.938 432 V CB 1.587 33.483 31.823 0.121 0.000 0.986 432 V HN 0.995 nan 8.190 nan 0.000 0.467 433 T N 4.312 118.914 114.554 0.080 0.000 2.896 433 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 433 T C -1.058 173.694 174.700 0.087 0.000 1.108 433 T CA -0.548 61.597 62.100 0.075 0.000 1.004 433 T CB 1.848 70.758 68.868 0.069 0.000 1.159 433 T HN 0.728 nan 8.240 nan 0.000 0.499 434 Q N 1.480 121.340 119.800 0.100 0.000 2.309 434 Q HA 0.648 4.988 4.340 -0.000 0.000 0.264 434 Q C -0.763 175.310 176.000 0.121 0.000 1.008 434 Q CA -0.915 54.966 55.803 0.129 0.000 0.853 434 Q CB 2.078 30.933 28.738 0.194 0.000 1.314 434 Q HN 0.781 nan 8.270 nan 0.000 0.448 435 T N -1.996 112.621 114.554 0.104 0.000 2.912 435 T HA 0.525 4.874 4.350 -0.000 0.000 0.299 435 T C -0.841 173.894 174.700 0.058 0.000 1.052 435 T CA -0.777 61.369 62.100 0.077 0.000 0.996 435 T CB 1.516 70.412 68.868 0.046 0.000 1.070 435 T HN 0.371 nan 8.240 nan 0.000 0.465 436 V N 1.794 121.723 119.914 0.025 0.000 2.567 436 V HA 0.619 4.739 4.120 -0.000 0.000 0.289 436 V C -0.958 174.978 176.094 -0.264 0.000 1.049 436 V CA -0.298 61.973 62.300 -0.048 0.000 0.969 436 V CB 1.344 33.172 31.823 0.009 0.000 0.995 436 V HN 1.092 nan 8.190 nan 0.000 0.471 437 D N 4.735 125.005 120.400 -0.217 0.000 2.593 437 D HA 0.331 4.971 4.640 -0.000 0.000 0.251 437 D C -0.698 175.481 176.300 -0.201 0.000 1.140 437 D CA -0.379 53.481 54.000 -0.232 0.000 0.855 437 D CB 1.065 41.835 40.800 -0.049 0.000 1.267 437 D HN 0.421 nan 8.370 nan 0.000 0.532 438 F N 2.685 122.655 119.950 0.034 0.000 2.661 438 F HA 0.119 4.646 4.527 -0.000 0.000 0.356 438 F C 1.863 177.673 175.800 0.017 0.000 1.244 438 F CA -0.414 57.581 58.000 -0.008 0.000 1.290 438 F CB 0.145 39.037 39.000 -0.180 0.000 1.677 438 F HN 0.321 nan 8.300 nan 0.000 0.649 439 S N 0.516 116.322 115.700 0.176 0.000 2.501 439 S HA 0.034 4.504 4.470 -0.000 0.000 0.220 439 S C 0.957 175.609 174.600 0.088 0.000 0.997 439 S CA -0.113 58.151 58.200 0.105 0.000 0.919 439 S CB -0.308 62.938 63.200 0.076 0.000 0.778 439 S HN 0.632 nan 8.310 nan 0.000 0.523 440 L N 1.674 122.960 121.223 0.106 0.000 3.717 440 L HA -0.161 4.179 4.340 -0.000 0.000 0.414 440 L C -0.854 176.040 176.870 0.040 0.000 1.228 440 L CA 0.743 55.625 54.840 0.069 0.000 0.918 440 L CB -2.130 39.958 42.059 0.049 0.000 1.865 440 L HN 0.580 nan 8.230 nan 0.000 0.922 441 D N -1.570 118.849 120.400 0.033 0.000 2.945 441 D HA 0.269 4.909 4.640 -0.000 0.000 0.366 441 D C -1.418 174.873 176.300 -0.015 0.000 1.352 441 D CA -1.029 52.976 54.000 0.009 0.000 0.810 441 D CB 0.442 41.250 40.800 0.014 0.000 1.170 441 D HN 0.190 nan 8.370 nan 0.000 0.461 442 P HA 0.044 nan 4.420 nan 0.000 0.252 442 P C 0.734 178.047 177.300 0.023 0.000 1.211 442 P CA 0.588 63.684 63.100 -0.007 0.000 0.824 442 P CB 1.086 32.771 31.700 -0.025 0.000 1.077 443 T N -2.187 112.382 114.554 0.026 0.000 3.216 443 T HA 0.379 4.729 4.350 -0.000 0.000 0.167 443 T C 0.349 175.201 174.700 0.253 0.000 0.905 443 T CA -0.145 62.027 62.100 0.120 0.000 1.042 443 T CB -0.320 68.606 68.868 0.097 0.000 1.787 443 T HN 0.045 nan 8.240 nan 0.000 0.355 444 F N 0.718 120.802 119.950 0.223 0.000 2.640 444 F HA 0.896 5.423 4.527 -0.000 0.000 0.324 444 F C -1.252 174.645 175.800 0.162 0.000 1.077 444 F CA -1.063 57.065 58.000 0.213 0.000 0.965 444 F CB 1.672 40.869 39.000 0.328 0.000 1.351 444 F HN 0.265 nan 8.300 nan 0.000 0.487 445 T N 2.922 117.665 114.554 0.315 0.000 2.916 445 T HA 0.533 4.883 4.350 -0.000 0.000 0.298 445 T C -1.050 173.783 174.700 0.222 0.000 1.031 445 T CA -0.452 61.748 62.100 0.166 0.000 0.993 445 T CB 1.633 70.553 68.868 0.087 0.000 1.045 445 T HN 0.458 nan 8.240 nan 0.000 0.454 446 I N 3.111 123.768 120.570 0.145 0.000 2.312 446 I HA 0.363 4.532 4.170 -0.000 0.000 0.290 446 I C 0.441 176.604 176.117 0.077 0.000 1.008 446 I CA -0.601 60.752 61.300 0.088 0.000 1.226 446 I CB 1.068 39.027 38.000 -0.069 0.000 1.371 446 I HN 0.671 nan 8.210 nan 0.000 0.468 447 E N 4.256 124.506 120.200 0.083 0.000 2.179 447 E HA 0.436 4.786 4.350 -0.000 0.000 0.275 447 E C -0.619 176.033 176.600 0.087 0.000 0.945 447 E CA -0.573 55.871 56.400 0.074 0.000 0.792 447 E CB 1.872 31.606 29.700 0.056 0.000 1.125 447 E HN 0.405 nan 8.360 nan 0.000 0.397 448 T N 2.428 117.032 114.554 0.083 0.000 2.758 448 T HA 0.416 4.766 4.350 -0.000 0.000 0.285 448 T C -0.205 174.540 174.700 0.075 0.000 0.981 448 T CA -0.627 61.525 62.100 0.087 0.000 0.965 448 T CB 0.975 69.894 68.868 0.086 0.000 0.927 448 T HN 0.585 nan 8.240 nan 0.000 0.448 449 T N -0.296 114.304 114.554 0.075 0.000 2.883 449 T HA 0.621 4.971 4.350 -0.000 0.000 0.296 449 T C -0.491 174.254 174.700 0.075 0.000 1.117 449 T CA -0.875 61.265 62.100 0.067 0.000 1.006 449 T CB 1.646 70.545 68.868 0.052 0.000 1.191 449 T HN 0.284 nan 8.240 nan 0.000 0.508 450 T N 1.963 116.554 114.554 0.062 0.000 2.749 450 T HA 0.634 4.984 4.350 -0.000 0.000 0.287 450 T C 0.216 174.925 174.700 0.015 0.000 0.970 450 T CA -0.540 61.588 62.100 0.046 0.000 0.980 450 T CB 0.574 69.430 68.868 -0.020 0.000 0.924 450 T HN 0.959 nan 8.240 nan 0.000 0.456 451 V N 1.921 121.847 119.914 0.021 0.000 3.074 451 V HA 0.786 4.905 4.120 -0.000 0.000 0.314 451 V C -3.009 173.087 176.094 0.004 0.000 1.117 451 V CA -3.451 58.857 62.300 0.014 0.000 1.014 451 V CB 1.531 33.370 31.823 0.027 0.000 1.057 451 V HN 0.425 nan 8.190 nan 0.000 0.438 452 P HA 0.149 nan 4.420 nan 0.000 0.266 452 P C -0.485 176.817 177.300 0.003 0.000 1.195 452 P CA 0.121 63.220 63.100 -0.001 0.000 0.768 452 P CB 0.207 31.910 31.700 0.005 0.000 0.838 453 Q N 2.701 122.499 119.800 -0.002 0.000 2.454 453 Q HA 0.139 4.479 4.340 -0.000 0.000 0.247 453 Q C -0.056 175.944 176.000 -0.001 0.000 1.028 453 Q CA -0.386 55.416 55.803 -0.003 0.000 0.910 453 Q CB 0.487 29.217 28.738 -0.013 0.000 1.276 453 Q HN 0.448 nan 8.270 nan 0.000 0.489 454 D N 0.729 121.130 120.400 0.003 0.000 2.529 454 D HA 0.246 4.886 4.640 -0.000 0.000 0.273 454 D C 0.391 176.685 176.300 -0.010 0.000 1.197 454 D CA -0.104 53.900 54.000 0.007 0.000 1.070 454 D CB 0.912 41.730 40.800 0.030 0.000 1.134 454 D HN 0.605 nan 8.370 nan 0.000 0.590 455 A N 0.044 122.860 122.820 -0.008 0.000 1.969 455 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 455 A C 2.360 179.910 177.584 -0.057 0.000 1.169 455 A CA 1.497 53.514 52.037 -0.032 0.000 0.635 455 A CB -0.835 18.152 19.000 -0.021 0.000 0.810 455 A HN 0.379 nan 8.150 nan 0.000 0.445 456 V N -0.331 119.557 119.914 -0.045 0.000 2.295 456 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 456 V C 2.847 178.905 176.094 -0.060 0.000 1.049 456 V CA 2.320 64.577 62.300 -0.072 0.000 1.024 456 V CB -0.890 30.924 31.823 -0.015 0.000 0.648 456 V HN 0.695 nan 8.190 nan 0.000 0.447 457 S N -0.258 115.418 115.700 -0.040 0.000 2.359 457 S HA -0.296 4.174 4.470 -0.000 0.000 0.224 457 S C 2.242 176.774 174.600 -0.113 0.000 1.035 457 S CA 2.124 60.281 58.200 -0.072 0.000 1.018 457 S CB -0.374 62.793 63.200 -0.055 0.000 0.876 457 S HN 