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 1rth_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.379 177.300 0.132 0.000 1.155 1 P CA 0.000 63.162 63.100 0.103 0.000 0.800 1 P CB 0.000 31.752 31.700 0.087 0.000 0.726 2 I N 0.614 121.257 120.570 0.123 0.000 3.004 2 I HA 0.489 4.678 4.170 0.032 0.000 0.287 2 I C 0.819 177.016 176.117 0.134 0.000 1.144 2 I CA -0.201 61.180 61.300 0.134 0.000 1.353 2 I CB 0.835 38.902 38.000 0.112 0.000 1.417 2 I HN 0.502 nan 8.210 nan 0.000 0.602 3 S N 2.981 118.771 115.700 0.151 0.000 2.599 3 S HA 0.560 5.049 4.470 0.032 0.000 0.294 3 S C -2.406 172.299 174.600 0.175 0.000 1.094 3 S CA -1.195 57.115 58.200 0.183 0.000 0.931 3 S CB 1.999 65.349 63.200 0.251 0.000 1.093 3 S HN 0.557 nan 8.310 nan 0.000 0.488 4 P HA 0.373 nan 4.420 nan 0.000 0.214 4 P C -0.849 176.614 177.300 0.272 0.000 1.807 4 P CA -0.071 63.133 63.100 0.175 0.000 0.921 4 P CB -0.532 31.220 31.700 0.086 0.000 1.835 5 I N -0.387 120.317 120.570 0.223 0.000 2.412 5 I HA 0.248 4.437 4.170 0.032 0.000 0.296 5 I C 0.384 176.555 176.117 0.090 0.000 0.987 5 I CA -1.016 60.380 61.300 0.160 0.000 1.180 5 I CB 1.326 39.365 38.000 0.065 0.000 1.340 5 I HN -0.143 nan 8.210 nan 0.000 0.455 6 E N 4.786 125.027 120.200 0.069 0.000 2.558 6 E HA -0.006 4.363 4.350 0.032 0.000 0.255 6 E C -0.187 176.432 176.600 0.033 0.000 0.968 6 E CA 0.255 56.684 56.400 0.048 0.000 0.939 6 E CB 0.317 30.038 29.700 0.036 0.000 0.921 6 E HN 0.694 nan 8.360 nan 0.000 0.477 7 T N -0.782 113.794 114.554 0.038 0.000 2.913 7 T HA 0.239 4.608 4.350 0.032 0.000 0.297 7 T C 0.314 175.035 174.700 0.035 0.000 1.029 7 T CA -0.871 61.248 62.100 0.032 0.000 1.104 7 T CB 1.026 69.914 68.868 0.034 0.000 0.964 7 T HN 0.085 nan 8.240 nan 0.000 0.532 8 V N 5.868 125.805 119.914 0.039 0.000 2.432 8 V HA 0.357 4.496 4.120 0.032 0.000 0.275 8 V C -1.703 174.441 176.094 0.083 0.000 1.043 8 V CA -1.938 60.397 62.300 0.059 0.000 0.925 8 V CB 1.066 32.929 31.823 0.067 0.000 0.985 8 V HN 0.887 nan 8.190 nan 0.000 0.466 9 P HA 0.113 nan 4.420 nan 0.000 0.266 9 P C -0.891 176.485 177.300 0.125 0.000 1.215 9 P CA 0.251 63.407 63.100 0.093 0.000 0.763 9 P CB 1.001 32.744 31.700 0.071 0.000 0.806 10 V N 5.141 125.149 119.914 0.156 0.000 2.531 10 V HA 0.406 4.545 4.120 0.032 0.000 0.301 10 V C 0.343 176.648 176.094 0.351 0.000 1.034 10 V CA -0.543 61.873 62.300 0.194 0.000 0.865 10 V CB 1.948 33.817 31.823 0.077 0.000 0.995 10 V HN 0.598 nan 8.190 nan 0.000 0.424 11 K N 4.655 125.219 120.400 0.274 0.000 2.385 11 K HA 0.789 5.128 4.320 0.032 0.000 0.248 11 K C -1.150 175.591 176.600 0.236 0.000 0.955 11 K CA -0.932 55.527 56.287 0.287 0.000 0.816 11 K CB 2.419 35.005 32.500 0.144 0.000 1.250 11 K HN 0.410 nan 8.250 nan 0.000 0.434 12 L N 2.018 123.332 121.223 0.152 0.000 2.452 12 L HA 0.200 4.559 4.340 0.032 0.000 0.267 12 L C 0.589 177.461 176.870 0.003 0.000 1.188 12 L CA -0.494 54.363 54.840 0.028 0.000 0.821 12 L CB 0.363 42.296 42.059 -0.209 0.000 1.102 12 L HN 0.630 nan 8.230 nan 0.000 0.470 13 K N 2.613 123.008 120.400 -0.008 0.000 2.542 13 K HA -0.006 4.333 4.320 0.032 0.000 0.276 13 K C -2.072 174.515 176.600 -0.020 0.000 0.963 13 K CA -0.989 55.287 56.287 -0.018 0.000 0.975 13 K CB 0.017 32.508 32.500 -0.015 0.000 0.901 13 K HN 0.358 nan 8.250 nan 0.000 0.506 14 P HA -0.148 nan 4.420 nan 0.000 0.252 14 P C 0.229 177.523 177.300 -0.010 0.000 1.147 14 P CA 0.965 64.058 63.100 -0.011 0.000 0.779 14 P CB -0.116 31.578 31.700 -0.010 0.000 0.733 15 G N 2.736 111.531 108.800 -0.008 0.000 2.249 15 G HA2 -0.273 3.706 3.960 0.032 0.000 0.273 15 G HA3 -0.273 3.706 3.960 0.032 0.000 0.273 15 G C 0.021 174.914 174.900 -0.012 0.000 1.036 15 G CA 0.101 45.199 45.100 -0.005 0.000 0.824 15 G HN 0.489 nan 8.290 nan 0.000 0.504 16 M N -0.788 118.793 119.600 -0.033 0.000 2.705 16 M HA 0.580 5.079 4.480 0.032 0.000 0.311 16 M C -0.431 175.814 176.300 -0.091 0.000 1.214 16 M CA -0.849 54.421 55.300 -0.050 0.000 0.920 16 M CB 1.771 34.337 32.600 -0.056 0.000 1.687 16 M HN 0.128 nan 8.290 nan 0.000 0.481 17 D N -0.082 120.268 120.400 -0.083 0.000 2.433 17 D HA 0.538 5.197 4.640 0.032 0.000 0.236 17 D C -0.051 176.124 176.300 -0.208 0.000 1.026 17 D CA -0.019 53.926 54.000 -0.092 0.000 0.884 17 D CB 1.680 42.529 40.800 0.081 0.000 1.384 17 D HN 0.680 nan 8.370 nan 0.000 0.477 18 G N 1.579 110.094 108.800 -0.476 0.000 2.902 18 G HA2 0.164 4.143 3.960 0.032 0.000 0.240 18 G HA3 0.164 4.143 3.960 0.032 0.000 0.240 18 G C -2.238 172.596 174.900 -0.109 0.000 1.244 18 G CA -0.712 43.977 45.100 -0.686 0.000 0.862 18 G HN 0.418 nan 8.290 nan 0.000 0.603 19 P HA 0.281 nan 4.420 nan 0.000 0.271 19 P C -0.461 177.006 177.300 0.278 0.000 1.218 19 P CA -0.010 63.176 63.100 0.142 0.000 0.780 19 P CB 0.677 32.470 31.700 0.155 0.000 0.901 20 K N 1.011 121.530 120.400 0.198 0.000 3.262 20 K HA 0.310 4.649 4.320 0.032 0.000 0.166 20 K C -1.007 175.661 176.600 0.114 0.000 1.091 20 K CA -0.368 56.021 56.287 0.170 0.000 0.798 20 K CB 0.969 33.551 32.500 0.136 0.000 0.953 20 K HN 0.261 nan 8.250 nan 0.000 0.588 21 V N -0.875 119.111 119.914 0.120 0.000 2.630 21 V HA 0.477 4.616 4.120 0.032 0.000 0.305 21 V C -0.169 175.974 176.094 0.083 0.000 1.046 21 V CA -0.716 61.639 62.300 0.091 0.000 0.934 21 V CB 1.632 33.517 31.823 0.104 0.000 1.003 21 V HN 0.374 nan 8.190 nan 0.000 0.451 22 K N 2.889 123.314 120.400 0.042 0.000 2.180 22 K HA 0.256 4.595 4.320 0.032 0.000 0.251 22 K C -0.369 176.274 176.600 0.072 0.000 1.014 22 K CA -0.385 55.922 56.287 0.034 0.000 0.913 22 K CB 0.852 33.340 32.500 -0.020 0.000 1.008 22 K HN 0.889 nan 8.250 nan 0.000 0.490 23 Q N 2.472 122.337 119.800 0.110 0.000 2.290 23 Q HA 0.183 4.542 4.340 0.032 0.000 0.259 23 Q C -1.504 174.654 176.000 0.263 0.000 0.941 23 Q CA -0.400 55.536 55.803 0.221 0.000 0.912 23 Q CB 0.510 29.358 28.738 0.184 0.000 1.244 23 Q HN 0.354 nan 8.270 nan 0.000 0.441 24 W N 5.068 126.452 121.300 0.141 0.000 2.123 24 W HA 0.252 4.931 4.660 0.032 0.000 0.351 24 W C -1.691 174.890 176.519 0.104 0.000 1.292 24 W CA -1.044 56.385 57.345 0.140 0.000 1.263 24 W CB -0.422 29.161 29.460 0.204 0.000 1.165 24 W HN 0.536 nan 8.180 nan 0.000 0.590 25 P HA 0.425 nan 4.420 nan 0.000 0.281 25 P C -1.064 176.354 177.300 0.195 0.000 1.249 25 P CA -0.193 63.029 63.100 0.204 0.000 0.810 25 P CB 1.448 33.235 31.700 0.145 0.000 1.008 26 L N 0.656 121.954 121.223 0.124 0.000 2.371 26 L HA 0.407 4.766 4.340 0.032 0.000 0.262 26 L C 0.787 177.677 176.870 0.033 0.000 1.006 26 L CA -0.817 54.071 54.840 0.079 0.000 0.818 26 L CB 2.182 44.276 42.059 0.058 0.000 1.354 26 L HN 0.297 nan 8.230 nan 0.000 0.415 27 T N -0.247 114.312 114.554 0.008 0.000 2.795 27 T HA -0.062 4.307 4.350 0.032 0.000 0.314 27 T C 1.145 175.809 174.700 -0.060 0.000 1.069 27 T CA -0.025 62.066 62.100 -0.015 0.000 1.071 27 T CB 0.893 69.755 68.868 -0.011 0.000 0.988 27 T HN 0.745 nan 8.240 nan 0.000 0.543 28 E N 0.500 120.667 120.200 -0.055 0.000 2.118 28 E HA -0.206 4.163 4.350 0.032 0.000 0.195 28 E C 1.818 178.329 176.600 -0.149 0.000 0.992 28 E CA 1.151 57.507 56.400 -0.072 0.000 0.804 28 E CB 0.112 29.785 29.700 -0.046 0.000 0.741 28 E HN 0.512 nan 8.360 nan 0.000 0.458 29 E N 0.675 120.753 120.200 -0.205 0.000 2.047 29 E HA -0.156 4.213 4.350 0.032 0.000 0.191 29 E C 1.950 178.086 176.600 -0.774 0.000 0.987 29 E CA 1.152 57.298 56.400 -0.423 0.000 0.799 29 E CB -0.017 29.490 29.700 -0.321 0.000 0.752 29 E HN 0.367 nan 8.360 nan 0.000 0.449 30 K N 0.055 120.071 120.400 -0.640 0.000 2.439 30 K HA 0.016 4.355 4.320 0.032 0.000 0.197 30 K C 2.126 178.548 176.600 -0.297 0.000 1.041 30 K CA 0.605 56.538 56.287 -0.590 0.000 0.970 30 K CB 0.254 32.616 32.500 -0.231 0.000 0.773 30 K HN 0.160 nan 8.250 nan 0.000 0.479 31 I N 1.054 121.494 120.570 -0.217 0.000 2.512 31 I HA -0.130 4.059 4.170 0.032 0.000 0.247 31 I C 2.286 178.331 176.117 -0.120 0.000 1.094 31 I CA 0.499 61.736 61.300 -0.105 0.000 1.427 31 I CB -0.034 37.935 38.000 -0.051 0.000 1.149 31 I HN 0.046 nan 8.210 nan 0.000 0.438 32 K N 1.191 121.493 120.400 -0.163 0.000 2.034 32 K HA -0.269 4.070 4.320 0.032 0.000 0.214 32 K C 2.169 178.678 176.600 -0.152 0.000 1.051 32 K CA 2.031 58.233 56.287 -0.142 0.000 0.931 32 K CB -0.279 32.117 32.500 -0.174 0.000 0.715 32 K HN 0.327 nan 8.250 nan 0.000 0.446 33 A N 1.284 123.940 122.820 -0.274 0.000 1.841 33 A HA -0.200 4.139 4.320 0.032 0.000 0.216 33 A C 2.156 179.688 177.584 -0.087 0.000 1.199 33 A CA 1.575 53.480 52.037 -0.219 0.000 0.621 33 A CB -0.922 17.832 19.000 -0.411 0.000 0.835 33 A HN 0.260 nan 8.150 nan 0.000 0.445 34 L N -0.349 120.825 121.223 -0.081 0.000 2.129 34 L HA -0.204 4.155 4.340 0.032 0.000 0.212 34 L C 2.512 179.387 176.870 0.010 0.000 1.087 34 L CA 1.100 55.928 54.840 -0.021 0.000 0.757 34 L CB -0.403 41.653 42.059 -0.006 0.000 0.896 34 L HN 0.292 nan 8.230 nan 0.000 0.434 35 V N -0.513 119.409 119.914 0.013 0.000 2.358 35 V HA -0.264 3.875 4.120 0.032 0.000 0.246 35 V C 2.304 178.419 176.094 0.034 0.000 1.047 35 V CA 1.773 64.105 62.300 0.053 0.000 1.035 35 V CB -0.425 31.421 31.823 0.039 0.000 0.658 35 V HN 0.472 nan 8.190 nan 0.000 0.452 36 E N -0.076 120.126 120.200 0.003 0.000 2.031 36 E HA -0.216 4.153 4.350 0.032 0.000 0.193 36 E C 2.152 178.751 176.600 -0.002 0.000 0.994 36 E CA 1.501 57.903 56.400 0.003 0.000 0.800 36 E CB -0.238 29.460 29.700 -0.003 0.000 0.752 36 E HN 0.449 nan 8.360 nan 0.000 0.447 37 I N 0.919 121.483 120.570 -0.010 0.000 2.208 37 I HA -0.303 3.886 4.170 0.032 0.000 0.245 37 I C 2.347 178.423 176.117 -0.067 0.000 1.097 37 I CA 1.126 62.408 61.300 -0.029 0.000 1.363 37 I CB -0.527 37.461 38.000 -0.020 0.000 1.051 37 I HN 0.231 nan 8.210 nan 0.000 0.413 38 C N -0.499 118.749 119.300 -0.086 0.000 2.450 38 C HA -0.101 4.378 4.460 0.032 0.000 0.279 38 C C 2.825 177.717 174.990 -0.164 0.000 1.335 38 C CA 1.200 60.088 59.018 -0.216 0.000 1.749 38 C CB -1.358 26.174 27.740 -0.347 0.000 1.963 38 C HN 0.501 nan 8.230 nan 0.000 0.501 39 T N 0.758 115.301 114.554 -0.018 0.000 2.881 39 T HA -0.167 4.202 4.350 0.032 0.000 0.270 39 T C 1.594 176.300 174.700 0.009 0.000 1.068 39 T CA 1.792 63.920 62.100 0.046 0.000 1.131 39 T CB -0.191 68.713 68.868 0.060 0.000 0.871 39 T HN 0.635 nan 8.240 nan 0.000 0.479 40 E N 2.391 122.579 120.200 -0.020 0.000 1.998 40 E HA -0.110 4.259 4.350 0.032 0.000 0.195 40 E C 2.188 178.767 176.600 -0.034 0.000 0.994 40 E CA 1.396 57.782 56.400 -0.024 0.000 0.835 40 E CB -0.499 29.180 29.700 -0.035 0.000 0.786 40 E HN 0.570 nan 8.360 nan 0.000 0.467 41 M N 0.123 119.683 119.600 -0.067 0.000 2.337 41 M HA -0.133 4.366 4.480 0.032 0.000 0.261 41 M C 2.068 178.346 176.300 -0.037 0.000 1.067 41 M CA 2.221 57.485 55.300 -0.059 0.000 1.074 41 M CB -0.696 31.851 32.600 -0.089 0.000 1.395 41 M HN 0.146 nan 8.290 nan 0.000 0.431 42 E N 2.713 122.884 120.200 -0.049 0.000 2.051 42 E HA -0.238 4.131 4.350 0.032 0.000 0.192 42 E C 1.973 178.599 176.600 0.043 0.000 0.991 42 E CA 2.337 58.749 56.400 0.020 0.000 0.799 42 E CB -0.299 29.461 29.700 0.099 0.000 0.748 42 E HN 0.761 nan 8.360 nan 0.000 0.449 43 K N 0.297 120.715 120.400 0.031 0.000 2.148 43 K HA -0.133 4.206 4.320 0.032 0.000 0.204 43 K C 1.673 178.290 176.600 0.029 0.000 1.050 43 K CA 1.562 57.868 56.287 0.031 0.000 0.942 43 K CB -0.182 32.333 32.500 0.024 0.000 0.724 43 K HN 0.185 nan 8.250 nan 0.000 0.446 44 E N 0.343 120.557 120.200 0.024 0.000 2.478 44 E HA -0.024 4.345 4.350 0.032 0.000 0.198 44 E C 0.834 177.464 176.600 0.050 0.000 1.046 44 E CA 0.434 56.855 56.400 0.034 0.000 0.870 44 E CB -0.039 29.679 29.700 0.029 0.000 0.818 44 E HN 0.697 nan 8.360 nan 0.000 0.527 45 G N 1.775 110.603 108.800 0.048 0.000 2.184 45 G HA2 -0.380 3.599 3.960 0.032 0.000 0.264 45 G HA3 -0.380 3.599 3.960 