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 2iir_1_H DATA FIRST_RESID 1 DATA SEQUENCE MRVLVINSGS SSIKYQLIEM EGEKVLCKGI AERIGIEGSR LVHRVGDEKH DATA SEQUENCE VIERELPDHE EALKLILNTL VDEKLGVIKD LKEIDAVGHR VVHGGERFKE DATA SEQUENCE SVLVDEEVLK AIEEVSPLAP LHNPANLMGI KAAMKLLPGV PNVAVFDTAF DATA SEQUENCE HQTIPQKAYL YAIPYEYYEK YKIRRYGFHG TSHRYVSKRA AEILGKKLEE DATA SEQUENCE LKIITCHIGN GASVAAVKYG KCVDTSMGFT PLEGLVMGTR SGDLDPAIPF DATA SEQUENCE FIMEKEGISP QEMYDILNKK SGVYGLSKGF SSDMRDIEEA ALKGDEWCKL DATA SEQUENCE VLEIYDYRIA KYIGAYAAAM NGVDAIVFTA GVGENSPITR EDVCSYLEFL DATA SEQUENCE GVKLDKQKNE ETIRGKEGII STPDSRVKVL VVPTNEELMI ARDTKEIVEK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.297 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 R N 2.607 123.102 120.500 -0.008 0.000 2.337 2 R HA 0.658 4.998 4.340 -0.000 0.000 0.319 2 R C -1.247 175.043 176.300 -0.016 0.000 0.954 2 R CA -0.569 55.525 56.100 -0.009 0.000 0.840 2 R CB 1.932 32.229 30.300 -0.006 0.000 1.164 2 R HN 0.419 nan 8.270 nan 0.000 0.472 3 V N 4.722 124.623 119.914 -0.020 0.000 2.427 3 V HA 0.286 4.406 4.120 -0.000 0.000 0.286 3 V C -0.329 175.743 176.094 -0.035 0.000 1.034 3 V CA -0.880 61.400 62.300 -0.034 0.000 0.893 3 V CB 1.581 33.380 31.823 -0.041 0.000 0.982 3 V HN 0.505 nan 8.190 nan 0.000 0.452 4 L N 6.710 127.902 121.223 -0.052 0.000 2.257 4 L HA 0.573 4.913 4.340 -0.000 0.000 0.290 4 L C -0.359 176.451 176.870 -0.100 0.000 1.044 4 L CA 0.306 55.113 54.840 -0.055 0.000 0.810 4 L CB 1.341 43.359 42.059 -0.068 0.000 1.193 4 L HN 0.453 nan 8.230 nan 0.000 0.425 5 V N 7.110 126.985 119.914 -0.066 0.000 2.394 5 V HA 0.457 4.577 4.120 -0.000 0.000 0.282 5 V C 0.237 176.287 176.094 -0.074 0.000 1.031 5 V CA -0.336 61.904 62.300 -0.100 0.000 0.881 5 V CB 1.289 33.068 31.823 -0.074 0.000 0.982 5 V HN 0.646 nan 8.190 nan 0.000 0.451 6 I N 4.489 124.966 120.570 -0.156 0.000 2.569 6 I HA 0.457 4.627 4.170 -0.000 0.000 0.296 6 I C -0.133 175.972 176.117 -0.021 0.000 1.028 6 I CA -0.370 60.882 61.300 -0.079 0.000 1.082 6 I CB 1.941 39.845 38.000 -0.161 0.000 1.264 6 I HN 0.676 nan 8.210 nan 0.000 0.429 7 N N 4.296 123.021 118.700 0.042 0.000 2.609 7 N HA 0.248 4.988 4.740 -0.000 0.000 0.268 7 N C -1.341 174.226 175.510 0.094 0.000 1.106 7 N CA -0.358 52.724 53.050 0.054 0.000 0.823 7 N CB 1.036 39.540 38.487 0.029 0.000 1.263 7 N HN 0.582 nan 8.380 nan 0.000 0.533 8 S N 1.408 117.176 115.700 0.114 0.000 2.420 8 S HA 0.548 5.018 4.470 -0.000 0.000 0.313 8 S C 0.627 175.305 174.600 0.130 0.000 1.079 8 S CA -0.781 57.509 58.200 0.149 0.000 1.104 8 S CB 1.534 64.827 63.200 0.156 0.000 0.969 8 S HN 0.499 nan 8.310 nan 0.000 0.471 9 G N 1.400 110.298 108.800 0.165 0.000 2.511 9 G HA2 0.439 4.399 3.960 -0.000 0.000 0.316 9 G HA3 0.439 4.399 3.960 -0.000 0.000 0.316 9 G C 0.921 175.943 174.900 0.203 0.000 1.210 9 G CA -0.422 44.770 45.100 0.153 0.000 0.969 9 G HN 0.812 nan 8.290 nan 0.000 0.492 10 S N -0.997 114.774 115.700 0.118 0.000 2.402 10 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 10 S C 1.991 176.687 174.600 0.161 0.000 1.030 10 S CA 1.930 60.206 58.200 0.126 0.000 1.003 10 S CB -0.133 63.076 63.200 0.016 0.000 0.813 10 S HN 0.445 nan 8.310 nan 0.000 0.477 11 S N 0.379 116.135 115.700 0.092 0.000 2.540 11 S HA 0.399 4.869 4.470 -0.000 0.000 0.222 11 S C 0.222 174.808 174.600 -0.023 0.000 1.008 11 S CA 0.078 58.289 58.200 0.018 0.000 0.939 11 S CB 0.108 63.314 63.200 0.011 0.000 0.865 11 S HN 0.820 nan 8.310 nan 0.000 0.499 12 S N 0.208 115.926 115.700 0.030 0.000 2.547 12 S HA 0.650 5.120 4.470 -0.000 0.000 0.270 12 S C -1.257 173.399 174.600 0.093 0.000 1.150 12 S CA -0.891 57.321 58.200 0.019 0.000 0.850 12 S CB 1.069 64.288 63.200 0.032 0.000 1.118 12 S HN 0.191 nan 8.310 nan 0.000 0.461 13 I N 2.061 122.683 120.570 0.088 0.000 2.404 13 I HA 0.499 4.669 4.170 -0.000 0.000 0.293 13 I C -0.279 175.925 176.117 0.144 0.000 0.992 13 I CA -0.690 60.699 61.300 0.147 0.000 1.149 13 I CB 1.972 40.070 38.000 0.163 0.000 1.315 13 I HN 0.803 nan 8.210 nan 0.000 0.446 14 K N 6.384 126.855 120.400 0.120 0.000 2.324 14 K HA 0.643 4.963 4.320 -0.000 0.000 0.253 14 K C -1.570 175.081 176.600 0.085 0.000 0.932 14 K CA -0.775 55.548 56.287 0.061 0.000 0.799 14 K CB 1.921 34.410 32.500 -0.018 0.000 1.154 14 K HN 0.569 nan 8.250 nan 0.000 0.425 15 Y N -1.036 119.259 120.300 -0.008 0.000 2.545 15 Y HA 0.483 5.033 4.550 -0.000 0.000 0.348 15 Y C -1.175 174.715 175.900 -0.017 0.000 1.002 15 Y CA -1.110 56.975 58.100 -0.026 0.000 1.039 15 Y CB 2.018 40.457 38.460 -0.035 0.000 1.271 15 Y HN 0.583 nan 8.280 nan 0.000 0.467 16 Q N 2.468 122.338 119.800 0.117 0.000 2.372 16 Q HA 0.502 4.842 4.340 -0.000 0.000 0.273 16 Q C -1.967 174.101 176.000 0.115 0.000 1.078 16 Q CA -1.211 54.635 55.803 0.072 0.000 0.806 16 Q CB 3.342 32.071 28.738 -0.015 0.000 1.332 16 Q HN 0.789 nan 8.270 nan 0.000 0.435 17 L N 3.693 124.989 121.223 0.121 0.000 2.335 17 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 17 L C -1.336 175.557 176.870 0.037 0.000 1.037 17 L CA -0.031 54.854 54.840 0.075 0.000 0.895 17 L CB 0.595 42.710 42.059 0.093 0.000 1.266 17 L HN 0.537 nan 8.230 nan 0.000 0.439 18 I N 3.034 123.610 120.570 0.010 0.000 2.353 18 I HA 0.297 4.467 4.170 -0.000 0.000 0.293 18 I C 0.175 176.290 176.117 -0.004 0.000 0.992 18 I CA -0.586 60.712 61.300 -0.003 0.000 1.268 18 I CB 1.530 39.517 38.000 -0.021 0.000 1.387 18 I HN 0.528 nan 8.210 nan 0.000 0.478 19 E N 5.688 125.888 120.200 -0.000 0.000 2.259 19 E HA 0.188 4.538 4.350 -0.000 0.000 0.281 19 E C 0.454 177.052 176.600 -0.004 0.000 1.027 19 E CA -0.438 55.961 56.400 -0.001 0.000 0.838 19 E CB 0.945 30.647 29.700 0.003 0.000 1.066 19 E HN 0.455 nan 8.360 nan 0.000 0.401 20 M N 2.861 122.458 119.600 -0.005 0.000 2.492 20 M HA 0.007 4.486 4.480 -0.000 0.000 0.262 20 M C 1.012 177.311 176.300 -0.000 0.000 1.090 20 M CA 1.095 56.392 55.300 -0.005 0.000 1.110 20 M CB -0.591 32.005 32.600 -0.007 0.000 1.407 20 M HN 0.653 nan 8.290 nan 0.000 0.470 21 E N -0.514 119.686 120.200 0.001 0.000 2.158 21 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 21 E C 1.777 178.380 176.600 0.004 0.000 0.982 21 E CA 1.136 57.537 56.400 0.003 0.000 0.823 21 E CB 0.008 29.710 29.700 0.003 0.000 0.766 21 E HN 0.546 nan 8.360 nan 0.000 0.468 22 G N 0.160 108.962 108.800 0.003 0.000 3.192 22 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.239 22 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.239 22 G C 0.009 174.911 174.900 0.004 0.000 1.084 22 G CA -0.367 44.735 45.100 0.004 0.000 0.784 22 G HN 0.090 nan 8.290 nan 0.000 0.540 23 E N -0.086 120.115 120.200 0.002 0.000 2.238 23 E HA -0.195 4.155 4.350 -0.000 0.000 0.219 23 E C -0.274 176.324 176.600 -0.003 0.000 1.275 23 E CA 0.635 57.034 56.400 -0.002 0.000 0.714 23 E CB -0.752 28.950 29.700 0.003 0.000 1.154 23 E HN 0.481 nan 8.360 nan 0.000 0.363 24 K N 0.090 120.489 120.400 -0.002 0.000 2.182 24 K HA 0.408 4.728 4.320 -0.000 0.000 0.262 24 K C -0.196 176.404 176.600 -0.001 0.000 0.957 24 K CA -0.730 55.556 56.287 -0.001 0.000 0.842 24 K CB 2.104 34.605 32.500 0.002 0.000 1.099 24 K HN -0.133 nan 8.250 nan 0.000 0.438 25 V N 5.452 125.364 119.914 -0.003 0.000 2.415 25 V HA -0.041 4.079 4.120 -0.000 0.000 0.267 25 V C 1.064 177.166 176.094 0.013 0.000 1.042 25 V CA 0.066 62.366 62.300 0.001 0.000 1.000 25 V CB 0.520 32.336 31.823 -0.011 0.000 1.015 25 V HN 0.689 nan 8.190 nan 0.000 0.478 26 L N 5.553 126.793 121.223 0.028 0.000 2.109 26 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 26 L C 0.964 177.870 176.870 0.060 0.000 1.086 26 L CA 1.300 56.164 54.840 0.039 0.000 0.760 26 L CB -0.417 41.669 42.059 0.045 0.000 0.910 26 L HN 0.954 nan 8.230 nan 0.000 0.437 27 C N -2.603 116.752 119.300 0.092 0.000 3.312 27 C HA 0.668 5.128 4.460 -0.000 0.000 0.332 27 C C -0.792 174.275 174.990 0.128 0.000 1.340 27 C CA -1.377 57.718 59.018 0.129 0.000 1.265 27 C CB 1.520 29.427 27.740 0.278 0.000 1.563 27 C HN 0.450 nan 8.230 nan 0.000 0.471 28 K N 1.721 122.154 120.400 0.055 0.000 2.522 28 K HA 0.971 5.291 4.320 -0.000 0.000 0.275 28 K C -0.329 176.038 176.600 -0.388 0.000 1.006 28 K CA 0.008 56.188 56.287 -0.178 0.000 0.890 28 K CB 1.796 34.197 32.500 -0.165 0.000 1.475 28 K HN 2.270 nan 8.250 nan 0.000 0.441 29 G N 0.255 108.445 108.800 -1.017 0.000 2.427 29 G HA2 0.476 4.436 3.960 -0.000 0.000 0.306 29 G HA3 0.476 4.436 3.960 -0.000 0.000 0.306 29 G C -2.055 172.450 174.900 -0.659 0.000 1.280 29 G CA -0.741 43.919 45.100 -0.734 0.000 0.837 29 G HN 0.731 nan 8.290 nan 0.000 0.482 30 I N -0.196 120.265 120.570 -0.180 0.000 2.644 30 I HA 0.665 4.835 4.170 -0.000 0.000 0.291 30 I C -0.464 175.720 176.117 0.112 0.000 1.180 30 I CA -1.090 60.206 61.300 -0.006 0.000 1.040 30 I CB 1.927 39.910 38.000 -0.028 0.000 1.255 30 I HN 0.971 nan 8.210 nan 0.000 0.422 31 A N 6.706 129.609 122.820 0.138 0.000 2.279 31 A HA 0.543 4.863 4.320 -0.000 0.000 0.306 31 A C -0.398 177.201 177.584 0.026 0.000 1.300 31 A CA -0.282 51.802 52.037 0.079 0.000 0.925 31 A CB 0.314 19.351 19.000 0.060 0.000 1.152 31 A HN 0.799 nan 8.150 nan 0.000 0.544 32 E N 0.949 121.157 120.200 0.014 0.000 2.227 32 E HA 0.513 4.863 4.350 -0.000 0.000 0.268 32 E C -0.278 176.311 176.600 -0.020 0.000 0.990 32 E CA -0.880 55.520 56.400 -0.001 0.000 0.856 32 E CB 0.869 30.572 29.700 0.005 0.000 1.159 32 E HN 0.630 nan 8.360 nan 0.000 0.401 33 R N 0.874 121.359 120.500 -0.024 0.000 3.422 33 R HA -0.203 4.137 4.340 -0.000 0.000 0.267 33 R C -0.424 175.847 176.300 -0.048 0.000 1.074 33 R CA 0.157 56.239 56.100 -0.029 0.000 0.718 33 R CB -2.066 28.224 30.300 -0.017 0.000 1.157 33 R HN 0.525 nan 8.270 nan 0.000 0.440 34 I N 0.457 120.976 120.570 -0.085 0.000 2.668 34 I HA -0.008 4.162 4.170 -0.000 0.000 0.285 34 I C 1.775 177.836 176.117 -0.093 0.000 1.168 34 I CA 1.632 62.854 61.300 -0.130 0.000 1.424 34 I CB 0.649 38.476 38.000 -0.288 0.000 1.377 34 I HN 0.579 nan 8.210 nan 0.000 0.560 35 G N 5.867 114.628 108.800 -0.065 0.000 2.383 35 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.229 35 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.229 35 G C 0.335 175.221 174.900 -0.023 0.000 1.089 35 G CA -0.153 44.925 45.100 -0.035 0.000 0.640 35 G HN 0.517 nan 8.290 nan 0.000 0.510 36 I N 1.364 121.919 120.570 -0.025 0.000 2.970 36 I HA 0.465 4.635 4.170 -0.000 0.000 0.310 36 I C 0.897 177.005 176.117 -0.016 0.000 1.010 36 I CA -0.742 60.548 61.300 -0.017 0.000 1.228 36 I CB 0.941 38.932 38.000 -0.015 0.000 1.433 36 I HN 0.263 nan 8.210 nan 0.000 0.573 37 E N 1.465 121.659 120.200 -0.011 0.000 2.383 37 E HA 0.248 4.598 4.350 -0.000 0.000 0.264 37 E C 0.598 177.193 176.600 -0.009 0.000 1.050 37 E CA 0.579 56.974 56.400 -0.009 0.000 0.896 37 E CB 0.619 30.315 29.700 -0.007 0.000 0.982 37 E HN 0.813 nan 8.360 nan 0.000 0.424 38 G N 2.987 111.783 108.800 -0.007 0.000 2.295 38 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.287 38 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.287 38 G C 0.006 174.902 174.900 -0.006 0.000 1.055 38 G CA 0.450 45.547 45.100 -0.005 0.000 0.922 38 G HN 0.632 nan 8.290 nan 0.000 0.503 39 S N -0.765 114.928 115.700 -0.011 0.000 2.579 39 S HA 0.750 5.220 4.470 -0.000 0.000 0.275 39 S C 0.416 175.013 174.600 -0.005 0.000 1.345 39 S CA 0.438 58.630 58.200 -0.014 0.000 1.031 39 S CB 1.654 64.838 63.200 -0.026 0.000 0.892 39 S HN 1.527 nan 8.310 nan 0.000 0.529 40 R N -0.064 120.437 120.500 0.001 0.000 2.712 40 R HA 0.675 5.015 4.340 -0.000 0.000 0.272 40 R C -2.110 174.207 176.300 0.030 0.000 1.032 40 R CA -1.129 54.980 56.100 0.015 0.000 0.874 40 R CB 0.753 31.064 30.300 0.019 0.000 1.256 40 R HN 0.559 nan 8.270 nan 0.000 0.468 41 L N 1.411 122.663 121.223 0.049 0.000 2.325 41 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 41 L C -1.370 175.568 176.870 0.114 0.000 1.004 41 L CA -0.660 54.232 54.840 0.086 0.000 0.823 41 L CB 2.151 44.258 42.059 0.080 0.000 1.236 41 L HN 0.536 nan 8.230 nan 0.000 0.415 42 V N 5.469 125.452 119.914 0.115 0.000 2.350 42 V HA 0.345 4.465 4.120 -0.000 0.000 0.276 42 V C -0.450 175.755 176.094 0.185 0.000 1.028 42 V CA -0.381 61.987 62.300 0.114 0.000 0.860 42 V CB 0.907 32.758 31.823 0.046 0.000 0.990 42 V HN 0.798 nan 8.190 nan 0.000 0.453 43 H N 6.042 125.174 119.070 0.102 0.000 2.658 43 H HA 0.577 5.133 4.556 -0.000 0.000 0.337 43 H C -0.518 174.884 175.328 0.123 0.000 1.009 43 H CA -1.004 55.133 56.048 0.147 0.000 1.231 43 H CB 1.091 30.984 29.762 0.219 0.000 1.508 43 H HN 0.569 nan 8.280 nan 0.000 0.517 44 R N 3.986 124.469 120.500 -0.028 0.000 2.338 44 R HA 0.361 4.701 4.340 -0.000 0.000 0.317 44 R C -1.081 175.110 176.300 -0.183 0.000 0.968 44 R CA -0.773 55.254 56.100 -0.122 0.000 0.849 44 R CB 2.152 32.408 30.300 -0.074 0.000 1.128 44 R HN 0.239 nan 8.270 nan 0.000 0.448 45 V N 3.801 123.611 119.914 -0.174 0.000 2.320 45 V HA 0.422 4.542 4.120 -0.000 0.000 0.268 45 V C 0.919 176.983 176.094 -0.051 0.000 1.021 45 V CA 0.070 62.306 62.300 -0.106 0.000 0.813 45 V CB 0.441 32.199 31.823 -0.109 0.000 1.054 45 V HN 1.116 nan 8.190 nan 0.000 0.444 46 G N 4.572 113.348 108.800 -0.041 0.000 2.565 46 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.295 46 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.295 46 G C 0.535 175.407 174.900 -0.046 0.000 1.165 46 G CA 0.740 45.820 45.100 -0.033 0.000 0.977 46 G HN 0.535 nan 8.290 nan 0.000 0.546 47 D N 2.071 122.445 120.400 -0.044 0.000 2.183 47 D HA 0.135 4.775 4.640 -0.000 0.000 0.203 47 D C 1.323 177.571 176.300 -0.087 0.000 0.969 47 D CA 1.270 55.237 54.000 -0.055 0.000 0.842 47 D CB -0.096 40.678 40.800 -0.043 0.000 0.957 47 D HN 0.687 nan 8.370 nan 0.000 0.484 48 E N 0.743 120.879 120.200 -0.106 0.000 2.354 48 E HA 0.213 4.563 4.350 -0.000 0.000 0.269 48 E C 0.102 176.535 176.600 -0.278 0.000 1.036 48 E CA -0.148 56.121 56.400 -0.217 0.000 0.876 48 E CB 1.284 30.872 29.700 -0.186 0.000 1.009 48 E HN -0.105 nan 8.360 nan 0.000 0.416 49 K N 3.353 123.534 120.400 -0.365 0.000 2.483 49 K HA 0.190 4.510 4.320 -0.000 0.000 0.256 49 K C -1.244 175.154 176.600 -0.336 0.000 0.961 49 K CA -0.546 55.590 56.287 -0.252 0.000 0.873 49 K CB 0.634 33.052 32.500 -0.135 0.000 1.107 49 K HN 0.540 nan 8.250 nan 0.000 0.432 50 H N 2.487 121.552 