0.522 nan 8.310 nan 0.000 0.448 458 R N 0.107 120.553 120.500 -0.090 0.000 2.081 458 R HA -0.027 4.312 4.340 -0.000 0.000 0.235 458 R C 2.543 178.733 176.300 -0.183 0.000 1.131 458 R CA 1.680 57.714 56.100 -0.110 0.000 0.960 458 R CB -0.515 29.733 30.300 -0.088 0.000 0.856 458 R HN 0.444 nan 8.270 nan 0.000 0.436 459 S N 0.621 116.232 115.700 -0.148 0.000 2.356 459 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 459 S C 1.824 176.354 174.600 -0.118 0.000 1.032 459 S CA 1.234 59.349 58.200 -0.141 0.000 1.005 459 S CB -0.114 63.017 63.200 -0.116 0.000 0.867 459 S HN 0.440 nan 8.310 nan 0.000 0.449 460 Q N 0.443 120.183 119.800 -0.099 0.000 2.079 460 Q HA -0.010 4.330 4.340 -0.000 0.000 0.200 460 Q C 2.459 178.416 176.000 -0.070 0.000 0.974 460 Q CA 0.927 56.697 55.803 -0.056 0.000 0.840 460 Q CB -0.147 28.576 28.738 -0.024 0.000 0.898 460 Q HN 0.441 nan 8.270 nan 0.000 0.430 461 R N 0.443 120.829 120.500 -0.190 0.000 2.066 461 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 461 R C 2.381 178.723 176.300 0.069 0.000 1.131 461 R CA 1.114 57.066 56.100 -0.247 0.000 0.955 461 R CB -0.261 29.713 30.300 -0.543 0.000 0.851 461 R HN 0.124 nan 8.270 nan 0.000 0.432 462 R N 0.537 120.963 120.500 -0.124 0.000 2.120 462 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 462 R C 2.000 178.258 176.300 -0.070 0.000 1.123 462 R CA 1.630 57.570 56.100 -0.267 0.000 0.975 462 R CB -0.419 29.414 30.300 -0.778 0.000 0.866 462 R HN 0.312 nan 8.270 nan 0.000 0.446 463 G N 0.184 108.956 108.800 -0.047 0.000 2.708 463 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.210 463 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.210 463 G C 1.113 176.054 174.900 0.070 0.000 1.141 463 G CA -0.139 44.956 45.100 -0.008 0.000 0.788 463 G HN 0.163 nan 8.290 nan 0.000 0.531 464 R N -0.140 120.460 120.500 0.167 0.000 2.313 464 R HA 0.106 4.446 4.340 -0.000 0.000 0.199 464 R C 0.620 177.067 176.300 0.245 0.000 0.958 464 R CA 0.213 56.471 56.100 0.264 0.000 1.047 464 R CB -0.407 30.148 30.300 0.424 0.000 0.955 464 R HN 0.317 nan 8.270 nan 0.000 0.481 465 T N -2.783 111.857 114.554 0.145 0.000 2.887 465 T HA 0.481 4.831 4.350 -0.000 0.000 0.292 465 T C 0.564 175.247 174.700 -0.029 0.000 1.087 465 T CA 0.313 62.471 62.100 0.096 0.000 1.009 465 T CB 1.646 70.598 68.868 0.141 0.000 1.203 465 T HN 0.292 nan 8.240 nan 0.000 0.518 466 G N 1.832 110.605 108.800 -0.045 0.000 2.195 466 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.246 466 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.246 466 G C 0.241 175.099 174.900 -0.071 0.000 0.984 466 G CA 0.428 45.447 45.100 -0.135 0.000 0.633 466 G HN 0.811 nan 8.290 nan 0.000 0.525 467 R N 0.677 121.162 120.500 -0.025 0.000 2.296 467 R HA 0.486 4.826 4.340 -0.000 0.000 0.327 467 R C 1.389 177.693 176.300 0.007 0.000 1.137 467 R CA 0.651 56.757 56.100 0.011 0.000 1.020 467 R CB -0.408 29.896 30.300 0.007 0.000 1.110 467 R HN 1.342 nan 8.270 nan 0.000 0.499 468 G N 3.840 112.653 108.800 0.022 0.000 2.162 468 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 468 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 468 G C -0.323 174.581 174.900 0.007 0.000 0.976 468 G CA 0.617 45.725 45.100 0.014 0.000 0.655 468 G HN 0.668 nan 8.290 nan 0.000 0.533 469 R N -0.859 119.647 120.500 0.009 0.000 2.643 469 R HA 0.523 4.862 4.340 -0.000 0.000 0.269 469 R C -0.705 175.607 176.300 0.019 0.000 1.037 469 R CA -1.128 54.978 56.100 0.010 0.000 0.894 469 R CB 0.814 31.113 30.300 -0.002 0.000 1.238 469 R HN 0.163 nan 8.270 nan 0.000 0.459 470 R N 1.220 121.736 120.500 0.027 0.000 2.345 470 R HA 0.276 4.616 4.340 -0.000 0.000 0.331 470 R C 0.454 176.779 176.300 0.042 0.000 1.067 470 R CA 0.423 56.546 56.100 0.037 0.000 0.962 470 R CB 0.813 31.137 30.300 0.041 0.000 0.987 470 R HN 0.743 nan 8.270 nan 0.000 0.451 471 G N 2.677 111.499 108.800 0.038 0.000 2.461 471 G HA2 0.620 4.580 3.960 -0.000 0.000 0.329 471 G HA3 0.620 4.580 3.960 -0.000 0.000 0.329 471 G C -0.453 174.499 174.900 0.088 0.000 1.170 471 G CA -0.707 44.428 45.100 0.059 0.000 0.935 471 G HN 0.417 nan 8.290 nan 0.000 0.492 472 I N -0.019 120.624 120.570 0.122 0.000 2.545 472 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 472 I C -1.563 174.679 176.117 0.209 0.000 1.040 472 I CA -0.838 60.547 61.300 0.142 0.000 1.068 472 I CB 2.480 40.540 38.000 0.100 0.000 1.251 472 I HN 0.486 nan 8.210 nan 0.000 0.424 473 Y N 6.626 126.987 120.300 0.102 0.000 2.345 473 Y HA 0.526 5.076 4.550 -0.000 0.000 0.331 473 Y C -0.638 175.372 175.900 0.182 0.000 0.959 473 Y CA -0.747 57.438 58.100 0.141 0.000 1.204 473 Y CB 0.777 39.326 38.460 0.148 0.000 1.135 473 Y HN 0.447 nan 8.280 nan 0.000 0.477 474 R N 6.560 126.883 120.500 -0.296 0.000 2.407 474 R HA 0.596 4.936 4.340 -0.000 0.000 0.303 474 R C -1.505 174.527 176.300 -0.447 0.000 0.981 474 R CA -0.759 55.136 56.100 -0.342 0.000 0.905 474 R CB 1.441 31.591 30.300 -0.251 0.000 1.099 474 R HN 0.660 nan 8.270 nan 0.000 0.459 475 F N -1.839 117.903 119.950 -0.345 0.000 2.613 475 F HA 0.441 4.967 4.527 -0.000 0.000 0.310 475 F C 0.196 175.971 175.800 -0.041 0.000 1.085 475 F CA -1.259 56.596 58.000 -0.242 0.000 0.945 475 F CB 0.595 39.452 39.000 -0.238 0.000 1.298 475 F HN 0.100 nan 8.300 nan 0.000 0.455 476 V N 0.180 120.229 119.914 0.226 0.000 2.379 476 V HA 0.058 4.178 4.120 -0.000 0.000 0.243 476 V C 0.878 177.119 176.094 0.246 0.000 1.035 476 V CA 1.832 64.233 62.300 0.168 0.000 1.035 476 V CB -0.190 31.703 31.823 0.118 0.000 0.673 476 V HN 0.989 nan 8.190 nan 0.000 0.457 477 T N -2.663 112.089 114.554 0.329 0.000 2.900 477 T HA 0.445 4.795 4.350 -0.000 0.000 0.295 477 T C -2.115 172.715 174.700 0.217 0.000 1.044 477 T CA -1.751 60.508 62.100 0.264 0.000 0.995 477 T CB 2.386 71.324 68.868 0.116 0.000 1.072 477 T HN 0.044 nan 8.240 nan 0.000 0.473 478 P HA 0.179 nan 4.420 nan 0.000 0.235 478 P C 1.141 178.360 177.300 -0.136 0.000 1.177 478 P CA 0.209 63.199 63.100 -0.183 0.000 0.785 478 P CB -0.231 31.462 31.700 -0.011 0.000 0.885 479 G N 1.201 109.977 108.800 -0.040 0.000 2.479 479 G HA2 0.277 4.237 3.960 -0.000 0.000 0.275 479 G HA3 0.277 4.237 3.960 -0.000 0.000 0.275 479 G C -0.448 174.429 174.900 -0.038 0.000 1.421 479 G CA -0.152 44.930 45.100 -0.029 0.000 1.059 479 G HN 0.374 nan 8.290 nan 0.000 0.535 480 E N -1.983 118.205 120.200 -0.020 0.000 2.745 480 E HA 0.203 4.553 4.350 -0.000 0.000 0.306 480 E C -1.042 175.553 176.600 -0.008 0.000 1.090 480 E CA -0.886 55.504 56.400 -0.018 0.000 0.893 480 E CB 0.783 30.465 29.700 -0.031 0.000 1.205 480 E HN 0.435 nan 8.360 nan 0.000 0.438 481 R N 1.969 122.466 120.500 -0.004 0.000 2.577 481 R HA 0.403 4.742 4.340 -0.000 0.000 0.269 481 R C -2.065 174.232 176.300 -0.004 0.000 1.084 481 R CA -1.731 54.365 56.100 -0.006 0.000 1.163 481 R CB 0.369 30.669 30.300 0.000 0.000 1.100 481 R HN 0.453 nan 8.270 nan 0.000 0.547 482 P HA -0.029 nan 4.420 nan 0.000 0.268 482 P C -0.377 176.969 177.300 0.077 0.000 1.205 482 P CA 0.022 