0.032 0.000 0.264 45 G C 0.939 175.880 174.900 0.069 0.000 0.975 45 G CA 0.842 45.975 45.100 0.055 0.000 0.642 45 G HN 0.266 nan 8.290 nan 0.000 0.536 46 K N -0.225 120.222 120.400 0.078 0.000 2.057 46 K HA 0.181 4.520 4.320 0.032 0.000 0.206 46 K C 1.505 178.138 176.600 0.054 0.000 1.050 46 K CA 1.532 57.893 56.287 0.123 0.000 0.935 46 K CB -0.034 32.576 32.500 0.183 0.000 0.715 46 K HN 0.829 nan 8.250 nan 0.000 0.439 47 I N -3.105 117.454 120.570 -0.018 0.000 2.689 47 I HA 0.407 4.596 4.170 0.032 0.000 0.299 47 I C -0.952 175.191 176.117 0.043 0.000 1.059 47 I CA -0.797 60.460 61.300 -0.072 0.000 1.055 47 I CB 2.554 40.410 38.000 -0.239 0.000 1.243 47 I HN -0.288 nan 8.210 nan 0.000 0.425 48 S N 3.245 118.995 115.700 0.083 0.000 2.536 48 S HA 0.485 4.974 4.470 0.032 0.000 0.298 48 S C -0.649 174.022 174.600 0.119 0.000 1.083 48 S CA -0.928 57.338 58.200 0.110 0.000 0.995 48 S CB 1.850 65.077 63.200 0.045 0.000 1.058 48 S HN 0.537 nan 8.310 nan 0.000 0.488 49 K N 2.115 122.531 120.400 0.026 0.000 2.326 49 K HA 0.436 4.775 4.320 0.032 0.000 0.275 49 K C -0.175 176.332 176.600 -0.154 0.000 1.018 49 K CA -0.058 56.096 56.287 -0.221 0.000 0.962 49 K CB 0.327 32.643 32.500 -0.306 0.000 0.953 49 K HN 0.593 nan 8.250 nan 0.000 0.475 50 I N -1.952 118.502 120.570 -0.193 0.000 2.785 50 I HA 0.553 4.742 4.170 0.032 0.000 0.302 50 I C 0.245 176.284 176.117 -0.130 0.000 1.069 50 I CA -1.021 60.203 61.300 -0.127 0.000 1.045 50 I CB 2.052 39.992 38.000 -0.101 0.000 1.236 50 I HN 0.574 nan 8.210 nan 0.000 0.429 51 G N 2.375 111.118 108.800 -0.095 0.000 2.630 51 G HA2 0.483 4.462 3.960 0.032 0.000 0.223 51 G HA3 0.483 4.462 3.960 0.032 0.000 0.223 51 G C -1.740 173.115 174.900 -0.075 0.000 1.434 51 G CA -0.705 44.344 45.100 -0.085 0.000 1.057 51 G HN 0.624 nan 8.290 nan 0.000 0.570 52 P HA 0.055 nan 4.420 nan 0.000 0.245 52 P C 0.950 178.207 177.300 -0.072 0.000 1.206 52 P CA 0.551 63.613 63.100 -0.064 0.000 0.781 52 P CB 0.292 31.960 31.700 -0.053 0.000 0.994 53 E N -0.291 119.868 120.200 -0.069 0.000 2.526 53 E HA -0.046 4.322 4.350 0.032 0.000 0.198 53 E C 0.019 176.562 176.600 -0.096 0.000 1.091 53 E CA 0.106 56.462 56.400 -0.073 0.000 0.880 53 E CB -0.510 29.156 29.700 -0.057 0.000 0.873 53 E HN 0.093 nan 8.360 nan 0.000 0.527 54 N N 1.705 120.342 118.700 -0.105 0.000 2.483 54 N HA 0.143 4.902 4.740 0.032 0.000 0.267 54 N C -1.955 173.436 175.510 -0.198 0.000 0.998 54 N CA -1.862 51.108 53.050 -0.133 0.000 0.918 54 N CB 1.990 40.454 38.487 -0.038 0.000 1.215 54 N HN -0.118 nan 8.380 nan 0.000 0.500 55 P HA 0.077 nan 4.420 nan 0.000 0.251 55 P C -0.279 176.808 177.300 -0.354 0.000 1.223 55 P CA 0.305 63.167 63.100 -0.397 0.000 0.796 55 P CB 0.288 31.700 31.700 -0.480 0.000 1.068 56 Y N 1.115 121.443 120.300 0.046 0.000 2.289 56 Y HA 0.493 5.062 4.550 0.032 0.000 0.332 56 Y C 0.958 176.911 175.900 0.088 0.000 1.324 56 Y CA -0.501 57.646 58.100 0.079 0.000 1.478 56 Y CB 0.142 38.669 38.460 0.112 0.000 1.378 56 Y HN -0.101 nan 8.280 nan 0.000 0.558 57 N N -1.598 117.293 118.700 0.320 0.000 3.134 57 N HA 0.315 5.074 4.740 0.032 0.000 0.235 57 N C -2.000 173.646 175.510 0.228 0.000 1.092 57 N CA -0.361 52.836 53.050 0.244 0.000 1.038 57 N CB 1.236 39.828 38.487 0.175 0.000 1.684 57 N HN 0.572 nan 8.380 nan 0.000 0.551 58 T N 2.824 117.518 114.554 0.233 0.000 2.861 58 T HA 0.549 4.918 4.350 0.032 0.000 0.287 58 T C -2.831 171.883 174.700 0.023 0.000 1.003 58 T CA -1.045 61.135 62.100 0.134 0.000 0.977 58 T CB 2.067 71.019 68.868 0.140 0.000 0.996 58 T HN 0.303 nan 8.240 nan 0.000 0.448 59 P HA 0.205 nan 4.420 nan 0.000 0.270 59 P C -0.586 176.286 177.300 -0.713 0.000 1.242 59 P CA -0.242 62.702 63.100 -0.261 0.000 0.768 59 P CB 0.299 31.922 31.700 -0.127 0.000 0.820 60 V N 5.112 124.733 119.914 -0.488 0.000 2.509 60 V HA 0.402 4.541 4.120 0.032 0.000 0.284 60 V C 0.363 176.175 176.094 -0.470 0.000 1.047 60 V CA -0.113 61.877 62.300 -0.517 0.000 0.952 60 V CB -0.013 31.626 31.823 -0.307 0.000 0.988 60 V HN 0.323 nan 8.190 nan 0.000 0.469 61 F N 1.054 120.918 119.950 -0.142 0.000 2.654 61 F HA 0.895 5.441 4.527 0.031 0.000 0.334 61 F C 0.260 176.023 175.800 -0.062 0.000 1.078 61 F CA -1.446 56.469 58.000 -0.142 0.000 0.986 61 F CB 1.887 40.766 39.000 -0.200 0.000 1.362 61 F HN 0.610 nan 8.300 nan 0.000 0.498 62 A N 1.639 124.592 122.820 0.221 0.000 2.402 62 A HA 0.743 5.082 4.320 0.032 0.000 0.291 62 A C -1.890 175.883 177.584 0.314 0.000 1.051 62 A CA -0.437 51.757 52.037 0.262 0.000 0.716 62 A CB 1.114 20.268 19.000 0.257 0.000 1.223 62 A HN 0.706 nan 8.150 nan 0.000 0.425 63 I N 2.103 122.787 120.570 0.189 0.000 2.478 63 I HA 0.438 4.627 4.170 0.032 0.000 0.287 63 I C -0.142 175.884 176.117 -0.152 0.000 1.042 63 I CA -0.653 60.643 61.300 -0.007 0.000 1.067 63 I CB 1.738 39.717 38.000 -0.034 0.000 1.233 63 I HN 0.588 nan 8.210 nan 0.000 0.431 64 K N 6.655 126.759 120.400 -0.494 0.000 2.351 64 K HA 0.221 4.560 4.320 0.032 0.000 0.287 64 K C -0.471 175.954 176.600 -0.292 0.000 1.068 64 K CA -0.448 55.504 56.287 -0.557 0.000 0.998 64 K CB -0.152 31.765 32.500 -0.972 0.000 0.968 64 K HN 0.650 nan 8.250 nan 0.000 0.464 65 K N 2.352 122.647 120.400 -0.175 0.000 2.489 65 K HA 0.051 4.390 4.320 0.032 0.000 0.278 65 K C -0.240 176.293 176.600 -0.112 0.000 1.000 65 K CA -0.523 55.697 56.287 -0.111 0.000 1.012 65 K CB 0.389 32.849 32.500 -0.066 0.000 0.903 65 K HN 0.203 nan 8.250 nan 0.000 0.485 66 K N 2.772 123.119 120.400 -0.088 0.000 2.448 66 K HA -0.057 4.282 4.320 0.032 0.000 0.278 66 K C -0.360 176.206 176.600 -0.057 0.000 1.009 66 K CA 0.637 56.879 56.287 -0.076 0.000 0.995 66 K CB -0.062 32.401 32.500 -0.061 0.000 0.917 66 K HN 0.881 nan 8.250 nan 0.000 0.481 67 D N 0.389 120.754 120.400 -0.058 0.000 2.914 67 D HA -0.150 4.509 4.640 0.032 0.000 0.226 67 D C -0.951 175.323 176.300 -0.043 0.000 1.112 67 D CA 1.030 55.004 54.000 -0.042 0.000 0.778 67 D CB -1.189 39.596 40.800 -0.025 0.000 1.095 67 D HN 0.532 nan 8.370 nan 0.000 0.436 68 S N -1.294 114.369 115.700 -0.063 0.000 2.481 68 S HA 0.290 4.779 4.470 0.032 0.000 0.262 68 S C 0.052 174.592 174.600 -0.101 0.000 1.061 68 S CA -0.532 57.631 58.200 -0.063 0.000 1.039 68 S CB 1.493 64.661 63.200 -0.054 0.000 1.170 68 S HN -0.067 nan 8.310 nan 0.000 0.437 69 T N 3.525 118.028 114.554 -0.086 0.000 3.406 69 T HA 0.219 4.588 4.350 0.032 0.000 0.244 69 T C 0.193 174.829 174.700 -0.106 0.000 0.949 69 T CA 0.087 62.118 62.100 -0.115 0.000 0.926 69 T CB -0.533 68.294 68.868 -0.068 0.000 1.089 69 T HN 0.634 nan 8.240 nan 0.000 0.604 70 K N 0.323 120.660 120.400 -0.105 0.000 2.281 70 K HA 0.438 4.777 4.320 0.032 0.000 0.242 70 K C -1.386 175.171 176.600 -0.072 0.000 0.971 70 K CA -0.963 55.317 56.287 -0.013 0.000 0.834 70 K CB 1.338 33.851 32.500 0.021 0.000 1.181 70 K HN 0.127 nan 8.250 nan 0.000 0.435 71 W N 3.622 124.912 121.300 -0.016 0.000 2.351 71 W HA 0.364 5.043 4.660 0.032 0.000 0.311 71 W C 0.574 177.078 176.519 -0.025 0.000 1.168 71 W CA -0.304 57.030 57.345 -0.018 0.000 1.200 71 W CB 0.982 30.434 29.460 -0.014 0.000 1.221 71 W HN 0.474 nan 8.180 nan 0.000 0.519 72 R N 2.981 123.592 120.500 0.186 0.000 2.939 72 R HA 0.700 5.059 4.340 0.032 0.000 0.254 72 R C -0.852 175.516 176.300 0.112 0.000 1.123 72 R CA -0.822 55.335 56.100 0.095 0.000 1.020 72 R CB 1.635 31.949 30.300 0.024 0.000 1.206 72 R HN 0.607 nan 8.270 nan 0.000 0.491 73 K N 0.623 121.054 120.400 0.052 0.000 2.395 73 K HA 0.632 4.971 4.320 0.032 0.000 0.245 73 K C -1.615 175.000 176.600 0.025 0.000 1.017 73 K CA -0.971 55.339 56.287 0.038 0.000 0.852 73 K CB 1.691 34.180 32.500 -0.019 0.000 1.311 73 K HN 0.291 nan 8.250 nan 0.000 0.452 74 L N 1.271 122.494 121.223 0.000 0.000 2.562 74 L HA 0.347 4.706 4.340 0.032 0.000 0.266 74 L C -1.700 175.060 176.870 -0.184 0.000 0.949 74 L CA -0.445 54.388 54.840 -0.012 0.000 0.879 74 L CB 2.379 44.489 42.059 0.084 0.000 1.278 74 L HN 0.628 nan 8.230 nan 0.000 0.404 75 V N 2.366 122.104 119.914 -0.294 0.000 2.472 75 V HA 0.388 4.527 4.120 0.032 0.000 0.290 75 V C -0.389 175.313 176.094 -0.653 0.000 1.037 75 V CA -0.669 61.256 62.300 -0.625 0.000 0.908 75 V CB 1.750 33.052 31.823 -0.869 0.000 0.985 75 V HN 0.673 nan 8.190 nan 0.000 0.454 76 D N 3.220 123.243 120.400 -0.629 0.000 2.494 76 D HA 0.266 4.925 4.640 0.032 0.000 0.217 76 D C 0.283 176.457 176.300 -0.210 0.000 1.153 76 D CA -0.327 53.491 54.000 -0.304 0.000 0.954 76 D CB 0.159 40.862 40.800 -0.162 0.000 1.034 76 D HN 0.358 nan 8.370 nan 0.000 0.518 77 F N 1.842 121.829 119.950 0.060 0.000 2.769 77 F HA 0.195 4.741 4.527 0.031 0.000 0.304 77 F C 2.115 177.986 175.800 0.118 0.000 1.158 77 F CA -0.111 57.951 58.000 0.103 0.000 1.398 77 F CB -0.178 38.903 39.000 0.135 0.000 1.094 77 F HN 0.247 nan 8.300 nan 0.000 0.553 78 R N 0.259 120.898 120.500 0.233 0.000 2.115 78 R HA -0.249 4.110 4.340 0.032 0.000 0.239 78 R C 2.043 178.448 176.300 0.174 0.000 1.133 78 R CA 2.059 58.268 56.100 0.182 0.000 0.935 78 R CB -0.420 29.972 30.300 0.152 0.000 0.853 78 R HN 0.170 nan 8.270 nan 0.000 0.433 79 E N 0.692 120.995 120.200 0.172 0.000 2.051 79 E HA -0.168 4.201 4.350 0.032 0.000 0.192 79 E C 1.812 178.505 176.600 0.155 0.000 0.991 79 E CA 0.847 57.333 56.400 0.145 0.000 0.799 79 E CB -0.273 29.507 29.700 0.133 0.000 0.748 79 E HN 0.120 nan 8.360 nan 0.000 0.449 80 L N 1.074 122.430 121.223 0.223 0.000 2.042 80 L HA -0.176 4.183 4.340 0.032 0.000 0.210 80 L C 1.448 178.466 176.870 0.247 0.000 1.076 80 L CA 1.884 56.861 54.840 0.229 0.000 0.749 80 L CB -0.923 41.341 42.059 0.342 0.000 0.893 80 L HN 0.096 nan 8.230 nan 0.000 0.432 81 N N 0.145 118.999 118.700 0.257 0.000 2.205 81 N HA -0.184 4.575 4.740 0.032 0.000 0.186 81 N C 1.710 177.285 175.510 0.109 0.000 1.015 81 N CA 1.377 54.531 53.050 0.173 0.000 0.862 81 N CB -0.195 38.370 38.487 0.130 0.000 0.986 81 N HN 0.521 nan 8.380 nan 0.000 0.429 82 K N 0.526 120.988 120.400 0.102 0.000 2.025 82 K HA 0.032 4.371 4.320 0.032 0.000 0.207 82 K C 1.697 178.328 176.600 0.052 0.000 1.049 82 K CA 0.873 57.200 56.287 0.066 0.000 0.933 82 K CB -0.057 32.481 32.500 0.063 0.000 0.714 82 K HN 0.160 nan 8.250 nan 0.000 0.438 83 R N 0.714 121.246 120.500 0.052 0.000 2.323 83 R HA 0.039 4.397 4.340 0.032 0.000 0.198 83 R C 0.266 176.589 176.300 0.039 0.000 0.988 83 R CA 0.386 56.493 56.100 0.011 0.000 1.041 83 R CB 0.036 30.304 30.300 -0.053 0.000 0.926 83 R HN 0.051 nan 8.270 nan 0.000 0.476 84 T N 1.757 116.384 114.554 0.121 0.000 2.909 84 T HA 0.098 4.467 4.350 0.032 0.000 0.286 84 T C 0.113 174.853 174.700 0.067 0.000 1.002 84 T CA -0.695 61.526 62.100 0.202 0.000 1.074 84 T CB 1.519 70.602 68.868 0.358 0.000 0.984 84 T HN 0.227 nan 8.240 nan 0.000 0.495 85 Q N 2.074 121.881 119.800 0.011 0.000 2.614 85 Q HA 0.136 4.495 4.340 0.032 0.000 0.244 85 Q C -0.710 175.119 176.000 -0.284 0.000 1.097 85 Q CA -0.153 55.560 55.803 -0.151 0.000 0.986 85 Q CB 0.423 29.017 28.738 -0.240 0.000 1.308 85 Q HN 0.400 nan 8.270 nan 0.000 0.546 86 D N -0.224 120.001 120.400 -0.292 0.000 2.277 86 D HA 0.418 5.077 4.640 0.032 0.000 0.250 86 D C -0.926 175.077 176.300 -0.496 0.000 1.032 86 D CA -0.217 53.645 54.000 -0.230 0.000 0.947 86 D CB 0.738 41.500 40.800 -0.063 0.000 1.159 86 D HN 0.365 nan 8.370 nan 0.000 0.460 87 F N -0.152 119.786 119.950 -0.020 0.000 2.594 87 F HA 0.263 4.809 4.527 0.031 0.000 0.335 87 F C 1.284 177.160 175.800 0.126 0.000 1.058 87 F CA -0.988 57.023 58.000 0.018 0.000 0.981 87 F CB 1.105 40.059 39.000 -0.077 0.000 1.289 87 F HN 0.393 nan 8.300 nan 0.000 0.490 88 W N 0.708 122.073 121.300 0.108 0.000 2.084 88 W HA -0.015 4.664 4.660 0.032 0.000 0.305 88 W C -0.447 176.096 176.519 0.040 0.000 1.071 88 W CA 1.201 58.573 57.345 0.044 0.000 1.106 88 W CB 0.059 29.536 29.460 0.028 0.000 1.179 88 W HN 