119.070 -0.008 0.000 2.459 50 H HA 0.280 4.835 4.556 -0.000 0.000 0.332 50 H C -0.719 174.646 175.328 0.062 0.000 1.094 50 H CA -0.782 55.284 56.048 0.030 0.000 1.224 50 H CB 1.949 31.741 29.762 0.050 0.000 1.449 50 H HN 0.194 nan 8.280 nan 0.000 0.484 51 V N 5.873 125.874 119.914 0.145 0.000 2.370 51 V HA 0.239 4.359 4.120 -0.000 0.000 0.283 51 V C 0.311 176.463 176.094 0.096 0.000 1.023 51 V CA -0.471 61.889 62.300 0.100 0.000 0.857 51 V CB 1.083 32.937 31.823 0.051 0.000 0.985 51 V HN 0.559 nan 8.190 nan 0.000 0.443 52 I N 4.954 125.576 120.570 0.087 0.000 2.355 52 I HA 0.421 4.591 4.170 -0.000 0.000 0.288 52 I C 0.060 176.199 176.117 0.037 0.000 0.999 52 I CA -0.612 60.723 61.300 0.059 0.000 1.163 52 I CB 1.519 39.550 38.000 0.052 0.000 1.316 52 I HN 0.500 nan 8.210 nan 0.000 0.454 53 E N 7.363 127.579 120.200 0.027 0.000 2.259 53 E HA 0.520 4.870 4.350 -0.000 0.000 0.281 53 E C -0.475 176.130 176.600 0.009 0.000 1.027 53 E CA -0.325 56.084 56.400 0.016 0.000 0.838 53 E CB 2.342 32.050 29.700 0.013 0.000 1.066 53 E HN 0.510 nan 8.360 nan 0.000 0.401 54 R N 1.856 122.358 120.500 0.003 0.000 2.824 54 R HA 0.063 4.403 4.340 -0.000 0.000 0.267 54 R C -1.244 175.051 176.300 -0.008 0.000 1.035 54 R CA -0.495 55.603 56.100 -0.003 0.000 0.887 54 R CB 1.230 31.527 30.300 -0.006 0.000 1.262 54 R HN 0.456 nan 8.270 nan 0.000 0.487 55 E N 3.026 123.220 120.200 -0.010 0.000 2.351 55 E HA 0.130 4.480 4.350 -0.000 0.000 0.266 55 E C -0.696 175.892 176.600 -0.020 0.000 1.031 55 E CA 0.329 56.720 56.400 -0.014 0.000 0.911 55 E CB 0.629 30.322 29.700 -0.012 0.000 0.986 55 E HN 0.246 nan 8.360 nan 0.000 0.446 56 L N 6.769 127.975 121.223 -0.027 0.000 2.417 56 L HA 0.253 4.593 4.340 -0.000 0.000 0.259 56 L C -1.683 175.160 176.870 -0.045 0.000 1.023 56 L CA -1.593 53.224 54.840 -0.038 0.000 0.901 56 L CB 1.422 43.450 42.059 -0.051 0.000 1.227 56 L HN 0.421 nan 8.230 nan 0.000 0.454 57 P HA -0.077 nan 4.420 nan 0.000 0.219 57 P C -0.273 177.012 177.300 -0.025 0.000 1.150 57 P CA 1.123 64.209 63.100 -0.024 0.000 0.814 57 P CB 0.231 31.925 31.700 -0.011 0.000 0.787 58 D N -2.894 117.490 120.400 -0.027 0.000 2.752 58 D HA 0.063 4.703 4.640 -0.000 0.000 0.313 58 D C 0.705 176.982 176.300 -0.038 0.000 1.225 58 D CA -0.750 53.247 54.000 -0.005 0.000 0.976 58 D CB -0.134 40.704 40.800 0.064 0.000 1.443 58 D HN -0.175 nan 8.370 nan 0.000 0.515 59 H N -0.634 118.437 119.070 0.001 0.000 2.423 59 H HA 0.014 4.570 4.556 -0.000 0.000 0.297 59 H C 1.642 176.970 175.328 -0.000 0.000 1.075 59 H CA 1.970 58.021 56.048 0.006 0.000 1.342 59 H CB 0.260 30.028 29.762 0.010 0.000 1.395 59 H HN 0.599 nan 8.280 nan 0.000 0.530 60 E N 0.665 120.932 120.200 0.112 0.000 2.017 60 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 60 E C 1.677 178.288 176.600 0.017 0.000 0.997 60 E CA 1.052 57.483 56.400 0.051 0.000 0.804 60 E CB 0.206 29.926 29.700 0.035 0.000 0.757 60 E HN 0.341 nan 8.360 nan 0.000 0.448 61 E N 0.274 120.477 120.200 0.006 0.000 2.160 61 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 61 E C 1.791 178.375 176.600 -0.026 0.000 0.991 61 E CA 1.023 57.416 56.400 -0.013 0.000 0.810 61 E CB -0.335 29.356 29.700 -0.015 0.000 0.742 61 E HN 0.400 nan 8.360 nan 0.000 0.466 62 A N 0.849 123.651 122.820 -0.029 0.000 1.873 62 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 62 A C 2.221 179.781 177.584 -0.039 0.000 1.186 62 A CA 1.152 53.165 52.037 -0.041 0.000 0.616 62 A CB -0.565 18.394 19.000 -0.069 0.000 0.823 62 A HN 0.262 nan 8.150 nan 0.000 0.442 63 L N -0.047 121.165 121.223 -0.019 0.000 2.083 63 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 63 L C 2.212 179.034 176.870 -0.079 0.000 1.083 63 L CA 2.440 57.254 54.840 -0.043 0.000 0.752 63 L CB -0.612 41.447 42.059 0.000 0.000 0.899 63 L HN 0.461 nan 8.230 nan 0.000 0.433 64 K N -0.812 119.555 120.400 -0.055 0.000 2.001 64 K HA -0.254 4.066 4.320 -0.000 0.000 0.214 64 K C 2.133 178.682 176.600 -0.085 0.000 1.050 64 K CA 2.100 58.351 56.287 -0.061 0.000 0.934 64 K CB -0.481 31.995 32.500 -0.039 0.000 0.718 64 K HN 0.297 nan 8.250 nan 0.000 0.443 65 L N 1.422 122.598 121.223 -0.079 0.000 2.081 65 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 65 L C 1.880 178.660 176.870 -0.150 0.000 1.080 65 L CA 1.582 56.369 54.840 -0.089 0.000 0.754 65 L CB -0.263 41.760 42.059 -0.060 0.000 0.893 65 L HN 0.299 nan 8.230 nan 0.000 0.433 66 I N -1.244 119.203 120.570 -0.204 0.000 2.142 66 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 66 I C 2.376 178.267 176.117 -0.377 0.000 1.078 66 I CA 1.510 62.573 61.300 -0.394 0.000 1.343 66 I CB -0.409 37.275 38.000 -0.527 0.000 1.046 66 I HN 0.230 nan 8.210 nan 0.000 0.405 67 L N 0.433 121.501 121.223 -0.259 0.000 2.012 67 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 67 L C 2.420 179.198 176.870 -0.154 0.000 1.073 67 L CA 1.323 56.046 54.840 -0.195 0.000 0.748 67 L CB -0.899 41.083 42.059 -0.130 0.000 0.891 67 L HN 0.347 nan 8.230 nan 0.000 0.431 68 N N -0.096 118.528 118.700 -0.128 0.000 2.061 68 N HA -0.190 4.550 4.740 -0.000 0.000 0.193 68 N C 1.849 177.297 175.510 -0.103 0.000 1.030 68 N CA 2.300 55.293 53.050 -0.096 0.000 0.856 68 N CB -0.531 37.910 38.487 -0.076 0.000 1.023 68 N HN 0.490 nan 8.380 nan 0.000 0.424 69 T N -1.081 113.385 114.554 -0.148 0.000 3.067 69 T HA 0.145 4.495 4.350 -0.000 0.000 0.261 69 T C 2.047 176.662 174.700 -0.141 0.000 1.110 69 T CA 0.128 62.142 62.100 -0.142 0.000 1.113 69 T CB -0.258 68.510 68.868 -0.166 0.000 0.917 69 T HN 0.088 nan 8.240 nan 0.000 0.499 70 L N 0.362 121.475 121.223 -0.182 0.000 2.275 70 L HA 0.034 4.374 4.340 -0.000 0.000 0.215 70 L C 2.365 179.215 176.870 -0.033 0.000 1.119 70 L CA 0.703 55.483 54.840 -0.101 0.000 0.790 70 L CB -0.186 41.791 42.059 -0.137 0.000 0.919 70 L HN 0.247 nan 8.230 nan 0.000 0.443 71 V N -1.872 118.013 119.914 -0.047 0.000 3.307 71 V HA -0.016 4.104 4.120 -0.000 0.000 0.244 71 V C 0.442 176.522 176.094 -0.022 0.000 1.196 71 V CA -0.072 62.209 62.300 -0.030 0.000 1.132 71 V CB 0.252 32.051 31.823 -0.039 0.000 0.875 71 V HN 0.339 nan 8.190 nan 0.000 0.468 72 D N 2.049 122.432 120.400 -0.029 0.000 2.662 72 D HA -0.149 4.491 4.640 -0.000 0.000 0.233 72 D C 1.213 177.502 176.300 -0.018 0.000 1.129 72 D CA 0.438 54.423 54.000 -0.026 0.000 0.851 72 D CB 0.510 41.291 40.800 -0.032 0.000 1.152 72 D HN 0.663 nan 8.370 nan 0.000 0.507 73 E N 2.760 122.950 120.200 -0.017 0.000 2.365 73 E HA -0.010 4.340 4.350 -0.000 0.000 0.188 73 E C 0.763 177.351 176.600 -0.019 0.000 1.102 73 E CA 0.029 56.421 56.400 -0.013 0.000 0.927 73 E CB 0.254 29.948 29.700 -0.010 0.000 1.073 73 E HN 0.429 nan 8.360 nan 0.000 0.467 74 K N 0.297 120.677 120.400 -0.034 0.000 2.286 74 K HA 0.195 4.515 4.320 -0.000 0.000 0.203 74 K C 1.315 177.859 176.600 -0.094 0.000 1.078 74 K CA 0.256 56.512 56.287 -0.052 0.000 0.957 74 K CB 0.443 32.909 32.500 -0.058 0.000 1.018 74 K HN 0.144 nan 8.250 nan 0.000 0.484 75 L N 0.348 121.505 121.223 -0.110 0.000 2.769 75 L HA 0.297 4.637 4.340 -0.000 0.000 0.240 75 L C 0.902 177.804 176.870 0.053 0.000 1.163 75 L CA -0.635 54.111 54.840 -0.156 0.000 0.962 75 L CB 0.927 42.856 42.059 -0.216 0.000 1.258 75 L HN 0.018 nan 8.230 nan 0.000 0.513 76 G N -0.509 108.314 108.800 0.038 0.000 2.537 76 G HA2 0.449 4.409 3.960 -0.000 0.000 0.297 76 G HA3 0.449 4.409 3.960 -0.000 0.000 0.297 76 G C 0.263 175.204 174.900 0.068 0.000 1.310 76 G CA -0.183 44.960 45.100 0.072 0.000 1.027 76 G HN -0.167 nan 8.290 nan 0.000 0.505 77 V N -0.558 119.392 119.914 0.061 0.000 3.363 77 V HA 0.245 4.365 4.120 -0.000 0.000 0.270 77 V C -0.092 176.020 176.094 0.030 0.000 1.667 77 V CA 0.259 62.590 62.300 0.053 0.000 1.034 77 V CB -0.149 31.727 31.823 0.087 0.000 0.857 77 V HN 0.646 nan 8.190 nan 0.000 0.410 78 I N -3.498 117.083 120.570 0.018 0.000 2.722 78 I HA 0.525 4.695 4.170 -0.000 0.000 0.295 78 I C 0.763 176.879 176.117 -0.002 0.000 1.161 78 I CA -0.732 60.572 61.300 0.006 0.000 1.032 78 I CB 2.088 40.088 38.000 0.000 0.000 1.244 78 I HN -0.226 nan 8.210 nan 0.000 0.421 79 K N 1.639 122.037 120.400 -0.003 0.000 2.001 79 K HA -0.001 4.318 4.320 -0.000 0.000 0.208 79 K C -0.242 176.351 176.600 -0.011 0.000 1.048 79 K CA 1.404 57.687 56.287 -0.006 0.000 0.932 79 K CB -0.148 32.349 32.500 -0.005 0.000 0.715 79 K HN 0.668 nan 8.250 nan 0.000 0.437 80 D N -0.842 119.551 120.400 -0.012 0.000 2.442 80 D HA 0.229 4.869 4.640 -0.000 0.000 0.254 80 D C 0.770 177.058 176.300 -0.020 0.000 1.069 80 D CA -0.453 53.538 54.000 -0.015 0.000 1.017 80 D CB 1.264 42.057 40.800 -0.012 0.000 1.172 80 D HN -0.170 nan 8.370 nan 0.000 0.561 81 L N 0.355 121.564 121.223 -0.024 0.000 2.509 81 L HA 0.125 4.465 4.340 -0.000 0.000 0.222 81 L C 1.952 178.808 176.870 -0.023 0.000 1.123 81 L CA 0.409 55.232 54.840 -0.029 0.000 0.856 81 L CB 0.007 42.046 42.059 -0.033 0.000 0.985 81 L HN 0.284 nan 8.230 nan 0.000 0.456 82 K N 0.201 120.591 120.400 -0.017 0.000 2.362 82 K HA -0.131 4.189 4.320 -0.000 0.000 0.200 82 K C 1.704 178.296 176.600 -0.012 0.000 1.046 82 K CA 0.686 56.965 56.287 -0.013 0.000 0.952 82 K CB 0.268 32.762 32.500 -0.010 0.000 0.753 82 K HN 0.265 nan 8.250 nan 0.000 0.466 83 E N 0.494 120.686 120.200 -0.013 0.000 2.150 83 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 83 E C 0.440 177.033 176.600 -0.012 0.000 0.985 83 E CA 0.661 57.055 56.400 -0.011 0.000 0.814 83 E CB -0.058 29.637 29.700 -0.009 0.000 0.752 83 E HN 0.349 nan 8.360 nan 0.000 0.466 84 I N 3.141 123.700 120.570 -0.018 0.000 2.576 84 I HA -0.078 4.092 4.170 -0.000 0.000 0.288 84 I C 1.179 177.286 176.117 -0.017 0.000 1.126 84 I CA 0.091 61.378 61.300 -0.021 0.000 1.362 84 I CB 0.354 38.335 38.000 -0.031 0.000 1.419 84 I HN -0.157 nan 8.210 nan 0.000 0.533 85 D N 5.490 125.881 120.400 -0.015 0.000 2.249 85 D HA 0.144 4.784 4.640 -0.000 0.000 0.205 85 D C 0.609 176.902 176.300 -0.012 0.000 0.962 85 D CA 0.698 54.692 54.000 -0.011 0.000 0.860 85 D CB 0.605 41.400 40.800 -0.008 0.000 0.955 85 D HN 0.638 nan 8.370 nan 0.000 0.505 86 A N -0.303 122.505 122.820 -0.018 0.000 2.601 86 A HA 0.538 4.858 4.320 -0.000 0.000 0.291 86 A C -1.532 176.029 177.584 -0.039 0.000 1.075 86 A CA -0.557 51.468 52.037 -0.020 0.000 0.671 86 A CB 1.579 20.569 19.000 -0.017 0.000 1.277 86 A HN -0.124 nan 8.150 nan 0.000 0.417 87 V N 0.541 120.429 119.914 -0.043 0.000 2.531 87 V HA 0.711 4.831 4.120 -0.000 0.000 0.301 87 V C 0.526 176.524 176.094 -0.160 0.000 1.034 87 V CA 0.006 62.238 62.300 -0.113 0.000 0.865 87 V CB 1.779 33.545 31.823 -0.095 0.000 0.995 87 V HN 1.440 nan 8.190 nan 0.000 0.424 88 G N 2.937 111.591 108.800 -0.244 0.000 2.422 88 G HA2 0.613 4.573 3.960 -0.000 0.000 0.317 88 G HA3 0.613 4.573 3.960 -0.000 0.000 0.317 88 G C -0.732 173.966 174.900 -0.337 0.000 1.210 88 G CA -0.353 44.623 45.100 -0.208 0.000 0.930 88 G HN 0.692 nan 8.290 nan 0.000 0.468 89 H N 1.563 120.559 119.070 -0.123 0.000 2.457 89 H HA 0.330 4.886 4.556 -0.000 0.000 0.335 89 H C -0.265 174.957 175.328 -0.177 0.000 1.115 89 H CA -0.593 55.378 56.048 -0.130 0.000 1.219 89 H CB 2.467 32.144 29.762 -0.142 0.000 1.471 89 H HN 0.438 nan 8.280 nan 0.000 0.491 90 R N 2.730 123.220 120.500 -0.017 0.000 2.216 90 R HA 0.283 4.623 4.340 -0.000 0.000 0.332 90 R C -1.235 175.029 176.300 -0.059 0.000 1.056 90 R CA -0.431 55.633 56.100 -0.060 0.000 0.901 90 R CB 0.174 30.460 30.300 -0.024 0.000 1.039 90 R HN 0.278 nan 8.270 nan 0.000 0.456 91 V N 6.439 126.262 119.914 -0.153 0.000 2.357 91 V HA 0.083 4.203 4.120 -0.000 0.000 0.284 91 V C 1.325 177.462 176.094 0.073 0.000 1.018 91 V CA -0.497 61.757 62.300 -0.078 0.000 0.841 91 V CB 1.529 33.217 31.823 -0.224 0.000 0.991 91 V HN 0.729 nan 8.190 nan 0.000 0.437 92 V N 3.442 123.428 119.914 0.120 0.000 2.231 92 V HA -0.168 3.951 4.120 -0.000 0.000 0.248 92 V C 0.999 177.255 176.094 0.269 0.000 1.054 92 V CA 1.738 64.131 62.300 0.154 0.000 1.015 92 V CB -0.397 31.461 31.823 0.057 0.000 0.638 92 V HN 0.839 nan 8.190 nan 0.000 0.444 93 H N -0.914 118.293 119.070 0.228 0.000 2.511 93 H HA 0.464 5.020 4.556 -0.000 0.000 0.328 93 H C 0.695 176.121 175.328 0.163 0.000 1.044 93 H CA 0.329 56.481 56.048 0.173 0.000 1.212 93 H CB 1.668 31.483 29.762 0.088 0.000 1.428 93 H HN 0.176 nan 8.280 nan 0.000 0.483 94 G N 2.314 111.265 108.800 0.251 0.000 2.939 94 G HA2 0.292 4.252 3.960 -0.000 0.000 0.216 94 G HA3 0.292 4.252 3.960 -0.000 0.000 0.216 94 G C 0.794 175.722 174.900 0.047 0.000 1.125 94 G CA 0.406 45.480 45.100 -0.044 0.000 0.766 94 G HN 1.010 nan 8.290 nan 0.000 0.541 95 G N 0.744 109.630 108.800 0.142 0.000 2.601 95 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.261 95 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.261 95 G C 0.629 175.538 174.900 0.015 0.000 1.289 95 G CA 0.365 45.415 45.100 -0.083 0.000 0.920 95 G HN 0.295 nan 8.290 nan 0.000 0.571 96 E N 0.168 120.405 120.200 0.063 0.000 2.358 96 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 96 E C 2.763 179.313 176.600 -0.085 0.000 1.010 96 E CA 0.651 57.078 56.400 0.045 0.000 0.856 96 E CB 0.062 29.810 29.700 0.079 0.000 0.795 96 E HN 0.476 nan 8.360 nan 0.000 0.504 97 R N 0.232 120.604 120.500 -0.213 0.000 2.070 97 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 97 R C 0.295 176.329 176.300 -0.443 0.000 1.138 97 R CA 0.885 56.730 56.100 -0.426 0.000 0.936 97 R CB -0.187 29.633 30.300 -0.799 0.000 0.839 97 R HN -0.016 nan 8.270 nan 0.000 0.429 98 F N 2.070 121.854 119.950 -0.277 0.000 2.404 98 F HA 0.172 4.699 4.527 -0.000 0.000 0.359 98 F C 1.148 176.829 175.800 -0.199 0.000 1.134 98 F CA -0.193 57.594 58.000 -0.355 0.000 1.160 98 F CB 0.998 39.388 39.000 -1.015 0.000 1.186 98 F HN -0.164 nan 8.300 nan 0.000 0.526 99 K N 2.481 122.933 120.400 0.087 0.000 2.314 99 K HA 0.033 4.353 4.320 -0.000 0.000 0.198 99 K C 0.340 177.026 176.600 0.143 0.000 1.045 99 K CA 0.577 56.914 56.287 0.084 0.000 0.988 99 K CB 0.336 32.870 32.500 0.057 0.000 0.783 99 K HN 0.738 nan 8.250 nan 0.000 0.484 100 E N -0.152 120.169 120.200 0.202 0.000 2.445 100 E HA 0.286 4.636 4.350 -0.000 0.000 0.279 100 E C -1.174 175.601 176.600 0.291 0.000 1.018 100 E CA -0.814 55.716 56.400 0.216 0.000 0.816 100 E CB 0.947 30.739 29.700 0.153 0.000 1.356 100 E HN -0.225 nan 8.360 nan 0.000 0.462 101 S N 