63.115 63.100 -0.012 0.000 0.771 482 P CB 0.875 32.441 31.700 -0.223 0.000 0.858 483 S N 0.985 116.770 115.700 0.142 0.000 2.693 483 S HA 0.606 5.076 4.470 -0.000 0.000 0.276 483 S C 1.042 175.770 174.600 0.214 0.000 1.192 483 S CA 0.183 58.467 58.200 0.139 0.000 0.994 483 S CB 0.548 63.793 63.200 0.076 0.000 1.012 483 S HN 0.881 nan 8.310 nan 0.000 0.550 484 G N 0.258 109.167 108.800 0.182 0.000 2.141 484 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.231 484 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.231 484 G C -0.252 174.779 174.900 0.218 0.000 0.984 484 G CA 0.275 45.483 45.100 0.180 0.000 0.660 484 G HN 0.734 nan 8.290 nan 0.000 0.525 485 M N -0.322 119.417 119.600 0.232 0.000 2.535 485 M HA 0.779 5.259 4.480 -0.000 0.000 0.314 485 M C -0.190 176.253 176.300 0.238 0.000 1.153 485 M CA -1.104 54.297 55.300 0.169 0.000 0.924 485 M CB 2.002 34.679 32.600 0.129 0.000 1.710 485 M HN 0.374 nan 8.290 nan 0.000 0.451 486 F N -1.404 118.579 119.950 0.054 0.000 2.629 486 F HA 0.754 5.281 4.527 -0.000 0.000 0.316 486 F C -1.010 174.807 175.800 0.028 0.000 1.081 486 F CA -1.279 56.740 58.000 0.032 0.000 0.954 486 F CB 0.866 39.873 39.000 0.011 0.000 1.337 486 F HN 0.465 nan 8.300 nan 0.000 0.474 487 D N 0.236 120.763 120.400 0.212 0.000 2.312 487 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 487 D C 1.107 177.515 176.300 0.180 0.000 1.086 487 D CA 0.017 54.089 54.000 0.119 0.000 0.948 487 D CB 1.998 42.874 40.800 0.127 0.000 1.162 487 D HN 0.697 nan 8.370 nan 0.000 0.446 488 S N 0.898 116.707 115.700 0.182 0.000 2.440 488 S HA -0.187 4.282 4.470 -0.000 0.000 0.238 488 S C 1.843 176.655 174.600 0.355 0.000 1.010 488 S CA 1.789 60.215 58.200 0.376 0.000 0.972 488 S CB -0.469 63.139 63.200 0.680 0.000 0.774 488 S HN 0.537 nan 8.310 nan 0.000 0.501 489 S N 0.447 116.290 115.700 0.240 0.000 2.419 489 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 489 S C 1.715 176.352 174.600 0.062 0.000 1.016 489 S CA 1.128 59.406 58.200 0.130 0.000 0.974 489 S CB -0.696 62.623 63.200 0.197 0.000 0.786 489 S HN 0.380 nan 8.310 nan 0.000 0.492 490 V N 2.041 122.022 119.914 0.113 0.000 2.515 490 V HA -0.060 4.060 4.120 -0.000 0.000 0.250 490 V C 2.498 178.568 176.094 -0.039 0.000 1.058 490 V CA 1.404 63.722 62.300 0.030 0.000 1.064 490 V CB -0.864 30.994 31.823 0.058 0.000 0.675 490 V HN 0.472 nan 8.190 nan 0.000 0.461 491 L N -0.465 120.780 121.223 0.038 0.000 2.012 491 L HA -0.272 4.067 4.340 -0.000 0.000 0.210 491 L C 2.741 179.470 176.870 -0.235 0.000 1.073 491 L CA 1.948 56.783 54.840 -0.008 0.000 0.748 491 L CB -0.869 41.319 42.059 0.216 0.000 0.891 491 L HN 0.499 nan 8.230 nan 0.000 0.431 492 C N 0.592 119.455 119.300 -0.728 0.000 2.413 492 C HA -0.192 4.268 4.460 -0.000 0.000 0.276 492 C C 2.642 177.534 174.990 -0.164 0.000 1.248 492 C CA 1.322 59.833 59.018 -0.844 0.000 1.742 492 C CB -0.718 26.223 27.740 -1.332 0.000 2.017 492 C HN 0.510 nan 8.230 nan 0.000 0.481 493 E N -0.648 119.505 120.200 -0.079 0.000 2.118 493 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 493 E C 2.258 178.759 176.600 -0.165 0.000 0.992 493 E CA 1.767 58.087 56.400 -0.134 0.000 0.804 493 E CB -0.239 29.300 29.700 -0.268 0.000 0.741 493 E HN 0.772 nan 8.360 nan 0.000 0.458 494 C N 0.142 119.317 119.300 -0.208 0.000 2.432 494 C HA -0.146 4.313 4.460 -0.000 0.000 0.277 494 C C 2.408 177.177 174.990 -0.368 0.000 1.249 494 C CA 0.532 59.387 59.018 -0.272 0.000 1.725 494 C CB -1.081 26.452 27.740 -0.345 0.000 2.028 494 C HN 0.461 nan 8.230 nan 0.000 0.477 495 Y N 0.752 120.775 120.300 -0.461 0.000 2.224 495 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 495 Y C 2.468 177.850 175.900 -0.863 0.000 1.146 495 Y CA 1.927 59.557 58.100 -0.784 0.000 1.182 495 Y CB -0.565 37.125 38.460 -1.283 0.000 0.983 495 Y HN 0.402 nan 8.280 nan 0.000 0.524 496 D N -0.008 120.099 120.400 -0.488 0.000 2.104 496 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 496 D C 2.228 178.511 176.300 -0.028 0.000 0.994 496 D CA 1.399 55.372 54.000 -0.044 0.000 0.830 496 D CB 0.023 40.981 40.800 0.263 0.000 0.959 496 D HN 0.352 nan 8.370 nan 0.000 0.452 497 A N 0.635 123.439 122.820 -0.027 0.000 1.898 497 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 497 A C 2.419 180.023 177.584 0.034 0.000 1.181 497 A CA 2.009 54.089 52.037 0.071 0.000 0.620 497 A CB -1.133 17.937 19.000 0.118 0.000 0.819 497 A HN 0.362 nan 8.150 nan 0.000 0.442 498 G N -0.796 108.009 108.800 0.009 0.000 2.469 498 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 498 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 498 G C 1.580 176.448 174.900 -0.054 0.000 1.150 498 G CA 1.434 46.552 45.100 0.030 0.000 0.763 498 G HN 0.524 nan 8.290 nan 0.000 0.561 499 C N 0.441 119.621 119.300 -0.200 0.000 2.486 499 C HA 0.348 4.807 4.460 -0.000 0.000 0.279 499 C C 3.523 178.424 174.990 -0.148 0.000 1.302 499 C CA 0.798 59.627 59.018 -0.316 0.000 1.720 499 C CB -0.767 26.423 27.740 -0.918 0.000 2.030 499 C HN 0.564 nan 8.230 nan 0.000 0.490 500 A N -1.289 121.478 122.820 -0.089 0.000 1.898 500 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 500 A C 1.754 179.105 177.584 -0.388 0.000 1.183 500 A CA 1.208 53.166 52.037 -0.131 0.000 0.622 500 A CB -0.522 18.374 19.000 -0.174 0.000 0.824 500 A HN 0.771 nan 8.150 nan 0.000 0.444 501 W N -3.474 117.664 121.300 -0.270 0.000 2.893 501 W HA 0.246 4.906 4.660 -0.000 0.000 0.253 501 W C 1.041 177.316 176.519 -0.407 0.000 1.171 501 W CA 0.064 57.127 57.345 -0.470 0.000 1.480 501 W CB 0.361 29.247 29.460 -0.956 0.000 0.963 501 W HN 0.303 nan 8.180 nan 0.000 0.637 502 Y N 0.535 120.951 120.300 0.194 0.000 2.531 502 Y HA 0.229 4.779 4.550 -0.000 0.000 0.249 502 Y C 0.384 176.303 175.900 0.031 0.000 1.168 502 Y CA -0.835 57.321 58.100 0.093 0.000 1.226 502 Y CB -0.693 37.791 38.460 0.040 0.000 1.177 502 Y HN -0.040 nan 8.280 nan 0.000 0.527 503 E N 0.668 120.938 120.200 0.117 0.000 2.440 503 E HA -0.222 4.128 4.350 -0.000 0.000 0.246 503 E C -0.871 175.758 176.600 0.048 0.000 1.165 503 E CA 0.236 56.675 56.400 0.065 0.000 0.726 503 E CB -1.545 28.194 29.700 0.065 0.000 1.271 503 E HN 0.416 nan 8.360 nan 0.000 0.397 504 L N 1.186 122.433 121.223 0.041 0.000 2.275 504 L HA 0.276 4.616 4.340 -0.000 0.000 0.288 504 L C 1.260 178.120 176.870 -0.016 0.000 1.046 504 L CA -0.633 54.212 54.840 0.008 0.000 0.805 504 L CB 1.119 43.176 42.059 -0.004 0.000 1.193 504 L HN 0.055 nan 8.230 nan 0.000 0.426 505 T N -0.168 114.385 114.554 -0.002 0.000 2.903 505 T HA 0.101 4.451 4.350 -0.000 0.000 0.314 505 T C -1.821 172.897 174.700 0.031 0.000 1.078 505 T CA -1.249 60.857 62.100 0.010 0.000 1.114 505 T CB 0.768 69.650 68.868 0.023 0.000 0.987 505 T HN 0.357 nan 8.240 nan 0.000 0.548 506 P HA -0.091 nan 4.420 nan 0.000 0.216 506 P C 1.692 179.119 177.300 0.213 0.000 1.150 506 P CA 1.572 64.800 63.100 0.214 0.000 0.843 506 P CB -0.317 31.507 31.700 0.207 0.000 0.787 507 A N 0.088 122.981 122.820 0.123 0.000 1.883 507 