0.358 nan 8.180 nan 0.000 0.468 89 E N 0.615 120.631 120.200 -0.306 0.000 2.343 89 E HA 0.167 4.536 4.350 0.032 0.000 0.260 89 E C -1.414 175.062 176.600 -0.207 0.000 0.908 89 E CA -0.381 55.750 56.400 -0.449 0.000 0.814 89 E CB 2.302 31.522 29.700 -0.800 0.000 1.302 89 E HN -0.197 nan 8.360 nan 0.000 0.408 90 V N 4.528 124.347 119.914 -0.159 0.000 2.353 90 V HA 0.105 4.244 4.120 0.032 0.000 0.264 90 V C 0.286 176.317 176.094 -0.105 0.000 1.049 90 V CA 0.096 62.322 62.300 -0.122 0.000 0.896 90 V CB 0.326 32.063 31.823 -0.144 0.000 1.025 90 V HN 0.801 nan 8.190 nan 0.000 0.475 91 Q N 3.596 123.357 119.800 -0.065 0.000 2.367 91 Q HA -0.149 4.210 4.340 0.032 0.000 0.292 91 Q C 0.857 176.832 176.000 -0.042 0.000 1.368 91 Q CA -0.134 55.660 55.803 -0.016 0.000 0.683 91 Q CB -0.660 28.085 28.738 0.011 0.000 1.061 91 Q HN 0.640 nan 8.270 nan 0.000 0.362 92 L N -0.911 120.279 121.223 -0.055 0.000 2.077 92 L HA -0.246 4.113 4.340 0.032 0.000 0.231 92 L C 1.112 177.949 176.870 -0.054 0.000 1.100 92 L CA 3.104 57.898 54.840 -0.076 0.000 0.819 92 L CB -0.870 41.173 42.059 -0.025 0.000 0.913 92 L HN 0.743 nan 8.230 nan 0.000 0.446 93 G N -2.607 106.186 108.800 -0.011 0.000 2.387 93 G HA2 0.324 4.303 3.960 0.032 0.000 0.294 93 G HA3 0.324 4.303 3.960 0.032 0.000 0.294 93 G C -1.042 173.869 174.900 0.019 0.000 1.509 93 G CA -0.798 44.295 45.100 -0.012 0.000 0.806 93 G HN -0.076 nan 8.290 nan 0.000 0.546 94 I N 1.398 121.964 120.570 -0.006 0.000 2.496 94 I HA 0.257 4.446 4.170 0.032 0.000 0.285 94 I C -1.666 174.462 176.117 0.018 0.000 1.080 94 I CA -1.639 59.651 61.300 -0.016 0.000 1.404 94 I CB 0.564 38.459 38.000 -0.175 0.000 1.403 94 I HN 0.182 nan 8.210 nan 0.000 0.539 95 P HA 0.156 nan 4.420 nan 0.000 0.271 95 P C -0.388 176.973 177.300 0.102 0.000 1.218 95 P CA 0.003 63.143 63.100 0.066 0.000 0.780 95 P CB 0.417 32.108 31.700 -0.015 0.000 0.901 96 H N 3.564 122.538 119.070 -0.161 0.000 2.488 96 H HA 0.180 4.755 4.556 0.032 0.000 0.322 96 H C -1.739 173.399 175.328 -0.317 0.000 1.078 96 H CA -2.075 53.831 56.048 -0.236 0.000 1.260 96 H CB 1.502 31.082 29.762 -0.302 0.000 1.425 96 H HN 0.210 nan 8.280 nan 0.000 0.471 97 P HA -0.223 nan 4.420 nan 0.000 0.219 97 P C 0.983 178.078 177.300 -0.342 0.000 1.153 97 P CA 2.293 65.023 63.100 -0.617 0.000 0.865 97 P CB 0.086 31.016 31.700 -1.283 0.000 0.788 98 A N -1.089 121.617 122.820 -0.190 0.000 2.216 98 A HA 0.061 4.400 4.320 0.032 0.000 0.214 98 A C 2.129 179.984 177.584 0.452 0.000 1.160 98 A CA 1.558 53.700 52.037 0.174 0.000 0.725 98 A CB -1.283 17.951 19.000 0.390 0.000 0.784 98 A HN 0.329 nan 8.150 nan 0.000 0.472 99 G N -1.027 107.860 108.800 0.145 0.000 3.126 99 G HA2 0.395 4.374 3.960 0.032 0.000 0.224 99 G HA3 0.395 4.374 3.960 0.032 0.000 0.224 99 G C 0.456 175.443 174.900 0.145 0.000 1.142 99 G CA -0.303 44.831 45.100 0.058 0.000 0.759 99 G HN 0.367 nan 8.290 nan 0.000 0.550 100 L N 0.327 121.606 121.223 0.093 0.000 2.439 100 L HA 0.454 4.812 4.340 0.032 0.000 0.261 100 L C 0.060 176.949 176.870 0.032 0.000 1.153 100 L CA -0.514 54.286 54.840 -0.067 0.000 0.808 100 L CB 1.116 42.963 42.059 -0.354 0.000 1.126 100 L HN -0.060 nan 8.230 nan 0.000 0.460 101 K N 0.973 121.324 120.400 -0.081 0.000 2.208 101 K HA 0.355 4.694 4.320 0.032 0.000 0.247 101 K C -0.796 175.695 176.600 -0.182 0.000 0.953 101 K CA -0.995 55.282 56.287 -0.016 0.000 0.837 101 K CB 1.758 34.255 32.500 -0.005 0.000 1.131 101 K HN 0.432 nan 8.250 nan 0.000 0.431 102 K N 1.563 121.940 120.400 -0.038 0.000 2.355 102 K HA 0.173 4.512 4.320 0.032 0.000 0.270 102 K C -0.365 176.210 176.600 -0.042 0.000 1.003 102 K CA -0.252 56.017 56.287 -0.030 0.000 0.957 102 K CB 0.435 33.040 32.500 0.175 0.000 0.939 102 K HN 0.132 nan 8.250 nan 0.000 0.482 103 K N 2.096 122.473 120.400 -0.038 0.000 2.375 103 K HA 0.198 4.537 4.320 0.032 0.000 0.249 103 K C 0.234 176.838 176.600 0.006 0.000 0.942 103 K CA -0.783 55.496 56.287 -0.014 0.000 0.806 103 K CB 1.837 34.320 32.500 -0.027 0.000 1.227 103 K HN 0.553 nan 8.250 nan 0.000 0.430 104 K N 0.376 120.776 120.400 0.000 0.000 2.211 104 K HA -0.013 4.326 4.320 0.032 0.000 0.203 104 K C 0.187 176.747 176.600 -0.066 0.000 1.050 104 K CA 0.917 57.195 56.287 -0.015 0.000 0.945 104 K CB 0.174 32.668 32.500 -0.010 0.000 0.732 104 K HN 0.677 nan 8.250 nan 0.000 0.451 105 S N -0.652 114.967 115.700 -0.134 0.000 2.547 105 S HA 0.510 4.999 4.470 0.032 0.000 0.270 105 S C -0.903 173.591 174.600 -0.176 0.000 1.150 105 S CA -1.143 56.914 58.200 -0.240 0.000 0.850 105 S CB 2.420 65.305 63.200 -0.525 0.000 1.118 105 S HN -0.154 nan 8.310 nan 0.000 0.461 106 V N 1.387 121.292 119.914 -0.015 0.000 2.686 106 V HA 0.739 4.878 4.120 0.032 0.000 0.306 106 V C -0.627 175.624 176.094 0.262 0.000 1.065 106 V CA -0.357 62.038 62.300 0.159 0.000 0.894 106 V CB 2.063 34.030 31.823 0.240 0.000 1.004 106 V HN 1.088 nan 8.190 nan 0.000 0.424 107 T N 3.307 118.018 114.554 0.261 0.000 2.893 107 T HA 0.681 5.050 4.350 0.032 0.000 0.291 107 T C -0.994 173.740 174.700 0.056 0.000 1.028 107 T CA -0.560 61.681 62.100 0.236 0.000 0.995 107 T CB 2.214 71.240 68.868 0.264 0.000 1.051 107 T HN 0.566 nan 8.240 nan 0.000 0.470 108 V N 3.315 123.215 119.914 -0.023 0.000 2.604 108 V HA 0.763 4.902 4.120 0.032 0.000 0.305 108 V C -1.831 174.140 176.094 -0.204 0.000 1.043 108 V CA -0.861 61.237 62.300 -0.337 0.000 0.888 108 V CB 1.350 32.770 31.823 -0.672 0.000 0.995 108 V HN 0.701 nan 8.190 nan 0.000 0.429 109 L N 5.039 126.111 121.223 -0.252 0.000 2.341 109 L HA 0.582 4.941 4.340 0.032 0.000 0.278 109 L C -0.482 176.283 176.870 -0.176 0.000 1.005 109 L CA -0.263 54.482 54.840 -0.157 0.000 0.818 109 L CB 1.697 43.684 42.059 -0.120 0.000 1.259 109 L HN 0.632 nan 8.230 nan 0.000 0.418 110 D N 1.586 121.910 120.400 -0.127 0.000 2.411 110 D HA 0.256 4.915 4.640 0.032 0.000 0.225 110 D C 0.212 176.458 176.300 -0.091 0.000 1.156 110 D CA -0.236 53.688 54.000 -0.126 0.000 0.874 110 D CB 1.094 41.819 40.800 -0.124 0.000 1.034 110 D HN 0.282 nan 8.370 nan 0.000 0.502 111 V N 2.942 122.805 119.914 -0.085 0.000 3.067 111 V HA 0.449 4.588 4.120 0.032 0.000 0.388 111 V C 1.640 177.674 176.094 -0.100 0.000 1.330 111 V CA -0.153 62.134 62.300 -0.022 0.000 1.501 111 V CB -0.176 31.694 31.823 0.079 0.000 1.382 111 V HN 0.444 nan 8.190 nan 0.000 0.532 112 G N 3.249 111.974 108.800 -0.126 0.000 2.992 112 G HA2 -0.327 3.652 3.960 0.032 0.000 0.199 112 G HA3 -0.327 3.652 3.960 0.032 0.000 0.199 112 G C 0.476 175.251 174.900 -0.208 0.000 1.380 112 G CA 1.159 46.154 45.100 -0.174 0.000 0.776 112 G HN 0.909 nan 8.290 nan 0.000 0.757 113 D N 0.736 121.078 120.400 -0.097 0.000 2.848 113 D HA 0.468 5.127 4.640 0.032 0.000 0.232 113 D C 0.995 177.345 176.300 0.084 0.000 1.107 113 D CA 0.568 54.564 54.000 -0.007 0.000 1.020 113 D CB 0.306 41.094 40.800 -0.020 0.000 1.148 113 D HN 0.351 nan 8.370 nan 0.000 0.453 114 A N -0.004 122.800 122.820 -0.027 0.000 2.238 114 A HA 0.000 4.339 4.320 0.032 0.000 0.210 114 A C 1.102 178.852 177.584 0.277 0.000 1.179 114 A CA -0.040 52.094 52.037 0.162 0.000 0.827 114 A CB -0.414 18.753 19.000 0.278 0.000 0.856 114 A HN 0.338 nan 8.150 nan 0.000 0.488 115 Y N -0.891 119.364 120.300 -0.075 0.000 2.242 115 Y HA -0.045 4.524 4.550 0.031 0.000 0.291 115 Y C 1.428 177.359 175.900 0.051 0.000 1.137 115 Y CA 0.389 58.455 58.100 -0.057 0.000 1.181 115 Y CB -0.798 37.567 38.460 -0.157 0.000 0.989 115 Y HN 0.414 nan 8.280 nan 0.000 0.527 116 F N -0.826 119.265 119.950 0.236 0.000 2.802 116 F HA -0.017 4.529 4.527 0.031 0.000 0.300 116 F C 2.099 178.004 175.800 0.174 0.000 1.168 116 F CA 0.446 58.567 58.000 0.202 0.000 1.433 116 F CB -0.260 38.837 39.000 0.162 0.000 1.115 116 F HN -0.121 nan 8.300 nan 0.000 0.582 117 S N -1.067 114.835 115.700 0.337 0.000 2.427 117 S HA 0.086 4.575 4.470 0.032 0.000 0.224 117 S C 0.813 175.555 174.600 0.237 0.000 1.047 117 S CA 0.058 58.422 58.200 0.273 0.000 0.953 117 S CB 0.113 63.487 63.200 0.290 0.000 0.824 117 S HN -0.093 nan 8.310 nan 0.000 0.502 118 V N 5.434 125.503 119.914 0.258 0.000 2.530 118 V HA 0.262 4.401 4.120 0.032 0.000 0.282 118 V C -2.153 174.012 176.094 0.117 0.000 1.048 118 V CA -1.952 60.451 62.300 0.173 0.000 0.997 118 V CB 0.857 32.788 31.823 0.180 0.000 0.987 118 V HN 0.229 nan 8.190 nan 0.000 0.477 119 P HA 0.223 nan 4.420 nan 0.000 0.277 119 P C -0.914 176.398 177.300 0.021 0.000 1.240 119 P CA -0.518 62.620 63.100 0.062 0.000 0.798 119 P CB 1.532 33.273 31.700 0.068 0.000 0.979 120 L N 2.632 123.852 121.223 -0.004 0.000 2.307 120 L HA 0.297 4.656 4.340 0.032 0.000 0.282 120 L C 0.400 177.257 176.870 -0.023 0.000 1.051 120 L CA -0.390 54.413 54.840 -0.061 0.000 0.804 120 L CB 0.125 42.102 42.059 -0.136 0.000 1.197 120 L HN 0.397 nan 8.230 nan 0.000 0.431 121 D N 3.918 124.307 120.400 -0.018 0.000 2.662 121 D HA -0.116 4.543 4.640 0.032 0.000 0.233 121 D C 0.734 177.059 176.300 0.042 0.000 1.129 121 D CA 0.170 54.188 54.000 0.030 0.000 0.851 121 D CB 0.997 41.834 40.800 0.061 0.000 1.152 121 D HN 0.662 nan 8.370 nan 0.000 0.507 122 E N 3.942 124.162 120.200 0.033 0.000 2.114 122 E HA -0.261 4.108 4.350 0.032 0.000 0.199 122 E C 1.165 177.767 176.600 0.004 0.000 1.008 122 E CA 1.689 58.100 56.400 0.018 0.000 0.810 122 E CB -0.459 29.250 29.700 0.016 0.000 0.739 122 E HN 0.648 nan 8.360 nan 0.000 0.456 123 D N 0.482 120.896 120.400 0.023 0.000 2.097 123 D HA -0.120 4.539 4.640 0.032 0.000 0.197 123 D C 1.724 177.982 176.300 -0.071 0.000 0.984 123 D CA 0.982 54.977 54.000 -0.008 0.000 0.826 123 D CB -0.474 40.349 40.800 0.038 0.000 0.973 123 D HN 0.121 nan 8.370 nan 0.000 0.460 124 F N 1.630 121.509 119.950 -0.118 0.000 2.216 124 F HA -0.043 4.503 4.527 0.032 0.000 0.300 124 F C 1.950 177.579 175.800 -0.284 0.000 1.085 124 F CA 1.002 58.913 58.000 -0.149 0.000 1.326 124 F CB 0.009 38.978 39.000 -0.052 0.000 1.027 124 F HN -0.233 nan 8.300 nan 0.000 0.497 125 R N 0.732 121.233 120.500 0.001 0.000 2.198 125 R HA -0.287 4.072 4.340 0.032 0.000 0.258 125 R C 2.139 178.355 176.300 -0.141 0.000 1.173 125 R CA 2.194 58.273 56.100 -0.036 0.000 0.991 125 R CB -0.660 29.632 30.300 -0.013 0.000 0.879 125 R HN 0.449 nan 8.270 nan 0.000 0.460 126 K N -0.538 119.667 120.400 -0.325 0.000 2.152 126 K HA -0.177 4.162 4.320 0.032 0.000 0.206 126 K C 1.310 177.713 176.600 -0.328 0.000 1.048 126 K CA 1.615 57.711 56.287 -0.318 0.000 0.933 126 K CB -0.373 31.909 32.500 -0.363 0.000 0.721 126 K HN 0.165 nan 8.250 nan 0.000 0.447 127 Y N 2.481 122.535 120.300 -0.410 0.000 2.421 127 Y HA -0.080 4.489 4.550 0.032 0.000 0.292 127 Y C 2.450 178.241 175.900 -0.181 0.000 1.136 127 Y CA 1.155 58.912 58.100 -0.572 0.000 1.255 127 Y CB -0.822 37.055 38.460 -0.971 0.000 0.991 127 Y HN 0.364 nan 8.280 nan 0.000 0.552 128 T N -2.133 112.459 114.554 0.063 0.000 3.148 128 T HA 0.388 4.757 4.350 0.032 0.000 0.253 128 T C 0.944 175.887 174.700 0.405 0.000 1.134 128 T CA 0.118 62.373 62.100 0.257 0.000 1.051 128 T CB -0.700 68.279 68.868 0.185 0.000 0.959 128 T HN 0.210 nan 8.240 nan 0.000 0.525 129 A N 1.750 124.722 122.820 0.254 0.000 2.561 129 A HA 0.501 4.840 4.320 0.032 0.000 0.234 129 A C -0.008 177.753 177.584 0.295 0.000 1.055 129 A CA -0.266 51.878 52.037 0.178 0.000 0.756 129 A CB -0.534 18.554 19.000 0.147 0.000 0.986 129 A HN 0.847 nan 8.150 nan 0.000 0.505 130 F N -1.062 119.020 119.950 0.219 0.000 2.686 130 F HA 0.781 5.327 4.527 0.032 0.000 0.311 130 F C -0.473 175.424 175.800 0.161 0.000 1.128 130 F CA -0.876 57.229 58.000 0.174 0.000 0.946 130 F CB 1.078 40.177 39.000 0.165 0.000 1.336 130 F HN 0.379 nan 8.300 nan 0.000 0.457 131 T N 3.376 118.194 114.554 0.441 0.000 2.863 131 T HA 0.653 5.022 4.350 0.032 0.000 0.285 131 T C -0.851 174.043 174.700 0.323 0.000 1.009 131 T CA -0.512 61.770 