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 1ox0_1_A DATA FIRST_RESID -5 DATA SEQUENCE PRGSHXMKLN RVVVTGYGVT SPIGNTPEEF WNSLATGKIG IGGITKFDHS DATA SEQUENCE DFDVHNAAEI QDFPFDKYFV KKDTNRFDNY SLYALYAAQE AVNHANLDVE DATA SEQUENCE ALNRDRFGVI VASGIGGIKE IEDQVLRLHE KGPKRVKPMT LPKALPNMAS DATA SEQUENCE GNVAMRFGAN GVCKSINTAC SSSNDAIGDA FRSIKFGFQD VMLVGGTEAS DATA SEQUENCE ITPFAIAGFQ ALTALSTTED PTRASIPFDK DRNGFVMGEG SGMLVLESLE DATA SEQUENCE HAEKRGATIL AEVVGYGNTC DAYHMTSPHP EGQGAIKAIK LALEEAEISP DATA SEQUENCE EQVAYVNAHG TSTPANEKGE SGAIVAVLGK EVPVSSTKSF TGHLLGAAGA DATA SEQUENCE VEAIVTIEAM RHNFVPMTAG TSEVSDYIEA NVVYGQGLEK EIPYAISNTF DATA SEQUENCE GFGGHNAVLA FKRWE 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 -5 P HA 0.000 nan 4.420 nan 0.000 0.216 -5 P C 0.000 177.311 177.300 0.018 0.000 1.155 -5 P CA 0.000 63.110 63.100 0.017 0.000 0.800 -5 P CB 0.000 31.710 31.700 0.017 0.000 0.726 -4 R N 0.374 120.887 120.500 0.021 0.000 2.457 -4 R HA 0.695 5.008 4.340 -0.045 0.000 0.284 -4 R C 0.592 176.909 176.300 0.028 0.000 1.024 -4 R CA 0.062 56.175 56.100 0.022 0.000 1.025 -4 R CB 0.573 30.887 30.300 0.024 0.000 1.063 -4 R HN 0.722 nan 8.270 nan 0.000 0.493 -3 G N 0.840 109.659 108.800 0.031 0.000 2.559 -3 G HA2 -0.012 3.921 3.960 -0.045 0.000 0.235 -3 G HA3 -0.012 3.921 3.960 -0.045 0.000 0.235 -3 G C 0.732 175.671 174.900 0.065 0.000 1.266 -3 G CA 0.089 45.221 45.100 0.053 0.000 0.847 -3 G HN 0.825 nan 8.290 nan 0.000 0.583 -2 S N 0.334 116.097 115.700 0.106 0.000 2.423 -2 S HA -0.021 4.422 4.470 -0.045 0.000 0.231 -2 S C 0.856 175.443 174.600 -0.022 0.000 1.014 -2 S CA 0.708 58.961 58.200 0.087 0.000 0.965 -2 S CB -0.259 63.051 63.200 0.184 0.000 0.785 -2 S HN 0.704 nan 8.310 nan 0.000 0.495 2 K N 4.999 125.393 120.400 -0.009 0.000 2.316 2 K HA 0.521 4.814 4.320 -0.045 0.000 0.289 2 K C -0.722 175.812 176.600 -0.109 0.000 1.070 2 K CA -0.374 55.889 56.287 -0.040 0.000 0.928 2 K CB 0.561 33.043 32.500 -0.030 0.000 1.039 2 K HN 0.752 nan 8.250 nan 0.000 0.480 3 L N 3.914 125.045 121.223 -0.153 0.000 2.461 3 L HA 0.073 4.386 4.340 -0.045 0.000 0.272 3 L C 0.120 176.887 176.870 -0.172 0.000 1.197 3 L CA -0.041 54.640 54.840 -0.265 0.000 0.836 3 L CB 0.460 42.347 42.059 -0.287 0.000 1.105 3 L HN 0.729 nan 8.230 nan 0.000 0.477 4 N N 1.340 119.924 118.700 -0.193 0.000 2.430 4 N HA 0.483 5.196 4.740 -0.045 0.000 0.298 4 N C -0.896 174.578 175.510 -0.061 0.000 1.130 4 N CA -0.924 52.066 53.050 -0.100 0.000 0.894 4 N CB 1.340 39.774 38.487 -0.089 0.000 1.209 4 N HN 0.447 nan 8.380 nan 0.000 0.503 5 R N 0.373 120.878 120.500 0.008 0.000 2.528 5 R HA 0.575 4.888 4.340 -0.045 0.000 0.271 5 R C -0.881 175.462 176.300 0.071 0.000 1.056 5 R CA -0.615 55.528 56.100 0.073 0.000 1.117 5 R CB 0.858 31.222 30.300 0.108 0.000 1.085 5 R HN 0.228 nan 8.270 nan 0.000 0.530 6 V N 2.730 122.724 119.914 0.133 0.000 2.577 6 V HA 0.394 4.487 4.120 -0.045 0.000 0.303 6 V C -0.403 175.738 176.094 0.078 0.000 1.042 6 V CA -0.787 61.594 62.300 0.134 0.000 0.872 6 V CB 1.693 33.703 31.823 0.310 0.000 0.998 6 V HN 0.617 nan 8.190 nan 0.000 0.423 7 V N 2.617 122.520 119.914 -0.018 0.000 3.001 7 V HA 0.826 4.919 4.120 -0.045 0.000 0.314 7 V C -0.569 175.481 176.094 -0.073 0.000 1.099 7 V CA -0.899 61.331 62.300 -0.117 0.000 0.989 7 V CB 2.175 33.777 31.823 -0.368 0.000 1.040 7 V HN 0.473 nan 8.190 nan 0.000 0.434 8 V N 2.779 122.652 119.914 -0.069 0.000 2.370 8 V HA 0.454 4.547 4.120 -0.045 0.000 0.279 8 V C 1.252 177.279 176.094 -0.112 0.000 1.029 8 V CA 0.569 62.859 62.300 -0.018 0.000 0.870 8 V CB 1.015 32.893 31.823 0.091 0.000 0.984 8 V HN 1.184 nan 8.190 nan 0.000 0.451 9 T N 0.207 114.680 114.554 -0.134 0.000 3.010 9 T HA 0.502 4.825 4.350 -0.045 0.000 0.257 9 T C 0.601 175.098 174.700 -0.339 0.000 1.020 9 T CA 0.392 62.355 62.100 -0.230 0.000 0.938 9 T CB 0.626 69.376 68.868 -0.197 0.000 1.049 9 T HN 1.058 nan 8.240 nan 0.000 0.522 10 G N 0.524 109.161 108.800 -0.272 0.000 2.547 10 G HA2 0.548 4.481 3.960 -0.045 0.000 0.291 10 G HA3 0.548 4.481 3.960 -0.045 0.000 0.291 10 G C -2.080 172.803 174.900 -0.028 0.000 1.471 10 G CA -1.013 43.867 45.100 -0.366 0.000 0.798 10 G HN 0.438 nan 8.290 nan 0.000 0.504 11 Y N -1.825 118.671 120.300 0.326 0.000 2.638 11 Y HA 0.872 5.399 4.550 -0.038 0.000 0.335 11 Y C 0.103 176.010 175.900 0.011 0.000 1.155 11 Y CA -1.353 56.806 58.100 0.097 0.000 1.046 11 Y CB 1.224 39.703 38.460 0.033 0.000 1.303 11 Y HN 1.150 nan 8.280 nan 0.000 0.460 12 G N -0.034 108.866 108.800 0.166 0.000 2.659 12 G HA2 0.641 4.574 3.960 -0.045 0.000 0.296 12 G HA3 0.641 4.574 3.960 -0.045 0.000 0.296 12 G C -2.218 172.716 174.900 0.056 0.000 1.369 12 G CA -1.170 43.961 45.100 0.053 0.000 0.937 12 G HN 1.203 nan 8.290 nan 0.000 0.485 13 V N -0.125 119.834 119.914 0.076 0.000 2.891 13 V HA 0.833 4.926 4.120 -0.045 0.000 0.304 13 V C -1.068 175.175 176.094 0.247 0.000 1.171 13 V CA -0.337 61.995 62.300 0.054 0.000 0.943 13 V CB 2.258 33.937 31.823 -0.241 0.000 1.037 13 V HN 1.062 nan 8.190 nan 0.000 0.427 14 T N 4.235 118.925 114.554 0.226 0.000 2.841 14 T HA 0.844 5.167 4.350 -0.045 0.000 0.285 14 T C -0.669 174.046 174.700 0.024 0.000 0.991 14 T CA 0.415 62.610 62.100 0.159 0.000 0.966 14 T CB 1.058 70.027 68.868 0.169 0.000 0.962 14 T HN 1.739 nan 8.240 nan 0.000 0.438 15 S N 4.109 119.842 115.700 0.055 0.000 2.611 15 S HA 0.575 5.018 4.470 -0.045 0.000 0.268 15 S C -2.772 171.881 174.600 0.088 0.000 1.156 15 S CA -1.075 57.174 58.200 0.082 0.000 0.817 15 S CB 1.284 64.632 63.200 0.246 0.000 1.122 15 S HN 0.389 nan 8.310 nan 0.000 0.466 16 P HA 0.168 nan 4.420 nan 0.000 0.234 16 P C 0.949 178.298 177.300 0.082 0.000 1.167 16 P CA 0.621 63.763 63.100 0.070 0.000 0.763 16 P CB -0.302 31.438 31.700 0.067 0.000 0.835 17 I N -6.444 114.193 120.570 0.112 0.000 4.081 17 I HA 0.590 4.733 4.170 -0.045 0.000 0.333 17 I C 0.394 176.573 176.117 0.103 0.000 1.413 17 I CA -0.375 60.961 61.300 0.060 0.000 1.110 17 I CB 0.606 38.575 38.000 -0.052 0.000 1.082 17 I HN -0.165 nan 8.210 nan 0.000 0.402 18 G N 1.328 110.239 108.800 0.185 0.000 2.350 18 G HA2 0.044 3.977 3.960 -0.045 0.000 0.305 18 G HA3 0.044 3.977 3.960 -0.045 0.000 0.305 18 G C -1.128 173.905 174.900 0.223 0.000 1.479 18 G CA -0.598 44.620 45.100 0.198 0.000 0.949 18 G HN 0.052 nan 8.290 nan 0.000 0.651 19 N N -0.123 118.688 118.700 0.184 0.000 2.238 19 N HA 0.215 4.928 4.740 -0.045 0.000 0.235 19 N C 0.261 175.928 175.510 0.261 0.000 1.209 19 N CA 0.699 53.879 53.050 0.216 0.000 0.879 19 N CB 1.658 40.215 38.487 0.117 0.000 1.136 19 N HN 1.012 nan 8.380 nan 0.000 0.517 20 T N -3.545 111.123 114.554 0.190 0.000 2.900 20 T HA 0.407 4.730 4.350 -0.045 0.000 0.303 20 T C -2.490 172.297 174.700 0.145 0.000 1.142 20 T CA -1.580 60.596 62.100 0.127 0.000 1.007 20 T CB 2.919 71.840 68.868 0.088 0.000 1.156 20 T HN -0.372 nan 8.240 nan 0.000 0.490 21 P HA -0.089 nan 4.420 nan 0.000 0.216 21 P C 1.262 178.731 177.300 0.282 0.000 1.150 21 P CA 1.206 64.422 63.100 0.194 0.000 0.843 21 P CB 0.148 31.927 31.700 0.131 0.000 0.787 22 E N -0.355 119.954 120.200 0.182 0.000 2.051 22 E HA -0.191 4.132 4.350 -0.045 0.000 0.192 22 E C 2.012 178.732 176.600 0.200 0.000 0.991 22 E CA 1.009 57.526 56.400 0.195 0.000 0.799 22 E CB -0.386 29.384 29.700 0.117 0.000 0.748 22 E HN 0.423 nan 8.360 nan 0.000 0.449 23 E N 0.221 120.523 120.200 0.170 0.000 2.077 23 E HA -0.180 4.143 4.350 -0.045 0.000 0.193 23 E C 1.875 178.563 176.600 0.147 0.000 0.989 23 E CA 0.799 57.280 56.400 0.135 0.000 0.800 23 E CB -0.169 29.608 29.700 0.129 0.000 0.746 23 E HN 0.167 nan 8.360 nan 0.000 0.452 24 F N 1.045 121.033 119.950 0.064 0.000 2.069 24 F HA -0.239 4.262 4.527 -0.044 0.000 0.298 24 F C 2.171 177.968 175.800 -0.005 0.000 1.113 24 F CA 1.633 59.655 58.000 0.036 0.000 1.214 24 F CB -0.276 38.770 39.000 0.078 0.000 0.978 24 F HN 0.168 nan 8.300 nan 0.000 0.474 25 W N 1.355 122.689 121.300 0.057 0.000 2.358 25 W HA -0.289 4.345 4.660 -0.042 0.000 0.303 25 W C 2.121 178.504 176.519 -0.226 0.000 1.208 25 W CA 1.829 59.090 57.345 -0.139 0.000 1.274 25 W CB -0.901 28.503 29.460 -0.092 0.000 1.138 25 W HN 0.198 nan 8.180 nan 0.000 0.515 26 N N 0.277 118.907 118.700 -0.117 0.000 2.104 26 N HA -0.185 4.528 4.740 -0.045 0.000 0.190 26 N C 1.873 177.200 175.510 -0.305 0.000 1.024 26 N CA 2.657 55.588 53.050 -0.198 0.000 0.853 26 N CB -0.560 37.903 38.487 -0.040 0.000 1.008 26 N HN -0.107 nan 8.380 nan 0.000 0.424 27 S N 0.023 115.553 115.700 -0.284 0.000 2.368 27 S HA -0.062 4.381 4.470 -0.045 0.000 0.225 27 S C 1.884 176.236 174.600 -0.412 0.000 1.030 27 S CA 0.951 58.997 58.200 -0.257 0.000 0.999 27 S CB -0.359 62.713 63.200 -0.213 0.000 0.844 27 S HN 0.320 nan 8.310 nan 0.000 0.459 28 L N 1.077 121.799 121.223 -0.836 0.000 2.046 28 L HA -0.134 4.179 4.340 -0.045 0.000 0.208 28 L C 2.731 179.148 176.870 -0.755 0.000 1.077 28 L CA 1.335 55.479 54.840 -1.160 0.000 0.747 28 L CB -0.685 40.562 42.059 -1.353 0.000 0.896 28 L HN 0.327 nan 8.230 nan 0.000 0.432 29 A N -0.333 121.947 122.820 -0.900 0.000 2.066 29 A HA -0.122 4.171 4.320 -0.045 0.000 0.218 29 A C 2.223 179.612 177.584 -0.326 0.000 1.157 29 A CA 1.780 53.404 52.037 -0.689 0.000 0.670 29 A CB -0.621 17.912 19.000 -0.778 0.000 0.804 29 A HN 0.534 nan 8.150 nan 0.000 0.453 30 T N -5.378 109.041 114.554 -0.226 0.000 3.023 30 T HA 0.420 4.743 4.350 -0.045 0.000 0.253 30 T C 1.247 175.940 174.700 -0.012 0.000 1.038 30 T CA 1.015 63.054 62.100 -0.101 0.000 0.962 30 T CB 0.236 69.051 68.868 -0.088 0.000 1.018 30 T HN 1.620 nan 8.240 nan 0.000 0.521 31 G N 1.919 110.769 108.800 0.085 0.000 2.160 31 G HA2 -0.224 3.709 3.960 -0.045 0.000 0.244 31 G HA3 -0.224 3.709 3.960 -0.045 0.000 0.244 31 G C -0.261 174.707 174.900 0.114 0.000 1.022 31 G CA -0.182 45.027 45.100 0.182 0.000 0.741 31 G HN 0.627 nan 8.290 nan 0.000 0.508 32 K N 0.811 121.318 120.400 0.179 0.000 2.268 32 K HA 0.525 4.818 4.320 -0.045 0.000 0.276 32 K C 1.298 177.992 176.600 0.157 0.000 1.080 32 K CA -0.604 55.733 56.287 0.082 0.000 0.910 32 K CB 1.060 33.579 32.500 0.033 0.000 1.163 32 K HN 0.604 nan 8.250 nan 0.000 0.465 33 I N -1.630 118.938 120.570 -0.003 0.000 3.079 33 I HA 0.325 4.469 4.170 -0.045 0.000 0.295 33 I C 0.826 176.963 176.117 0.033 0.000 1.094 33 I CA -0.208 61.083 61.300 -0.014 0.000 1.295 33 I CB 1.010 38.895 38.000 -0.191 0.000 1.443 33 I HN 0.560 nan 8.210 nan 0.000 0.607 34 G N 3.993 112.823 108.800 0.049 0.000 3.324 34 G HA2 0.344 4.277 3.960 -0.045 0.000 0.251 34 G HA3 0.344 4.277 3.960 -0.045 0.000 0.251 34 G C 0.326 175.238 174.900 0.020 0.000 1.072 34 G CA -0.242 44.883 45.100 0.041 0.000 0.787 34 G HN 0.495 nan 8.290 nan 0.000 0.537 35 I N 1.275 121.845 120.570 -0.001 0.000 2.428 35 I HA 0.585 4.728 4.170 -0.045 0.000 0.289 35 I C 0.849 176.951 176.117 -0.025 0.000 1.019 35 I CA -0.010 61.283 61.300 -0.012 0.000 1.351 35 I CB 1.667 39.653 38.000 -0.022 0.000 1.412 35 I HN 0.109 nan 8.210 nan 0.000 0.513 36 G N 3.244 112.025 108.800 -0.033 0.000 2.619 36 G HA2 0.522 4.455 3.960 -0.045 0.000 0.305 36 G HA3 0.522 4.455 3.960 -0.045 0.000 0.305 36 G C -0.710 174.150 174.900 -0.067 0.000 1.330 36 G CA -0.562 44.514 45.100 -0.040 0.000 0.789 36 G HN 0.770 nan 8.290 nan 0.000 0.487 37 G N -0.744 108.018 108.800 -0.065 0.000 2.432 37 G HA2 0.428 4.361 3.960 -0.045 0.000 0.239 37 G HA3 0.428 4.361 3.960 -0.045 0.000 0.239 37 G C 0.301 175.109 174.900 -0.155 0.000 1.291 37 G CA -0.316 44.720 45.100 -0.106 0.000 0.863 37 G HN 0.608 nan 8.290 nan 0.000 0.560 38 I N 1.198 121.565 120.570 -0.339 0.000 2.648 38 I HA 0.056 4.199 4.170 -0.045 0.000 0.284 38 I C 1.732 177.757 176.117 -0.153 0.000 1.153 38 I CA 0.615 61.701 61.300 -0.357 0.000 1.426 38 I CB 1.241 38.810 38.000 -0.719 0.000 1.381 38 I HN 0.702 nan 8.210 nan 0.000 0.571 39 T N 0.800 115.284 114.554 -0.116 0.000 2.975 39 T HA 0.163 4.486 4.350 -0.045 0.000 0.261 39 T C 1.283 175.961 174.700 -0.036 0.000 0.984 39 T CA -0.339 61.737 62.100 -0.041 0.000 0.911 39 T CB 0.122 68.986 68.868 -0.006 0.000 1.127 39 T HN 0.489 nan 8.240 nan 0.000 0.514 40 K N 0.692 121.055 120.400 -0.062 0.000 2.366 40 K HA 0.260 4.554 4.320 -0.045 0.000 0.198 40 K C -0.008 176.710 176.600 0.197 0.000 1.044 40 K CA 0.651 56.984 56.287 0.075 0.000 0.973 40 K CB 0.014 32.605 32.500 0.151 0.000 0.767 40 K HN 0.667 nan 8.250 nan 0.000 0.475 41 F N -2.384 117.590 119.950 0.039 0.000 2.711 41 F HA 0.321 4.821 4.527 -0.045 0.000 0.313 41 F C -1.246 174.581 175.800 0.044 0.000 1.141 41 F CA -1.887 56.131 58.000 0.029 0.000 0.941 41 F CB 0.614 39.614 39.000 0.001 0.000 1.349 41 F HN -0.339 nan 8.300 nan 0.000 0.464 42 D N 0.973 121.519 120.400 0.243 0.000 2.338 42 D HA 0.119 4.732 4.640 -0.045 0.000 0.255 42 D C 0.268 176.691 176.300 0.205 0.000 1.237 42 D CA 0.233 54.285 54.000 0.086 0.000 0.883 42 D CB 0.250 41.112 40.800 0.104 0.000 1.087 42 D HN 0.777 nan 8.370 nan 0.000 0.485 43 H N 0.337 119.440 119.070 0.056 0.000 2.542 43 H HA 0.198 4.727 4.556 -0.045 0.000 0.283 43 H C 1.588 177.156 175.328 0.399 0.000 1.059 43 H CA 0.242 56.350 56.048 0.100 0.000 1.162 43 H CB 0.030 29.625 29.762 -0.280 0.000 1.539 43 H HN 0.208 nan 8.280 nan 0.000 0.543 44 S N 0.083 115.843 115.700 0.101 0.000 2.387 44 S HA -0.313 4.130 4.470 -0.045 0.000 0.230 44 S C 1.626 176.405 174.600 0.298 0.000 1.035 44 S CA 1.809 60.102 58.200 0.156 0.000 1.014 44 S CB -0.339 62.879 63.200 0.031 0.000 0.836 44 S HN 0.525 nan 8.310 nan 0.000 0.466 45 D N -0.286 120.315 120.400 0.334 0.000 2.340 45 D HA 0.240 4.853 4.640 -0.045 0.000 0.220 45 D C -0.225 176.145 176.300 0.115 0.000 1.039 45 D CA -0.163 53.946 54.000 0.181 0.000 0.866 45 D CB -0.068 40.765 40.800 0.055 0.000 0.913 45 D HN 0.337 nan 8.370 nan 0.000 0.523 46 F N -0.072 119.963 119.950 0.143 0.000 2.380 46 F HA 0.280 4.780 4.527 -0.044 0.000 0.319 46 F C 1.450 177.202 175.800 -0.080 0.000 1.113 46 F CA -0.783 57.232 58.000 0.026 0.000 1.056 46 F CB 0.888 39.902 39.000 0.024 0.000 1.289 46 F HN -0.266 nan 8.300 nan 0.000 0.515 47 D N -0.430 119.992 120.400 0.036 0.000 2.367 47 D HA 0.125 4.738 4.640 -0.045 0.000 0.207 47 D C -0.516 175.666 176.300 -0.197 0.000 1.034 47 D CA 0.716 54.699 54.000 -0.028 0.000 0.861 47 D CB 0.405 41.211 40.800 0.009 0.000 0.943 47 D HN -0.008 nan 8.370 nan 0.000 0.515 48 V N 1.166 120.898 119.914 -0.302 0.000 2.448 48 V HA 0.231 4.324 4.120 -0.045 0.000 0.295 48 V C 0.126 175.870 176.094 -0.584 0.000 