0.179 116.007 115.700 0.215 0.000 2.558 101 S HA 0.267 4.737 4.470 -0.000 0.000 0.287 101 S C -0.069 174.621 174.600 0.150 0.000 1.321 101 S CA -0.379 57.910 58.200 0.148 0.000 1.048 101 S CB 0.530 63.749 63.200 0.032 0.000 0.844 101 S HN 0.375 nan 8.310 nan 0.000 0.512 102 V N 2.697 122.677 119.914 0.111 0.000 2.925 102 V HA 0.377 4.497 4.120 -0.000 0.000 0.311 102 V C -0.415 175.707 176.094 0.047 0.000 1.104 102 V CA -1.051 61.323 62.300 0.124 0.000 0.954 102 V CB 1.872 33.833 31.823 0.229 0.000 1.022 102 V HN 0.756 nan 8.190 nan 0.000 0.427 103 L N 4.362 125.620 121.223 0.058 0.000 2.410 103 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 103 L C -0.117 176.778 176.870 0.043 0.000 1.144 103 L CA 0.586 55.449 54.840 0.038 0.000 0.863 103 L CB 0.974 43.056 42.059 0.039 0.000 1.140 103 L HN 0.474 nan 8.230 nan 0.000 0.463 104 V N 6.078 126.002 119.914 0.017 0.000 2.470 104 V HA 0.293 4.413 4.120 -0.000 0.000 0.276 104 V C 0.071 176.178 176.094 0.022 0.000 1.040 104 V CA -0.360 61.946 62.300 0.010 0.000 1.008 104 V CB 0.407 32.207 31.823 -0.037 0.000 0.990 104 V HN 0.971 nan 8.190 nan 0.000 0.477 105 D N 3.512 123.936 120.400 0.040 0.000 2.727 105 D HA 0.298 4.938 4.640 -0.000 0.000 0.264 105 D C 0.745 177.067 176.300 0.036 0.000 1.101 105 D CA -0.748 53.273 54.000 0.034 0.000 1.122 105 D CB 0.803 41.627 40.800 0.039 0.000 1.390 105 D HN 0.146 nan 8.370 nan 0.000 0.606 106 E N -0.098 120.120 120.200 0.030 0.000 2.110 106 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 106 E C 1.600 178.226 176.600 0.043 0.000 0.988 106 E CA 1.066 57.482 56.400 0.028 0.000 0.804 106 E CB -0.024 29.688 29.700 0.019 0.000 0.745 106 E HN 0.469 nan 8.360 nan 0.000 0.458 107 E N 0.486 120.717 120.200 0.052 0.000 2.038 107 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 107 E C 2.348 179.014 176.600 0.110 0.000 1.000 107 E CA 0.850 57.289 56.400 0.064 0.000 0.803 107 E CB -0.355 29.381 29.700 0.060 0.000 0.750 107 E HN 0.104 nan 8.360 nan 0.000 0.448 108 V N 1.444 121.447 119.914 0.148 0.000 2.343 108 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 108 V C 2.518 178.739 176.094 0.212 0.000 1.051 108 V CA 1.252 63.707 62.300 0.258 0.000 1.036 108 V CB -0.456 31.495 31.823 0.214 0.000 0.654 108 V HN 0.135 nan 8.190 nan 0.000 0.451 109 L N 0.140 121.426 121.223 0.105 0.000 2.017 109 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 109 L C 2.454 179.368 176.870 0.073 0.000 1.073 109 L CA 2.161 57.037 54.840 0.060 0.000 0.745 109 L CB -0.691 41.379 42.059 0.018 0.000 0.894 109 L HN 0.269 nan 8.230 nan 0.000 0.432 110 K N -1.106 119.336 120.400 0.070 0.000 2.057 110 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 110 K C 1.960 178.605 176.600 0.076 0.000 1.050 110 K CA 1.201 57.521 56.287 0.055 0.000 0.935 110 K CB -0.170 32.353 32.500 0.038 0.000 0.715 110 K HN 0.362 nan 8.250 nan 0.000 0.439 111 A N 0.823 123.716 122.820 0.121 0.000 2.015 111 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 111 A C 1.961 179.685 177.584 0.233 0.000 1.163 111 A CA 1.053 53.167 52.037 0.129 0.000 0.646 111 A CB -0.419 18.650 19.000 0.116 0.000 0.806 111 A HN 0.330 nan 8.150 nan 0.000 0.448 112 I N -0.772 119.969 120.570 0.285 0.000 2.333 112 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 112 I C 2.373 178.571 176.117 0.136 0.000 1.106 112 I CA 1.087 62.549 61.300 0.268 0.000 1.411 112 I CB -0.354 37.764 38.000 0.195 0.000 1.082 112 I HN 0.403 nan 8.210 nan 0.000 0.420 113 E N 0.845 121.095 120.200 0.084 0.000 2.110 113 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 113 E C 1.943 178.559 176.600 0.027 0.000 0.988 113 E CA 1.170 57.594 56.400 0.041 0.000 0.804 113 E CB -0.070 29.645 29.700 0.025 0.000 0.745 113 E HN 0.500 nan 8.360 nan 0.000 0.458 114 E N 0.154 120.372 120.200 0.030 0.000 2.204 114 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 114 E C 1.898 178.487 176.600 -0.018 0.000 0.990 114 E CA 0.757 57.158 56.400 0.002 0.000 0.821 114 E CB 0.229 29.923 29.700 -0.009 0.000 0.750 114 E HN 0.073 nan 8.360 nan 0.000 0.477 115 V N 0.174 120.085 119.914 -0.005 0.000 3.052 115 V HA -0.107 4.013 4.120 -0.000 0.000 0.254 115 V C 1.999 178.034 176.094 -0.098 0.000 1.100 115 V CA 0.832 63.094 62.300 -0.063 0.000 1.112 115 V CB 0.185 32.005 31.823 -0.004 0.000 0.738 115 V HN 0.174 nan 8.190 nan 0.000 0.469 116 S N 0.963 116.648 115.700 -0.025 0.000 2.392 116 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 116 S C -0.234 174.335 174.600 -0.051 0.000 1.041 116 S CA 2.139 60.328 58.200 -0.019 0.000 1.026 116 S CB -1.219 61.984 63.200 0.005 0.000 0.845 116 S HN 0.521 nan 8.310 nan 0.000 0.465 117 P HA 0.004 nan 4.420 nan 0.000 0.228 117 P C 0.784 178.036 177.300 -0.080 0.000 1.151 117 P CA 0.777 63.852 63.100 -0.042 0.000 0.770 117 P CB -0.117 31.578 31.700 -0.008 0.000 0.786 118 L N -2.061 119.038 121.223 -0.207 0.000 2.591 118 L HA 0.230 4.570 4.340 -0.000 0.000 0.228 118 L C 0.909 177.590 176.870 -0.314 0.000 1.133 118 L CA 0.111 54.715 54.840 -0.395 0.000 0.880 118 L CB -0.140 41.403 42.059 -0.860 0.000 1.033 118 L HN -0.087 nan 8.230 nan 0.000 0.450 119 A N -0.912 121.841 122.820 -0.112 0.000 3.464 119 A HA 0.407 4.726 4.320 -0.000 0.000 0.243 119 A C -2.125 175.496 177.584 0.062 0.000 1.100 119 A CA -0.467 51.611 52.037 0.068 0.000 0.957 119 A CB -0.002 19.144 19.000 0.244 0.000 1.340 119 A HN -0.071 nan 8.150 nan 0.000 0.645 120 P HA -0.115 nan 4.420 nan 0.000 0.221 120 P C 1.161 178.433 177.300 -0.047 0.000 1.145 120 P CA 0.908 63.996 63.100 -0.020 0.000 0.795 120 P CB 0.187 31.868 31.700 -0.031 0.000 0.775 121 L N -2.526 118.645 121.223 -0.088 0.000 2.558 121 L HA 0.009 4.349 4.340 -0.000 0.000 0.225 121 L C 1.995 178.591 176.870 -0.457 0.000 1.128 121 L CA 0.678 55.359 54.840 -0.265 0.000 0.868 121 L CB -0.412 41.454 42.059 -0.321 0.000 1.006 121 L HN 0.202 nan 8.230 nan 0.000 0.454 122 H N -2.161 116.908 119.070 -0.001 0.000 2.179 122 H HA 0.149 4.705 4.556 -0.000 0.000 0.246 122 H C 1.411 176.744 175.328 0.009 0.000 0.904 122 H CA 0.139 56.191 56.048 0.006 0.000 1.113 122 H CB 0.107 29.874 29.762 0.009 0.000 1.396 122 H HN 0.106 nan 8.280 nan 0.000 0.484 123 N N 1.776 120.568 118.700 0.152 0.000 2.061 123 N HA -0.106 4.634 4.740 -0.000 0.000 0.193 123 N C -1.147 174.377 175.510 0.023 0.000 1.030 123 N CA 1.353 54.460 53.050 0.095 0.000 0.856 123 N CB -1.270 37.277 38.487 0.099 0.000 1.023 123 N HN 0.237 nan 8.380 nan 0.000 0.424 124 P HA -0.182 nan 4.420 nan 0.000 0.215 124 P C 0.912 178.155 177.300 -0.095 0.000 1.163 124 P CA 2.081 65.156 63.100 -0.042 0.000 0.894 124 P CB -0.144 31.531 31.700 -0.040 0.000 0.791 125 A N -1.129 121.625 122.820 -0.109 0.000 2.015 125 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 125 A C 2.021 179.485 177.584 -0.200 0.000 1.163 125 A CA 1.614 53.511 52.037 -0.234 0.000 0.646 125 A CB -1.191 17.732 19.000 -0.129 0.000 0.806 125 A HN 0.147 nan 8.150 nan 0.000 0.448 126 N N 0.516 119.170 118.700 -0.078 0.000 2.080 126 N HA -0.102 4.638 4.740 -0.000 0.000 0.189 126 N C 1.669 177.108 175.510 -0.118 0.000 1.036 126 N CA 1.413 54.430 53.050 -0.056 0.000 0.846 126 N CB -0.652 37.828 38.487 -0.012 0.000 1.015 126 N HN 0.477 nan 8.380 nan 0.000 0.423 127 L N 0.866 122.021 121.223 -0.112 0.000 2.013 127 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 127 L C 2.454 179.235 176.870 -0.147 0.000 1.073 127 L CA 1.177 55.940 54.840 -0.128 0.000 0.753 127 L CB -0.398 41.615 42.059 -0.077 0.000 0.890 127 L HN 0.175 nan 8.230 nan 0.000 0.432 128 M N -0.798 118.700 119.600 -0.171 0.000 2.144 128 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 128 M C 2.268 178.490 176.300 -0.131 0.000 1.067 128 M CA 2.006 57.194 55.300 -0.186 0.000 1.095 128 M CB -0.963 31.415 32.600 -0.370 0.000 1.365 128 M HN 0.427 nan 8.290 nan 0.000 0.406 129 G N 0.382 109.104 108.800 -0.131 0.000 2.404 129 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 129 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 129 G C 1.450 176.318 174.900 -0.054 0.000 1.174 129 G CA 0.547 45.649 45.100 0.003 0.000 0.780 129 G HN 0.386 nan 8.290 nan 0.000 0.537 130 I N 0.531 120.896 120.570 -0.343 0.000 2.099 130 I HA -0.197 3.973 4.170 -0.000 0.000 0.239 130 I C 2.835 178.823 176.117 -0.214 0.000 1.066 130 I CA 1.453 62.405 61.300 -0.580 0.000 1.324 130 I CB -0.230 37.424 38.000 -0.576 0.000 1.037 130 I HN 0.111 nan 8.210 nan 0.000 0.401 131 K N 0.859 121.175 120.400 -0.139 0.000 2.103 131 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 131 K C 2.241 178.821 176.600 -0.034 0.000 1.048 131 K CA 1.549 57.794 56.287 -0.071 0.000 0.930 131 K CB -0.295 32.171 32.500 -0.057 0.000 0.716 131 K HN 0.350 nan 8.250 nan 0.000 0.444 132 A N 1.540 124.349 122.820 -0.018 0.000 1.898 132 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 132 A C 2.382 179.978 177.584 0.021 0.000 1.181 132 A CA 1.764 53.809 52.037 0.012 0.000 0.620 132 A CB -0.597 18.427 19.000 0.041 0.000 0.819 132 A HN 0.329 nan 8.150 nan 0.000 0.442 133 A N -0.391 122.457 122.820 0.046 0.000 1.898 133 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 133 A C 2.238 179.847 177.584 0.040 0.000 1.181 133 A CA 1.702 53.783 52.037 0.074 0.000 0.620 133 A CB -0.544 18.580 19.000 0.208 0.000 0.819 133 A HN 0.533 nan 8.150 nan 0.000 0.442 134 M N -0.831 118.780 119.600 0.018 0.000 2.229 134 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 134 M C 2.225 178.525 176.300 0.001 0.000 1.063 134 M CA 1.873 57.176 55.300 0.006 0.000 1.114 134 M CB -0.344 32.249 32.600 -0.012 0.000 1.387 134 M HN 0.482 nan 8.290 nan 0.000 0.420 135 K N 1.364 121.763 120.400 -0.001 0.000 2.031 135 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 135 K C 1.686 178.284 176.600 -0.004 0.000 1.049 135 K CA 1.108 57.394 56.287 -0.003 0.000 0.939 135 K CB 0.024 32.522 32.500 -0.004 0.000 0.717 135 K HN 0.283 nan 8.250 nan 0.000 0.438 136 L N 0.716 121.937 121.223 -0.003 0.000 2.418 136 L HA 0.074 4.414 4.340 -0.000 0.000 0.218 136 L C 0.699 177.562 176.870 -0.012 0.000 1.125 136 L CA 0.283 55.117 54.840 -0.010 0.000 0.835 136 L CB 0.199 42.249 42.059 -0.015 0.000 0.953 136 L HN 0.117 nan 8.230 nan 0.000 0.454 137 L N 1.648 122.868 121.223 -0.006 0.000 2.679 137 L HA 0.336 4.676 4.340 -0.000 0.000 0.238 137 L C -2.327 174.543 176.870 -0.001 0.000 1.330 137 L CA -1.677 53.159 54.840 -0.007 0.000 0.935 137 L CB 0.500 42.555 42.059 -0.007 0.000 1.243 137 L HN -0.141 nan 8.230 nan 0.000 0.484 138 P HA 0.086 nan 4.420 nan 0.000 0.265 138 P C 1.034 178.334 177.300 -0.000 0.000 1.193 138 P CA 0.993 64.093 63.100 -0.001 0.000 0.765 138 P CB 1.301 32.999 31.700 -0.003 0.000 0.823 139 G N 1.624 110.425 108.800 0.002 0.000 2.299 139 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 139 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 139 G C 0.020 174.922 174.900 0.004 0.000 1.027 139 G CA 0.020 45.121 45.100 0.003 0.000 0.619 139 G HN 0.550 nan 8.290 nan 0.000 0.513 140 V N 4.470 124.386 119.914 0.004 0.000 2.521 140 V HA 0.389 4.509 4.120 -0.000 0.000 0.286 140 V C -1.019 175.081 176.094 0.012 0.000 1.034 140 V CA -0.805 61.498 62.300 0.004 0.000 1.045 140 V CB 0.945 32.768 31.823 0.001 0.000 0.974 140 V HN 0.358 nan 8.190 nan 0.000 0.480 141 P HA 0.178 nan 4.420 nan 0.000 0.271 141 P C -0.872 176.444 177.300 0.027 0.000 1.216 141 P CA -0.255 62.855 63.100 0.016 0.000 0.776 141 P CB 0.633 32.340 31.700 0.012 0.000 0.881 142 N N 0.916 119.640 118.700 0.041 0.000 2.362 142 N HA 0.441 5.181 4.740 -0.000 0.000 0.298 142 N C -1.003 174.539 175.510 0.054 0.000 1.048 142 N CA -0.721 52.379 53.050 0.084 0.000 0.858 142 N CB 1.659 40.220 38.487 0.123 0.000 1.218 142 N HN 0.072 nan 8.380 nan 0.000 0.488 143 V N 1.044 120.992 119.914 0.057 0.000 2.495 143 V HA 0.756 4.876 4.120 -0.000 0.000 0.298 143 V C -0.318 175.746 176.094 -0.050 0.000 1.031 143 V CA -0.872 61.423 62.300 -0.008 0.000 0.871 143 V CB 1.478 33.286 31.823 -0.026 0.000 0.988 143 V HN 0.811 nan 8.190 nan 0.000 0.432 144 A N 4.974 127.679 122.820 -0.191 0.000 2.274 144 A HA 0.778 5.098 4.320 -0.000 0.000 0.309 144 A C -0.650 176.553 177.584 -0.634 0.000 1.226 144 A CA -0.414 51.343 52.037 -0.467 0.000 0.853 144 A CB 0.917 19.492 19.000 -0.707 0.000 1.146 144 A HN 0.686 nan 8.150 nan 0.000 0.518 145 V N 3.130 122.706 119.914 -0.563 0.000 2.409 145 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 145 V C -0.938 174.892 176.094 -0.440 0.000 1.020 145 V CA -0.262 61.802 62.300 -0.393 0.000 0.848 145 V CB 0.751 32.470 31.823 -0.173 0.000 0.990 145 V HN 0.700 nan 8.190 nan 0.000 0.430 146 F N 2.274 122.199 119.950 -0.043 0.000 2.405 146 F HA 0.378 4.905 4.527 -0.000 0.000 0.355 146 F C 1.421 177.216 175.800 -0.008 0.000 1.121 146 F CA -0.532 57.451 58.000 -0.027 0.000 1.112 146 F CB 1.033 40.021 39.000 -0.020 0.000 1.126 146 F HN 0.458 nan 8.300 nan 0.000 0.481 147 D N 0.882 121.382 120.400 0.167 0.000 2.228 147 D HA -0.159 4.481 4.640 -0.000 0.000 0.203 147 D C 2.174 178.514 176.300 0.066 0.000 0.988 147 D CA 1.912 55.989 54.000 0.127 0.000 0.864 147 D CB 0.045 40.956 40.800 0.185 0.000 0.928 147 D HN 0.636 nan 8.370 nan 0.000 0.469 148 T N -3.103 111.457 114.554 0.010 0.000 3.044 148 T HA 0.364 4.714 4.350 -0.000 0.000 0.250 148 T C 1.925 176.624 174.700 -0.003 0.000 1.081 148 T CA 0.535 62.566 62.100 -0.114 0.000 1.040 148 T CB 0.383 69.049 68.868 -0.336 0.000 0.962 148 T HN 0.009 nan 8.240 nan 0.000 0.506 149 A N 1.567 124.433 122.820 0.077 0.000 1.877 149 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 149 A C 1.884 179.521 177.584 0.088 0.000 1.186 149 A CA 1.241 53.342 52.037 0.107 0.000 0.620 149 A CB -1.220 17.908 19.000 0.213 0.000 0.822 149 A HN 0.483 nan 8.150 nan 0.000 0.443 150 F N 0.800 120.668 119.950 -0.137 0.000 2.236 150 F HA -0.216 4.311 4.527 -0.000 0.000 0.302 150 F C 2.053 177.756 175.800 -0.162 0.000 1.073 150 F CA 1.869 59.761 58.000 -0.180 0.000 1.336 150 F CB -0.310 38.530 39.000 -0.267 0.000 1.040 150 F HN 0.414 nan 8.300 nan 0.000 0.507 151 H N -0.883 118.115 119.070 -0.120 0.000 2.548 151 H HA 0.108 4.664 4.556 0.000 0.000 0.265 151 H C 1.869 177.086 175.328 -0.185 0.000 0.969 151 H CA 0.448 56.352 56.048 -0.240 0.000 1.155 151 H CB -0.146 29.513 29.762 -0.173 0.000 1.394 151 H HN 0.319 