62.100 0.303 0.000 0.989 131 T CB 1.654 70.623 68.868 0.169 0.000 1.004 131 T HN 0.519 nan 8.240 nan 0.000 0.455 132 I N 5.124 125.861 120.570 0.279 0.000 2.354 132 I HA 0.330 4.519 4.170 0.032 0.000 0.286 132 I C -1.936 174.264 176.117 0.138 0.000 1.007 132 I CA -2.699 58.732 61.300 0.219 0.000 1.167 132 I CB 1.329 39.479 38.000 0.251 0.000 1.320 132 I HN 0.352 nan 8.210 nan 0.000 0.458 133 P HA 0.235 nan 4.420 nan 0.000 0.329 133 P C -0.188 177.147 177.300 0.058 0.000 1.319 133 P CA -0.215 62.933 63.100 0.080 0.000 0.742 133 P CB 1.376 33.128 31.700 0.086 0.000 1.564 134 S N -2.624 113.102 115.700 0.043 0.000 2.661 134 S HA 0.441 4.930 4.470 0.032 0.000 0.285 134 S C 1.377 175.992 174.600 0.025 0.000 1.138 134 S CA -0.834 57.383 58.200 0.028 0.000 0.855 134 S CB 0.173 63.384 63.200 0.020 0.000 1.136 134 S HN 0.292 nan 8.310 nan 0.000 0.484 135 I N 2.222 122.801 120.570 0.015 0.000 2.352 135 I HA -0.316 3.873 4.170 0.032 0.000 0.214 135 I C 1.438 177.567 176.117 0.019 0.000 0.961 135 I CA 2.195 63.502 61.300 0.013 0.000 1.290 135 I CB -0.743 37.261 38.000 0.006 0.000 0.997 135 I HN 0.833 nan 8.210 nan 0.000 0.375 136 N N 1.792 120.501 118.700 0.015 0.000 2.482 136 N HA -0.049 4.710 4.740 0.032 0.000 0.220 136 N C 0.208 175.728 175.510 0.017 0.000 1.255 136 N CA 0.308 53.367 53.050 0.016 0.000 0.850 136 N CB -0.756 37.738 38.487 0.011 0.000 1.127 136 N HN 0.510 nan 8.380 nan 0.000 0.475 137 N N 0.676 119.390 118.700 0.022 0.000 2.705 137 N HA -0.289 4.470 4.740 0.032 0.000 0.255 137 N C 0.439 175.958 175.510 0.015 0.000 1.008 137 N CA 0.388 53.452 53.050 0.023 0.000 0.742 137 N CB -0.048 38.454 38.487 0.025 0.000 0.906 137 N HN 0.566 nan 8.380 nan 0.000 0.541 138 E N -0.439 119.768 120.200 0.012 0.000 1.963 138 E HA -0.190 4.179 4.350 0.032 0.000 0.215 138 E C 1.037 177.640 176.600 0.004 0.000 0.993 138 E CA 2.254 58.657 56.400 0.007 0.000 0.880 138 E CB -0.570 29.132 29.700 0.004 0.000 0.811 138 E HN 0.539 nan 8.360 nan 0.000 0.539 139 T N 0.252 114.807 114.554 0.001 0.000 3.431 139 T HA 0.212 4.581 4.350 0.032 0.000 0.207 139 T C -1.930 172.768 174.700 -0.004 0.000 0.979 139 T CA 0.150 62.249 62.100 -0.003 0.000 1.141 139 T CB -0.509 68.355 68.868 -0.007 0.000 1.278 139 T HN 0.285 nan 8.240 nan 0.000 0.334 140 P HA 0.659 nan 4.420 nan 0.000 0.286 140 P C -0.829 176.469 177.300 -0.003 0.000 1.292 140 P CA -0.293 62.800 63.100 -0.012 0.000 0.842 140 P CB 1.276 32.961 31.700 -0.026 0.000 1.207 141 G N -0.092 108.708 108.800 -0.001 0.000 2.454 141 G HA2 0.538 4.517 3.960 0.032 0.000 0.329 141 G HA3 0.538 4.517 3.960 0.032 0.000 0.329 141 G C -0.868 174.025 174.900 -0.011 0.000 1.177 141 G CA -0.693 44.417 45.100 0.017 0.000 0.951 141 G HN 0.320 nan 8.290 nan 0.000 0.485 142 I N 1.213 121.784 120.570 0.001 0.000 2.379 142 I HA 0.244 4.433 4.170 0.032 0.000 0.290 142 I C 0.956 177.014 176.117 -0.098 0.000 1.063 142 I CA 0.069 61.325 61.300 -0.073 0.000 1.351 142 I CB 0.561 38.555 38.000 -0.011 0.000 1.410 142 I HN 0.248 nan 8.210 nan 0.000 0.505 143 R N 5.631 125.988 120.500 -0.239 0.000 2.540 143 R HA 0.681 5.040 4.340 0.032 0.000 0.287 143 R C -1.175 174.830 176.300 -0.492 0.000 0.980 143 R CA -0.674 55.283 56.100 -0.238 0.000 0.966 143 R CB 1.519 31.723 30.300 -0.159 0.000 1.106 143 R HN 0.414 nan 8.270 nan 0.000 0.480 144 Y N -0.453 119.538 120.300 -0.515 0.000 2.818 144 Y HA 0.261 4.830 4.550 0.032 0.000 0.322 144 Y C -0.587 174.886 175.900 -0.712 0.000 1.323 144 Y CA -0.872 56.843 58.100 -0.642 0.000 1.090 144 Y CB 2.090 40.043 38.460 -0.846 0.000 1.328 144 Y HN 0.516 nan 8.280 nan 0.000 0.482 145 Q N -0.657 119.005 119.800 -0.232 0.000 2.472 145 Q HA 0.501 4.860 4.340 0.032 0.000 0.281 145 Q C -2.356 173.721 176.000 0.127 0.000 0.997 145 Q CA -1.065 54.722 55.803 -0.026 0.000 0.828 145 Q CB 1.816 30.556 28.738 0.005 0.000 1.443 145 Q HN 0.535 nan 8.270 nan 0.000 0.390 146 Y N 1.569 121.946 120.300 0.128 0.000 2.304 146 Y HA 0.291 4.860 4.550 0.032 0.000 0.328 146 Y C 0.756 176.673 175.900 0.028 0.000 1.123 146 Y CA -0.292 57.877 58.100 0.115 0.000 1.218 146 Y CB 1.063 39.573 38.460 0.083 0.000 1.207 146 Y HN 0.717 nan 8.280 nan 0.000 0.495 147 N N 1.231 120.023 118.700 0.154 0.000 2.254 147 N HA 0.073 4.832 4.740 0.032 0.000 0.190 147 N C -0.630 174.930 175.510 0.084 0.000 1.107 147 N CA 0.340 53.444 53.050 0.089 0.000 0.869 147 N CB 1.358 39.888 38.487 0.071 0.000 0.983 147 N HN 0.349 nan 8.380 nan 0.000 0.487 148 V N 0.998 120.985 119.914 0.121 0.000 3.040 148 V HA 0.399 4.538 4.120 0.032 0.000 0.312 148 V C -0.787 175.283 176.094 -0.041 0.000 1.115 148 V CA -0.981 61.361 62.300 0.070 0.000 0.998 148 V CB 2.356 34.263 31.823 0.140 0.000 1.042 148 V HN -0.059 nan 8.190 nan 0.000 0.433 149 L N 5.741 126.893 121.223 -0.119 0.000 2.584 149 L HA 0.229 4.588 4.340 0.032 0.000 0.272 149 L C -2.210 174.405 176.870 -0.426 0.000 1.195 149 L CA -1.018 53.687 54.840 -0.224 0.000 0.920 149 L CB 0.120 42.103 42.059 -0.125 0.000 1.173 149 L HN 0.503 nan 8.230 nan 0.000 0.489 150 P HA 0.170 nan 4.420 nan 0.000 0.288 150 P C -0.927 176.229 177.300 -0.240 0.000 1.267 150 P CA -0.818 61.884 63.100 -0.662 0.000 0.815 150 P CB 0.914 31.941 31.700 -1.121 0.000 0.989 151 Q N 1.697 121.502 119.800 0.007 0.000 2.255 151 Q HA 0.378 4.737 4.340 0.032 0.000 0.280 151 Q C 1.293 177.485 176.000 0.320 0.000 1.068 151 Q CA 1.966 57.966 55.803 0.327 0.000 0.911 151 Q CB -0.627 28.450 28.738 0.565 0.000 1.157 151 Q HN 0.822 nan 8.270 nan 0.000 0.380 152 G N 3.058 112.002 108.800 0.240 0.000 2.284 152 G HA2 -0.271 3.708 3.960 0.032 0.000 0.216 152 G HA3 -0.271 3.708 3.960 0.032 0.000 0.216 152 G C -0.513 174.511 174.900 0.205 0.000 1.009 152 G CA -0.219 45.044 45.100 0.272 0.000 0.625 152 G HN 0.684 nan 8.290 nan 0.000 0.501 153 W N 3.379 124.572 121.300 -0.178 0.000 2.251 153 W HA 0.537 5.217 4.660 0.032 0.000 0.327 153 W C 1.510 177.852 176.519 -0.295 0.000 1.361 153 W CA 0.380 57.489 57.345 -0.394 0.000 1.234 153 W CB 0.798 29.795 29.460 -0.771 0.000 1.212 153 W HN 0.289 nan 8.180 nan 0.000 0.557 154 K N 3.306 123.154 120.400 -0.920 0.000 2.077 154 K HA -0.237 4.102 4.320 0.032 0.000 0.213 154 K C 1.874 177.748 176.600 -1.211 0.000 1.051 154 K CA 2.299 58.083 56.287 -0.838 0.000 0.929 154 K CB -0.687 31.491 32.500 -0.537 0.000 0.715 154 K HN 0.773 nan 8.250 nan 0.000 0.451 155 G N -0.602 106.791 108.800 -2.344 0.000 2.511 155 G HA2 -0.125 3.854 3.960 0.032 0.000 0.217 155 G HA3 -0.125 3.854 3.960 0.032 0.000 0.217 155 G C 1.327 175.353 174.900 -1.456 0.000 1.133 155 G CA 0.573 44.280 45.100 -2.322 0.000 0.792 155 G HN 0.322 nan 8.290 nan 0.000 0.539 156 S N 1.977 117.035 115.700 -1.071 0.000 2.378 156 S HA -0.148 4.341 4.470 0.032 0.000 0.229 156 S C 0.131 174.243 174.600 -0.812 0.000 1.052 156 S CA 1.859 59.591 58.200 -0.781 0.000 1.084 156 S CB -1.042 61.602 63.200 -0.927 0.000 0.950 156 S HN 0.339 nan 8.310 nan 0.000 0.440 157 P HA -0.010 nan 4.420 nan 0.000 0.216 157 P C 1.394 178.556 177.300 -0.229 0.000 1.150 157 P CA 1.472 64.386 63.100 -0.309 0.000 0.837 157 P CB -0.101 31.466 31.700 -0.222 0.000 0.786 158 A N -0.924 121.645 122.820 -0.418 0.000 1.897 158 A HA -0.103 4.236 4.320 0.032 0.000 0.215 158 A C 2.162 179.598 177.584 -0.246 0.000 1.181 158 A CA 1.167 53.008 52.037 -0.327 0.000 0.620 158 A CB -1.467 17.259 19.000 -0.457 0.000 0.821 158 A HN 0.090 nan 8.150 nan 0.000 0.443 159 I N -1.898 118.476 120.570 -0.326 0.000 2.252 159 I HA -0.186 4.003 4.170 0.032 0.000 0.245 159 I C 2.308 178.352 176.117 -0.122 0.000 1.102 159 I CA 1.345 62.532 61.300 -0.188 0.000 1.385 159 I CB -0.337 37.563 38.000 -0.167 0.000 1.064 159 I HN 0.401 nan 8.210 nan 0.000 0.414 160 F N 1.613 121.450 119.950 -0.188 0.000 2.269 160 F HA -0.275 4.271 4.527 0.031 0.000 0.301 160 F C 2.534 178.300 175.800 -0.057 0.000 1.082 160 F CA 1.844 59.805 58.000 -0.065 0.000 1.360 160 F CB -0.156 38.894 39.000 0.084 0.000 1.041 160 F HN 0.045 nan 8.300 nan 0.000 0.512 161 Q N 0.232 119.983 119.800 -0.082 0.000 2.062 161 Q HA -0.128 4.231 4.340 0.032 0.000 0.196 161 Q C 2.379 178.261 176.000 -0.196 0.000 0.967 161 Q CA 2.171 57.899 55.803 -0.125 0.000 0.832 161 Q CB -0.295 28.416 28.738 -0.045 0.000 0.899 161 Q HN 0.431 nan 8.270 nan 0.000 0.442 162 S N -0.579 115.029 115.700 -0.152 0.000 2.368 162 S HA -0.146 4.343 4.470 0.032 0.000 0.225 162 S C 2.153 176.639 174.600 -0.190 0.000 1.030 162 S CA 1.222 59.345 58.200 -0.128 0.000 0.999 162 S CB -0.694 62.463 63.200 -0.072 0.000 0.844 162 S HN 0.328 nan 8.310 nan 0.000 0.459 163 S N 2.129 117.680 115.700 -0.248 0.000 2.365 163 S HA -0.158 4.331 4.470 0.032 0.000 0.221 163 S C 1.900 176.266 174.600 -0.391 0.000 1.037 163 S CA 1.900 59.920 58.200 -0.300 0.000 1.060 163 S CB -0.622 62.375 63.200 -0.338 0.000 0.974 163 S HN 0.576 nan 8.310 nan 0.000 0.427 164 M N 1.771 121.055 119.600 -0.528 0.000 2.195 164 M HA -0.129 4.370 4.480 0.032 0.000 0.260 164 M C 1.786 177.883 176.300 -0.339 0.000 1.066 164 M CA 1.670 56.676 55.300 -0.490 0.000 1.089 164 M CB -1.131 31.135 32.600 -0.556 0.000 1.377 164 M HN 0.253 nan 8.290 nan 0.000 0.411 165 T N 0.254 114.651 114.554 -0.261 0.000 2.821 165 T HA -0.113 4.256 4.350 0.032 0.000 0.267 165 T C 1.770 176.368 174.700 -0.170 0.000 1.046 165 T CA 1.566 63.561 62.100 -0.175 0.000 1.139 165 T CB -0.161 68.636 68.868 -0.118 0.000 0.871 165 T HN 0.474 nan 8.240 nan 0.000 0.454 166 K N 0.859 121.138 120.400 -0.203 0.000 1.985 166 K HA 0.052 4.391 4.320 0.032 0.000 0.210 166 K C 2.262 178.699 176.600 -0.271 0.000 1.047 166 K CA 1.201 57.371 56.287 -0.194 0.000 0.932 166 K CB -0.405 31.972 32.500 -0.205 0.000 0.716 166 K HN 0.268 nan 8.250 nan 0.000 0.439 167 I N 1.236 121.534 120.570 -0.453 0.000 2.300 167 I HA -0.277 3.912 4.170 0.032 0.000 0.252 167 I C 1.693 177.544 176.117 -0.442 0.000 1.119 167 I CA 0.961 61.853 61.300 -0.680 0.000 1.384 167 I CB -0.205 37.289 38.000 -0.843 0.000 1.062 167 I HN 0.159 nan 8.210 nan 0.000 0.426 168 L N -0.097 120.954 121.223 -0.286 0.000 2.529 168 L HA 0.013 4.372 4.340 0.032 0.000 0.223 168 L C 2.270 179.168 176.870 0.046 0.000 1.113 168 L CA 1.024 55.777 54.840 -0.145 0.000 0.861 168 L CB -1.205 40.756 42.059 -0.164 0.000 1.012 168 L HN 0.278 nan 8.230 nan 0.000 0.461 169 E N 1.215 121.419 120.200 0.006 0.000 2.065 169 E HA -0.237 4.132 4.350 0.032 0.000 0.201 169 E C -0.648 176.024 176.600 0.120 0.000 1.016 169 E CA 2.065 58.495 56.400 0.050 0.000 0.818 169 E CB -0.554 29.154 29.700 0.012 0.000 0.749 169 E HN 0.287 nan 8.360 nan 0.000 0.453 170 P HA -0.177 nan 4.420 nan 0.000 0.214 170 P C 1.621 179.030 177.300 0.181 0.000 1.162 170 P CA 1.178 64.371 63.100 0.155 0.000 0.879 170 P CB -0.480 31.319 31.700 0.165 0.000 0.786 171 F N 1.750 121.813 119.950 0.188 0.000 2.126 171 F HA -0.162 4.383 4.527 0.031 0.000 0.299 171 F C 2.426 178.278 175.800 0.087 0.000 1.096 171 F CA 1.478 59.576 58.000 0.164 0.000 1.255 171 F CB -0.572 38.652 39.000 0.373 0.000 0.997 171 F HN -0.261 nan 8.300 nan 0.000 0.479 172 R N 0.117 120.854 120.500 0.395 0.000 2.096 172 R HA -0.132 4.227 4.340 0.032 0.000 0.235 172 R C 2.190 178.572 176.300 0.137 0.000 1.127 172 R CA 1.105 57.359 56.100 0.256 0.000 0.968 172 R CB -0.462 29.928 30.300 0.149 0.000 0.861 172 R HN 0.230 nan 8.270 nan 0.000 0.440 173 K N 1.260 121.715 120.400 0.093 0.000 2.025 173 K HA -0.130 4.209 4.320 0.032 0.000 0.207 173 K C 2.102 178.703 176.600 0.002 0.000 1.049 173 K CA 1.471 57.783 56.287 0.041 0.000 0.933 173 K CB -0.203 32.317 32.500 0.033 0.000 0.714 173 K HN 0.314 nan 8.250 nan 0.000 0.438 174 Q N 0.463 120.236 119.800 -0.045 0.000 2.224 174 Q HA -0.035 4.324 4.340 0.032 0.000 0.203 174 Q C 0.119 176.044 176.000 -0.125 0.000 0.970 174 Q CA 0.790 56.526 55.803 -0.112 0.000 0.865 174 Q CB 0.092 