1.025 48 V CA -0.595 61.520 62.300 -0.308 0.000 0.859 48 V CB 1.705 33.452 31.823 -0.128 0.000 0.988 48 V HN 0.239 nan 8.190 nan 0.000 0.431 49 H N 2.184 121.177 119.070 -0.128 0.000 3.233 49 H HA 0.360 4.889 4.556 -0.045 0.000 0.263 49 H C -0.172 174.881 175.328 -0.459 0.000 1.168 49 H CA -0.239 55.583 56.048 -0.376 0.000 1.159 49 H CB 0.928 30.608 29.762 -0.137 0.000 1.593 49 H HN 0.495 nan 8.280 nan 0.000 0.580 50 N N 0.887 119.463 118.700 -0.207 0.000 2.292 50 N HA 0.654 5.367 4.740 -0.045 0.000 0.303 50 N C -0.583 174.839 175.510 -0.147 0.000 1.140 50 N CA -0.252 52.701 53.050 -0.163 0.000 0.788 50 N CB 2.983 41.421 38.487 -0.082 0.000 1.361 50 N HN 0.209 nan 8.380 nan 0.000 0.489 51 A N -0.228 122.527 122.820 -0.108 0.000 2.586 51 A HA 0.778 5.071 4.320 -0.045 0.000 0.290 51 A C -1.657 175.916 177.584 -0.018 0.000 1.086 51 A CA -0.680 51.327 52.037 -0.051 0.000 0.665 51 A CB 0.910 19.877 19.000 -0.056 0.000 1.279 51 A HN 0.595 nan 8.150 nan 0.000 0.423 52 A N 0.979 123.812 122.820 0.022 0.000 2.322 52 A HA 0.634 4.927 4.320 -0.045 0.000 0.327 52 A C -0.213 177.394 177.584 0.037 0.000 1.394 52 A CA -0.234 51.823 52.037 0.033 0.000 0.921 52 A CB -0.179 18.857 19.000 0.059 0.000 1.153 52 A HN 0.664 nan 8.150 nan 0.000 0.523 53 E N 1.542 121.756 120.200 0.024 0.000 2.227 53 E HA 0.441 4.765 4.350 -0.045 0.000 0.268 53 E C -0.838 175.777 176.600 0.025 0.000 0.990 53 E CA -0.669 55.749 56.400 0.030 0.000 0.856 53 E CB 1.857 31.572 29.700 0.024 0.000 1.159 53 E HN 0.644 nan 8.360 nan 0.000 0.401 54 I N 2.634 123.210 120.570 0.009 0.000 2.291 54 I HA 0.013 4.156 4.170 -0.045 0.000 0.292 54 I C 0.864 177.020 176.117 0.064 0.000 1.064 54 I CA 0.301 61.605 61.300 0.007 0.000 1.269 54 I CB 0.347 38.283 38.000 -0.106 0.000 1.418 54 I HN 0.403 nan 8.210 nan 0.000 0.485 55 Q N 3.607 123.446 119.800 0.066 0.000 2.282 55 Q HA 0.017 4.330 4.340 -0.045 0.000 0.206 55 Q C -0.128 175.924 176.000 0.087 0.000 0.878 55 Q CA 0.209 56.055 55.803 0.072 0.000 0.944 55 Q CB 0.416 29.182 28.738 0.047 0.000 1.100 55 Q HN 0.720 nan 8.270 nan 0.000 0.509 56 D N -0.913 119.547 120.400 0.100 0.000 2.819 56 D HA -0.007 4.606 4.640 -0.045 0.000 0.326 56 D C -0.446 175.922 176.300 0.113 0.000 1.408 56 D CA -0.681 53.372 54.000 0.089 0.000 0.811 56 D CB -0.693 40.139 40.800 0.053 0.000 1.148 56 D HN -0.073 nan 8.370 nan 0.000 0.457 57 F N 2.939 122.901 119.950 0.020 0.000 2.602 57 F HA 0.233 4.733 4.527 -0.045 0.000 0.385 57 F C -1.837 173.979 175.800 0.027 0.000 1.063 57 F CA -1.883 56.116 58.000 -0.002 0.000 1.233 57 F CB 0.722 39.799 39.000 0.129 0.000 1.067 57 F HN -0.140 nan 8.300 nan 0.000 0.564 58 P HA 0.049 nan 4.420 nan 0.000 0.220 58 P C 0.709 177.662 177.300 -0.577 0.000 1.806 58 P CA 0.161 62.955 63.100 -0.509 0.000 0.976 58 P CB -0.563 30.907 31.700 -0.383 0.000 1.952 59 F N 2.077 121.750 119.950 -0.461 0.000 2.120 59 F HA -0.240 4.261 4.527 -0.043 0.000 0.300 59 F C 1.380 177.200 175.800 0.033 0.000 1.095 59 F CA 1.847 59.835 58.000 -0.019 0.000 1.249 59 F CB -0.096 39.053 39.000 0.248 0.000 0.995 59 F HN 0.031 nan 8.300 nan 0.000 0.480 60 D N 0.017 120.468 120.400 0.086 0.000 2.348 60 D HA -0.129 4.485 4.640 -0.045 0.000 0.216 60 D C 2.089 178.270 176.300 -0.200 0.000 0.970 60 D CA 0.617 54.624 54.000 0.011 0.000 0.889 60 D CB -0.285 40.553 40.800 0.064 0.000 0.912 60 D HN 0.375 nan 8.370 nan 0.000 0.524 61 K N -0.437 119.750 120.400 -0.356 0.000 2.026 61 K HA -0.148 4.145 4.320 -0.045 0.000 0.208 61 K C 1.085 177.228 176.600 -0.763 0.000 1.048 61 K CA 1.276 57.205 56.287 -0.596 0.000 0.929 61 K CB 0.073 32.103 32.500 -0.784 0.000 0.713 61 K HN 0.243 nan 8.250 nan 0.000 0.439 62 Y N -2.031 117.967 120.300 -0.504 0.000 2.430 62 Y HA 0.253 4.775 4.550 -0.046 0.000 0.254 62 Y C 0.102 175.554 175.900 -0.746 0.000 1.088 62 Y CA -1.055 56.626 58.100 -0.697 0.000 1.267 62 Y CB 0.693 38.586 38.460 -0.945 0.000 1.204 62 Y HN -0.153 nan 8.280 nan 0.000 0.515 63 F N 0.135 119.959 119.950 -0.210 0.000 2.575 63 F HA 0.617 5.118 4.527 -0.043 0.000 0.330 63 F C -0.007 175.631 175.800 -0.271 0.000 1.056 63 F CA -1.645 56.128 58.000 -0.379 0.000 0.964 63 F CB 1.591 40.009 39.000 -0.970 0.000 1.258 63 F HN -0.384 nan 8.300 nan 0.000 0.484 64 V N -1.082 118.937 119.914 0.175 0.000 3.126 64 V HA 0.473 4.567 4.120 -0.045 0.000 0.314 64 V C 0.624 177.001 176.094 0.472 0.000 1.138 64 V CA -1.091 61.387 62.300 0.297 0.000 1.034 64 V CB 1.822 33.756 31.823 0.184 0.000 1.075 64 V HN 0.858 nan 8.190 nan 0.000 0.442 65 K N 0.649 121.289 120.400 0.401 0.000 2.074 65 K HA -0.173 4.120 4.320 -0.045 0.000 0.209 65 K C 1.836 178.577 176.600 0.235 0.000 1.048 65 K CA 2.330 58.803 56.287 0.310 0.000 0.926 65 K CB -0.183 32.411 32.500 0.157 0.000 0.713 65 K HN 0.779 nan 8.250 nan 0.000 0.444 66 K N 0.379 120.882 120.400 0.171 0.000 2.280 66 K HA -0.118 4.175 4.320 -0.045 0.000 0.202 66 K C 1.429 178.076 176.600 0.078 0.000 1.047 66 K CA 1.309 57.654 56.287 0.098 0.000 0.942 66 K CB 0.020 32.557 32.500 0.062 0.000 0.739 66 K HN 0.253 nan 8.250 nan 0.000 0.457 67 D N 0.189 120.687 120.400 0.164 0.000 2.263 67 D HA -0.123 4.490 4.640 -0.045 0.000 0.208 67 D C 1.864 178.215 176.300 0.086 0.000 0.971 67 D CA 1.514 55.582 54.000 0.114 0.000 0.867 67 D CB -0.225 40.746 40.800 0.285 0.000 0.929 67 D HN 0.365 nan 8.370 nan 0.000 0.492 68 T N -1.399 113.260 114.554 0.175 0.000 3.007 68 T HA -0.081 4.243 4.350 -0.045 0.000 0.270 68 T C 1.492 176.198 174.700 0.010 0.000 1.107 68 T CA 0.547 62.712 62.100 0.108 0.000 1.118 68 T CB -0.051 68.874 68.868 0.094 0.000 0.889 68 T HN -0.060 nan 8.240 nan 0.000 0.506 69 N N 1.354 120.037 118.700 -0.029 0.000 2.331 69 N HA 0.004 4.717 4.740 -0.045 0.000 0.180 69 N C 1.865 177.296 175.510 -0.132 0.000 1.019 69 N CA 0.825 53.836 53.050 -0.064 0.000 0.881 69 N CB -0.218 38.234 38.487 -0.058 0.000 0.972 69 N HN 0.557 nan 8.380 nan 0.000 0.435 70 R N -0.861 119.478 120.500 -0.269 0.000 2.250 70 R HA 0.207 4.520 4.340 -0.045 0.000 0.194 70 R C -0.452 175.586 176.300 -0.437 0.000 0.927 70 R CA 0.163 55.976 56.100 -0.479 0.000 1.052 70 R CB 0.521 30.305 30.300 -0.861 0.000 1.055 70 R HN -0.025 nan 8.270 nan 0.000 0.537 71 F N 0.999 120.923 119.950 -0.044 0.000 2.507 71 F HA 0.259 4.759 4.527 -0.044 0.000 0.328 71 F C -0.232 175.522 175.800 -0.077 0.000 1.136 71 F CA -1.418 56.527 58.000 -0.090 0.000 0.930 71 F CB 1.756 40.646 39.000 -0.183 0.000 1.166 71 F HN -0.037 nan 8.300 nan 0.000 0.436 72 D N 1.567 122.052 120.400 0.141 0.000 2.361 72 D HA 0.014 4.628 4.640 -0.045 0.000 0.239 72 D C 1.095 177.357 176.300 -0.062 0.000 1.200 72 D CA 0.119 54.167 54.000 0.080 0.000 0.915 72 D CB 0.763 41.682 40.800 0.199 0.000 1.170 72 D HN 0.383 nan 8.370 nan 0.000 0.444 73 N N 0.444 119.039 118.700 -0.175 0.000 2.205 73 N HA -0.233 4.480 4.740 -0.045 0.000 0.186 73 N C 1.456 176.536 175.510 -0.717 0.000 1.015 73 N CA 1.062 53.778 53.050 -0.558 0.000 0.862 73 N CB -0.529 37.560 38.487 -0.663 0.000 0.986 73 N HN 0.610 nan 8.380 nan 0.000 0.429 74 Y N 0.235 120.294 120.300 -0.400 0.000 2.274 74 Y HA -0.040 4.484 4.550 -0.044 0.000 0.290 74 Y C 2.136 177.945 175.900 -0.153 0.000 1.145 74 Y CA 1.325 59.285 58.100 -0.232 0.000 1.203 74 Y CB -0.453 37.965 38.460 -0.070 0.000 0.984 74 Y HN -0.099 nan 8.280 nan 0.000 0.533 75 S N 0.973 116.210 115.700 -0.772 0.000 2.377 75 S HA -0.023 4.420 4.470 -0.045 0.000 0.223 75 S C 1.916 176.241 174.600 -0.459 0.000 1.030 75 S CA 1.078 58.873 58.200 -0.675 0.000 0.970 75 S CB -0.458 62.430 63.200 -0.520 0.000 0.830 75 S HN 0.485 nan 8.310 nan 0.000 0.473 76 L N 0.269 121.230 121.223 -0.435 0.000 2.013 76 L HA -0.199 4.114 4.340 -0.045 0.000 0.212 76 L C 2.205 179.161 176.870 0.143 0.000 1.073 76 L CA 1.676 56.318 54.840 -0.331 0.000 0.753 76 L CB -0.793 41.065 42.059 -0.334 0.000 0.890 76 L HN 0.429 nan 8.230 nan 0.000 0.432 77 Y N -0.460 119.790 120.300 -0.084 0.000 2.181 77 Y HA -0.271 4.252 4.550 -0.046 0.000 0.288 77 Y C 2.723 178.740 175.900 0.196 0.000 1.146 77 Y CA 0.258 58.386 58.100 0.047 0.000 1.164 77 Y CB -0.340 38.081 38.460 -0.065 0.000 0.982 77 Y HN 0.212 nan 8.280 nan 0.000 0.515 78 A N 0.358 123.298 122.820 0.199 0.000 1.898 78 A HA -0.137 4.156 4.320 -0.045 0.000 0.216 78 A C 2.178 179.856 177.584 0.157 0.000 1.181 78 A CA 1.237 53.352 52.037 0.131 0.000 0.620 78 A CB -0.973 18.020 19.000 -0.011 0.000 0.819 78 A HN 0.448 nan 8.150 nan 0.000 0.442 79 L N -2.136 119.169 121.223 0.136 0.000 2.056 79 L HA -0.182 4.131 4.340 -0.045 0.000 0.207 79 L C 2.575 179.616 176.870 0.285 0.000 1.078 79 L CA 1.808 56.749 54.840 0.169 0.000 0.749 79 L CB -0.650 41.458 42.059 0.082 0.000 0.901 79 L HN 0.611 nan 8.230 nan 0.000 0.433 80 Y N 0.700 121.242 120.300 0.403 0.000 2.097 80 Y HA -0.322 4.203 4.550 -0.041 0.000 0.282 80 Y C 2.488 178.533 175.900 0.242 0.000 1.152 80 Y CA 1.646 59.974 58.100 0.380 0.000 1.136 80 Y CB -0.301 38.547 38.460 0.646 0.000 0.975 80 Y HN 0.097 nan 8.280 nan 0.000 0.498 81 A N 0.544 123.565 122.820 0.336 0.000 1.933 81 A HA -0.102 4.191 4.320 -0.045 0.000 0.218 81 A C 2.383 179.981 177.584 0.023 0.000 1.175 81 A CA 1.823 53.952 52.037 0.153 0.000 0.628 81 A CB -1.497 17.635 19.000 0.220 0.000 0.814 81 A HN 0.655 nan 8.150 nan 0.000 0.444 82 A N -0.933 121.922 122.820 0.058 0.000 1.898 82 A HA -0.174 4.119 4.320 -0.045 0.000 0.216 82 A C 2.156 179.690 177.584 -0.083 0.000 1.181 82 A CA 2.058 54.094 52.037 -0.002 0.000 0.620 82 A CB -0.515 18.561 19.000 0.127 0.000 0.819 82 A HN 0.525 nan 8.150 nan 0.000 0.442 83 Q N -0.055 119.742 119.800 -0.006 0.000 2.084 83 Q HA -0.171 4.142 4.340 -0.045 0.000 0.202 83 Q C 1.901 177.785 176.000 -0.193 0.000 0.978 83 Q CA 1.964 57.703 55.803 -0.107 0.000 0.844 83 Q CB -0.248 28.119 28.738 -0.618 0.000 0.898 83 Q HN 0.639 nan 8.270 nan 0.000 0.426 84 E N -0.094 119.965 120.200 -0.235 0.000 2.085 84 E HA -0.197 4.127 4.350 -0.045 0.000 0.194 84 E C 1.851 178.396 176.600 -0.092 0.000 0.994 84 E CA 1.238 57.537 56.400 -0.170 0.000 0.801 84 E CB -0.419 29.128 29.700 -0.255 0.000 0.743 84 E HN 0.491 nan 8.360 nan 0.000 0.453 85 A N 1.083 123.854 122.820 -0.082 0.000 1.902 85 A HA -0.127 4.166 4.320 -0.045 0.000 0.217 85 A C 2.645 180.173 177.584 -0.093 0.000 1.181 85 A CA 1.369 53.381 52.037 -0.041 0.000 0.623 85 A CB -0.698 18.283 19.000 -0.032 0.000 0.818 85 A HN 0.129 nan 8.150 nan 0.000 0.443 86 V N 1.107 120.911 119.914 -0.183 0.000 2.287 86 V HA -0.294 3.799 4.120 -0.045 0.000 0.248 86 V C 2.345 178.372 176.094 -0.112 0.000 1.053 86 V CA 2.254 64.428 62.300 -0.210 0.000 1.027 86 V CB -1.028 30.585 31.823 -0.350 0.000 0.646 86 V HN 0.568 nan 8.190 nan 0.000 0.447 87 N N -0.470 118.189 118.700 -0.068 0.000 2.069 87 N HA -0.203 4.510 4.740 -0.045 0.000 0.191 87 N C 1.854 177.361 175.510 -0.004 0.000 1.031 87 N CA 1.885 54.920 53.050 -0.026 0.000 0.852 87 N CB -0.725 37.760 38.487 -0.003 0.000 1.018 87 N HN 0.678 nan 8.380 nan 0.000 0.423 88 H N 0.142 119.131 119.070 -0.133 0.000 2.352 88 H HA -0.026 4.505 4.556 -0.041 0.000 0.299 88 H C 1.405 176.628 175.328 -0.176 0.000 1.097 88 H CA 1.331 57.277 56.048 -0.169 0.000 1.311 88 H CB 0.166 29.786 29.762 -0.236 0.000 1.377 88 H HN 0.250 nan 8.280 nan 0.000 0.504 89 A N 0.628 123.333 122.820 -0.192 0.000 2.206 89 A HA -0.113 4.180 4.320 -0.045 0.000 0.211 89 A C 1.095 178.572 177.584 -0.178 0.000 1.158 89 A CA 0.774 52.664 52.037 -0.244 0.000 0.761 89 A CB -0.317 18.565 19.000 -0.197 0.000 0.801 89 A HN 0.743 nan 8.150 nan 0.000 0.473 90 N N -1.882 116.740 118.700 -0.129 0.000 2.727 90 N HA -0.169 4.544 4.740 -0.045 0.000 0.249 90 N C -0.559 174.888 175.510 -0.105 0.000 1.048 90 N CA 0.634 53.624 53.050 -0.099 0.000 0.714 90 N CB -1.756 36.674 38.487 -0.095 0.000 0.959 90 N HN 0.427 nan 8.380 nan 0.000 0.544 91 L N 0.668 121.820 121.223 -0.119 0.000 2.281 91 L HA 0.358 4.671 4.340 -0.045 0.000 0.285 91 L C -0.058 176.746 176.870 -0.110 0.000 1.074 91 L CA -0.279 54.479 54.840 -0.136 0.000 0.817 91 L CB 0.882 42.825 42.059 -0.193 0.000 1.168 91 L HN 0.152 nan 8.230 nan 0.000 0.434 92 D N 3.597 123.939 120.400 -0.097 0.000 2.456 92 D HA 0.092 4.705 4.640 -0.045 0.000 0.219 92 D C 1.113 177.370 176.300 -0.072 0.000 1.126 92 D CA -0.187 53.776 54.000 -0.062 0.000 0.890 92 D CB 1.086 41.856 40.800 -0.050 0.000 1.025 92 D HN 0.409 nan 8.370 nan 0.000 0.511 93 V N 1.583 121.470 119.914 -0.044 0.000 2.913 93 V HA -0.100 3.993 4.120 -0.045 0.000 0.260 93 V C 1.325 177.433 176.094 0.023 0.000 1.098 93 V CA 1.239 63.516 62.300 -0.039 0.000 1.121 93 V CB -0.620 31.294 31.823 0.152 0.000 0.714 93 V HN 0.393 nan 8.190 nan 0.000 0.487 94 E N 1.090 121.306 120.200 0.027 0.000 2.482 94 E HA 0.240 4.563 4.350 -0.045 0.000 0.196 94 E C 1.986 178.592 176.600 0.011 0.000 1.047 94 E CA 0.787 57.205 56.400 0.030 0.000 0.869 94 E CB -0.000 29.716 29.700 0.027 0.000 0.836 94 E HN 0.751 nan 8.360 nan 0.000 0.520 95 A N 0.557 123.371 122.820 -0.011 0.000 2.303 95 A HA 0.195 4.489 4.320 -0.045 0.000 0.217 95 A C 0.790 178.369 177.584 -0.009 0.000 1.205 95 A CA -0.211 51.817 52.037 -0.016 0.000 0.875 95 A CB 0.216 19.196 19.000 -0.034 0.000 0.910 95 A HN 0.037 nan 8.150 nan 0.000 0.501 96 L N 0.196 121.411 121.223 -0.013 0.000 2.439 96 L HA 0.206 4.519 4.340 -0.045 0.000 0.261 96 L C 0.384 177.280 176.870 0.042 0.000 1.153 96 L CA -0.794 54.049 54.840 0.005 0.000 0.808 96 L CB 0.310 42.301 42.059 -0.112 0.000 1.126 96 L HN 0.215 nan 8.230 nan 0.000 0.460 97 N N 1.226 119.964 118.700 0.063 0.000 2.406 97 N HA 0.030 4.743 4.740 -0.045 0.000 0.269 97 N C 0.838 176.410 175.510 0.104 0.000 1.210 97 N CA 0.298 53.390 53.050 0.071 0.000 0.966 97 N CB 0.447 38.972 38.487 0.065 0.000 1.293 97 N HN 0.430 nan 8.380 nan 0.000 0.491 98 R N 1.682 122.258 120.500 0.128 0.000 2.193 98 R HA -0.058 4.255 4.340 -0.045 0.000 0.229 98 R C 0.388 176.785 176.300 0.162 0.000 1.110 98 R CA 0.949 57.172 56.100 0.205 0.000 0.988 98 R CB 0.231 30.636 30.300 0.175 0.000 0.871 98 R HN 0.530 nan 8.270 nan 0.000 0.458 99 D N 0.246 120.710 120.400 0.107 0.000 2.312 99 D HA -0.076 4.537 4.640 -0.045 0.000 0.211 99 D C 1.135 177.488 176.300 0.089 0.000 0.964 99 D CA 0.893 54.942 54.000 0.082 0.000 0.877 99 D CB 0.151 40.989 40.800 0.063 0.000 0.924 99 D HN 0.158 nan 8.370 nan 0.000 0.515 100 R N -0.061 120.502 120.500 0.105 0.000 2.546 100 R HA 0.121 4.434 4.340 -0.045 0.000 0.320 100 R C -0.217 176.162 176.300 0.132 0.000 1.021 100 R CA -0.380 55.774 