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 2drh_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKAQELGIKI GVFKPGKRNK ITDVKGVKVG HVTLIKGKGK LIPGKGPVRT DATA SEQUENCE GVTAILPHEG NIYKEKVLAG AFVMNGYSKP VGLIQLWELG TIETPIILTN DATA SEQUENCE TLSIGTAVEG LLDYILEENE DIGVTTGSVN PLVLECNDSY LNDIRGRHVK DATA SEQUENCE REHVVEAIKR ADEDFEEGAV GAGTGMSAFE FKGGIGSASR IVEIEGKKYT DATA SEQUENCE VGALVLSNFG RREDLTIAGV PVGLELKNWP GRXXXXXXSI IMIIATDAPL DATA SEQUENCE TGRQLNRVAK RAIVGLARTG GYAYNGSGDI AVAFSTANRI KHYEKEVIEI DATA SEQUENCE KALPDSVISP LFKATAEAVE EAIINSLLEA RTMDGRDNHV RYALPKEELL DATA SEQUENCE RIMRRYGRL 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 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 K N 0.089 120.475 120.400 -0.023 0.000 2.306 2 K HA 0.714 5.033 4.320 -0.000 0.000 0.236 2 K C 0.524 177.111 176.600 -0.022 0.000 1.013 2 K CA 0.211 56.487 56.287 -0.018 0.000 0.857 2 K CB 1.809 34.301 32.500 -0.014 0.000 1.214 2 K HN 0.463 nan 8.250 nan 0.000 0.449 3 A N 0.779 123.588 122.820 -0.018 0.000 1.884 3 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 3 A C 2.089 179.660 177.584 -0.020 0.000 1.197 3 A CA 2.069 54.092 52.037 -0.022 0.000 0.637 3 A CB -0.675 18.316 19.000 -0.014 0.000 0.827 3 A HN 0.843 nan 8.150 nan 0.000 0.450 4 Q N -0.394 119.398 119.800 -0.013 0.000 2.135 4 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 4 Q C 1.780 177.772 176.000 -0.015 0.000 0.981 4 Q CA 1.680 57.477 55.803 -0.011 0.000 0.856 4 Q CB -0.171 28.564 28.738 -0.005 0.000 0.902 4 Q HN 0.853 nan 8.270 nan 0.000 0.425 5 E N -0.185 120.004 120.200 -0.017 0.000 2.516 5 E HA -0.130 4.220 4.350 -0.000 0.000 0.199 5 E C 1.160 177.747 176.600 -0.022 0.000 1.069 5 E CA 0.550 56.939 56.400 -0.018 0.000 0.876 5 E CB 0.074 29.762 29.700 -0.019 0.000 0.843 5 E HN 0.460 nan 8.360 nan 0.000 0.530 6 L N 0.010 121.217 121.223 -0.026 0.000 2.808 6 L HA 0.287 4.627 4.340 -0.000 0.000 0.246 6 L C 0.992 177.846 176.870 -0.028 0.000 1.153 6 L CA 0.160 54.981 54.840 -0.031 0.000 0.956 6 L CB 0.385 42.418 42.059 -0.044 0.000 1.270 6 L HN 0.251 nan 8.230 nan 0.000 0.528 7 G N 1.395 110.182 108.800 -0.021 0.000 2.160 7 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 7 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 7 G C 0.115 175.003 174.900 -0.020 0.000 1.008 7 G CA -0.039 45.050 45.100 -0.018 0.000 0.724 7 G HN 0.324 nan 8.290 nan 0.000 0.514 8 I N 0.787 121.342 120.570 -0.024 0.000 2.307 8 I HA 0.272 4.441 4.170 -0.000 0.000 0.289 8 I C 0.344 176.449 176.117 -0.019 0.000 1.021 8 I CA -0.504 60.780 61.300 -0.027 0.000 1.224 8 I CB 1.094 39.071 38.000 -0.038 0.000 1.376 8 I HN -0.010 nan 8.210 nan 0.000 0.470 9 K N 7.233 127.623 120.400 -0.017 0.000 2.234 9 K HA 0.537 4.857 4.320 -0.000 0.000 0.277 9 K C -0.825 175.768 176.600 -0.013 0.000 1.038 9 K CA -0.560 55.720 56.287 -0.012 0.000 0.888 9 K CB 1.620 34.112 32.500 -0.014 0.000 1.091 9 K HN 0.391 nan 8.250 nan 0.000 0.467 10 I N 2.945 123.513 120.570 -0.004 0.000 2.382 10 I HA 0.349 4.518 4.170 -0.000 0.000 0.286 10 I C 0.843 176.964 176.117 0.007 0.000 1.002 10 I CA 0.235 61.535 61.300 0.000 0.000 1.135 10 I CB 0.390 38.396 38.000 0.010 0.000 1.288 10 I HN 0.934 nan 8.210 nan 0.000 0.448 11 G N 5.027 113.822 108.800 -0.008 0.000 2.725 11 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.220 11 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.220 11 G C 0.268 175.126 174.900 -0.070 0.000 1.357 11 G CA -0.140 44.947 45.100 -0.023 0.000 0.866 11 G HN 0.957 nan 8.290 nan 0.000 0.548 12 V N -3.746 116.068 119.914 -0.166 0.000 3.548 12 V HA 0.623 4.743 4.120 -0.000 0.000 0.279 12 V C 0.940 176.893 176.094 -0.234 0.000 1.446 12 V CA 0.505 62.662 62.300 -0.239 0.000 1.023 12 V CB -0.207 31.400 31.823 -0.361 0.000 0.820 12 V HN 0.809 nan 8.190 nan 0.000 0.438 13 F N 3.082 123.038 119.950 0.010 0.000 2.371 13 F HA 0.601 5.128 4.527 -0.000 0.000 0.329 13 F C 0.908 176.713 175.800 0.009 0.000 1.107 13 F CA -1.278 56.728 58.000 0.011 0.000 1.137 13 F CB 0.956 39.966 39.000 0.016 0.000 1.214 13 F HN 0.126 nan 8.300 nan 0.000 0.536 14 K N 3.099 123.638 120.400 0.232 0.000 2.185 14 K HA 0.473 4.792 4.320 -0.000 0.000 0.271 14 K C -2.883 173.777 176.600 0.099 0.000 1.013 14 K CA -1.597 54.762 56.287 0.120 0.000 0.943 14 K CB 0.737 33.288 32.500 0.084 0.000 0.998 14 K HN 0.231 nan 8.250 nan 0.000 0.468 15 P HA 0.091 nan 4.420 nan 0.000 0.277 15 P C -0.145 177.175 177.300 0.034 0.000 1.271 15 P CA -0.364 62.766 63.100 0.050 0.000 0.795 15 P CB 0.623 32.346 31.700 0.039 0.000 1.101 16 G N -0.030 108.787 108.800 0.027 0.000 2.528 16 G HA2 0.142 4.101 3.960 -0.000 0.000 0.289 16 G HA3 0.142 4.101 3.960 -0.000 0.000 0.289 16 G C 0.885 175.793 174.900 0.013 0.000 1.192 16 G CA -0.551 44.561 45.100 0.019 0.000 0.921 16 G HN 0.368 nan 8.290 nan 0.000 0.512 17 K N -0.261 120.145 120.400 0.009 0.000 2.059 17 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 17 K C 2.497 179.094 176.600 -0.005 0.000 1.050 17 K CA 1.429 57.718 56.287 0.003 0.000 0.927 17 K CB -0.031 32.471 32.500 0.003 0.000 0.714 17 K HN 0.358 nan 8.250 nan 0.000 0.447 18 R N 0.072 120.569 120.500 -0.005 0.000 2.210 18 R HA 0.007 4.347 4.340 -0.000 0.000 0.203 18 R C 0.458 176.740 176.300 -0.031 0.000 1.010 18 R CA 0.286 56.369 56.100 -0.028 0.000 1.008 18 R CB -0.108 30.173 30.300 -0.032 0.000 0.923 18 R HN 0.209 nan 8.270 nan 0.000 0.469 19 N N 1.080 119.779 118.700 -0.002 0.000 2.758 19 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 19 N C -1.479 174.042 175.510 0.020 0.000 1.076 19 N CA 1.004 54.061 53.050 0.012 0.000 0.696 19 N CB -0.714 37.775 38.487 0.003 0.000 0.979 19 N HN 0.236 nan 8.380 nan 0.000 0.550 20 K N -0.284 120.142 120.400 0.042 0.000 2.480 20 K HA 0.402 4.722 4.320 -0.000 0.000 0.258 20 K C 1.104 177.811 176.600 0.179 0.000 0.990 20 K CA -0.702 55.657 56.287 0.120 0.000 0.857 20 K CB 1.073 33.577 32.500 0.007 0.000 1.384 20 K HN 0.031 nan 8.250 nan 0.000 0.446 21 I N 1.261 121.994 120.570 0.271 0.000 2.454 21 I HA -0.235 3.935 4.170 -0.000 0.000 0.254 21 I C 1.611 177.823 176.117 0.158 0.000 1.156 21 I CA 1.809 63.208 61.300 0.164 0.000 1.433 21 I CB 0.112 38.184 38.000 0.120 0.000 1.082 21 I HN 0.803 nan 8.210 nan 0.000 0.432 22 T N -3.000 111.705 114.554 0.252 0.000 3.155 22 T HA -0.096 4.254 4.350 -0.000 0.000 0.264 22 T C 1.346 176.121 174.700 0.124 0.000 1.160 22 T CA 0.604 62.823 62.100 0.198 0.000 1.075 22 T CB -0.480 68.548 68.868 0.267 0.000 0.921 22 T HN 0.311 nan 8.240 nan 0.000 0.533 23 D N 1.151 121.611 120.400 0.100 0.000 2.310 23 D HA 0.019 4.659 4.640 -0.000 0.000 0.212 23 D C 0.307 176.641 176.300 0.057 0.000 0.965 23 D CA 0.344 54.382 54.000 0.063 0.000 0.879 23 D CB 0.033 40.861 40.800 0.047 0.000 0.921 23 D HN 0.305 nan 8.370 nan 0.000 0.510 24 V N 2.127 122.080 119.914 0.066 0.000 2.372 24 V HA -0.002 4.118 4.120 -0.000 0.000 0.261 24 V C 0.628 176.774 176.094 0.086 0.000 1.055 24 V CA -0.726 61.611 62.300 0.063 0.000 0.930 24 V CB 0.789 32.638 31.823 0.043 0.000 1.031 24 V HN -0.037 nan 8.190 nan 0.000 0.479 25 K N 4.134 124.579 120.400 0.076 0.000 2.511 25 K HA 0.132 4.452 4.320 -0.000 0.000 0.277 25 K C 1.312 177.972 176.600 0.101 0.000 1.025 25 K CA 1.284 57.617 56.287 0.077 0.000 1.112 25 K CB -0.167 32.369 32.500 0.060 0.000 0.859 25 K HN 1.024 nan 8.250 nan 0.000 0.485 26 G N 2.176 111.037 108.800 0.101 0.000 2.284 26 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.230 26 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.230 26 G C -0.033 174.949 174.900 0.137 0.000 1.021 26 G CA -0.029 45.145 45.100 0.124 0.000 0.619 26 G HN 0.581 nan 8.290 nan 0.000 0.510 27 V N 1.906 121.906 119.914 0.145 0.000 2.585 27 V HA 0.458 4.578 4.120 -0.000 0.000 0.296 27 V C 0.564 176.715 176.094 0.096 0.000 1.035 27 V CA 0.667 63.054 62.300 0.145 0.000 1.084 27 V CB 1.219 33.150 31.823 0.180 0.000 0.953 27 V HN 0.437 nan 8.190 nan 0.000 0.483 28 K N 3.385 123.812 120.400 0.045 0.000 2.375 28 K HA 0.824 5.144 4.320 -0.000 0.000 0.249 28 K C -1.557 174.991 176.600 -0.086 0.000 0.942 28 K CA -0.730 55.562 56.287 0.007 0.000 0.806 28 K CB 2.663 35.163 32.500 0.001 0.000 1.227 28 K HN 0.382 nan 8.250 nan 0.000 0.430 29 V N 1.153 120.987 119.914 -0.134 0.000 2.686 29 V HA 0.682 4.802 4.120 -0.000 0.000 0.306 29 V C -0.317 175.572 176.094 -0.342 0.000 1.065 29 V CA -0.741 61.352 62.300 -0.346 0.000 0.894 29 V CB 1.966 33.313 31.823 -0.794 0.000 1.004 29 V HN 0.942 nan 8.190 nan 0.000 0.424 30 G N 2.542 111.100 108.800 -0.404 0.000 2.563 30 G HA2 0.796 4.756 3.960 -0.000 0.000 0.302 30 G HA3 0.796 4.756 3.960 -0.000 0.000 0.302 30 G C -1.501 173.139 174.900 -0.433 0.000 1.301 30 G CA -0.408 44.483 45.100 -0.348 0.000 0.965 30 G HN 0.622 nan 8.290 nan 0.000 0.480 31 H N -1.035 118.024 119.070 -0.018 0.000 2.907 31 H HA 0.729 5.285 4.556 -0.000 0.000 0.361 31 H C -1.159 174.153 175.328 -0.027 0.000 1.194 31 H CA -0.710 55.325 56.048 -0.021 0.000 1.152 31 H CB 2.360 32.125 29.762 0.005 0.000 1.867 31 H HN 0.347 nan 8.280 nan 0.000 0.561 32 V N 1.651 121.629 119.914 0.107 0.000 2.610 32 V HA 0.208 4.328 4.120 -0.000 0.000 0.298 32 V C -0.463 175.604 176.094 -0.045 0.000 1.067 32 V CA -0.557 61.739 62.300 -0.005 0.000 0.894 32 V CB 1.983 33.772 31.823 -0.057 0.000 1.015 32 V HN 0.813 nan 8.190 nan 0.000 0.432 33 T N 6.644 121.163 114.554 -0.058 0.000 2.824 33 T HA 0.716 5.066 4.350 -0.000 0.000 0.280 33 T C -0.462 174.178 174.700 -0.100 0.000 0.995 33 T CA -0.346 61.713 62.100 -0.069 0.000 1.009 33 T CB 1.156 69.996 68.868 -0.046 0.000 0.955 33 T HN 0.384 nan 8.240 nan 0.000 0.452 34 L N 4.506 125.673 121.223 -0.093 0.000 2.353 34 L HA 0.584 4.924 4.340 -0.000 0.000 0.270 34 L C -0.760 176.071 176.870 -0.064 0.000 1.003 34 L CA -0.527 54.257 54.840 -0.093 0.000 0.862 34 L CB 0.822 42.821 42.059 -0.100 0.000 1.221 34 L HN 0.499 nan 8.230 nan 0.000 0.430 35 I N 3.662 124.195 120.570 -0.060 0.000 2.436 35 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 35 I C -0.470 175.610 176.117 -0.062 0.000 1.010 35 I CA -0.578 60.688 61.300 -0.056 0.000 1.098 35 I CB 2.175 40.151 38.000 -0.041 0.000 1.266 35 I HN 0.512 nan 8.210 nan 0.000 0.434 36 K N 4.533 124.886 120.400 -0.078 0.000 2.583 36 K HA 0.587 4.907 4.320 -0.000 0.000 0.260 36 K C -0.552 175.995 176.600 -0.089 0.000 0.931 36 K CA -0.165 56.074 56.287 -0.080 0.000 0.849 36 K CB 2.070 34.514 32.500 -0.093 0.000 1.347 36 K HN 0.900 nan 8.250 nan 0.000 0.425 37 G N 2.629 111.389 108.800 -0.067 0.000 2.829 37 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.628 37 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.628 37 G C -1.405 173.459 174.900 -0.060 0.000 1.412 37 G CA -0.300 44.762 45.100 -0.064 0.000 0.864 37 G HN 0.597 nan 8.290 nan 0.000 0.544 38 K N -0.542 119.824 120.400 -0.056 0.000 2.597 38 K HA 0.683 5.003 4.320 -0.000 0.000 0.282 38 K C 0.376 176.941 176.600 -0.059 0.000 0.975 38 K CA -0.050 56.203 56.287 -0.056 0.000 0.867 38 K CB 1.993 34.466 32.500 -0.044 0.000 1.465 38 K HN 2.572 nan 8.250 nan 0.000 0.417 39 G N 1.543 110.302 108.800 -0.068 0.000 2.472 39 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.205 39 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.205 39 G C -1.058 173.785 174.900 -0.095 0.000 1.270 39 G CA -0.571 44.486 45.100 -0.071 0.000 0.974 39 G HN 0.545 nan 8.290 nan 0.000 0.542 40 K N -0.287 120.063 120.400 -0.083 0.000 2.469 40 K HA 0.306 4.626 4.320 -0.000 0.000 0.274 40 K C 0.534 177.078 176.600 -0.092 0.000 0.983 40 K CA -0.385 55.846 56.287 -0.093 0.000 0.974 40 K CB 0.341 32.802 32.500 -0.065 0.000 0.913 40 K HN 0.769 nan 8.250 nan 0.000 0.493 41 L N 5.813 126.971 121.223 -0.109 0.000 2.418 41 L HA 0.175 4.515 4.340 -0.000 0.000 0.274 41 L C -0.611 176.232 176.870 -0.045 0.000 1.135 41 L CA 0.755 55.544 54.840 -0.085 0.000 0.870 41 L CB 0.217 42.217 42.059 -0.098 0.000 1.154 41 L HN 0.496 nan 8.230 nan 0.000 0.462 42 I N 7.777 128.332 120.570 -0.025 0.000 2.557 42 I HA 0.270 4.440 4.170 -0.000 0.000 0.277 42 I C -2.053 174.076 176.117 0.020 0.000 1.106 42 I CA -1.833 59.463 61.300 -0.006 0.000 1.180 42 I CB 0.632 38.629 38.000 -0.005 0.000 1.392 42 I HN 0.515 nan 8.210 nan 0.000 0.506 43 P HA -0.101 nan 4.420 nan 0.000 0.252 43 P C 1.036 178.359 177.300 0.038 0.000 1.147 43 P CA 1.226 64.343 63.100 0.027 0.000 0.779 43 P CB 0.227 31.933 31.700 0.011 0.000 0.733 44 G N 2.899 111.740 108.800 0.069 0.000 2.213 44 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 