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 507 A C 2.130 179.754 177.584 0.067 0.000 1.186 507 A CA 1.826 53.922 52.037 0.099 0.000 0.624 507 A CB -1.206 17.832 19.000 0.065 0.000 0.822 507 A HN 0.215 nan 8.150 nan 0.000 0.444 508 E N -0.920 119.300 120.200 0.032 0.000 2.077 508 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 508 E C 2.064 178.642 176.600 -0.036 0.000 0.989 508 E CA 1.504 57.904 56.400 -0.001 0.000 0.800 508 E CB -0.408 29.285 29.700 -0.012 0.000 0.746 508 E HN 0.577 nan 8.360 nan 0.000 0.452 509 T N 0.726 115.233 114.554 -0.078 0.000 2.720 509 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 509 T C 2.147 176.722 174.700 -0.207 0.000 1.037 509 T CA 1.370 63.327 62.100 -0.238 0.000 1.144 509 T CB -0.209 68.352 68.868 -0.512 0.000 0.864 509 T HN 0.045 nan 8.240 nan 0.000 0.444 510 S N 0.638 116.330 115.700 -0.014 0.000 2.370 510 S HA -0.093 4.377 4.470 -0.000 0.000 0.226 510 S C 2.290 176.924 174.600 0.058 0.000 1.033 510 S CA 0.821 59.087 58.200 0.110 0.000 1.011 510 S CB -0.470 62.864 63.200 0.223 0.000 0.852 510 S HN 0.287 nan 8.310 nan 0.000 0.457 511 V N 1.831 121.766 119.914 0.034 0.000 2.343 511 V HA -0.202 3.917 4.120 -0.000 0.000 0.247 511 V C 2.380 178.485 176.094 0.019 0.000 1.051 511 V CA 1.757 64.073 62.300 0.027 0.000 1.036 511 V CB -0.597 31.234 31.823 0.015 0.000 0.654 511 V HN 0.396 nan 8.190 nan 0.000 0.451 512 R N -0.406 120.088 120.500 -0.010 0.000 2.073 512 R HA 0.018 4.357 4.340 -0.000 0.000 0.229 512 R C 2.267 178.581 176.300 0.023 0.000 1.120 512 R CA 1.112 57.210 56.100 -0.003 0.000 0.967 512 R CB -0.342 29.933 30.300 -0.041 0.000 0.862 512 R HN 0.397 nan 8.270 nan 0.000 0.436 513 L N 0.298 121.511 121.223 -0.016 0.000 2.093 513 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 513 L C 2.616 179.559 176.870 0.122 0.000 1.085 513 L CA 0.948 55.801 54.840 0.023 0.000 0.755 513 L CB -0.332 41.706 42.059 -0.036 0.000 0.904 513 L HN 0.085 nan 8.230 nan 0.000 0.435 514 R N 1.089 121.649 120.500 0.100 0.000 2.081 514 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 514 R C 2.225 178.588 176.300 0.105 0.000 1.131 514 R CA 1.792 57.954 56.100 0.105 0.000 0.960 514 R CB -0.723 29.625 30.300 0.080 0.000 0.856 514 R HN 0.287 nan 8.270 nan 0.000 0.436 515 A N -0.526 122.350 122.820 0.093 0.000 1.908 515 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 515 A C 2.207 179.857 177.584 0.111 0.000 1.181 515 A CA 1.625 53.712 52.037 0.083 0.000 0.627 515 A CB -1.086 17.954 19.000 0.067 0.000 0.818 515 A HN 0.577 nan 8.150 nan 0.000 0.445 516 Y N -0.003 120.312 120.300 0.026 0.000 2.128 516 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 516 Y C 1.913 177.846 175.900 0.055 0.000 1.154 516 Y CA 2.015 60.136 58.100 0.036 0.000 1.149 516 Y CB -0.282 38.197 38.460 0.031 0.000 0.976 516 Y HN 0.208 nan 8.280 nan 0.000 0.505 517 L N 0.509 121.919 121.223 0.311 0.000 2.201 517 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 517 L C 1.774 178.690 176.870 0.076 0.000 1.105 517 L CA 1.286 56.250 54.840 0.207 0.000 0.775 517 L CB -0.858 41.307 42.059 0.177 0.000 0.913 517 L HN 0.221 nan 8.230 nan 0.000 0.440 518 N N -1.207 117.528 118.700 0.058 0.000 2.550 518 N HA -0.029 4.710 4.740 -0.000 0.000 0.186 518 N C 0.068 175.576 175.510 -0.002 0.000 1.110 518 N CA 0.434 53.498 53.050 0.024 0.000 0.912 518 N CB -0.050 38.454 38.487 0.029 0.000 0.968 518 N HN 0.237 nan 8.380 nan 0.000 0.448 519 T N 2.667 117.201 114.554 -0.033 0.000 2.756 519 T HA 0.364 4.714 4.350 -0.000 0.000 0.290 519 T C -2.473 172.196 174.700 -0.051 0.000 0.985 519 T CA -1.350 60.718 62.100 -0.053 0.000 0.955 519 T CB 2.090 70.895 68.868 -0.105 0.000 0.930 519 T HN -0.053 nan 8.240 nan 0.000 0.451 520 P HA 0.352 nan 4.420 nan 0.000 0.271 520 P C 1.061 178.388 177.300 0.045 0.000 1.218 520 P CA 0.417 63.516 63.100 -0.003 0.000 0.780 520 P CB 0.439 32.137 31.700 -0.003 0.000 0.901 521 G N 0.395 109.171 108.800 -0.041 0.000 2.176 521 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 521 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 521 G C -0.131 174.798 174.900 0.048 0.000 0.979 521 G CA -0.247 44.801 45.100 -0.086 0.000 0.641 521 G HN 0.435 nan 8.290 nan 0.000 0.530 522 L N 0.652 121.881 121.223 0.009 0.000 2.358 522 L HA 0.552 4.891 4.340 -0.000 0.000 0.268 522 L C -1.747 175.159 176.870 0.061 0.000 1.032 522 L CA -2.566 52.260 54.840 -0.022 0.000 0.805 522 L CB 1.091 42.960 42.059 -0.316 0.000 1.253 522 L HN -0.173 nan 8.230 nan 0.000 0.452 523 P HA -0.026 nan 4.420 nan 0.000 0.267 523 P C -1.079 176.442 177.300 0.368 0.000 1.195 523 P CA 0.000 63.295 63.100 0.324 0.000 0.773 523 P CB 0.403 32.396 31.700 0.488 0.000 0.837 524 V N 0.108 120.117 119.914 0.159 0.000 2.919 524 V HA 0.840 4.960 4.120 -0.000 0.000 0.316 524 V C -0.566 175.269 176.094 -0.433 0.000 1.077 524 V CA -0.823 61.450 62.300 -0.044 0.000 0.977 524 V CB 1.821 33.616 31.823 -0.045 0.000 1.039 524 V HN 0.825 nan 8.190 nan 0.000 0.441 525 C N 2.550 121.547 119.300 -0.505 0.000 3.239 525 C HA 0.513 4.973 4.460 -0.000 0.000 0.329 525 C C -0.611 174.153 174.990 -0.376 0.000 1.252 525 C CA -0.321 58.279 59.018 -0.696 0.000 1.323 525 C CB 1.910 28.829 27.740 -1.369 0.000 1.663 525 C HN 1.075 nan 8.230 nan 0.000 0.487 526 Q N 2.468 122.045 119.800 -0.370 0.000 2.349 526 Q HA 0.089 4.429 4.340 -0.000 0.000 0.287 526 Q C -0.297 175.462 176.000 -0.402 0.000 1.044 526 Q CA 0.756 56.311 55.803 -0.414 0.000 0.918 526 Q CB 0.576 28.942 28.738 -0.619 0.000 1.242 526 Q HN 0.740 nan 8.270 nan 0.000 0.405 527 D N 1.906 122.161 120.400 -0.241 0.000 2.435 527 D HA 0.023 4.663 4.640 -0.000 0.000 0.230 527 D C -0.229 176.121 176.300 0.082 0.000 1.215 527 D CA 0.083 54.053 54.000 -0.050 0.000 0.947 527 D CB -0.259 40.545 40.800 0.007 0.000 1.048 527 D HN 0.436 nan 8.370 nan 0.000 0.512 528 H N 3.234 122.407 119.070 0.171 0.000 2.469 528 H HA 0.185 4.741 4.556 -0.000 0.000 0.286 528 H C 1.622 177.120 175.328 0.284 0.000 1.106 528 H CA -0.378 55.769 56.048 0.165 0.000 1.055 528 H CB 0.878 30.749 29.762 0.181 0.000 1.618 528 H HN 0.273 nan 8.280 nan 0.000 0.559 529 L N 0.349 121.798 121.223 0.376 0.000 1.989 529 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 529 L C 2.208 179.224 176.870 0.243 0.000 1.071 529 L CA 1.240 56.310 54.840 0.385 0.000 0.749 529 L CB -0.187 42.055 42.059 0.305 0.000 0.890 529 L HN 0.428 nan 8.230 nan 0.000 0.431 530 E N -0.112 120.185 120.200 0.162 0.000 2.085 530 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 530 E C 1.963 178.573 176.600 0.017 0.000 0.994 530 E CA 1.440 57.889 56.400 0.081 0.000 0.801 530 E CB -0.443 29.293 29.700 0.060 0.000 0.743 530 E HN 0.406 nan 8.360 nan 0.000 0.453 531 F N 0.117 119.975 119.950 -0.154 0.000 2.051 531 F HA -0.200 4.326 4.527 -0.000 0.000 0.296 531 F C 2.130 177.742 175.800 -0.313 0.000 1.122 531 F CA 1.675 59.475 58.000 -0.334 0.000 1.201 531 F CB -0.751 37.886 39.000 -0.605 0.000 0.978 531 F HN -0.005 nan 8.300 nan 0.000 0.472 532 W N 0.965 