nan 8.280 nan 0.000 0.570 152 Q N 0.543 120.328 119.800 -0.025 0.000 2.500 152 Q HA -0.053 4.287 4.340 -0.000 0.000 0.213 152 Q C 1.633 177.601 176.000 -0.053 0.000 0.974 152 Q CA 1.018 56.799 55.803 -0.036 0.000 0.918 152 Q CB -0.233 28.501 28.738 -0.007 0.000 0.980 152 Q HN 0.607 nan 8.270 nan 0.000 0.505 153 T N -2.856 111.646 114.554 -0.087 0.000 3.081 153 T HA 0.164 4.513 4.350 -0.000 0.000 0.255 153 T C 1.076 175.741 174.700 -0.058 0.000 1.113 153 T CA -0.260 61.796 62.100 -0.074 0.000 1.082 153 T CB 0.006 68.808 68.868 -0.109 0.000 0.939 153 T HN 0.051 nan 8.240 nan 0.000 0.506 154 I N 4.508 125.041 120.570 -0.061 0.000 2.821 154 I HA 0.084 4.254 4.170 -0.000 0.000 0.294 154 I C -1.641 174.544 176.117 0.113 0.000 1.210 154 I CA -1.596 59.693 61.300 -0.019 0.000 1.430 154 I CB 0.279 38.264 38.000 -0.025 0.000 1.356 154 I HN 0.127 nan 8.210 nan 0.000 0.563 155 P HA 0.013 nan 4.420 nan 0.000 0.273 155 P C -0.046 177.156 177.300 -0.164 0.000 1.250 155 P CA -0.255 62.840 63.100 -0.008 0.000 0.793 155 P CB 0.628 32.283 31.700 -0.076 0.000 1.011 156 Q N 0.486 120.070 119.800 -0.360 0.000 2.084 156 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 156 Q C 2.027 177.614 176.000 -0.688 0.000 0.978 156 Q CA 1.771 57.030 55.803 -0.906 0.000 0.844 156 Q CB -0.319 28.093 28.738 -0.543 0.000 0.898 156 Q HN 0.576 nan 8.270 nan 0.000 0.426 157 K N -0.248 119.928 120.400 -0.373 0.000 2.362 157 K HA -0.105 4.214 4.320 -0.000 0.000 0.202 157 K C 1.498 177.943 176.600 -0.258 0.000 1.045 157 K CA 1.471 57.597 56.287 -0.269 0.000 0.936 157 K CB -0.030 32.366 32.500 -0.173 0.000 0.747 157 K HN 0.088 nan 8.250 nan 0.000 0.467 158 A N 0.466 123.115 122.820 -0.285 0.000 2.192 158 A HA 0.117 4.437 4.320 -0.000 0.000 0.208 158 A C 1.391 178.851 177.584 -0.207 0.000 1.220 158 A CA -0.265 51.654 52.037 -0.196 0.000 0.900 158 A CB -0.130 18.789 19.000 -0.135 0.000 0.937 158 A HN 0.554 nan 8.150 nan 0.000 0.487 159 Y N -1.468 118.677 120.300 -0.260 0.000 2.444 159 Y HA 0.609 5.159 4.550 0.000 0.000 0.249 159 Y C 0.066 175.714 175.900 -0.420 0.000 1.134 159 Y CA -1.024 56.873 58.100 -0.340 0.000 1.261 159 Y CB -0.370 37.925 38.460 -0.274 0.000 1.143 159 Y HN -0.018 nan 8.280 nan 0.000 0.523 160 L N 2.116 123.079 121.223 -0.433 0.000 2.276 160 L HA 0.276 4.615 4.340 -0.000 0.000 0.286 160 L C -0.791 175.931 176.870 -0.246 0.000 1.061 160 L CA -0.786 53.888 54.840 -0.278 0.000 0.807 160 L CB 0.487 42.377 42.059 -0.282 0.000 1.177 160 L HN 0.078 nan 8.230 nan 0.000 0.429 161 Y N 1.235 121.562 120.300 0.045 0.000 2.300 161 Y HA 0.234 4.784 4.550 -0.000 0.000 0.328 161 Y C 0.881 176.814 175.900 0.055 0.000 1.270 161 Y CA -0.430 57.700 58.100 0.051 0.000 1.352 161 Y CB 1.037 39.534 38.460 0.062 0.000 1.286 161 Y HN 0.603 nan 8.280 nan 0.000 0.536 162 A N 4.279 127.229 122.820 0.217 0.000 3.074 162 A HA 0.353 4.673 4.320 -0.000 0.000 0.251 162 A C -0.011 177.663 177.584 0.150 0.000 1.695 162 A CA -0.074 52.044 52.037 0.134 0.000 1.343 162 A CB -1.942 17.113 19.000 0.091 0.000 1.078 162 A HN 0.617 nan 8.150 nan 0.000 0.644 163 I N -4.095 116.595 120.570 0.198 0.000 3.067 163 I HA 0.668 4.838 4.170 -0.000 0.000 0.312 163 I C -2.765 173.500 176.117 0.248 0.000 1.073 163 I CA -3.230 58.200 61.300 0.218 0.000 1.016 163 I CB 1.109 39.249 38.000 0.233 0.000 1.227 163 I HN -0.109 nan 8.210 nan 0.000 0.456 164 P HA -0.097 nan 4.420 nan 0.000 0.261 164 P C -0.271 177.138 177.300 0.183 0.000 1.165 164 P CA 0.403 63.589 63.100 0.143 0.000 0.759 164 P CB 0.109 31.791 31.700 -0.030 0.000 0.772 165 Y N 3.478 123.807 120.300 0.049 0.000 2.352 165 Y HA -0.213 4.337 4.550 -0.000 0.000 0.292 165 Y C 1.829 177.791 175.900 0.104 0.000 1.136 165 Y CA 1.603 59.759 58.100 0.094 0.000 1.227 165 Y CB -0.277 38.218 38.460 0.058 0.000 0.991 165 Y HN 0.374 nan 8.280 nan 0.000 0.545 166 E N -0.654 119.521 120.200 -0.042 0.000 2.197 166 E HA -0.294 4.056 4.350 -0.000 0.000 0.205 166 E C 1.731 178.229 176.600 -0.169 0.000 1.029 166 E CA 2.191 58.481 56.400 -0.182 0.000 0.828 166 E CB -0.667 28.863 29.700 -0.284 0.000 0.737 166 E HN 0.595 nan 8.360 nan 0.000 0.464 167 Y N -1.570 118.763 120.300 0.055 0.000 2.352 167 Y HA -0.140 4.410 4.550 -0.000 0.000 0.292 167 Y C 2.063 178.015 175.900 0.087 0.000 1.136 167 Y CA 0.929 59.105 58.100 0.126 0.000 1.227 167 Y CB -0.546 37.975 38.460 0.102 0.000 0.991 167 Y HN 0.209 nan 8.280 nan 0.000 0.545 168 Y N 0.682 120.967 120.300 -0.026 0.000 2.206 168 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 168 Y C 2.087 177.866 175.900 -0.202 0.000 1.123 168 Y CA 1.438 59.466 58.100 -0.119 0.000 1.142 168 Y CB -0.342 37.965 38.460 -0.256 0.000 1.006 168 Y HN 0.077 nan 8.280 nan 0.000 0.518 169 E N 0.408 120.363 120.200 -0.408 0.000 2.049 169 E HA -0.293 4.057 4.350 -0.000 0.000 0.198 169 E C 2.129 178.532 176.600 -0.328 0.000 1.007 169 E CA 1.943 58.118 56.400 -0.374 0.000 0.809 169 E CB -0.142 29.413 29.700 -0.241 0.000 0.749 169 E HN 0.397 nan 8.360 nan 0.000 0.450 170 K N -0.520 119.711 120.400 -0.282 0.000 2.067 170 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 170 K C 1.097 177.372 176.600 -0.541 0.000 1.048 170 K CA 1.028 57.057 56.287 -0.429 0.000 0.954 170 K CB 0.189 32.383 32.500 -0.509 0.000 0.737 170 K HN 0.117 nan 8.250 nan 0.000 0.444 171 Y N 0.364 120.641 120.300 -0.039 0.000 2.481 171 Y HA 0.285 4.835 4.550 -0.000 0.000 0.247 171 Y C -0.335 175.583 175.900 0.029 0.000 1.151 171 Y CA -0.560 57.546 58.100 0.011 0.000 1.238 171 Y CB 1.021 39.513 38.460 0.054 0.000 1.179 171 Y HN -0.133 nan 8.280 nan 0.000 0.524 172 K N 0.709 121.104 120.400 -0.009 0.000 3.096 172 K HA -0.198 4.122 4.320 -0.000 0.000 0.266 172 K C -0.634 176.182 176.600 0.361 0.000 1.043 172 K CA 0.557 56.828 56.287 -0.026 0.000 0.758 172 K CB -2.059 30.487 32.500 0.077 0.000 1.260 172 K HN 0.472 nan 8.250 nan 0.000 0.481 173 I N 2.318 123.047 120.570 0.266 0.000 2.347 173 I HA 0.088 4.258 4.170 -0.000 0.000 0.294 173 I C 1.161 177.481 176.117 0.340 0.000 1.090 173 I CA 0.074 61.426 61.300 0.088 0.000 1.314 173 I CB 0.227 38.083 38.000 -0.240 0.000 1.423 173 I HN 0.205 nan 8.210 nan 0.000 0.503 174 R N 5.632 126.347 120.500 0.359 0.000 2.810 174 R HA 0.533 4.873 4.340 -0.000 0.000 0.266 174 R C -0.823 175.541 176.300 0.107 0.000 1.061 174 R CA -1.147 55.062 56.100 0.181 0.000 0.943 174 R CB 1.210 31.532 30.300 0.036 0.000 1.237 174 R HN 0.393 nan 8.270 nan 0.000 0.459 175 R N 1.056 121.506 120.500 -0.084 0.000 2.370 175 R HA 0.100 4.440 4.340 -0.000 0.000 0.309 175 R C -0.521 175.609 176.300 -0.284 0.000 1.059 175 R CA 0.176 56.252 56.100 -0.040 0.000 0.981 175 R CB 0.320 30.542 30.300 -0.130 0.000 0.972 175 R HN 0.674 nan 8.270 nan 0.000 0.437 176 Y N 3.406 123.718 120.300 0.020 0.000 2.464 176 Y HA 0.274 4.824 4.550 0.000 0.000 0.288 176 Y C 1.302 176.940 175.900 -0.437 0.000 1.133 176 Y CA 0.978 58.944 58.100 -0.223 0.000 1.223 176 Y CB 0.212 38.483 38.460 -0.316 0.000 1.187 176 Y HN 0.965 nan 8.280 nan 0.000 0.539 177 G N 0.120 108.671 108.800 -0.414 0.000 2.733 177 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 177 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 177 G C -1.019 173.441 174.900 -0.735 0.000 1.373 177 G CA -0.715 44.054 45.100 -0.551 0.000 0.838 177 G HN 0.086 nan 8.290 nan 0.000 0.588 178 F N -1.463 118.516 119.950 0.049 0.000 2.726 178 F HA 0.697 5.224 4.527 -0.000 0.000 0.324 178 F C 1.110 177.013 175.800 0.173 0.000 1.140 178 F CA 0.167 58.189 58.000 0.037 0.000 0.964 178 F CB 1.245 40.104 39.000 -0.236 0.000 1.399 178 F HN 0.879 nan 8.300 nan 0.000 0.491 179 H N -1.405 117.846 119.070 0.301 0.000 2.899 179 H HA -0.173 4.383 4.556 -0.000 0.000 0.282 179 H C 1.404 176.825 175.328 0.156 0.000 1.198 179 H CA -0.009 56.057 56.048 0.031 0.000 1.140 179 H CB -1.317 28.312 29.762 -0.223 0.000 1.317 179 H HN 0.848 nan 8.280 nan 0.000 0.375 180 G N 0.400 109.346 108.800 0.244 0.000 2.459 180 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 180 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 180 G C 1.815 176.732 174.900 0.028 0.000 1.183 180 G CA 1.610 46.716 45.100 0.011 0.000 0.776 180 G HN 0.582 nan 8.290 nan 0.000 0.552 181 T N -2.064 112.492 114.554 0.003 0.000 3.085 181 T HA 0.063 4.413 4.350 -0.000 0.000 0.263 181 T C 2.303 176.968 174.700 -0.057 0.000 1.127 181 T CA 1.708 63.774 62.100 -0.056 0.000 1.103 181 T CB -0.032 68.812 68.868 -0.040 0.000 0.921 181 T HN 0.193 nan 8.240 nan 0.000 0.510 182 S N 0.036 115.705 115.700 -0.052 0.000 2.371 182 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 182 S C 1.996 176.571 174.600 -0.043 0.000 1.036 182 S CA 0.335 58.504 58.200 -0.051 0.000 0.965 182 S CB -0.547 62.535 63.200 -0.198 0.000 0.845 182 S HN 0.690 nan 8.310 nan 0.000 0.475 183 H N 1.126 120.220 119.070 0.040 0.000 2.387 183 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 183 H C 2.408 177.607 175.328 -0.214 0.000 1.099 183 H CA 1.724 57.815 56.048 0.072 0.000 1.315 183 H CB -0.297 29.655 29.762 0.316 0.000 1.380 183 H HN 0.386 nan 8.280 nan 0.000 0.513 184 R N 0.054 120.226 120.500 -0.546 0.000 2.081 184 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 184 R C 2.301 178.383 176.300 -0.363 0.000 1.131 184 R CA 1.378 56.844 56.100 -1.056 0.000 0.960 184 R CB -0.434 29.166 30.300 -1.168 0.000 0.856 184 R HN 0.243 nan 8.270 nan 0.000 0.436 185 Y N 0.985 121.127 120.300 -0.263 0.000 2.145 185 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 185 Y C 1.999 177.844 175.900 -0.092 0.000 1.145 185 Y CA 1.799 59.812 58.100 -0.146 0.000 1.148 185 Y CB -0.401 37.999 38.460 -0.100 0.000 0.981 185 Y HN 0.030 nan 8.280 nan 0.000 0.507 186 V N -1.216 118.570 119.914 -0.213 0.000 2.591 186 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 186 V C 2.255 178.242 176.094 -0.178 0.000 1.053 186 V CA 1.842 63.986 62.300 -0.260 0.000 1.068 186 V CB -1.349 30.441 31.823 -0.056 0.000 0.689 186 V HN 0.508 nan 8.190 nan 0.000 0.462 187 S N 1.066 116.708 115.700 -0.097 0.000 2.368 187 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 187 S C 2.081 176.638 174.600 -0.072 0.000 1.030 187 S CA 1.792 59.971 58.200 -0.036 0.000 0.999 187 S CB -0.612 62.620 63.200 0.054 0.000 0.844 187 S HN 0.739 nan 8.310 nan 0.000 0.459 188 K N 1.308 121.632 120.400 -0.126 0.000 2.025 188 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 188 K C 2.516 179.026 176.600 -0.150 0.000 1.049 188 K CA 1.176 57.395 56.287 -0.112 0.000 0.933 188 K CB -0.197 32.239 32.500 -0.107 0.000 0.714 188 K HN 0.266 nan 8.250 nan 0.000 0.438 189 R N 0.657 120.986 120.500 -0.285 0.000 2.081 189 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 189 R C 1.963 178.165 176.300 -0.163 0.000 1.131 189 R CA 1.731 57.656 56.100 -0.292 0.000 0.960 189 R CB -0.716 29.256 30.300 -0.547 0.000 0.856 189 R HN 0.342 nan 8.270 nan 0.000 0.436 190 A N 0.318 123.056 122.820 -0.138 0.000 1.877 190 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 190 A C 2.408 179.965 177.584 -0.044 0.000 1.186 190 A CA 1.879 53.872 52.037 -0.072 0.000 0.620 190 A CB -1.213 17.755 19.000 -0.053 0.000 0.822 190 A HN 0.497 nan 8.150 nan 0.000 0.443 191 A N -0.360 122.436 122.820 -0.039 0.000 1.908 191 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 191 A C 1.921 179.494 177.584 -0.017 0.000 1.181 191 A CA 1.902 53.929 52.037 -0.016 0.000 0.627 191 A CB -0.587 18.411 19.000 -0.003 0.000 0.818 191 A HN 0.653 nan 8.150 nan 0.000 0.445 192 E N -0.439 119.742 120.200 -0.032 0.000 2.077 192 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 192 E C 1.839 178.428 176.600 -0.019 0.000 0.989 192 E CA 1.260 57.645 56.400 -0.025 0.000 0.800 192 E CB -0.266 29.414 29.700 -0.034 0.000 0.746 192 E HN 0.713 nan 8.360 nan 0.000 0.452 193 I N 0.716 121.270 120.570 -0.026 0.000 2.361 193 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 193 I C 1.896 178.009 176.117 -0.007 0.000 1.133 193 I CA 0.936 62.226 61.300 -0.016 0.000 1.413 193 I CB -0.069 37.919 38.000 -0.019 0.000 1.073 193 I HN 0.122 nan 8.210 nan 0.000 0.424 194 L N 0.436 121.655 121.223 -0.006 0.000 2.554 194 L HA 0.159 4.499 4.340 -0.000 0.000 0.226 194 L C 1.463 178.334 176.870 0.002 0.000 1.137 194 L CA 0.406 55.246 54.840 0.000 0.000 0.863 194 L CB -0.522 41.538 42.059 0.002 0.000 0.985 194 L HN 0.449 nan 8.230 nan 0.000 0.451 195 G N 1.076 109.876 108.800 0.000 0.000 2.249 195 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.273 195 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.273 195 G C 0.067 174.969 174.900 0.005 0.000 1.036 195 G CA 0.313 45.414 45.100 0.002 0.000 0.824 195 G HN 0.407 nan 8.290 nan 0.000 0.504 196 K N -0.616 119.788 120.400 0.006 0.000 2.426 196 K HA 0.428 4.747 4.320 -0.000 0.000 0.251 196 K C 0.185 176.794 176.600 0.014 0.000 0.941 196 K CA -1.015 55.279 56.287 0.011 0.000 0.808 196 K CB 1.862 34.372 32.500 0.016 0.000 1.265 196 K HN 0.109 nan 8.250 nan 0.000 0.432 197 K N 1.726 122.136 120.400 0.016 0.000 2.448 197 K HA -0.006 4.314 4.320 -0.000 0.000 0.278 197 K C 1.058 177.680 176.600 0.037 0.000 1.009 197 K CA -0.169 56.130 56.287 0.020 0.000 0.995 197 K CB 0.494 33.002 32.500 0.013 0.000 0.917 197 K HN 0.342 nan 8.250 nan 0.000 0.481 198 L N 3.608 124.857 121.223 0.042 0.000 2.131 198 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 198 L C 1.025 177.959 176.870 0.108 0.000 1.092 198 L CA 1.916 56.795 54.840 0.066 0.000 0.759 198 L CB -0.315 41.780 42.059 0.060 0.000 0.903 198 L HN 0.608 nan 8.230 nan 0.000 0.435 199 E N 0.068 120.320 120.200 0.087 0.000 2.516 199 E HA -0.109 4.241 4.350 -0.000 0.000 0.199 199 E C 0.807 177.449 176.600 0.070 0.000 1.069 199 E CA 0.768 57.226 56.400 0.096 0.000 0.876 199 E CB -0.197 29.518 29.700 0.025 0.000 0.843 199 E HN 0.738 nan 8.360 nan 0.000 0.530 200 E N 0.350 120.613 120.200 0.105 0.000 2.887 200 E HA 0.219 4.569 4.350 -0.000 0.000 0.206 200 E C -0.409 176.323 176.600 0.219 0.000 0.983 200 E CA -0.152 56.312 56.400 0.106 0.000 1.141 200 E CB 0.259 29.961 29.700 0.003 0.000 1.061 200 E HN 0.072 nan 8.360 nan 0.000 0.468 201 L N 1.218 122.599 121.223 0.264 0.000 2.408 201 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 201 L C -0.560 176.352 176.870 0.069 0.000 0.986 201 L CA -1.039 53.889 54.840 0.147 0.000 0.820 201 L CB 2.508 