44 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 44 G C 0.922 175.926 174.900 0.174 0.000 0.992 44 G CA 0.492 45.625 45.100 0.054 0.000 0.632 44 G HN 0.586 nan 8.290 nan 0.000 0.511 45 K N -0.195 120.314 120.400 0.181 0.000 2.380 45 K HA 0.533 4.853 4.320 -0.000 0.000 0.200 45 K C 1.134 177.756 176.600 0.035 0.000 1.201 45 K CA 1.467 57.844 56.287 0.149 0.000 0.916 45 K CB 0.704 33.237 32.500 0.055 0.000 1.187 45 K HN 1.451 nan 8.250 nan 0.000 0.498 46 G N 0.466 109.277 108.800 0.019 0.000 2.356 46 G HA2 0.089 4.048 3.960 -0.000 0.000 0.288 46 G HA3 0.089 4.048 3.960 -0.000 0.000 0.288 46 G C -3.093 171.775 174.900 -0.052 0.000 1.302 46 G CA -1.136 43.907 45.100 -0.094 0.000 0.887 46 G HN -0.121 nan 8.290 nan 0.000 0.521 47 P HA 0.379 nan 4.420 nan 0.000 0.267 47 P C -0.177 177.045 177.300 -0.129 0.000 1.200 47 P CA -0.231 62.807 63.100 -0.103 0.000 0.772 47 P CB 1.011 32.659 31.700 -0.087 0.000 0.855 48 V N 5.496 125.301 119.914 -0.181 0.000 2.370 48 V HA 0.410 4.529 4.120 -0.000 0.000 0.279 48 V C 0.542 176.582 176.094 -0.090 0.000 1.029 48 V CA -0.126 62.053 62.300 -0.200 0.000 0.870 48 V CB 0.839 32.458 31.823 -0.340 0.000 0.984 48 V HN 0.453 nan 8.190 nan 0.000 0.451 49 R N 2.939 123.418 120.500 -0.035 0.000 2.818 49 R HA 0.527 4.867 4.340 -0.000 0.000 0.258 49 R C -0.427 175.881 176.300 0.013 0.000 1.797 49 R CA -0.141 55.951 56.100 -0.013 0.000 1.532 49 R CB 1.468 31.766 30.300 -0.004 0.000 1.413 49 R HN 0.823 nan 8.270 nan 0.000 0.622 50 T N -1.715 112.843 114.554 0.007 0.000 2.637 50 T HA 0.814 5.164 4.350 -0.000 0.000 0.303 50 T C -0.824 173.874 174.700 -0.004 0.000 1.288 50 T CA 0.194 62.306 62.100 0.021 0.000 1.040 50 T CB 1.932 70.836 68.868 0.059 0.000 1.644 50 T HN 0.554 nan 8.240 nan 0.000 0.480 51 G N -0.413 108.391 108.800 0.006 0.000 2.336 51 G HA2 0.502 4.462 3.960 -0.000 0.000 0.286 51 G HA3 0.502 4.462 3.960 -0.000 0.000 0.286 51 G C -2.076 172.832 174.900 0.012 0.000 1.269 51 G CA 0.191 45.280 45.100 -0.018 0.000 0.873 51 G HN 1.118 nan 8.290 nan 0.000 0.494 52 V N -0.100 119.825 119.914 0.018 0.000 2.841 52 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 52 V C -0.435 175.708 176.094 0.082 0.000 1.090 52 V CA -0.573 61.752 62.300 0.042 0.000 0.930 52 V CB 2.049 33.897 31.823 0.042 0.000 1.014 52 V HN 0.931 nan 8.190 nan 0.000 0.425 53 T N 3.265 117.866 114.554 0.078 0.000 2.848 53 T HA 0.782 5.132 4.350 -0.000 0.000 0.285 53 T C -0.373 174.318 174.700 -0.015 0.000 0.995 53 T CA -0.329 61.843 62.100 0.121 0.000 0.970 53 T CB 1.728 70.701 68.868 0.175 0.000 0.976 53 T HN 1.008 nan 8.240 nan 0.000 0.441 54 A N 3.061 125.821 122.820 -0.100 0.000 2.342 54 A HA 0.858 5.178 4.320 -0.000 0.000 0.323 54 A C -1.042 176.437 177.584 -0.175 0.000 1.125 54 A CA -0.646 51.309 52.037 -0.136 0.000 0.785 54 A CB 0.441 19.344 19.000 -0.161 0.000 1.221 54 A HN 0.709 nan 8.150 nan 0.000 0.463 55 I N 2.268 122.751 120.570 -0.145 0.000 2.418 55 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 55 I C -0.580 175.451 176.117 -0.143 0.000 1.008 55 I CA 0.064 61.286 61.300 -0.131 0.000 1.104 55 I CB 1.726 39.688 38.000 -0.062 0.000 1.264 55 I HN 0.494 nan 8.210 nan 0.000 0.438 56 L N 8.186 129.331 121.223 -0.130 0.000 2.262 56 L HA 0.385 4.725 4.340 -0.000 0.000 0.288 56 L C -1.591 175.185 176.870 -0.156 0.000 1.035 56 L CA -1.520 53.223 54.840 -0.162 0.000 0.820 56 L CB 1.363 43.352 42.059 -0.117 0.000 1.204 56 L HN 0.332 nan 8.230 nan 0.000 0.424 57 P HA -0.162 nan 4.420 nan 0.000 0.216 57 P C -0.553 176.738 177.300 -0.015 0.000 1.150 57 P CA 1.547 64.431 63.100 -0.360 0.000 0.843 57 P CB 0.150 31.438 31.700 -0.686 0.000 0.787 58 H N -5.046 114.014 119.070 -0.016 0.000 2.948 58 H HA 0.287 4.843 4.556 -0.000 0.000 0.315 58 H C 0.613 175.953 175.328 0.021 0.000 1.360 58 H CA -0.865 55.199 56.048 0.026 0.000 1.125 58 H CB -0.084 29.698 29.762 0.033 0.000 1.844 58 H HN -0.284 nan 8.280 nan 0.000 0.529 59 E N 0.655 121.033 120.200 0.298 0.000 2.478 59 E HA 0.079 4.429 4.350 -0.000 0.000 0.198 59 E C 0.650 177.390 176.600 0.234 0.000 1.046 59 E CA 0.892 57.409 56.400 0.195 0.000 0.870 59 E CB -0.477 29.295 29.700 0.120 0.000 0.818 59 E HN 0.685 nan 8.360 nan 0.000 0.527 60 G N 0.846 109.919 108.800 0.456 0.000 2.773 60 G HA2 0.072 4.032 3.960 -0.000 0.000 0.186 60 G HA3 0.072 4.032 3.960 -0.000 0.000 0.186 60 G C -0.436 174.628 174.900 0.274 0.000 1.411 60 G CA -0.591 44.687 45.100 0.297 0.000 1.054 60 G HN 0.186 nan 8.290 nan 0.000 0.579 61 N N 0.375 119.220 118.700 0.243 0.000 2.415 61 N HA 0.124 4.864 4.740 -0.000 0.000 0.246 61 N C 1.077 176.702 175.510 0.191 0.000 1.078 61 N CA -0.352 52.793 53.050 0.160 0.000 0.942 61 N CB 1.045 39.597 38.487 0.108 0.000 1.140 61 N HN 0.177 nan 8.380 nan 0.000 0.501 62 I N 3.777 124.379 120.570 0.054 0.000 2.493 62 I HA -0.174 3.996 4.170 -0.000 0.000 0.254 62 I C 1.733 177.872 176.117 0.037 0.000 1.160 62 I CA 0.779 62.045 61.300 -0.057 0.000 1.445 62 I CB -0.619 37.255 38.000 -0.209 0.000 1.086 62 I HN 0.577 nan 8.210 nan 0.000 0.433 63 Y N 1.712 121.974 120.300 -0.063 0.000 2.184 63 Y HA -0.123 4.426 4.550 -0.000 0.000 0.290 63 Y C 2.300 178.133 175.900 -0.112 0.000 1.129 63 Y CA 1.559 59.593 58.100 -0.111 0.000 1.144 63 Y CB 0.001 38.361 38.460 -0.166 0.000 0.995 63 Y HN -0.096 nan 8.280 nan 0.000 0.513 64 K N 0.684 121.036 120.400 -0.081 0.000 2.155 64 K HA -0.019 4.300 4.320 -0.000 0.000 0.203 64 K C -0.142 176.440 176.600 -0.030 0.000 1.052 64 K CA 1.025 57.250 56.287 -0.103 0.000 0.948 64 K CB -0.080 32.448 32.500 0.047 0.000 0.728 64 K HN 0.469 nan 8.250 nan 0.000 0.448 65 E N 1.681 121.906 120.200 0.042 0.000 2.489 65 E HA 0.153 4.502 4.350 -0.000 0.000 0.232 65 E C -0.865 175.824 176.600 0.147 0.000 0.990 65 E CA -0.215 56.236 56.400 0.085 0.000 0.768 65 E CB 1.139 30.888 29.700 0.081 0.000 1.270 65 E HN 0.060 nan 8.360 nan 0.000 0.423 66 K N 0.719 121.142 120.400 0.040 0.000 2.138 66 K HA 0.398 4.718 4.320 -0.000 0.000 0.251 66 K C 0.256 176.887 176.600 0.053 0.000 1.015 66 K CA -0.557 55.740 56.287 0.017 0.000 0.917 66 K CB 1.012 33.492 32.500 -0.032 0.000 1.021 66 K HN 0.178 nan 8.250 nan 0.000 0.485 67 V N -1.218 118.711 119.914 0.025 0.000 2.769 67 V HA 0.425 4.545 4.120 -0.000 0.000 0.312 67 V C -0.269 175.860 176.094 0.058 0.000 1.061 67 V CA -1.311 61.028 62.300 0.065 0.000 0.931 67 V CB 1.168 33.041 31.823 0.084 0.000 1.010 67 V HN 0.570 nan 8.190 nan 0.000 0.433 68 L N 3.271 124.545 121.223 0.085 0.000 2.456 68 L HA 0.669 5.009 4.340 -0.000 0.000 0.272 68 L C 0.583 177.528 176.870 0.125 0.000 1.189 68 L CA 0.675 55.565 54.840 0.082 0.000 0.846 68 L CB 0.870 42.972 42.059 0.072 0.000 1.111 68 L HN 1.091 nan 8.230 nan 0.000 0.475 69 A N 1.968 124.853 122.820 0.109 0.000 2.609 69 A HA 0.892 5.212 4.320 -0.000 0.000 0.291 69 A C -0.529 177.128 177.584 0.122 0.000 1.096 69 A CA -0.000 52.120 52.037 0.140 0.000 0.684 69 A CB 1.819 20.886 19.000 0.113 0.000 1.282 69 A HN 0.744 nan 8.150 nan 0.000 0.412 70 G N -1.330 107.552 108.800 0.136 0.000 2.725 70 G HA2 0.970 4.930 3.960 -0.000 0.000 0.288 70 G HA3 0.970 4.930 3.960 -0.000 0.000 0.288 70 G C -0.789 174.209 174.900 0.164 0.000 1.399 70 G CA -0.010 45.195 45.100 0.174 0.000 0.859 70 G HN 2.194 nan 8.290 nan 0.000 0.479 71 A N -0.917 122.085 122.820 0.302 0.000 2.599 71 A HA 0.736 5.056 4.320 -0.000 0.000 0.294 71 A C -2.224 175.716 177.584 0.593 0.000 1.055 71 A CA -0.543 51.670 52.037 0.294 0.000 0.683 71 A CB 1.518 20.505 19.000 -0.023 0.000 1.278 71 A HN 1.857 nan 8.150 nan 0.000 0.412 72 F N 1.472 121.580 119.950 0.263 0.000 2.574 72 F HA 0.624 5.151 4.527 -0.000 0.000 0.313 72 F C -1.298 174.613 175.800 0.185 0.000 1.130 72 F CA -0.774 57.364 58.000 0.230 0.000 0.936 72 F CB 2.079 41.133 39.000 0.091 0.000 1.219 72 F HN 0.402 nan 8.300 nan 0.000 0.445 73 V N 8.649 128.133 119.914 -0.717 0.000 2.304 73 V HA 0.103 4.223 4.120 -0.000 0.000 0.269 73 V C 0.868 176.259 176.094 -1.172 0.000 1.036 73 V CA -0.322 61.605 62.300 -0.621 0.000 0.840 73 V CB 0.851 32.554 31.823 -0.201 0.000 1.036 73 V HN 1.007 nan 8.190 nan 0.000 0.466 74 M N 4.885 123.984 119.600 -0.835 0.000 2.123 74 M HA 0.099 4.579 4.480 -0.000 0.000 0.263 74 M C 0.702 176.877 176.300 -0.209 0.000 1.069 74 M CA 1.693 56.744 55.300 -0.415 0.000 1.133 74 M CB -0.218 32.368 32.600 -0.023 0.000 1.356 74 M HN 0.633 nan 8.290 nan 0.000 0.415 75 N N -0.608 118.002 118.700 -0.150 0.000 2.500 75 N HA 0.446 5.186 4.740 -0.000 0.000 0.291 75 N C -0.114 175.384 175.510 -0.021 0.000 1.092 75 N CA 0.069 53.087 53.050 -0.053 0.000 0.890 75 N CB 1.385 39.870 38.487 -0.003 0.000 1.466 75 N HN 0.223 nan 8.380 nan 0.000 0.507 76 G N 1.851 110.648 108.800 -0.007 0.000 3.295 76 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.231 76 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.231 76 G C -0.227 174.701 174.900 0.046 0.000 1.277 76 G CA 0.075 45.181 45.100 0.009 0.000 1.013 76 G HN 0.633 nan 8.290 nan 0.000 0.509 77 Y N 1.668 121.960 120.300 -0.013 0.000 2.930 77 Y HA 0.509 5.059 4.550 -0.000 0.000 0.386 77 Y C 0.490 176.390 175.900 -0.001 0.000 1.185 77 Y CA -0.677 57.424 58.100 0.001 0.000 1.922 77 Y CB -0.237 38.231 38.460 0.014 0.000 2.006 77 Y HN 0.114 nan 8.280 nan 0.000 0.431 78 S N 1.398 117.108 115.700 0.016 0.000 2.595 78 S HA 0.564 5.034 4.470 -0.000 0.000 0.281 78 S C -0.826 173.748 174.600 -0.044 0.000 1.117 78 S CA -0.883 57.326 58.200 0.014 0.000 0.873 78 S CB 1.072 64.282 63.200 0.018 0.000 1.108 78 S HN 0.279 nan 8.310 nan 0.000 0.477 79 K N 2.895 123.276 120.400 -0.032 0.000 3.082 79 K HA 0.378 4.698 4.320 -0.000 0.000 0.203 79 K C -2.549 174.029 176.600 -0.037 0.000 1.177 79 K CA -1.811 54.450 56.287 -0.043 0.000 1.041 79 K CB 0.734 33.210 32.500 -0.040 0.000 1.312 79 K HN 0.389 nan 8.250 nan 0.000 0.526 80 P HA 0.123 nan 4.420 nan 0.000 0.275 80 P C -0.436 176.823 177.300 -0.067 0.000 1.228 80 P CA -0.369 62.695 63.100 -0.059 0.000 0.786 80 P CB 1.483 33.135 31.700 -0.080 0.000 0.927 81 V N 1.825 121.696 119.914 -0.071 0.000 2.495 81 V HA 0.570 4.690 4.120 -0.000 0.000 0.298 81 V C 1.200 177.239 176.094 -0.093 0.000 1.031 81 V CA 0.619 62.878 62.300 -0.069 0.000 0.871 81 V CB 0.681 32.473 31.823 -0.050 0.000 0.988 81 V HN 0.985 nan 8.190 nan 0.000 0.432 82 G N 3.510 112.252 108.800 -0.097 0.000 2.176 82 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.232 82 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.232 82 G C 0.598 175.380 174.900 -0.196 0.000 0.986 82 G CA 0.352 45.383 45.100 -0.115 0.000 0.643 82 G HN 0.593 nan 8.290 nan 0.000 0.522 83 L N -0.296 120.754 121.223 -0.288 0.000 2.156 83 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 83 L C 2.807 179.358 176.870 -0.532 0.000 1.095 83 L CA 0.967 55.447 54.840 -0.600 0.000 0.770 83 L CB -0.395 41.140 42.059 -0.873 0.000 0.914 83 L HN 0.289 nan 8.230 nan 0.000 0.439 84 I N 0.030 120.506 120.570 -0.157 0.000 2.163 84 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 84 I C 2.675 178.843 176.117 0.085 0.000 1.085 84 I CA 1.547 62.910 61.300 0.104 0.000 1.347 84 I CB -0.479 37.584 38.000 0.105 0.000 1.044 84 I HN 0.283 nan 8.210 nan 0.000 0.408 85 Q N 0.116 119.918 119.800 0.003 0.000 2.172 85 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 85 Q C 2.367 178.370 176.000 0.004 0.000 0.964 85 Q CA 1.071 56.886 55.803 0.019 0.000 0.855 85 Q CB -0.116 28.625 28.738 0.005 0.000 0.918 85 Q HN 0.561 nan 8.270 nan 0.000 0.444 86 L N -0.383 120.787 121.223 -0.088 0.000 2.042 86 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 86 L C 1.808 178.675 176.870 -0.006 0.000 1.076 86 L CA 1.297 56.065 54.840 -0.119 0.000 0.749 86 L CB -0.269 41.618 42.059 -0.286 0.000 0.893 86 L HN 0.455 nan 8.230 nan 0.000 0.432 87 W N 0.245 121.558 121.300 0.021 0.000 2.409 87 W HA -0.149 4.511 4.660 -0.000 0.000 0.299 87 W C 2.590 179.120 176.519 0.019 0.000 1.203 87 W CA 1.225 58.585 57.345 0.024 0.000 1.298 87 W CB -0.713 28.760 29.460 0.022 0.000 1.127 87 W HN 0.315 nan 8.180 nan 0.000 0.528 88 E N 0.478 120.824 120.200 0.244 0.000 2.047 88 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 88 E C 2.101 178.758 176.600 0.095 0.000 0.987 88 E CA 1.516 58.001 56.400 0.142 0.000 0.799 88 E CB -0.583 29.181 29.700 0.106 0.000 0.752 88 E HN 0.157 nan 8.360 nan 0.000 0.449 89 L N -1.627 119.641 121.223 0.076 0.000 2.554 89 L HA 0.321 4.661 4.340 -0.000 0.000 0.225 89 L C 1.381 178.280 176.870 0.048 0.000 1.104 89 L CA 0.306 55.174 54.840 0.046 0.000 