28.705 28.738 -0.209 0.000 0.922 174 Q HN 0.220 nan 8.270 nan 0.000 0.445 175 N N 0.802 119.443 118.700 -0.098 0.000 2.886 175 N HA 0.123 4.882 4.740 0.032 0.000 0.285 175 N C -2.258 173.292 175.510 0.066 0.000 1.706 175 N CA -0.812 52.217 53.050 -0.036 0.000 0.904 175 N CB 1.155 39.607 38.487 -0.058 0.000 1.224 175 N HN 0.148 nan 8.380 nan 0.000 0.488 176 P HA -0.069 nan 4.420 nan 0.000 0.234 176 P C 0.353 177.686 177.300 0.056 0.000 1.167 176 P CA 0.899 64.031 63.100 0.054 0.000 0.763 176 P CB 0.306 32.026 31.700 0.034 0.000 0.835 177 D N -0.839 119.593 120.400 0.054 0.000 2.349 177 D HA 0.025 4.684 4.640 0.032 0.000 0.215 177 D C 0.838 177.185 176.300 0.078 0.000 1.016 177 D CA -0.006 54.027 54.000 0.055 0.000 0.870 177 D CB -0.470 40.357 40.800 0.044 0.000 0.917 177 D HN 0.229 nan 8.370 nan 0.000 0.524 178 I N 0.383 121.015 120.570 0.103 0.000 2.607 178 I HA 0.317 4.506 4.170 0.032 0.000 0.305 178 I C -0.549 175.634 176.117 0.110 0.000 0.995 178 I CA -1.252 60.123 61.300 0.125 0.000 1.148 178 I CB 2.454 40.564 38.000 0.183 0.000 1.323 178 I HN -0.282 nan 8.210 nan 0.000 0.461 179 V N 6.344 126.314 119.914 0.094 0.000 2.540 179 V HA 0.510 4.649 4.120 0.032 0.000 0.302 179 V C -0.157 175.979 176.094 0.070 0.000 1.035 179 V CA -0.469 61.875 62.300 0.073 0.000 0.873 179 V CB 1.858 33.710 31.823 0.049 0.000 0.992 179 V HN 0.439 nan 8.190 nan 0.000 0.428 180 I N 4.512 125.122 120.570 0.068 0.000 2.646 180 I HA 0.580 4.769 4.170 0.032 0.000 0.299 180 I C -1.403 174.797 176.117 0.139 0.000 1.036 180 I CA -0.947 60.388 61.300 0.058 0.000 1.074 180 I CB 2.267 40.253 38.000 -0.023 0.000 1.258 180 I HN 0.709 nan 8.210 nan 0.000 0.430 181 Y N 4.941 125.252 120.300 0.020 0.000 2.358 181 Y HA 0.321 4.890 4.550 0.032 0.000 0.324 181 Y C -1.279 174.697 175.900 0.126 0.000 1.123 181 Y CA -0.541 57.583 58.100 0.041 0.000 1.067 181 Y CB 1.333 39.778 38.460 -0.025 0.000 1.230 181 Y HN 0.583 nan 8.280 nan 0.000 0.429 182 Q N 5.108 124.632 119.800 -0.459 0.000 2.235 182 Q HA 0.409 4.767 4.340 0.032 0.000 0.256 182 Q C -2.121 173.535 176.000 -0.573 0.000 0.951 182 Q CA -0.942 54.650 55.803 -0.351 0.000 0.890 182 Q CB 1.910 30.549 28.738 -0.165 0.000 1.279 182 Q HN 0.823 nan 8.270 nan 0.000 0.444 183 Y N 5.167 125.269 120.300 -0.331 0.000 2.298 183 Y HA 0.281 4.851 4.550 0.032 0.000 0.322 183 Y C -0.238 175.674 175.900 0.019 0.000 1.138 183 Y CA -0.355 57.656 58.100 -0.149 0.000 1.127 183 Y CB 0.690 39.180 38.460 0.049 0.000 1.178 183 Y HN 1.021 nan 8.280 nan 0.000 0.428 184 M N 2.653 121.929 119.600 -0.540 0.000 7.319 184 M HA -0.325 4.174 4.480 0.032 0.000 0.294 184 M C -0.073 176.081 176.300 -0.244 0.000 0.480 184 M CA 2.790 57.840 55.300 -0.418 0.000 1.311 184 M CB -1.008 31.297 32.600 -0.492 0.000 0.421 184 M HN 0.836 nan 8.290 nan 0.000 0.557 185 D N -0.123 120.124 120.400 -0.255 0.000 2.643 185 D HA 0.379 5.038 4.640 0.032 0.000 0.244 185 D C -0.989 175.218 176.300 -0.155 0.000 1.257 185 D CA -0.293 53.541 54.000 -0.277 0.000 0.831 185 D CB -0.105 40.430 40.800 -0.441 0.000 1.043 185 D HN 0.333 nan 8.370 nan 0.000 0.488 186 D N 0.731 121.075 120.400 -0.094 0.000 2.502 186 D HA 0.256 4.915 4.640 0.032 0.000 0.249 186 D C -1.034 175.130 176.300 -0.227 0.000 1.092 186 D CA -0.651 53.233 54.000 -0.194 0.000 0.839 186 D CB 2.245 42.928 40.800 -0.195 0.000 1.264 186 D HN 0.046 nan 8.370 nan 0.000 0.511 187 L N 3.148 124.189 121.223 -0.302 0.000 2.257 187 L HA 0.294 4.653 4.340 0.032 0.000 0.290 187 L C -1.270 175.387 176.870 -0.355 0.000 1.044 187 L CA -0.471 54.234 54.840 -0.225 0.000 0.810 187 L CB 0.273 42.227 42.059 -0.175 0.000 1.193 187 L HN 0.243 nan 8.230 nan 0.000 0.425 188 Y N 4.484 124.732 120.300 -0.086 0.000 2.385 188 Y HA 0.506 5.075 4.550 0.032 0.000 0.341 188 Y C -0.052 175.823 175.900 -0.042 0.000 0.965 188 Y CA -0.697 57.346 58.100 -0.095 0.000 1.180 188 Y CB 1.210 39.617 38.460 -0.089 0.000 1.139 188 Y HN 0.257 nan 8.280 nan 0.000 0.502 189 V N 2.765 122.711 119.914 0.054 0.000 2.435 189 V HA 0.925 5.064 4.120 0.032 0.000 0.290 189 V C 0.335 176.531 176.094 0.171 0.000 1.030 189 V CA -0.729 61.615 62.300 0.075 0.000 0.881 189 V CB 1.338 33.159 31.823 -0.003 0.000 0.983 189 V HN 0.866 nan 8.190 nan 0.000 0.445 190 G N 2.151 111.053 108.800 0.170 0.000 2.672 190 G HA2 0.852 4.831 3.960 0.032 0.000 0.292 190 G HA3 0.852 4.831 3.960 0.032 0.000 0.292 190 G C -0.825 174.207 174.900 0.221 0.000 1.375 190 G CA -0.013 45.214 45.100 0.211 0.000 0.890 190 G HN 1.247 nan 8.290 nan 0.000 0.476 191 S N -1.085 114.748 115.700 0.221 0.000 2.656 191 S HA 0.476 4.965 4.470 0.032 0.000 0.265 191 S C -1.443 173.233 174.600 0.127 0.000 1.132 191 S CA -0.622 57.693 58.200 0.191 0.000 0.819 191 S CB 1.790 65.156 63.200 0.277 0.000 1.119 191 S HN 0.283 nan 8.310 nan 0.000 0.476 192 D N 0.749 121.211 120.400 0.103 0.000 2.501 192 D HA 0.394 5.053 4.640 0.032 0.000 0.226 192 D C 0.225 176.571 176.300 0.077 0.000 1.198 192 D CA -0.097 53.943 54.000 0.067 0.000 0.830 192 D CB -0.013 40.813 40.800 0.045 0.000 1.014 192 D HN 0.442 nan 8.370 nan 0.000 0.496 193 L N 0.649 121.946 121.223 0.123 0.000 2.472 193 L HA 0.113 4.472 4.340 0.032 0.000 0.260 193 L C 1.206 178.134 176.870 0.097 0.000 1.209 193 L CA -0.211 54.696 54.840 0.113 0.000 0.817 193 L CB 0.573 42.720 42.059 0.147 0.000 1.106 193 L HN -0.001 nan 8.230 nan 0.000 0.479 194 E N 1.656 121.902 120.200 0.076 0.000 2.392 194 E HA -0.024 4.345 4.350 0.032 0.000 0.264 194 E C 1.110 177.762 176.600 0.087 0.000 1.024 194 E CA -0.272 56.164 56.400 0.060 0.000 0.903 194 E CB 1.081 30.808 29.700 0.046 0.000 0.963 194 E HN 0.592 nan 8.360 nan 0.000 0.432 195 I N 1.959 122.570 120.570 0.069 0.000 2.315 195 I HA -0.174 4.015 4.170 0.032 0.000 0.251 195 I C 1.681 177.867 176.117 0.115 0.000 1.125 195 I CA 1.795 63.147 61.300 0.087 0.000 1.392 195 I CB -0.568 37.457 38.000 0.042 0.000 1.065 195 I HN 0.500 nan 8.210 nan 0.000 0.424 196 G N 0.149 108.998 108.800 0.082 0.000 2.394 196 G HA2 -0.182 3.796 3.960 0.032 0.000 0.215 196 G HA3 -0.182 3.796 3.960 0.032 0.000 0.215 196 G C 1.612 176.561 174.900 0.081 0.000 1.165 196 G CA 0.314 45.457 45.100 0.072 0.000 0.784 196 G HN 0.336 nan 8.290 nan 0.000 0.535 197 Q N 0.199 120.048 119.800 0.081 0.000 2.002 197 Q HA -0.174 4.185 4.340 0.032 0.000 0.204 197 Q C 2.221 178.274 176.000 0.088 0.000 0.988 197 Q CA 2.070 57.917 55.803 0.073 0.000 0.843 197 Q CB -0.678 28.100 28.738 0.066 0.000 0.908 197 Q HN 0.729 nan 8.270 nan 0.000 0.420 198 H N 0.405 119.507 119.070 0.054 0.000 2.319 198 H HA -0.127 4.448 4.556 0.032 0.000 0.297 198 H C 2.165 177.536 175.328 0.071 0.000 1.097 198 H CA 2.358 58.446 56.048 0.066 0.000 1.285 198 H CB 0.030 29.828 29.762 0.060 0.000 1.368 198 H HN 0.078 nan 8.280 nan 0.000 0.495 199 R N -0.224 120.379 120.500 0.172 0.000 2.091 199 R HA -0.139 4.220 4.340 0.032 0.000 0.238 199 R C 1.825 178.159 176.300 0.057 0.000 1.136 199 R CA 1.970 58.145 56.100 0.124 0.000 0.959 199 R CB -0.527 29.840 30.300 0.112 0.000 0.856 199 R HN 0.413 nan 8.270 nan 0.000 0.437 200 T N 1.719 116.303 114.554 0.050 0.000 2.643 200 T HA -0.102 4.267 4.350 0.032 0.000 0.264 200 T C 1.754 176.482 174.700 0.046 0.000 1.045 200 T CA 1.373 63.498 62.100 0.043 0.000 1.155 200 T CB -0.098 68.793 68.868 0.038 0.000 0.863 200 T HN 0.207 nan 8.240 nan 0.000 0.420 201 K N 1.002 121.421 120.400 0.031 0.000 2.074 201 K HA -0.048 4.291 4.320 0.032 0.000 0.209 201 K C 2.218 178.893 176.600 0.126 0.000 1.048 201 K CA 0.960 57.304 56.287 0.096 0.000 0.926 201 K CB -0.739 31.796 32.500 0.058 0.000 0.713 201 K HN 0.332 nan 8.250 nan 0.000 0.444 202 I N 1.150 121.709 120.570 -0.019 0.000 2.179 202 I HA -0.231 3.958 4.170 0.032 0.000 0.242 202 I C 2.383 178.525 176.117 0.042 0.000 1.088 202 I CA 1.298 62.584 61.300 -0.024 0.000 1.357 202 I CB -1.092 36.889 38.000 -0.031 0.000 1.051 202 I HN 0.200 nan 8.210 nan 0.000 0.409 203 E N 1.300 121.535 120.200 0.059 0.000 2.118 203 E HA -0.262 4.107 4.350 0.032 0.000 0.195 203 E C 2.074 178.742 176.600 0.113 0.000 0.992 203 E CA 1.640 58.084 56.400 0.073 0.000 0.804 203 E CB -0.164 29.574 29.700 0.063 0.000 0.741 203 E HN 0.497 nan 8.360 nan 0.000 0.458 204 E N -0.121 120.175 120.200 0.160 0.000 2.017 204 E HA -0.178 4.191 4.350 0.032 0.000 0.193 204 E C 2.158 178.981 176.600 0.371 0.000 0.997 204 E CA 1.266 57.808 56.400 0.238 0.000 0.804 204 E CB -0.378 29.471 29.700 0.249 0.000 0.757 204 E HN 0.381 nan 8.360 nan 0.000 0.448 205 L N 1.066 122.557 121.223 0.445 0.000 2.079 205 L HA -0.220 4.139 4.340 0.032 0.000 0.210 205 L C 2.661 179.579 176.870 0.079 0.000 1.081 205 L CA 1.694 56.604 54.840 0.116 0.000 0.752 205 L CB -0.395 41.371 42.059 -0.489 0.000 0.896 205 L HN 0.203 nan 8.230 nan 0.000 0.433 206 R N -0.538 120.001 120.500 0.066 0.000 2.120 206 R HA -0.193 4.166 4.340 0.032 0.000 0.234 206 R C 2.219 178.583 176.300 0.106 0.000 1.123 206 R CA 1.582 57.714 56.100 0.054 0.000 0.975 206 R CB 0.003 30.329 30.300 0.044 0.000 0.866 206 R HN 0.580 nan 8.270 nan 0.000 0.446 207 Q N -1.386 118.505 119.800 0.151 0.000 2.163 207 Q HA -0.149 4.210 4.340 0.032 0.000 0.198 207 Q C 1.850 177.993 176.000 0.238 0.000 0.954 207 Q CA 0.947 56.843 55.803 0.155 0.000 0.851 207 Q CB -0.126 28.686 28.738 0.123 0.000 0.928 207 Q HN 0.410 nan 8.270 nan 0.000 0.459 208 H N 1.898 121.079 119.070 0.185 0.000 2.251 208 H HA -0.128 4.447 4.556 0.032 0.000 0.294 208 H C 1.877 177.400 175.328 0.326 0.000 1.078 208 H CA 1.775 57.982 56.048 0.266 0.000 1.246 208 H CB -0.513 29.458 29.762 0.348 0.000 1.358 208 H HN 0.131 nan 8.280 nan 0.000 0.488 209 L N -0.284 121.069 121.223 0.217 0.000 2.079 209 L HA -0.179 4.180 4.340 0.032 0.000 0.210 209 L C 2.707 179.736 176.870 0.265 0.000 1.081 209 L CA 0.873 55.800 54.840 0.145 0.000 0.752 209 L CB -0.641 41.417 42.059 -0.003 0.000 0.896 209 L HN 0.242 nan 8.230 nan 0.000 0.433 210 L N 0.207 121.549 121.223 0.198 0.000 2.127 210 L HA -0.186 4.173 4.340 0.032 0.000 0.211 210 L C 2.665 179.610 176.870 0.125 0.000 1.089 210 L CA 1.633 56.560 54.840 0.145 0.000 0.757 210 L CB -0.726 41.397 42.059 0.107 0.000 0.899 210 L HN 0.122 nan 8.230 nan 0.000 0.434 211 R N -1.981 118.603 120.500 0.139 0.000 2.120 211 R HA -0.189 4.170 4.340 0.032 0.000 0.234 211 R C 1.389 177.566 176.300 -0.205 0.000 1.123 211 R CA 1.727 57.782 56.100 -0.074 0.000 0.975 211 R CB -0.320 29.890 30.300 -0.150 0.000 0.866 211 R HN 0.433 nan 8.270 nan 0.000 0.446 212 W N -0.367 120.977 121.300 0.074 0.000 3.434 212 W HA 0.239 4.918 4.660 0.032 0.000 0.297 212 W C 1.284 177.830 176.519 0.046 0.000 1.295 212 W CA 0.565 57.940 57.345 0.049 0.000 1.731 212 W CB 0.180 29.654 29.460 0.024 0.000 1.070 212 W HN 0.307 nan 8.180 nan 0.000 0.726 213 G N 0.217 109.128 108.800 0.184 0.000 2.284 213 G HA2 -0.340 3.639 3.960 0.032 0.000 0.247 213 G HA3 -0.340 3.639 3.960 0.032 0.000 0.247 213 G C 0.304 175.292 174.900 0.147 0.000 1.012 213 G CA -0.035 45.151 45.100 0.143 0.000 0.618 213 G HN 0.154 nan 8.290 nan 0.000 0.521 214 L N 2.631 123.959 121.223 0.175 0.000 2.623 214 L HA 0.371 4.730 4.340 0.032 0.000 0.281 214 L C 1.200 178.132 176.870 0.104 0.000 1.150 214 L CA 0.377 55.303 54.840 0.143 0.000 0.965 214 L CB 0.391 42.531 42.059 0.135 0.000 1.303 214 L HN 0.259 nan 8.230 nan 0.000 0.467 215 T N 2.118 116.724 114.554 0.087 0.000 2.910 215 T HA 0.265 4.634 4.350 0.032 0.000 0.293 215 T C 0.248 174.975 174.700 0.046 0.000 1.015 215 T CA -0.156 61.983 62.100 0.064 0.000 1.094 215 T CB 0.774 69.676 68.868 0.057 0.000 0.968 215 T HN 0.523 nan 8.240 nan 0.000 0.521 216 T N 5.503 120.080 114.554 0.038 0.000 2.918 216 T HA 0.605 4.974 4.350 0.032 0.000 0.286 216 T C -2.169 172.551 174.700 0.033 0.000 1.026 216 T CA -0.927 61.187 62.100 0.023 0.000 1.031 216 T CB 1.415 