56.100 0.090 0.000 1.088 100 R CB 0.433 30.761 30.300 0.047 0.000 1.278 100 R HN -0.003 nan 8.270 nan 0.000 0.557 101 F N 0.875 120.810 119.950 -0.025 0.000 2.427 101 F HA 0.663 5.171 4.527 -0.032 0.000 0.348 101 F C -0.196 175.599 175.800 -0.008 0.000 1.125 101 F CA -1.611 56.367 58.000 -0.036 0.000 0.989 101 F CB 1.308 40.295 39.000 -0.022 0.000 1.165 101 F HN 0.007 nan 8.300 nan 0.000 0.442 102 G N 3.754 112.552 108.800 -0.003 0.000 2.714 102 G HA2 0.683 4.616 3.960 -0.045 0.000 0.292 102 G HA3 0.683 4.616 3.960 -0.045 0.000 0.292 102 G C -2.151 172.635 174.900 -0.190 0.000 1.308 102 G CA -0.932 44.080 45.100 -0.147 0.000 0.964 102 G HN 0.546 nan 8.290 nan 0.000 0.484 103 V N 0.402 120.229 119.914 -0.145 0.000 2.733 103 V HA 0.490 4.583 4.120 -0.045 0.000 0.306 103 V C -0.773 175.296 176.094 -0.042 0.000 1.084 103 V CA -0.451 61.788 62.300 -0.101 0.000 0.905 103 V CB 1.731 33.479 31.823 -0.124 0.000 1.010 103 V HN 0.631 nan 8.190 nan 0.000 0.424 104 I N 4.564 125.125 120.570 -0.014 0.000 2.447 104 I HA 0.533 4.676 4.170 -0.045 0.000 0.287 104 I C -0.930 175.197 176.117 0.017 0.000 1.023 104 I CA -0.851 60.450 61.300 0.002 0.000 1.083 104 I CB 2.196 40.199 38.000 0.005 0.000 1.245 104 I HN 0.267 nan 8.210 nan 0.000 0.434 105 V N 5.790 125.721 119.914 0.029 0.000 2.325 105 V HA 0.511 4.604 4.120 -0.045 0.000 0.280 105 V C 0.553 176.691 176.094 0.073 0.000 1.016 105 V CA -0.559 61.770 62.300 0.048 0.000 0.818 105 V CB 1.360 33.207 31.823 0.040 0.000 1.019 105 V HN 0.836 nan 8.190 nan 0.000 0.434 106 A N 3.784 126.647 122.820 0.073 0.000 2.386 106 A HA 0.796 5.090 4.320 -0.045 0.000 0.248 106 A C 0.287 177.944 177.584 0.121 0.000 1.082 106 A CA -0.007 52.078 52.037 0.080 0.000 0.789 106 A CB 0.980 20.015 19.000 0.059 0.000 1.025 106 A HN 0.916 nan 8.150 nan 0.000 0.490 107 S N -0.370 115.401 115.700 0.118 0.000 2.542 107 S HA 0.520 4.964 4.470 -0.045 0.000 0.276 107 S C 0.709 175.356 174.600 0.078 0.000 1.148 107 S CA 0.098 58.377 58.200 0.132 0.000 0.886 107 S CB 1.116 64.440 63.200 0.207 0.000 1.109 107 S HN 1.435 nan 8.310 nan 0.000 0.458 108 G N 2.183 111.032 108.800 0.081 0.000 2.494 108 G HA2 0.179 4.112 3.960 -0.045 0.000 0.216 108 G HA3 0.179 4.112 3.960 -0.045 0.000 0.216 108 G C 0.792 175.730 174.900 0.064 0.000 1.140 108 G CA 0.616 45.767 45.100 0.086 0.000 0.801 108 G HN 0.717 nan 8.290 nan 0.000 0.536 109 I N -1.217 119.366 120.570 0.022 0.000 4.730 109 I HA 0.300 4.444 4.170 -0.045 0.000 0.332 109 I C 1.492 177.514 176.117 -0.159 0.000 1.299 109 I CA 0.152 61.444 61.300 -0.013 0.000 1.294 109 I CB 0.434 38.471 38.000 0.061 0.000 1.317 109 I HN 0.272 nan 8.210 nan 0.000 0.457 110 G N 1.889 110.483 108.800 -0.342 0.000 2.552 110 G HA2 -0.261 3.672 3.960 -0.045 0.000 0.265 110 G HA3 -0.261 3.672 3.960 -0.045 0.000 0.265 110 G C 0.517 174.866 174.900 -0.918 0.000 1.234 110 G CA -0.161 44.371 45.100 -0.948 0.000 0.944 110 G HN 0.575 nan 8.290 nan 0.000 0.568 111 G N -0.812 107.518 108.800 -0.784 0.000 3.213 111 G HA2 0.474 4.408 3.960 -0.045 0.000 0.263 111 G HA3 0.474 4.408 3.960 -0.045 0.000 0.263 111 G C 1.063 175.899 174.900 -0.106 0.000 0.829 111 G CA 0.620 45.575 45.100 -0.241 0.000 1.983 111 G HN 0.926 nan 8.290 nan 0.000 0.616 112 I N 0.727 121.246 120.570 -0.084 0.000 2.493 112 I HA -0.010 4.133 4.170 -0.045 0.000 0.254 112 I C 2.456 178.580 176.117 0.012 0.000 1.160 112 I CA 1.086 62.379 61.300 -0.012 0.000 1.445 112 I CB 0.058 38.096 38.000 0.064 0.000 1.086 112 I HN 0.382 nan 8.210 nan 0.000 0.433 113 K N 0.319 120.732 120.400 0.021 0.000 2.026 113 K HA -0.275 4.018 4.320 -0.045 0.000 0.208 113 K C 2.151 178.753 176.600 0.003 0.000 1.048 113 K CA 1.833 58.133 56.287 0.022 0.000 0.929 113 K CB -0.186 32.333 32.500 0.031 0.000 0.713 113 K HN 0.251 nan 8.250 nan 0.000 0.439 114 E N 0.929 121.131 120.200 0.003 0.000 2.085 114 E HA -0.178 4.146 4.350 -0.045 0.000 0.194 114 E C 1.771 178.356 176.600 -0.025 0.000 0.994 114 E CA 1.659 58.057 56.400 -0.002 0.000 0.801 114 E CB -0.159 29.550 29.700 0.015 0.000 0.743 114 E HN 0.420 nan 8.360 nan 0.000 0.453 115 I N 0.433 120.976 120.570 -0.045 0.000 2.142 115 I HA -0.253 3.890 4.170 -0.045 0.000 0.240 115 I C 2.632 178.689 176.117 -0.101 0.000 1.078 115 I CA 1.715 62.968 61.300 -0.078 0.000 1.343 115 I CB -0.471 37.464 38.000 -0.109 0.000 1.046 115 I HN 0.276 nan 8.210 nan 0.000 0.405 116 E N 1.232 121.366 120.200 -0.109 0.000 2.058 116 E HA -0.285 4.038 4.350 -0.045 0.000 0.194 116 E C 1.651 178.216 176.600 -0.058 0.000 0.997 116 E CA 1.961 58.292 56.400 -0.116 0.000 0.801 116 E CB 0.045 29.705 29.700 -0.066 0.000 0.746 116 E HN 0.406 nan 8.360 nan 0.000 0.450 117 D N -0.010 120.371 120.400 -0.031 0.000 2.144 117 D HA -0.132 4.481 4.640 -0.045 0.000 0.200 117 D C 2.003 178.295 176.300 -0.013 0.000 0.978 117 D CA 0.818 54.810 54.000 -0.013 0.000 0.833 117 D CB -0.134 40.664 40.800 -0.004 0.000 0.961 117 D HN 0.222 nan 8.370 nan 0.000 0.470 118 Q N 0.179 119.966 119.800 -0.022 0.000 2.269 118 Q HA 0.019 4.332 4.340 -0.045 0.000 0.201 118 Q C 2.448 178.438 176.000 -0.017 0.000 0.946 118 Q CA 0.177 55.967 55.803 -0.021 0.000 0.877 118 Q CB -0.181 28.541 28.738 -0.025 0.000 0.963 118 Q HN 0.207 nan 8.270 nan 0.000 0.472 119 V N 1.564 121.468 119.914 -0.016 0.000 2.287 119 V HA -0.272 3.821 4.120 -0.045 0.000 0.248 119 V C 2.410 178.569 176.094 0.109 0.000 1.053 119 V CA 1.595 63.919 62.300 0.039 0.000 1.027 119 V CB -0.640 31.171 31.823 -0.020 0.000 0.646 119 V HN 0.272 nan 8.190 nan 0.000 0.447 120 L N -0.676 120.575 121.223 0.045 0.000 2.046 120 L HA -0.194 4.119 4.340 -0.045 0.000 0.208 120 L C 2.725 179.625 176.870 0.050 0.000 1.077 120 L CA 1.860 56.733 54.840 0.056 0.000 0.747 120 L CB -0.598 41.473 42.059 0.020 0.000 0.896 120 L HN 0.255 nan 8.230 nan 0.000 0.432 121 R N 0.280 120.789 120.500 0.016 0.000 2.081 121 R HA -0.221 4.092 4.340 -0.045 0.000 0.235 121 R C 2.348 178.631 176.300 -0.028 0.000 1.131 121 R CA 1.512 57.610 56.100 -0.004 0.000 0.960 121 R CB -0.306 29.986 30.300 -0.013 0.000 0.856 121 R HN 0.185 nan 8.270 nan 0.000 0.436 122 L N 0.282 121.469 121.223 -0.061 0.000 1.990 122 L HA -0.220 4.093 4.340 -0.045 0.000 0.213 122 L C 1.535 178.263 176.870 -0.238 0.000 1.072 122 L CA 2.125 56.861 54.840 -0.172 0.000 0.755 122 L CB -0.570 41.338 42.059 -0.252 0.000 0.889 122 L HN 0.275 nan 8.230 nan 0.000 0.432 123 H N -1.228 117.825 119.070 -0.028 0.000 2.548 123 H HA 0.060 4.590 4.556 -0.045 0.000 0.268 123 H C 1.932 177.249 175.328 -0.019 0.000 0.975 123 H CA 1.003 57.036 56.048 -0.025 0.000 1.195 123 H CB 0.252 29.997 29.762 -0.029 0.000 1.397 123 H HN 0.529 nan 8.280 nan 0.000 0.572 124 E N 0.117 120.351 120.200 0.058 0.000 2.140 124 E HA 0.008 4.331 4.350 -0.045 0.000 0.191 124 E C 1.290 177.893 176.600 0.005 0.000 0.973 124 E CA 0.651 57.069 56.400 0.030 0.000 0.829 124 E CB 0.391 30.104 29.700 0.023 0.000 0.781 124 E HN 0.314 nan 8.360 nan 0.000 0.466 125 K N -0.762 119.630 120.400 -0.014 0.000 2.464 125 K HA 0.222 4.515 4.320 -0.045 0.000 0.206 125 K C 0.173 176.751 176.600 -0.037 0.000 1.186 125 K CA 0.404 56.679 56.287 -0.021 0.000 0.990 125 K CB 2.103 34.591 32.500 -0.019 0.000 1.003 125 K HN 0.151 nan 8.250 nan 0.000 0.562 126 G N 2.053 110.816 108.800 -0.062 0.000 2.612 126 G HA2 -0.144 3.789 3.960 -0.045 0.000 0.686 126 G HA3 -0.144 3.789 3.960 -0.045 0.000 0.686 126 G C -2.473 172.376 174.900 -0.086 0.000 1.274 126 G CA -0.699 44.354 45.100 -0.078 0.000 0.849 126 G HN -0.171 nan 8.290 nan 0.000 0.595 127 P HA -0.054 nan 4.420 nan 0.000 0.220 127 P C 1.404 178.670 177.300 -0.056 0.000 1.148 127 P CA 1.255 64.306 63.100 -0.081 0.000 0.803 127 P CB 0.066 31.721 31.700 -0.075 0.000 0.782 128 K N -0.481 119.892 120.400 -0.045 0.000 2.362 128 K HA -0.018 4.275 4.320 -0.045 0.000 0.200 128 K C 1.789 178.370 176.600 -0.031 0.000 1.046 128 K CA 0.609 56.876 56.287 -0.034 0.000 0.952 128 K CB 0.046 32.529 32.500 -0.027 0.000 0.753 128 K HN 0.008 nan 8.250 nan 0.000 0.466 129 R N 0.336 120.815 120.500 -0.035 0.000 2.334 129 R HA 0.124 4.437 4.340 -0.045 0.000 0.216 129 R C 0.212 176.494 176.300 -0.031 0.000 0.905 129 R CA 0.001 56.083 56.100 -0.029 0.000 1.064 129 R CB -0.202 30.082 30.300 -0.026 0.000 1.046 129 R HN -0.078 nan 8.270 nan 0.000 0.508 130 V N 3.484 123.375 119.914 -0.039 0.000 2.617 130 V HA -0.060 4.033 4.120 -0.045 0.000 0.304 130 V C 0.892 176.969 176.094 -0.028 0.000 1.040 130 V CA 0.237 62.515 62.300 -0.036 0.000 1.149 130 V CB 0.412 32.208 31.823 -0.045 0.000 0.914 130 V HN 0.001 nan 8.190 nan 0.000 0.487 131 K N 6.466 126.851 120.400 -0.024 0.000 2.401 131 K HA 0.158 4.451 4.320 -0.045 0.000 0.278 131 K C -1.480 175.107 176.600 -0.021 0.000 1.018 131 K CA -1.661 54.613 56.287 -0.021 0.000 0.981 131 K CB 0.671 33.160 32.500 -0.018 0.000 0.933 131 K HN 0.336 nan 8.250 nan 0.000 0.477 132 P HA -0.111 nan 4.420 nan 0.000 0.216 132 P C 0.864 178.151 177.300 -0.021 0.000 1.150 132 P CA 1.330 64.417 63.100 -0.021 0.000 0.843 132 P CB 0.222 31.909 31.700 -0.022 0.000 0.787 133 M N -1.933 117.652 119.600 -0.024 0.000 2.568 133 M HA 0.073 4.526 4.480 -0.045 0.000 0.226 133 M C 1.366 177.659 176.300 -0.011 0.000 1.148 133 M CA 0.814 56.099 55.300 -0.025 0.000 1.007 133 M CB -1.406 31.168 32.600 -0.044 0.000 1.651 133 M HN -0.069 nan 8.290 nan 0.000 0.488 134 T N 1.711 116.259 114.554 -0.010 0.000 2.580 134 T HA -0.157 4.166 4.350 -0.045 0.000 0.265 134 T C 1.965 176.668 174.700 0.005 0.000 1.063 134 T CA 1.477 63.574 62.100 -0.006 0.000 1.170 134 T CB -0.206 68.653 68.868 -0.015 0.000 0.863 134 T HN 0.378 nan 8.240 nan 0.000 0.418 135 L N 0.591 121.816 121.223 0.003 0.000 2.109 135 L HA -0.009 4.304 4.340 -0.045 0.000 0.207 135 L C -0.562 176.328 176.870 0.033 0.000 1.086 135 L CA 1.012 55.860 54.840 0.012 0.000 0.760 135 L CB -1.589 40.472 42.059 0.004 0.000 0.910 135 L HN 0.207 nan 8.230 nan 0.000 0.437 136 P HA -0.178 nan 4.420 nan 0.000 0.218 136 P C 1.311 178.663 177.300 0.086 0.000 1.148 136 P CA 1.425 64.553 63.100 0.047 0.000 0.822 136 P CB 0.056 31.764 31.700 0.013 0.000 0.784 137 K N -1.085 119.362 120.400 0.078 0.000 2.137 137 K HA 0.090 4.383 4.320 -0.045 0.000 0.202 137 K C 2.075 178.788 176.600 0.189 0.000 1.052 137 K CA 1.204 57.566 56.287 0.126 0.000 0.961 137 K CB -0.326 32.219 32.500 0.074 0.000 0.741 137 K HN 0.028 nan 8.250 nan 0.000 0.452 138 A N 1.198 124.078 122.820 0.100 0.000 1.911 138 A HA 0.108 4.401 4.320 -0.045 0.000 0.212 138 A C 0.947 178.529 177.584 -0.003 0.000 1.189 138 A CA 0.144 52.201 52.037 0.033 0.000 0.639 138 A CB -0.281 18.713 19.000 -0.010 0.000 0.839 138 A HN 0.089 nan 8.150 nan 0.000 0.449 139 L N 0.416 121.666 121.223 0.045 0.000 2.490 139 L HA 0.084 4.397 4.340 -0.045 0.000 0.274 139 L C -1.603 175.298 176.870 0.051 0.000 1.201 139 L CA -1.213 53.643 54.840 0.025 0.000 0.869 139 L CB 0.575 42.660 42.059 0.044 0.000 1.123 139 L HN 0.127 nan 8.230 nan 0.000 0.484 140 P HA -0.099 nan 4.420 nan 0.000 0.226 140 P C 0.756 178.157 177.300 0.168 0.000 1.153 140 P CA 0.815 63.914 63.100 -0.002 0.000 0.777 140 P CB -0.011 31.665 31.700 -0.040 0.000 0.794 141 N N -1.319 117.460 118.700 0.131 0.000 2.446 141 N HA -0.036 4.677 4.740 -0.045 0.000 0.179 141 N C 1.286 176.878 175.510 0.136 0.000 1.054 141 N CA 0.773 53.894 53.050 0.117 0.000 0.905 141 N CB -0.667 37.862 38.487 0.069 0.000 0.973 141 N HN 0.062 nan 8.380 nan 0.000 0.448 142 M N 1.202 120.916 119.600 0.190 0.000 2.229 142 M HA 0.077 4.530 4.480 -0.045 0.000 0.264 142 M C 2.318 178.660 176.300 0.071 0.000 1.063 142 M CA 0.940 56.326 55.300 0.143 0.000 1.114 142 M CB -1.218 31.488 32.600 0.178 0.000 1.387 142 M HN 0.285 nan 8.290 nan 0.000 0.420 143 A N 0.187 123.015 122.820 0.014 0.000 1.908 143 A HA -0.152 4.141 4.320 -0.045 0.000 0.218 143 A C 2.478 180.026 177.584 -0.059 0.000 1.181 143 A CA 2.283 54.209 52.037 -0.185 0.000 0.627 143 A CB -0.816 17.947 19.000 -0.395 0.000 0.818 143 A HN 0.512 nan 8.150 nan 0.000 0.445 144 S N -0.271 115.435 115.700 0.010 0.000 2.356 144 S HA -0.073 4.370 4.470 -0.045 0.000 0.223 144 S C 2.102 176.702 174.600 0.000 0.000 1.032 144 S CA 1.157 59.362 58.200 0.009 0.000 1.005 144 S CB -0.869 62.344 63.200 0.021 0.000 0.867 144 S HN 0.775 nan 8.310 nan 0.000 0.449 145 G N 2.667 111.476 108.800 0.014 0.000 2.422 145 G HA2 -0.221 3.712 3.960 -0.045 0.000 0.218 145 G HA3 -0.221 3.712 3.960 -0.045 0.000 0.218 145 G C 1.368 176.277 174.900 0.016 0.000 1.146 145 G CA 0.727 45.835 45.100 0.014 0.000 0.769 145 G HN 0.400 nan 8.290 nan 0.000 0.547 146 N N 0.458 119.169 118.700 0.019 0.000 2.120 146 N HA -0.098 4.615 4.740 -0.045 0.000 0.188 146 N C 2.345 177.835 175.510 -0.034 0.000 1.024 146 N CA 1.144 54.205 53.050 0.018 0.000 0.852 146 N CB -0.559 37.914 38.487 -0.023 0.000 1.003 146 N HN 0.189 nan 8.380 nan 0.000 0.424 147 V N 1.695 121.595 119.914 -0.024 0.000 2.343 147 V HA -0.176 3.918 4.120 -0.045 0.000 0.247 147 V C 2.432 178.582 176.094 0.093 0.000 1.051 147 V CA 1.727 64.064 62.300 0.062 0.000 1.036 147 V CB -0.942 30.937 31.823 0.093 0.000 0.654 147 V HN 0.286 nan 8.190 nan 0.000 0.451 148 A N -0.715 122.110 122.820 0.007 0.000 1.902 148 A HA -0.249 4.044 4.320 -0.045 0.000 0.217 148 A C 2.251 179.816 177.584 -0.032 0.000 1.181 148 A CA 2.243 54.252 52.037 -0.047 0.000 0.623 148 A CB -0.481 18.471 19.000 -0.080 0.000 0.818 148 A HN 0.486 nan 8.150 nan 0.000 0.443 149 M N -1.503 118.080 119.600 -0.027 0.000 2.117 149 M HA -0.146 4.307 4.480 -0.045 0.000 0.262 149 M C 2.402 178.648 176.300 -0.089 0.000 1.065 149 M CA 1.826 57.109 55.300 -0.029 0.000 1.114 149 M CB -0.257 32.344 32.600 0.001 0.000 1.361 149 M HN 0.498 nan 8.290 nan 0.000 0.408 150 R N -0.046 120.338 120.500 -0.194 0.000 2.096 150 R HA -0.143 4.170 4.340 -0.045 0.000 0.235 150 R C 1.131 177.061 176.300 -0.618 0.000 1.127 150 R CA 1.625 57.440 56.100 -0.474 0.000 0.968 150 R CB -0.023 29.828 30.300 -0.749 0.000 0.861 150 R HN 0.306 nan 8.270 nan 0.000 0.440 151 F N -0.930 119.030 119.950 0.015 0.000 2.678 151 F HA 0.341 4.840 4.527 -0.046 0.000 0.305 151 F C 1.219 177.106 175.800 0.145 0.000 1.090 151 F CA 0.265 58.325 58.000 0.101 0.000 1.272 151 F CB 1.180 40.294 39.000 0.189 0.000 1.060 151 F HN 0.214 nan 8.300 nan 0.000 0.576 152 G N 1.536 110.417 108.800 0.134 0.000 2.246 152 G HA2 -0.163 3.770 3.960 -0.045 0.000 0.273 152 G HA3 -0.163 3.770 3.960 -0.045 0.000 0.273 152 G C 0.156 175.117 174.900 0.101 