0.866 89 L CB 0.046 42.119 42.059 0.023 0.000 1.047 89 L HN 0.413 nan 8.230 nan 0.000 0.468 90 G N 1.722 110.565 108.800 0.072 0.000 2.179 90 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 90 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 90 G C 0.312 175.240 174.900 0.048 0.000 1.010 90 G CA 0.644 45.789 45.100 0.075 0.000 0.736 90 G HN 0.454 nan 8.290 nan 0.000 0.513 91 T N -2.403 112.164 114.554 0.022 0.000 2.901 91 T HA 0.780 5.130 4.350 -0.000 0.000 0.293 91 T C -0.367 174.316 174.700 -0.027 0.000 1.084 91 T CA -0.994 61.108 62.100 0.003 0.000 1.008 91 T CB 2.801 71.666 68.868 -0.006 0.000 1.170 91 T HN 0.511 nan 8.240 nan 0.000 0.509 92 I N 1.466 122.005 120.570 -0.051 0.000 2.465 92 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 92 I C 0.416 176.481 176.117 -0.086 0.000 1.014 92 I CA -0.763 60.480 61.300 -0.096 0.000 1.093 92 I CB 2.102 39.994 38.000 -0.180 0.000 1.267 92 I HN 1.013 nan 8.210 nan 0.000 0.431 93 E N 3.563 123.733 120.200 -0.050 0.000 2.812 93 E HA 0.221 4.571 4.350 -0.000 0.000 0.211 93 E C -0.413 176.216 176.600 0.048 0.000 0.986 93 E CA -0.380 56.023 56.400 0.005 0.000 1.119 93 E CB 0.740 30.479 29.700 0.065 0.000 1.046 93 E HN 0.618 nan 8.360 nan 0.000 0.474 94 T N -2.054 112.477 114.554 -0.038 0.000 2.802 94 T HA 0.435 4.785 4.350 -0.000 0.000 0.311 94 T C -3.107 171.533 174.700 -0.099 0.000 1.405 94 T CA -1.900 60.184 62.100 -0.027 0.000 1.016 94 T CB 1.716 70.576 68.868 -0.014 0.000 1.352 94 T HN -0.194 nan 8.240 nan 0.000 0.498 95 P HA 0.392 nan 4.420 nan 0.000 0.272 95 P C -0.522 176.698 177.300 -0.134 0.000 1.230 95 P CA -0.487 62.529 63.100 -0.141 0.000 0.788 95 P CB 0.511 32.123 31.700 -0.145 0.000 0.949 96 I N 2.141 122.621 120.570 -0.150 0.000 2.325 96 I HA 0.255 4.424 4.170 -0.000 0.000 0.291 96 I C 0.459 176.523 176.117 -0.088 0.000 1.019 96 I CA -0.550 60.682 61.300 -0.112 0.000 1.302 96 I CB 0.454 38.395 38.000 -0.099 0.000 1.401 96 I HN 0.042 nan 8.210 nan 0.000 0.485 97 I N 7.432 127.960 120.570 -0.069 0.000 2.412 97 I HA 0.480 4.650 4.170 -0.000 0.000 0.296 97 I C -0.168 175.930 176.117 -0.030 0.000 0.987 97 I CA -0.583 60.686 61.300 -0.052 0.000 1.180 97 I CB 1.584 39.556 38.000 -0.046 0.000 1.340 97 I HN 0.422 nan 8.210 nan 0.000 0.455 98 L N 4.878 126.092 121.223 -0.014 0.000 2.365 98 L HA 0.734 5.074 4.340 -0.000 0.000 0.273 98 L C 0.062 176.941 176.870 0.015 0.000 1.000 98 L CA -0.185 54.656 54.840 0.002 0.000 0.819 98 L CB 2.299 44.365 42.059 0.012 0.000 1.284 98 L HN 0.652 nan 8.230 nan 0.000 0.418 99 T N 0.290 114.855 114.554 0.018 0.000 2.649 99 T HA 0.266 4.615 4.350 -0.000 0.000 0.305 99 T C -1.639 173.080 174.700 0.031 0.000 1.409 99 T CA -0.675 61.441 62.100 0.027 0.000 1.021 99 T CB 1.404 70.289 68.868 0.028 0.000 1.726 99 T HN 0.792 nan 8.240 nan 0.000 0.475 100 N N 0.139 118.861 118.700 0.038 0.000 2.513 100 N HA 0.287 5.027 4.740 -0.000 0.000 0.274 100 N C 1.143 176.675 175.510 0.036 0.000 1.189 100 N CA 0.368 53.444 53.050 0.043 0.000 0.975 100 N CB 0.409 38.927 38.487 0.052 0.000 1.157 100 N HN 0.501 nan 8.380 nan 0.000 0.465 101 T N 0.804 115.382 114.554 0.041 0.000 2.649 101 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 101 T C 1.232 175.944 174.700 0.021 0.000 1.036 101 T CA 1.489 63.610 62.100 0.034 0.000 1.157 101 T CB -0.321 68.578 68.868 0.052 0.000 0.861 101 T HN 0.354 nan 8.240 nan 0.000 0.445 102 L N 0.650 121.886 121.223 0.022 0.000 2.599 102 L HA 0.229 4.569 4.340 -0.000 0.000 0.230 102 L C 1.869 178.739 176.870 0.000 0.000 1.141 102 L CA 0.939 55.784 54.840 0.008 0.000 0.877 102 L CB -0.166 41.897 42.059 0.006 0.000 1.009 102 L HN 0.090 nan 8.230 nan 0.000 0.447 103 S N -0.965 114.741 115.700 0.009 0.000 2.568 103 S HA 0.191 4.661 4.470 -0.000 0.000 0.232 103 S C 1.805 176.407 174.600 0.004 0.000 0.975 103 S CA -0.247 57.958 58.200 0.008 0.000 0.949 103 S CB 0.055 63.271 63.200 0.026 0.000 0.829 103 S HN 0.458 nan 8.310 nan 0.000 0.479 104 I N -0.369 120.200 120.570 -0.002 0.000 2.286 104 I HA 0.042 4.212 4.170 -0.000 0.000 0.248 104 I C 2.255 178.364 176.117 -0.013 0.000 1.115 104 I CA 1.429 62.724 61.300 -0.008 0.000 1.392 104 I CB -1.064 36.928 38.000 -0.014 0.000 1.065 104 I HN 0.240 nan 8.210 nan 0.000 0.418 105 G N 1.363 110.154 108.800 -0.015 0.000 2.433 105 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 105 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 105 G C 1.583 176.472 174.900 -0.018 0.000 1.186 105 G CA 1.582 46.671 45.100 -0.018 0.000 0.779 105 G HN 0.435 nan 8.290 nan 0.000 0.543 106 T N 1.796 116.340 114.554 -0.015 0.000 2.759 106 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 106 T C 2.778 177.472 174.700 -0.010 0.000 1.042 106 T CA 1.564 63.655 62.100 -0.015 0.000 1.140 106 T CB -0.391 68.470 68.868 -0.011 0.000 0.864 106 T HN 0.392 nan 8.240 nan 0.000 0.455 107 A N 1.096 123.914 122.820 -0.004 0.000 1.877 107 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 107 A C 2.610 180.187 177.584 -0.012 0.000 1.186 107 A CA 1.440 53.475 52.037 -0.004 0.000 0.620 107 A CB -1.095 17.903 19.000 -0.004 0.000 0.822 107 A HN 0.354 nan 8.150 nan 0.000 0.443 108 V N 0.359 120.263 119.914 -0.017 0.000 2.343 108 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 108 V C 2.570 178.652 176.094 -0.020 0.000 1.051 108 V CA 2.144 64.432 62.300 -0.021 0.000 1.036 108 V CB -0.716 31.092 31.823 -0.025 0.000 0.654 108 V HN 0.532 nan 8.190 nan 0.000 0.451 109 E N 0.483 120.671 120.200 -0.019 0.000 2.077 109 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 109 E C 2.335 178.927 176.600 -0.013 0.000 0.989 109 E CA 1.551 57.939 56.400 -0.020 0.000 0.800 109 E CB -0.578 29.108 29.700 -0.023 0.000 0.746 109 E HN 0.629 nan 8.360 nan 0.000 0.452 110 G N 1.296 110.091 108.800 -0.009 0.000 2.394 110 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 110 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 110 G C 1.604 176.518 174.900 0.024 0.000 1.165 110 G CA 0.472 45.574 45.100 0.003 0.000 0.784 110 G HN 0.195 nan 8.290 nan 0.000 0.535 111 L N 0.625 121.855 121.223 0.013 0.000 2.046 111 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 111 L C 2.663 179.565 176.870 0.053 0.000 1.077 111 L CA 1.351 56.210 54.840 0.032 0.000 0.747 111 L CB -0.544 41.514 42.059 -0.001 0.000 0.896 111 L HN 0.201 nan 8.230 nan 0.000 0.432 112 L N -0.889 120.338 121.223 0.006 0.000 2.056 112 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 112 L C 2.264 179.123 176.870 -0.018 0.000 1.078 112 L CA 1.197 56.022 54.840 -0.026 0.000 0.749 112 L CB -0.833 41.201 42.059 -0.042 0.000 0.901 112 L HN 0.273 nan 8.230 nan 0.000 0.433 113 D N -0.605 119.800 120.400 0.008 0.000 2.133 113 D HA -0.274 4.366 4.640 -0.000 0.000 0.195 113 D C 1.875 178.192 176.300 0.028 0.000 0.997 113 D CA 1.589 55.595 54.000 0.010 0.000 0.840 113 D CB -0.238 40.576 40.800 0.024 0.000 0.947 113 D HN 0.340 nan 8.370 nan 0.000 0.452 114 Y N 1.196 121.463 120.300 -0.054 0.000 2.163 114 Y HA -0.093 4.457 4.550 -0.000 0.000 0.288 114 Y C 2.269 178.128 175.900 -0.069 0.000 1.136 114 Y CA 1.038 59.106 58.100 -0.053 0.000 1.147 114 Y CB -0.388 38.043 38.460 -0.048 0.000 0.987 114 Y HN -0.113 nan 8.280 nan 0.000 0.509 115 I N -0.175 120.312 120.570 -0.137 0.000 2.142 115 I HA -0.353 3.817 4.170 -0.000 0.000 0.240 115 I C 2.307 178.249 176.117 -0.291 0.000 1.078 115 I CA 1.568 62.715 61.300 -0.256 0.000 1.343 115 I CB -0.570 37.321 38.000 -0.182 0.000 1.046 115 I HN 0.223 nan 8.210 nan 0.000 0.405 116 L N 0.122 121.219 121.223 -0.210 0.000 2.127 116 L HA -0.194 4.145 4.340 -0.000 0.000 0.211 116 L C 2.573 179.342 176.870 -0.167 0.000 1.089 116 L CA 1.086 55.818 54.840 -0.181 0.000 0.757 116 L CB -0.679 41.306 42.059 -0.124 0.000 0.899 116 L HN 0.267 nan 8.230 nan 0.000 0.434 117 E N 0.075 120.167 120.200 -0.180 0.000 2.150 117 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 117 E C 2.026 178.513 176.600 -0.189 0.000 0.985 117 E CA 0.855 57.160 56.400 -0.158 0.000 0.814 117 E CB -0.010 29.607 29.700 -0.139 0.000 0.752 117 E HN 0.487 nan 8.360 nan 0.000 0.466 118 E N 0.475 120.502 120.200 -0.289 0.000 2.385 118 E HA 0.041 4.390 4.350 -0.000 0.000 0.194 118 E C 0.075 176.581 176.600 -0.156 0.000 1.013 118 E CA 0.242 56.489 56.400 -0.255 0.000 0.866 118 E CB 0.176 29.636 29.700 -0.400 0.000 0.832 118 E HN 0.147 nan 8.360 nan 0.000 0.500 119 N N 1.437 120.037 118.700 -0.167 0.000 2.640 119 N HA 0.025 4.765 4.740 -0.000 0.000 0.262 119 N C 0.266 175.711 175.510 -0.107 0.000 1.174 119 N CA 0.041 53.022 53.050 -0.116 0.000 0.791 119 N CB 1.258 39.640 38.487 -0.175 0.000 1.279 119 N HN 0.188 nan 8.380 nan 0.000 0.535 120 E N 0.302 120.467 120.200 -0.059 0.000 2.502 120 E HA -0.099 4.250 4.350 -0.000 0.000 0.194 120 E C 0.171 176.760 176.600 -0.018 0.000 1.062 120 E CA 0.541 56.913 56.400 -0.046 0.000 0.867 120 E CB 0.054 29.735 29.700 -0.032 0.000 0.888 120 E HN 0.353 nan 8.360 nan 0.000 0.510 121 D N 1.296 121.702 120.400 0.010 0.000 2.333 121 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 121 D C 0.920 177.251 176.300 0.052 0.000 0.984 121 D CA -0.116 53.920 54.000 0.060 0.000 0.873 121 D CB -0.219 40.668 40.800 0.144 0.000 0.935 121 D HN 0.242 nan 8.370 nan 0.000 0.521 122 I N 1.002 121.558 120.570 -0.024 0.000 2.598 122 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 122 I C 1.602 177.695 176.117 -0.040 0.000 1.140 122 I CA 1.022 62.281 61.300 -0.068 0.000 1.420 122 I CB 0.644 38.492 38.000 -0.252 0.000 1.387 122 I HN 0.292 nan 8.210 nan 0.000 0.553 123 G N 3.927 112.725 108.800 -0.003 0.000 2.159 123 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.256 123 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.256 123 G C 0.383 175.290 174.900 0.012 0.000 0.977 123 G CA 0.321 45.420 45.100 -0.001 0.000 0.652 123 G HN 0.491 nan 8.290 nan 0.000 0.531 124 V N -0.552 119.379 119.914 0.028 0.000 3.442 124 V HA 0.217 4.337 4.120 -0.000 0.000 0.205 124 V C 2.261 178.385 176.094 0.050 0.000 1.320 124 V CA 2.252 64.570 62.300 0.030 0.000 1.306 124 V CB 0.246 32.081 31.823 0.020 0.000 1.267 124 V HN 0.739 nan 8.190 nan 0.000 0.538 125 T N -3.276 111.323 114.554 0.074 0.000 3.023 125 T HA 0.248 4.597 4.350 -0.000 0.000 0.253 125 T C 0.559 175.359 174.700 0.165 0.000 1.038 125 T CA 0.781 62.940 62.100 0.099 0.000 0.962 125 T CB 0.716 69.636 68.868 0.087 0.000 1.018 125 T HN 0.371 nan 8.240 nan 0.000 0.521 126 T N -0.288 114.374 114.554 0.180 0.000 2.669 126 T HA 0.666 5.016 4.350 -0.000 0.000 0.283 126 T C 0.369 175.173 174.700 0.174 0.000 1.019 126 T CA -0.021 62.223 62.100 0.240 0.000 1.039 126 T CB 1.169 70.255 68.868 0.364 0.000 1.374 126 T HN 0.301 nan 8.240 nan 0.000 0.523 127 G N 0.579 109.507 108.800 0.214 0.000 2.516 127 G HA2 0.461 4.421 3.960 -0.000 0.000 0.276 127 G HA3 0.461 4.421 3.960 -0.000 0.000 0.276 127 G C 0.427 175.405 174.900 0.131 0.000 1.390 127 G CA 0.052 45.247 45.100 0.159 0.000 1.050 127 G HN 0.718 nan 8.290 nan 0.000 0.519 128 S N -2.594 113.165 115.700 0.098 0.000 2.549 128 S HA 0.491 4.961 4.470 -0.000 0.000 0.260 128 S C -0.318 174.313 174.600 0.051 0.000 1.217 128 S CA 0.047 58.270 58.200 0.037 0.000 1.001 128 S CB 0.952 64.170 63.200 0.029 0.000 1.059 128 S HN 1.169 nan 8.310 nan 0.000 0.537 129 V N 1.323 121.230 119.914 -0.012 0.000 2.971 129 V HA 0.548 4.668 4.120 -0.000 0.000 0.309 129 V C -1.455 174.645 176.094 0.010 0.000 1.130 129 V CA -0.824 61.472 62.300 -0.006 0.000 0.964 129 V CB 2.061 33.724 31.823 -0.268 0.000 1.029 129 V HN 0.941 nan 8.190 nan 0.000 0.427 130 N N 6.617 125.346 118.700 0.048 0.000 2.801 130 N HA 0.501 5.241 4.740 -0.000 0.000 0.235 130 N C -2.575 172.926 175.510 -0.016 0.000 1.069 130 N CA -1.772 51.284 53.050 0.010 0.000 0.946 130 N CB 1.141 39.636 38.487 0.013 0.000 1.212 130 N HN 0.557 nan 8.380 nan 0.000 0.509 131 P HA 0.028 nan 4.420 nan 0.000 0.268 131 P C -0.898 176.371 177.300 -0.053 0.000 1.204 131 P CA -0.416 62.661 63.100 -0.039 0.000 0.768 131 P CB 1.131 32.808 31.700 -0.038 0.000 0.842 132 L N 5.236 126.422 121.223 -0.062 0.000 2.294 132 L HA 0.396 4.736 4.340 -0.000 0.000 0.283 132 L C -0.939 175.890 176.870 -0.069 0.000 1.015 132 L CA -0.465 54.327 54.840 -0.079 0.000 0.831 132 L CB 1.224 43.224 42.059 -0.097 0.000 1.217 132 L HN 0.088 nan 8.230 nan 0.000 0.420 133 V N 6.282 126.158 119.914 -0.064 0.000 2.577 133 V HA 0.576 4.696 4.120 -0.000 0.000 0.303 133 V C -0.491 175.575 176.094 -0.047 0.000 1.042 133 V CA -0.513 61.758 62.300 -0.048 0.000 