122.103 121.300 -0.269 0.000 2.342 532 W HA -0.170 4.490 4.660 -0.000 0.000 0.297 532 W C 2.645 178.748 176.519 -0.693 0.000 1.213 532 W CA 1.319 58.354 57.345 -0.516 0.000 1.251 532 W CB -0.560 28.691 29.460 -0.347 0.000 1.136 532 W HN 0.181 nan 8.180 nan 0.000 0.526 533 E N 0.715 120.646 120.200 -0.448 0.000 2.077 533 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 533 E C 2.293 178.845 176.600 -0.081 0.000 0.989 533 E CA 1.990 58.222 56.400 -0.280 0.000 0.800 533 E CB -0.236 29.462 29.700 -0.004 0.000 0.746 533 E HN 0.235 nan 8.360 nan 0.000 0.452 534 S N -0.152 115.473 115.700 -0.124 0.000 2.368 534 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 534 S C 2.115 176.724 174.600 0.014 0.000 1.030 534 S CA 1.276 59.444 58.200 -0.054 0.000 0.999 534 S CB -0.611 62.506 63.200 -0.139 0.000 0.844 534 S HN 0.158 nan 8.310 nan 0.000 0.459 535 V N 1.013 120.820 119.914 -0.177 0.000 2.261 535 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 535 V C 2.303 178.407 176.094 0.017 0.000 1.047 535 V CA 2.092 64.339 62.300 -0.088 0.000 1.015 535 V CB -1.068 30.595 31.823 -0.266 0.000 0.642 535 V HN 0.486 nan 8.190 nan 0.000 0.446 536 F N 0.421 120.360 119.950 -0.017 0.000 2.293 536 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 536 F C 2.539 178.320 175.800 -0.031 0.000 1.086 536 F CA 1.635 59.630 58.000 -0.009 0.000 1.375 536 F CB -0.836 38.144 39.000 -0.033 0.000 1.045 536 F HN 0.086 nan 8.300 nan 0.000 0.516 537 T N -0.966 113.675 114.554 0.145 0.000 2.881 537 T HA -0.121 4.228 4.350 -0.000 0.000 0.270 537 T C 2.229 176.893 174.700 -0.061 0.000 1.068 537 T CA 1.334 63.474 62.100 0.066 0.000 1.131 537 T CB -0.687 68.234 68.868 0.089 0.000 0.871 537 T HN 0.436 nan 8.240 nan 0.000 0.479 538 G N 0.754 109.463 108.800 -0.151 0.000 2.813 538 G HA2 0.161 4.121 3.960 -0.000 0.000 0.209 538 G HA3 0.161 4.121 3.960 -0.000 0.000 0.209 538 G C 0.510 175.202 174.900 -0.347 0.000 1.150 538 G CA -0.136 44.618 45.100 -0.578 0.000 0.785 538 G HN 0.450 nan 8.290 nan 0.000 0.535 539 L N 3.177 124.235 121.223 -0.275 0.000 2.422 539 L HA 0.278 4.618 4.340 -0.000 0.000 0.256 539 L C 0.402 177.158 176.870 -0.191 0.000 1.202 539 L CA -0.519 53.965 54.840 -0.594 0.000 1.119 539 L CB -0.161 41.428 42.059 -0.783 0.000 1.383 539 L HN 0.040 nan 8.230 nan 0.000 0.411 540 T N -3.179 111.400 114.554 0.042 0.000 2.929 540 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 540 T C 0.463 175.326 174.700 0.271 0.000 1.014 540 T CA -0.565 61.567 62.100 0.054 0.000 1.051 540 T CB 1.133 69.923 68.868 -0.129 0.000 1.028 540 T HN 0.546 nan 8.240 nan 0.000 0.485 541 H N -0.717 118.501 119.070 0.247 0.000 2.819 541 H HA -0.132 4.423 4.556 -0.000 0.000 0.315 541 H C 0.228 175.650 175.328 0.157 0.000 1.242 541 H CA 0.292 56.442 56.048 0.169 0.000 1.157 541 H CB -1.574 28.254 29.762 0.109 0.000 1.451 541 H HN 0.788 nan 8.280 nan 0.000 0.430 542 I N 1.081 121.828 120.570 0.295 0.000 2.948 542 I HA -0.074 4.096 4.170 -0.000 0.000 0.290 542 I C 1.162 177.310 176.117 0.051 0.000 1.226 542 I CA 0.425 61.809 61.300 0.139 0.000 1.413 542 I CB 0.435 38.504 38.000 0.115 0.000 1.352 542 I HN 0.232 nan 8.210 nan 0.000 0.597 543 D N 5.882 126.268 120.400 -0.024 0.000 2.358 543 D HA 0.073 4.713 4.640 -0.000 0.000 0.258 543 D C 0.644 176.907 176.300 -0.062 0.000 1.223 543 D CA 0.191 54.134 54.000 -0.096 0.000 0.886 543 D CB 1.607 42.234 40.800 -0.288 0.000 1.120 543 D HN 0.696 nan 8.370 nan 0.000 0.482 544 A N 4.511 127.309 122.820 -0.036 0.000 2.015 544 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 544 A C 1.987 179.587 177.584 0.027 0.000 1.163 544 A CA 1.171 53.211 52.037 0.004 0.000 0.646 544 A CB -0.536 18.470 19.000 0.010 0.000 0.806 544 A HN 0.880 nan 8.150 nan 0.000 0.448 545 H N -1.983 116.988 119.070 -0.165 0.000 2.363 545 H HA -0.106 4.450 4.556 -0.000 0.000 0.301 545 H C 1.719 177.028 175.328 -0.031 0.000 1.074 545 H CA 1.395 57.354 56.048 -0.148 0.000 1.354 545 H CB -0.061 29.552 29.762 -0.248 0.000 1.397 545 H HN 0.452 nan 8.280 nan 0.000 0.516 546 F N 0.681 120.576 119.950 -0.091 0.000 2.134 546 F HA -0.175 4.351 4.527 -0.000 0.000 0.299 546 F C 2.521 178.260 175.800 -0.102 0.000 1.097 546 F CA 0.561 58.474 58.000 -0.145 0.000 1.264 546 F CB -1.068 37.875 39.000 -0.095 0.000 1.001 546 F HN 0.202 nan 8.300 nan 0.000 0.479 547 L N -0.342 120.944 121.223 0.105 0.000 2.042 547 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 547 L C 2.601 179.445 176.870 -0.043 0.000 1.076 547 L CA 1.974 56.819 54.840 0.008 0.000 0.749 547 L CB -1.309 40.743 42.059 -0.012 0.000 0.893 547 L HN 0.156 nan 8.230 nan 0.000 0.432 548 S N -1.250 114.441 115.700 -0.016 0.000 2.370 548 S HA -0.267 4.203 4.470 -0.000 0.000 0.226 548 S C 1.960 176.556 174.600 -0.006 0.000 1.033 548 S CA 1.743 59.929 58.200 -0.023 0.000 1.011 548 S CB -0.200 63.034 63.200 0.057 0.000 0.852 548 S HN 0.692 nan 8.310 nan 0.000 0.457 549 Q N -0.147 119.661 119.800 0.012 0.000 2.079 549 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 549 Q C 2.548 178.555 176.000 0.010 0.000 0.974 549 Q CA 1.913 57.723 55.803 0.013 0.000 0.840 549 Q CB -0.474 28.258 28.738 -0.009 0.000 0.898 549 Q HN 0.873 nan 8.270 nan 0.000 0.430 550 T N -0.875 113.679 114.554 0.001 0.000 2.821 550 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 550 T C 1.639 176.346 174.700 0.011 0.000 1.046 550 T CA 1.042 63.140 62.100 -0.003 0.000 1.139 550 T CB -0.090 68.775 68.868 -0.006 0.000 0.871 550 T HN 0.117 nan 8.240 nan 0.000 0.454 551 K N 0.596 120.965 120.400 -0.051 0.000 2.026 551 K HA -0.062 4.258 4.320 -0.000 0.000 0.208 551 K C 2.837 179.521 176.600 0.142 0.000 1.048 551 K CA 1.361 57.608 56.287 -0.067 0.000 0.929 551 K CB -0.127 32.055 32.500 -0.530 0.000 0.713 551 K HN 0.260 nan 8.250 nan 0.000 0.439 552 Q N -0.077 119.773 119.800 0.083 0.000 2.167 552 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 552 Q C 2.010 178.075 176.000 0.109 0.000 0.970 552 Q CA 1.324 57.202 55.803 0.124 0.000 0.855 552 Q CB -0.157 28.634 28.738 0.089 0.000 0.911 552 Q HN 0.326 nan 8.270 nan 0.000 0.438 553 A N -0.148 122.718 122.820 0.078 0.000 2.119 553 A HA 0.216 4.535 4.320 -0.000 0.000 0.217 553 A C 1.654 179.278 177.584 0.067 0.000 1.153 553 A CA 1.222 53.294 52.037 0.057 0.000 0.692 553 A CB -0.421 18.596 19.000 0.027 0.000 0.799 553 A HN 0.434 nan 8.150 nan 0.000 0.458 554 G N -0.502 108.361 108.800 0.105 0.000 2.155 554 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 554 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 554 G C -0.150 174.788 174.900 0.064 0.000 0.983 554 G CA 0.427 45.596 45.100 0.114 0.000 0.676 554 G HN 0.528 nan 8.290 nan 0.000 0.528 555 D N 0.292 120.714 120.400 0.038 0.000 2.411 555 D HA 0.277 4.916 4.640 -0.000 0.000 0.251 555 D C 0.864 177.166 176.300 0.003 0.000 1.201 555 D CA -0.521 53.481 54.000 0.005 0.000 0.996 555 D CB 0.298 41.084 40.800 -0.022 0.000 1.101 555 D HN 0.119 nan 8.370 nan 0.000 0.504 556 N N -0.186 118.495 118.700 -0.031 0.000 