0.000 1.055 152 G CA 0.041 45.209 45.100 0.115 0.000 0.851 152 G HN 0.624 nan 8.290 nan 0.000 0.500 153 A N -0.496 122.253 122.820 -0.118 0.000 2.350 153 A HA 0.639 4.932 4.320 -0.045 0.000 0.293 153 A C 0.882 178.369 177.584 -0.162 0.000 1.231 153 A CA 0.278 52.076 52.037 -0.398 0.000 0.883 153 A CB 0.084 18.498 19.000 -0.977 0.000 1.133 153 A HN 0.514 nan 8.150 nan 0.000 0.533 154 N N 1.876 120.551 118.700 -0.043 0.000 2.236 154 N HA 0.148 4.861 4.740 -0.045 0.000 0.196 154 N C 1.200 176.707 175.510 -0.006 0.000 1.114 154 N CA 0.339 53.384 53.050 -0.008 0.000 0.859 154 N CB 0.625 39.131 38.487 0.031 0.000 0.982 154 N HN 0.708 nan 8.380 nan 0.000 0.493 155 G N 0.322 109.111 108.800 -0.017 0.000 2.624 155 G HA2 0.197 4.130 3.960 -0.045 0.000 0.217 155 G HA3 0.197 4.130 3.960 -0.045 0.000 0.217 155 G C -0.070 174.817 174.900 -0.022 0.000 1.506 155 G CA -0.436 44.666 45.100 0.003 0.000 1.072 155 G HN -0.040 nan 8.290 nan 0.000 0.568 156 V N -0.489 119.416 119.914 -0.014 0.000 2.617 156 V HA 0.266 4.359 4.120 -0.045 0.000 0.304 156 V C 0.285 176.351 176.094 -0.048 0.000 1.040 156 V CA 0.016 62.300 62.300 -0.026 0.000 1.149 156 V CB 0.485 32.297 31.823 -0.017 0.000 0.914 156 V HN 0.668 nan 8.190 nan 0.000 0.487 157 C N 7.592 126.867 119.300 -0.040 0.000 2.505 157 C HA 0.755 5.188 4.460 -0.045 0.000 0.342 157 C C -0.414 174.564 174.990 -0.021 0.000 1.121 157 C CA -0.816 58.178 59.018 -0.040 0.000 1.306 157 C CB 0.313 28.027 27.740 -0.043 0.000 1.897 157 C HN 1.104 nan 8.230 nan 0.000 0.446 158 K N 3.268 123.660 120.400 -0.013 0.000 2.548 158 K HA 0.791 5.084 4.320 -0.045 0.000 0.282 158 K C -1.337 175.272 176.600 0.014 0.000 1.006 158 K CA -0.413 55.874 56.287 0.000 0.000 0.892 158 K CB 1.652 34.149 32.500 -0.006 0.000 1.499 158 K HN 0.458 nan 8.250 nan 0.000 0.433 159 S N 0.759 116.474 115.700 0.025 0.000 2.532 159 S HA 0.654 5.097 4.470 -0.045 0.000 0.301 159 S C -0.855 173.763 174.600 0.029 0.000 1.083 159 S CA -0.894 57.330 58.200 0.040 0.000 1.025 159 S CB 0.568 63.807 63.200 0.065 0.000 1.056 159 S HN 0.523 nan 8.310 nan 0.000 0.494 160 I N 3.766 124.353 120.570 0.029 0.000 2.474 160 I HA 0.449 4.593 4.170 -0.045 0.000 0.294 160 I C -0.525 175.599 176.117 0.012 0.000 1.005 160 I CA -0.811 60.498 61.300 0.016 0.000 1.113 160 I CB 2.022 40.029 38.000 0.013 0.000 1.289 160 I HN 0.503 nan 8.210 nan 0.000 0.436 161 N N 3.694 122.388 118.700 -0.010 0.000 2.531 161 N HA 0.325 5.038 4.740 -0.045 0.000 0.268 161 N C -0.578 174.856 175.510 -0.127 0.000 1.023 161 N CA -0.328 52.708 53.050 -0.024 0.000 0.896 161 N CB 1.450 39.941 38.487 0.007 0.000 1.233 161 N HN 0.695 nan 8.380 nan 0.000 0.512 162 T N 1.092 115.533 114.554 -0.188 0.000 3.533 162 T HA 0.597 4.920 4.350 -0.045 0.000 0.275 162 T C 0.796 175.402 174.700 -0.157 0.000 1.000 162 T CA 0.210 61.994 62.100 -0.526 0.000 1.015 162 T CB 0.006 68.545 68.868 -0.549 0.000 1.153 162 T HN 0.624 nan 8.240 nan 0.000 0.504 163 A N 0.934 123.775 122.820 0.034 0.000 5.308 163 A HA -0.329 3.965 4.320 -0.045 0.000 0.321 163 A C 2.007 179.688 177.584 0.161 0.000 1.849 163 A CA 1.517 53.673 52.037 0.199 0.000 0.713 163 A CB -2.034 17.200 19.000 0.390 0.000 1.360 163 A HN 1.099 nan 8.150 nan 0.000 0.384 164 C N -0.203 119.215 119.300 0.196 0.000 2.422 164 C HA 0.186 4.619 4.460 -0.045 0.000 0.286 164 C C 2.765 177.827 174.990 0.120 0.000 1.412 164 C CA 1.251 60.385 59.018 0.192 0.000 1.786 164 C CB -1.504 26.382 27.740 0.242 0.000 1.835 164 C HN 0.680 nan 8.230 nan 0.000 0.533 165 S N 0.785 116.524 115.700 0.066 0.000 2.575 165 S HA -0.012 4.431 4.470 -0.045 0.000 0.215 165 S C 1.872 176.492 174.600 0.033 0.000 0.966 165 S CA 0.262 58.483 58.200 0.034 0.000 0.911 165 S CB -0.137 63.094 63.200 0.051 0.000 0.780 165 S HN 0.686 nan 8.310 nan 0.000 0.514 166 S N 2.341 118.060 115.700 0.032 0.000 2.365 166 S HA -0.141 4.303 4.470 -0.045 0.000 0.225 166 S C 2.192 176.811 174.600 0.031 0.000 1.039 166 S CA 1.763 59.975 58.200 0.021 0.000 1.033 166 S CB -0.342 62.880 63.200 0.037 0.000 0.887 166 S HN 0.782 nan 8.310 nan 0.000 0.447 167 S N 1.189 116.916 115.700 0.045 0.000 2.528 167 S HA 0.129 4.572 4.470 -0.045 0.000 0.219 167 S C 1.446 176.060 174.600 0.022 0.000 0.985 167 S CA 0.321 58.544 58.200 0.038 0.000 0.914 167 S CB -0.298 62.934 63.200 0.053 0.000 0.776 167 S HN 0.283 nan 8.310 nan 0.000 0.526 168 N N 2.560 121.277 118.700 0.028 0.000 2.106 168 N HA -0.039 4.674 4.740 -0.045 0.000 0.188 168 N C 1.245 176.738 175.510 -0.027 0.000 1.029 168 N CA 1.523 54.583 53.050 0.017 0.000 0.848 168 N CB -0.429 38.080 38.487 0.038 0.000 1.007 168 N HN 0.377 nan 8.380 nan 0.000 0.423 169 D N 0.148 120.568 120.400 0.033 0.000 2.144 169 D HA -0.079 4.534 4.640 -0.045 0.000 0.199 169 D C 1.695 177.949 176.300 -0.077 0.000 0.984 169 D CA 0.985 55.008 54.000 0.039 0.000 0.834 169 D CB -0.180 40.692 40.800 0.119 0.000 0.955 169 D HN 0.274 nan 8.370 nan 0.000 0.465 170 A N 1.138 123.935 122.820 -0.039 0.000 1.858 170 A HA -0.163 4.130 4.320 -0.045 0.000 0.216 170 A C 2.381 179.923 177.584 -0.071 0.000 1.190 170 A CA 1.015 53.032 52.037 -0.034 0.000 0.617 170 A CB -0.797 18.203 19.000 0.002 0.000 0.827 170 A HN 0.171 nan 8.150 nan 0.000 0.443 171 I N -0.234 120.287 120.570 -0.081 0.000 2.226 171 I HA -0.212 3.931 4.170 -0.045 0.000 0.245 171 I C 2.689 178.700 176.117 -0.176 0.000 1.100 171 I CA 1.114 62.369 61.300 -0.075 0.000 1.374 171 I CB -0.619 37.363 38.000 -0.031 0.000 1.057 171 I HN 0.409 nan 8.210 nan 0.000 0.413 172 G N 0.282 108.785 108.800 -0.494 0.000 2.440 172 G HA2 -0.320 3.613 3.960 -0.045 0.000 0.218 172 G HA3 -0.320 3.613 3.960 -0.045 0.000 0.218 172 G C 1.447 176.103 174.900 -0.407 0.000 1.154 172 G CA 1.080 45.570 45.100 -1.015 0.000 0.767 172 G HN 0.370 nan 8.290 nan 0.000 0.552 173 D N 1.183 121.436 120.400 -0.247 0.000 2.117 173 D HA -0.044 4.569 4.640 -0.045 0.000 0.197 173 D C 2.752 179.064 176.300 0.021 0.000 0.987 173 D CA 1.316 55.304 54.000 -0.019 0.000 0.829 173 D CB -0.334 40.465 40.800 -0.002 0.000 0.961 173 D HN 0.231 nan 8.370 nan 0.000 0.460 174 A N 0.235 123.066 122.820 0.019 0.000 1.902 174 A HA -0.142 4.151 4.320 -0.045 0.000 0.217 174 A C 2.202 179.855 177.584 0.113 0.000 1.181 174 A CA 1.352 53.424 52.037 0.059 0.000 0.623 174 A CB -1.215 17.815 19.000 0.051 0.000 0.818 174 A HN 0.405 nan 8.150 nan 0.000 0.443 175 F N 0.965 120.903 119.950 -0.021 0.000 2.091 175 F HA -0.223 4.276 4.527 -0.047 0.000 0.299 175 F C 2.318 178.178 175.800 0.100 0.000 1.103 175 F CA 2.075 60.083 58.000 0.013 0.000 1.228 175 F CB -0.231 38.744 39.000 -0.041 0.000 0.984 175 F HN 0.066 nan 8.300 nan 0.000 0.477 176 R N 0.398 120.810 120.500 -0.146 0.000 2.096 176 R HA -0.088 4.225 4.340 -0.045 0.000 0.235 176 R C 2.447 178.842 176.300 0.158 0.000 1.127 176 R CA 1.279 57.340 56.100 -0.064 0.000 0.968 176 R CB -1.244 29.125 30.300 0.115 0.000 0.861 176 R HN 0.336 nan 8.270 nan 0.000 0.440 177 S N 1.198 116.976 115.700 0.131 0.000 2.359 177 S HA -0.079 4.364 4.470 -0.045 0.000 0.224 177 S C 2.078 176.817 174.600 0.231 0.000 1.035 177 S CA 1.133 59.469 58.200 0.228 0.000 1.018 177 S CB -0.150 63.127 63.200 0.128 0.000 0.876 177 S HN 0.219 nan 8.310 nan 0.000 0.448 178 I N 1.174 121.803 120.570 0.097 0.000 2.286 178 I HA -0.147 3.996 4.170 -0.045 0.000 0.245 178 I C 2.467 178.566 176.117 -0.029 0.000 1.104 178 I CA 1.041 62.365 61.300 0.040 0.000 1.397 178 I CB -0.282 37.737 38.000 0.031 0.000 1.072 178 I HN 0.227 nan 8.210 nan 0.000 0.417 179 K N 1.265 121.590 120.400 -0.126 0.000 2.074 179 K HA -0.183 4.110 4.320 -0.045 0.000 0.209 179 K C 1.513 177.900 176.600 -0.355 0.000 1.048 179 K CA 1.858 57.966 56.287 -0.298 0.000 0.926 179 K CB -0.121 32.037 32.500 -0.569 0.000 0.713 179 K HN 0.180 nan 8.250 nan 0.000 0.444 180 F N -0.276 119.629 119.950 -0.076 0.000 2.692 180 F HA 0.254 4.754 4.527 -0.044 0.000 0.303 180 F C 1.263 176.879 175.800 -0.306 0.000 1.114 180 F CA 0.474 58.424 58.000 -0.083 0.000 1.361 180 F CB 1.033 40.094 39.000 0.101 0.000 1.063 180 F HN 0.317 nan 8.300 nan 0.000 0.550 181 G N -0.540 108.181 108.800 -0.132 0.000 2.157 181 G HA2 -0.342 3.591 3.960 -0.045 0.000 0.248 181 G HA3 -0.342 3.591 3.960 -0.045 0.000 0.248 181 G C 0.844 175.576 174.900 -0.281 0.000 0.979 181 G CA 0.199 45.163 45.100 -0.227 0.000 0.650 181 G HN 0.390 nan 8.290 nan 0.000 0.529 182 F N 0.475 120.453 119.950 0.047 0.000 2.293 182 F HA 0.276 4.776 4.527 -0.045 0.000 0.297 182 F C 1.670 177.482 175.800 0.020 0.000 1.089 182 F CA 1.209 59.229 58.000 0.033 0.000 1.377 182 F CB 0.232 39.252 39.000 0.033 0.000 1.051 182 F HN 0.134 nan 8.300 nan 0.000 0.511 183 Q N -0.174 119.721 119.800 0.158 0.000 2.421 183 Q HA 0.198 4.511 4.340 -0.045 0.000 0.280 183 Q C -0.396 175.613 176.000 0.015 0.000 1.085 183 Q CA -0.346 55.510 55.803 0.088 0.000 0.807 183 Q CB 2.082 30.879 28.738 0.098 0.000 1.405 183 Q HN 0.033 nan 8.270 nan 0.000 0.419 184 D N -0.339 120.032 120.400 -0.048 0.000 2.380 184 D HA 0.146 4.759 4.640 -0.045 0.000 0.212 184 D C 0.061 176.192 176.300 -0.282 0.000 1.021 184 D CA 0.686 54.580 54.000 -0.175 0.000 0.884 184 D CB 1.296 41.938 40.800 -0.262 0.000 1.001 184 D HN 0.122 nan 8.370 nan 0.000 0.506 185 V N 1.495 121.297 119.914 -0.185 0.000 2.733 185 V HA 0.416 4.509 4.120 -0.045 0.000 0.306 185 V C -0.622 175.543 176.094 0.119 0.000 1.084 185 V CA -0.572 61.649 62.300 -0.130 0.000 0.905 185 V CB 2.558 34.199 31.823 -0.303 0.000 1.010 185 V HN -0.083 nan 8.190 nan 0.000 0.424 186 M N 4.978 124.641 119.600 0.105 0.000 2.327 186 M HA 0.555 5.008 4.480 -0.045 0.000 0.298 186 M C -1.303 175.064 176.300 0.112 0.000 1.065 186 M CA -0.468 54.909 55.300 0.128 0.000 0.916 186 M CB 2.620 35.262 32.600 0.071 0.000 1.630 186 M HN 0.418 nan 8.290 nan 0.000 0.442 187 L N 3.440 124.729 121.223 0.109 0.000 2.260 187 L HA 0.645 4.958 4.340 -0.045 0.000 0.289 187 L C -0.862 176.018 176.870 0.017 0.000 1.057 187 L CA -0.559 54.306 54.840 0.041 0.000 0.811 187 L CB 1.297 43.351 42.059 -0.007 0.000 1.184 187 L HN 0.501 nan 8.230 nan 0.000 0.429 188 V N 4.142 124.072 119.914 0.027 0.000 2.808 188 V HA 0.989 5.082 4.120 -0.045 0.000 0.308 188 V C -0.249 175.867 176.094 0.036 0.000 1.099 188 V CA 0.456 62.773 62.300 0.029 0.000 0.920 188 V CB 1.774 33.616 31.823 0.031 0.000 1.014 188 V HN 0.865 nan 8.190 nan 0.000 0.425 189 G N 3.691 112.513 108.800 0.037 0.000 2.441 189 G HA2 0.680 4.613 3.960 -0.045 0.000 0.225 189 G HA3 0.680 4.613 3.960 -0.045 0.000 0.225 189 G C -0.239 174.695 174.900 0.055 0.000 1.200 189 G CA 0.232 45.359 45.100 0.045 0.000 0.947 189 G HN 1.699 nan 8.290 nan 0.000 0.484 190 G N -1.880 106.962 108.800 0.071 0.000 2.682 190 G HA2 0.750 4.683 3.960 -0.045 0.000 0.290 190 G HA3 0.750 4.683 3.960 -0.045 0.000 0.290 190 G C -1.474 173.498 174.900 0.120 0.000 1.425 190 G CA 0.615 45.770 45.100 0.093 0.000 0.807 190 G HN 1.362 nan 8.290 nan 0.000 0.482 191 T N -0.938 113.711 114.554 0.159 0.000 2.932 191 T HA 0.632 4.955 4.350 -0.045 0.000 0.318 191 T C -1.926 172.928 174.700 0.257 0.000 1.265 191 T CA -0.385 61.842 62.100 0.212 0.000 1.036 191 T CB 2.172 71.153 68.868 0.190 0.000 1.209 191 T HN 0.680 nan 8.240 nan 0.000 0.484 192 E N 1.287 121.654 120.200 0.277 0.000 2.335 192 E HA 0.717 5.040 4.350 -0.045 0.000 0.280 192 E C -1.446 175.336 176.600 0.304 0.000 0.918 192 E CA -0.499 56.050 56.400 0.247 0.000 0.765 192 E CB 1.952 31.748 29.700 0.159 0.000 1.218 192 E HN 0.796 nan 8.360 nan 0.000 0.425 193 A N 2.599 125.563 122.820 0.240 0.000 3.266 193 A HA 0.417 4.710 4.320 -0.045 0.000 0.310 193 A C -0.231 177.447 177.584 0.156 0.000 1.066 193 A CA -0.058 52.113 52.037 0.222 0.000 0.839 193 A CB -0.014 19.021 19.000 0.058 0.000 1.192 193 A HN 0.528 nan 8.150 nan 0.000 0.496 194 S N -0.031 115.770 115.700 0.169 0.000 2.754 194 S HA 0.289 4.732 4.470 -0.045 0.000 0.247 194 S C 0.153 174.860 174.600 0.177 0.000 1.031 194 S CA -0.063 58.235 58.200 0.163 0.000 1.014 194 S CB -0.658 62.654 63.200 0.187 0.000 0.918 194 S HN 0.478 nan 8.310 nan 0.000 0.519 195 I N 4.064 124.745 120.570 0.186 0.000 2.268 195 I HA 0.197 4.341 4.170 -0.045 0.000 0.298 195 I C 0.512 176.802 176.117 0.287 0.000 1.185 195 I CA 0.065 61.504 61.300 0.231 0.000 1.548 195 I CB -0.600 37.514 38.000 0.190 0.000 1.492 195 I HN 0.374 nan 8.210 nan 0.000 0.711 196 T N 0.777 115.417 114.554 0.143 0.000 2.906 196 T HA 0.440 4.763 4.350 -0.045 0.000 0.295 196 T C -2.236 172.122 174.700 -0.570 0.000 1.075 196 T CA -2.029 60.001 62.100 -0.117 0.000 1.005 196 T CB 2.339 71.206 68.868 -0.001 0.000 1.136 196 T HN -0.092 nan 8.240 nan 0.000 0.498 197 P HA -0.059 nan 4.420 nan 0.000 0.215 197 P C 1.239 178.488 177.300 -0.084 0.000 1.157 197 P CA 0.818 63.491 63.100 -0.710 0.000 0.874 197 P CB -0.120 31.349 31.700 -0.386 0.000 0.790 198 F N 0.623 120.498 119.950 -0.125 0.000 2.075 198 F HA -0.158 4.342 4.527 -0.045 0.000 0.297 198 F C 2.190 177.981 175.800 -0.015 0.000 1.113 198 F CA 1.785 59.757 58.000 -0.047 0.000 1.218 198 F CB -0.990 37.975 39.000 -0.058 0.000 0.984 198 F HN -0.142 nan 8.300 nan 0.000 0.472 199 A N 0.730 123.460 122.820 -0.149 0.000 1.930 199 A HA -0.085 4.208 4.320 -0.045 0.000 0.217 199 A C 2.252 179.822 177.584 -0.024 0.000 1.175 199 A CA 1.562 53.496 52.037 -0.171 0.000 0.627 199 A CB -0.971 18.093 19.000 0.106 0.000 0.815 199 A HN 0.431 nan 8.150 nan 0.000 0.443 200 I N 0.025 120.627 120.570 0.053 0.000 2.226 200 I HA -0.243 3.900 4.170 -0.045 0.000 0.245 200 I C 2.944 179.148 176.117 0.145 0.000 1.100 200 I CA 1.508 62.895 61.300 0.145 0.000 1.374 200 I CB -1.460 36.636 38.000 0.159 0.000 1.057 200 I HN 0.372 nan 8.210 nan 0.000 0.413 201 A N 0.965 123.869 122.820 0.141 0.000 1.933 201 A HA -0.108 4.185 4.320 -0.045 0.000 0.218 201 A C 2.483 179.963 177.584 -0.174 0.000 1.175 201 A CA 1.858 53.913 52.037 0.030 0.000 0.628 201 A CB -1.247 17.734 19.000 -0.032 0.000 0.814 201 A HN 0.444 nan 8.150 nan 0.000 0.444 202 G N -1.453 107.106 108.800 -0.402 0.000 2.402 202 G HA2 -0.127 3.806 3.960 -0.045 0.000 0.216 202 G HA3 -0.127 3.806 3.960 -0.045 0.000 0.216 202 G C 1.383 176.056 174.900 -0.379 0.000 1.162 202 G CA 0.970 45.763 45.100 -0.512 0.000 0.777 202 G HN 0.474 nan 8.290 nan 0.000 0.539 203 F N 0.457 120.289 119.950 -0.198 0.000 2.259 203 F HA 0.038 4.538 4.527 -0.045 0.000 0.298 203 F C 2.884 178.584 175.800 -0.166 0.000 1.088 203 F CA 1.282 59.177 58.000 -0.175 0.000 1.358 203 F CB 0.011 38.909 