0.872 133 V CB 1.785 33.585 31.823 -0.037 0.000 0.998 133 V HN 0.562 nan 8.190 nan 0.000 0.423 134 L N 4.112 125.313 121.223 -0.036 0.000 2.283 134 L HA 0.955 5.295 4.340 -0.000 0.000 0.259 134 L C -0.319 176.546 176.870 -0.008 0.000 1.027 134 L CA -0.370 54.453 54.840 -0.028 0.000 0.828 134 L CB 2.173 44.214 42.059 -0.030 0.000 1.380 134 L HN 0.874 nan 8.230 nan 0.000 0.425 135 E N -0.854 119.347 120.200 0.002 0.000 2.435 135 E HA 0.781 5.131 4.350 -0.000 0.000 0.272 135 E C -1.630 174.990 176.600 0.033 0.000 1.031 135 E CA -0.721 55.690 56.400 0.018 0.000 0.872 135 E CB 1.407 31.118 29.700 0.019 0.000 1.588 135 E HN 0.433 nan 8.360 nan 0.000 0.460 136 C N 0.363 119.690 119.300 0.045 0.000 3.086 136 C HA 0.615 5.075 4.460 -0.000 0.000 0.311 136 C C -1.238 173.791 174.990 0.065 0.000 1.260 136 C CA -0.855 58.198 59.018 0.059 0.000 1.426 136 C CB 1.821 29.597 27.740 0.060 0.000 1.826 136 C HN 0.770 nan 8.230 nan 0.000 0.474 137 N N 1.516 120.263 118.700 0.077 0.000 2.420 137 N HA 0.233 4.973 4.740 -0.000 0.000 0.249 137 N C -0.181 175.379 175.510 0.084 0.000 1.033 137 N CA -0.039 53.060 53.050 0.082 0.000 0.944 137 N CB 0.814 39.358 38.487 0.096 0.000 1.113 137 N HN 0.764 nan 8.380 nan 0.000 0.502 138 D N 0.692 121.142 120.400 0.084 0.000 2.491 138 D HA -0.002 4.638 4.640 -0.000 0.000 0.228 138 D C 1.192 177.561 176.300 0.115 0.000 1.183 138 D CA -0.219 53.838 54.000 0.095 0.000 0.827 138 D CB -0.231 40.615 40.800 0.076 0.000 0.989 138 D HN 0.369 nan 8.370 nan 0.000 0.494 139 S N -0.620 115.153 115.700 0.121 0.000 2.419 139 S HA -0.313 4.157 4.470 -0.000 0.000 0.235 139 S C 1.870 176.572 174.600 0.170 0.000 1.019 139 S CA 0.375 58.651 58.200 0.126 0.000 0.982 139 S CB -0.863 62.407 63.200 0.117 0.000 0.789 139 S HN 0.380 nan 8.310 nan 0.000 0.490 140 Y N 1.788 122.137 120.300 0.081 0.000 2.224 140 Y HA 0.071 4.621 4.550 -0.000 0.000 0.289 140 Y C 1.901 177.922 175.900 0.201 0.000 1.146 140 Y CA 1.475 59.649 58.100 0.124 0.000 1.182 140 Y CB -0.132 38.343 38.460 0.026 0.000 0.983 140 Y HN 0.271 nan 8.280 nan 0.000 0.524 141 L N -1.131 120.173 121.223 0.136 0.000 2.537 141 L HA 0.137 4.477 4.340 -0.000 0.000 0.224 141 L C 0.130 177.007 176.870 0.013 0.000 1.065 141 L CA 0.087 54.953 54.840 0.043 0.000 0.860 141 L CB -0.002 42.109 42.059 0.087 0.000 1.086 141 L HN 0.047 nan 8.230 nan 0.000 0.482 142 N N -0.195 118.533 118.700 0.046 0.000 2.384 142 N HA 0.074 4.814 4.740 -0.000 0.000 0.301 142 N C -0.625 174.920 175.510 0.059 0.000 1.133 142 N CA -0.517 52.559 53.050 0.043 0.000 0.853 142 N CB 1.364 39.890 38.487 0.065 0.000 1.241 142 N HN -0.110 nan 8.380 nan 0.000 0.502 143 D N 3.226 123.675 120.400 0.082 0.000 2.545 143 D HA 0.040 4.680 4.640 -0.000 0.000 0.227 143 D C 1.162 177.554 176.300 0.153 0.000 1.150 143 D CA 0.026 54.099 54.000 0.122 0.000 1.046 143 D CB -0.695 40.219 40.800 0.190 0.000 1.098 143 D HN 0.632 nan 8.370 nan 0.000 0.502 144 I N 2.053 122.679 120.570 0.094 0.000 2.335 144 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 144 I C 1.987 178.117 176.117 0.022 0.000 1.129 144 I CA 0.853 62.194 61.300 0.068 0.000 1.402 144 I CB 0.156 38.194 38.000 0.064 0.000 1.069 144 I HN 0.273 nan 8.210 nan 0.000 0.424 145 R N 0.167 120.677 120.500 0.018 0.000 2.193 145 R HA -0.105 4.235 4.340 -0.000 0.000 0.229 145 R C 2.146 178.401 176.300 -0.074 0.000 1.110 145 R CA 1.097 57.189 56.100 -0.014 0.000 0.988 145 R CB -0.550 29.751 30.300 0.001 0.000 0.871 145 R HN 0.481 nan 8.270 nan 0.000 0.458 146 G N 0.397 109.124 108.800 -0.122 0.000 2.534 146 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 146 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 146 G C 0.185 174.717 174.900 -0.613 0.000 1.128 146 G CA -0.301 44.549 45.100 -0.416 0.000 0.784 146 G HN 0.254 nan 8.290 nan 0.000 0.542 147 R N -0.038 120.256 120.500 -0.343 0.000 3.127 147 R HA -0.165 4.175 4.340 -0.000 0.000 0.247 147 R C 0.289 176.443 176.300 -0.243 0.000 0.896 147 R CA 0.360 56.339 56.100 -0.202 0.000 0.624 147 R CB -1.571 28.653 30.300 -0.127 0.000 1.154 147 R HN 0.541 nan 8.270 nan 0.000 0.474 148 H N -1.049 118.047 119.070 0.043 0.000 2.551 148 H HA 0.047 4.603 4.556 -0.000 0.000 0.266 148 H C 0.953 176.358 175.328 0.129 0.000 0.977 148 H CA 0.556 56.644 56.048 0.067 0.000 1.163 148 H CB 0.487 30.282 29.762 0.055 0.000 1.381 148 H HN 0.037 nan 8.280 nan 0.000 0.581 149 V N 2.586 122.616 119.914 0.192 0.000 2.572 149 V HA 0.024 4.144 4.120 -0.000 0.000 0.291 149 V C 0.548 176.727 176.094 0.142 0.000 1.039 149 V CA 0.123 62.580 62.300 0.261 0.000 1.055 149 V CB 1.041 32.956 31.823 0.153 0.000 0.969 149 V HN 0.171 nan 8.190 nan 0.000 0.482 150 K N 3.801 124.226 120.400 0.042 0.000 2.208 150 K HA 0.428 4.748 4.320 -0.000 0.000 0.247 150 K C 1.213 177.690 176.600 -0.205 0.000 0.953 150 K CA -0.876 55.235 56.287 -0.294 0.000 0.837 150 K CB 1.826 33.894 32.500 -0.719 0.000 1.131 150 K HN 0.634 nan 8.250 nan 0.000 0.431 151 R N 0.772 121.193 120.500 -0.133 0.000 2.127 151 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 151 R C 0.573 176.836 176.300 -0.061 0.000 1.134 151 R CA 1.601 57.661 56.100 -0.068 0.000 0.975 151 R CB -0.236 30.033 30.300 -0.051 0.000 0.865 151 R HN 0.524 nan 8.270 nan 0.000 0.447 152 E N 0.762 120.889 120.200 -0.123 0.000 2.204 152 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 152 E C 1.695 178.312 176.600 0.028 0.000 0.989 152 E CA 1.287 57.651 56.400 -0.060 0.000 0.824 152 E CB -0.311 29.341 29.700 -0.081 0.000 0.756 152 E HN 0.657 nan 8.360 nan 0.000 0.477 153 H N -0.679 118.393 119.070 0.002 0.000 2.387 153 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 153 H C 1.915 177.234 175.328 -0.015 0.000 1.090 153 H CA 0.974 57.022 56.048 0.001 0.000 1.332 153 H CB 0.198 29.966 29.762 0.011 0.000 1.386 153 H HN -0.008 nan 8.280 nan 0.000 0.516 154 V N 0.460 120.435 119.914 0.101 0.000 2.295 154 V HA -0.232 3.887 4.120 -0.000 0.000 0.246 154 V C 2.433 178.504 176.094 -0.037 0.000 1.049 154 V CA 1.458 63.770 62.300 0.020 0.000 1.024 154 V CB -0.374 31.452 31.823 0.004 0.000 0.648 154 V HN 0.259 nan 8.190 nan 0.000 0.447 155 V N 0.003 119.906 119.914 -0.018 0.000 2.343 155 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 155 V C 2.536 178.590 176.094 -0.066 0.000 1.051 155 V CA 2.219 64.490 62.300 -0.048 0.000 1.036 155 V CB -0.655 31.191 31.823 0.037 0.000 0.654 155 V HN 0.594 nan 8.190 nan 0.000 0.451 156 E N 0.952 121.149 120.200 -0.004 0.000 2.051 156 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 156 E C 2.175 178.755 176.600 -0.034 0.000 0.991 156 E CA 1.746 58.148 56.400 0.003 0.000 0.799 156 E CB -0.586 29.147 29.700 0.056 0.000 0.748 156 E HN 0.490 nan 8.360 nan 0.000 0.449 157 A N 0.550 123.348 122.820 -0.037 0.000 1.908 157 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 157 A C 2.401 179.907 177.584 -0.131 0.000 1.181 157 A CA 1.728 53.727 52.037 -0.064 0.000 0.627 157 A CB -0.821 18.152 19.000 -0.045 0.000 0.818 157 A HN 0.374 nan 8.150 nan 0.000 0.445 158 I N -0.584 119.867 120.570 -0.198 0.000 2.179 158 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 158 I C 2.313 178.287 176.117 -0.238 0.000 1.088 158 I CA 1.667 62.781 61.300 -0.310 0.000 1.357 158 I CB -0.253 37.367 38.000 -0.633 0.000 1.051 158 I HN 0.282 nan 8.210 nan 0.000 0.409 159 K N 0.374 120.668 120.400 -0.176 0.000 2.362 159 K HA -0.065 4.255 4.320 -0.000 0.000 0.200 159 K C 2.014 178.585 176.600 -0.048 0.000 1.046 159 K CA 0.753 56.992 56.287 -0.079 0.000 0.952 159 K CB -0.029 32.454 32.500 -0.027 0.000 0.753 159 K HN 0.328 nan 8.250 nan 0.000 0.466 160 R N 0.551 121.015 120.500 -0.060 0.000 2.246 160 R HA 0.148 4.488 4.340 -0.000 0.000 0.199 160 R C 0.448 176.717 176.300 -0.052 0.000 0.984 160 R CA -0.063 56.014 56.100 -0.039 0.000 1.015 160 R CB 0.220 30.502 30.300 -0.029 0.000 0.930 160 R HN 0.011 nan 8.270 nan 0.000 0.475 161 A N 2.173 124.941 122.820 -0.087 0.000 2.566 161 A HA -0.026 4.294 4.320 -0.000 0.000 0.245 161 A C -0.359 177.206 177.584 -0.031 0.000 1.056 161 A CA 0.467 52.449 52.037 -0.092 0.000 0.757 161 A CB -0.043 18.887 19.000 -0.117 0.000 0.979 161 A HN 0.256 nan 8.150 nan 0.000 0.508 162 D N 0.560 120.962 120.400 0.003 0.000 2.744 162 D HA 0.478 5.117 4.640 -0.000 0.000 0.304 162 D C 0.754 177.113 176.300 0.098 0.000 1.179 162 D CA -0.459 53.568 54.000 0.046 0.000 1.024 162 D CB 0.849 41.678 40.800 0.049 0.000 1.453 162 D HN 0.312 nan 8.370 nan 0.000 0.529 163 E N -0.368 119.889 120.200 0.095 0.000 2.072 163 E HA 0.075 4.425 4.350 -0.000 0.000 0.190 163 E C -0.355 176.332 176.600 0.146 0.000 0.982 163 E CA 0.830 57.300 56.400 0.116 0.000 0.803 163 E CB 0.021 29.762 29.700 0.070 0.000 0.755 163 E HN 0.314 nan 8.360 nan 0.000 0.453 164 D N -0.687 119.768 120.400 0.092 0.000 2.193 164 D HA 0.317 4.957 4.640 -0.000 0.000 0.244 164 D C -1.138 175.220 176.300 0.096 0.000 1.064 164 D CA -0.675 53.329 54.000 0.008 0.000 0.845 164 D CB 0.488 41.274 40.800 -0.024 0.000 1.148 164 D HN -0.078 nan 8.370 nan 0.000 0.464 165 F N 0.498 120.464 119.950 0.027 0.000 2.613 165 F HA 0.541 5.067 4.527 -0.000 0.000 0.310 165 F C -0.166 175.701 175.800 0.112 0.000 1.085 165 F CA -1.286 56.743 58.000 0.049 0.000 0.945 165 F CB 0.882 39.876 39.000 -0.010 0.000 1.298 165 F HN 0.195 nan 8.300 nan 0.000 0.455 166 E N 1.283 121.689 120.200 0.344 0.000 2.374 166 E HA 0.317 4.667 4.350 -0.000 0.000 0.260 166 E C -0.854 175.936 176.600 0.317 0.000 1.101 166 E CA -0.249 56.276 56.400 0.207 0.000 0.907 166 E CB 0.990 30.788 29.700 0.163 0.000 1.014 166 E HN 0.820 nan 8.360 nan 0.000 0.427 167 E N 0.079 120.366 120.200 0.146 0.000 2.370 167 E HA 0.566 4.916 4.350 -0.000 0.000 0.259 167 E C -0.049 176.584 176.600 0.055 0.000 0.947 167 E CA -0.428 56.064 56.400 0.153 0.000 0.809 167 E CB 1.740 31.517 29.700 0.128 0.000 1.300 167 E HN 0.753 nan 8.360 nan 0.000 0.419 168 G N 0.561 109.390 108.800 0.048 0.000 2.496 168 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.243 168 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.243 168 G C -0.274 174.622 174.900 -0.006 0.000 1.176 168 G CA -0.261 44.852 45.100 0.022 0.000 0.940 168 G HN 0.752 nan 8.290 nan 0.000 0.573 169 A N 0.519 123.333 122.820 -0.010 0.000 3.077 169 A HA 0.651 4.971 4.320 -0.000 0.000 0.255 169 A C 0.690 178.239 177.584 -0.058 0.000 1.728 169 A CA 1.046 53.070 52.037 -0.021 0.000 1.383 169 A CB -1.290 17.709 19.000 -0.000 0.000 1.097 169 A HN 2.281 nan 8.150 nan 0.000 0.634 170 V N -2.793 117.046 119.914 -0.125 0.000 3.141 170 V HA 0.968 5.088 4.120 -0.000 0.000 0.312 170 V C 0.907 176.818 176.094 -0.306 0.000 1.157 170 V CA -0.184 61.994 62.300 -0.203 0.000 1.041 170 V CB 0.727 32.395 31.823 -0.258 0.000 1.071 170 V HN 1.856 nan 8.190 nan 0.000 0.441 171 G N 1.440 110.092 108.800 -0.246 0.000 2.651 171 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.315 171 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.315 171 G C 1.181 176.048 174.900 -0.055 0.000 1.258 171 G CA 1.649 46.681 45.100 -0.114 0.000 1.002 171 G HN 2.329 nan 8.290 nan 0.000 0.551 172 A N -0.202 122.611 122.820 -0.012 0.000 2.121 172 A HA 0.379 4.699 4.320 -0.000 0.000 0.218 172 A C 2.591 180.174 177.584 -0.001 0.000 1.154 172 A CA 2.174 54.216 52.037 0.008 0.000 0.679 172 A CB -0.647 18.370 19.000 0.029 0.000 0.795 172 A HN 2.048 nan 8.150 nan 0.000 0.458 173 G N -1.789 106.991 108.800 -0.034 0.000 3.042 173 G HA2 0.131 4.091 3.960 -0.000 0.000 0.212 173 G HA3 0.131 4.091 3.960 -0.000 0.000 0.212 173 G C 1.217 176.108 174.900 -0.015 0.000 1.166 173 G CA 0.999 46.090 45.100 -0.015 0.000 0.767 173 G HN 0.357 nan 8.290 nan 0.000 0.546 174 T N 0.952 115.487 114.554 -0.031 0.000 2.592 174 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 174 T C 2.075 176.779 174.700 0.007 0.000 1.060 174 T CA 1.717 63.804 62.100 -0.021 0.000 1.167 174 T CB -0.249 68.602 68.868 -0.027 0.000 0.863 174 T HN 0.330 nan 8.240 nan 0.000 0.431 175 G N 0.864 109.678 108.800 0.023 0.000 3.707 175 G HA2 0.390 4.350 3.960 -0.000 0.000 0.286 175 G HA3 0.390 4.350 3.960 -0.000 0.000 0.286 175 G C 0.158 175.099 174.900 0.069 0.000 1.112 175 G CA -0.397 44.730 45.100 0.046 0.000 0.861 175 G HN 0.181 nan 8.290 nan 0.000 0.534 176 M N 0.897 120.531 119.600 0.056 0.000 2.255 176 M HA 0.428 4.908 4.480 -0.000 0.000 0.336 176 M C -0.072 176.263 176.300 0.057 0.000 1.135 176 M CA -0.065 55.270 55.300 0.058 0.000 1.145 176 M CB 1.112 33.740 32.600 0.047 0.000 1.473 176 M HN -0.079 nan 8.290 nan 