70.292 68.868 0.016 0.000 1.046 216 T HN 0.654 nan 8.240 nan 0.000 0.479 217 P HA 0.130 nan 4.420 nan 0.000 0.268 217 P C -0.627 176.735 177.300 0.103 0.000 1.208 217 P CA -0.438 62.706 63.100 0.074 0.000 0.777 217 P CB 0.496 32.216 31.700 0.034 0.000 0.875 218 D N 1.389 121.876 120.400 0.145 0.000 2.382 218 D HA -0.018 4.641 4.640 0.032 0.000 0.240 218 D C 0.859 177.233 176.300 0.124 0.000 1.146 218 D CA -0.373 53.688 54.000 0.101 0.000 0.897 218 D CB 1.091 41.913 40.800 0.037 0.000 1.197 218 D HN 0.238 nan 8.370 nan 0.000 0.432 219 K N 0.648 121.090 120.400 0.071 0.000 2.211 219 K HA -0.212 4.127 4.320 0.032 0.000 0.204 219 K C 1.707 178.347 176.600 0.068 0.000 1.047 219 K CA 1.146 57.473 56.287 0.066 0.000 0.935 219 K CB -0.032 32.493 32.500 0.042 0.000 0.728 219 K HN 0.179 nan 8.250 nan 0.000 0.452 220 K N 0.433 120.851 120.400 0.030 0.000 2.362 220 K HA -0.153 4.186 4.320 0.032 0.000 0.202 220 K C -0.508 176.121 176.600 0.049 0.000 1.045 220 K CA 1.312 57.586 56.287 -0.023 0.000 0.936 220 K CB -0.116 32.304 32.500 -0.133 0.000 0.747 220 K HN 0.474 nan 8.250 nan 0.000 0.467 221 H N -2.064 117.016 119.070 0.017 0.000 3.225 221 H HA 0.319 4.894 4.556 0.032 0.000 0.338 221 H C -1.619 173.727 175.328 0.029 0.000 1.433 221 H CA -0.949 55.112 56.048 0.022 0.000 1.648 221 H CB -1.021 28.752 29.762 0.018 0.000 2.064 221 H HN 0.100 nan 8.280 nan 0.000 0.587 222 Q N 2.677 122.552 119.800 0.125 0.000 2.377 222 Q HA 0.491 4.850 4.340 0.032 0.000 0.271 222 Q C -0.981 175.065 176.000 0.078 0.000 1.077 222 Q CA -0.979 54.863 55.803 0.065 0.000 0.820 222 Q CB 2.191 30.975 28.738 0.077 0.000 1.347 222 Q HN 0.592 nan 8.270 nan 0.000 0.444 223 K N 2.039 122.500 120.400 0.102 0.000 2.118 223 K HA 0.387 4.726 4.320 0.032 0.000 0.264 223 K C -0.568 176.154 176.600 0.202 0.000 1.000 223 K CA -0.603 55.790 56.287 0.177 0.000 0.929 223 K CB 1.055 33.743 32.500 0.314 0.000 1.021 223 K HN 0.509 nan 8.250 nan 0.000 0.463 224 E N 1.270 121.487 120.200 0.029 0.000 2.393 224 E HA 0.342 4.711 4.350 0.032 0.000 0.273 224 E C -2.560 173.662 176.600 -0.629 0.000 0.918 224 E CA -2.169 54.145 56.400 -0.143 0.000 0.773 224 E CB 1.717 31.372 29.700 -0.075 0.000 1.275 224 E HN 0.303 nan 8.360 nan 0.000 0.451 225 P HA 0.072 nan 4.420 nan 0.000 0.269 225 P C -2.364 174.734 177.300 -0.337 0.000 1.211 225 P CA -0.500 62.190 63.100 -0.683 0.000 0.781 225 P CB -0.277 31.281 31.700 -0.236 0.000 0.877 226 P HA 0.264 nan 4.420 nan 0.000 0.276 226 P C -1.008 176.202 177.300 -0.150 0.000 1.252 226 P CA -0.005 63.136 63.100 0.069 0.000 0.802 226 P CB 0.398 32.310 31.700 0.353 0.000 1.035 227 F N 0.332 120.414 119.950 0.220 0.000 2.458 227 F HA 0.276 4.822 4.527 0.031 0.000 0.336 227 F C 0.179 176.104 175.800 0.208 0.000 1.114 227 F CA -0.747 57.375 58.000 0.203 0.000 0.987 227 F CB 0.987 40.104 39.000 0.195 0.000 1.130 227 F HN 0.039 nan 8.300 nan 0.000 0.458 228 L N 4.129 125.609 121.223 0.428 0.000 2.312 228 L HA 0.083 4.441 4.340 0.032 0.000 0.287 228 L C -1.343 175.754 176.870 0.377 0.000 1.091 228 L CA -0.043 54.990 54.840 0.322 0.000 0.846 228 L CB -0.124 42.069 42.059 0.223 0.000 1.219 228 L HN 0.804 nan 8.230 nan 0.000 0.439 229 W N 7.971 129.329 121.300 0.097 0.000 2.443 229 W HA 0.414 5.092 4.660 0.031 0.000 0.303 229 W C -0.105 176.411 176.519 -0.005 0.000 0.991 229 W CA -1.003 56.322 57.345 -0.033 0.000 1.522 229 W CB 0.402 29.758 29.460 -0.175 0.000 1.315 229 W HN 0.540 nan 8.180 nan 0.000 0.419 230 M N 5.955 125.483 119.600 -0.120 0.000 3.707 230 M HA -0.244 4.255 4.480 0.032 0.000 0.160 230 M C 1.239 177.553 176.300 0.024 0.000 1.476 230 M CA 1.788 56.986 55.300 -0.170 0.000 0.992 230 M CB -1.536 30.801 32.600 -0.438 0.000 1.319 230 M HN 0.921 nan 8.290 nan 0.000 0.450 231 G N -0.287 108.553 108.800 0.067 0.000 2.358 231 G HA2 -0.271 3.708 3.960 0.032 0.000 0.224 231 G HA3 -0.271 3.708 3.960 0.032 0.000 0.224 231 G C -0.318 174.646 174.900 0.107 0.000 1.073 231 G CA 0.132 45.272 45.100 0.068 0.000 0.635 231 G HN 0.644 nan 8.290 nan 0.000 0.509 232 Y N 0.785 121.146 120.300 0.101 0.000 2.534 232 Y HA 0.730 5.299 4.550 0.031 0.000 0.329 232 Y C 0.494 176.490 175.900 0.159 0.000 1.154 232 Y CA -1.241 56.953 58.100 0.155 0.000 1.192 232 Y CB 1.261 39.828 38.460 0.178 0.000 1.275 232 Y HN 0.126 nan 8.280 nan 0.000 0.491 233 E N 1.790 122.181 120.200 0.318 0.000 2.149 233 E HA 0.319 4.688 4.350 0.032 0.000 0.255 233 E C -1.734 174.947 176.600 0.134 0.000 0.888 233 E CA -0.689 55.823 56.400 0.187 0.000 0.742 233 E CB 0.592 30.346 29.700 0.090 0.000 1.164 233 E HN 0.374 nan 8.360 nan 0.000 0.422 234 L N 4.639 126.002 121.223 0.233 0.000 2.265 234 L HA 0.320 4.679 4.340 0.032 0.000 0.288 234 L C -0.290 176.763 176.870 0.305 0.000 1.058 234 L CA -0.169 54.831 54.840 0.267 0.000 0.809 234 L CB 0.546 42.769 42.059 0.274 0.000 1.179 234 L HN 0.573 nan 8.230 nan 0.000 0.429 235 H N 4.291 123.552 119.070 0.319 0.000 2.616 235 H HA 0.293 4.868 4.556 0.032 0.000 0.353 235 H C -1.605 173.919 175.328 0.327 0.000 1.170 235 H CA -1.944 54.242 56.048 0.229 0.000 1.212 235 H CB 1.315 31.167 29.762 0.149 0.000 1.653 235 H HN 0.384 nan 8.280 nan 0.000 0.537 236 P HA -0.176 nan 4.420 nan 0.000 0.219 236 P C 0.771 178.255 177.300 0.307 0.000 1.146 236 P CA 1.392 64.628 63.100 0.227 0.000 0.808 236 P CB 0.279 32.051 31.700 0.120 0.000 0.779 237 D N -1.528 119.090 120.400 0.363 0.000 2.407 237 D HA 0.029 4.688 4.640 0.032 0.000 0.208 237 D C 0.461 176.953 176.300 0.320 0.000 1.083 237 D CA 0.315 54.514 54.000 0.331 0.000 0.844 237 D CB 0.297 41.197 40.800 0.166 0.000 0.967 237 D HN 0.248 nan 8.370 nan 0.000 0.506 238 K N -0.617 119.946 120.400 0.272 0.000 2.610 238 K HA 0.330 4.669 4.320 0.032 0.000 0.278 238 K C -1.344 175.117 176.600 -0.230 0.000 0.964 238 K CA -1.022 55.150 56.287 -0.192 0.000 0.859 238 K CB 0.998 33.421 32.500 -0.128 0.000 1.434 238 K HN 0.064 nan 8.250 nan 0.000 0.410 239 W N 0.578 121.616 121.300 -0.438 0.000 2.719 239 W HA 0.723 5.401 4.660 0.030 0.000 0.352 239 W C -1.388 175.062 176.519 -0.115 0.000 1.085 239 W CA -1.040 56.160 57.345 -0.242 0.000 1.187 239 W CB 1.376 30.731 29.460 -0.175 0.000 1.417 239 W HN 0.486 nan 8.180 nan 0.000 0.557 240 T N 1.217 115.822 114.554 0.085 0.000 2.909 240 T HA 0.361 4.730 4.350 0.032 0.000 0.299 240 T C -0.804 173.969 174.700 0.122 0.000 1.073 240 T CA -0.504 61.588 62.100 -0.013 0.000 0.999 240 T CB 2.183 70.995 68.868 -0.093 0.000 1.098 240 T HN 0.291 nan 8.240 nan 0.000 0.477 241 V N 3.684 123.603 119.914 0.008 0.000 2.427 241 V HA 0.309 4.448 4.120 0.032 0.000 0.268 241 V C 0.721 176.804 176.094 -0.018 0.000 1.046 241 V CA -0.631 61.642 62.300 -0.045 0.000 0.970 241 V CB 0.643 32.407 31.823 -0.099 0.000 1.001 241 V HN 0.843 nan 8.190 nan 0.000 0.476 242 Q N 7.135 126.927 119.800 -0.014 0.000 2.361 242 Q HA 0.152 4.511 4.340 0.032 0.000 0.276 242 Q C -1.925 174.066 176.000 -0.015 0.000 1.022 242 Q CA -1.359 54.444 55.803 -0.000 0.000 0.898 242 Q CB 0.750 29.489 28.738 0.002 0.000 1.246 242 Q HN 0.627 nan 8.270 nan 0.000 0.410 243 P HA -0.121 nan 4.420 nan 0.000 0.259 243 P C -0.832 176.451 177.300 -0.028 0.000 1.155 243 P CA 0.928 64.028 63.100 -0.000 0.000 0.759 243 P CB 0.136 31.836 31.700 -0.000 0.000 0.753 244 I N 4.184 124.748 120.570 -0.009 0.000 2.428 244 I HA 0.146 4.335 4.170 0.032 0.000 0.279 244 I C -0.615 175.487 176.117 -0.025 0.000 1.040 244 I CA -0.973 60.308 61.300 -0.031 0.000 1.171 244 I CB 0.959 38.965 38.000 0.010 0.000 1.312 244 I HN -0.046 nan 8.210 nan 0.000 0.470 245 V N 8.270 128.167 119.914 -0.029 0.000 2.368 245 V HA 0.234 4.373 4.120 0.032 0.000 0.266 245 V C 0.321 176.415 176.094 -0.001 0.000 1.045 245 V CA -0.358 61.933 62.300 -0.016 0.000 0.899 245 V CB 1.011 32.824 31.823 -0.017 0.000 1.006 245 V HN 0.532 nan 8.190 nan 0.000 0.470 246 L N 8.639 129.869 121.223 0.012 0.000 2.278 246 L HA 0.372 4.731 4.340 0.032 0.000 0.287 246 L C -1.708 175.200 176.870 0.065 0.000 1.072 246 L CA -1.569 53.302 54.840 0.052 0.000 0.819 246 L CB 1.198 43.287 42.059 0.051 0.000 1.176 246 L HN 0.462 nan 8.230 nan 0.000 0.435 247 P HA 0.028 nan 4.420 nan 0.000 0.266 247 P C -0.563 176.762 177.300 0.042 0.000 1.215 247 P CA -0.285 62.827 63.100 0.020 0.000 0.763 247 P CB 0.948 32.628 31.700 -0.033 0.000 0.806 248 E N 4.000 124.207 120.200 0.011 0.000 2.290 248 E HA 0.225 4.594 4.350 0.032 0.000 0.277 248 E C -0.131 176.418 176.600 -0.085 0.000 1.035 248 E CA -0.259 56.159 56.400 0.030 0.000 0.873 248 E CB 0.470 30.180 29.700 0.018 0.000 1.029 248 E HN 0.468 nan 8.360 nan 0.000 0.419 249 K N 2.990 123.300 120.400 -0.150 0.000 2.509 249 K HA 0.361 4.700 4.320 0.032 0.000 0.266 249 K C -0.562 175.858 176.600 -0.300 0.000 0.987 249 K CA -0.707 55.365 56.287 -0.359 0.000 0.868 249 K CB 1.285 33.363 32.500 -0.702 0.000 1.421 249 K HN 0.194 nan 8.250 nan 0.000 0.444 250 D N 0.816 121.056 120.400 -0.267 0.000 2.083 250 D HA -0.089 4.570 4.640 0.032 0.000 0.199 250 D C 0.230 176.449 176.300 -0.135 0.000 0.980 250 D CA 1.712 55.622 54.000 -0.150 0.000 0.851 250 D CB -0.132 40.598 40.800 -0.117 0.000 0.997 250 D HN 0.616 nan 8.370 nan 0.000 0.449 251 S N -1.221 114.366 115.700 -0.189 0.000 2.472 251 S HA 0.541 5.030 4.470 0.032 0.000 0.303 251 S C -1.181 173.344 174.600 -0.125 0.000 1.099 251 S CA -0.942 57.213 58.200 -0.075 0.000 1.077 251 S CB 1.119 64.302 63.200 -0.029 0.000 1.031 251 S HN 0.222 nan 8.310 nan 0.000 0.487 252 W N 1.988 123.285 121.300 -0.005 0.000 2.475 252 W HA 0.488 5.168 4.660 0.033 0.000 0.317 252 W C 0.749 177.266 176.519 -0.003 0.000 1.046 252 W CA -0.565 56.777 57.345 -0.005 0.000 1.215 252 W CB 2.013 31.470 29.460 -0.005 0.000 1.335 252 W HN 0.886 nan 8.180 nan 0.000 0.471 253 T N -0.878 113.867 114.554 0.320 0.000 2.902 253 T HA 0.228 4.597 4.350 0.032 0.000 0.280 253 T C 0.881 175.680 174.700 0.166 0.000 0.992 253 T CA -0.720 61.489 62.100 0.182 0.000 1.015 253 T CB 1.348 70.283 68.868 0.112 0.000 1.044 253 T HN 0.224 nan 8.240 nan 0.000 0.520 254 V N 1.935 121.906 119.914 0.094 0.000 2.255 254 V HA -0.185 3.954 4.120 0.032 0.000 0.247 254 V C 2.937 179.067 176.094 0.061 0.000 1.051 254 V CA 2.271 64.605 62.300 0.057 0.000 1.018 254 V CB -1.347 30.498 31.823 0.037 0.000 0.641 254 V HN 0.974 nan 8.190 nan 0.000 0.445 255 N N 0.794 119.536 118.700 0.069 0.000 2.021 255 N HA -0.236 4.523 4.740 0.032 0.000 0.198 255 N C 1.579 177.147 175.510 0.097 0.000 1.041 255 N CA 2.208 55.298 53.050 0.067 0.000 0.862 255 N CB -0.601 37.922 38.487 0.060 0.000 1.048 255 N HN 0.470 nan 8.380 nan 0.000 0.427 256 D N 0.236 120.731 120.400 0.159 0.000 2.149 256 D HA -0.167 4.492 4.640 0.032 0.000 0.194 256 D C 1.976 178.410 176.300 0.223 0.000 1.001 256 D CA 0.782 54.946 54.000 0.274 0.000 0.849 256 D CB -0.233 40.858 40.800 0.485 0.000 0.939 256 D HN 0.362 nan 8.370 nan 0.000 0.449 257 I N 1.157 121.784 120.570 0.096 0.000 2.315 257 I HA -0.205 3.984 4.170 0.032 0.000 0.248 257 I C 2.373 178.463 176.117 -0.044 0.000 1.117 257 I CA 0.957 62.202 61.300 -0.092 0.000 1.404 257 I CB -0.926 36.997 38.000 -0.129 0.000 1.071 257 I HN 0.143 nan 8.210 nan 0.000 0.419 258 Q N 1.283 121.087 119.800 0.006 0.000 2.030 258 Q HA -0.231 4.128 4.340 0.032 0.000 0.204 258 Q C 2.187 178.200 176.000 0.022 0.000 0.986 258 Q CA 1.576 57.386 55.803 0.011 0.000 0.843 258 Q CB -0.366 28.386 28.738 0.024 0.000 0.904 258 Q HN 0.554 nan 8.270 nan 0.000 0.420 259 K N 0.548 120.975 120.400 0.044 0.000 2.097 259 K HA -0.154 4.184 4.320 0.032 0.000 0.206 259 K C 2.111 178.739 176.600 0.048 0.000 1.049 259 K CA 0.945 57.263 56.287 0.051 0.000 0.933 259 K CB -0.235 32.307 32.500 0.069 0.000 0.717 259 K HN 0.032 nan 8.250 nan 0.000 0.442 260 L N 1.052 122.302 121.223 0.044 0.000 1.994 260 L HA -0.150 4.209 4.340 0.032 0.000 0.208 260 L