44.615 42.059 0.079 0.000 1.303 201 L HN 0.011 nan 8.230 nan 0.000 0.411 202 K N 4.464 124.851 120.400 -0.021 0.000 2.292 202 K HA 0.584 4.904 4.320 -0.000 0.000 0.270 202 K C -1.007 175.561 176.600 -0.053 0.000 1.062 202 K CA -0.202 56.013 56.287 -0.120 0.000 0.916 202 K CB 1.194 33.591 32.500 -0.171 0.000 1.166 202 K HN 0.392 nan 8.250 nan 0.000 0.458 203 I N 4.145 124.694 120.570 -0.035 0.000 2.404 203 I HA 0.369 4.539 4.170 -0.000 0.000 0.293 203 I C -0.184 175.933 176.117 -0.000 0.000 0.992 203 I CA -0.867 60.428 61.300 -0.008 0.000 1.149 203 I CB 1.647 39.657 38.000 0.016 0.000 1.315 203 I HN 0.378 nan 8.210 nan 0.000 0.446 204 I N 5.218 125.789 120.570 0.002 0.000 2.330 204 I HA 0.249 4.419 4.170 -0.000 0.000 0.289 204 I C 0.101 176.232 176.117 0.024 0.000 1.001 204 I CA -0.318 61.002 61.300 0.034 0.000 1.193 204 I CB 1.521 39.551 38.000 0.050 0.000 1.345 204 I HN 0.587 nan 8.210 nan 0.000 0.461 205 T N 2.242 116.859 114.554 0.106 0.000 2.794 205 T HA 0.432 4.782 4.350 -0.000 0.000 0.280 205 T C -0.464 174.380 174.700 0.239 0.000 0.987 205 T CA -0.670 61.530 62.100 0.167 0.000 0.993 205 T CB 0.961 70.029 68.868 0.333 0.000 0.939 205 T HN 0.539 nan 8.240 nan 0.000 0.449 206 C N 5.019 124.381 119.300 0.103 0.000 2.242 206 C HA 0.355 4.815 4.460 -0.000 0.000 0.317 206 C C 0.422 175.514 174.990 0.169 0.000 1.087 206 C CA -0.935 58.167 59.018 0.139 0.000 1.535 206 C CB -1.597 26.139 27.740 -0.007 0.000 1.893 206 C HN 0.986 nan 8.230 nan 0.000 0.426 207 H N 3.847 122.972 119.070 0.090 0.000 3.067 207 H HA 0.386 4.942 4.556 -0.000 0.000 0.265 207 H C -0.772 174.546 175.328 -0.016 0.000 1.234 207 H CA 0.237 56.230 56.048 -0.092 0.000 1.452 207 H CB 0.213 29.726 29.762 -0.415 0.000 1.527 207 H HN 0.672 nan 8.280 nan 0.000 0.486 208 I N 5.869 126.349 120.570 -0.150 0.000 2.428 208 I HA 0.299 4.469 4.170 -0.000 0.000 0.279 208 I C 0.614 176.689 176.117 -0.069 0.000 1.040 208 I CA -0.212 61.084 61.300 -0.007 0.000 1.171 208 I CB 1.404 39.485 38.000 0.134 0.000 1.312 208 I HN 0.613 nan 8.210 nan 0.000 0.470 209 G N 3.458 112.223 108.800 -0.059 0.000 3.107 209 G HA2 0.090 4.050 3.960 -0.000 0.000 0.233 209 G HA3 0.090 4.050 3.960 -0.000 0.000 0.233 209 G C 0.392 175.350 174.900 0.097 0.000 1.168 209 G CA -0.356 44.729 45.100 -0.026 0.000 0.801 209 G HN 0.437 nan 8.290 nan 0.000 0.605 210 N N -0.231 118.520 118.700 0.086 0.000 2.223 210 N HA -0.033 4.707 4.740 -0.000 0.000 0.185 210 N C 1.001 176.603 175.510 0.154 0.000 1.016 210 N CA 1.080 54.198 53.050 0.112 0.000 0.863 210 N CB -0.099 38.437 38.487 0.082 0.000 0.983 210 N HN 0.466 nan 8.380 nan 0.000 0.429 211 G N -0.708 108.215 108.800 0.205 0.000 2.417 211 G HA2 0.671 4.631 3.960 -0.000 0.000 0.334 211 G HA3 0.671 4.631 3.960 -0.000 0.000 0.334 211 G C -1.499 173.616 174.900 0.358 0.000 1.150 211 G CA -0.319 44.955 45.100 0.289 0.000 0.923 211 G HN 0.295 nan 8.290 nan 0.000 0.485 212 A N 0.522 123.560 122.820 0.363 0.000 2.455 212 A HA 0.861 5.181 4.320 -0.000 0.000 0.300 212 A C -0.183 177.601 177.584 0.332 0.000 1.040 212 A CA -0.141 52.088 52.037 0.320 0.000 0.697 212 A CB 1.633 20.709 19.000 0.128 0.000 1.265 212 A HN 1.904 nan 8.150 nan 0.000 0.407 213 S N 0.402 116.371 115.700 0.449 0.000 2.588 213 S HA 0.832 5.302 4.470 -0.000 0.000 0.275 213 S C -1.017 173.808 174.600 0.376 0.000 1.130 213 S CA -0.687 57.728 58.200 0.359 0.000 0.855 213 S CB 1.475 64.965 63.200 0.484 0.000 1.116 213 S HN 1.128 nan 8.310 nan 0.000 0.472 214 V N 0.956 120.972 119.914 0.171 0.000 2.581 214 V HA 0.891 5.011 4.120 -0.000 0.000 0.303 214 V C 0.183 176.317 176.094 0.067 0.000 1.041 214 V CA -0.405 62.026 62.300 0.219 0.000 0.907 214 V CB 1.444 33.360 31.823 0.155 0.000 0.994 214 V HN 1.303 nan 8.190 nan 0.000 0.442 215 A N 2.965 125.713 122.820 -0.120 0.000 2.365 215 A HA 0.906 5.226 4.320 -0.000 0.000 0.318 215 A C -0.203 177.286 177.584 -0.158 0.000 1.091 215 A CA -0.460 51.390 52.037 -0.311 0.000 0.763 215 A CB 1.586 20.258 19.000 -0.547 0.000 1.248 215 A HN 1.324 nan 8.150 nan 0.000 0.442 216 A N 1.853 124.441 122.820 -0.386 0.000 2.280 216 A HA 0.572 4.892 4.320 -0.000 0.000 0.320 216 A C -0.566 176.889 177.584 -0.214 0.000 1.366 216 A CA -0.333 51.517 52.037 -0.312 0.000 0.938 216 A CB 0.030 18.695 19.000 -0.559 0.000 1.157 216 A HN 1.107 nan 8.150 nan 0.000 0.536 217 V N 4.227 124.085 119.914 -0.094 0.000 2.239 217 V HA 0.212 4.332 4.120 -0.000 0.000 0.267 217 V C 0.395 176.444 176.094 -0.075 0.000 1.056 217 V CA -0.444 61.836 62.300 -0.034 0.000 0.830 217 V CB 0.535 32.445 31.823 0.145 0.000 1.090 217 V HN 0.837 nan 8.190 nan 0.000 0.459 218 K N 4.201 124.510 120.400 -0.152 0.000 2.263 218 K HA 0.270 4.590 4.320 -0.000 0.000 0.282 218 K C -0.458 176.038 176.600 -0.173 0.000 1.089 218 K CA -0.438 55.675 56.287 -0.290 0.000 0.907 218 K CB 0.096 32.388 32.500 -0.347 0.000 1.148 218 K HN 0.550 nan 8.250 nan 0.000 0.470 219 Y N 2.054 122.358 120.300 0.006 0.000 3.589 219 Y HA -0.278 4.272 4.550 -0.000 0.000 0.218 219 Y C 1.028 176.946 175.900 0.029 0.000 1.234 219 Y CA 1.249 59.357 58.100 0.013 0.000 1.576 219 Y CB -2.242 36.220 38.460 0.004 0.000 1.487 219 Y HN 1.037 nan 8.280 nan 0.000 0.616 220 G N -1.472 107.426 108.800 0.163 0.000 2.241 220 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 220 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 220 G C 0.319 175.324 174.900 0.175 0.000 0.998 220 G CA 0.169 45.370 45.100 0.168 0.000 0.621 220 G HN 0.433 nan 8.290 nan 0.000 0.519 221 K N -0.043 120.402 120.400 0.075 0.000 2.164 221 K HA 0.571 4.891 4.320 -0.000 0.000 0.258 221 K C -0.066 176.416 176.600 -0.197 0.000 0.951 221 K CA -0.547 55.711 56.287 -0.048 0.000 0.844 221 K CB 2.309 34.792 32.500 -0.027 0.000 1.099 221 K HN 0.211 nan 8.250 nan 0.000 0.435 222 C N 2.907 121.920 119.300 -0.477 0.000 2.585 222 C HA 0.162 4.622 4.460 -0.000 0.000 0.406 222 C C 1.474 176.286 174.990 -0.296 0.000 1.312 222 C CA -0.237 58.492 59.018 -0.483 0.000 1.924 222 C CB -0.470 26.803 27.740 -0.777 0.000 2.578 222 C HN 0.715 nan 8.230 nan 0.000 0.580 223 V N 4.227 123.978 119.914 -0.270 0.000 3.635 223 V HA 0.309 4.429 4.120 -0.000 0.000 0.266 223 V C 0.220 176.154 176.094 -0.268 0.000 1.316 223 V CA 0.896 63.060 62.300 -0.228 0.000 1.060 223 V CB -0.097 31.606 31.823 -0.200 0.000 0.820 223 V HN 0.915 nan 8.190 nan 0.000 0.447 224 D N -1.556 118.609 120.400 -0.392 0.000 2.685 224 D HA 0.391 5.031 4.640 -0.000 0.000 0.236 224 D C -1.186 174.771 176.300 -0.572 0.000 1.233 224 D CA 0.115 53.837 54.000 -0.464 0.000 0.760 224 D CB 2.553 42.992 40.800 -0.601 0.000 1.410 224 D HN 0.027 nan 8.370 nan 0.000 0.439 225 T N -0.612 113.725 114.554 -0.362 0.000 2.900 225 T HA 0.391 4.741 4.350 -0.000 0.000 0.303 225 T C 1.117 175.834 174.700 0.029 0.000 1.142 225 T CA 0.285 62.225 62.100 -0.265 0.000 1.007 225 T CB 1.378 69.885 68.868 -0.601 0.000 1.156 225 T HN 0.281 nan 8.240 nan 0.000 0.490 226 S N 3.786 119.535 115.700 0.081 0.000 2.368 226 S HA 0.081 4.551 4.470 -0.000 0.000 0.224 226 S C 1.124 175.751 174.600 0.045 0.000 1.029 226 S CA 0.564 58.756 58.200 -0.014 0.000 0.988 226 S CB -0.531 62.424 63.200 -0.409 0.000 0.838 226 S HN 0.707 nan 8.310 nan 0.000 0.462 227 M N 1.115 120.748 119.600 0.054 0.000 2.202 227 M HA 0.448 4.928 4.480 -0.000 0.000 0.316 227 M C 1.173 177.586 176.300 0.187 0.000 1.138 227 M CA 0.213 55.602 55.300 0.148 0.000 1.151 227 M CB 0.822 33.555 32.600 0.223 0.000 1.422 227 M HN 0.466 nan 8.290 nan 0.000 0.471 228 G N -0.135 108.855 108.800 0.316 0.000 3.341 228 G HA2 0.206 4.166 3.960 -0.000 0.000 0.177 228 G HA3 0.206 4.166 3.960 -0.000 0.000 0.177 228 G C 0.078 175.287 174.900 0.514 0.000 1.236 228 G CA -0.287 45.062 45.100 0.415 0.000 0.888 228 G HN 0.678 nan 8.290 nan 0.000 0.644 229 F N 2.017 122.236 119.950 0.449 0.000 2.202 229 F HA 0.096 4.623 4.527 0.000 0.000 0.301 229 F C 1.499 177.660 175.800 0.601 0.000 1.082 229 F CA 1.808 60.121 58.000 0.520 0.000 1.313 229 F CB -0.073 39.151 39.000 0.373 0.000 1.024 229 F HN 0.453 nan 8.300 nan 0.000 0.495 230 T N -4.160 110.693 114.554 0.498 0.000 2.838 230 T HA 0.417 4.767 4.350 -0.000 0.000 0.292 230 T C -2.446 172.389 174.700 0.226 0.000 1.113 230 T CA -1.764 60.512 62.100 0.292 0.000 1.008 230 T CB 1.559 70.558 68.868 0.217 0.000 1.259 230 T HN -0.295 nan 8.240 nan 0.000 0.520 231 P HA 0.235 nan 4.420 nan 0.000 0.252 231 P C 0.814 178.124 177.300 0.016 0.000 1.265 231 P CA -0.022 63.013 63.100 -0.108 0.000 0.775 231 P CB -0.213 31.292 31.700 -0.325 0.000 1.128 232 L N -0.801 120.467 121.223 0.075 0.000 2.209 232 L HA 0.076 4.416 4.340 -0.000 0.000 0.207 232 L C 1.325 178.247 176.870 0.086 0.000 1.094 232 L CA 0.993 55.871 54.840 0.065 0.000 0.790 232 L CB -0.870 41.232 42.059 0.073 0.000 0.932 232 L HN 0.058 nan 8.230 nan 0.000 0.447 233 E N -0.992 119.286 120.200 0.130 0.000 2.390 233 E HA 0.371 4.721 4.350 -0.000 0.000 0.261 233 E C 0.797 177.454 176.600 0.095 0.000 1.076 233 E CA 0.624 57.108 56.400 0.140 0.000 0.905 233 E CB 0.405 30.229 29.700 0.207 0.000 0.984 233 E HN 0.220 nan 8.360 nan 0.000 0.427 234 G N 2.378 111.239 108.800 0.102 0.000 2.545 234 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.240 234 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.240 234 G C -0.284 174.595 174.900 -0.034 0.000 1.172 234 G CA -0.255 44.837 45.100 -0.013 0.000 0.949 234 G HN 0.568 nan 8.290 nan 0.000 0.574 235 L N 0.794 121.908 121.223 -0.182 0.000 2.482 235 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 235 L C 1.372 178.205 176.870 -0.061 0.000 1.228 235 L CA -0.586 54.169 54.840 -0.140 0.000 0.827 235 L CB 0.284 42.221 42.059 -0.204 0.000 1.099 235 L HN 0.459 nan 8.230 nan 0.000 0.494 236 V N 2.811 122.668 119.914 -0.095 0.000 2.540 236 V HA 0.009 4.129 4.120 -0.000 0.000 0.297 236 V C 0.534 176.658 176.094 0.049 0.000 1.024 236 V CA 0.609 62.910 62.300 0.002 0.000 1.105 236 V CB 0.628 32.491 31.823 0.067 0.000 0.938 236 V HN 0.616 nan 8.190 nan 0.000 0.482 237 M N 2.926 122.611 119.600 0.143 0.000 2.852 237 M HA 0.485 4.965 4.480 -0.000 0.000 0.301 237 M C 1.605 178.036 176.300 0.218 0.000 1.229 237 M CA -0.052 55.363 55.300 0.192 0.000 0.832 237 M CB 1.239 33.918 32.600 0.132 0.000 1.726 237 M HN 0.612 nan 8.290 nan 0.000 0.497 238 G N -0.219 108.692 108.800 0.185 0.000 2.491 238 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 238 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 238 G C 1.140 176.124 174.900 0.140 0.000 1.180 238 G CA 1.973 47.162 45.100 0.148 0.000 0.774 238 G HN 0.778 nan 8.290 nan 0.000 0.562 239 T N -3.361 111.250 114.554 0.094 0.000 3.087 239 T HA 0.396 4.746 4.350 -0.000 0.000 0.283 239 T C 0.779 175.498 174.700 0.032 0.000 0.956 239 T CA -0.498 61.635 62.100 0.056 0.000 0.894 239 T CB 0.521 69.369 68.868 -0.033 0.000 1.160 239 T HN 0.170 nan 8.240 nan 0.000 0.532 240 R N 1.600 122.127 120.500 0.045 0.000 2.486 240 R HA 0.524 4.864 4.340 -0.000 0.000 0.286 240 R C 1.289 177.617 176.300 0.048 0.000 0.999 240 R CA 0.176 56.286 56.100 0.017 0.000 0.993 240 R CB 1.351 31.657 30.300 0.010 0.000 1.084 240 R HN 0.316 nan 8.270 nan 0.000 0.487 241 S N 1.059 116.776 115.700 0.028 0.000 2.489 241 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 241 S C 1.163 175.800 174.600 0.060 0.000 0.995 241 S CA 0.290 58.520 58.200 0.050 0.000 0.934 241 S CB -0.282 62.937 63.200 0.032 0.000 0.771 241 S HN 0.999 nan 8.310 nan 0.000 0.522 242 G N 1.647 110.480 108.800 0.054 0.000 2.641 242 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 242 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 242 G C -0.942 174.004 174.900 0.077 0.000 1.315 242 G CA -0.122 45.015 45.100 0.063 0.000 0.907 242 G HN 0.474 nan 8.290 nan 0.000 0.572 243 D N 0.681 121.141 120.400 0.100 0.000 2.533 243 D HA 0.372 5.012 4.640 -0.000 0.000 0.236 243 D C 0.618 176.967 176.300 0.083 0.000 1.137 243 D CA 1.531 55.595 54.000 0.107 0.000 0.867 243 D CB 0.689 41.568 40.800 0.131 0.000 1.170 243 D HN 0.948 nan 8.370 nan 0.000 0.474 244 L N -0.369 120.899 121.223 0.075 0.000 2.540 244 L HA 0.415 4.755 4.340 -0.000 0.000 0.256 244 L C -0.399 176.512 176.870 0.068 0.000 1.001 244 L CA -1.222 53.658 54.840 0.067 0.000 0.843 244 L CB 0.796 42.892 42.059 0.062 0.000 1.436 244 L HN -0.022 nan 8.230 nan 0.000 0.410 245 D N 2.186 122.623 120.400 0.062 0.000 2.661 245 D HA 0.021 4.661 4.640 -0.000 0.000 0.244 245 D C -1.530 174.828 176.300 0.096 0.000 1.196 245 D CA -0.597 53.442 54.000 0.066 0.000 0.881 245 D CB 1.118 41.947 40.800 0.049 0.000 1.141 245 D HN 0.481 nan 8.370 nan 0.000 0.530 246 P HA -0.209 nan 4.420 nan 0.000 0.218 246 P C 0.830 178.305 177.300 0.291 0.000 1.150 246 P CA 1.930 65.130 63.100 0.167 0.000 0.841 246 P CB 0.165 31.943 31.700 0.130 0.000 0.784 247 A N -1.564 121.392 122.820 0.227 0.000 2.016 247 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 247 A C 2.146 179.932 177.584 0.338 0.000 1.162 247 A CA 0.704 52.921 52.037 0.299 0.000 0.662 247 A CB -1.303 17.782 19.000 0.142 0.000 0.812 247 A HN 0.107 nan 8.150 nan 0.000 0.450 248 I N 0.265 120.956 120.570 0.201 0.000 2.118 248 I HA -0.215 3.955 4.170 -0.000 0.000 0.241 248 I C -0.545 175.687 176.117 0.190 0.000 1.070 248 I CA 1.708 63.109 61.300 0.168 0.000 1.327 248 I CB -1.055 37.003 38.000 0.097 0.000 1.034 248 I HN 0.203 nan 8.210 nan 0.000 0.405 249 P HA -0.191 nan 4.420 nan 0.000 0.216 249 P C 1.577 178.825 177.300 -0.086 0.000 1.153 249 P CA 1.713 64.771 63.100 -0.070 0.000 0.858 249 P CB -0.123 31.421 31.700 -0.260 0.000 0.789 250 F N -2.358 117.657 119.950 0.108 0.000 2.186 250 F HA -0.097 4.430 4.527 0.000 0.000 0.299 250 F C 2.270 178.138 175.800 0.114 0.000 1.090 250 F CA 1.073 59.128 58.000 0.092 0.000 1.307 250 F CB -1.301 37.749 39.000 0.083 0.000 1.019 250 F HN -0.148 nan 8.300 nan 0.000 0.489 251 F N 0.913 120.985 119.950 0.204 0.000 2.102 251 F HA -0.179 4.348 4.527 0.000 0.000 0.298 251 F C 2.185 178.030 175.800 0.076 0.000 1.105 251 F CA 1.557 59.629 58.000 0.120 0.000 1.239 251 F CB -0.493 38.566 39.000 0.099 0.000 0.991 251 F HN -0.138 nan 8.300 nan 0.000 0.474 252 I N -0.151 120.545 120.570 0.211 0.000 2.226 252 I HA -0.352 3.817 4.170 -0.000 0.000 0.245 252 I C 2.411 178.512 176.117 -0.026 0.000 1.100 252 I CA 1.530 62.880 