0.000 0.462 177 S N 1.127 116.844 115.700 0.030 0.000 2.521 177 S HA 0.865 5.335 4.470 -0.000 0.000 0.295 177 S C -0.885 173.654 174.600 -0.103 0.000 1.098 177 S CA -0.851 57.341 58.200 -0.012 0.000 0.999 177 S CB 1.974 65.140 63.200 -0.057 0.000 1.034 177 S HN 0.744 nan 8.310 nan 0.000 0.483 178 A N 1.529 124.275 122.820 -0.123 0.000 2.408 178 A HA 0.769 5.089 4.320 -0.000 0.000 0.295 178 A C -0.557 176.895 177.584 -0.220 0.000 1.040 178 A CA -0.717 51.088 52.037 -0.387 0.000 0.707 178 A CB -0.053 18.713 19.000 -0.389 0.000 1.235 178 A HN 0.924 nan 8.150 nan 0.000 0.418 179 F N 0.428 120.244 119.950 -0.223 0.000 3.084 179 F HA -0.253 4.274 4.527 -0.000 0.000 0.286 179 F C 0.957 176.628 175.800 -0.215 0.000 0.855 179 F CA 1.550 59.468 58.000 -0.136 0.000 1.091 179 F CB -2.304 36.688 39.000 -0.014 0.000 1.177 179 F HN 0.925 nan 8.300 nan 0.000 0.542 180 E N -3.745 116.365 120.200 -0.148 0.000 2.971 180 E HA -0.260 4.090 4.350 -0.000 0.000 0.278 180 E C 0.162 176.603 176.600 -0.265 0.000 1.009 180 E CA 1.035 57.281 56.400 -0.257 0.000 0.862 180 E CB -1.283 28.237 29.700 -0.300 0.000 1.436 180 E HN 0.442 nan 8.360 nan 0.000 0.434 181 F N 0.121 120.103 119.950 0.055 0.000 2.631 181 F HA 0.493 5.020 4.527 -0.000 0.000 0.350 181 F C 0.667 176.502 175.800 0.060 0.000 1.080 181 F CA -1.129 56.927 58.000 0.094 0.000 1.026 181 F CB 0.635 39.686 39.000 0.085 0.000 1.347 181 F HN -0.335 nan 8.300 nan 0.000 0.501 182 K N 0.668 121.257 120.400 0.314 0.000 2.349 182 K HA 0.506 4.826 4.320 -0.000 0.000 0.288 182 K C -0.057 176.618 176.600 0.125 0.000 1.058 182 K CA 0.098 56.485 56.287 0.167 0.000 0.953 182 K CB 0.313 32.890 32.500 0.129 0.000 0.997 182 K HN 0.701 nan 8.250 nan 0.000 0.477 183 G N 1.250 110.100 108.800 0.083 0.000 2.795 183 G HA2 0.756 4.716 3.960 -0.000 0.000 0.267 183 G HA3 0.756 4.716 3.960 -0.000 0.000 0.267 183 G C -0.147 174.784 174.900 0.053 0.000 1.362 183 G CA -0.335 44.801 45.100 0.060 0.000 1.048 183 G HN 0.884 nan 8.290 nan 0.000 0.547 184 G N -1.626 107.207 108.800 0.055 0.000 2.366 184 G HA2 0.195 4.155 3.960 -0.000 0.000 0.190 184 G HA3 0.195 4.155 3.960 -0.000 0.000 0.190 184 G C -1.201 173.733 174.900 0.056 0.000 1.299 184 G CA -0.607 44.519 45.100 0.042 0.000 1.056 184 G HN 0.622 nan 8.290 nan 0.000 0.468 185 I N 2.549 123.144 120.570 0.041 0.000 2.371 185 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 185 I C 0.965 177.157 176.117 0.126 0.000 1.028 185 I CA 0.359 61.707 61.300 0.080 0.000 1.345 185 I CB 0.253 38.289 38.000 0.061 0.000 1.407 185 I HN 0.847 nan 8.210 nan 0.000 0.501 186 G N 3.603 112.492 108.800 0.148 0.000 2.571 186 G HA2 0.586 4.546 3.960 -0.000 0.000 0.304 186 G HA3 0.586 4.546 3.960 -0.000 0.000 0.304 186 G C -1.341 173.674 174.900 0.191 0.000 1.314 186 G CA -0.354 44.838 45.100 0.154 0.000 0.975 186 G HN 0.531 nan 8.290 nan 0.000 0.485 187 S N -1.122 114.693 115.700 0.192 0.000 2.579 187 S HA 0.922 5.392 4.470 -0.000 0.000 0.272 187 S C -0.665 174.016 174.600 0.134 0.000 1.141 187 S CA 0.279 58.608 58.200 0.215 0.000 0.843 187 S CB 1.730 65.189 63.200 0.431 0.000 1.122 187 S HN 2.107 nan 8.310 nan 0.000 0.468 188 A N 1.410 124.302 122.820 0.120 0.000 2.566 188 A HA 0.873 5.193 4.320 -0.000 0.000 0.290 188 A C -0.859 176.770 177.584 0.074 0.000 1.071 188 A CA -0.147 51.938 52.037 0.080 0.000 0.658 188 A CB 0.920 19.960 19.000 0.067 0.000 1.285 188 A HN 1.770 nan 8.150 nan 0.000 0.427 189 S N 0.054 115.788 115.700 0.058 0.000 2.638 189 S HA 0.960 5.430 4.470 -0.000 0.000 0.274 189 S C -1.270 173.357 174.600 0.044 0.000 1.157 189 S CA -0.935 57.292 58.200 0.046 0.000 0.826 189 S CB 1.855 65.081 63.200 0.044 0.000 1.139 189 S HN 0.935 nan 8.310 nan 0.000 0.474 190 R N 0.259 120.775 120.500 0.027 0.000 2.668 190 R HA 0.547 4.887 4.340 -0.000 0.000 0.272 190 R C -1.532 174.749 176.300 -0.032 0.000 1.019 190 R CA -0.659 55.456 56.100 0.026 0.000 0.894 190 R CB 1.527 31.858 30.300 0.051 0.000 1.228 190 R HN 0.708 nan 8.270 nan 0.000 0.460 191 I N 2.637 123.186 120.570 -0.035 0.000 2.441 191 I HA 0.465 4.635 4.170 -0.000 0.000 0.295 191 I C 0.267 176.275 176.117 -0.181 0.000 0.994 191 I CA -0.869 60.388 61.300 -0.071 0.000 1.144 191 I CB 1.741 39.727 38.000 -0.023 0.000 1.314 191 I HN 0.372 nan 8.210 nan 0.000 0.445 192 V N 2.476 122.262 119.914 -0.215 0.000 2.925 192 V HA 0.610 4.730 4.120 -0.000 0.000 0.311 192 V C -0.695 175.324 176.094 -0.124 0.000 1.104 192 V CA -0.749 61.366 62.300 -0.309 0.000 0.954 192 V CB 2.291 33.789 31.823 -0.542 0.000 1.022 192 V HN 0.848 nan 8.190 nan 0.000 0.427 193 E N 3.143 123.299 120.200 -0.073 0.000 2.133 193 E HA 0.665 5.015 4.350 -0.000 0.000 0.274 193 E C -1.372 175.225 176.600 -0.005 0.000 0.930 193 E CA -0.761 55.606 56.400 -0.055 0.000 0.770 193 E CB 1.607 31.287 29.700 -0.032 0.000 1.104 193 E HN 0.806 nan 8.360 nan 0.000 0.403 194 I N 4.449 125.033 120.570 0.024 0.000 2.439 194 I HA 0.149 4.319 4.170 -0.000 0.000 0.283 194 I C -0.477 175.679 176.117 0.064 0.000 1.023 194 I CA -0.637 60.712 61.300 0.082 0.000 1.100 194 I CB 1.677 39.788 38.000 0.185 0.000 1.238 194 I HN 0.579 nan 8.210 nan 0.000 0.445 195 E N 5.080 125.298 120.200 0.031 0.000 2.230 195 E HA -0.254 4.095 4.350 -0.000 0.000 0.206 195 E C 1.062 177.660 176.600 -0.003 0.000 1.309 195 E CA 1.120 57.531 56.400 0.019 0.000 0.697 195 E CB -1.213 28.506 29.700 0.031 0.000 1.146 195 E HN 1.198 nan 8.360 nan 0.000 0.363 196 G N -0.829 107.957 108.800 -0.023 0.000 2.396 196 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.242 196 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.242 196 G C 0.337 175.176 174.900 -0.102 0.000 1.069 196 G CA 0.777 45.849 45.100 -0.048 0.000 0.633 196 G HN 0.226 nan 8.290 nan 0.000 0.517 197 K N 1.268 121.574 120.400 -0.157 0.000 2.144 197 K HA 0.530 4.850 4.320 -0.000 0.000 0.270 197 K C 0.184 176.464 176.600 -0.532 0.000 1.005 197 K CA -0.318 55.755 56.287 -0.357 0.000 0.932 197 K CB 1.334 33.553 32.500 -0.470 0.000 1.021 197 K HN 0.373 nan 8.250 nan 0.000 0.462 198 K N 2.520 122.604 120.400 -0.526 0.000 2.213 198 K HA 0.317 4.637 4.320 -0.000 0.000 0.270 198 K C -0.804 175.465 176.600 -0.550 0.000 1.002 198 K CA -0.509 55.531 56.287 -0.411 0.000 0.868 198 K CB 0.806 33.183 32.500 -0.206 0.000 1.093 198 K HN 0.340 nan 8.250 nan 0.000 0.454 199 Y N -0.083 120.172 120.300 -0.075 0.000 2.562 199 Y HA 0.349 4.899 4.550 -0.000 0.000 0.343 199 Y C 0.353 176.200 175.900 -0.088 0.000 1.025 199 Y CA -0.855 57.200 58.100 -0.076 0.000 1.082 199 Y CB 2.260 40.667 38.460 -0.088 0.000 1.264 199 Y HN 0.394 nan 8.280 nan 0.000 0.478 200 T N 1.943 116.562 114.554 0.108 0.000 2.856 200 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 200 T C -1.180 173.519 174.700 -0.002 0.000 1.008 200 T CA -0.664 61.452 62.100 0.027 0.000 0.997 200 T CB 1.271 70.154 68.868 0.025 0.000 0.992 200 T HN 0.313 nan 8.240 nan 0.000 0.454 201 V N 2.374 122.271 119.914 -0.028 0.000 2.443 201 V HA 0.748 4.868 4.120 -0.000 0.000 0.293 201 V C 0.478 176.555 176.094 -0.028 0.000 1.021 201 V CA -0.684 61.588 62.300 -0.046 0.000 0.848 201 V CB 1.618 33.410 31.823 -0.052 0.000 0.998 201 V HN 1.047 nan 8.190 nan 0.000 0.424 202 G N 3.006 111.779 108.800 -0.045 0.000 2.432 202 G HA2 0.832 4.792 3.960 -0.000 0.000 0.331 202 G HA3 0.832 4.792 3.960 -0.000 0.000 0.331 202 G C -0.879 174.011 174.900 -0.017 0.000 1.170 202 G CA -0.430 44.664 45.100 -0.009 0.000 0.943 202 G HN 1.125 nan 8.290 nan 0.000 0.483 203 A N 0.842 123.681 122.820 0.033 0.000 2.427 203 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 203 A C -1.279 176.353 177.584 0.079 0.000 1.036 203 A CA -0.529 51.531 52.037 0.037 0.000 0.701 203 A CB 1.650 20.674 19.000 0.040 0.000 1.250 203 A HN 1.173 nan 8.150 nan 0.000 0.412 204 L N 3.710 124.970 121.223 0.062 0.000 2.385 204 L HA 0.868 5.208 4.340 -0.000 0.000 0.273 204 L C -0.897 176.012 176.870 0.065 0.000 0.990 204 L CA -0.772 54.113 54.840 0.075 0.000 0.821 204 L CB 1.925 43.985 42.059 0.002 0.000 1.279 204 L HN 0.865 nan 8.230 nan 0.000 0.412 205 V N 2.642 122.608 119.914 0.088 0.000 2.914 205 V HA 0.646 4.766 4.120 -0.000 0.000 0.314 205 V C -1.295 174.854 176.094 0.091 0.000 1.084 205 V CA -0.863 61.487 62.300 0.084 0.000 0.963 205 V CB 1.969 33.853 31.823 0.102 0.000 1.025 205 V HN 0.721 nan 8.190 nan 0.000 0.432 206 L N 4.109 125.381 121.223 0.083 0.000 2.337 206 L HA 0.679 5.019 4.340 -0.000 0.000 0.269 206 L C 0.341 177.279 176.870 0.113 0.000 1.018 206 L CA 0.068 54.956 54.840 0.081 0.000 0.876 206 L CB 1.053 43.147 42.059 0.058 0.000 1.236 206 L HN 1.056 nan 8.230 nan 0.000 0.436 207 S N 2.440 118.227 115.700 0.145 0.000 2.537 207 S HA 0.558 5.028 4.470 -0.000 0.000 0.275 207 S C 0.184 174.864 174.600 0.132 0.000 1.272 207 S CA -0.486 57.848 58.200 0.224 0.000 1.050 207 S CB 1.088 64.424 63.200 0.227 0.000 0.961 207 S HN 0.675 nan 8.310 nan 0.000 0.496 208 N N 1.221 120.027 118.700 0.176 0.000 2.570 208 N HA 0.260 4.999 4.740 -0.000 0.000 0.261 208 N C -1.210 174.335 175.510 0.060 0.000 1.540 208 N CA -0.501 52.581 53.050 0.052 0.000 0.959 208 N CB 0.175 38.706 38.487 0.074 0.000 1.449 208 N HN 0.686 nan 8.380 nan 0.000 0.519 209 F N -1.029 118.774 119.950 -0.245 0.000 2.706 209 F HA 0.940 5.467 4.527 -0.000 0.000 0.328 209 F C 0.507 175.980 175.800 -0.544 0.000 1.123 209 F CA -0.365 57.459 58.000 -0.292 0.000 0.978 209 F CB 0.761 39.614 39.000 -0.245 0.000 1.404 209 F HN 0.124 nan 8.300 nan 0.000 0.497 210 G N 1.530 110.209 108.800 -0.201 0.000 2.728 210 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.686 210 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.686 210 G C -1.101 173.780 174.900 -0.031 0.000 1.337 210 G CA -0.811 44.176 45.100 -0.188 0.000 0.861 210 G HN 0.928 nan 8.290 nan 0.000 0.597 211 R N 0.807 121.460 120.500 0.256 0.000 2.500 211 R HA 0.482 4.822 4.340 -0.000 0.000 0.275 211 R C 1.665 178.083 176.300 0.196 0.000 1.051 211 R CA -0.399 55.789 56.100 0.147 0.000 1.088 211 R CB 0.693 31.080 30.300 0.146 0.000 1.063 211 R HN 0.634 nan 8.270 nan 0.000 0.511 212 R N 1.814 122.355 120.500 0.067 0.000 2.119 212 R HA -0.232 4.108 4.340 -0.000 0.000 0.246 212 R C 0.985 177.359 176.300 0.122 0.000 1.146 212 R CA 2.074 58.202 56.100 0.046 0.000 0.962 212 R CB -0.198 30.045 30.300 -0.095 0.000 0.863 212 R HN 0.642 nan 8.270 nan 0.000 0.442 213 E N 0.224 120.494 120.200 0.116 0.000 2.268 213 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 213 E C 1.224 177.924 176.600 0.166 0.000 0.995 213 E CA 1.300 57.769 56.400 0.114 0.000 0.836 213 E CB -0.066 29.687 29.700 0.088 0.000 0.763 213 E HN 0.469 nan 8.360 nan 0.000 0.491 214 D N 0.036 120.611 120.400 0.292 0.000 2.277 214 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 214 D C 0.526 176.937 176.300 0.185 0.000 0.962 214 D CA 0.079 54.319 54.000 0.400 0.000 0.865 214 D CB -0.179 40.998 40.800 0.628 0.000 0.939 214 D HN 0.135 nan 8.370 nan 0.000 0.510 215 L N 1.861 123.031 121.223 -0.088 0.000 2.667 215 L HA -0.002 4.338 4.340 -0.000 0.000 0.278 215 L C -0.417 176.255 176.870 -0.330 0.000 1.217 215 L CA 0.804 55.252 54.840 -0.653 0.000 0.935 215 L CB 0.072 41.704 42.059 -0.712 0.000 1.193 215 L HN -0.207 nan 8.230 nan 0.000 0.493 216 T N 7.101 121.463 114.554 -0.320 0.000 2.890 216 T HA 0.559 4.908 4.350 -0.000 0.000 0.295 216 T C -0.234 174.353 174.700 -0.187 0.000 0.993 216 T CA -0.242 61.745 62.100 -0.188 0.000 0.979 216 T CB 0.674 69.485 68.868 -0.096 0.000 0.967 216 T HN 0.423 nan 8.240 nan 0.000 0.441 217 I N 2.330 122.791 120.570 -0.181 0.000 2.382 217 I HA 0.504 4.674 4.170 -0.000 0.000 0.286 217 I C 0.776 176.827 176.117 -0.110 0.000 1.002 217 I CA -0.965 60.248 61.300 -0.145 0.000 1.135 217 I CB 1.442 39.343 38.000 -0.165 0.000 1.288 217 I HN 0.912 nan 8.210 nan 0.000 0.448 218 A N 4.786 127.561 122.820 -0.075 0.000 2.745 218 A HA -0.128 4.192 4.320 -0.000 0.000 0.296 218 A C 1.496 179.045 177.584 -0.059 0.000 1.500 218 A CA 1.044 53.048 52.037 -0.055 0.000 0.766 218 A CB -1.842 17.129 19.000 -0.048 0.000 1.030 218 A HN 1.817 nan 8.150 nan 0.000 0.489 219 G N -3.707 105.052 108.800 -0.067 0.000 2.205 219 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.261 219 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.261 219 G C 0.432 175.265 174.900 -0.112 0.000 0.980 219 G CA 0.539 45.600 45.100 -0.065 0.000 0.632 219 G HN 1.875 nan 8.290 nan 0.000 0.533 220 V N 2.707 122.522 119.914 -0.166 0.000 2.498 220 V HA 0.425 4.545 4.120 -0.000 0.000 0.279 220 