C 1.993 178.856 176.870 -0.011 0.000 1.071 260 L CA 1.560 56.408 54.840 0.013 0.000 0.745 260 L CB -0.306 41.695 42.059 -0.097 0.000 0.892 260 L HN -0.072 nan 8.230 nan 0.000 0.431 261 V N 0.115 120.011 119.914 -0.030 0.000 2.594 261 V HA -0.136 4.003 4.120 0.032 0.000 0.253 261 V C 2.602 178.713 176.094 0.028 0.000 1.069 261 V CA 1.410 63.700 62.300 -0.016 0.000 1.082 261 V CB -1.965 29.841 31.823 -0.029 0.000 0.680 261 V HN 0.607 nan 8.190 nan 0.000 0.469 262 G N 0.255 109.078 108.800 0.038 0.000 2.511 262 G HA2 -0.276 3.703 3.960 0.032 0.000 0.216 262 G HA3 -0.276 3.703 3.960 0.032 0.000 0.216 262 G C 1.605 176.566 174.900 0.102 0.000 1.218 262 G CA 1.079 46.219 45.100 0.066 0.000 0.788 262 G HN 0.395 nan 8.290 nan 0.000 0.560 263 K N -0.081 120.365 120.400 0.077 0.000 2.044 263 K HA 0.030 4.369 4.320 0.032 0.000 0.210 263 K C 2.470 179.160 176.600 0.150 0.000 1.049 263 K CA 0.531 56.870 56.287 0.087 0.000 0.927 263 K CB -0.687 31.828 32.500 0.025 0.000 0.713 263 K HN 0.163 nan 8.250 nan 0.000 0.443 264 L N 0.844 122.125 121.223 0.097 0.000 2.079 264 L HA -0.193 4.166 4.340 0.032 0.000 0.210 264 L C 1.886 178.832 176.870 0.126 0.000 1.081 264 L CA 1.720 56.615 54.840 0.091 0.000 0.752 264 L CB -1.176 40.901 42.059 0.029 0.000 0.896 264 L HN 0.324 nan 8.230 nan 0.000 0.433 265 N N -1.191 117.583 118.700 0.123 0.000 2.216 265 N HA -0.240 4.519 4.740 0.032 0.000 0.183 265 N C 1.829 177.428 175.510 0.148 0.000 1.017 265 N CA 1.157 54.272 53.050 0.109 0.000 0.861 265 N CB -0.225 38.314 38.487 0.086 0.000 0.986 265 N HN 0.339 nan 8.380 nan 0.000 0.428 266 W N 1.312 122.626 121.300 0.024 0.000 2.355 266 W HA -0.144 4.536 4.660 0.033 0.000 0.309 266 W C 2.228 178.767 176.519 0.034 0.000 1.206 266 W CA 1.985 59.345 57.345 0.025 0.000 1.284 266 W CB -0.468 29.002 29.460 0.018 0.000 1.145 266 W HN 0.096 nan 8.180 nan 0.000 0.502 267 A N 0.672 123.846 122.820 0.591 0.000 1.892 267 A HA -0.347 3.992 4.320 0.032 0.000 0.218 267 A C 2.036 179.753 177.584 0.222 0.000 1.188 267 A CA 3.147 55.498 52.037 0.522 0.000 0.631 267 A CB -1.719 17.540 19.000 0.433 0.000 0.822 267 A HN 0.496 nan 8.150 nan 0.000 0.447 268 S N -0.753 115.015 115.700 0.115 0.000 2.462 268 S HA -0.260 4.229 4.470 0.032 0.000 0.243 268 S C 1.756 176.309 174.600 -0.078 0.000 1.003 268 S CA 1.457 59.680 58.200 0.038 0.000 0.970 268 S CB -0.462 62.746 63.200 0.013 0.000 0.762 268 S HN 0.600 nan 8.310 nan 0.000 0.510 269 Q N 0.931 120.613 119.800 -0.196 0.000 2.050 269 Q HA 0.006 4.365 4.340 0.032 0.000 0.202 269 Q C 2.343 178.166 176.000 -0.296 0.000 0.980 269 Q CA 1.592 57.214 55.803 -0.302 0.000 0.840 269 Q CB -0.601 27.877 28.738 -0.433 0.000 0.898 269 Q HN 0.781 nan 8.270 nan 0.000 0.424 270 I N -1.959 118.430 120.570 -0.302 0.000 2.400 270 I HA -0.123 4.066 4.170 0.032 0.000 0.248 270 I C 0.218 176.161 176.117 -0.290 0.000 1.109 270 I CA 0.982 62.079 61.300 -0.338 0.000 1.425 270 I CB -0.014 37.713 38.000 -0.456 0.000 1.094 270 I HN -0.064 nan 8.210 nan 0.000 0.425 271 Y N 2.654 122.912 120.300 -0.070 0.000 2.921 271 Y HA 0.560 5.128 4.550 0.030 0.000 0.346 271 Y C -2.332 173.533 175.900 -0.058 0.000 1.182 271 Y CA -3.198 54.874 58.100 -0.048 0.000 1.319 271 Y CB -0.684 37.767 38.460 -0.015 0.000 1.403 271 Y HN 0.118 nan 8.280 nan 0.000 0.554 272 P HA 0.271 nan 4.420 nan 0.000 0.272 272 P C 1.005 178.322 177.300 0.027 0.000 1.223 272 P CA 0.914 64.019 63.100 0.008 0.000 0.784 272 P CB 1.257 32.928 31.700 -0.048 0.000 0.923 273 G N 1.627 110.434 108.800 0.011 0.000 2.541 273 G HA2 -0.160 3.819 3.960 0.032 0.000 0.201 273 G HA3 -0.160 3.819 3.960 0.032 0.000 0.201 273 G C 0.171 175.069 174.900 -0.003 0.000 1.026 273 G CA -0.524 44.578 45.100 0.003 0.000 0.687 273 G HN 0.434 nan 8.290 nan 0.000 0.492 274 I N 1.749 122.323 120.570 0.007 0.000 2.880 274 I HA 0.242 4.431 4.170 0.032 0.000 0.296 274 I C 0.593 176.705 176.117 -0.008 0.000 1.220 274 I CA 1.126 62.421 61.300 -0.008 0.000 1.435 274 I CB 0.699 38.709 38.000 0.016 0.000 1.339 274 I HN 0.251 nan 8.210 nan 0.000 0.583 275 K N 3.540 123.929 120.400 -0.019 0.000 2.512 275 K HA 0.519 4.858 4.320 0.032 0.000 0.263 275 K C -0.113 176.471 176.600 -0.027 0.000 0.966 275 K CA -0.570 55.706 56.287 -0.019 0.000 0.851 275 K CB 2.678 35.164 32.500 -0.023 0.000 1.395 275 K HN 0.397 nan 8.250 nan 0.000 0.440 276 V N -2.095 117.804 119.914 -0.026 0.000 3.440 276 V HA 0.227 4.366 4.120 0.032 0.000 0.301 276 V C 1.429 177.501 176.094 -0.038 0.000 1.555 276 V CA -0.215 62.063 62.300 -0.036 0.000 1.095 276 V CB 0.357 32.163 31.823 -0.029 0.000 0.936 276 V HN 0.757 nan 8.190 nan 0.000 0.452 277 R N 0.636 121.118 120.500 -0.030 0.000 2.112 277 R HA -0.257 4.102 4.340 0.032 0.000 0.242 277 R C 2.224 178.502 176.300 -0.036 0.000 1.137 277 R CA 2.858 58.941 56.100 -0.028 0.000 0.944 277 R CB -0.088 30.198 30.300 -0.024 0.000 0.857 277 R HN 0.565 nan 8.270 nan 0.000 0.435 278 Q N -0.203 119.571 119.800 -0.043 0.000 2.172 278 Q HA 0.012 4.371 4.340 0.032 0.000 0.200 278 Q C 0.277 176.235 176.000 -0.069 0.000 0.964 278 Q CA 0.581 56.354 55.803 -0.050 0.000 0.855 278 Q CB -0.056 28.653 28.738 -0.048 0.000 0.918 278 Q HN 0.105 nan 8.270 nan 0.000 0.444 282 L N 2.116 123.307 121.223 -0.053 0.000 2.450 282 L HA -0.121 4.238 4.340 0.032 0.000 0.225 282 L C 1.842 178.691 176.870 -0.035 0.000 1.145 282 L CA 1.397 56.206 54.840 -0.051 0.000 0.801 282 L CB -0.934 41.074 42.059 -0.085 0.000 0.924 282 L HN 0.209 nan 8.230 nan 0.000 0.447 283 L N -0.523 120.681 121.223 -0.032 0.000 2.127 283 L HA 0.032 4.391 4.340 0.032 0.000 0.203 283 L C 1.299 178.163 176.870 -0.009 0.000 1.080 283 L CA 0.600 55.429 54.840 -0.018 0.000 0.768 283 L CB -0.672 41.376 42.059 -0.019 0.000 0.924 283 L HN 0.177 nan 8.230 nan 0.000 0.444 284 R N 0.364 120.858 120.500 -0.011 0.000 2.489 284 R HA 0.062 4.421 4.340 0.032 0.000 0.287 284 R C 1.294 177.592 176.300 -0.003 0.000 0.902 284 R CA 0.870 56.966 56.100 -0.006 0.000 1.136 284 R CB -0.634 29.661 30.300 -0.008 0.000 0.872 284 R HN 0.481 nan 8.270 nan 0.000 0.421 285 G N 2.002 110.803 108.800 0.000 0.000 2.168 285 G HA2 -0.364 3.615 3.960 0.032 0.000 0.263 285 G HA3 -0.364 3.615 3.960 0.032 0.000 0.263 285 G C 0.291 175.194 174.900 0.005 0.000 0.977 285 G CA 0.588 45.690 45.100 0.003 0.000 0.659 285 G HN 0.790 nan 8.290 nan 0.000 0.533 286 T N -0.494 114.064 114.554 0.006 0.000 2.822 286 T HA 0.357 4.726 4.350 0.032 0.000 0.288 286 T C 1.488 176.194 174.700 0.011 0.000 0.991 286 T CA 0.762 62.868 62.100 0.009 0.000 1.176 286 T CB 1.381 70.255 68.868 0.010 0.000 0.951 286 T HN 0.794 nan 8.240 nan 0.000 0.526 287 K N 1.954 122.361 120.400 0.013 0.000 2.243 287 K HA 0.362 4.701 4.320 0.032 0.000 0.201 287 K C 0.699 177.307 176.600 0.014 0.000 1.051 287 K CA 0.271 56.565 56.287 0.012 0.000 0.970 287 K CB 0.312 32.819 32.500 0.012 0.000 0.755 287 K HN 0.718 nan 8.250 nan 0.000 0.465 288 A N 0.434 123.265 122.820 0.017 0.000 2.566 288 A HA 0.453 4.792 4.320 0.032 0.000 0.292 288 A C -0.102 177.495 177.584 0.023 0.000 1.112 288 A CA -0.757 51.291 52.037 0.019 0.000 0.707 288 A CB 1.233 20.244 19.000 0.018 0.000 1.302 288 A HN 0.071 nan 8.150 nan 0.000 0.409 289 L N 0.595 121.832 121.223 0.024 0.000 2.313 289 L HA 0.059 4.418 4.340 0.032 0.000 0.214 289 L C 2.015 178.907 176.870 0.036 0.000 1.119 289 L CA 2.697 57.555 54.840 0.029 0.000 0.809 289 L CB -0.218 41.857 42.059 0.027 0.000 0.933 289 L HN 0.876 nan 8.230 nan 0.000 0.449 290 T N -2.985 111.588 114.554 0.031 0.000 3.243 290 T HA 0.205 4.574 4.350 0.032 0.000 0.264 290 T C 0.322 175.042 174.700 0.034 0.000 1.000 290 T CA -0.572 61.548 62.100 0.033 0.000 0.901 290 T CB -0.586 68.296 68.868 0.024 0.000 1.083 290 T HN 0.443 nan 8.240 nan 0.000 0.559 291 E N 1.213 121.435 120.200 0.036 0.000 2.249 291 E HA 0.469 4.838 4.350 0.032 0.000 0.280 291 E C 0.125 176.754 176.600 0.048 0.000 1.016 291 E CA -1.177 55.243 56.400 0.034 0.000 0.830 291 E CB 1.510 31.227 29.700 0.028 0.000 1.081 291 E HN 0.224 nan 8.360 nan 0.000 0.395 292 V N 1.943 121.886 119.914 0.049 0.000 2.649 292 V HA 0.465 4.604 4.120 0.032 0.000 0.292 292 V C -0.336 175.799 176.094 0.068 0.000 1.055 292 V CA -0.583 61.759 62.300 0.070 0.000 1.023 292 V CB 0.501 32.360 31.823 0.060 0.000 0.992 292 V HN 0.675 nan 8.190 nan 0.000 0.480 293 I N 6.181 126.807 120.570 0.094 0.000 2.530 293 I HA 0.569 4.758 4.170 0.032 0.000 0.297 293 I C -2.169 173.996 176.117 0.079 0.000 1.011 293 I CA -2.040 59.300 61.300 0.067 0.000 1.107 293 I CB 2.403 40.427 38.000 0.040 0.000 1.285 293 I HN 0.658 nan 8.210 nan 0.000 0.436 294 P HA 0.225 nan 4.420 nan 0.000 0.287 294 P C -0.665 176.653 177.300 0.030 0.000 1.294 294 P CA -0.416 62.713 63.100 0.049 0.000 0.776 294 P CB 0.899 32.617 31.700 0.031 0.000 0.889 295 L N 3.639 124.889 121.223 0.045 0.000 2.600 295 L HA 0.058 4.417 4.340 0.032 0.000 0.278 295 L C 1.423 178.291 176.870 -0.003 0.000 1.139 295 L CA 0.266 55.107 54.840 0.003 0.000 0.933 295 L CB -0.106 41.970 42.059 0.029 0.000 1.266 295 L HN 0.486 nan 8.230 nan 0.000 0.471 296 T N 1.198 115.740 114.554 -0.019 0.000 2.939 296 T HA -0.066 4.303 4.350 0.032 0.000 0.319 296 T C 1.329 176.020 174.700 -0.015 0.000 1.082 296 T CA 0.289 62.380 62.100 -0.015 0.000 1.133 296 T CB 0.685 69.540 68.868 -0.021 0.000 1.019 296 T HN 0.818 nan 8.240 nan 0.000 0.548 297 E N 1.753 121.948 120.200 -0.007 0.000 2.333 297 E HA -0.169 4.200 4.350 0.032 0.000 0.198 297 E C 1.501 178.093 176.600 -0.014 0.000 1.007 297 E CA 1.279 57.676 56.400 -0.006 0.000 0.845 297 E CB -0.085 29.614 29.700 -0.002 0.000 0.766 297 E HN 0.776 nan 8.360 nan 0.000 0.507 298 E N 0.643 120.832 120.200 -0.019 0.000 2.150 298 E HA -0.025 4.344 4.350 0.032 0.000 0.193 298 E C 1.877 178.457 176.600 -0.034 0.000 0.985 298 E CA 1.314 57.700 56.400 -0.023 0.000 0.814 298 E CB -0.216 29.470 29.700 -0.024 0.000 0.752 298 E HN 0.482 nan 8.360 nan 0.000 0.466 299 A N 0.727 123.522 122.820 -0.042 0.000 2.016 299 A HA -0.105 4.234 4.320 0.032 0.000 0.217 299 A C 1.826 179.375 177.584 -0.058 0.000 1.162 299 A CA 0.916 52.913 52.037 -0.066 0.000 0.662 299 A CB -0.136 18.809 19.000 -0.090 0.000 0.812 299 A HN 0.030 nan 8.150 nan 0.000 0.450 300 E N 0.140 120.322 120.200 -0.029 0.000 2.046 300 E HA -0.078 4.290 4.350 0.032 0.000 0.190 300 E C 1.952 178.545 176.600 -0.011 0.000 0.982 300 E CA 0.607 57.003 56.400 -0.007 0.000 0.800 300 E CB -0.367 29.338 29.700 0.009 0.000 0.756 300 E HN 0.441 nan 8.360 nan 0.000 0.449 301 L N 1.030 122.245 121.223 -0.015 0.000 2.191 301 L HA -0.136 4.222 4.340 0.032 0.000 0.212 301 L C 2.306 179.162 176.870 -0.023 0.000 1.103 301 L CA 1.421 56.252 54.840 -0.015 0.000 0.769 301 L CB -0.653 41.397 42.059 -0.015 0.000 0.908 301 L HN 0.258 nan 8.230 nan 0.000 0.438 302 E N 0.058 120.239 120.200 -0.032 0.000 2.057 302 E HA -0.135 4.234 4.350 0.032 0.000 0.190 302 E C 2.433 179.006 176.600 -0.044 0.000 0.969 302 E CA 0.139 56.515 56.400 -0.040 0.000 0.812 302 E CB 0.126 29.797 29.700 -0.048 0.000 0.777 302 E HN 0.314 nan 8.360 nan 0.000 0.455 303 L N 0.838 122.030 121.223 -0.052 0.000 2.129 303 L HA -0.244 4.115 4.340 0.032 0.000 0.212 303 L C 2.477 179.335 176.870 -0.021 0.000 1.087 303 L CA 1.359 56.171 54.840 -0.046 0.000 0.757 303 L CB -0.363 41.671 42.059 -0.041 0.000 0.896 303 L HN 0.278 nan 8.230 nan 0.000 0.434 304 A N -0.430 122.381 122.820 -0.015 0.000 1.832 304 A HA -0.293 4.046 4.320 0.032 0.000 0.214 304 A C 2.108 179.678 177.584 -0.024 0.000 1.200 304 A CA 1.712 53.742 52.037 -0.011 0.000 0.610 304 A CB -0.736 18.260 19.000 -0.007 0.000 0.842 304 A HN 0.485 nan 8.150 nan 0.000 0.444 305 E N -0.315 119.868 120.200 -0.029 0.000 2.393 305 E HA -0.223 4.146 4.350 0.032 0.000 0.201 305 E C 1.115 177.683 176.600 -0.053 0.000 1.025 305 E CA 1.225 