61.300 0.084 0.000 1.374 252 I CB -0.530 37.546 38.000 0.127 0.000 1.057 252 I HN 0.229 nan 8.210 nan 0.000 0.413 253 M N -0.064 119.529 119.600 -0.012 0.000 2.086 253 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 253 M C 2.338 178.612 176.300 -0.045 0.000 1.067 253 M CA 1.807 57.091 55.300 -0.027 0.000 1.116 253 M CB -0.442 32.142 32.600 -0.027 0.000 1.348 253 M HN 0.201 nan 8.290 nan 0.000 0.407 254 E N 0.233 120.395 120.200 -0.062 0.000 2.107 254 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 254 E C 1.765 178.269 176.600 -0.160 0.000 0.982 254 E CA 0.833 57.181 56.400 -0.087 0.000 0.809 254 E CB 0.250 29.912 29.700 -0.064 0.000 0.756 254 E HN 0.266 nan 8.360 nan 0.000 0.459 255 K N 0.409 120.636 120.400 -0.289 0.000 2.365 255 K HA -0.055 4.265 4.320 -0.000 0.000 0.199 255 K C 1.308 177.821 176.600 -0.144 0.000 1.045 255 K CA 0.743 56.856 56.287 -0.290 0.000 0.962 255 K CB 0.185 32.392 32.500 -0.490 0.000 0.759 255 K HN 0.246 nan 8.250 nan 0.000 0.469 256 E N -0.693 119.447 120.200 -0.100 0.000 2.539 256 E HA 0.094 4.444 4.350 -0.000 0.000 0.215 256 E C -0.062 176.518 176.600 -0.033 0.000 0.965 256 E CA 0.034 56.404 56.400 -0.049 0.000 1.019 256 E CB 0.832 30.516 29.700 -0.027 0.000 1.059 256 E HN 0.284 nan 8.360 nan 0.000 0.496 257 G N 2.601 111.379 108.800 -0.036 0.000 2.385 257 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.294 257 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.294 257 G C -0.219 174.673 174.900 -0.013 0.000 1.070 257 G CA 0.132 45.219 45.100 -0.021 0.000 1.172 257 G HN 0.183 nan 8.290 nan 0.000 0.516 258 I N 1.100 121.662 120.570 -0.013 0.000 2.499 258 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 258 I C 0.921 177.033 176.117 -0.008 0.000 1.048 258 I CA -0.708 60.587 61.300 -0.008 0.000 1.062 258 I CB 2.026 40.021 38.000 -0.008 0.000 1.238 258 I HN 0.477 nan 8.210 nan 0.000 0.426 259 S N 5.611 121.309 115.700 -0.003 0.000 2.589 259 S HA 0.268 4.738 4.470 -0.000 0.000 0.265 259 S C -1.951 172.644 174.600 -0.008 0.000 1.342 259 S CA -0.821 57.377 58.200 -0.004 0.000 1.005 259 S CB 0.746 63.945 63.200 -0.001 0.000 0.909 259 S HN 0.406 nan 8.310 nan 0.000 0.555 260 P HA -0.123 nan 4.420 nan 0.000 0.216 260 P C 1.685 178.994 177.300 0.014 0.000 1.150 260 P CA 1.127 64.211 63.100 -0.027 0.000 0.837 260 P CB 0.010 31.683 31.700 -0.044 0.000 0.786 261 Q N 0.749 120.557 119.800 0.013 0.000 2.030 261 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 261 Q C 2.052 178.099 176.000 0.079 0.000 0.986 261 Q CA 1.925 57.755 55.803 0.046 0.000 0.843 261 Q CB -0.910 27.838 28.738 0.017 0.000 0.904 261 Q HN 0.288 nan 8.270 nan 0.000 0.420 262 E N -0.632 119.592 120.200 0.039 0.000 2.130 262 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 262 E C 1.860 178.477 176.600 0.029 0.000 0.998 262 E CA 1.439 57.857 56.400 0.030 0.000 0.806 262 E CB -0.238 29.470 29.700 0.014 0.000 0.738 262 E HN 0.370 nan 8.360 nan 0.000 0.459 263 M N 0.077 119.694 119.600 0.027 0.000 2.123 263 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 263 M C 2.063 178.380 176.300 0.028 0.000 1.069 263 M CA 1.423 56.730 55.300 0.011 0.000 1.133 263 M CB -0.507 32.078 32.600 -0.026 0.000 1.356 263 M HN 0.121 nan 8.290 nan 0.000 0.415 264 Y N 0.991 121.260 120.300 -0.053 0.000 2.128 264 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 264 Y C 1.726 177.612 175.900 -0.023 0.000 1.154 264 Y CA 2.415 60.490 58.100 -0.041 0.000 1.149 264 Y CB -0.632 37.805 38.460 -0.039 0.000 0.976 264 Y HN 0.329 nan 8.280 nan 0.000 0.505 265 D N 0.395 120.807 120.400 0.021 0.000 2.106 265 D HA -0.237 4.403 4.640 -0.000 0.000 0.191 265 D C 2.311 178.546 176.300 -0.108 0.000 0.997 265 D CA 2.143 56.110 54.000 -0.054 0.000 0.834 265 D CB -0.508 40.306 40.800 0.024 0.000 0.956 265 D HN 0.481 nan 8.370 nan 0.000 0.448 266 I N 0.443 120.977 120.570 -0.060 0.000 2.208 266 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 266 I C 2.327 178.405 176.117 -0.065 0.000 1.097 266 I CA 0.744 62.019 61.300 -0.042 0.000 1.363 266 I CB -0.152 37.846 38.000 -0.004 0.000 1.051 266 I HN 0.015 nan 8.210 nan 0.000 0.413 267 L N 0.011 121.168 121.223 -0.111 0.000 2.275 267 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 267 L C 2.129 178.898 176.870 -0.168 0.000 1.119 267 L CA 1.240 56.008 54.840 -0.120 0.000 0.790 267 L CB -0.522 41.451 42.059 -0.144 0.000 0.919 267 L HN 0.429 nan 8.230 nan 0.000 0.443 268 N N -0.661 117.886 118.700 -0.256 0.000 2.463 268 N HA -0.016 4.724 4.740 -0.000 0.000 0.183 268 N C 1.481 176.898 175.510 -0.155 0.000 1.064 268 N CA 0.218 53.106 53.050 -0.270 0.000 0.879 268 N CB 0.585 38.764 38.487 -0.514 0.000 1.148 268 N HN 0.262 nan 8.380 nan 0.000 0.451 269 K N 0.038 120.352 120.400 -0.143 0.000 2.350 269 K HA 0.183 4.503 4.320 -0.000 0.000 0.196 269 K C 1.013 177.496 176.600 -0.196 0.000 1.084 269 K CA 0.315 56.516 56.287 -0.144 0.000 0.967 269 K CB 0.648 33.069 32.500 -0.132 0.000 0.950 269 K HN -0.112 nan 8.250 nan 0.000 0.512 270 K N 0.508 120.832 120.400 -0.126 0.000 2.374 270 K HA 0.234 4.554 4.320 -0.000 0.000 0.202 270 K C 0.213 176.902 176.600 0.148 0.000 1.040 270 K CA -0.094 56.149 56.287 -0.074 0.000 1.085 270 K CB 1.092 33.597 32.500 0.009 0.000 0.873 270 K HN -0.054 nan 8.250 nan 0.000 0.539 271 S N -0.736 115.018 115.700 0.090 0.000 2.496 271 S HA 0.556 5.026 4.470 -0.000 0.000 0.260 271 S C 0.825 175.523 174.600 0.163 0.000 1.122 271 S CA -0.216 58.061 58.200 0.129 0.000 1.019 271 S CB 0.421 63.660 63.200 0.064 0.000 1.226 271 S HN 0.441 nan 8.310 nan 0.000 0.502 272 G N 0.538 109.420 108.800 0.136 0.000 2.614 272 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.303 272 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.303 272 G C 0.927 175.941 174.900 0.190 0.000 1.270 272 G CA 0.357 45.552 45.100 0.157 0.000 0.988 272 G HN 0.709 nan 8.290 nan 0.000 0.551 273 V N 0.100 120.138 119.914 0.206 0.000 2.287 273 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 273 V C 2.259 178.467 176.094 0.190 0.000 1.053 273 V CA 3.083 65.490 62.300 0.179 0.000 1.027 273 V CB -1.017 30.886 31.823 0.133 0.000 0.646 273 V HN 0.595 nan 8.190 nan 0.000 0.447 274 Y N 1.491 121.847 120.300 0.094 0.000 2.128 274 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 274 Y C 2.343 178.312 175.900 0.115 0.000 1.154 274 Y CA 2.075 60.231 58.100 0.094 0.000 1.149 274 Y CB -0.815 37.681 38.460 0.060 0.000 0.976 274 Y HN 0.216 nan 8.280 nan 0.000 0.505 275 G N 0.282 109.275 108.800 0.321 0.000 2.446 275 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 275 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 275 G C 1.661 176.659 174.900 0.163 0.000 1.168 275 G CA 1.299 46.538 45.100 0.231 0.000 0.771 275 G HN 0.457 nan 8.290 nan 0.000 0.551 276 L N 1.415 122.742 121.223 0.173 0.000 2.079 276 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 276 L C 2.683 179.738 176.870 0.307 0.000 1.081 276 L CA 1.497 56.458 54.840 0.202 0.000 0.752 276 L CB -0.288 41.847 42.059 0.127 0.000 0.896 276 L HN 0.402 nan 8.230 nan 0.000 0.433 277 S N -1.193 114.635 115.700 0.213 0.000 2.685 277 S HA 0.106 4.576 4.470 -0.000 0.000 0.240 277 S C 0.667 175.340 174.600 0.121 0.000 0.967 277 S CA -0.457 57.904 58.200 0.268 0.000 1.009 277 S CB -0.255 63.087 63.200 0.236 0.000 0.776 277 S HN 0.357 nan 8.310 nan 0.000 0.467 278 K N 0.241 120.672 120.400 0.052 0.000 3.048 278 K HA -0.201 4.119 4.320 -0.000 0.000 0.274 278 K C 0.819 177.320 176.600 -0.165 0.000 1.098 278 K CA 0.503 56.762 56.287 -0.047 0.000 0.807 278 K CB -2.226 30.229 32.500 -0.075 0.000 1.217 278 K HN 1.102 nan 8.250 nan 0.000 0.477 279 G N -0.538 107.989 108.800 -0.456 0.000 2.131 279 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.201 279 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.201 279 G C 0.316 174.968 174.900 -0.414 0.000 1.000 279 G CA 0.155 44.728 45.100 -0.878 0.000 0.680 279 G HN 0.264 nan 8.290 nan 0.000 0.514 280 F N 1.276 121.019 119.950 -0.345 0.000 2.053 280 F HA 0.541 5.068 4.527 0.000 0.000 0.292 280 F C 1.278 177.025 175.800 -0.087 0.000 1.125 280 F CA 1.931 59.846 58.000 -0.141 0.000 1.193 280 F CB 0.213 39.180 39.000 -0.055 0.000 0.996 280 F HN 0.520 nan 8.300 nan 0.000 0.470 281 S N -1.969 113.654 115.700 -0.128 0.000 2.587 281 S HA 0.403 4.873 4.470 -0.000 0.000 0.269 281 S C 0.077 174.735 174.600 0.098 0.000 1.154 281 S CA -0.110 58.031 58.200 -0.099 0.000 0.824 281 S CB 0.932 63.973 63.200 -0.265 0.000 1.118 281 S HN 0.320 nan 8.310 nan 0.000 0.462 282 S N 0.665 116.454 115.700 0.148 0.000 2.540 282 S HA 0.263 4.733 4.470 -0.000 0.000 0.222 282 S C -0.075 174.566 174.600 0.070 0.000 1.008 282 S CA -0.033 58.264 58.200 0.163 0.000 0.939 282 S CB -0.043 63.267 63.200 0.184 0.000 0.865 282 S HN 0.630 nan 8.310 nan 0.000 0.499 283 D N 2.021 122.436 120.400 0.024 0.000 2.336 283 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 283 D C 1.119 177.396 176.300 -0.038 0.000 1.213 283 D CA -0.253 53.742 54.000 -0.010 0.000 0.870 283 D CB 0.712 41.496 40.800 -0.026 0.000 1.076 283 D HN -0.036 nan 8.370 nan 0.000 0.483 284 M N 3.875 123.424 119.600 -0.085 0.000 2.195 284 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 284 M C 1.818 178.043 176.300 -0.125 0.000 1.066 284 M CA 1.389 56.576 55.300 -0.187 0.000 1.089 284 M CB -0.461 31.919 32.600 -0.367 0.000 1.377 284 M HN 0.561 nan 8.290 nan 0.000 0.411 285 R N -1.379 119.076 120.500 -0.076 0.000 2.193 285 R HA -0.065 4.275 4.340 -0.000 0.000 0.213 285 R C 1.165 177.457 176.300 -0.013 0.000 1.055 285 R CA 1.058 57.130 56.100 -0.046 0.000 0.995 285 R CB -0.678 29.600 30.300 -0.038 0.000 0.893 285 R HN 0.203 nan 8.270 nan 0.000 0.459 286 D N 1.470 121.865 120.400 -0.007 0.000 2.178 286 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 286 D C 1.890 178.280 176.300 0.151 0.000 0.980 286 D CA 0.989 55.006 54.000 0.029 0.000 0.842 286 D CB -0.002 40.760 40.800 -0.064 0.000 0.948 286 D HN 0.275 nan 8.370 nan 0.000 0.472 287 I N 0.377 121.013 120.570 0.111 0.000 2.333 287 I HA -0.150 4.020 4.170 -0.000 0.000 0.246 287 I C 2.357 178.494 176.117 0.032 0.000 1.106 287 I CA 0.616 61.983 61.300 0.111 0.000 1.411 287 I CB -0.023 38.001 38.000 0.040 0.000 1.082 287 I HN -0.063 nan 8.210 nan 0.000 0.420 288 E N 1.226 121.419 120.200 -0.012 0.000 2.070 288 E HA -0.348 4.002 4.350 -0.000 0.000 0.197 288 E C 2.066 178.667 176.600 0.002 0.000 1.004 288 E CA 2.023 58.410 56.400 -0.022 0.000 0.805 288 E CB -0.070 29.606 29.700 -0.040 0.000 0.744 288 E HN 0.469 nan 8.360 nan 0.000 0.451 289 E N -0.212 120.001 120.200 0.022 0.000 2.058 289 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 289 E C 1.907 178.532 176.600 0.043 0.000 0.997 289 E CA 1.359 57.779 56.400 0.032 0.000 0.801 289 E CB -0.255 29.471 29.700 0.044 0.000 0.746 289 E HN 0.345 nan 8.360 nan 0.000 0.450 290 A N 0.881 123.744 122.820 0.073 0.000 1.969 290 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 290 A C 2.371 179.952 177.584 -0.005 0.000 1.169 290 A CA 1.519 53.581 52.037 0.043 0.000 0.635 290 A CB -0.654 18.370 19.000 0.041 0.000 0.810 290 A HN 0.436 nan 8.150 nan 0.000 0.445 291 A N -0.234 122.581 122.820 -0.008 0.000 1.898 291 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 291 A C 2.072 179.647 177.584 -0.015 0.000 1.181 291 A CA 1.363 53.386 52.037 -0.022 0.000 0.620 291 A CB -0.543 18.439 19.000 -0.031 0.000 0.819 291 A HN 0.449 nan 8.150 nan 0.000 0.442 292 L N -0.901 120.318 121.223 -0.008 0.000 2.275 292 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 292 L C 1.978 178.846 176.870 -0.004 0.000 1.119 292 L CA 1.084 55.920 54.840 -0.006 0.000 0.790 292 L CB -0.184 41.872 42.059 -0.005 0.000 0.919 292 L HN 0.297 nan 8.230 nan 0.000 0.443 293 K N -0.258 120.142 120.400 -0.001 0.000 2.487 293 K HA 0.131 4.451 4.320 -0.000 0.000 0.192 293 K C 1.193 177.789 176.600 -0.006 0.000 1.027 293 K CA 0.564 56.851 56.287 0.000 0.000 1.054 293 K CB 0.313 32.817 32.500 0.008 0.000 0.824 293 K HN 0.371 nan 8.250 nan 0.000 0.510 294 G N 1.791 110.585 108.800 -0.009 0.000 2.176 294 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.232 294 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.232 294 G C -0.241 174.653 174.900 -0.011 0.000 0.986 294 G CA -0.059 45.035 45.100 -0.010 0.000 0.643 294 G HN 0.466 nan 8.290 nan 0.000 0.522 295 D N 0.916 121.304 120.400 -0.020 0.000 2.389 295 D HA 0.144 4.784 4.640 -0.000 0.000 0.263 295 D C 1.426 177.726 176.300 0.001 0.000 1.255 295 D CA -0.034 53.952 54.000 -0.024 0.000 0.914 295 D CB 0.536 41.294 40.800 -0.070 0.000 1.116 295 D HN 0.259 nan 8.370 nan 0.000 0.502 296 E N 3.766 123.986 120.200 0.033 0.000 2.110 296 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 296 E C 1.586 178.237 176.600 0.085 0.000 0.988 296 E CA 0.682 57.115 56.400 0.054 0.000 0.804 296 E CB -0.171 29.575 29.700 0.077 0.000 0.745 296 E HN 0.746 nan 8.360 nan 0.000 0.458 297 W N 0.482 121.733 121.300 -0.082 0.000 2.381 297 W HA -0.199 4.461 4.660 -0.000 0.000 0.301 297 W C 2.018 178.493 176.519 -0.073 0.000 1.205 297 W CA 0.944 58.241 57.345 -0.080 0.000 1.285 297 W CB -0.169 29.226 29.460 -0.107 0.000 1.133 297 W HN 0.087 nan 8.180 nan 0.000 0.521 298 C N 0.635 119.891 119.300 -0.074 0.000 2.446 298 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 298 C C 2.585 177.483 174.990 -0.154 0.000 1.275 298 C CA 1.116 60.053 59.018 -0.134 0.000 1.727 298 C CB -1.111 26.585 27.740 -0.072 0.000 2.010 298 C HN 0.283 nan 8.230 nan 0.000 0.486 299 K N 0.236 120.566 120.400 -0.116 0.000 2.127 299 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 299 K C 1.803 178.316 176.600 -0.145 0.000 1.047 299 K CA 1.326 57.555 56.287 -0.098 0.000 0.927 299 K CB -0.341 32.119 32.500 -0.065 0.000 0.716 299 K HN 0.365 nan 8.250 nan 0.000 0.450 300 L N 0.445 121.510 121.223 -0.263 0.000 2.044 300 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 300 L C 1.983 178.663 176.870 -0.316 0.000 1.075 300 L CA 1.332 55.964 54.840 -0.348 0.000 0.747 300 L CB -0.272 41.419 42.059 -0.612 0.000 0.903 300 L HN -0.102 nan 8.230 nan 0.000 0.435 301 V N -0.351 119.332 119.914 -0.385 0.000 2.282 301 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 301 V C 2.501 178.560 176.094 -0.059 0.000 1.057 301 V CA 