39.000 -0.170 0.000 1.040 203 F HN 0.159 nan 8.300 nan 0.000 0.505 204 Q N 0.599 120.418 119.800 0.031 0.000 2.084 204 Q HA -0.195 4.118 4.340 -0.045 0.000 0.202 204 Q C 2.317 178.298 176.000 -0.033 0.000 0.978 204 Q CA 1.518 57.318 55.803 -0.004 0.000 0.844 204 Q CB -0.206 28.549 28.738 0.028 0.000 0.898 204 Q HN 0.379 nan 8.270 nan 0.000 0.426 205 A N 0.475 123.255 122.820 -0.067 0.000 2.015 205 A HA -0.129 4.164 4.320 -0.045 0.000 0.219 205 A C 1.849 179.398 177.584 -0.058 0.000 1.163 205 A CA 0.925 52.917 52.037 -0.075 0.000 0.646 205 A CB -0.439 18.497 19.000 -0.107 0.000 0.806 205 A HN 0.467 nan 8.150 nan 0.000 0.448 206 L N -0.319 120.866 121.223 -0.063 0.000 2.552 206 L HA 0.052 4.365 4.340 -0.045 0.000 0.227 206 L C 0.663 177.546 176.870 0.021 0.000 1.146 206 L CA 1.727 56.549 54.840 -0.030 0.000 0.858 206 L CB -0.859 41.160 42.059 -0.067 0.000 0.969 206 L HN 0.468 nan 8.230 nan 0.000 0.451 207 T N -1.236 113.324 114.554 0.011 0.000 4.096 207 T HA -0.263 4.060 4.350 -0.045 0.000 0.343 207 T C 0.971 175.696 174.700 0.042 0.000 0.756 207 T CA 0.736 62.846 62.100 0.018 0.000 1.914 207 T CB -2.007 66.874 68.868 0.022 0.000 1.873 207 T HN 0.597 nan 8.240 nan 0.000 0.850 208 A N -0.438 122.408 122.820 0.044 0.000 2.169 208 A HA 0.587 4.880 4.320 -0.045 0.000 0.210 208 A C 0.833 178.329 177.584 -0.147 0.000 1.168 208 A CA 0.158 52.254 52.037 0.100 0.000 0.813 208 A CB 0.417 19.588 19.000 0.285 0.000 0.861 208 A HN 0.622 nan 8.150 nan 0.000 0.481 209 L N 0.408 121.480 121.223 -0.252 0.000 2.322 209 L HA 0.359 4.673 4.340 -0.045 0.000 0.279 209 L C 0.576 177.346 176.870 -0.167 0.000 1.036 209 L CA -0.588 54.026 54.840 -0.377 0.000 0.807 209 L CB 1.730 43.580 42.059 -0.348 0.000 1.226 209 L HN 0.150 nan 8.230 nan 0.000 0.433 210 S N 0.450 116.068 115.700 -0.136 0.000 2.537 210 S HA 0.028 4.471 4.470 -0.045 0.000 0.286 210 S C 1.062 175.625 174.600 -0.061 0.000 1.299 210 S CA -0.211 57.950 58.200 -0.064 0.000 1.067 210 S CB 0.456 63.632 63.200 -0.040 0.000 0.864 210 S HN 0.768 nan 8.310 nan 0.000 0.494 211 T N 1.597 116.132 114.554 -0.032 0.000 3.163 211 T HA 0.174 4.497 4.350 -0.045 0.000 0.252 211 T C 0.513 175.222 174.700 0.014 0.000 1.056 211 T CA -0.352 61.741 62.100 -0.012 0.000 0.947 211 T CB -0.414 68.456 68.868 0.002 0.000 1.016 211 T HN 0.520 nan 8.240 nan 0.000 0.554 212 T N 3.190 117.745 114.554 0.002 0.000 2.853 212 T HA 0.096 4.419 4.350 -0.045 0.000 0.298 212 T C 1.122 175.833 174.700 0.019 0.000 0.978 212 T CA 0.005 62.110 62.100 0.008 0.000 1.152 212 T CB 1.019 69.883 68.868 -0.006 0.000 0.914 212 T HN 0.424 nan 8.240 nan 0.000 0.539 213 E N 1.720 121.939 120.200 0.031 0.000 2.072 213 E HA -0.093 4.230 4.350 -0.045 0.000 0.191 213 E C 0.738 177.345 176.600 0.011 0.000 0.985 213 E CA 0.436 56.859 56.400 0.039 0.000 0.801 213 E CB 0.160 29.881 29.700 0.034 0.000 0.750 213 E HN 0.548 nan 8.360 nan 0.000 0.452 214 D N 1.195 121.594 120.400 -0.001 0.000 2.363 214 D HA -0.023 4.590 4.640 -0.045 0.000 0.263 214 D C -1.547 174.741 176.300 -0.021 0.000 1.258 214 D CA -1.964 52.029 54.000 -0.013 0.000 0.907 214 D CB 1.085 41.876 40.800 -0.016 0.000 1.107 214 D HN -0.069 nan 8.370 nan 0.000 0.495 215 P HA -0.125 nan 4.420 nan 0.000 0.225 215 P C 1.021 178.295 177.300 -0.044 0.000 1.148 215 P CA 0.972 64.052 63.100 -0.034 0.000 0.779 215 P CB -0.077 31.602 31.700 -0.035 0.000 0.780 216 T N -3.667 110.859 114.554 -0.045 0.000 3.113 216 T HA 0.117 4.440 4.350 -0.045 0.000 0.256 216 T C 1.548 176.212 174.700 -0.059 0.000 1.131 216 T CA 0.234 62.298 62.100 -0.060 0.000 1.074 216 T CB -0.387 68.447 68.868 -0.057 0.000 0.944 216 T HN 0.132 nan 8.240 nan 0.000 0.516 217 R N -0.366 120.107 120.500 -0.045 0.000 2.535 217 R HA 0.552 4.865 4.340 -0.045 0.000 0.323 217 R C 1.947 178.225 176.300 -0.035 0.000 0.979 217 R CA 0.376 56.451 56.100 -0.041 0.000 1.120 217 R CB 0.431 30.711 30.300 -0.033 0.000 1.306 217 R HN 0.388 nan 8.270 nan 0.000 0.540 218 A N 0.648 123.448 122.820 -0.035 0.000 1.943 218 A HA 0.072 4.365 4.320 -0.045 0.000 0.213 218 A C 1.124 178.695 177.584 -0.021 0.000 1.181 218 A CA 0.692 52.713 52.037 -0.026 0.000 0.653 218 A CB 0.368 19.352 19.000 -0.026 0.000 0.833 218 A HN 0.098 nan 8.150 nan 0.000 0.451 219 S N 0.690 116.374 115.700 -0.027 0.000 2.488 219 S HA 0.556 5.000 4.470 -0.045 0.000 0.310 219 S C -0.334 174.242 174.600 -0.040 0.000 1.093 219 S CA -0.588 57.601 58.200 -0.020 0.000 1.129 219 S CB -0.450 62.746 63.200 -0.006 0.000 0.989 219 S HN 0.522 nan 8.310 nan 0.000 0.479 220 I N 2.016 122.564 120.570 -0.037 0.000 2.926 220 I HA 0.477 4.620 4.170 -0.045 0.000 0.295 220 I C -2.999 173.100 176.117 -0.031 0.000 1.463 220 I CA -2.534 58.743 61.300 -0.038 0.000 0.892 220 I CB 1.068 39.039 38.000 -0.048 0.000 1.874 220 I HN 0.209 nan 8.210 nan 0.000 0.620 221 P HA 0.179 nan 4.420 nan 0.000 0.265 221 P C -0.122 177.215 177.300 0.063 0.000 1.193 221 P CA 0.641 63.682 63.100 -0.099 0.000 0.765 221 P CB 0.078 31.738 31.700 -0.066 0.000 0.823 222 F N -1.510 118.421 119.950 -0.031 0.000 2.619 222 F HA -0.250 4.249 4.527 -0.045 0.000 0.425 222 F C 0.857 176.588 175.800 -0.115 0.000 0.575 222 F CA 0.890 58.858 58.000 -0.053 0.000 1.289 222 F CB -1.603 37.373 39.000 -0.040 0.000 1.859 222 F HN 0.312 nan 8.300 nan 0.000 0.280 223 D N 2.095 122.499 120.400 0.007 0.000 2.345 223 D HA 0.126 4.739 4.640 -0.045 0.000 0.247 223 D C 1.276 177.536 176.300 -0.067 0.000 1.108 223 D CA 0.398 54.355 54.000 -0.070 0.000 0.894 223 D CB 1.109 41.860 40.800 -0.081 0.000 1.203 223 D HN 0.474 nan 8.370 nan 0.000 0.430 224 K N 2.192 122.538 120.400 -0.091 0.000 2.281 224 K HA -0.157 4.137 4.320 -0.045 0.000 0.203 224 K C 0.326 176.906 176.600 -0.033 0.000 1.046 224 K CA 1.225 57.470 56.287 -0.069 0.000 0.938 224 K CB 0.191 32.645 32.500 -0.076 0.000 0.737 224 K HN 0.231 nan 8.250 nan 0.000 0.458 225 D N 1.627 122.004 120.400 -0.038 0.000 2.339 225 D HA -0.015 4.599 4.640 -0.045 0.000 0.217 225 D C 0.197 176.487 176.300 -0.018 0.000 1.050 225 D CA 0.089 54.074 54.000 -0.024 0.000 0.856 225 D CB 0.047 40.829 40.800 -0.029 0.000 0.922 225 D HN 0.388 nan 8.370 nan 0.000 0.518 226 R N 1.489 121.977 120.500 -0.020 0.000 2.679 226 R HA 0.103 4.416 4.340 -0.045 0.000 0.268 226 R C 0.251 176.550 176.300 -0.001 0.000 1.044 226 R CA 0.252 56.341 56.100 -0.018 0.000 1.105 226 R CB -0.140 30.140 30.300 -0.032 0.000 0.989 226 R HN 0.040 nan 8.270 nan 0.000 0.447 227 N N 0.374 119.075 118.700 0.002 0.000 2.330 227 N HA 0.218 4.931 4.740 -0.045 0.000 0.249 227 N C -0.570 174.947 175.510 0.012 0.000 1.413 227 N CA -0.343 52.712 53.050 0.009 0.000 0.817 227 N CB 1.183 39.673 38.487 0.004 0.000 1.362 227 N HN 0.941 nan 8.380 nan 0.000 0.499 228 G N 0.860 109.678 108.800 0.029 0.000 2.357 228 G HA2 0.102 4.035 3.960 -0.045 0.000 0.643 228 G HA3 0.102 4.035 3.960 -0.045 0.000 0.643 228 G C -0.836 174.109 174.900 0.075 0.000 1.358 228 G CA -0.822 44.306 45.100 0.047 0.000 0.986 228 G HN 0.332 nan 8.290 nan 0.000 0.620 229 F N -0.366 119.597 119.950 0.022 0.000 2.378 229 F HA 0.822 5.322 4.527 -0.044 0.000 0.319 229 F C 0.159 175.956 175.800 -0.004 0.000 1.155 229 F CA -1.368 56.634 58.000 0.003 0.000 1.157 229 F CB 1.257 40.285 39.000 0.047 0.000 1.252 229 F HN 0.405 nan 8.300 nan 0.000 0.550 230 V N 4.271 124.357 119.914 0.288 0.000 2.384 230 V HA 0.233 4.326 4.120 -0.045 0.000 0.287 230 V C 0.119 176.405 176.094 0.321 0.000 1.020 230 V CA -0.864 61.525 62.300 0.148 0.000 0.850 230 V CB 1.354 33.219 31.823 0.071 0.000 0.987 230 V HN 0.968 nan 8.190 nan 0.000 0.436 231 M N 4.094 123.824 119.600 0.217 0.000 2.219 231 M HA 0.488 4.941 4.480 -0.045 0.000 0.353 231 M C 0.573 176.964 176.300 0.152 0.000 1.304 231 M CA 0.375 55.833 55.300 0.263 0.000 1.115 231 M CB 0.536 33.230 32.600 0.157 0.000 1.664 231 M HN 0.820 nan 8.290 nan 0.000 0.459 232 G N 3.587 112.469 108.800 0.137 0.000 3.016 232 G HA2 0.713 4.646 3.960 -0.045 0.000 0.270 232 G HA3 0.713 4.646 3.960 -0.045 0.000 0.270 232 G C -1.611 173.348 174.900 0.098 0.000 1.352 232 G CA -0.614 44.548 45.100 0.103 0.000 1.060 232 G HN 0.802 nan 8.290 nan 0.000 0.538 233 E N -2.366 117.885 120.200 0.084 0.000 2.430 233 E HA 0.700 5.023 4.350 -0.045 0.000 0.279 233 E C -0.201 176.402 176.600 0.005 0.000 1.003 233 E CA -0.625 55.835 56.400 0.101 0.000 0.801 233 E CB 1.875 31.671 29.700 0.161 0.000 1.313 233 E HN 1.725 nan 8.360 nan 0.000 0.459 234 G N 0.164 108.971 108.800 0.012 0.000 2.302 234 G HA2 0.308 4.241 3.960 -0.045 0.000 0.276 234 G HA3 0.308 4.241 3.960 -0.045 0.000 0.276 234 G C -1.282 173.668 174.900 0.084 0.000 1.316 234 G CA -0.296 44.709 45.100 -0.159 0.000 0.988 234 G HN 0.902 nan 8.290 nan 0.000 0.479 235 S N -1.385 114.361 115.700 0.076 0.000 2.536 235 S HA 0.793 5.237 4.470 -0.045 0.000 0.271 235 S C -0.129 174.524 174.600 0.089 0.000 1.134 235 S CA 0.674 58.954 58.200 0.133 0.000 0.897 235 S CB 1.402 64.728 63.200 0.211 0.000 1.094 235 S HN 2.209 nan 8.310 nan 0.000 0.473 236 G N 3.185 112.021 108.800 0.060 0.000 2.495 236 G HA2 0.685 4.618 3.960 -0.045 0.000 0.318 236 G HA3 0.685 4.618 3.960 -0.045 0.000 0.318 236 G C -1.171 173.756 174.900 0.045 0.000 1.257 236 G CA -0.518 44.593 45.100 0.017 0.000 0.962 236 G HN 0.535 nan 8.290 nan 0.000 0.483 237 M N 1.455 121.085 119.600 0.051 0.000 2.386 237 M HA 0.481 4.934 4.480 -0.045 0.000 0.293 237 M C -1.441 174.904 176.300 0.076 0.000 1.120 237 M CA -0.693 54.639 55.300 0.055 0.000 0.909 237 M CB 1.861 34.489 32.600 0.046 0.000 1.661 237 M HN 0.236 nan 8.290 nan 0.000 0.452 238 L N 2.344 123.611 121.223 0.073 0.000 2.342 238 L HA 0.688 5.001 4.340 -0.045 0.000 0.271 238 L C -0.286 176.618 176.870 0.055 0.000 1.008 238 L CA -0.695 54.209 54.840 0.106 0.000 0.818 238 L CB 1.935 44.061 42.059 0.111 0.000 1.296 238 L HN 0.398 nan 8.230 nan 0.000 0.427 239 V N 4.055 123.990 119.914 0.035 0.000 2.364 239 V HA 0.384 4.477 4.120 -0.045 0.000 0.272 239 V C 0.093 176.189 176.094 0.004 0.000 1.036 239 V CA -0.423 61.872 62.300 -0.008 0.000 0.880 239 V CB 0.859 32.639 31.823 -0.072 0.000 0.991 239 V HN 0.455 nan 8.190 nan 0.000 0.460 240 L N 5.320 126.555 121.223 0.020 0.000 2.322 240 L HA 0.688 5.001 4.340 -0.045 0.000 0.279 240 L C 0.020 176.885 176.870 -0.008 0.000 1.036 240 L CA -0.414 54.440 54.840 0.024 0.000 0.807 240 L CB 1.762 43.861 42.059 0.066 0.000 1.226 240 L HN 0.628 nan 8.230 nan 0.000 0.433 241 E N 0.609 120.796 120.200 -0.021 0.000 2.367 241 E HA 0.297 4.620 4.350 -0.045 0.000 0.273 241 E C -1.014 175.577 176.600 -0.015 0.000 0.903 241 E CA -0.768 55.608 56.400 -0.040 0.000 0.764 241 E CB 2.318 32.017 29.700 -0.002 0.000 1.252 241 E HN 0.647 nan 8.360 nan 0.000 0.446 242 S N 0.969 116.663 115.700 -0.011 0.000 2.568 242 S HA -0.023 4.420 4.470 -0.045 0.000 0.282 242 S C 1.048 175.653 174.600 0.009 0.000 1.338 242 S CA -0.513 57.692 58.200 0.009 0.000 1.045 242 S CB 0.685 63.894 63.200 0.014 0.000 0.873 242 S HN 0.602 nan 8.310 nan 0.000 0.516 243 L N 1.617 122.837 121.223 -0.004 0.000 2.042 243 L HA -0.112 4.201 4.340 -0.045 0.000 0.210 243 L C 2.591 179.463 176.870 0.002 0.000 1.076 243 L CA 2.457 57.283 54.840 -0.023 0.000 0.749 243 L CB -1.131 40.941 42.059 0.022 0.000 0.893 243 L HN 1.034 nan 8.230 nan 0.000 0.432 244 E N -1.668 118.546 120.200 0.024 0.000 2.077 244 E HA -0.317 4.007 4.350 -0.045 0.000 0.193 244 E C 2.263 178.877 176.600 0.023 0.000 0.989 244 E CA 1.310 57.723 56.400 0.022 0.000 0.800 244 E CB -0.381 29.333 29.700 0.023 0.000 0.746 244 E HN 0.729 nan 8.360 nan 0.000 0.452 245 H N -0.077 118.964 119.070 -0.048 0.000 2.353 245 H HA -0.066 4.470 4.556 -0.033 0.000 0.300 245 H C 1.871 177.152 175.328 -0.077 0.000 1.090 245 H CA 1.659 57.672 56.048 -0.059 0.000 1.327 245 H CB 0.035 29.762 29.762 -0.060 0.000 1.383 245 H HN 0.295 nan 8.280 nan 0.000 0.508 246 A N 1.131 123.959 122.820 0.013 0.000 1.877 246 A HA -0.154 4.139 4.320 -0.045 0.000 0.216 246 A C 2.353 179.868 177.584 -0.116 0.000 1.186 246 A CA 1.637 53.630 52.037 -0.073 0.000 0.620 246 A CB -0.411 18.521 19.000 -0.113 0.000 0.822 246 A HN 0.573 nan 8.150 nan 0.000 0.443 247 E N -0.538 119.614 120.200 -0.080 0.000 2.107 247 E HA -0.128 4.195 4.350 -0.045 0.000 0.191 247 E C 1.839 178.396 176.600 -0.072 0.000 0.982 247 E CA 0.738 57.107 56.400 -0.051 0.000 0.809 247 E CB -0.067 29.633 29.700 0.001 0.000 0.756 247 E HN 0.271 nan 8.360 nan 0.000 0.459 248 K N 0.907 121.246 120.400 -0.101 0.000 2.147 248 K HA -0.142 4.151 4.320 -0.045 0.000 0.205 248 K C 2.048 178.560 176.600 -0.146 0.000 1.049 248 K CA 1.142 57.360 56.287 -0.116 0.000 0.936 248 K CB -0.224 32.200 32.500 -0.127 0.000 0.722 248 K HN 0.232 nan 8.250 nan 0.000 0.446 249 R N -0.582 119.796 120.500 -0.203 0.000 2.317 249 R HA 0.110 4.423 4.340 -0.045 0.000 0.208 249 R C 0.736 176.958 176.300 -0.130 0.000 0.914 249 R CA 0.809 56.795 56.100 -0.190 0.000 1.060 249 R CB -0.005 30.135 30.300 -0.267 0.000 1.015 249 R HN 0.067 nan 8.270 nan 0.000 0.498 250 G N 0.708 109.444 108.800 -0.106 0.000 2.160 250 G HA2 -0.302 3.631 3.960 -0.045 0.000 0.244 250 G HA3 -0.302 3.631 3.960 -0.045 0.000 0.244 250 G C 0.264 175.111 174.900 -0.089 0.000 1.022 250 G CA 0.073 45.126 45.100 -0.079 0.000 0.741 250 G HN 0.703 nan 8.290 nan 0.000 0.508 251 A N -0.319 122.434 122.820 -0.112 0.000 2.425 251 A HA 0.645 4.938 4.320 -0.045 0.000 0.242 251 A C 0.904 178.411 177.584 -0.128 0.000 1.077 251 A CA 1.089 53.048 52.037 -0.131 0.000 0.781 251 A CB 0.356 19.266 19.000 -0.149 0.000 1.020 251 A HN 0.874 nan 8.150 nan 0.000 0.494 252 T N 2.459 116.923 114.554 -0.150 0.000 2.729 252 T HA 0.414 4.737 4.350 -0.045 0.000 0.296 252 T C 0.063 174.631 174.700 -0.219 0.000 0.928 252 T CA 0.372 62.383 62.100 -0.148 0.000 1.045 252 T CB -0.256 68.522 68.868 -0.149 0.000 0.902 252 T HN 0.381 nan 8.240 nan 0.000 0.500 253 I N 4.182 124.602 120.570 -0.250 0.000 2.365 253 I HA 0.231 4.374 4.170 -0.045 0.000 0.291 253 I C 1.003 176.944 176.117 -0.293 0.000 1.004 253 I CA -0.350 60.675 61.300 -0.458 0.000 1.311 253 I CB 1.337 38.705 38.000 -1.054 0.000 1.401 253 I HN 0.585 nan 8.210 nan 0.000 0.491 254 L N 5.864 126.958 121.223 -0.215 0.000 2.470 254 L HA 0.514 4.827 4.340 -0.045 0.000 0.219 254 L C 0.681 177.582 176.870 0.052 0.000 1.071 254 L CA 0.115 54.925 54.840 -0.050 0.000 0.850 254 L CB 0.055 42.095 42.059 -0.033 0.000 1.040 254 L HN 0.760 nan 8.230 nan 0.000 0.475 255 A N -0.173 122.659 122.820 0.020 0.000 