2.415 556 N HA 0.036 4.776 4.740 -0.000 0.000 0.248 556 N C 0.061 175.572 175.510 0.002 0.000 1.271 556 N CA -0.008 52.959 53.050 -0.139 0.000 0.913 556 N CB -0.054 38.283 38.487 -0.249 0.000 1.129 556 N HN 0.338 nan 8.380 nan 0.000 0.444 557 F N -1.987 118.000 119.950 0.061 0.000 3.027 557 F HA -0.166 4.361 4.527 -0.000 0.000 0.276 557 F C -1.156 174.704 175.800 0.100 0.000 0.967 557 F CA -0.178 57.877 58.000 0.092 0.000 0.929 557 F CB -1.665 37.371 39.000 0.061 0.000 0.873 557 F HN 0.524 nan 8.300 nan 0.000 0.787 558 P HA -0.254 nan 4.420 nan 0.000 0.218 558 P C 1.630 179.040 177.300 0.183 0.000 1.148 558 P CA 1.782 64.963 63.100 0.136 0.000 0.822 558 P CB 0.020 31.769 31.700 0.083 0.000 0.784 559 Y N 0.755 121.161 120.300 0.176 0.000 2.153 559 Y HA -0.102 4.448 4.550 -0.000 0.000 0.289 559 Y C 2.585 178.672 175.900 0.311 0.000 1.127 559 Y CA 1.382 59.625 58.100 0.238 0.000 1.131 559 Y CB -0.905 37.731 38.460 0.294 0.000 0.995 559 Y HN -0.283 nan 8.280 nan 0.000 0.505 560 L N -1.205 120.291 121.223 0.455 0.000 2.042 560 L HA -0.248 4.091 4.340 -0.000 0.000 0.210 560 L C 2.276 179.362 176.870 0.360 0.000 1.076 560 L CA 1.196 56.229 54.840 0.322 0.000 0.749 560 L CB -0.859 41.216 42.059 0.026 0.000 0.893 560 L HN 0.143 nan 8.230 nan 0.000 0.432 561 V N 0.165 120.224 119.914 0.242 0.000 2.295 561 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 561 V C 2.739 178.947 176.094 0.191 0.000 1.049 561 V CA 1.910 64.299 62.300 0.147 0.000 1.024 561 V CB -0.836 30.909 31.823 -0.130 0.000 0.648 561 V HN 0.487 nan 8.190 nan 0.000 0.447 562 A N -1.624 121.255 122.820 0.098 0.000 1.969 562 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 562 A C 2.117 179.732 177.584 0.052 0.000 1.169 562 A CA 1.739 53.813 52.037 0.062 0.000 0.635 562 A CB -0.672 18.349 19.000 0.036 0.000 0.810 562 A HN 0.624 nan 8.150 nan 0.000 0.445 563 Y N -0.016 120.254 120.300 -0.050 0.000 2.220 563 Y HA -0.190 4.359 4.550 -0.000 0.000 0.291 563 Y C 2.645 178.549 175.900 0.008 0.000 1.129 563 Y CA 2.165 60.235 58.100 -0.050 0.000 1.161 563 Y CB -0.225 38.190 38.460 -0.075 0.000 0.997 563 Y HN 0.431 nan 8.280 nan 0.000 0.522 564 Q N 0.539 120.463 119.800 0.206 0.000 2.096 564 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 564 Q C 2.179 178.079 176.000 -0.166 0.000 0.982 564 Q CA 2.148 57.945 55.803 -0.010 0.000 0.850 564 Q CB -0.617 28.197 28.738 0.126 0.000 0.901 564 Q HN 0.485 nan 8.270 nan 0.000 0.422 565 A N -0.843 121.930 122.820 -0.077 0.000 1.930 565 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 565 A C 2.292 179.726 177.584 -0.251 0.000 1.175 565 A CA 1.810 53.675 52.037 -0.287 0.000 0.627 565 A CB -0.967 17.754 19.000 -0.466 0.000 0.815 565 A HN 0.498 nan 8.150 nan 0.000 0.443 566 T N -0.276 114.222 114.554 -0.092 0.000 2.708 566 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 566 T C 1.892 176.501 174.700 -0.151 0.000 1.037 566 T CA 1.680 63.779 62.100 -0.001 0.000 1.146 566 T CB -0.438 68.271 68.868 -0.265 0.000 0.865 566 T HN 0.153 nan 8.240 nan 0.000 0.435 567 V N 0.915 120.635 119.914 -0.324 0.000 2.343 567 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 567 V C 2.841 178.794 176.094 -0.235 0.000 1.051 567 V CA 1.421 63.524 62.300 -0.328 0.000 1.036 567 V CB -0.791 30.731 31.823 -0.502 0.000 0.654 567 V HN 0.622 nan 8.190 nan 0.000 0.451 568 C N 0.161 119.309 119.300 -0.254 0.000 2.432 568 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 568 C C 3.108 178.029 174.990 -0.115 0.000 1.249 568 C CA 0.862 59.745 59.018 -0.226 0.000 1.725 568 C CB -1.372 26.169 27.740 -0.331 0.000 2.028 568 C HN 0.637 nan 8.230 nan 0.000 0.477 569 A N 0.464 123.253 122.820 -0.052 0.000 1.902 569 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 569 A C 2.210 179.820 177.584 0.044 0.000 1.181 569 A CA 1.457 53.531 52.037 0.062 0.000 0.623 569 A CB -0.531 18.637 19.000 0.281 0.000 0.818 569 A HN 0.685 nan 8.150 nan 0.000 0.443 570 R N -0.798 119.716 120.500 0.024 0.000 2.189 570 R HA 0.056 4.396 4.340 -0.000 0.000 0.218 570 R C 1.812 178.133 176.300 0.035 0.000 1.074 570 R CA 0.861 56.978 56.100 0.028 0.000 0.991 570 R CB -0.227 30.089 30.300 0.026 0.000 0.883 570 R HN 0.478 nan 8.270 nan 0.000 0.457 571 A N 0.541 123.375 122.820 0.023 0.000 2.308 571 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 571 A C 0.227 177.819 177.584 0.013 0.000 1.216 571 A CA -0.198 51.858 52.037 0.031 0.000 0.864 571 A CB 0.120 19.145 19.000 0.042 0.000 0.902 571 A HN 0.304 nan 8.150 nan 0.000 0.499 572 Q N -1.486 118.319 119.800 0.008 0.000 2.434 572 Q HA -0.240 4.099 4.340 -0.000 0.000 0.299 572 Q C 0.198 176.187 176.000 -0.018 0.000 1.286 572 Q CA 0.459 56.266 55.803 0.007 0.000 0.872 572 Q CB -2.167 26.593 28.738 0.037 0.000 1.193 572 Q HN 0.903 nan 8.270 nan 0.000 0.466 573 A N 0.111 122.896 122.820 -0.057 0.000 2.356 573 A HA 0.832 5.151 4.320 -0.000 0.000 0.323 573 A C -2.489 175.001 177.584 -0.158 0.000 1.119 573 A CA -1.701 50.282 52.037 -0.090 0.000 0.790 573 A CB 1.192 20.131 19.000 -0.101 0.000 1.273 573 A HN -0.046 nan 8.150 nan 0.000 0.452 574 P HA 0.325 nan 4.420 nan 0.000 0.274 574 P C -2.572 174.408 177.300 -0.533 0.000 1.237 574 P CA -1.191 61.740 63.100 -0.281 0.000 0.793 574 P CB 0.048 31.649 31.700 -0.166 0.000 0.977 575 P HA 0.181 nan 4.420 nan 0.000 0.275 575 P C -2.044 174.628 177.300 -1.046 0.000 1.266 575 P CA -1.678 60.752 63.100 -1.117 0.000 0.793 575 P CB -0.566 30.312 31.700 -1.370 0.000 1.074 576 P HA -0.113 nan 4.420 nan 0.000 0.217 576 P C 0.507 177.525 177.300 -0.470 0.000 1.148 576 P CA 1.755 64.460 63.100 -0.658 0.000 0.828 576 P CB -0.012 31.369 31.700 -0.531 0.000 0.783 577 S N -4.020 111.341 115.700 -0.564 0.000 2.672 577 S HA 0.324 4.794 4.470 -0.000 0.000 0.271 577 S C -1.206 173.183 174.600 -0.352 0.000 1.171 577 S CA -0.900 57.133 58.200 -0.278 0.000 0.817 577 S CB -0.004 63.205 63.200 0.016 0.000 1.150 577 S HN -0.009 nan 8.310 nan 0.000 0.478 578 W N 1.524 122.871 121.300 0.079 0.000 3.151 578 W HA 0.354 5.014 4.660 -0.000 0.000 0.424 578 W C 0.690 177.290 176.519 0.136 0.000 1.012 578 W CA -0.506 56.902 57.345 0.106 0.000 2.018 578 W CB 0.153 29.637 29.460 0.040 0.000 1.087 578 W HN 0.705 nan 8.180 nan 0.000 0.740 579 D N 1.279 121.870 120.400 0.319 0.000 2.390 579 D HA -0.113 4.527 4.640 -0.000 0.000 0.236 579 D C 1.624 178.018 176.300 0.157 0.000 1.189 579 D CA 0.511 54.634 54.000 0.205 0.000 0.887 579 D CB 1.090 41.985 40.800 0.158 0.000 1.198 579 D HN 0.341 nan 8.370 nan 0.000 0.444 580 Q N 2.298 122.139 119.800 0.068 0.000 2.234 580 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 580 Q C 2.159 178.113 176.000 -0.077 0.000 0.980 580 Q CA 1.296 57.114 55.803 0.025 0.000 0.869 580 Q CB -0.351 28.390 28.738 0.004 0.000 0.912 580 Q HN 0.629 nan 8.270 nan 0.000 0.436 581 M N -0.005 119.462 119.600 -0.221 0.000 2.195 581 M HA -0.164 4.316 4.480 -0.000 0.000 0.260 581 M C 0.321 176.209 176.300 -0.687 0.000 1.066 581 M CA 1.782 56.754 55.300 -0.546 0.000 