1.813 63.985 62.300 -0.214 0.000 1.032 301 V CB -0.954 30.764 31.823 -0.174 0.000 0.645 301 V HN 0.479 nan 8.190 nan 0.000 0.447 302 L N 0.406 121.586 121.223 -0.072 0.000 1.990 302 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 302 L C 2.459 179.382 176.870 0.087 0.000 1.072 302 L CA 2.063 56.901 54.840 -0.004 0.000 0.755 302 L CB -1.032 41.007 42.059 -0.033 0.000 0.889 302 L HN 0.396 nan 8.230 nan 0.000 0.432 303 E N -0.665 119.556 120.200 0.035 0.000 2.085 303 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 303 E C 2.282 178.960 176.600 0.130 0.000 0.994 303 E CA 1.690 58.140 56.400 0.082 0.000 0.801 303 E CB -0.216 29.489 29.700 0.008 0.000 0.743 303 E HN 0.569 nan 8.360 nan 0.000 0.453 304 I N 0.129 120.746 120.570 0.078 0.000 2.179 304 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 304 I C 2.324 178.559 176.117 0.197 0.000 1.088 304 I CA 1.151 62.522 61.300 0.118 0.000 1.357 304 I CB -0.302 37.728 38.000 0.050 0.000 1.051 304 I HN 0.134 nan 8.210 nan 0.000 0.409 305 Y N 2.046 122.382 120.300 0.061 0.000 2.030 305 Y HA -0.386 4.164 4.550 -0.000 0.000 0.274 305 Y C 2.370 178.322 175.900 0.086 0.000 1.153 305 Y CA 2.200 60.341 58.100 0.068 0.000 1.115 305 Y CB -0.374 38.115 38.460 0.048 0.000 0.969 305 Y HN 0.227 nan 8.280 nan 0.000 0.488 306 D N -0.998 119.577 120.400 0.292 0.000 2.104 306 D HA -0.260 4.380 4.640 -0.000 0.000 0.194 306 D C 1.991 178.351 176.300 0.100 0.000 0.994 306 D CA 1.794 55.920 54.000 0.210 0.000 0.830 306 D CB -1.111 39.849 40.800 0.265 0.000 0.959 306 D HN 0.467 nan 8.370 nan 0.000 0.452 307 Y N 1.832 122.108 120.300 -0.040 0.000 2.069 307 Y HA -0.270 4.280 4.550 -0.000 0.000 0.278 307 Y C 2.439 178.190 175.900 -0.248 0.000 1.175 307 Y CA 1.892 59.834 58.100 -0.262 0.000 1.134 307 Y CB -0.254 38.133 38.460 -0.121 0.000 0.965 307 Y HN -0.158 nan 8.280 nan 0.000 0.498 308 R N -0.080 120.317 120.500 -0.172 0.000 2.115 308 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 308 R C 2.306 178.542 176.300 -0.107 0.000 1.111 308 R CA 1.530 57.502 56.100 -0.213 0.000 0.976 308 R CB -0.383 29.892 30.300 -0.041 0.000 0.870 308 R HN 0.479 nan 8.270 nan 0.000 0.445 309 I N 0.477 120.990 120.570 -0.095 0.000 2.127 309 I HA -0.291 3.878 4.170 -0.000 0.000 0.241 309 I C 2.559 178.655 176.117 -0.035 0.000 1.075 309 I CA 1.478 62.763 61.300 -0.025 0.000 1.334 309 I CB -0.426 37.584 38.000 0.016 0.000 1.040 309 I HN 0.211 nan 8.210 nan 0.000 0.405 310 A N 0.630 123.374 122.820 -0.127 0.000 1.917 310 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 310 A C 2.306 179.757 177.584 -0.222 0.000 1.182 310 A CA 1.930 53.870 52.037 -0.161 0.000 0.633 310 A CB -0.533 18.234 19.000 -0.388 0.000 0.819 310 A HN 0.362 nan 8.150 nan 0.000 0.448 311 K N -1.977 118.186 120.400 -0.394 0.000 2.097 311 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 311 K C 1.832 178.202 176.600 -0.383 0.000 1.050 311 K CA 1.467 57.499 56.287 -0.425 0.000 0.938 311 K CB -0.297 31.838 32.500 -0.607 0.000 0.718 311 K HN 0.597 nan 8.250 nan 0.000 0.442 312 Y N 1.138 121.238 120.300 -0.333 0.000 2.163 312 Y HA -0.171 4.379 4.550 0.000 0.000 0.288 312 Y C 2.017 177.682 175.900 -0.391 0.000 1.136 312 Y CA 1.222 59.048 58.100 -0.457 0.000 1.147 312 Y CB -0.195 38.011 38.460 -0.423 0.000 0.987 312 Y HN -0.043 nan 8.280 nan 0.000 0.509 313 I N -0.709 119.837 120.570 -0.039 0.000 2.151 313 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 313 I C 2.676 178.799 176.117 0.010 0.000 1.080 313 I CA 1.676 62.983 61.300 0.011 0.000 1.339 313 I CB -1.047 36.969 38.000 0.027 0.000 1.039 313 I HN 0.282 nan 8.210 nan 0.000 0.409 314 G N 0.337 109.133 108.800 -0.007 0.000 2.440 314 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 314 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 314 G C 1.858 176.756 174.900 -0.004 0.000 1.154 314 G CA 0.907 46.038 45.100 0.050 0.000 0.767 314 G HN 0.517 nan 8.290 nan 0.000 0.552 315 A N -0.073 122.667 122.820 -0.134 0.000 1.902 315 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 315 A C 2.292 179.910 177.584 0.056 0.000 1.181 315 A CA 1.587 53.535 52.037 -0.147 0.000 0.623 315 A CB -0.555 18.201 19.000 -0.406 0.000 0.818 315 A HN 0.365 nan 8.150 nan 0.000 0.443 316 Y N -0.404 119.891 120.300 -0.008 0.000 2.337 316 Y HA 0.111 4.661 4.550 -0.000 0.000 0.293 316 Y C 2.931 178.814 175.900 -0.028 0.000 1.123 316 Y CA -0.099 57.996 58.100 -0.008 0.000 1.201 316 Y CB -1.223 37.247 38.460 0.017 0.000 1.011 316 Y HN 0.338 nan 8.280 nan 0.000 0.545 317 A N 0.448 123.350 122.820 0.138 0.000 1.892 317 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 317 A C 2.553 180.162 177.584 0.041 0.000 1.188 317 A CA 2.438 54.509 52.037 0.055 0.000 0.631 317 A CB -1.186 17.834 19.000 0.034 0.000 0.822 317 A HN 0.373 nan 8.150 nan 0.000 0.447 318 A N -0.432 122.422 122.820 0.057 0.000 1.933 318 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 318 A C 2.509 180.109 177.584 0.027 0.000 1.175 318 A CA 2.086 54.147 52.037 0.039 0.000 0.628 318 A CB -1.009 18.012 19.000 0.035 0.000 0.814 318 A HN 1.149 nan 8.150 nan 0.000 0.444 319 A N -0.704 122.147 122.820 0.051 0.000 1.933 319 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 319 A C 2.111 179.672 177.584 -0.038 0.000 1.175 319 A CA 1.891 53.938 52.037 0.017 0.000 0.628 319 A CB -0.446 18.582 19.000 0.046 0.000 0.814 319 A HN 0.519 nan 8.150 nan 0.000 0.444 320 M N -1.583 117.988 119.600 -0.048 0.000 2.495 320 M HA 0.124 4.604 4.480 -0.000 0.000 0.237 320 M C 0.662 176.913 176.300 -0.083 0.000 1.131 320 M CA 0.303 55.539 55.300 -0.105 0.000 1.032 320 M CB 0.174 32.686 32.600 -0.147 0.000 1.513 320 M HN 0.464 nan 8.290 nan 0.000 0.488 321 N N 1.549 120.226 118.700 -0.038 0.000 2.740 321 N HA -0.121 4.619 4.740 -0.000 0.000 0.248 321 N C -0.556 174.940 175.510 -0.024 0.000 1.062 321 N CA 1.139 54.177 53.050 -0.020 0.000 0.704 321 N CB -0.927 37.552 38.487 -0.012 0.000 0.968 321 N HN 0.666 nan 8.380 nan 0.000 0.547 322 G N -2.483 106.297 108.800 -0.033 0.000 2.352 322 G HA2 0.429 4.389 3.960 -0.000 0.000 0.305 322 G HA3 0.429 4.389 3.960 -0.000 0.000 0.305 322 G C -1.575 173.297 174.900 -0.046 0.000 1.537 322 G CA -0.290 44.789 45.100 -0.035 0.000 0.959 322 G HN 0.767 nan 8.290 nan 0.000 0.668 323 V N 0.639 120.527 119.914 -0.044 0.000 2.588 323 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 323 V C -0.253 175.820 176.094 -0.035 0.000 1.042 323 V CA -0.703 61.572 62.300 -0.042 0.000 0.877 323 V CB 1.980 33.776 31.823 -0.045 0.000 0.996 323 V HN 0.771 nan 8.190 nan 0.000 0.425 324 D N 2.092 122.477 120.400 -0.025 0.000 2.379 324 D HA 0.431 5.071 4.640 -0.000 0.000 0.218 324 D C 0.550 176.844 176.300 -0.012 0.000 1.006 324 D CA 1.127 55.121 54.000 -0.010 0.000 0.893 324 D CB 1.524 42.330 40.800 0.010 0.000 1.019 324 D HN 0.729 nan 8.370 nan 0.000 0.503 325 A N 0.256 123.065 122.820 -0.018 0.000 2.604 325 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 325 A C -1.535 176.025 177.584 -0.040 0.000 1.067 325 A CA -0.559 51.466 52.037 -0.021 0.000 0.683 325 A CB 1.288 20.281 19.000 -0.011 0.000 1.281 325 A HN 0.002 nan 8.150 nan 0.000 0.407 326 I N 1.177 121.709 120.570 -0.063 0.000 2.465 326 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 326 I C -0.888 175.115 176.117 -0.188 0.000 1.014 326 I CA -1.006 60.208 61.300 -0.144 0.000 1.093 326 I CB 2.169 40.052 38.000 -0.194 0.000 1.267 326 I HN 0.335 nan 8.210 nan 0.000 0.431 327 V N 6.007 125.789 119.914 -0.221 0.000 2.448 327 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 327 V C -0.596 175.343 176.094 -0.259 0.000 1.025 327 V CA -0.605 61.602 62.300 -0.154 0.000 0.859 327 V CB 1.395 33.193 31.823 -0.043 0.000 0.988 327 V HN 0.352 nan 8.190 nan 0.000 0.431 328 F N 2.627 122.603 119.950 0.044 0.000 2.408 328 F HA 0.743 5.270 4.527 -0.000 0.000 0.344 328 F C 0.631 176.438 175.800 0.011 0.000 1.112 328 F CA 0.023 58.044 58.000 0.035 0.000 1.096 328 F CB 1.999 41.019 39.000 0.033 0.000 1.129 328 F HN 0.538 nan 8.300 nan 0.000 0.486 329 T N 1.434 116.084 114.554 0.159 0.000 2.731 329 T HA 0.744 5.094 4.350 -0.000 0.000 0.300 329 T C -0.981 173.650 174.700 -0.115 0.000 1.283 329 T CA 0.204 62.329 62.100 0.042 0.000 1.005 329 T CB 1.095 69.992 68.868 0.048 0.000 1.420 329 T HN 1.519 nan 8.240 nan 0.000 0.503 330 A N -0.537 122.173 122.820 -0.183 0.000 3.682 330 A HA 0.209 4.529 4.320 -0.000 0.000 0.628 330 A C 1.402 178.885 177.584 -0.169 0.000 0.718 330 A CA 0.786 52.618 52.037 -0.341 0.000 0.282 330 A CB -1.931 16.467 19.000 -1.002 0.000 3.621 330 A HN 2.221 nan 8.150 nan 0.000 0.523 331 G N -1.182 107.533 108.800 -0.141 0.000 2.759 331 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.224 331 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.224 331 G C 1.520 176.394 174.900 -0.042 0.000 1.173 331 G CA 2.911 47.971 45.100 -0.066 0.000 0.770 331 G HN 1.828 nan 8.290 nan 0.000 0.626 332 V N 0.889 120.786 119.914 -0.028 0.000 2.426 332 V HA 0.134 4.253 4.120 -0.000 0.000 0.242 332 V C 3.118 179.214 176.094 0.002 0.000 1.036 332 V CA 1.565 63.867 62.300 0.003 0.000 1.044 332 V CB -0.839 31.028 31.823 0.073 0.000 0.688 332 V HN 0.489 nan 8.190 nan 0.000 0.462 333 G N -0.016 108.801 108.800 0.027 0.000 2.462 333 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 333 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 333 G C 1.381 176.302 174.900 0.036 0.000 1.121 333 G CA 1.008 46.152 45.100 0.074 0.000 0.758 333 G HN 0.609 nan 8.290 nan 0.000 0.559 334 E N -0.181 120.024 120.200 0.009 0.000 2.385 334 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 334 E C 1.224 177.817 176.600 -0.012 0.000 1.013 334 E CA 0.217 56.623 56.400 0.009 0.000 0.866 334 E CB 0.233 29.935 29.700 0.003 0.000 0.832 334 E HN 0.323 nan 8.360 nan 0.000 0.500 335 N N -0.233 118.450 118.700 -0.027 0.000 2.143 335 N HA 0.016 4.756 4.740 -0.000 0.000 0.222 335 N C -0.394 175.091 175.510 -0.042 0.000 1.264 335 N CA 0.157 53.189 53.050 -0.031 0.000 0.897 335 N CB 1.585 40.057 38.487 -0.026 0.000 1.092 335 N HN -0.151 nan 8.380 nan 0.000 0.516 336 S N 1.998 117.662 115.700 -0.060 0.000 2.516 336 S HA 0.395 4.865 4.470 -0.000 0.000 0.268 336 S C -2.015 172.524 174.600 -0.102 0.000 1.251 336 S CA -1.552 56.606 58.200 -0.069 0.000 1.153 336 S CB 1.160 64.324 63.200 -0.061 0.000 1.009 336 S HN -0.129 nan 8.310 nan 0.000 0.479 337 P HA 0.021 nan 4.420 nan 0.000 0.221 337 P C 1.202 178.452 177.300 -0.083 0.000 1.150 337 P CA 0.694 63.743 63.100 -0.086 0.000 0.800 337 P CB 0.117 31.787 31.700 -0.050 0.000 0.787 338 I N -1.210 119.324 120.570 -0.060 0.000 2.202 338 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 338 I C 2.097 178.192 176.117 -0.037 0.000 1.091 338 I CA 1.599 62.876 61.300 -0.039 0.000 1.368 338 I CB -1.108 36.876 38.000 -0.027 0.000 1.058 338 I HN -0.028 nan 8.210 nan 0.000 0.410 339 T N 0.447 114.971 114.554 -0.051 0.000 2.746 339 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 339 T C 2.034 176.667 174.700 -0.111 0.000 1.039 339 T CA 1.218 63.305 62.100 -0.021 0.000 1.142 339 T CB -0.189 68.688 68.868 0.014 0.000 0.866 339 T HN 0.272 nan 8.240 nan 0.000 0.444 340 R N 0.748 121.071 120.500 -0.295 0.000 2.096 340 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 340 R C 2.568 178.758 176.300 -0.183 0.000 1.127 340 R CA 1.051 56.820 56.100 -0.553 0.000 0.968 340 R CB -0.175 29.730 30.300 -0.658 0.000 0.861 340 R HN 0.374 nan 8.270 nan 0.000 0.440 341 E N 1.131 121.280 120.200 -0.084 0.000 2.046 341 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 341 E C 1.369 177.998 176.600 0.049 0.000 0.982 341 E CA 1.390 57.787 56.400 -0.004 0.000 0.800 341 E CB -0.031 29.662 29.700 -0.012 0.000 0.756 341 E HN 0.148 nan 8.360 nan 0.000 0.449 342 D N -0.244 120.193 120.400 0.062 0.000 2.097 342 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 342 D C 2.060 178.521 176.300 0.269 0.000 0.989 342 D CA 1.275 55.351 54.000 0.128 0.000 0.827 342 D CB 0.059 40.946 40.800 0.144 0.000 0.966 342 D HN 0.020 nan 8.370 nan 0.000 0.456 343 V N -0.259 119.812 119.914 0.262 0.000 2.343 343 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 343 V C 2.584 178.914 176.094 0.393 0.000 1.051 343 V CA 1.518 64.031 62.300 0.356 0.000 1.036 343 V CB -0.371 31.641 31.823 0.315 0.000 0.654 343 V HN 0.447 nan 8.190 nan 0.000 0.451 344 C N 0.524 119.993 119.300 0.282 0.000 2.456 344 C HA -0.049 4.411 4.460 -0.000 0.000 0.279 344 C C 3.127 178.237 174.990 0.199 0.000 1.427 344 C CA 0.854 60.018 59.018 0.243 0.000 1.778 344 C CB -1.160 26.695 27.740 0.191 0.000 1.842 344 C HN 0.779 nan 8.230 nan 0.000 0.531 345 S N -0.027 115.762 115.700 0.149 0.000 2.419 345 S HA -0.181 4.289 4.470 -0.000 0.000 0.233 345 S C 1.342 175.957 174.600 0.025 0.000 1.016 345 S CA 1.255 59.470 58.200 0.026 0.000 0.974 345 S CB -0.834 62.306 63.200 -0.100 0.000 0.786 345 S HN 0.695 nan 8.310 nan 0.000 0.492 346 Y N 1.193 121.585 120.300 0.153 0.000 2.583 346 Y HA 0.362 4.912 4.550 -0.000 0.000 0.293 346 Y C 1.584 177.671 175.900 0.312 0.000 1.157 346 Y CA 0.302 58.514 58.100 0.187 0.000 1.315 346 Y CB -0.143 38.421 38.460 0.174 0.000 1.021 346 Y HN 0.265 nan 8.280 nan 0.000 0.536 347 L N -0.093 121.362 121.223 0.387 0.000 2.906 347 L HA 0.105 4.445 4.340 -0.000 0.000 0.255 347 L C 1.769 178.708 176.870 0.115 0.000 1.166 347 L CA 0.089 55.103 54.840 0.290 0.000 0.977 347 L CB 0.042 42.200 42.059 0.166 0.000 1.313 347 L HN 0.280 nan 8.230 nan 0.000 0.549 348 E N 1.109 121.423 120.200 0.190 0.000 2.274 348 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 348 E C 1.961 178.616 176.600 0.093 0.000 0.996 348 E CA 1.008 57.468 56.400 0.100 0.000 0.840 348 E CB -0.403 29.354 29.700 0.095 0.000 0.772 348 E HN 0.607 nan 8.360 nan 0.000 0.491 349 F N 0.869 120.844 119.950 0.042 0.000 2.307 349 F HA 0.011 4.538 4.527 0.000 0.000 0.301 349 F C 1.711 177.530 175.800 0.032 0.000 1.076 349 F CA 0.663 58.684 58.000 0.035 0.000 1.383 349 F CB -0.164 38.859 39.000 0.038 0.000 1.055 349 F HN -0.098 nan 8.300 nan 0.000 0.526 350 L N 0.590 121.341 121.223 -0.786 0.000 2.567 350 L HA 0.346 4.686 4.340 -0.000 0.000 0.225 350 L C 1.628 178.346 176.870 -0.253 0.000 1.119 350 L CA 0.620 55.087 54.840 -0.623 0.000 0.871 350 L CB -0.352 41.286 42.059 -0.700 