2.522 255 A HA 0.488 4.781 4.320 -0.045 0.000 0.291 255 A C -1.640 175.995 177.584 0.085 0.000 1.039 255 A CA -0.528 51.582 52.037 0.122 0.000 0.643 255 A CB 1.241 20.312 19.000 0.119 0.000 1.310 255 A HN -0.006 nan 8.150 nan 0.000 0.436 256 E N 0.327 120.641 120.200 0.191 0.000 2.199 256 E HA 0.611 4.934 4.350 -0.045 0.000 0.269 256 E C -1.402 175.294 176.600 0.161 0.000 0.899 256 E CA -0.647 55.848 56.400 0.158 0.000 0.772 256 E CB 1.877 31.732 29.700 0.258 0.000 1.155 256 E HN 0.521 nan 8.360 nan 0.000 0.408 257 V N 5.217 125.171 119.914 0.067 0.000 2.406 257 V HA 0.110 4.203 4.120 -0.045 0.000 0.272 257 V C 0.961 176.902 176.094 -0.255 0.000 1.043 257 V CA -0.177 62.002 62.300 -0.202 0.000 0.915 257 V CB 0.980 32.594 31.823 -0.348 0.000 0.988 257 V HN 0.713 nan 8.190 nan 0.000 0.466 258 V N 1.492 121.218 119.914 -0.313 0.000 3.562 258 V HA 0.739 4.832 4.120 -0.045 0.000 0.270 258 V C 0.630 176.675 176.094 -0.082 0.000 1.418 258 V CA 0.644 62.909 62.300 -0.057 0.000 1.033 258 V CB 0.329 32.232 31.823 0.133 0.000 0.820 258 V HN 0.907 nan 8.190 nan 0.000 0.441 259 G N -0.644 107.955 108.800 -0.336 0.000 2.673 259 G HA2 0.556 4.489 3.960 -0.045 0.000 0.292 259 G HA3 0.556 4.489 3.960 -0.045 0.000 0.292 259 G C -2.509 172.320 174.900 -0.118 0.000 1.450 259 G CA -0.604 44.437 45.100 -0.098 0.000 0.837 259 G HN 0.401 nan 8.290 nan 0.000 0.505 260 Y N 0.418 120.707 120.300 -0.018 0.000 2.401 260 Y HA 0.687 5.211 4.550 -0.044 0.000 0.330 260 Y C -0.267 175.671 175.900 0.063 0.000 1.071 260 Y CA -1.140 56.965 58.100 0.008 0.000 1.049 260 Y CB 1.963 40.513 38.460 0.150 0.000 1.239 260 Y HN 0.925 nan 8.280 nan 0.000 0.437 261 G N 5.581 114.301 108.800 -0.133 0.000 2.544 261 G HA2 0.475 4.408 3.960 -0.045 0.000 0.313 261 G HA3 0.475 4.408 3.960 -0.045 0.000 0.313 261 G C -1.730 172.988 174.900 -0.304 0.000 1.316 261 G CA -1.044 43.919 45.100 -0.230 0.000 0.944 261 G HN 0.756 nan 8.290 nan 0.000 0.489 262 N N 0.690 119.173 118.700 -0.363 0.000 2.410 262 N HA 0.628 5.341 4.740 -0.045 0.000 0.287 262 N C -0.432 175.029 175.510 -0.082 0.000 1.044 262 N CA -0.660 52.276 53.050 -0.190 0.000 0.881 262 N CB 2.106 40.462 38.487 -0.220 0.000 1.405 262 N HN 0.567 nan 8.380 nan 0.000 0.490 263 T N -2.014 112.538 114.554 -0.004 0.000 2.804 263 T HA 0.643 4.967 4.350 -0.045 0.000 0.290 263 T C -0.999 173.718 174.700 0.029 0.000 1.099 263 T CA -0.763 61.336 62.100 -0.002 0.000 1.011 263 T CB 1.477 70.332 68.868 -0.022 0.000 1.291 263 T HN 0.703 nan 8.240 nan 0.000 0.523 264 C N 1.041 120.346 119.300 0.009 0.000 2.482 264 C HA 0.582 5.015 4.460 -0.045 0.000 0.317 264 C C 0.966 175.952 174.990 -0.006 0.000 1.197 264 C CA -0.430 58.591 59.018 0.006 0.000 1.432 264 C CB 0.544 28.288 27.740 0.007 0.000 2.062 264 C HN 0.976 nan 8.230 nan 0.000 0.471 265 D N 2.909 123.311 120.400 0.003 0.000 2.144 265 D HA 0.014 4.627 4.640 -0.045 0.000 0.200 265 D C 1.615 177.975 176.300 0.099 0.000 0.978 265 D CA 1.791 55.813 54.000 0.037 0.000 0.833 265 D CB -0.200 40.657 40.800 0.095 0.000 0.961 265 D HN 1.142 nan 8.370 nan 0.000 0.470 266 A N -0.695 122.169 122.820 0.073 0.000 2.596 266 A HA -0.286 4.007 4.320 -0.045 0.000 0.300 266 A C 0.538 178.203 177.584 0.135 0.000 1.495 266 A CA 1.551 53.629 52.037 0.068 0.000 0.769 266 A CB -2.196 16.827 19.000 0.038 0.000 1.047 266 A HN 0.544 nan 8.150 nan 0.000 0.436 267 Y N -1.192 119.139 120.300 0.051 0.000 3.011 267 Y HA 0.383 4.906 4.550 -0.045 0.000 0.231 267 Y C 0.888 176.858 175.900 0.118 0.000 0.983 267 Y CA 0.993 59.154 58.100 0.102 0.000 1.429 267 Y CB 0.643 39.209 38.460 0.177 0.000 1.491 267 Y HN 0.679 nan 8.280 nan 0.000 0.444 268 H N 0.188 119.398 119.070 0.233 0.000 2.851 268 H HA 0.323 4.852 4.556 -0.045 0.000 0.372 268 H C 0.320 175.721 175.328 0.122 0.000 1.158 268 H CA -0.349 55.780 56.048 0.135 0.000 1.159 268 H CB 2.229 32.132 29.762 0.234 0.000 1.757 268 H HN 0.401 nan 8.280 nan 0.000 0.546 269 M N 1.330 120.853 119.600 -0.129 0.000 2.213 269 M HA -0.117 4.336 4.480 -0.045 0.000 0.263 269 M C 1.389 177.856 176.300 0.279 0.000 1.062 269 M CA 2.511 57.833 55.300 0.037 0.000 1.105 269 M CB 0.080 32.632 32.600 -0.081 0.000 1.385 269 M HN 0.707 nan 8.290 nan 0.000 0.417 270 T N -5.951 108.934 114.554 0.550 0.000 2.992 270 T HA 0.223 4.546 4.350 -0.045 0.000 0.255 270 T C 0.609 175.626 174.700 0.528 0.000 0.938 270 T CA -0.417 62.034 62.100 0.585 0.000 0.895 270 T CB 0.196 69.328 68.868 0.439 0.000 1.221 270 T HN -0.001 nan 8.240 nan 0.000 0.512 271 S N 4.153 120.061 115.700 0.348 0.000 2.525 271 S HA 0.577 5.021 4.470 -0.045 0.000 0.278 271 S C -2.478 172.201 174.600 0.131 0.000 1.234 271 S CA -1.012 57.240 58.200 0.086 0.000 1.058 271 S CB 1.161 64.186 63.200 -0.291 0.000 0.983 271 S HN 0.356 nan 8.310 nan 0.000 0.495 272 P HA 0.027 nan 4.420 nan 0.000 0.274 272 P C -0.380 176.884 177.300 -0.059 0.000 1.231 272 P CA -0.378 62.736 63.100 0.022 0.000 0.790 272 P CB 0.313 32.010 31.700 -0.005 0.000 0.951 273 H N 4.338 123.268 119.070 -0.234 0.000 3.094 273 H HA -0.018 4.511 4.556 -0.045 0.000 0.320 273 H C -1.168 173.940 175.328 -0.367 0.000 1.000 273 H CA -0.613 55.133 56.048 -0.505 0.000 1.413 273 H CB 0.541 30.013 29.762 -0.482 0.000 1.405 273 H HN 0.258 nan 8.280 nan 0.000 0.586 274 P HA -0.098 nan 4.420 nan 0.000 0.220 274 P C 0.235 177.419 177.300 -0.192 0.000 1.148 274 P CA 1.231 64.117 63.100 -0.356 0.000 0.803 274 P CB 0.307 31.786 31.700 -0.369 0.000 0.782 275 E N -1.051 119.102 120.200 -0.078 0.000 2.501 275 E HA 0.289 4.612 4.350 -0.045 0.000 0.200 275 E C 0.796 177.432 176.600 0.059 0.000 1.016 275 E CA 0.064 56.491 56.400 0.045 0.000 0.921 275 E CB -0.207 29.538 29.700 0.076 0.000 1.034 275 E HN 0.132 nan 8.360 nan 0.000 0.468 276 G N 2.650 111.479 108.800 0.048 0.000 2.249 276 G HA2 -0.407 3.527 3.960 -0.045 0.000 0.273 276 G HA3 -0.407 3.527 3.960 -0.045 0.000 0.273 276 G C 0.734 175.483 174.900 -0.251 0.000 1.036 276 G CA 0.924 45.929 45.100 -0.158 0.000 0.824 276 G HN 0.410 nan 8.290 nan 0.000 0.504 277 Q N -0.522 119.039 119.800 -0.399 0.000 2.084 277 Q HA -0.050 4.263 4.340 -0.045 0.000 0.202 277 Q C 2.712 178.502 176.000 -0.350 0.000 0.978 277 Q CA 2.329 57.840 55.803 -0.485 0.000 0.844 277 Q CB -0.567 27.630 28.738 -0.903 0.000 0.898 277 Q HN 0.688 nan 8.270 nan 0.000 0.426 278 G N -0.070 108.520 108.800 -0.350 0.000 2.421 278 G HA2 -0.150 3.783 3.960 -0.045 0.000 0.217 278 G HA3 -0.150 3.783 3.960 -0.045 0.000 0.217 278 G C 1.430 176.197 174.900 -0.221 0.000 1.143 278 G CA 0.672 45.639 45.100 -0.222 0.000 0.784 278 G HN 0.481 nan 8.290 nan 0.000 0.541 279 A N 0.915 123.500 122.820 -0.392 0.000 1.902 279 A HA 0.044 4.337 4.320 -0.045 0.000 0.217 279 A C 2.361 179.824 177.584 -0.202 0.000 1.181 279 A CA 1.155 52.877 52.037 -0.525 0.000 0.623 279 A CB -0.357 17.925 19.000 -1.197 0.000 0.818 279 A HN 0.364 nan 8.150 nan 0.000 0.443 280 I N -0.419 120.043 120.570 -0.180 0.000 2.163 280 I HA -0.321 3.823 4.170 -0.045 0.000 0.243 280 I C 2.481 178.563 176.117 -0.058 0.000 1.085 280 I CA 1.840 63.085 61.300 -0.091 0.000 1.347 280 I CB -0.276 37.666 38.000 -0.097 0.000 1.044 280 I HN 0.316 nan 8.210 nan 0.000 0.408 281 K N 0.619 120.974 120.400 -0.076 0.000 2.097 281 K HA -0.100 4.193 4.320 -0.045 0.000 0.205 281 K C 2.224 178.808 176.600 -0.028 0.000 1.050 281 K CA 1.341 57.596 56.287 -0.052 0.000 0.938 281 K CB -0.205 32.256 32.500 -0.065 0.000 0.718 281 K HN 0.319 nan 8.250 nan 0.000 0.442 282 A N 1.471 124.286 122.820 -0.008 0.000 1.898 282 A HA -0.115 4.178 4.320 -0.045 0.000 0.216 282 A C 2.096 179.709 177.584 0.047 0.000 1.181 282 A CA 1.131 53.186 52.037 0.031 0.000 0.620 282 A CB -0.502 18.567 19.000 0.116 0.000 0.819 282 A HN 0.146 nan 8.150 nan 0.000 0.442 283 I N -0.434 120.177 120.570 0.068 0.000 2.179 283 I HA -0.284 3.860 4.170 -0.045 0.000 0.242 283 I C 2.465 178.596 176.117 0.023 0.000 1.088 283 I CA 1.649 62.986 61.300 0.062 0.000 1.357 283 I CB -0.299 37.746 38.000 0.076 0.000 1.051 283 I HN 0.264 nan 8.210 nan 0.000 0.409 284 K N 0.686 121.090 120.400 0.007 0.000 2.057 284 K HA -0.145 4.148 4.320 -0.045 0.000 0.207 284 K C 2.138 178.735 176.600 -0.004 0.000 1.049 284 K CA 1.290 57.575 56.287 -0.004 0.000 0.931 284 K CB -0.224 32.269 32.500 -0.012 0.000 0.714 284 K HN 0.277 nan 8.250 nan 0.000 0.440 285 L N 0.417 121.635 121.223 -0.008 0.000 2.046 285 L HA -0.209 4.104 4.340 -0.045 0.000 0.208 285 L C 2.565 179.438 176.870 0.005 0.000 1.077 285 L CA 1.163 55.997 54.840 -0.010 0.000 0.747 285 L CB -0.519 41.517 42.059 -0.038 0.000 0.896 285 L HN 0.223 nan 8.230 nan 0.000 0.432 286 A N 0.061 122.884 122.820 0.005 0.000 1.902 286 A HA -0.162 4.131 4.320 -0.045 0.000 0.217 286 A C 2.214 179.803 177.584 0.007 0.000 1.181 286 A CA 1.392 53.437 52.037 0.014 0.000 0.623 286 A CB -0.679 18.325 19.000 0.006 0.000 0.818 286 A HN 0.367 nan 8.150 nan 0.000 0.443 287 L N -0.872 120.348 121.223 -0.004 0.000 2.093 287 L HA -0.186 4.127 4.340 -0.045 0.000 0.208 287 L C 2.655 179.516 176.870 -0.015 0.000 1.085 287 L CA 1.802 56.627 54.840 -0.025 0.000 0.755 287 L CB -0.607 41.433 42.059 -0.032 0.000 0.904 287 L HN 0.619 nan 8.230 nan 0.000 0.435 288 E N 0.688 120.890 120.200 0.002 0.000 2.077 288 E HA -0.289 4.035 4.350 -0.045 0.000 0.193 288 E C 2.096 178.718 176.600 0.036 0.000 0.989 288 E CA 1.412 57.819 56.400 0.013 0.000 0.800 288 E CB 0.080 29.788 29.700 0.015 0.000 0.746 288 E HN 0.473 nan 8.360 nan 0.000 0.452 289 E N -0.256 119.981 120.200 0.061 0.000 2.106 289 E HA -0.147 4.176 4.350 -0.045 0.000 0.192 289 E C 1.729 178.395 176.600 0.110 0.000 0.984 289 E CA 0.954 57.420 56.400 0.110 0.000 0.806 289 E CB -0.109 29.697 29.700 0.176 0.000 0.750 289 E HN 0.320 nan 8.360 nan 0.000 0.458 290 A N 0.564 123.427 122.820 0.072 0.000 2.167 290 A HA -0.056 4.237 4.320 -0.045 0.000 0.214 290 A C 0.384 177.989 177.584 0.033 0.000 1.151 290 A CA 0.829 52.906 52.037 0.066 0.000 0.735 290 A CB -0.265 18.751 19.000 0.027 0.000 0.802 290 A HN 0.427 nan 8.150 nan 0.000 0.467 291 E N -0.968 119.239 120.200 0.012 0.000 2.389 291 E HA -0.202 4.121 4.350 -0.045 0.000 0.243 291 E C -0.165 176.396 176.600 -0.066 0.000 1.154 291 E CA 0.753 57.149 56.400 -0.006 0.000 0.723 291 E CB -2.043 27.672 29.700 0.025 0.000 1.261 291 E HN 0.899 nan 8.360 nan 0.000 0.390 292 I N -2.835 117.659 120.570 -0.125 0.000 2.740 292 I HA 0.611 4.754 4.170 -0.045 0.000 0.303 292 I C 0.512 176.543 176.117 -0.143 0.000 1.044 292 I CA -1.012 60.156 61.300 -0.221 0.000 1.064 292 I CB 2.040 39.740 38.000 -0.499 0.000 1.249 292 I HN -0.008 nan 8.210 nan 0.000 0.433 293 S N 2.552 118.175 115.700 -0.128 0.000 2.632 293 S HA 0.490 4.933 4.470 -0.045 0.000 0.271 293 S C -1.936 172.619 174.600 -0.076 0.000 1.260 293 S CA -1.088 57.065 58.200 -0.077 0.000 1.010 293 S CB 1.058 64.227 63.200 -0.052 0.000 0.965 293 S HN 0.599 nan 8.310 nan 0.000 0.534 294 P HA -0.127 nan 4.420 nan 0.000 0.216 294 P C 0.777 178.067 177.300 -0.017 0.000 1.150 294 P CA 1.351 64.435 63.100 -0.026 0.000 0.843 294 P CB -0.106 31.587 31.700 -0.012 0.000 0.787 295 E N -0.678 119.513 120.200 -0.015 0.000 2.409 295 E HA -0.152 4.172 4.350 -0.045 0.000 0.198 295 E C 1.882 178.487 176.600 0.008 0.000 1.024 295 E CA 0.762 57.162 56.400 0.001 0.000 0.861 295 E CB -0.638 29.063 29.700 0.002 0.000 0.788 295 E HN 0.457 nan 8.360 nan 0.000 0.521 296 Q N 0.018 119.805 119.800 -0.023 0.000 2.432 296 Q HA 0.061 4.374 4.340 -0.045 0.000 0.205 296 Q C -0.090 175.941 176.000 0.052 0.000 0.945 296 Q CA 0.084 55.880 55.803 -0.011 0.000 0.924 296 Q CB 0.616 29.255 28.738 -0.166 0.000 1.016 296 Q HN 0.109 nan 8.270 nan 0.000 0.503 297 V N 1.311 121.244 119.914 0.032 0.000 2.479 297 V HA 0.070 4.164 4.120 -0.045 0.000 0.281 297 V C 0.706 176.873 176.094 0.121 0.000 1.031 297 V CA 0.439 62.794 62.300 0.091 0.000 1.038 297 V CB 1.000 32.855 31.823 0.054 0.000 0.981 297 V HN 0.213 nan 8.190 nan 0.000 0.478 298 A N 4.818 127.744 122.820 0.176 0.000 2.343 298 A HA 0.388 4.681 4.320 -0.045 0.000 0.223 298 A C 0.132 177.858 177.584 0.236 0.000 1.214 298 A CA 0.223 52.361 52.037 0.169 0.000 0.900 298 A CB 0.290 19.388 19.000 0.163 0.000 0.942 298 A HN 0.815 nan 8.150 nan 0.000 0.507 299 Y N -1.375 118.973 120.300 0.081 0.000 2.474 299 Y HA 0.477 4.999 4.550 -0.046 0.000 0.326 299 Y C -1.998 173.954 175.900 0.087 0.000 1.160 299 Y CA -1.648 56.492 58.100 0.067 0.000 1.056 299 Y CB 1.189 39.689 38.460 0.067 0.000 1.330 299 Y HN -0.119 nan 8.280 nan 0.000 0.447 300 V N 6.384 126.015 119.914 -0.472 0.000 2.378 300 V HA 0.321 4.414 4.120 -0.045 0.000 0.288 300 V C -0.266 175.312 176.094 -0.859 0.000 1.016 300 V CA -1.002 60.999 62.300 -0.498 0.000 0.840 300 V CB 1.491 33.224 31.823 -0.149 0.000 0.994 300 V HN 0.777 nan 8.190 nan 0.000 0.431 301 N N 4.102 122.337 118.700 -0.776 0.000 2.439 301 N HA 0.323 5.036 4.740 -0.045 0.000 0.243 301 N C 0.157 175.606 175.510 -0.101 0.000 1.088 301 N CA -0.128 52.718 53.050 -0.339 0.000 0.940 301 N CB 1.501 39.920 38.487 -0.113 0.000 1.180 301 N HN 0.834 nan 8.380 nan 0.000 0.505 302 A N 2.808 125.638 122.820 0.016 0.000 2.406 302 A HA 0.011 4.305 4.320 -0.045 0.000 0.243 302 A C 1.268 178.871 177.584 0.031 0.000 1.082 302 A CA -0.067 52.030 52.037 0.100 0.000 0.786 302 A CB 0.198 19.392 19.000 0.323 0.000 1.029 302 A HN 0.921 nan 8.150 nan 0.000 0.495 303 H N 0.987 119.980 119.070 -0.129 0.000 2.270 303 H HA 0.074 4.603 4.556 -0.045 0.000 0.299 303 H C 1.507 176.729 175.328 -0.177 0.000 1.077 303 H CA 2.136 58.052 56.048 -0.219 0.000 1.294 303 H CB -0.578 29.008 29.762 -0.294 0.000 1.371 303 H HN 1.380 nan 8.280 nan 0.000 0.491 304 G N 0.197 108.865 108.800 -0.221 0.000 2.386 304 G HA2 -0.308 3.625 3.960 -0.045 0.000 0.295 304 G HA3 -0.308 3.625 3.960 -0.045 0.000 0.295 304 G C 0.945 175.592 174.900 -0.423 0.000 0.979 304 G CA 0.951 45.847 45.100 -0.339 0.000 1.193 304 G HN 0.820 nan 8.290 nan 0.000 0.508 305 T N -2.865 111.361 114.554 -0.547 0.000 3.085 305 T HA 0.385 4.708 4.350 -0.045 0.000 0.263 305 T C 1.348 175.942 174.700 -0.177 0.000 1.127 305 T CA 1.128 62.943 62.100 -0.475 0.000 1.103 305 T CB 0.298 68.816 68.868 -0.585 0.000 0.921 305 T HN 1.782 nan 8.240 nan 0.000 0.510 306 S N 0.854 116.443 115.700 -0.185 0.000 3.807 306 S HA -0.123 4.320 4.470 -0.045 0.000 0.304 306 S C 0.204 174.781 174.600 -0.037 0.000 1.152 306 S CA 0.546 58.684 58.200 -0.103 0.000 0.852 306 S CB -2.027 61.147 63.200 -0.043 0.000 0.924 306 S