1.089 581 M CB 0.011 32.113 32.600 -0.829 0.000 1.377 581 M HN 0.376 nan 8.290 nan 0.000 0.411 582 W N 0.651 121.928 121.300 -0.038 0.000 3.223 582 W HA 0.192 4.852 4.660 -0.000 0.000 0.389 582 W C 1.652 178.161 176.519 -0.018 0.000 1.118 582 W CA -0.464 56.816 57.345 -0.108 0.000 1.902 582 W CB -0.050 29.253 29.460 -0.261 0.000 1.094 582 W HN 0.236 nan 8.180 nan 0.000 0.666 583 K N 0.213 120.703 120.400 0.149 0.000 2.360 583 K HA -0.210 4.110 4.320 -0.000 0.000 0.201 583 K C 1.741 178.412 176.600 0.119 0.000 1.046 583 K CA 1.646 58.031 56.287 0.163 0.000 0.940 583 K CB -1.059 31.494 32.500 0.088 0.000 0.748 583 K HN 0.368 nan 8.250 nan 0.000 0.465 584 C N -0.256 119.070 119.300 0.043 0.000 2.437 584 C HA 0.146 4.605 4.460 -0.000 0.000 0.283 584 C C 1.802 176.775 174.990 -0.028 0.000 1.424 584 C CA -0.321 58.689 59.018 -0.012 0.000 1.782 584 C CB -0.864 26.824 27.740 -0.088 0.000 1.833 584 C HN 0.371 nan 8.230 nan 0.000 0.532 585 L N 0.794 122.035 121.223 0.030 0.000 2.607 585 L HA 0.335 4.675 4.340 -0.000 0.000 0.228 585 L C 2.276 179.334 176.870 0.313 0.000 1.123 585 L CA 0.383 55.286 54.840 0.106 0.000 0.890 585 L CB -0.842 41.236 42.059 0.032 0.000 1.103 585 L HN 0.366 nan 8.230 nan 0.000 0.468 586 I N -0.457 120.278 120.570 0.274 0.000 2.194 586 I HA -0.357 3.813 4.170 -0.000 0.000 0.246 586 I C 2.271 178.381 176.117 -0.011 0.000 1.093 586 I CA 1.272 62.630 61.300 0.097 0.000 1.355 586 I CB -0.252 37.776 38.000 0.048 0.000 1.046 586 I HN 0.310 nan 8.210 nan 0.000 0.413 587 R N 0.378 120.912 120.500 0.056 0.000 2.189 587 R HA -0.017 4.322 4.340 -0.000 0.000 0.218 587 R C 2.077 178.403 176.300 0.043 0.000 1.074 587 R CA 0.801 56.925 56.100 0.039 0.000 0.991 587 R CB -0.047 30.297 30.300 0.073 0.000 0.883 587 R HN 0.372 nan 8.270 nan 0.000 0.457 588 L N 0.349 121.625 121.223 0.089 0.000 2.558 588 L HA 0.014 4.354 4.340 -0.000 0.000 0.225 588 L C 2.227 179.126 176.870 0.049 0.000 1.128 588 L CA 0.337 55.229 54.840 0.087 0.000 0.868 588 L CB -0.175 41.966 42.059 0.136 0.000 1.006 588 L HN 0.108 nan 8.230 nan 0.000 0.454 589 K N 1.445 121.851 120.400 0.010 0.000 2.052 589 K HA -0.205 4.115 4.320 -0.000 0.000 0.215 589 K C -0.635 175.902 176.600 -0.104 0.000 1.053 589 K CA 2.029 58.264 56.287 -0.086 0.000 0.934 589 K CB -0.760 31.420 32.500 -0.533 0.000 0.717 589 K HN 0.193 nan 8.250 nan 0.000 0.450 590 P HA -0.089 nan 4.420 nan 0.000 0.234 590 P C 0.591 177.848 177.300 -0.071 0.000 1.167 590 P CA 1.369 64.433 63.100 -0.062 0.000 0.763 590 P CB -0.012 31.674 31.700 -0.024 0.000 0.835 591 T N -4.037 110.448 114.554 -0.114 0.000 3.054 591 T HA 0.235 4.584 4.350 -0.000 0.000 0.255 591 T C 0.528 175.035 174.700 -0.322 0.000 1.035 591 T CA -0.204 61.834 62.100 -0.103 0.000 0.941 591 T CB -0.460 68.412 68.868 0.006 0.000 1.026 591 T HN -0.062 nan 8.240 nan 0.000 0.533 592 L N 2.000 122.953 121.223 -0.450 0.000 2.295 592 L HA 0.661 5.000 4.340 -0.000 0.000 0.285 592 L C -0.554 175.974 176.870 -0.570 0.000 1.035 592 L CA -1.001 53.641 54.840 -0.331 0.000 0.806 592 L CB 0.975 42.993 42.059 -0.069 0.000 1.214 592 L HN 0.315 nan 8.230 nan 0.000 0.426 593 H N 0.888 119.978 119.070 0.033 0.000 3.037 593 H HA 0.711 5.267 4.556 -0.000 0.000 0.355 593 H C 0.182 175.509 175.328 -0.002 0.000 1.263 593 H CA -0.068 55.993 56.048 0.023 0.000 1.129 593 H CB 2.034 31.807 29.762 0.019 0.000 1.861 593 H HN 0.815 nan 8.280 nan 0.000 0.546 594 G N 0.729 109.607 108.800 0.130 0.000 2.660 594 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 594 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 594 G C -2.783 172.116 174.900 -0.002 0.000 1.345 594 G CA -0.795 44.335 45.100 0.050 0.000 0.877 594 G HN 0.621 nan 8.290 nan 0.000 0.549 595 P HA 0.374 nan 4.420 nan 0.000 0.278 595 P C 0.041 177.281 177.300 -0.099 0.000 1.238 595 P CA 0.120 63.184 63.100 -0.059 0.000 0.794 595 P CB 0.764 32.437 31.700 -0.046 0.000 0.955 596 T N 4.627 119.090 114.554 -0.153 0.000 2.814 596 T HA 0.203 4.553 4.350 -0.000 0.000 0.297 596 T C -1.952 172.633 174.700 -0.192 0.000 0.956 596 T CA -0.954 61.013 62.100 -0.222 0.000 1.123 596 T CB -0.289 68.391 68.868 -0.313 0.000 0.902 596 T HN 0.350 nan 8.240 nan 0.000 0.528 597 P HA 0.176 nan 4.420 nan 0.000 0.260 597 P C -0.412 176.730 177.300 -0.265 0.000 1.651 597 P CA -0.586 62.410 63.100 -0.174 0.000 1.139 597 P CB 0.003 31.606 31.700 -0.161 0.000 1.756 598 L N 3.894 124.975 121.223 -0.237 0.000 2.360 598 L HA 0.096 4.435 4.340 -0.000 0.000 0.276 598 L C 1.078 177.743 176.870 -0.340 0.000 1.121 598 L CA 0.264 54.926 54.840 -0.296 0.000 0.845 598 L CB 0.255 42.181 42.059 -0.223 0.000 1.143 598 L HN 0.225 nan 8.230 nan 0.000 0.452 599 L N 5.502 126.386 121.223 -0.565 0.000 2.298 599 L HA 0.185 4.525 4.340 -0.000 0.000 0.209 599 L C -0.598 175.842 176.870 -0.716 0.000 1.084 599 L CA -0.064 54.324 54.840 -0.753 0.000 0.816 599 L CB -0.248 41.054 42.059 -1.262 0.000 0.967 599 L HN 0.720 nan 8.230 nan 0.000 0.460 600 Y N -2.916 117.220 120.300 -0.273 0.000 2.851 600 Y HA 0.464 5.014 4.550 -0.000 0.000 0.359 600 Y C -0.993 174.731 175.900 -0.295 0.000 1.231 600 Y CA -2.260 55.543 58.100 -0.496 0.000 1.106 600 Y CB 0.426 38.258 38.460 -1.046 0.000 1.409 600 Y HN -0.215 nan 8.280 nan 0.000 0.454 601 R N 1.213 121.690 120.500 -0.038 0.000 2.310 601 R HA 0.646 4.986 4.340 -0.000 0.000 0.324 601 R C -0.481 175.857 176.300 0.063 0.000 0.955 601 R CA -0.582 55.540 56.100 0.036 0.000 0.830 601 R CB 1.349 31.655 30.300 0.011 0.000 1.154 601 R HN 0.808 nan 8.270 nan 0.000 0.458 602 L N 1.276 122.576 121.223 0.129 0.000 2.858 602 L HA 0.410 4.749 4.340 -0.000 0.000 0.251 602 L C 0.756 177.681 176.870 0.091 0.000 1.149 602 L CA -0.172 54.712 54.840 0.073 0.000 0.955 602 L CB 0.983 43.092 42.059 0.082 0.000 1.289 602 L HN 0.854 nan 8.230 nan 0.000 0.542 603 G N -0.397 108.476 108.800 0.121 0.000 2.341 603 G HA2 0.498 4.458 3.960 -0.000 0.000 0.299 603 G HA3 0.498 4.458 3.960 -0.000 0.000 0.299 603 G C -1.524 173.438 174.900 0.104 0.000 1.274 603 G CA -0.151 45.013 45.100 0.107 0.000 0.853 603 G HN -0.056 nan 8.290 nan 0.000 0.493 604 A N -0.925 121.949 122.820 0.090 0.000 2.498 604 A HA 0.527 4.847 4.320 -0.000 0.000 0.239 604 A C 0.111 177.730 177.584 0.058 0.000 1.068 604 A CA 0.137 52.212 52.037 0.064 0.000 0.766 604 A CB 0.370 19.404 19.000 0.057 0.000 1.003 604 A HN 1.458 nan 8.150 nan 0.000 0.497 605 V N 3.780 123.703 119.914 0.015 0.000 2.334 605 V HA 0.190 4.309 4.120 -0.000 0.000 0.281 605 V C 0.686 176.756 176.094 -0.040 0.000 1.016 605 V CA -0.200 62.079 62.300 -0.036 0.000 0.832 605 V CB 0.753 32.540 31.823 -0.061 0.000 0.999 605 V HN 1.099 nan 8.190 nan 0.000 0.439 606 Q N 2.007 121.776 119.800 -0.053 0.000 2.339 606 Q HA 0.085 4.425 4.340 -0.000 0.000 0.205 606 Q C 0.819 176.789 176.000 -0.050 0.000 0.925 606 Q CA 0.182 55.967 55.803 -0.031 0.000 0.898 606 Q CB 0.354 29.093 28.738 0.001 0.000 1.013 606 Q HN 0.709 nan 8.270 nan 0.000 0.504 607 N N 1.622 120.261 118.700 -0.102 0.000 2.467 607 