V C -1.052 174.847 176.094 -0.326 0.000 1.048 220 V CA -0.895 61.215 62.300 -0.317 0.000 0.967 220 V CB 1.543 33.176 31.823 -0.315 0.000 0.988 220 V HN 0.208 nan 8.190 nan 0.000 0.473 221 P HA 0.105 nan 4.420 nan 0.000 0.225 221 P C 1.024 178.185 177.300 -0.233 0.000 1.768 221 P CA 0.048 62.996 63.100 -0.253 0.000 0.943 221 P CB 0.470 32.057 31.700 -0.188 0.000 1.936 222 V N 1.249 121.023 119.914 -0.234 0.000 2.380 222 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 222 V C 2.821 178.863 176.094 -0.085 0.000 1.063 222 V CA 2.625 64.821 62.300 -0.173 0.000 1.055 222 V CB -1.641 30.062 31.823 -0.201 0.000 0.657 222 V HN 0.339 nan 8.190 nan 0.000 0.455 223 G N -0.197 108.553 108.800 -0.084 0.000 2.491 223 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 223 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 223 G C 1.614 176.535 174.900 0.035 0.000 1.180 223 G CA 1.173 46.273 45.100 -0.000 0.000 0.774 223 G HN 0.460 nan 8.290 nan 0.000 0.562 224 L N 0.146 121.380 121.223 0.019 0.000 2.046 224 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 224 L C 2.927 179.830 176.870 0.055 0.000 1.077 224 L CA 1.056 55.919 54.840 0.039 0.000 0.747 224 L CB -0.251 41.828 42.059 0.034 0.000 0.896 224 L HN 0.164 nan 8.230 nan 0.000 0.432 225 E N -0.349 119.877 120.200 0.043 0.000 2.265 225 E HA -0.145 4.204 4.350 -0.000 0.000 0.196 225 E C 1.435 178.097 176.600 0.103 0.000 0.996 225 E CA 0.882 57.328 56.400 0.077 0.000 0.832 225 E CB 0.073 29.812 29.700 0.065 0.000 0.756 225 E HN 0.275 nan 8.360 nan 0.000 0.491 226 L N 0.489 121.776 121.223 0.107 0.000 2.818 226 L HA 0.128 4.467 4.340 -0.000 0.000 0.243 226 L C 1.579 178.562 176.870 0.188 0.000 1.185 226 L CA 0.138 55.092 54.840 0.190 0.000 0.988 226 L CB -0.006 42.176 42.059 0.206 0.000 1.292 226 L HN -0.125 nan 8.230 nan 0.000 0.519 227 K N 0.475 120.946 120.400 0.120 0.000 2.044 227 K HA -0.250 4.070 4.320 -0.000 0.000 0.224 227 K C 0.587 177.233 176.600 0.076 0.000 1.056 227 K CA 2.380 58.714 56.287 0.078 0.000 0.962 227 K CB -0.071 32.466 32.500 0.062 0.000 0.730 227 K HN 0.373 nan 8.250 nan 0.000 0.453 228 N N -0.699 118.059 118.700 0.096 0.000 2.295 228 N HA -0.004 4.735 4.740 -0.000 0.000 0.221 228 N C -0.710 174.847 175.510 0.080 0.000 1.129 228 N CA -0.189 52.897 53.050 0.061 0.000 0.836 228 N CB 0.173 38.675 38.487 0.025 0.000 1.040 228 N HN 0.268 nan 8.380 nan 0.000 0.494 229 W N 2.561 123.850 121.300 -0.020 0.000 2.190 229 W HA 0.211 4.871 4.660 -0.000 0.000 0.330 229 W C -2.213 174.264 176.519 -0.069 0.000 1.299 229 W CA -1.686 55.651 57.345 -0.014 0.000 1.215 229 W CB 0.472 29.986 29.460 0.091 0.000 1.147 229 W HN 0.068 nan 8.180 nan 0.000 0.563 230 P HA 0.065 nan 4.420 nan 0.000 0.271 230 P C 0.432 177.789 177.300 0.095 0.000 1.228 230 P CA 2.403 65.377 63.100 -0.210 0.000 0.797 230 P CB 0.328 31.678 31.700 -0.583 0.000 0.914 231 G N -1.060 107.917 108.800 0.295 0.000 2.213 231 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.236 231 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.236 231 G C 0.413 175.401 174.900 0.147 0.000 0.991 231 G CA -0.285 45.090 45.100 0.458 0.000 0.629 231 G HN 0.538 nan 8.290 nan 0.000 0.517 240 I N 0.780 121.346 120.570 -0.006 0.000 2.735 240 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 240 I C -2.180 173.923 176.117 -0.024 0.000 1.452 240 I CA -0.887 60.408 61.300 -0.008 0.000 1.061 240 I CB 1.149 39.068 38.000 -0.135 0.000 1.383 240 I HN 0.785 nan 8.210 nan 0.000 0.425 241 I N 7.593 128.170 120.570 0.012 0.000 2.336 241 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 241 I C -0.353 175.776 176.117 0.019 0.000 0.991 241 I CA -0.465 60.841 61.300 0.009 0.000 1.227 241 I CB 1.466 39.475 38.000 0.015 0.000 1.366 241 I HN 0.611 nan 8.210 nan 0.000 0.466 242 M N 6.762 126.371 119.600 0.016 0.000 2.125 242 M HA 0.467 4.947 4.480 -0.000 0.000 0.321 242 M C -0.710 175.611 176.300 0.035 0.000 0.983 242 M CA -0.362 54.954 55.300 0.026 0.000 0.934 242 M CB 1.938 34.549 32.600 0.018 0.000 1.542 242 M HN 0.209 nan 8.290 nan 0.000 0.424 243 I N 5.238 125.831 120.570 0.038 0.000 2.312 243 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 243 I C -0.438 175.682 176.117 0.005 0.000 1.008 243 I CA -0.499 60.833 61.300 0.053 0.000 1.226 243 I CB 0.836 38.882 38.000 0.078 0.000 1.371 243 I HN 0.572 nan 8.210 nan 0.000 0.468 244 I N 5.346 125.890 120.570 -0.044 0.000 2.377 244 I HA 0.635 4.805 4.170 -0.000 0.000 0.293 244 I C 0.376 176.221 176.117 -0.453 0.000 0.987 244 I CA -0.648 60.563 61.300 -0.148 0.000 1.185 244 I CB 1.505 39.453 38.000 -0.086 0.000 1.341 244 I HN 0.558 nan 8.210 nan 0.000 0.455 245 A N 4.190 126.706 122.820 -0.506 0.000 2.386 245 A HA 0.858 5.178 4.320 -0.000 0.000 0.311 245 A C -0.397 176.950 177.584 -0.394 0.000 1.068 245 A CA -0.552 50.969 52.037 -0.860 0.000 0.743 245 A CB 2.083 20.635 19.000 -0.746 0.000 1.258 245 A HN 0.694 nan 8.150 nan 0.000 0.429 246 T N -0.389 113.967 114.554 -0.329 0.000 2.853 246 T HA 0.479 4.829 4.350 -0.000 0.000 0.311 246 T C -0.874 173.790 174.700 -0.061 0.000 1.307 246 T CA 0.134 62.150 62.100 -0.141 0.000 1.019 246 T CB 1.455 70.247 68.868 -0.127 0.000 1.264 246 T HN 0.732 nan 8.240 nan 0.000 0.497 247 D N 1.126 121.529 120.400 0.004 0.000 2.369 247 D HA 0.309 4.949 4.640 -0.000 0.000 0.211 247 D C 0.793 177.117 176.300 0.039 0.000 1.077 247 D CA -0.201 53.836 54.000 0.062 0.000 0.842 247 D CB -0.109 40.758 40.800 0.112 0.000 0.947 247 D HN 0.611 nan 8.370 nan 0.000 0.509 248 A N 2.160 124.905 122.820 -0.125 0.000 2.440 248 A HA 0.423 4.743 4.320 -0.000 0.000 0.251 248 A C -2.226 175.187 177.584 -0.284 0.000 1.089 248 A CA -1.055 50.668 52.037 -0.524 0.000 0.779 248 A CB 0.021 18.586 19.000 -0.725 0.000 1.022 248 A HN 0.066 nan 8.150 nan 0.000 0.492 249 P HA 0.415 nan 4.420 nan 0.000 0.276 249 P C -1.071 176.157 177.300 -0.120 0.000 1.253 249 P CA 0.347 63.378 63.100 -0.116 0.000 0.766 249 P CB 0.570 32.230 31.700 -0.066 0.000 0.845 250 L N 2.229 123.415 121.223 -0.062 0.000 2.466 250 L HA 0.436 4.776 4.340 -0.000 0.000 0.258 250 L C 0.931 177.803 176.870 0.002 0.000 0.973 250 L CA -0.790 54.026 54.840 -0.040 0.000 0.826 250 L CB 2.468 44.503 42.059 -0.039 0.000 1.372 250 L HN 0.300 nan 8.230 nan 0.000 0.409 251 T N -2.050 112.511 114.554 0.011 0.000 2.788 251 T HA 0.268 4.618 4.350 -0.000 0.000 0.280 251 T C 1.273 176.003 174.700 0.050 0.000 0.984 251 T CA 0.078 62.195 62.100 0.028 0.000 0.972 251 T CB 1.417 70.300 68.868 0.024 0.000 1.039 251 T HN 0.718 nan 8.240 nan 0.000 0.530 252 G N -0.300 108.536 108.800 0.060 0.000 2.422 252 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 252 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 252 G C 1.577 176.535 174.900 0.097 0.000 1.146 252 G CA 0.769 45.920 45.100 0.085 0.000 0.769 252 G HN 0.862 nan 8.290 nan 0.000 0.547 253 R N 0.177 120.723 120.500 0.076 0.000 2.073 253 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 253 R C 2.611 178.957 176.300 0.077 0.000 1.134 253 R CA 1.763 57.906 56.100 0.071 0.000 0.952 253 R CB -0.394 29.936 30.300 0.048 0.000 0.850 253 R HN 0.423 nan 8.270 nan 0.000 0.433 254 Q N 0.294 120.138 119.800 0.073 0.000 2.124 254 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 254 Q C 2.232 178.301 176.000 0.115 0.000 0.977 254 Q CA 1.532 57.392 55.803 0.095 0.000 0.850 254 Q CB -0.076 28.697 28.738 0.058 0.000 0.901 254 Q HN 0.404 nan 8.270 nan 0.000 0.429 255 L N 0.766 122.047 121.223 0.096 0.000 2.275 255 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 255 L C 1.787 178.726 176.870 0.115 0.000 1.119 255 L CA 0.376 55.277 54.840 0.101 0.000 0.790 255 L CB -0.247 41.872 42.059 0.100 0.000 0.919 255 L HN 0.250 nan 8.230 nan 0.000 0.443 256 N N 0.159 118.935 118.700 0.126 0.000 2.270 256 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 256 N C 1.866 177.404 175.510 0.046 0.000 1.016 256 N CA 0.840 53.978 53.050 0.147 0.000 0.870 256 N CB 0.001 38.583 38.487 0.158 0.000 0.979 256 N HN 0.365 nan 8.380 nan 0.000 0.431 257 R N 0.329 120.837 120.500 0.014 0.000 2.075 257 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 257 R C 2.141 178.310 176.300 -0.219 0.000 1.126 257 R CA 0.754 56.782 56.100 -0.121 0.000 0.963 257 R CB -0.492 29.817 30.300 0.015 0.000 0.858 257 R HN -0.008 nan 8.270 nan 0.000 0.435 258 V N 1.480 121.399 119.914 0.008 0.000 2.287 258 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 258 V C 2.508 178.582 176.094 -0.032 0.000 1.053 258 V CA 2.056 64.380 62.300 0.040 0.000 1.027 258 V CB -0.758 31.135 31.823 0.117 0.000 0.646 258 V HN 0.422 nan 8.190 nan 0.000 0.447 259 A N -0.582 122.247 122.820 0.015 0.000 1.972 259 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 259 A C 2.288 179.885 177.584 0.022 0.000 1.169 259 A CA 1.905 53.980 52.037 0.063 0.000 0.635 259 A CB -0.434 18.665 19.000 0.165 0.000 0.810 259 A HN 0.555 nan 8.150 nan 0.000 0.446 260 K N -0.800 119.508 120.400 -0.153 0.000 2.097 260 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 260 K C 2.016 178.434 176.600 -0.305 0.000 1.049 260 K CA 1.022 57.043 56.287 -0.443 0.000 0.933 260 K CB -0.139 31.939 32.500 -0.704 0.000 0.717 260 K HN 0.232 nan 8.250 nan 0.000 0.442 261 R N 0.425 120.759 120.500 -0.276 0.000 2.193 261 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 261 R C 2.049 178.296 176.300 -0.090 0.000 1.110 261 R CA 0.965 56.940 56.100 -0.210 0.000 0.988 261 R CB -0.739 29.427 30.300 -0.222 0.000 0.871 261 R HN 0.217 nan 8.270 nan 0.000 0.458 262 A N 1.492 124.283 122.820 -0.049 0.000 1.972 262 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 262 A C 1.955 179.530 177.584 -0.016 0.000 1.169 262 A CA 1.012 53.044 52.037 -0.008 0.000 0.635 262 A CB -0.315 18.697 19.000 0.020 0.000 0.810 262 A HN 0.081 nan 8.150 nan 0.000 0.446 263 I N -0.098 120.462 120.570 -0.017 0.000 2.614 263 I HA -0.136 4.034 4.170 -0.000 0.000 0.258 263 I C 2.309 178.394 176.117 -0.053 0.000 1.189 263 I CA 0.850 62.138 61.300 -0.021 0.000 1.462 263 I CB -1.460 36.559 38.000 0.031 0.000 1.092 263 I HN 0.128 nan 8.210 nan 0.000 0.442 264 V N 1.483 121.362 119.914 -0.058 0.000 2.358 264 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 264 V C 2.675 178.750 176.094 -0.032 0.000 1.047 264 V CA 2.026 64.297 62.300 -0.049 0.000 1.035 264 V CB -1.270 30.527 31.823 -0.044 0.000 0.658 264 V HN 0.492 nan 8.190 nan 0.000 0.452 265 G N -0.288 108.501 108.800 -0.017 0.000 2.403 265 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 265 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 265 G C 1.556 176.452 174.900 -0.007 0.000 1.154 265 G CA 0.953 46.053 45.100 0.001 0.000 0.784 265 G HN 0.429 nan 8.290 nan 0.000 0.538 266 L N 1.593 122.790 121.223 -0.043 0.000 1.994 266 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 266 L C 3.016 179.823 176.870 -0.105 0.000 1.071 266 L CA 2.320 57.102 54.840 -0.097 0.000 0.745 266 L CB -0.913 41.027 42.059 -0.198 0.000 0.892 266 L HN 0.215 nan 8.230 nan 0.000 0.431 267 A N -0.303 122.442 122.820 -0.125 0.000 1.940 267 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 267 A C 2.375 179.875 177.584 -0.141 0.000 1.176 267 A CA 1.946 53.881 52.037 -0.171 0.000 0.631 267 A CB -0.640 18.288 19.000 -0.121 0.000 0.814 267 A HN 0.564 nan 8.150 nan 0.000 0.446 268 R N -0.599 119.861 120.500 -0.067 0.000 2.285 268 R HA -0.049 4.291 4.340 -0.000 0.000 0.213 268 R C 1.694 177.977 176.300 -0.028 0.000 1.068 268 R CA 1.397 57.472 56.100 -0.042 0.000 1.004 268 R CB -0.326 29.962 30.300 -0.021 0.000 0.873 268 R HN 0.744 nan 8.270 nan 0.000 0.467 269 T N -4.150 110.414 114.554 0.016 0.000 3.069 269 T HA 0.239 4.589 4.350 -0.000 0.000 0.252 269 T C 1.135 175.887 174.700 0.087 0.000 1.053 269 T CA 0.374 62.508 62.100 0.055 0.000 0.964 269 T CB 1.086 70.079 68.868 0.210 0.000 1.005 269 T HN 0.284 nan 8.240 nan 0.000 0.532 270 G N 0.378 109.188 108.800 0.016 0.000 2.141 270 G HA2 0.031 3.990 3.960 -0.000 0.000 0.164 270 G HA3 0.031 3.990 3.960 -0.000 0.000 0.164 270 G C 0.256 175.118 174.900 -0.064 0.000 1.009 270 G CA -0.501 44.573 45.100 -0.044 0.000 0.677 270 G HN 0.941 nan 8.290 nan 0.000 0.508 271 G N -0.244 108.487 108.800 -0.116 0.000 2.391 271 G HA2 0.500 4.460 3.960 -0.000 0.000 0.305 271 G HA3 0.500 4.460 3.960 -0.000 0.000 0.305 271 G C 0.329 174.930 174.900 -0.498 0.000 1.072 271 G CA -0.401 44.580 45.100 -0.199 0.000 1.016 271 G HN 0.292 nan 8.290 nan 0.000 0.418 272 Y N 2.056 122.202 120.300 -0.257 0.000 2.457 272 Y HA 