HN 1.248 nan 8.310 nan 0.000 0.545 307 T N -1.320 113.208 114.554 -0.043 0.000 2.888 307 T HA 0.723 5.046 4.350 -0.045 0.000 0.284 307 T C -1.516 173.183 174.700 -0.001 0.000 1.017 307 T CA -1.685 60.426 62.100 0.018 0.000 1.022 307 T CB 1.833 70.751 68.868 0.083 0.000 1.013 307 T HN -0.079 nan 8.240 nan 0.000 0.465 308 P HA -0.114 nan 4.420 nan 0.000 0.215 308 P C 1.681 179.004 177.300 0.038 0.000 1.163 308 P CA 1.942 65.070 63.100 0.046 0.000 0.894 308 P CB -0.213 31.515 31.700 0.047 0.000 0.791 309 A N -0.981 121.850 122.820 0.018 0.000 1.930 309 A HA -0.234 4.059 4.320 -0.045 0.000 0.217 309 A C 2.262 179.846 177.584 0.000 0.000 1.175 309 A CA 2.136 54.169 52.037 -0.006 0.000 0.627 309 A CB -1.757 17.234 19.000 -0.015 0.000 0.815 309 A HN 0.193 nan 8.150 nan 0.000 0.443 310 N N -0.148 118.560 118.700 0.014 0.000 2.039 310 N HA -0.179 4.534 4.740 -0.045 0.000 0.193 310 N C 1.535 177.045 175.510 0.001 0.000 1.044 310 N CA 2.096 55.162 53.050 0.026 0.000 0.847 310 N CB -0.281 38.229 38.487 0.038 0.000 1.030 310 N HN 0.487 nan 8.380 nan 0.000 0.422 311 E N 0.015 120.167 120.200 -0.080 0.000 2.208 311 E HA -0.083 4.240 4.350 -0.045 0.000 0.193 311 E C 1.717 178.384 176.600 0.112 0.000 0.988 311 E CA 0.553 56.868 56.400 -0.142 0.000 0.828 311 E CB -0.021 29.356 29.700 -0.538 0.000 0.763 311 E HN 0.375 nan 8.360 nan 0.000 0.478 312 K N 0.137 120.622 120.400 0.142 0.000 2.009 312 K HA -0.138 4.155 4.320 -0.045 0.000 0.210 312 K C 2.103 178.762 176.600 0.098 0.000 1.049 312 K CA 1.669 58.072 56.287 0.193 0.000 0.929 312 K CB -0.384 32.138 32.500 0.037 0.000 0.714 312 K HN 0.219 nan 8.250 nan 0.000 0.440 313 G N 0.529 109.346 108.800 0.028 0.000 2.403 313 G HA2 -0.263 3.671 3.960 -0.045 0.000 0.216 313 G HA3 -0.263 3.671 3.960 -0.045 0.000 0.216 313 G C 1.354 176.259 174.900 0.008 0.000 1.154 313 G CA 0.809 45.903 45.100 -0.010 0.000 0.784 313 G HN 0.532 nan 8.290 nan 0.000 0.538 314 E N 0.331 120.571 120.200 0.066 0.000 2.047 314 E HA -0.123 4.200 4.350 -0.045 0.000 0.191 314 E C 2.561 179.287 176.600 0.211 0.000 0.987 314 E CA 1.163 57.651 56.400 0.147 0.000 0.799 314 E CB -0.267 29.606 29.700 0.288 0.000 0.752 314 E HN 0.326 nan 8.360 nan 0.000 0.449 315 S N -0.470 115.398 115.700 0.280 0.000 2.370 315 S HA -0.138 4.305 4.470 -0.045 0.000 0.226 315 S C 2.001 176.685 174.600 0.140 0.000 1.033 315 S CA 1.610 59.962 58.200 0.253 0.000 1.011 315 S CB -0.743 62.634 63.200 0.295 0.000 0.852 315 S HN 0.486 nan 8.310 nan 0.000 0.457 316 G N 0.705 109.572 108.800 0.112 0.000 2.440 316 G HA2 -0.078 3.855 3.960 -0.045 0.000 0.218 316 G HA3 -0.078 3.855 3.960 -0.045 0.000 0.218 316 G C 1.690 176.610 174.900 0.033 0.000 1.154 316 G CA 1.047 46.184 45.100 0.062 0.000 0.767 316 G HN 0.715 nan 8.290 nan 0.000 0.552 317 A N 0.673 123.501 122.820 0.015 0.000 1.902 317 A HA 0.067 4.360 4.320 -0.045 0.000 0.217 317 A C 2.419 180.020 177.584 0.029 0.000 1.181 317 A CA 1.310 53.338 52.037 -0.014 0.000 0.623 317 A CB -0.351 18.595 19.000 -0.089 0.000 0.818 317 A HN 0.377 nan 8.150 nan 0.000 0.443 318 I N -0.499 120.115 120.570 0.072 0.000 2.179 318 I HA -0.213 3.930 4.170 -0.045 0.000 0.242 318 I C 2.349 178.494 176.117 0.047 0.000 1.088 318 I CA 1.124 62.468 61.300 0.074 0.000 1.357 318 I CB -0.329 37.729 38.000 0.098 0.000 1.051 318 I HN 0.149 nan 8.210 nan 0.000 0.409 319 V N 1.041 120.983 119.914 0.046 0.000 2.343 319 V HA -0.308 3.785 4.120 -0.045 0.000 0.247 319 V C 2.735 178.842 176.094 0.023 0.000 1.051 319 V CA 1.989 64.309 62.300 0.033 0.000 1.036 319 V CB -1.027 30.820 31.823 0.039 0.000 0.654 319 V HN 0.502 nan 8.190 nan 0.000 0.451 320 A N -0.260 122.571 122.820 0.018 0.000 1.883 320 A HA -0.173 4.120 4.320 -0.045 0.000 0.217 320 A C 2.332 179.918 177.584 0.004 0.000 1.186 320 A CA 2.452 54.493 52.037 0.006 0.000 0.624 320 A CB -0.588 18.409 19.000 -0.005 0.000 0.822 320 A HN 0.376 nan 8.150 nan 0.000 0.444 321 V N -1.027 118.891 119.914 0.008 0.000 2.500 321 V HA -0.007 4.086 4.120 -0.045 0.000 0.243 321 V C 2.171 178.270 176.094 0.009 0.000 1.039 321 V CA 1.534 63.838 62.300 0.006 0.000 1.053 321 V CB -0.412 31.417 31.823 0.009 0.000 0.695 321 V HN 0.505 nan 8.190 nan 0.000 0.463 322 L N -0.825 120.408 121.223 0.016 0.000 2.672 322 L HA 0.586 4.899 4.340 -0.045 0.000 0.236 322 L C 1.127 178.006 176.870 0.016 0.000 1.092 322 L CA 0.665 55.515 54.840 0.016 0.000 0.887 322 L CB 0.161 42.234 42.059 0.024 0.000 1.168 322 L HN 0.520 nan 8.230 nan 0.000 0.502 323 G N 0.998 109.808 108.800 0.017 0.000 2.660 323 G HA2 -0.227 3.706 3.960 -0.045 0.000 0.247 323 G HA3 -0.227 3.706 3.960 -0.045 0.000 0.247 323 G C -0.042 174.867 174.900 0.016 0.000 1.328 323 G CA -0.247 44.862 45.100 0.015 0.000 0.884 323 G HN 0.124 nan 8.290 nan 0.000 0.531 324 K N -0.022 120.386 120.400 0.013 0.000 2.374 324 K HA 0.163 4.456 4.320 -0.045 0.000 0.196 324 K C 1.518 178.121 176.600 0.004 0.000 1.023 324 K CA 0.604 56.896 56.287 0.009 0.000 1.103 324 K CB 0.347 32.853 32.500 0.010 0.000 0.848 324 K HN 0.377 nan 8.250 nan 0.000 0.528 325 E N 0.497 120.702 120.200 0.008 0.000 2.251 325 E HA -0.003 4.320 4.350 -0.045 0.000 0.194 325 E C 0.489 177.097 176.600 0.013 0.000 0.964 325 E CA 0.127 56.531 56.400 0.007 0.000 0.868 325 E CB 0.079 29.785 29.700 0.010 0.000 0.828 325 E HN -0.031 nan 8.360 nan 0.000 0.481 326 V N 4.267 124.194 119.914 0.022 0.000 2.599 326 V HA 0.029 4.122 4.120 -0.045 0.000 0.300 326 V C -2.398 173.720 176.094 0.040 0.000 1.034 326 V CA -1.327 60.997 62.300 0.040 0.000 1.115 326 V CB 0.614 32.463 31.823 0.044 0.000 0.934 326 V HN -0.060 nan 8.190 nan 0.000 0.485 327 P HA 0.242 nan 4.420 nan 0.000 0.271 327 P C -1.122 176.264 177.300 0.142 0.000 1.220 327 P CA 0.125 63.275 63.100 0.083 0.000 0.768 327 P CB 0.796 32.548 31.700 0.087 0.000 0.848 328 V N 3.054 123.005 119.914 0.061 0.000 2.540 328 V HA 0.632 4.725 4.120 -0.045 0.000 0.302 328 V C 0.035 176.174 176.094 0.075 0.000 1.035 328 V CA -0.386 61.927 62.300 0.022 0.000 0.873 328 V CB 1.819 33.568 31.823 -0.123 0.000 0.992 328 V HN 0.719 nan 8.190 nan 0.000 0.428 329 S N 2.282 118.113 115.700 0.218 0.000 2.564 329 S HA 0.738 5.181 4.470 -0.045 0.000 0.274 329 S C -0.755 174.013 174.600 0.280 0.000 1.124 329 S CA -0.684 57.664 58.200 0.247 0.000 0.869 329 S CB 2.051 65.416 63.200 0.275 0.000 1.105 329 S HN 0.770 nan 8.310 nan 0.000 0.472 330 S N 0.951 116.835 115.700 0.306 0.000 2.456 330 S HA 0.491 4.934 4.470 -0.045 0.000 0.316 330 S C 0.837 175.567 174.600 0.217 0.000 1.089 330 S CA -0.138 58.202 58.200 0.234 0.000 1.101 330 S CB 0.607 63.922 63.200 0.192 0.000 0.995 330 S HN 0.999 nan 8.310 nan 0.000 0.468 331 T N 2.338 117.009 114.554 0.194 0.000 3.129 331 T HA 0.199 4.522 4.350 -0.045 0.000 0.251 331 T C 1.166 175.986 174.700 0.199 0.000 1.117 331 T CA 0.008 62.249 62.100 0.236 0.000 1.034 331 T CB -0.191 68.746 68.868 0.115 0.000 0.968 331 T HN 0.639 nan 8.240 nan 0.000 0.526 332 K N 1.932 122.392 120.400 0.100 0.000 2.362 332 K HA -0.059 4.234 4.320 -0.045 0.000 0.200 332 K C 2.553 179.193 176.600 0.066 0.000 1.046 332 K CA 1.233 57.550 56.287 0.050 0.000 0.952 332 K CB -0.196 32.256 32.500 -0.080 0.000 0.753 332 K HN 0.604 nan 8.250 nan 0.000 0.466 333 S N 0.177 115.923 115.700 0.077 0.000 2.419 333 S HA -0.130 4.314 4.470 -0.045 0.000 0.233 333 S C 1.645 176.190 174.600 -0.093 0.000 1.016 333 S CA 0.925 59.115 58.200 -0.017 0.000 0.974 333 S CB -0.300 62.871 63.200 -0.047 0.000 0.786 333 S HN 0.198 nan 8.310 nan 0.000 0.492 334 F N 2.048 121.979 119.950 -0.032 0.000 2.419 334 F HA 0.167 4.668 4.527 -0.043 0.000 0.283 334 F C 2.915 178.694 175.800 -0.036 0.000 1.044 334 F CA 1.067 59.032 58.000 -0.060 0.000 1.376 334 F CB -0.594 38.331 39.000 -0.125 0.000 1.131 334 F HN 0.328 nan 8.300 nan 0.000 0.585 335 T N -2.219 112.458 114.554 0.205 0.000 3.065 335 T HA 0.482 4.805 4.350 -0.045 0.000 0.252 335 T C 1.193 175.967 174.700 0.123 0.000 1.099 335 T CA 0.378 62.568 62.100 0.150 0.000 1.063 335 T CB -0.516 68.455 68.868 0.171 0.000 0.948 335 T HN 0.462 nan 8.240 nan 0.000 0.506 336 G N 1.472 110.338 108.800 0.109 0.000 2.804 336 G HA2 -0.226 3.708 3.960 -0.045 0.000 0.230 336 G HA3 -0.226 3.708 3.960 -0.045 0.000 0.230 336 G C -0.672 174.312 174.900 0.140 0.000 1.386 336 G CA -0.262 44.910 45.100 0.121 0.000 0.875 336 G HN 0.831 nan 8.290 nan 0.000 0.557 337 H N 0.279 119.356 119.070 0.011 0.000 2.782 337 H HA 0.487 5.016 4.556 -0.045 0.000 0.285 337 H C 1.197 176.480 175.328 -0.073 0.000 1.093 337 H CA -0.886 55.081 56.048 -0.135 0.000 1.410 337 H CB 0.756 30.242 29.762 -0.461 0.000 1.439 337 H HN 0.354 nan 8.280 nan 0.000 0.469 338 L N 6.447 127.794 121.223 0.207 0.000 2.612 338 L HA 0.064 4.377 4.340 -0.045 0.000 0.230 338 L C 1.246 178.118 176.870 0.002 0.000 1.140 338 L CA 0.511 55.404 54.840 0.089 0.000 0.896 338 L CB -0.821 41.308 42.059 0.117 0.000 1.065 338 L HN 0.774 nan 8.230 nan 0.000 0.447 339 L N -1.539 119.558 121.223 -0.210 0.000 6.079 339 L HA -0.401 3.912 4.340 -0.045 0.000 0.053 339 L C 1.833 178.716 176.870 0.021 0.000 2.483 339 L CA 1.220 55.900 54.840 -0.266 0.000 1.581 339 L CB -1.781 40.130 42.059 -0.246 0.000 2.843 339 L HN 0.237 nan 8.230 nan 0.000 1.020 340 G N -1.103 107.732 108.800 0.057 0.000 2.498 340 G HA2 0.060 3.993 3.960 -0.045 0.000 0.219 340 G HA3 0.060 3.993 3.960 -0.045 0.000 0.219 340 G C 1.156 176.113 174.900 0.095 0.000 1.119 340 G CA 1.170 46.322 45.100 0.088 0.000 0.766 340 G HN 0.875 nan 8.290 nan 0.000 0.552 341 A N 0.179 123.060 122.820 0.100 0.000 2.238 341 A HA 0.673 4.966 4.320 -0.045 0.000 0.210 341 A C 2.491 180.131 177.584 0.094 0.000 1.179 341 A CA 1.214 53.312 52.037 0.100 0.000 0.827 341 A CB -0.154 18.915 19.000 0.114 0.000 0.856 341 A HN 0.483 nan 8.150 nan 0.000 0.488 342 A N 0.135 123.021 122.820 0.111 0.000 1.877 342 A HA 0.079 4.373 4.320 -0.045 0.000 0.216 342 A C 2.325 179.961 177.584 0.087 0.000 1.186 342 A CA 1.907 54.016 52.037 0.120 0.000 0.620 342 A CB -1.272 17.830 19.000 0.169 0.000 0.822 342 A HN 0.689 nan 8.150 nan 0.000 0.443 343 G N -0.733 108.113 108.800 0.076 0.000 2.422 343 G HA2 0.028 3.961 3.960 -0.045 0.000 0.218 343 G HA3 0.028 3.961 3.960 -0.045 0.000 0.218 343 G C 1.710 176.645 174.900 0.058 0.000 1.146 343 G CA 1.461 46.598 45.100 0.062 0.000 0.769 343 G HN 0.794 nan 8.290 nan 0.000 0.547 344 A N 0.137 122.986 122.820 0.048 0.000 1.873 344 A HA 0.121 4.414 4.320 -0.045 0.000 0.215 344 A C 2.583 180.154 177.584 -0.021 0.000 1.186 344 A CA 1.718 53.769 52.037 0.024 0.000 0.616 344 A CB -0.632 18.386 19.000 0.031 0.000 0.823 344 A HN 0.236 nan 8.150 nan 0.000 0.442 345 V N 0.256 120.167 119.914 -0.004 0.000 2.407 345 V HA -0.249 3.844 4.120 -0.045 0.000 0.248 345 V C 2.313 178.421 176.094 0.023 0.000 1.055 345 V CA 2.259 64.535 62.300 -0.039 0.000 1.049 345 V CB -0.845 31.002 31.823 0.040 0.000 0.662 345 V HN 0.643 nan 8.190 nan 0.000 0.455 346 E N 0.172 120.410 120.200 0.063 0.000 2.208 346 E HA -0.087 4.236 4.350 -0.045 0.000 0.193 346 E C 2.275 178.885 176.600 0.016 0.000 0.988 346 E CA 1.014 57.462 56.400 0.080 0.000 0.828 346 E CB -0.268 29.479 29.700 0.079 0.000 0.763 346 E HN 0.616 nan 8.360 nan 0.000 0.478 347 A N 1.138 123.942 122.820 -0.027 0.000 1.898 347 A HA -0.151 4.142 4.320 -0.045 0.000 0.216 347 A C 2.144 179.512 177.584 -0.360 0.000 1.181 347 A CA 0.917 52.855 52.037 -0.165 0.000 0.620 347 A CB -0.480 18.528 19.000 0.013 0.000 0.819 347 A HN 0.130 nan 8.150 nan 0.000 0.442 348 I N -0.339 120.035 120.570 -0.327 0.000 2.163 348 I HA -0.238 3.905 4.170 -0.045 0.000 0.243 348 I C 2.362 178.360 176.117 -0.197 0.000 1.085 348 I CA 1.223 62.218 61.300 -0.508 0.000 1.347 348 I CB -0.486 37.160 38.000 -0.591 0.000 1.044 348 I HN 0.150 nan 8.210 nan 0.000 0.408 349 V N 0.699 120.658 119.914 0.074 0.000 2.252 349 V HA -0.347 3.746 4.120 -0.045 0.000 0.249 349 V C 2.521 178.720 176.094 0.175 0.000 1.056 349 V CA 2.709 65.171 62.300 0.271 0.000 1.022 349 V CB -1.116 30.873 31.823 0.278 0.000 0.641 349 V HN 0.493 nan 8.190 nan 0.000 0.445 350 T N 0.017 114.597 114.554 0.044 0.000 2.746 350 T HA -0.088 4.235 4.350 -0.045 0.000 0.267 350 T C 1.811 176.452 174.700 -0.099 0.000 1.039 350 T CA 1.747 63.874 62.100 0.046 0.000 1.142 350 T CB -0.277 68.525 68.868 -0.110 0.000 0.866 350 T HN 0.350 nan 8.240 nan 0.000 0.444 351 I N 0.923 121.312 120.570 -0.302 0.000 2.179 351 I HA -0.132 4.011 4.170 -0.045 0.000 0.242 351 I C 2.757 178.821 176.117 -0.087 0.000 1.088 351 I CA 1.099 62.261 61.300 -0.231 0.000 1.357 351 I CB -0.312 37.510 38.000 -0.296 0.000 1.051 351 I HN 0.113 nan 8.210 nan 0.000 0.409 352 E N 0.948 121.110 120.200 -0.064 0.000 2.118 352 E HA -0.214 4.109 4.350 -0.045 0.000 0.195 352 E C 2.310 178.801 176.600 -0.181 0.000 0.992 352 E CA 1.452 57.812 56.400 -0.065 0.000 0.804 352 E CB -0.301 29.430 29.700 0.052 0.000 0.741 352 E HN 0.519 nan 8.360 nan 0.000 0.458 353 A N 1.012 123.839 122.820 0.012 0.000 1.902 353 A HA -0.158 4.135 4.320 -0.045 0.000 0.217 353 A C 2.294 179.887 177.584 0.015 0.000 1.181 353 A CA 1.586 53.667 52.037 0.072 0.000 0.623 353 A CB -0.484 18.538 19.000 0.036 0.000 0.818 353 A HN 0.168 nan 8.150 nan 0.000 0.443 354 M N -1.149 118.457 119.600 0.010 0.000 2.159 354 M HA -0.137 4.316 4.480 -0.045 0.000 0.263 354 M C 2.294 178.571 176.300 -0.039 0.000 1.063 354 M CA 1.439 56.745 55.300 0.009 0.000 1.110 354 M CB -0.343 32.270 32.600 0.022 0.000 1.374 354 M HN 0.348 nan 8.290 nan 0.000 0.411 355 R N -0.963 119.477 120.500 -0.101 0.000 2.189 355 R HA -0.048 4.265 4.340 -0.045 0.000 0.218 355 R C 1.432 177.530 176.300 -0.337 0.000 1.074 355 R CA 0.716 56.694 56.100 -0.204 0.000 0.991 355 R CB -0.131 30.017 30.300 -0.253 0.000 0.883 355 R HN 0.538 nan 8.270 nan 0.000 0.457 356 H N 0.254 119.169 119.070 -0.258 0.000 2.586 356 H HA 0.165 4.695 4.556 -0.044 0.000 0.273 356 H C -0.086 175.240 175.328 -0.004 0.000 0.997 356 H CA -0.105 55.813 56.048 -0.217 0.000 1.177 356 H CB 0.487 29.970 29.762 -0.466 0.000 1.471 356 H HN 0.166 nan 8.280 nan 0.000 0.538 357 N N 0.286 119.049 118.700 0.105 0.000 2.738 357 N HA -0.240 4.473 4.740 -0.045 0.000 0.249 357 N C -0.874 174.782 175.510 0.244 0.000 1.047 357 N CA 0.792 53.916 53.050 0.124 0.000 0.707 357 N CB -1.889 36.652 38.487 0.089 0.000 0.937 357 N HN 0.288 nan 8.380 nan 0.000 0.545 358 F N -0.260 119.731 119.950 0.070 0.000 2.630 358 F HA 0.315 4.815 4.527 -0.045 0.000 0.325 358 F C -0.744 175.067 