N HA -0.000 4.739 4.740 -0.000 0.000 0.262 607 N C -0.686 174.772 175.510 -0.087 0.000 1.234 607 N CA 0.032 53.022 53.050 -0.100 0.000 0.952 607 N CB 0.717 39.103 38.487 -0.170 0.000 1.158 607 N HN -0.022 nan 8.380 nan 0.000 0.463 608 E N -0.185 119.977 120.200 -0.062 0.000 2.436 608 E HA 0.106 4.455 4.350 -0.000 0.000 0.262 608 E C -0.663 175.889 176.600 -0.081 0.000 1.063 608 E CA 0.072 56.439 56.400 -0.056 0.000 0.944 608 E CB 0.701 30.379 29.700 -0.035 0.000 0.950 608 E HN 0.200 nan 8.360 nan 0.000 0.444 609 V N 1.617 121.487 119.914 -0.072 0.000 2.680 609 V HA 0.337 4.456 4.120 -0.000 0.000 0.309 609 V C -0.034 176.021 176.094 -0.065 0.000 1.052 609 V CA -0.605 61.642 62.300 -0.087 0.000 0.908 609 V CB 2.134 33.905 31.823 -0.086 0.000 1.001 609 V HN 0.688 nan 8.190 nan 0.000 0.431 610 T N 4.022 118.535 114.554 -0.068 0.000 2.863 610 T HA 0.613 4.963 4.350 -0.000 0.000 0.285 610 T C 0.066 174.743 174.700 -0.038 0.000 1.009 610 T CA -0.435 61.640 62.100 -0.042 0.000 0.989 610 T CB 1.105 69.956 68.868 -0.027 0.000 1.004 610 T HN 0.495 nan 8.240 nan 0.000 0.455 611 L N 3.728 124.938 121.223 -0.022 0.000 2.818 611 L HA 0.224 4.564 4.340 -0.000 0.000 0.243 611 L C 2.227 179.104 176.870 0.011 0.000 1.185 611 L CA -0.100 54.733 54.840 -0.012 0.000 0.988 611 L CB -0.033 42.017 42.059 -0.015 0.000 1.292 611 L HN 0.820 nan 8.230 nan 0.000 0.519 612 T N -4.888 109.676 114.554 0.017 0.000 3.088 612 T HA -0.067 4.283 4.350 -0.000 0.000 0.259 612 T C 0.979 175.696 174.700 0.027 0.000 1.122 612 T CA 0.125 62.233 62.100 0.014 0.000 1.095 612 T CB -0.227 68.640 68.868 -0.001 0.000 0.930 612 T HN 0.201 nan 8.240 nan 0.000 0.508 613 H N 2.716 121.770 119.070 -0.027 0.000 2.764 613 H HA 0.155 4.711 4.556 -0.000 0.000 0.341 613 H C -1.739 173.594 175.328 0.008 0.000 1.072 613 H CA -1.712 54.325 56.048 -0.017 0.000 1.444 613 H CB 1.698 31.437 29.762 -0.038 0.000 1.458 613 H HN -0.019 nan 8.280 nan 0.000 0.572 614 P HA -0.200 nan 4.420 nan 0.000 0.216 614 P C 1.734 179.171 177.300 0.229 0.000 1.153 614 P CA 1.006 64.123 63.100 0.028 0.000 0.858 614 P CB 0.328 31.980 31.700 -0.081 0.000 0.789 615 I N -0.925 119.924 120.570 0.464 0.000 2.226 615 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 615 I C 1.999 178.255 176.117 0.231 0.000 1.100 615 I CA 1.843 63.339 61.300 0.327 0.000 1.374 615 I CB -2.122 36.044 38.000 0.276 0.000 1.057 615 I HN 0.031 nan 8.210 nan 0.000 0.413 616 T N 1.507 116.163 114.554 0.169 0.000 2.684 616 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 616 T C 1.926 176.678 174.700 0.086 0.000 1.036 616 T CA 1.422 63.560 62.100 0.064 0.000 1.148 616 T CB -0.163 68.717 68.868 0.020 0.000 0.863 616 T HN 0.370 nan 8.240 nan 0.000 0.436 617 K N 0.014 120.480 120.400 0.109 0.000 2.097 617 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 617 K C 2.149 178.805 176.600 0.094 0.000 1.049 617 K CA 1.268 57.603 56.287 0.081 0.000 0.933 617 K CB -0.362 32.180 32.500 0.071 0.000 0.717 617 K HN 0.414 nan 8.250 nan 0.000 0.442 618 Y N 1.967 122.292 120.300 0.042 0.000 2.181 618 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 618 Y C 1.879 177.797 175.900 0.030 0.000 1.146 618 Y CA 1.440 59.561 58.100 0.034 0.000 1.164 618 Y CB -0.132 38.353 38.460 0.042 0.000 0.982 618 Y HN -0.077 nan 8.280 nan 0.000 0.515 619 I N -0.407 120.220 120.570 0.094 0.000 2.353 619 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 619 I C 2.393 178.511 176.117 0.002 0.000 1.119 619 I CA 1.328 62.649 61.300 0.035 0.000 1.417 619 I CB -0.434 37.678 38.000 0.186 0.000 1.078 619 I HN 0.282 nan 8.210 nan 0.000 0.421 620 M N 0.701 120.310 119.600 0.014 0.000 2.106 620 M HA -0.250 4.230 4.480 -0.000 0.000 0.259 620 M C 2.581 178.858 176.300 -0.038 0.000 1.068 620 M CA 2.223 57.528 55.300 0.008 0.000 1.100 620 M CB -0.584 32.021 32.600 0.007 0.000 1.351 620 M HN 0.356 nan 8.290 nan 0.000 0.404 621 A N -0.546 122.214 122.820 -0.100 0.000 1.933 621 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 621 A C 2.248 179.730 177.584 -0.169 0.000 1.175 621 A CA 1.597 53.552 52.037 -0.136 0.000 0.628 621 A CB -1.261 17.638 19.000 -0.169 0.000 0.814 621 A HN 0.636 nan 8.150 nan 0.000 0.444 622 C N -0.391 118.757 119.300 -0.254 0.000 2.410 622 C HA -0.136 4.323 4.460 -0.000 0.000 0.281 622 C C 2.644 177.659 174.990 0.040 0.000 1.318 622 C CA 1.221 60.125 59.018 -0.189 0.000 1.776 622 C CB -1.136 26.416 27.740 -0.315 0.000 1.942 622 C HN 0.570 nan 8.230 nan 0.000 0.508 623 M N 0.663 120.298 119.600 0.057 0.000 2.549 623 M HA -0.042 4.437 4.480 -0.000 0.000 0.260 623 M C 1.912 178.145 176.300 -0.112 0.000 1.076 623 M CA 1.038 56.349 55.300 0.019 0.000 1.090 623 M CB -1.427 31.194 32.600 0.035 0.000 1.418 623 M HN 0.279 nan 8.290 nan 0.000 0.486 624 S N 0.469 116.117 115.700 -0.086 0.000 2.603 624 S HA 0.270 4.740 4.470 -0.000 0.000 0.220 624 S C 1.057 175.586 174.600 -0.119 0.000 0.967 624 S CA -0.008 58.132 58.200 -0.100 0.000 0.920 624 S CB -0.257 62.899 63.200 -0.073 0.000 0.773 624 S HN 0.504 nan 8.310 nan 0.000 0.529 625 A N 1.789 124.533 122.820 -0.127 0.000 2.448 625 A HA 0.229 4.549 4.320 -0.000 0.000 0.239 625 A C -0.165 177.300 177.584 -0.198 0.000 1.080 625 A CA -0.416 51.544 52.037 -0.128 0.000 0.779 625 A CB 0.044 19.000 19.000 -0.072 0.000 1.026 625 A HN 0.166 nan 8.150 nan 0.000 0.499 626 D N 0.428 120.741 120.400 -0.146 0.000 2.472 626 D HA 0.321 4.961 4.640 -0.000 0.000 0.248 626 D C -0.555 175.601 176.300 -0.240 0.000 1.174 626 D CA 1.141 55.051 54.000 -0.150 0.000 0.883 626 D CB 0.170 40.922 40.800 -0.080 0.000 1.149 626 D HN 0.347 nan 8.370 nan 0.000 0.488 627 L N 2.592 123.632 121.223 -0.305 0.000 2.377 627 L HA 0.238 4.578 4.340 -0.000 0.000 0.270 627 L C 0.358 177.129 176.870 -0.165 0.000 0.991 627 L CA -0.634 53.939 54.840 -0.446 0.000 0.851 627 L CB 1.677 43.174 42.059 -0.937 0.000 1.218 627 L HN 0.277 nan 8.230 nan 0.000 0.420 628 E N 3.658 123.873 120.200 0.025 0.000 2.290 628 E HA 0.422 4.771 4.350 -0.000 0.000 0.277 628 E C -1.041 175.654 176.600 0.160 0.000 1.035 628 E CA -0.407 56.036 56.400 0.072 0.000 0.873 628 E CB 1.324 31.049 29.700 0.041 0.000 1.029 628 E HN 0.404 nan 8.360 nan 0.000 0.419 629 V N 1.730 121.687 119.914 0.072 0.000 2.925 629 V HA 0.537 4.657 4.120 -0.000 0.000 0.311 629 V C 0.069 176.133 176.094 -0.051 0.000 1.104 629 V CA -1.093 61.245 62.300 0.063 0.000 0.954 629 V CB 1.131 33.026 31.823 0.120 0.000 1.022 629 V HN 0.473 nan 8.190 nan 0.000 0.427 630 V N 1.301 121.125 119.914 -0.150 0.000 2.924 630 V HA 0.810 4.930 4.120 -0.000 0.000 0.305 630 V C 0.508 176.510 176.094 -0.154 0.000 1.073 630 V CA 0.783 62.895 62.300 -0.313 0.000 1.098 630 V CB 0.696 32.084 31.823 -0.726 0.000 1.000 630 V HN 1.432 nan 8.190 nan 0.000 0.484 631 T N 0.000 114.474 114.554 -0.133 0.000 3.816 631 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 631 T CA 0.000 62.112 62.100 0.021 0.000 1.349 631 T CB 0.000 68.913 68.868 0.074 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658