0.000 1.036 350 L HN 0.544 nan 8.230 nan 0.000 0.459 351 G N 0.413 109.122 108.800 -0.151 0.000 2.131 351 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.201 351 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.201 351 G C -0.022 174.852 174.900 -0.042 0.000 1.000 351 G CA -0.217 44.843 45.100 -0.066 0.000 0.680 351 G HN 0.052 nan 8.290 nan 0.000 0.514 352 V N 0.899 120.788 119.914 -0.041 0.000 2.385 352 V HA 0.541 4.661 4.120 -0.000 0.000 0.269 352 V C 0.469 176.580 176.094 0.027 0.000 1.043 352 V CA 0.035 62.334 62.300 -0.000 0.000 0.906 352 V CB 1.332 33.163 31.823 0.014 0.000 0.995 352 V HN 0.319 nan 8.190 nan 0.000 0.467 353 K N 4.672 125.090 120.400 0.030 0.000 2.397 353 K HA 0.614 4.934 4.320 -0.000 0.000 0.253 353 K C -1.414 175.210 176.600 0.041 0.000 0.932 353 K CA -0.888 55.420 56.287 0.035 0.000 0.795 353 K CB 2.349 34.864 32.500 0.025 0.000 1.159 353 K HN 0.313 nan 8.250 nan 0.000 0.424 354 L N 1.627 122.876 121.223 0.044 0.000 2.360 354 L HA 0.249 4.589 4.340 -0.000 0.000 0.271 354 L C -0.194 176.694 176.870 0.030 0.000 1.057 354 L CA -0.110 54.757 54.840 0.044 0.000 0.803 354 L CB 1.022 43.109 42.059 0.047 0.000 1.207 354 L HN 0.533 nan 8.230 nan 0.000 0.445 355 D N 1.367 121.784 120.400 0.027 0.000 2.428 355 D HA 0.162 4.801 4.640 -0.000 0.000 0.221 355 D C 0.894 177.203 176.300 0.015 0.000 1.123 355 D CA -0.105 53.907 54.000 0.019 0.000 0.869 355 D CB 0.708 41.519 40.800 0.018 0.000 1.032 355 D HN 0.388 nan 8.370 nan 0.000 0.506 356 K N 1.965 122.372 120.400 0.011 0.000 2.077 356 K HA -0.282 4.038 4.320 -0.000 0.000 0.213 356 K C 1.776 178.378 176.600 0.003 0.000 1.051 356 K CA 1.757 58.047 56.287 0.005 0.000 0.929 356 K CB 0.154 32.656 32.500 0.003 0.000 0.715 356 K HN 0.569 nan 8.250 nan 0.000 0.451 357 Q N 0.563 120.366 119.800 0.005 0.000 2.030 357 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 357 Q C 2.063 178.066 176.000 0.005 0.000 0.986 357 Q CA 1.515 57.321 55.803 0.004 0.000 0.843 357 Q CB -0.175 28.566 28.738 0.005 0.000 0.904 357 Q HN 0.240 nan 8.270 nan 0.000 0.420 358 K N 0.629 121.034 120.400 0.009 0.000 2.147 358 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 358 K C 1.836 178.442 176.600 0.010 0.000 1.049 358 K CA 1.037 57.331 56.287 0.011 0.000 0.936 358 K CB -0.154 32.356 32.500 0.017 0.000 0.722 358 K HN 0.272 nan 8.250 nan 0.000 0.446 359 N N 0.906 119.610 118.700 0.007 0.000 2.142 359 N HA -0.164 4.575 4.740 -0.000 0.000 0.186 359 N C 1.344 176.847 175.510 -0.012 0.000 1.023 359 N CA 0.924 53.973 53.050 -0.002 0.000 0.852 359 N CB 0.215 38.698 38.487 -0.007 0.000 0.998 359 N HN 0.218 nan 8.380 nan 0.000 0.424 360 E N 0.272 120.466 120.200 -0.009 0.000 2.208 360 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 360 E C 1.575 178.170 176.600 -0.009 0.000 0.988 360 E CA 0.591 56.984 56.400 -0.012 0.000 0.828 360 E CB 0.109 29.803 29.700 -0.010 0.000 0.763 360 E HN 0.444 nan 8.360 nan 0.000 0.478 361 E N 0.439 120.637 120.200 -0.004 0.000 2.072 361 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 361 E C 0.553 177.153 176.600 -0.000 0.000 0.982 361 E CA 1.154 57.554 56.400 -0.001 0.000 0.803 361 E CB 0.152 29.854 29.700 0.003 0.000 0.755 361 E HN 0.159 nan 8.360 nan 0.000 0.453 362 T N 0.650 115.206 114.554 0.002 0.000 3.781 362 T HA 0.396 4.746 4.350 -0.000 0.000 0.286 362 T C -0.011 174.689 174.700 0.001 0.000 1.277 362 T CA -0.052 62.052 62.100 0.006 0.000 1.136 362 T CB -0.306 68.572 68.868 0.017 0.000 1.202 362 T HN 0.036 nan 8.240 nan 0.000 0.884 363 I N 0.772 121.341 120.570 -0.002 0.000 3.042 363 I HA 0.473 4.643 4.170 -0.000 0.000 0.310 363 I C -0.188 175.926 176.117 -0.005 0.000 1.117 363 I CA -1.463 59.832 61.300 -0.008 0.000 1.003 363 I CB 1.581 39.574 38.000 -0.012 0.000 1.228 363 I HN 0.364 nan 8.210 nan 0.000 0.443 364 R N 4.058 124.553 120.500 -0.008 0.000 3.502 364 R HA -0.218 4.122 4.340 -0.000 0.000 0.266 364 R C 0.634 176.932 176.300 -0.003 0.000 1.077 364 R CA 0.824 56.919 56.100 -0.008 0.000 0.718 364 R CB -2.464 27.830 30.300 -0.009 0.000 1.120 364 R HN 1.287 nan 8.270 nan 0.000 0.457 365 G N -0.888 107.913 108.800 0.002 0.000 2.231 365 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.206 365 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.206 365 G C 0.232 175.141 174.900 0.015 0.000 0.996 365 G CA 0.206 45.311 45.100 0.008 0.000 0.645 365 G HN 0.308 nan 8.290 nan 0.000 0.498 366 K N 1.097 121.504 120.400 0.012 0.000 2.230 366 K HA 0.475 4.795 4.320 -0.000 0.000 0.253 366 K C 0.405 177.018 176.600 0.023 0.000 1.008 366 K CA 0.569 56.866 56.287 0.016 0.000 0.910 366 K CB 0.511 33.018 32.500 0.011 0.000 0.994 366 K HN 0.610 nan 8.250 nan 0.000 0.495 367 E N -0.285 119.929 120.200 0.023 0.000 2.340 367 E HA 0.659 5.009 4.350 -0.000 0.000 0.273 367 E C -0.648 175.966 176.600 0.023 0.000 0.891 367 E CA -1.072 55.344 56.400 0.027 0.000 0.757 367 E CB 2.104 31.820 29.700 0.027 0.000 1.231 367 E HN 0.663 nan 8.360 nan 0.000 0.439 368 G N 1.547 110.362 108.800 0.026 0.000 2.320 368 G HA2 0.282 4.242 3.960 -0.000 0.000 0.296 368 G HA3 0.282 4.242 3.960 -0.000 0.000 0.296 368 G C -1.375 173.544 174.900 0.032 0.000 1.306 368 G CA -0.992 44.122 45.100 0.024 0.000 0.836 368 G HN 0.523 nan 8.290 nan 0.000 0.517 369 I N 0.707 121.294 120.570 0.029 0.000 2.472 369 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 369 I C 0.879 177.021 176.117 0.042 0.000 1.016 369 I CA -0.454 60.867 61.300 0.035 0.000 1.348 369 I CB 1.435 39.451 38.000 0.025 0.000 1.417 369 I HN 0.488 nan 8.210 nan 0.000 0.521 370 I N 1.556 122.161 120.570 0.058 0.000 4.288 370 I HA 0.096 4.266 4.170 -0.000 0.000 0.331 370 I C 0.835 176.984 176.117 0.053 0.000 1.322 370 I CA -0.115 61.218 61.300 0.056 0.000 1.149 370 I CB -0.093 37.950 38.000 0.072 0.000 1.112 370 I HN 0.512 nan 8.210 nan 0.000 0.403 371 S N 1.942 117.674 115.700 0.054 0.000 2.572 371 S HA 0.237 4.707 4.470 -0.000 0.000 0.279 371 S C 0.651 175.269 174.600 0.030 0.000 1.341 371 S CA -0.356 57.871 58.200 0.044 0.000 1.043 371 S CB 0.237 63.460 63.200 0.039 0.000 0.887 371 S HN 0.400 nan 8.310 nan 0.000 0.516 372 T N -0.370 114.199 114.554 0.026 0.000 2.926 372 T HA 0.261 4.611 4.350 -0.000 0.000 0.307 372 T C -1.655 173.054 174.700 0.016 0.000 1.059 372 T CA -1.380 60.731 62.100 0.019 0.000 1.122 372 T CB -0.032 68.846 68.868 0.017 0.000 0.972 372 T HN 0.390 nan 8.240 nan 0.000 0.545 373 P HA -0.253 nan 4.420 nan 0.000 0.222 373 P C 1.279 178.585 177.300 0.010 0.000 1.157 373 P CA 1.853 64.959 63.100 0.011 0.000 0.905 373 P CB -0.067 31.638 31.700 0.010 0.000 0.792 374 D N -1.706 118.700 120.400 0.009 0.000 2.347 374 D HA -0.034 4.606 4.640 -0.000 0.000 0.215 374 D C 0.600 176.904 176.300 0.007 0.000 0.976 374 D CA 0.193 54.197 54.000 0.008 0.000 0.884 374 D CB -0.383 40.422 40.800 0.008 0.000 0.915 374 D HN 0.088 nan 8.370 nan 0.000 0.526 375 S N 0.469 116.174 115.700 0.009 0.000 2.544 375 S HA 0.018 4.488 4.470 -0.000 0.000 0.290 375 S C 1.130 175.730 174.600 0.000 0.000 1.276 375 S CA -0.428 57.776 58.200 0.006 0.000 1.075 375 S CB 0.812 64.020 63.200 0.013 0.000 0.849 375 S HN 0.133 nan 8.310 nan 0.000 0.494 376 R N 2.823 123.318 120.500 -0.009 0.000 2.148 376 R HA 0.110 4.450 4.340 -0.000 0.000 0.223 376 R C -0.098 176.190 176.300 -0.020 0.000 1.088 376 R CA 0.616 56.707 56.100 -0.015 0.000 0.985 376 R CB 0.161 30.447 30.300 -0.024 0.000 0.880 376 R HN 0.457 nan 8.270 nan 0.000 0.451 377 V N 2.271 122.170 119.914 -0.024 0.000 2.448 377 V HA 0.190 4.310 4.120 -0.000 0.000 0.295 377 V C -0.344 175.747 176.094 -0.005 0.000 1.025 377 V CA -1.004 61.282 62.300 -0.023 0.000 0.859 377 V CB 1.824 33.620 31.823 -0.045 0.000 0.988 377 V HN 0.073 nan 8.190 nan 0.000 0.431 378 K N 3.602 124.002 120.400 -0.001 0.000 2.249 378 K HA 0.577 4.897 4.320 -0.000 0.000 0.280 378 K C -0.880 175.730 176.600 0.017 0.000 1.033 378 K CA -0.413 55.881 56.287 0.011 0.000 0.946 378 K CB 1.942 34.448 32.500 0.009 0.000 1.005 378 K HN 0.398 nan 8.250 nan 0.000 0.469 379 V N 4.710 124.650 119.914 0.043 0.000 2.448 379 V HA 0.371 4.491 4.120 -0.000 0.000 0.295 379 V C -0.548 175.600 176.094 0.090 0.000 1.025 379 V CA -0.954 61.390 62.300 0.074 0.000 0.859 379 V CB 1.200 33.110 31.823 0.146 0.000 0.988 379 V HN 0.538 nan 8.190 nan 0.000 0.431 380 L N 4.967 126.242 121.223 0.085 0.000 2.370 380 L HA 0.694 5.034 4.340 -0.000 0.000 0.266 380 L C -0.406 176.547 176.870 0.139 0.000 1.002 380 L CA -0.676 54.214 54.840 0.083 0.000 0.818 380 L CB 2.168 44.247 42.059 0.032 0.000 1.325 380 L HN 0.345 nan 8.230 nan 0.000 0.418 381 V N 2.780 122.766 119.914 0.120 0.000 2.328 381 V HA 0.448 4.568 4.120 -0.000 0.000 0.278 381 V C -0.400 175.736 176.094 0.070 0.000 1.021 381 V CA -0.553 61.823 62.300 0.126 0.000 0.838 381 V CB 1.562 33.444 31.823 0.097 0.000 0.999 381 V HN 0.461 nan 8.190 nan 0.000 0.447 382 V N 8.002 127.953 119.914 0.062 0.000 2.289 382 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 382 V C -2.246 173.883 176.094 0.059 0.000 1.026 382 V CA -1.842 60.474 62.300 0.027 0.000 0.807 382 V CB 1.705 33.506 31.823 -0.036 0.000 1.044 382 V HN 0.692 nan 8.190 nan 0.000 0.443 383 P HA 0.007 nan 4.420 nan 0.000 0.262 383 P C 0.246 177.645 177.300 0.165 0.000 1.182 383 P CA 0.616 63.768 63.100 0.086 0.000 0.761 383 P CB 0.549 32.289 31.700 0.066 0.000 0.795 384 T N 2.807 117.450 114.554 0.148 0.000 2.913 384 T HA 0.177 4.527 4.350 -0.000 0.000 0.297 384 T C 0.250 175.002 174.700 0.088 0.000 1.029 384 T CA -0.169 62.067 62.100 0.227 0.000 1.104 384 T CB -0.350 68.623 68.868 0.175 0.000 0.964 384 T HN 0.330 nan 8.240 nan 0.000 0.532 385 N N 2.751 121.378 118.700 -0.120 0.000 2.726 385 N HA 0.173 4.913 4.740 -0.000 0.000 0.253 385 N C 0.634 175.850 175.510 -0.490 0.000 1.530 385 N CA -0.321 52.528 53.050 -0.336 0.000 0.772 385 N CB 0.696 38.946 38.487 -0.395 0.000 1.220 385 N HN 0.723 nan 8.380 nan 0.000 0.508 386 E N 0.095 120.149 120.200 -0.244 0.000 2.153 386 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 386 E C 0.551 177.033 176.600 -0.197 0.000 0.988 386 E CA 1.294 57.575 56.400 -0.199 0.000 0.811 386 E CB 0.406 30.053 29.700 -0.089 0.000 0.746 386 E HN 0.492 nan 8.360 nan 0.000 0.466 387 E N 0.751 120.846 120.200 -0.174 0.000 2.047 387 E HA -0.170 4.179 4.350 -0.000 0.000 0.191 387 E C 1.915 178.418 176.600 -0.161 0.000 0.987 387 E CA 0.531 56.847 56.400 -0.139 0.000 0.799 387 E CB -0.201 29.434 29.700 -0.107 0.000 0.752 387 E HN 0.092 nan 8.360 nan 0.000 0.449 388 L N 0.202 121.295 121.223 -0.216 0.000 2.079 388 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 388 L C 2.167 178.915 176.870 -0.202 0.000 1.081 388 L CA 1.665 56.383 54.840 -0.204 0.000 0.752 388 L CB -0.419 41.494 42.059 -0.243 0.000 0.896 388 L HN 0.206 nan 8.230 nan 0.000 0.433 389 M N -0.461 118.962 119.600 -0.295 0.000 2.108 389 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 389 M C 2.084 178.320 176.300 -0.106 0.000 1.066 389 M CA 1.879 57.072 55.300 -0.178 0.000 1.107 389 M CB -0.591 31.896 32.600 -0.188 0.000 1.356 389 M HN 0.322 nan 8.290 nan 0.000 0.406 390 I N -0.278 120.222 120.570 -0.117 0.000 2.142 390 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 390 I C 2.389 178.458 176.117 -0.080 0.000 1.078 390 I CA 1.205 62.448 61.300 -0.095 0.000 1.343 390 I CB -0.816 37.121 38.000 -0.105 0.000 1.046 390 I HN 0.391 nan 8.210 nan 0.000 0.405 391 A N 0.771 123.541 122.820 -0.083 0.000 1.948 391 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 391 A C 2.388 179.945 177.584 -0.045 0.000 1.177 391 A CA 1.751 53.749 52.037 -0.064 0.000 0.636 391 A CB -0.649 18.314 19.000 -0.062 0.000 0.815 391 A HN 0.345 nan 8.150 nan 0.000 0.449 392 R N -0.817 119.658 120.500 -0.042 0.000 2.092 392 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 392 R C 1.530 177.823 176.300 -0.012 0.000 1.119 392 R CA 1.448 57.537 56.100 -0.019 0.000 0.970 392 R CB -0.332 29.965 30.300 -0.006 0.000 0.864 392 R HN 0.476 nan 8.270 nan 0.000 0.440 393 D N -0.594 119.795 120.400 -0.019 0.000 2.149 393 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 393 D C 1.727 178.020 176.300 -0.011 0.000 0.972 393 D CA 1.293 55.287 54.000 -0.009 0.000 0.835 393 D CB -0.174 40.618 40.800 -0.014 0.000 0.966 393 D HN 0.098 nan 8.370 nan 0.000 0.476 394 T N 0.500 115.039 114.554 -0.026 0.000 2.708 394 T HA -0.190 4.160 4.350 -0.000 0.000 0.266 394 T C 1.818 176.510 174.700 -0.013 0.000 1.037 394 T CA 1.553 63.638 62.100 -0.024 0.000 1.146 394 T CB -0.177 68.667 68.868 -0.041 0.000 0.865 394 T HN 0.156 nan 8.240 nan 0.000 0.435 395 K N 1.237 121.629 120.400 -0.013 0.000 2.020 395 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 395 K C 2.241 178.842 176.600 0.002 0.000 1.050 395 K CA 1.747 58.030 56.287 -0.006 0.000 0.929 395 K CB -0.102 32.394 32.500 -0.006 0.000 0.714 395 K HN 0.403 nan 8.250 nan 0.000 0.443 396 E N 0.341 120.544 120.200 0.005 0.000 2.031 396 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 396 E C 2.180 178.789 176.600 0.015 0.000 0.994 396 E CA 1.735 58.142 56.400 0.012 0.000 0.800 396 E CB -0.208 29.502 29.700 0.017 0.000 0.752 396 E HN 0.386 nan 8.360 nan 0.000 0.447 397 I N 0.776 121.355 120.570 0.016 0.000 2.127 397 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 397 I C 2.494 178.621 176.117 0.016 0.000 1.075 397 I CA 0.887 62.199 61.300 0.020 0.000 1.334 397 I CB -0.351 37.663 38.000 0.023 0.000 1.040 397 I HN -0.021 nan 8.210 nan 0.000 0.405 398 V N 0.494 120.414 119.914 0.010 0.000 2.332 398 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 398 V C 0.839 176.939 176.094 0.009 0.000 1.055 398 V CA 1.399 63.704 62.300 0.008 0.000 1.038 398 V CB -0.745 31.080 31.823 0.002 0.000 0.651 398 V HN 0.417 nan 8.190 nan 0.000 0.450 399 E N 1.024 121.229 120.200 0.008 0.000 2.037 399 E HA 0.301 4.651 4.350 -0.000 0.000 0.253 399 E C 0.015 176.622 176.600 0.012 0.000 1.265 399 E CA 0.336 56.742 56.400 0.009 0.000 0.972 399 E CB 0.053 29.758 29.700 0.009 0.000 1.054 399 E HN 0.389 nan 8.360 nan 0.000 0.432 400 K N 0.000 120.407 120.400 0.012 0.000 2.780 400 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 400 K CA 0.000 56.295 56.287 0.014 0.000 0.838 400 K CB 0.000 32.511 32.500 0.018 0.000 1.064 400 K HN 0.000 nan 8.250 nan 0.000 0.543