0.350 4.900 4.550 -0.000 0.000 0.263 272 Y C 1.807 177.504 175.900 -0.338 0.000 1.164 272 Y CA -0.006 57.903 58.100 -0.319 0.000 1.274 272 Y CB 0.406 38.621 38.460 -0.410 0.000 1.097 272 Y HN 0.825 nan 8.280 nan 0.000 0.523 273 A N -0.522 122.140 122.820 -0.264 0.000 2.578 273 A HA -0.274 4.046 4.320 -0.000 0.000 0.298 273 A C -0.300 177.254 177.584 -0.050 0.000 1.472 273 A CA 0.011 51.958 52.037 -0.151 0.000 0.734 273 A CB -2.897 16.055 19.000 -0.080 0.000 1.091 273 A HN 0.354 nan 8.150 nan 0.000 0.426 274 Y N -0.391 119.949 120.300 0.066 0.000 2.554 274 Y HA 0.076 4.625 4.550 -0.000 0.000 0.353 274 Y C 1.833 177.724 175.900 -0.015 0.000 1.269 274 Y CA 0.639 58.757 58.100 0.030 0.000 1.494 274 Y CB 0.069 38.538 38.460 0.015 0.000 1.365 274 Y HN 0.688 nan 8.280 nan 0.000 0.664 275 N N 0.429 119.220 118.700 0.152 0.000 2.091 275 N HA -0.163 4.577 4.740 -0.000 0.000 0.193 275 N C 1.650 177.108 175.510 -0.086 0.000 1.021 275 N CA 1.851 54.925 53.050 0.040 0.000 0.862 275 N CB -0.449 38.043 38.487 0.009 0.000 1.018 275 N HN 0.834 nan 8.380 nan 0.000 0.429 276 G N -1.412 107.257 108.800 -0.218 0.000 3.314 276 G HA2 0.090 4.050 3.960 -0.000 0.000 0.238 276 G HA3 0.090 4.050 3.960 -0.000 0.000 0.238 276 G C -0.311 174.430 174.900 -0.265 0.000 1.184 276 G CA -0.238 44.503 45.100 -0.598 0.000 0.806 276 G HN 0.277 nan 8.290 nan 0.000 0.536 277 S N 0.584 116.261 115.700 -0.039 0.000 2.423 277 S HA 0.507 4.977 4.470 -0.000 0.000 0.317 277 S C 0.803 175.431 174.600 0.046 0.000 1.065 277 S CA -0.400 57.817 58.200 0.028 0.000 1.111 277 S CB 0.516 63.742 63.200 0.042 0.000 0.968 277 S HN 0.288 nan 8.310 nan 0.000 0.474 278 G N 3.916 112.767 108.800 0.086 0.000 2.690 278 G HA2 0.240 4.200 3.960 -0.000 0.000 0.294 278 G HA3 0.240 4.200 3.960 -0.000 0.000 0.294 278 G C -0.739 174.162 174.900 0.001 0.000 0.793 278 G CA -0.454 44.693 45.100 0.078 0.000 1.818 278 G HN 0.668 nan 8.290 nan 0.000 0.515 279 D N 2.013 122.387 120.400 -0.043 0.000 2.373 279 D HA 0.462 5.102 4.640 -0.000 0.000 0.227 279 D C 0.226 176.474 176.300 -0.087 0.000 1.091 279 D CA 0.142 54.086 54.000 -0.093 0.000 0.840 279 D CB 1.669 42.385 40.800 -0.141 0.000 1.060 279 D HN 0.240 nan 8.370 nan 0.000 0.502 280 I N 0.995 121.529 120.570 -0.060 0.000 2.686 280 I HA 0.615 4.785 4.170 -0.000 0.000 0.295 280 I C -0.690 175.428 176.117 0.002 0.000 1.114 280 I CA -1.097 60.175 61.300 -0.046 0.000 1.038 280 I CB 2.197 40.172 38.000 -0.042 0.000 1.238 280 I HN 0.288 nan 8.210 nan 0.000 0.420 281 A N 5.578 128.430 122.820 0.053 0.000 2.343 281 A HA 0.849 5.169 4.320 -0.000 0.000 0.316 281 A C -1.151 176.488 177.584 0.092 0.000 1.104 281 A CA -0.519 51.567 52.037 0.082 0.000 0.768 281 A CB 1.609 20.686 19.000 0.128 0.000 1.213 281 A HN 0.391 nan 8.150 nan 0.000 0.456 282 V N 1.323 121.279 119.914 0.069 0.000 2.540 282 V HA 0.798 4.918 4.120 -0.000 0.000 0.302 282 V C 0.256 176.413 176.094 0.104 0.000 1.035 282 V CA -0.177 62.170 62.300 0.079 0.000 0.873 282 V CB 1.482 33.341 31.823 0.061 0.000 0.992 282 V HN 1.337 nan 8.190 nan 0.000 0.428 283 A N 4.994 127.885 122.820 0.117 0.000 2.414 283 A HA 1.032 5.352 4.320 -0.000 0.000 0.306 283 A C -1.106 176.568 177.584 0.149 0.000 1.054 283 A CA -0.489 51.582 52.037 0.057 0.000 0.724 283 A CB 1.566 20.582 19.000 0.027 0.000 1.267 283 A HN 1.181 nan 8.150 nan 0.000 0.418 284 F N -0.034 119.927 119.950 0.019 0.000 2.645 284 F HA 0.850 5.377 4.527 -0.000 0.000 0.310 284 F C -0.391 175.420 175.800 0.019 0.000 1.102 284 F CA -0.861 57.148 58.000 0.016 0.000 0.952 284 F CB 1.435 40.438 39.000 0.005 0.000 1.326 284 F HN 0.526 nan 8.300 nan 0.000 0.456 285 S N -0.314 115.527 115.700 0.234 0.000 2.503 285 S HA 0.514 4.984 4.470 -0.000 0.000 0.301 285 S C 0.356 175.103 174.600 0.244 0.000 1.087 285 S CA 0.101 58.379 58.200 0.131 0.000 1.042 285 S CB 1.385 64.616 63.200 0.052 0.000 1.043 285 S HN 1.079 nan 8.310 nan 0.000 0.489 286 T N 1.388 116.060 114.554 0.196 0.000 3.086 286 T HA 0.309 4.659 4.350 -0.000 0.000 0.250 286 T C 1.569 176.340 174.700 0.120 0.000 1.074 286 T CA 0.374 62.597 62.100 0.204 0.000 0.988 286 T CB 0.013 69.005 68.868 0.206 0.000 0.988 286 T HN 0.593 nan 8.240 nan 0.000 0.530 287 A N 2.256 125.128 122.820 0.087 0.000 1.968 287 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 287 A C 1.116 178.729 177.584 0.047 0.000 1.169 287 A CA 0.458 52.530 52.037 0.058 0.000 0.638 287 A CB -0.180 18.839 19.000 0.032 0.000 0.812 287 A HN 0.539 nan 8.150 nan 0.000 0.446 288 N N 0.495 119.227 118.700 0.053 0.000 2.443 288 N HA 0.305 5.044 4.740 -0.000 0.000 0.269 288 N C -1.214 174.324 175.510 0.047 0.000 0.985 288 N CA -0.269 52.805 53.050 0.040 0.000 0.921 288 N CB 1.408 39.915 38.487 0.033 0.000 1.195 288 N HN 0.255 nan 8.380 nan 0.000 0.492 289 R N 2.092 122.610 120.500 0.029 0.000 2.255 289 R HA 0.433 4.772 4.340 -0.000 0.000 0.326 289 R C -0.184 176.127 176.300 0.018 0.000 0.986 289 R CA -0.717 55.399 56.100 0.027 0.000 0.847 289 R CB 1.383 31.675 30.300 -0.012 0.000 1.111 289 R HN 0.414 nan 8.270 nan 0.000 0.452 290 I N 4.595 125.177 120.570 0.020 0.000 2.301 290 I HA 0.143 4.313 4.170 -0.000 0.000 0.292 290 I C 0.391 176.502 176.117 -0.009 0.000 1.046 290 I CA -0.686 60.614 61.300 0.001 0.000 1.282 290 I CB 0.708 38.704 38.000 -0.008 0.000 1.409 290 I HN 0.247 nan 8.210 nan 0.000 0.484 291 K N 5.143 125.538 120.400 -0.007 0.000 2.339 291 K HA 0.027 4.347 4.320 -0.000 0.000 0.286 291 K C 1.010 177.589 176.600 -0.035 0.000 1.050 291 K CA -0.264 56.025 56.287 0.003 0.000 0.956 291 K CB 0.864 33.382 32.500 0.029 0.000 0.990 291 K HN 0.471 nan 8.250 nan 0.000 0.475 292 H N 2.408 121.359 119.070 -0.198 0.000 2.352 292 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 292 H C 0.562 175.674 175.328 -0.361 0.000 1.097 292 H CA 2.096 57.911 56.048 -0.389 0.000 1.311 292 H CB 0.112 29.477 29.762 -0.661 0.000 1.377 292 H HN 0.601 nan 8.280 nan 0.000 0.504 293 Y N 0.257 120.526 120.300 -0.052 0.000 2.466 293 Y HA 0.133 4.683 4.550 -0.000 0.000 0.272 293 Y C 0.759 176.618 175.900 -0.069 0.000 1.169 293 Y CA 0.241 58.293 58.100 -0.079 0.000 1.285 293 Y CB -0.179 38.287 38.460 0.009 0.000 1.078 293 Y HN 0.207 nan 8.280 nan 0.000 0.523 294 E N 2.225 122.455 120.200 0.049 0.000 2.481 294 E HA -0.077 4.273 4.350 -0.000 0.000 0.263 294 E C 0.978 177.582 176.600 0.007 0.000 0.992 294 E CA 0.432 56.848 56.400 0.026 0.000 0.938 294 E CB 0.525 30.226 29.700 0.002 0.000 0.933 294 E HN 0.197 nan 8.360 nan 0.000 0.453 295 K N 2.312 122.720 120.400 0.013 0.000 2.529 295 K HA 0.205 4.525 4.320 -0.000 0.000 0.215 295 K C -0.420 176.181 176.600 0.001 0.000 1.286 295 K CA -0.022 56.268 56.287 0.005 0.000 0.997 295 K CB 0.338 32.847 32.500 0.014 0.000 1.063 295 K HN 0.319 nan 8.250 nan 0.000 0.590 296 E N 1.654 121.855 120.200 0.003 0.000 2.250 296 E HA 0.287 4.637 4.350 -0.000 0.000 0.269 296 E C -0.152 176.448 176.600 -0.000 0.000 1.018 296 E CA -1.063 55.338 56.400 0.002 0.000 0.873 296 E CB 1.981 31.683 29.700 0.003 0.000 1.134 296 E HN -0.152 nan 8.360 nan 0.000 0.403 297 V N 2.583 122.497 119.914 -0.000 0.000 2.814 297 V HA -0.046 4.074 4.120 -0.000 0.000 0.307 297 V C 0.788 176.882 176.094 0.001 0.000 1.089 297 V CA 0.732 63.032 62.300 -0.000 0.000 1.212 297 V CB -0.508 31.315 31.823 0.000 0.000 0.912 297 V HN 0.499 nan 8.190 nan 0.000 0.497 298 I N 1.269 121.839 120.570 0.000 0.000 3.170 298 I HA 0.756 4.926 4.170 -0.000 0.000 0.312 298 I C -0.470 175.649 176.117 0.003 0.000 1.085 298 I CA -1.010 60.291 61.300 0.002 0.000 0.999 298 I CB 2.336 40.337 38.000 0.001 0.000 1.233 298 I HN 0.460 nan 8.210 nan 0.000 0.467 299 E N 2.620 122.823 120.200 0.004 0.000 2.165 299 E HA 0.542 4.892 4.350 -0.000 0.000 0.266 299 E C -1.329 175.275 176.600 0.006 0.000 0.889 299 E CA -0.562 55.841 56.400 0.005 0.000 0.756 299 E CB 2.750 32.453 29.700 0.005 0.000 1.131 299 E HN 0.455 nan 8.360 nan 0.000 0.411 300 I N 3.565 124.138 120.570 0.006 0.000 2.330 300 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 300 I C -0.029 176.091 176.117 0.005 0.000 1.001 300 I CA -0.521 60.783 61.300 0.007 0.000 1.193 300 I CB 0.909 38.914 38.000 0.008 0.000 1.345 300 I HN 0.192 nan 8.210 nan 0.000 0.461 301 K N 5.717 126.120 120.400 0.006 0.000 2.368 301 K HA 0.650 4.970 4.320 -0.000 0.000 0.282 301 K C -0.410 176.184 176.600 -0.010 0.000 1.035 301 K CA -0.178 56.111 56.287 0.003 0.000 0.973 301 K CB 0.904 33.411 32.500 0.011 0.000 0.957 301 K HN 0.681 nan 8.250 nan 0.000 0.474 302 A N 3.478 126.287 122.820 -0.018 0.000 2.540 302 A HA 0.396 4.716 4.320 -0.000 0.000 0.297 302 A C -1.067 176.488 177.584 -0.048 0.000 1.056 302 A CA -0.863 51.151 52.037 -0.038 0.000 0.700 302 A CB 0.810 19.795 19.000 -0.025 0.000 1.280 302 A HN 0.603 nan 8.150 nan 0.000 0.398 303 L N 3.246 124.417 121.223 -0.086 0.000 2.417 303 L HA 0.389 4.729 4.340 -0.000 0.000 0.268 303 L C -1.737 175.090 176.870 -0.071 0.000 1.158 303 L CA -1.649 53.139 54.840 -0.087 0.000 0.819 303 L CB 0.923 42.889 42.059 -0.155 0.000 1.112 303 L HN 0.514 nan 8.230 nan 0.000 0.458 304 P HA 0.029 nan 4.420 nan 0.000 0.275 304 P C -0.363 176.897 177.300 -0.067 0.000 1.227 304 P CA -0.337 62.737 63.100 -0.044 0.000 0.781 304 P CB 0.912 32.594 31.700 -0.030 0.000 0.906 305 D N 1.226 121.594 120.400 -0.055 0.000 2.228 305 D HA -0.140 4.500 4.640 -0.000 0.000 0.203 305 D C 1.789 178.035 176.300 -0.089 0.000 0.988 305 D CA 1.742 55.699 54.000 -0.071 0.000 0.864 305 D CB -0.177 40.614 40.800 -0.015 0.000 0.928 305 D HN 0.467 nan 8.370 nan 0.000 0.469 306 S N 0.316 115.981 115.700 -0.057 0.000 2.469 306 S HA -0.112 4.358 4.470 -0.000 0.000 0.238 306 S C 1.996 176.555 174.600 -0.069 0.000 0.998 306 S CA 1.067 59.238 58.200 -0.049 0.000 0.957 306 S CB -0.262 62.922 63.200 -0.026 0.000 0.764 306 S HN 0.256 nan 8.310 nan 0.000 0.514 307 V N -0.372 119.486 119.914 -0.093 0.000 3.643 307 V HA 0.431 4.551 4.120 -0.000 0.000 0.280 307 V C 1.540 177.538 176.094 -0.160 0.000 1.351 307 V CA 0.036 62.280 62.300 -0.093 0.000 1.073 307 V CB -0.718 31.072 31.823 -0.055 0.000 0.863 307 V HN 0.657 nan 8.190 nan 0.000 0.436 308 I N -1.797 118.609 120.570 -0.274 0.000 3.735 308 I HA 0.193 4.362 4.170 -0.000 0.000 0.310 308 I C 1.897 177.630 176.117 -0.641 0.000 1.270 308 I CA 0.506 61.540 61.300 -0.443 0.000 1.207 308 I CB -0.310 37.365 38.000 -0.541 0.000 1.013 308 I HN 0.085 nan 8.210 nan 0.000 0.452 309 S N 2.406 117.852 115.700 -0.424 0.000 2.383 309 S HA -0.052 4.418 4.470 -0.000 0.000 0.229 309 S C -0.379 174.170 174.600 -0.085 0.000 1.030 309 S CA 1.689 59.734 58.200 -0.258 0.000 1.002 309 S CB -1.075 62.100 63.200 -0.041 0.000 0.829 309 S HN 0.452 nan 8.310 nan 0.000 0.467 310 P HA -0.052 nan 4.420 nan 0.000 0.216 310 P C 1.282 178.530 177.300 -0.086 0.000 1.150 310 P CA 0.874 63.980 63.100 0.010 0.000 0.837 310 P CB -0.088 31.584 31.700 -0.046 0.000 0.786 311 L N -2.651 118.479 121.223 -0.154 0.000 2.093 311 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 311 L C 2.319 179.250 176.870 0.102 0.000 1.085 311 L CA 1.211 55.989 54.840 -0.103 0.000 0.755 311 L CB -0.922 41.039 42.059 -0.163 0.000 0.904 311 L HN -0.066 nan 8.230 nan 0.000 0.435 312 F N 0.701 120.639 119.950 -0.021 0.000 2.126 312 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 312 F C 2.630 178.447 175.800 0.028 0.000 1.096 312 F CA 1.327 59.323 58.000 -0.007 0.000 1.255 312 F CB -0.877 38.119 39.000 -0.007 0.000 0.997 312 F HN 0.051 nan 8.300 nan 0.000 0.479 313 K N 0.201 120.772 120.400 0.285 0.000 2.031 313 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 313 K C 2.274 179.033 176.600 0.265 0.000 1.049 313 K CA 1.108 57.553 56.287 0.262 0.000 0.939 313 K CB -0.267 32.436 32.500 0.339 0.000 0.717 313 K HN 0.106 nan 8.250 nan 0.000 0.438 314 A N 0.557 123.517 122.820 0.232 0.000 1.940 314 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 314 A C 2.132 179.775 177.584 0.099 0.000 1.176 314 A CA 2.231 54.353 52.037 0.141 0.000 0.631 314 A CB -1.024 17.879 19.000 -0.162 0.000 0.814 314 A HN 0.441 nan 8.150 nan 0.000 0.446 315 T N 0.060 114.665 114.554 0.084 0.000 2.746 315 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 315 T C 2.213 176.948 174.700 0.058 0.000 1.039 315 T CA 1.510 63.645 62.100 0.059 0.000 1.142 315 T CB -0.380 68.527 68.868 0.065 0.000 0.866 315 T HN 0.611 nan 8.240 nan 0.000 0.444 316 A N 1.398 124.261 122.820 0.072 0.000 1.873 316 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 316 A C 2.205 179.826 177.584 0.061 