175.800 0.018 0.000 1.184 358 F CA -0.744 57.318 58.000 0.103 0.000 1.011 358 F CB 1.344 40.511 39.000 0.280 0.000 1.268 358 F HN -0.163 nan 8.300 nan 0.000 0.480 359 V N 7.894 127.448 119.914 -0.599 0.000 2.389 359 V HA 0.287 4.380 4.120 -0.045 0.000 0.264 359 V C -1.992 173.721 176.094 -0.636 0.000 1.049 359 V CA -1.560 60.333 62.300 -0.678 0.000 0.932 359 V CB 0.477 31.963 31.823 -0.561 0.000 1.011 359 V HN 0.510 nan 8.190 nan 0.000 0.475 360 P HA 0.131 nan 4.420 nan 0.000 0.269 360 P C 0.006 177.270 177.300 -0.059 0.000 1.209 360 P CA -0.243 62.769 63.100 -0.147 0.000 0.776 360 P CB 0.450 32.033 31.700 -0.195 0.000 0.876 361 M N 0.244 119.878 119.600 0.056 0.000 2.198 361 M HA 0.273 4.726 4.480 -0.045 0.000 0.315 361 M C -0.374 176.078 176.300 0.253 0.000 1.134 361 M CA 0.479 55.850 55.300 0.120 0.000 1.171 361 M CB -0.201 32.468 32.600 0.115 0.000 1.413 361 M HN 0.064 nan 8.290 nan 0.000 0.467 362 T N 2.598 117.273 114.554 0.201 0.000 2.738 362 T HA 0.489 4.813 4.350 -0.045 0.000 0.294 362 T C 0.373 175.120 174.700 0.077 0.000 0.914 362 T CA -0.371 61.844 62.100 0.192 0.000 1.052 362 T CB -0.159 68.838 68.868 0.215 0.000 0.897 362 T HN 0.729 nan 8.240 nan 0.000 0.522 363 A N 2.833 125.582 122.820 -0.120 0.000 2.448 363 A HA 0.584 4.877 4.320 -0.045 0.000 0.239 363 A C 1.683 179.158 177.584 -0.181 0.000 1.080 363 A CA 0.241 52.077 52.037 -0.334 0.000 0.779 363 A CB -0.619 17.814 19.000 -0.945 0.000 1.026 363 A HN 1.373 nan 8.150 nan 0.000 0.499 364 G N 0.173 108.884 108.800 -0.148 0.000 2.779 364 G HA2 -0.278 3.655 3.960 -0.045 0.000 0.230 364 G HA3 -0.278 3.655 3.960 -0.045 0.000 0.230 364 G C 0.756 175.619 174.900 -0.061 0.000 1.243 364 G CA 0.840 45.880 45.100 -0.100 0.000 0.769 364 G HN 1.388 nan 8.290 nan 0.000 0.516 365 T N 1.604 116.128 114.554 -0.050 0.000 2.946 365 T HA 0.435 4.758 4.350 -0.045 0.000 0.311 365 T C 1.515 176.122 174.700 -0.154 0.000 1.063 365 T CA 1.320 63.360 62.100 -0.101 0.000 1.139 365 T CB 1.233 70.059 68.868 -0.070 0.000 0.994 365 T HN 1.341 nan 8.240 nan 0.000 0.547 366 S N 1.426 116.968 115.700 -0.263 0.000 2.882 366 S HA 0.230 4.673 4.470 -0.045 0.000 0.258 366 S C -0.007 174.369 174.600 -0.374 0.000 1.081 366 S CA -0.591 57.478 58.200 -0.219 0.000 0.886 366 S CB 0.419 63.578 63.200 -0.067 0.000 0.855 366 S HN 0.655 nan 8.310 nan 0.000 0.467 367 E N 1.715 121.706 120.200 -0.349 0.000 2.460 367 E HA 0.515 4.838 4.350 -0.045 0.000 0.249 367 E C -1.618 174.825 176.600 -0.261 0.000 0.962 367 E CA -0.496 55.751 56.400 -0.255 0.000 0.787 367 E CB 2.299 31.921 29.700 -0.130 0.000 1.341 367 E HN 0.139 nan 8.360 nan 0.000 0.407 368 V N 2.325 122.057 119.914 -0.304 0.000 2.614 368 V HA 0.064 4.157 4.120 -0.045 0.000 0.291 368 V C 0.572 176.549 176.094 -0.194 0.000 1.049 368 V CA -0.250 61.921 62.300 -0.215 0.000 1.038 368 V CB 1.471 33.187 31.823 -0.179 0.000 0.980 368 V HN 0.673 nan 8.190 nan 0.000 0.481 369 S N 3.424 118.976 115.700 -0.247 0.000 2.573 369 S HA -0.070 4.373 4.470 -0.045 0.000 0.297 369 S C 1.167 175.495 174.600 -0.454 0.000 1.280 369 S CA 0.086 58.018 58.200 -0.448 0.000 1.061 369 S CB 0.264 62.922 63.200 -0.905 0.000 0.812 369 S HN 1.016 nan 8.310 nan 0.000 0.500 370 D N 2.606 122.807 120.400 -0.332 0.000 2.158 370 D HA -0.250 4.363 4.640 -0.045 0.000 0.197 370 D C 1.338 177.576 176.300 -0.103 0.000 0.995 370 D CA 1.771 55.679 54.000 -0.153 0.000 0.846 370 D CB -0.580 40.197 40.800 -0.039 0.000 0.941 370 D HN 0.869 nan 8.370 nan 0.000 0.456 371 Y N -0.278 120.037 120.300 0.024 0.000 2.546 371 Y HA 0.354 4.877 4.550 -0.045 0.000 0.287 371 Y C 0.839 176.762 175.900 0.038 0.000 1.158 371 Y CA -0.945 57.170 58.100 0.026 0.000 1.307 371 Y CB -0.703 37.770 38.460 0.021 0.000 1.036 371 Y HN -0.141 nan 8.280 nan 0.000 0.532 372 I N 2.521 123.041 120.570 -0.084 0.000 2.379 372 I HA 0.037 4.180 4.170 -0.045 0.000 0.290 372 I C 0.508 176.646 176.117 0.036 0.000 1.063 372 I CA 0.405 61.734 61.300 0.049 0.000 1.351 372 I CB 1.082 39.092 38.000 0.015 0.000 1.410 372 I HN 0.311 nan 8.210 nan 0.000 0.505 373 E N 4.502 124.742 120.200 0.067 0.000 2.472 373 E HA 0.165 4.488 4.350 -0.045 0.000 0.196 373 E C 0.735 177.344 176.600 0.016 0.000 1.033 373 E CA -0.241 56.182 56.400 0.039 0.000 0.886 373 E CB 0.541 30.272 29.700 0.051 0.000 0.944 373 E HN 0.760 nan 8.360 nan 0.000 0.492 374 A N 1.840 124.663 122.820 0.004 0.000 2.406 374 A HA 0.065 4.359 4.320 -0.045 0.000 0.243 374 A C 0.337 177.877 177.584 -0.072 0.000 1.082 374 A CA -0.305 51.711 52.037 -0.036 0.000 0.786 374 A CB 0.155 19.116 19.000 -0.065 0.000 1.029 374 A HN 0.067 nan 8.150 nan 0.000 0.495 375 N N 1.591 120.254 118.700 -0.062 0.000 2.895 375 N HA 0.201 4.914 4.740 -0.045 0.000 0.277 375 N C -0.735 174.716 175.510 -0.098 0.000 1.185 375 N CA -0.038 52.978 53.050 -0.056 0.000 1.106 375 N CB -0.432 38.036 38.487 -0.030 0.000 1.422 375 N HN 0.276 nan 8.380 nan 0.000 0.521 376 V N 3.088 122.919 119.914 -0.139 0.000 2.470 376 V HA 0.088 4.181 4.120 -0.045 0.000 0.276 376 V C 0.433 176.533 176.094 0.011 0.000 1.040 376 V CA -0.616 61.571 62.300 -0.188 0.000 1.008 376 V CB 0.982 32.618 31.823 -0.311 0.000 0.990 376 V HN 0.201 nan 8.190 nan 0.000 0.477 377 V N 7.807 127.719 119.914 -0.004 0.000 2.432 377 V HA 0.428 4.521 4.120 -0.045 0.000 0.271 377 V C -0.295 175.850 176.094 0.084 0.000 1.046 377 V CA -0.184 62.101 62.300 -0.024 0.000 0.945 377 V CB 0.005 31.799 31.823 -0.048 0.000 0.992 377 V HN 0.884 nan 8.190 nan 0.000 0.471 378 Y N 2.049 122.329 120.300 -0.034 0.000 2.655 378 Y HA 0.852 5.375 4.550 -0.045 0.000 0.336 378 Y C 0.844 176.733 175.900 -0.019 0.000 1.154 378 Y CA -0.346 57.745 58.100 -0.016 0.000 1.055 378 Y CB 1.428 39.880 38.460 -0.014 0.000 1.295 378 Y HN 0.806 nan 8.280 nan 0.000 0.465 379 G N 0.409 109.275 108.800 0.110 0.000 2.900 379 G HA2 -0.153 3.780 3.960 -0.045 0.000 0.223 379 G HA3 -0.153 3.780 3.960 -0.045 0.000 0.223 379 G C -0.247 174.648 174.900 -0.008 0.000 1.293 379 G CA 0.751 45.862 45.100 0.020 0.000 0.792 379 G HN 1.277 nan 8.290 nan 0.000 0.527 380 Q N 0.728 120.502 119.800 -0.044 0.000 2.482 380 Q HA 0.608 4.921 4.340 -0.045 0.000 0.286 380 Q C 0.129 176.108 176.000 -0.034 0.000 1.007 380 Q CA -0.129 55.676 55.803 0.003 0.000 0.801 380 Q CB 0.905 29.649 28.738 0.010 0.000 1.455 380 Q HN 1.336 nan 8.270 nan 0.000 0.398 381 G N 0.649 109.460 108.800 0.019 0.000 2.616 381 G HA2 0.543 4.476 3.960 -0.045 0.000 0.268 381 G HA3 0.543 4.476 3.960 -0.045 0.000 0.268 381 G C -0.612 174.006 174.900 -0.471 0.000 1.213 381 G CA -0.761 44.157 45.100 -0.304 0.000 0.926 381 G HN 0.434 nan 8.290 nan 0.000 0.523 382 L N 0.315 121.054 121.223 -0.806 0.000 2.333 382 L HA 0.318 4.631 4.340 -0.045 0.000 0.280 382 L C -0.119 176.469 176.870 -0.469 0.000 1.004 382 L CA -0.543 54.023 54.840 -0.455 0.000 0.820 382 L CB 2.078 43.958 42.059 -0.299 0.000 1.247 382 L HN 0.567 nan 8.230 nan 0.000 0.416 383 E N 4.598 124.744 120.200 -0.090 0.000 2.257 383 E HA 0.306 4.629 4.350 -0.045 0.000 0.278 383 E C -0.741 175.869 176.600 0.017 0.000 1.049 383 E CA -0.097 56.364 56.400 0.102 0.000 0.876 383 E CB 0.859 30.662 29.700 0.171 0.000 1.035 383 E HN 0.431 nan 8.360 nan 0.000 0.419 384 K N 1.503 121.919 120.400 0.027 0.000 2.625 384 K HA 0.265 4.558 4.320 -0.045 0.000 0.284 384 K C -1.111 175.508 176.600 0.032 0.000 0.984 384 K CA -1.012 55.285 56.287 0.017 0.000 0.865 384 K CB 1.035 33.528 32.500 -0.011 0.000 1.468 384 K HN 0.025 nan 8.250 nan 0.000 0.407 385 E N 1.994 122.213 120.200 0.032 0.000 2.344 385 E HA 0.191 4.514 4.350 -0.045 0.000 0.270 385 E C -0.280 176.347 176.600 0.046 0.000 1.021 385 E CA -0.046 56.374 56.400 0.034 0.000 0.887 385 E CB 0.734 30.451 29.700 0.028 0.000 0.997 385 E HN 0.476 nan 8.360 nan 0.000 0.429 386 I N 4.797 125.397 120.570 0.049 0.000 2.668 386 I HA 0.146 4.289 4.170 -0.045 0.000 0.276 386 I C -1.922 174.236 176.117 0.068 0.000 1.139 386 I CA -1.725 59.625 61.300 0.083 0.000 1.133 386 I CB 1.387 39.444 38.000 0.095 0.000 1.327 386 I HN 0.152 nan 8.210 nan 0.000 0.520 387 P HA 0.020 nan 4.420 nan 0.000 0.227 387 P C -0.616 176.581 177.300 -0.170 0.000 1.161 387 P CA 1.150 64.228 63.100 -0.037 0.000 0.788 387 P CB 0.192 31.903 31.700 0.018 0.000 0.822 388 Y N -1.345 119.017 120.300 0.104 0.000 2.562 388 Y HA 0.671 5.195 4.550 -0.043 0.000 0.345 388 Y C -0.347 175.645 175.900 0.152 0.000 1.045 388 Y CA -1.158 57.016 58.100 0.125 0.000 1.028 388 Y CB 1.921 40.436 38.460 0.091 0.000 1.297 388 Y HN -0.248 nan 8.280 nan 0.000 0.463 389 A N 2.426 125.462 122.820 0.361 0.000 2.606 389 A HA 0.864 5.157 4.320 -0.045 0.000 0.293 389 A C -1.659 176.092 177.584 0.279 0.000 1.082 389 A CA -0.703 51.509 52.037 0.292 0.000 0.685 389 A CB 1.357 20.556 19.000 0.332 0.000 1.284 389 A HN 0.794 nan 8.150 nan 0.000 0.408 390 I N -1.542 119.114 120.570 0.144 0.000 2.846 390 I HA 0.897 5.040 4.170 -0.045 0.000 0.307 390 I C -0.427 175.727 176.117 0.061 0.000 1.053 390 I CA -0.680 60.691 61.300 0.118 0.000 1.050 390 I CB 2.342 40.370 38.000 0.046 0.000 1.239 390 I HN 0.534 nan 8.210 nan 0.000 0.439 391 S N 3.042 118.808 115.700 0.110 0.000 2.647 391 S HA 0.527 4.970 4.470 -0.045 0.000 0.300 391 S C -1.065 173.515 174.600 -0.033 0.000 1.129 391 S CA -0.707 57.523 58.200 0.049 0.000 1.029 391 S CB 0.814 64.113 63.200 0.164 0.000 1.007 391 S HN 0.720 nan 8.310 nan 0.000 0.484 392 N N 2.440 121.057 118.700 -0.139 0.000 2.473 392 N HA 0.578 5.291 4.740 -0.045 0.000 0.291 392 N C -0.667 174.554 175.510 -0.483 0.000 1.083 392 N CA -0.294 52.511 53.050 -0.408 0.000 0.951 392 N CB 1.755 39.919 38.487 -0.538 0.000 1.164 392 N HN 0.733 nan 8.380 nan 0.000 0.480 393 T N -1.606 112.527 114.554 -0.703 0.000 2.971 393 T HA 0.640 4.963 4.350 -0.045 0.000 0.304 393 T C -0.958 173.224 174.700 -0.864 0.000 1.038 393 T CA -0.697 61.048 62.100 -0.592 0.000 1.007 393 T CB 0.028 68.789 68.868 -0.178 0.000 1.055 393 T HN 0.307 nan 8.240 nan 0.000 0.451 394 F N 1.704 121.111 119.950 -0.906 0.000 2.691 394 F HA 0.574 5.075 4.527 -0.044 0.000 0.371 394 F C 0.926 176.334 175.800 -0.654 0.000 1.159 394 F CA -1.036 56.593 58.000 -0.619 0.000 1.174 394 F CB 1.558 40.295 39.000 -0.439 0.000 1.419 394 F HN 0.999 nan 8.300 nan 0.000 0.514 395 G N 0.910 109.629 108.800 -0.137 0.000 2.462 395 G HA2 0.515 4.448 3.960 -0.045 0.000 0.319 395 G HA3 0.515 4.448 3.960 -0.045 0.000 0.319 395 G C -0.630 174.309 174.900 0.065 0.000 1.171 395 G CA -0.642 44.413 45.100 -0.075 0.000 0.920 395 G HN 0.359 nan 8.290 nan 0.000 0.499 396 F N 0.416 120.529 119.950 0.272 0.000 2.623 396 F HA 0.285 4.786 4.527 -0.045 0.000 0.383 396 F C 1.635 177.584 175.800 0.247 0.000 1.077 396 F CA 1.627 59.784 58.000 0.261 0.000 1.268 396 F CB 0.739 39.917 39.000 0.296 0.000 1.053 396 F HN 0.817 nan 8.300 nan 0.000 0.571 397 G N 1.316 110.288 108.800 0.286 0.000 2.179 397 G HA2 0.027 3.960 3.960 -0.045 0.000 0.220 397 G HA3 0.027 3.960 3.960 -0.045 0.000 0.220 397 G C 0.849 175.573 174.900 -0.294 0.000 0.990 397 G CA -0.112 44.989 45.100 0.003 0.000 0.646 397 G HN 1.796 nan 8.290 nan 0.000 0.517 398 G N -1.086 107.657 108.800 -0.094 0.000 2.143 398 G HA2 -0.214 3.719 3.960 -0.045 0.000 0.249 398 G HA3 -0.214 3.719 3.960 -0.045 0.000 0.249 398 G C 0.027 174.873 174.900 -0.090 0.000 0.981 398 G CA 0.862 45.917 45.100 -0.075 0.000 0.665 398 G HN 1.512 nan 8.290 nan 0.000 0.528 399 H N 1.306 120.433 119.070 0.095 0.000 2.864 399 H HA 0.453 4.982 4.556 -0.044 0.000 0.281 399 H C 0.226 175.612 175.328 0.097 0.000 1.093 399 H CA -0.335 55.765 56.048 0.086 0.000 1.453 399 H CB 0.445 30.259 29.762 0.088 0.000 1.462 399 H HN 0.191 nan 8.280 nan 0.000 0.480 400 N N 2.241 121.073 118.700 0.220 0.000 2.421 400 N HA 0.567 5.281 4.740 -0.045 0.000 0.285 400 N C -0.816 174.816 175.510 0.203 0.000 1.027 400 N CA -0.519 52.704 53.050 0.288 0.000 0.918 400 N CB 2.171 40.812 38.487 0.256 0.000 1.152 400 N HN 0.656 nan 8.380 nan 0.000 0.485 401 A N 1.435 124.344 122.820 0.148 0.000 2.427 401 A HA 0.637 4.930 4.320 -0.045 0.000 0.298 401 A C -1.070 176.548 177.584 0.056 0.000 1.036 401 A CA -0.580 51.536 52.037 0.133 0.000 0.701 401 A CB 1.162 20.276 19.000 0.190 0.000 1.250 401 A HN 0.336 nan 8.150 nan 0.000 0.412 402 V N 3.165 123.145 119.914 0.110 0.000 2.588 402 V HA 0.508 4.601 4.120 -0.045 0.000 0.304 402 V C -0.501 175.637 176.094 0.074 0.000 1.042 402 V CA -0.365 61.969 62.300 0.058 0.000 0.877 402 V CB 1.626 33.493 31.823 0.074 0.000 0.996 402 V HN 0.800 nan 8.190 nan 0.000 0.425 403 L N 3.772 124.981 121.223 -0.023 0.000 2.329 403 L HA 0.879 5.192 4.340 -0.045 0.000 0.279 403 L C 0.193 176.858 176.870 -0.341 0.000 1.014 403 L CA -0.582 54.114 54.840 -0.239 0.000 0.814 403 L CB 1.925 43.748 42.059 -0.394 0.000 1.257 403 L HN 0.750 nan 8.230 nan 0.000 0.424 404 A N 3.326 125.880 122.820 -0.442 0.000 2.318 404 A HA 0.829 5.122 4.320 -0.045 0.000 0.324 404 A C -1.154 176.147 177.584 -0.472 0.000 1.170 404 A CA -0.294 51.577 52.037 -0.276 0.000 0.810 404 A CB 0.484 19.427 19.000 -0.094 0.000 1.198 404 A HN 0.501 nan 8.150 nan 0.000 0.484 405 F N 0.972 120.961 119.950 0.065 0.000 2.522 405 F HA 0.617 5.116 4.527 -0.046 0.000 0.324 405 F C 0.396 176.262 175.800 0.111 0.000 1.077 405 F CA -0.553 57.481 58.000 0.057 0.000 0.944 405 F CB 2.340 41.364 39.000 0.041 0.000 1.175 405 F HN 0.538 nan 8.300 nan 0.000 0.468 406 K N 2.217 122.746 120.400 0.214 0.000 2.345 406 K HA 0.445 4.738 4.320 -0.045 0.000 0.255 406 K C -0.504 176.097 176.600 0.002 0.000 0.934 406 K CA -0.890 55.347 56.287 -0.084 0.000 0.801 406 K CB 1.598 34.018 32.500 -0.132 0.000 1.137 406 K HN 0.729 nan 8.250 nan 0.000 0.424 407 R N 3.506 123.942 120.500 -0.106 0.000 2.623 407 R HA -0.025 4.289 4.340 -0.045 0.000 0.271 407 R C -0.590 175.746 176.300 0.060 0.000 1.043 407 R CA -0.087 56.008 56.100 -0.008 0.000 1.083 407 R CB 0.503 30.762 30.300 -0.069 0.000 0.974 407 R HN 0.621 nan 8.270 nan 0.000 0.436 408 W N 4.334 125.594 121.300 -0.067 0.000 2.359 408 W HA 0.143 4.776 4.660 -0.045 0.000 0.344 408 W C -0.347 176.138 176.519 -0.056 0.000 1.170 408 W CA -0.541 56.771 57.345 -0.054 0.000 1.296 408 W CB 0.999 30.437 29.460 -0.036 0.000 1.197 408 W HN 0.751 nan 8.180 nan 0.000 0.618 409 E N 0.000 119.450 120.200 -1.250 0.000 2.725 409 E HA 0.000 4.323 4.350 -0.045 0.000 0.291 409 E CA 0.000 55.898 56.400 -0.836 0.000 0.976 409 E CB 0.000 29.178 29.700 -0.870 0.000 0.812 409 E HN 0.000 nan 8.360 nan 0.000 0.440