0.000 1.186 316 A CA 1.525 53.592 52.037 0.051 0.000 0.616 316 A CB -0.529 18.501 19.000 0.050 0.000 0.823 316 A HN 0.522 nan 8.150 nan 0.000 0.442 317 E N -0.337 119.919 120.200 0.094 0.000 2.058 317 E HA -0.148 4.201 4.350 -0.000 0.000 0.194 317 E C 2.358 179.005 176.600 0.078 0.000 0.997 317 E CA 1.009 57.465 56.400 0.094 0.000 0.801 317 E CB -0.276 29.515 29.700 0.151 0.000 0.746 317 E HN 0.605 nan 8.360 nan 0.000 0.450 318 A N 0.692 123.559 122.820 0.078 0.000 1.883 318 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 318 A C 2.481 180.101 177.584 0.061 0.000 1.186 318 A CA 1.447 53.523 52.037 0.064 0.000 0.624 318 A CB -0.762 18.268 19.000 0.050 0.000 0.822 318 A HN 0.141 nan 8.150 nan 0.000 0.444 319 V N -0.058 119.887 119.914 0.053 0.000 2.295 319 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 319 V C 2.527 178.661 176.094 0.066 0.000 1.049 319 V CA 2.327 64.659 62.300 0.053 0.000 1.024 319 V CB -0.761 31.083 31.823 0.033 0.000 0.648 319 V HN 0.757 nan 8.190 nan 0.000 0.447 320 E N -0.032 120.202 120.200 0.057 0.000 2.038 320 E HA -0.304 4.046 4.350 -0.000 0.000 0.195 320 E C 2.329 178.967 176.600 0.063 0.000 1.000 320 E CA 1.863 58.298 56.400 0.059 0.000 0.803 320 E CB -0.123 29.600 29.700 0.039 0.000 0.750 320 E HN 0.685 nan 8.360 nan 0.000 0.448 321 E N -0.423 119.810 120.200 0.055 0.000 2.107 321 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 321 E C 1.953 178.591 176.600 0.063 0.000 0.982 321 E CA 0.719 57.148 56.400 0.048 0.000 0.809 321 E CB -0.081 29.645 29.700 0.043 0.000 0.756 321 E HN 0.323 nan 8.360 nan 0.000 0.459 322 A N 1.391 124.258 122.820 0.078 0.000 1.883 322 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 322 A C 2.142 179.794 177.584 0.113 0.000 1.186 322 A CA 1.419 53.514 52.037 0.096 0.000 0.624 322 A CB -0.701 18.359 19.000 0.100 0.000 0.822 322 A HN 0.303 nan 8.150 nan 0.000 0.444 323 I N -0.028 120.623 120.570 0.134 0.000 2.163 323 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 323 I C 2.198 178.407 176.117 0.154 0.000 1.085 323 I CA 1.062 62.478 61.300 0.195 0.000 1.347 323 I CB -0.356 37.812 38.000 0.280 0.000 1.044 323 I HN 0.260 nan 8.210 nan 0.000 0.408 324 I N 0.939 121.567 120.570 0.096 0.000 2.208 324 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 324 I C 2.195 178.328 176.117 0.027 0.000 1.097 324 I CA 1.594 62.916 61.300 0.036 0.000 1.363 324 I CB -1.635 36.363 38.000 -0.002 0.000 1.051 324 I HN 0.349 nan 8.210 nan 0.000 0.413 325 N N 1.091 119.817 118.700 0.043 0.000 2.166 325 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 325 N C 2.047 177.585 175.510 0.048 0.000 1.019 325 N CA 1.680 54.752 53.050 0.036 0.000 0.856 325 N CB -0.373 38.142 38.487 0.048 0.000 0.993 325 N HN 0.465 nan 8.380 nan 0.000 0.426 326 S N 0.699 116.445 115.700 0.077 0.000 2.400 326 S HA -0.049 4.420 4.470 -0.000 0.000 0.232 326 S C 2.062 176.696 174.600 0.057 0.000 1.025 326 S CA 0.698 58.946 58.200 0.080 0.000 0.993 326 S CB -0.562 62.703 63.200 0.107 0.000 0.808 326 S HN 0.247 nan 8.310 nan 0.000 0.478 327 L N 0.374 121.624 121.223 0.046 0.000 2.095 327 L HA 0.168 4.508 4.340 -0.000 0.000 0.204 327 L C 2.483 179.330 176.870 -0.039 0.000 1.080 327 L CA 0.760 55.605 54.840 0.009 0.000 0.759 327 L CB -0.509 41.542 42.059 -0.014 0.000 0.914 327 L HN 0.279 nan 8.230 nan 0.000 0.439 328 L N -0.511 120.688 121.223 -0.040 0.000 2.291 328 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 328 L C 2.184 179.037 176.870 -0.029 0.000 1.120 328 L CA 0.757 55.565 54.840 -0.053 0.000 0.799 328 L CB -0.294 41.736 42.059 -0.049 0.000 0.925 328 L HN 0.309 nan 8.230 nan 0.000 0.446 329 E N 0.380 120.577 120.200 -0.006 0.000 2.452 329 E HA 0.165 4.515 4.350 -0.000 0.000 0.197 329 E C 0.831 177.437 176.600 0.009 0.000 1.022 329 E CA 0.074 56.477 56.400 0.004 0.000 0.890 329 E CB 0.435 30.146 29.700 0.018 0.000 0.918 329 E HN 0.311 nan 8.360 nan 0.000 0.496 330 A N 2.603 125.431 122.820 0.012 0.000 2.407 330 A HA 0.234 4.554 4.320 -0.000 0.000 0.248 330 A C 0.502 178.100 177.584 0.023 0.000 1.082 330 A CA -0.217 51.833 52.037 0.022 0.000 0.785 330 A CB 0.130 19.153 19.000 0.038 0.000 1.020 330 A HN 0.147 nan 8.150 nan 0.000 0.489 331 R N 1.466 121.983 120.500 0.028 0.000 2.532 331 R HA 0.551 4.891 4.340 -0.000 0.000 0.295 331 R C -0.624 175.704 176.300 0.047 0.000 0.968 331 R CA -0.436 55.684 56.100 0.033 0.000 0.916 331 R CB 0.515 30.828 30.300 0.022 0.000 1.124 331 R HN 0.485 nan 8.270 nan 0.000 0.463 332 T N 3.204 117.797 114.554 0.065 0.000 2.939 332 T HA 0.083 4.433 4.350 -0.000 0.000 0.319 332 T C 0.113 174.813 174.700 0.001 0.000 1.082 332 T CA 0.416 62.550 62.100 0.056 0.000 1.133 332 T CB 0.209 69.130 68.868 0.089 0.000 1.019 332 T HN 0.619 nan 8.240 nan 0.000 0.548 333 M N 2.528 122.102 119.600 -0.043 0.000 2.414 333 M HA 0.355 4.834 4.480 -0.000 0.000 0.287 333 M C -2.000 174.259 176.300 -0.068 0.000 1.181 333 M CA -0.850 54.426 55.300 -0.039 0.000 0.933 333 M CB 2.130 34.728 32.600 -0.003 0.000 1.732 333 M HN 0.697 nan 8.290 nan 0.000 0.486 334 D N 2.071 122.436 120.400 -0.059 0.000 2.252 334 D HA 0.840 5.480 4.640 -0.000 0.000 0.245 334 D C -0.217 176.056 176.300 -0.044 0.000 1.009 334 D CA -0.395 53.569 54.000 -0.060 0.000 0.870 334 D CB 2.075 42.837 40.800 -0.063 0.000 1.251 334 D HN 0.766 nan 8.370 nan 0.000 0.460 335 G N -0.083 108.687 108.800 -0.051 0.000 3.085 335 G HA2 0.513 4.473 3.960 -0.000 0.000 0.264 335 G HA3 0.513 4.473 3.960 -0.000 0.000 0.264 335 G C -0.852 173.973 174.900 -0.124 0.000 1.206 335 G CA -1.142 43.918 45.100 -0.067 0.000 0.809 335 G HN 0.749 nan 8.290 nan 0.000 0.592 336 R N -0.015 120.397 120.500 -0.146 0.000 2.678 336 R HA 0.173 4.513 4.340 -0.000 0.000 0.264 336 R C -0.323 175.733 176.300 -0.407 0.000 0.995 336 R CA 0.960 56.932 56.100 -0.212 0.000 1.098 336 R CB -0.215 29.984 30.300 -0.168 0.000 0.949 336 R HN 0.445 nan 8.270 nan 0.000 0.422 337 D N 1.123 121.312 120.400 -0.352 0.000 2.882 337 D HA -0.226 4.414 4.640 -0.000 0.000 0.229 337 D C -0.523 175.569 176.300 -0.347 0.000 1.167 337 D CA 1.436 55.188 54.000 -0.412 0.000 0.759 337 D CB -0.952 39.448 40.800 -0.667 0.000 1.088 337 D HN 0.840 nan 8.370 nan 0.000 0.425 338 N N -1.138 117.432 118.700 -0.216 0.000 2.753 338 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 338 N C -0.165 175.318 175.510 -0.044 0.000 1.097 338 N CA 1.096 54.082 53.050 -0.106 0.000 0.786 338 N CB -1.869 36.581 38.487 -0.061 0.000 1.137 338 N HN 0.671 nan 8.380 nan 0.000 0.566 339 H N -0.483 118.478 119.070 -0.181 0.000 2.815 339 H HA 0.312 4.868 4.556 -0.000 0.000 0.350 339 H C 0.324 175.572 175.328 -0.134 0.000 1.080 339 H CA -0.141 55.761 56.048 -0.243 0.000 1.433 339 H CB 0.887 30.245 29.762 -0.674 0.000 1.432 339 H HN -0.141 nan 8.280 nan 0.000 0.592 340 V N 4.303 124.262 119.914 0.076 0.000 2.823 340 V HA 0.399 4.518 4.120 -0.000 0.000 0.312 340 V C -0.161 175.936 176.094 0.004 0.000 1.072 340 V CA -0.992 61.273 62.300 -0.059 0.000 0.937 340 V CB 1.963 33.629 31.823 -0.261 0.000 1.013 340 V HN 0.721 nan 8.190 nan 0.000 0.430 341 R N 2.363 122.835 120.500 -0.046 0.000 2.473 341 R HA 0.465 4.804 4.340 -0.000 0.000 0.303 341 R C -1.472 174.861 176.300 0.055 0.000 1.002 341 R CA -0.511 55.641 56.100 0.087 0.000 0.884 341 R CB 1.457 31.846 30.300 0.149 0.000 1.173 341 R HN 0.672 nan 8.270 nan 0.000 0.464 342 Y N 0.513 120.974 120.300 0.268 0.000 2.301 342 Y HA 0.416 4.966 4.550 -0.000 0.000 0.328 342 Y C 1.202 177.279 175.900 0.295 0.000 1.242 342 Y CA -0.396 57.877 58.100 0.289 0.000 1.323 342 Y CB 0.823 39.517 38.460 0.390 0.000 1.266 342 Y HN 0.563 nan 8.280 nan 0.000 0.527 343 A N 2.629 125.630 122.820 0.302 0.000 2.407 343 A HA 0.324 4.644 4.320 -0.000 0.000 0.248 343 A C -0.481 177.034 177.584 -0.115 0.000 1.082 343 A CA -0.677 51.420 52.037 0.101 0.000 0.785 343 A CB 0.033 19.061 19.000 0.048 0.000 1.020 343 A HN 0.771 nan 8.150 nan 0.000 0.489 344 L N 4.670 125.614 121.223 -0.464 0.000 2.700 344 L HA 0.114 4.454 4.340 -0.000 0.000 0.276 344 L C -1.688 174.815 176.870 -0.612 0.000 1.200 344 L CA -0.865 53.357 54.840 -1.029 0.000 0.951 344 L CB -0.219 41.356 42.059 -0.806 0.000 1.226 344 L HN 0.493 nan 8.230 nan 0.000 0.489 345 P HA -0.022 nan 4.420 nan 0.000 0.263 345 P C -0.073 176.995 177.300 -0.386 0.000 1.247 345 P CA 0.116 62.925 63.100 -0.484 0.000 0.876 345 P CB 0.347 31.515 31.700 -0.886 0.000 0.928 346 K N 2.392 122.655 120.400 -0.229 0.000 2.103 346 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 346 K C 1.563 178.083 176.600 -0.134 0.000 1.048 346 K CA 1.674 57.858 56.287 -0.171 0.000 0.930 346 K CB 0.042 32.477 32.500 -0.109 0.000 0.716 346 K HN 0.364 nan 8.250 nan 0.000 0.444 347 E N 0.810 120.953 120.200 -0.096 0.000 2.072 347 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 347 E C 1.858 178.415 176.600 -0.073 0.000 0.985 347 E CA 1.157 57.525 56.400 -0.053 0.000 0.801 347 E CB -0.044 29.657 29.700 0.000 0.000 0.750 347 E HN 0.192 nan 8.360 nan 0.000 0.452 348 E N 0.197 120.314 120.200 -0.138 0.000 2.150 348 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 348 E C 1.790 178.288 176.600 -0.170 0.000 0.985 348 E CA 0.400 56.705 56.400 -0.157 0.000 0.814 348 E CB -0.189 29.286 29.700 -0.376 0.000 0.752 348 E HN 0.212 nan 8.360 nan 0.000 0.466 349 L N 0.047 121.134 121.223 -0.226 0.000 2.046 349 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 349 L C 2.032 178.835 176.870 -0.111 0.000 1.077 349 L CA 1.654 56.378 54.840 -0.194 0.000 0.747 349 L CB -0.487 41.433 42.059 -0.231 0.000 0.896 349 L HN 0.242 nan 8.230 nan 0.000 0.432 350 L N -0.678 120.492 121.223 -0.089 0.000 2.093 350 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 350 L C 2.829 179.685 176.870 -0.023 0.000 1.085 350 L CA 1.458 56.269 54.840 -0.050 0.000 0.755 350 L CB -0.565 41.469 42.059 -0.042 0.000 0.904 350 L HN 0.346 nan 8.230 nan 0.000 0.435 351 R N 0.822 121.310 120.500 -0.020 0.000 2.083 351 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 351 R C 2.276 178.594 176.300 0.031 0.000 1.137 351 R CA 1.751 57.855 56.100 0.007 0.000 0.951 351 R CB -0.279 30.029 30.300 0.014 0.000 0.851 351 R HN 0.304 nan 8.270 nan 0.000 0.434 352 I N 0.538 121.126 120.570 0.030 0.000 2.252 352 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 352 I C 2.348 178.550 176.117 0.142 0.000 1.102 352 I CA 0.928 62.287 61.300 0.098 0.000 1.385 352 I CB -0.216 37.802 38.000 0.030 0.000 1.064 352 I HN 0.234 nan 8.210 nan 0.000 0.414 353 M N 0.192 119.819 119.600 0.044 0.000 2.117 353 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 353 M C 2.362 178.708 176.300 0.077 0.000 1.065 353 M CA 1.731 57.058 55.300 0.044 0.000 1.114 353 M CB -1.294 31.299 32.600 -0.012 0.000 1.361 353 M HN 0.194 nan 8.290 nan 0.000 0.408 354 R N -0.771 119.758 120.500 0.049 0.000 2.092 354 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 354 R C 2.398 178.719 176.300 0.036 0.000 1.119 354 R CA 0.886 57.006 56.100 0.033 0.000 0.970 354 R CB -0.253 30.055 30.300 0.014 0.000 0.864 354 R HN 0.341 nan 8.270 nan 0.000 0.440 355 R N 0.067 120.600 120.500 0.055 0.000 2.083 355 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 355 R C 0.700 176.938 176.300 -0.103 0.000 1.137 355 R CA 1.584 57.673 56.100 -0.019 0.000 0.951 355 R CB -0.086 30.223 30.300 0.015 0.000 0.851 355 R HN 0.227 nan 8.270 nan 0.000 0.434 356 Y N 0.262 120.553 120.300 -0.015 0.000 2.596 356 Y HA 0.244 4.794 4.550 -0.000 0.000 0.316 356 Y C 0.774 176.665 175.900 -0.015 0.000 1.156 356 Y CA 0.181 58.273 58.100 -0.014 0.000 1.300 356 Y CB 0.237 38.687 38.460 -0.017 0.000 1.130 356 Y HN 0.269 nan 8.280 nan 0.000 0.518 357 G N 1.910 110.751 108.800 0.069 0.000 2.266 357 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.269 357 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.269 357 G C 0.553 175.481 174.900 0.047 0.000 0.863 357 G CA 0.418 45.541 45.100 0.039 0.000 1.268 357 G HN 0.575 nan 8.290 nan 0.000 0.426 358 R N -0.099 120.428 120.500 0.046 0.000 2.648 358 R HA 0.438 4.778 4.340 -0.000 0.000 0.341 358 R C -0.213 176.092 176.300 0.009 0.000 1.154 358 R CA -0.599 55.517 56.100 0.027 0.000 1.228 358 R CB 0.125 30.443 30.300 0.030 0.000 1.311 358 R HN 0.319 nan 8.270 nan 0.000 0.659 359 L N 0.000 121.227 121.223 0.006 0.000 2.949 359 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 359 L CA 0.000 54.839 54.840 -0.003 0.000 0.813 359 L CB 0.000 42.057 42.059 -0.002 0.000 0.961 359 L HN 0.000 nan 8.230 nan 0.000 0.502