57.604 56.400 -0.035 0.000 0.856 305 E CB -0.072 29.609 29.700 -0.031 0.000 0.771 305 E HN 0.569 nan 8.360 nan 0.000 0.526 306 N N -0.167 118.498 118.700 -0.058 0.000 2.409 306 N HA 0.019 4.778 4.740 0.032 0.000 0.174 306 N C 1.303 176.750 175.510 -0.106 0.000 1.037 306 N CA 0.389 53.388 53.050 -0.085 0.000 0.898 306 N CB 0.013 38.458 38.487 -0.070 0.000 1.010 306 N HN 0.125 nan 8.380 nan 0.000 0.445 307 R N 0.778 121.236 120.500 -0.070 0.000 2.148 307 R HA 0.025 4.384 4.340 0.032 0.000 0.227 307 R C 1.517 177.766 176.300 -0.085 0.000 1.103 307 R CA 0.748 56.808 56.100 -0.067 0.000 0.983 307 R CB 0.099 30.381 30.300 -0.030 0.000 0.874 307 R HN 0.167 nan 8.270 nan 0.000 0.451 308 E N 0.702 120.856 120.200 -0.077 0.000 2.072 308 E HA -0.106 4.263 4.350 0.032 0.000 0.190 308 E C 2.018 178.556 176.600 -0.104 0.000 0.982 308 E CA 0.717 57.074 56.400 -0.071 0.000 0.803 308 E CB 0.022 29.693 29.700 -0.048 0.000 0.755 308 E HN 0.204 nan 8.360 nan 0.000 0.453 309 I N 1.121 121.603 120.570 -0.146 0.000 2.142 309 I HA -0.238 3.951 4.170 0.032 0.000 0.240 309 I C 2.050 177.920 176.117 -0.413 0.000 1.078 309 I CA 0.995 62.168 61.300 -0.211 0.000 1.343 309 I CB -0.625 37.252 38.000 -0.205 0.000 1.046 309 I HN 0.104 nan 8.210 nan 0.000 0.405 310 L N 0.322 121.247 121.223 -0.498 0.000 2.737 310 L HA -0.140 4.219 4.340 0.032 0.000 0.246 310 L C 1.947 178.692 176.870 -0.208 0.000 1.153 310 L CA 0.274 54.792 54.840 -0.537 0.000 0.920 310 L CB -0.568 41.284 42.059 -0.345 0.000 1.090 310 L HN 0.196 nan 8.230 nan 0.000 0.430 311 K N 0.945 121.262 120.400 -0.138 0.000 2.102 311 K HA -0.007 4.332 4.320 0.032 0.000 0.208 311 K C 0.703 177.294 176.600 -0.015 0.000 1.027 311 K CA 0.179 56.432 56.287 -0.056 0.000 0.958 311 K CB 0.228 32.702 32.500 -0.044 0.000 0.819 311 K HN 0.028 nan 8.250 nan 0.000 0.453 312 E N 3.157 123.357 120.200 -0.001 0.000 2.603 312 E HA -0.033 4.335 4.350 0.032 0.000 0.242 312 E C -2.220 174.422 176.600 0.070 0.000 1.083 312 E CA -1.325 55.095 56.400 0.032 0.000 0.950 312 E CB 0.370 30.098 29.700 0.048 0.000 0.952 312 E HN 0.145 nan 8.360 nan 0.000 0.498 313 P HA 0.033 nan 4.420 nan 0.000 0.274 313 P C -0.901 176.250 177.300 -0.247 0.000 1.256 313 P CA -0.285 62.778 63.100 -0.062 0.000 0.795 313 P CB 0.995 32.625 31.700 -0.116 0.000 1.038 314 V N 1.601 121.322 119.914 -0.321 0.000 2.588 314 V HA 0.406 4.545 4.120 0.032 0.000 0.304 314 V C 0.033 175.806 176.094 -0.535 0.000 1.042 314 V CA -0.593 61.446 62.300 -0.435 0.000 0.877 314 V CB 1.334 32.965 31.823 -0.319 0.000 0.996 314 V HN 0.684 nan 8.190 nan 0.000 0.425 315 H N 2.291 121.184 119.070 -0.295 0.000 2.600 315 H HA 0.795 5.370 4.556 0.031 0.000 0.357 315 H C 0.016 174.879 175.328 -0.775 0.000 1.106 315 H CA -0.631 55.104 56.048 -0.522 0.000 1.193 315 H CB 2.650 32.197 29.762 -0.358 0.000 1.594 315 H HN 0.796 nan 8.280 nan 0.000 0.526 316 G N 0.826 108.709 108.800 -1.528 0.000 2.887 316 G HA2 0.499 4.478 3.960 0.032 0.000 0.277 316 G HA3 0.499 4.478 3.960 0.032 0.000 0.277 316 G C -1.087 173.113 174.900 -1.167 0.000 1.346 316 G CA -0.617 43.565 45.100 -1.530 0.000 1.058 316 G HN 0.455 nan 8.290 nan 0.000 0.535 317 V N -0.850 118.911 119.914 -0.254 0.000 3.001 317 V HA 0.591 4.730 4.120 0.032 0.000 0.314 317 V C -1.079 175.286 176.094 0.452 0.000 1.099 317 V CA -0.785 61.507 62.300 -0.014 0.000 0.989 317 V CB 1.941 33.787 31.823 0.038 0.000 1.040 317 V HN 0.588 nan 8.190 nan 0.000 0.434 318 Y N 1.582 122.149 120.300 0.444 0.000 2.340 318 Y HA 0.388 4.957 4.550 0.032 0.000 0.327 318 Y C -0.071 176.025 175.900 0.327 0.000 1.321 318 Y CA -0.353 57.989 58.100 0.403 0.000 1.433 318 Y CB 0.315 38.944 38.460 0.282 0.000 1.373 318 Y HN 0.597 nan 8.280 nan 0.000 0.538 319 Y N 1.753 122.278 120.300 0.375 0.000 2.319 319 Y HA 0.242 4.810 4.550 0.031 0.000 0.328 319 Y C -0.534 175.437 175.900 0.119 0.000 1.133 319 Y CA -1.262 56.954 58.100 0.194 0.000 1.265 319 Y CB 0.520 39.138 38.460 0.263 0.000 1.218 319 Y HN 0.516 nan 8.280 nan 0.000 0.508 320 D N 7.722 127.897 120.400 -0.374 0.000 2.440 320 D HA 0.348 5.007 4.640 0.032 0.000 0.239 320 D C -2.372 173.446 176.300 -0.804 0.000 1.084 320 D CA -2.659 51.076 54.000 -0.441 0.000 0.843 320 D CB 2.064 42.765 40.800 -0.166 0.000 1.097 320 D HN 0.295 nan 8.370 nan 0.000 0.531 321 P HA -0.071 nan 4.420 nan 0.000 0.228 321 P C 0.837 177.992 177.300 -0.241 0.000 1.151 321 P CA 0.770 63.519 63.100 -0.585 0.000 0.770 321 P CB 0.201 31.718 31.700 -0.305 0.000 0.786 322 S N -2.689 112.894 115.700 -0.195 0.000 2.593 322 S HA 0.155 4.644 4.470 0.032 0.000 0.217 322 S C 0.681 175.231 174.600 -0.084 0.000 0.966 322 S CA -0.067 58.071 58.200 -0.102 0.000 0.914 322 S CB -0.376 62.778 63.200 -0.076 0.000 0.776 322 S HN 0.063 nan 8.310 nan 0.000 0.523 323 K N 1.818 122.152 120.400 -0.109 0.000 2.281 323 K HA 0.379 4.718 4.320 0.032 0.000 0.242 323 K C -1.388 175.183 176.600 -0.048 0.000 0.971 323 K CA -0.893 55.353 56.287 -0.069 0.000 0.834 323 K CB 1.015 33.479 32.500 -0.061 0.000 1.181 323 K HN 0.235 nan 8.250 nan 0.000 0.435 324 D N 0.957 121.324 120.400 -0.054 0.000 2.362 324 D HA 0.156 4.815 4.640 0.032 0.000 0.242 324 D C -0.340 175.878 176.300 -0.136 0.000 1.132 324 D CA -0.227 53.726 54.000 -0.079 0.000 0.907 324 D CB 0.624 41.374 40.800 -0.083 0.000 1.195 324 D HN 0.203 nan 8.370 nan 0.000 0.429 325 L N 1.048 122.147 121.223 -0.208 0.000 2.296 325 L HA 0.387 4.746 4.340 0.032 0.000 0.286 325 L C -0.576 176.033 176.870 -0.435 0.000 1.023 325 L CA -0.946 53.676 54.840 -0.363 0.000 0.812 325 L CB 0.941 42.733 42.059 -0.445 0.000 1.223 325 L HN 0.287 nan 8.230 nan 0.000 0.421 326 I N 3.245 123.461 120.570 -0.589 0.000 2.406 326 I HA 0.513 4.701 4.170 0.032 0.000 0.290 326 I C 0.021 175.676 176.117 -0.770 0.000 0.999 326 I CA -0.490 60.378 61.300 -0.719 0.000 1.124 326 I CB 1.703 39.101 38.000 -1.004 0.000 1.289 326 I HN 0.537 nan 8.210 nan 0.000 0.441 327 A N 5.737 128.210 122.820 -0.578 0.000 2.304 327 A HA 0.618 4.957 4.320 0.032 0.000 0.314 327 A C -0.413 177.128 177.584 -0.071 0.000 1.187 327 A CA -0.549 51.285 52.037 -0.338 0.000 0.810 327 A CB 1.258 19.990 19.000 -0.447 0.000 1.183 327 A HN 0.776 nan 8.150 nan 0.000 0.487 328 E N 2.295 122.540 120.200 0.076 0.000 2.199 328 E HA 0.647 5.016 4.350 0.032 0.000 0.269 328 E C -1.331 175.397 176.600 0.213 0.000 0.899 328 E CA -0.431 56.071 56.400 0.170 0.000 0.772 328 E CB 1.365 31.196 29.700 0.218 0.000 1.155 328 E HN 0.661 nan 8.360 nan 0.000 0.408 329 I N 2.770 123.462 120.570 0.203 0.000 2.646 329 I HA 0.300 4.489 4.170 0.032 0.000 0.299 329 I C -0.837 175.415 176.117 0.225 0.000 1.036 329 I CA -0.806 60.633 61.300 0.232 0.000 1.074 329 I CB 2.041 40.151 38.000 0.184 0.000 1.258 329 I HN 0.405 nan 8.210 nan 0.000 0.430 330 Q N 3.813 123.762 119.800 0.249 0.000 2.372 330 Q HA 0.424 4.783 4.340 0.032 0.000 0.273 330 Q C -1.001 175.099 176.000 0.168 0.000 1.078 330 Q CA -0.880 55.033 55.803 0.183 0.000 0.806 330 Q CB 2.589 31.378 28.738 0.085 0.000 1.332 330 Q HN 0.320 nan 8.270 nan 0.000 0.435 331 K N 1.817 122.198 120.400 -0.032 0.000 2.267 331 K HA 0.129 4.468 4.320 0.032 0.000 0.282 331 K C 0.162 176.578 176.600 -0.307 0.000 1.078 331 K CA -0.165 55.812 56.287 -0.516 0.000 0.903 331 K CB 0.661 32.648 32.500 -0.855 0.000 1.111 331 K HN 0.524 nan 8.250 nan 0.000 0.475 332 Q N 1.633 121.276 119.800 -0.262 0.000 2.245 332 Q HA 0.124 4.482 4.340 0.032 0.000 0.201 332 Q C 0.737 176.643 176.000 -0.157 0.000 0.955 332 Q CA 0.740 56.453 55.803 -0.151 0.000 0.870 332 Q CB 0.796 29.480 28.738 -0.090 0.000 0.945 332 Q HN 0.851 nan 8.270 nan 0.000 0.461 333 G N -0.910 107.750 108.800 -0.233 0.000 2.570 333 G HA2 0.176 4.155 3.960 0.032 0.000 0.310 333 G HA3 0.176 4.155 3.960 0.032 0.000 0.310 333 G C -1.518 173.250 174.900 -0.220 0.000 1.266 333 G CA -0.821 44.179 45.100 -0.166 0.000 0.825 333 G HN -0.064 nan 8.290 nan 0.000 0.483 334 Q N 0.254 119.986 119.800 -0.114 0.000 2.281 334 Q HA 0.413 4.772 4.340 0.032 0.000 0.267 334 Q C 1.119 177.077 176.000 -0.070 0.000 1.053 334 Q CA 1.181 56.940 55.803 -0.073 0.000 0.905 334 Q CB 0.331 29.061 28.738 -0.013 0.000 1.195 334 Q HN 1.830 nan 8.270 nan 0.000 0.398 335 G N 3.672 112.428 108.800 -0.074 0.000 2.147 335 G HA2 -0.297 3.682 3.960 0.032 0.000 0.244 335 G HA3 -0.297 3.682 3.960 0.032 0.000 0.244 335 G C -0.150 174.758 174.900 0.013 0.000 1.005 335 G CA 0.283 45.428 45.100 0.074 0.000 0.713 335 G HN 0.571 nan 8.290 nan 0.000 0.515 336 Q N -1.161 118.449 119.800 -0.317 0.000 2.292 336 Q HA 0.634 4.993 4.340 0.032 0.000 0.270 336 Q C -0.958 174.788 176.000 -0.424 0.000 1.024 336 Q CA -0.721 54.970 55.803 -0.187 0.000 0.768 336 Q CB 1.349 30.006 28.738 -0.134 0.000 1.250 336 Q HN 0.381 nan 8.270 nan 0.000 0.447 337 W N 1.135 122.494 121.300 0.098 0.000 2.864 337 W HA 0.685 5.367 4.660 0.036 0.000 0.343 337 W C -0.414 176.139 176.519 0.057 0.000 1.109 337 W CA -0.658 56.744 57.345 0.095 0.000 1.192 337 W CB 1.804 31.355 29.460 0.152 0.000 1.426 337 W HN 0.494 nan 8.180 nan 0.000 0.529 338 T N -0.580 114.134 114.554 0.267 0.000 2.906 338 T HA 0.823 5.192 4.350 0.032 0.000 0.295 338 T C -1.321 173.489 174.700 0.184 0.000 1.061 338 T CA -0.823 61.332 62.100 0.091 0.000 1.000 338 T CB 1.957 70.816 68.868 -0.016 0.000 1.103 338 T HN 0.557 nan 8.240 nan 0.000 0.486 339 Y N -0.691 119.597 120.300 -0.021 0.000 2.609 339 Y HA 0.754 5.321 4.550 0.029 0.000 0.336 339 Y C -1.523 174.378 175.900 0.002 0.000 1.129 339 Y CA -1.298 56.813 58.100 0.017 0.000 1.040 339 Y CB 1.679 40.160 38.460 0.034 0.000 1.310 339 Y HN 0.817 nan 8.280 nan 0.000 0.460 340 Q N 2.863 122.743 119.800 0.135 0.000 2.268 340 Q HA 0.511 4.870 4.340 0.032 0.000 0.266 340 Q C -1.993 174.124 176.000 0.194 0.000 1.006 340 Q CA -0.657 55.198 55.803 0.088 0.000 0.824 340 Q CB 2.650 31.406 28.738 0.031 0.000 1.306 340 Q HN 0.922 nan 8.270 nan 0.000 0.424 341 I N 4.108 124.772 120.570 0.158 0.000 2.336 341 I HA 0.522 4.711 4.170 0.032 0.000 0.292 341 I C -0.777 175.337 176.117 -0.005 0.000 0.991 341 I CA -0.750 60.530 61.300 -0.033 0.000 1.227 341 I CB 0.757 38.747 38.000 -0.016 0.000 1.366 341 I HN 0.657 nan 8.210 nan 0.000 0.466 342 Y N 2.736 122.956 120.300 -0.133 0.000 2.625 342 Y HA 0.530 5.098 4.550 0.030 0.000 0.338 342 Y C -0.060 175.762 175.900 -0.129 0.000 1.123 342 Y CA -0.957 57.078 58.100 -0.108 0.000 1.046 342 Y CB 1.159 39.564 38.460 -0.092 0.000 1.299 342 Y HN 0.431 nan 8.280 nan 0.000 0.464 343 Q N 0.104 119.973 119.800 0.115 0.000 2.462 343 Q HA 0.270 4.629 4.340 0.032 0.000 0.224 343 Q C -0.668 175.426 176.000 0.156 0.000 0.911 343 Q CA 0.409 56.235 55.803 0.038 0.000 0.925 343 Q CB 0.747 29.492 28.738 0.011 0.000 1.063 343 Q HN 0.788 nan 8.270 nan 0.000 0.572 344 E N 1.888 122.207 120.200 0.198 0.000 2.155 344 E HA 0.250 4.619 4.350 0.032 0.000 0.264 344 E C -2.555 174.119 176.600 0.124 0.000 0.886 344 E CA -2.537 53.950 56.400 0.145 0.000 0.752 344 E CB 1.609 31.357 29.700 0.080 0.000 1.133 344 E HN 0.045 nan 8.360 nan 0.000 0.414 345 P HA -0.166 nan 4.420 nan 0.000 0.263 345 P C -0.159 177.145 177.300 0.008 0.000 1.162 345 P CA 0.722 63.716 63.100 -0.177 0.000 0.758 345 P CB 0.206 31.938 31.700 0.054 0.000 0.773 346 F N -1.199 118.508 119.950 -0.405 0.000 2.825 346 F HA -0.215 4.328 4.527 0.026 0.000 0.358 346 F C 0.958 176.680 175.800 -0.130 0.000 0.639 346 F CA 1.268 59.131 58.000 -0.228 0.000 1.153 346 F CB -1.446 37.459 39.000 -0.158 0.000 1.610 346 F HN 0.308 nan 8.300 nan 0.000 0.305 347 K N 1.760 122.146 120.400 -0.024 0.000 2.432 347 K HA 0.303 4.642 4.320 0.032 0.000 0.226 347 K C -0.251 176.391 176.600 0.070 0.000 1.057 347 K CA -0.255 56.049 56.287 0.029 0.000 1.034 347 K CB 0.116 32.647 32.500 0.050 0.000 1.561 347 K HN 0.035 nan 8.250 nan 0.000 0.492 348 N N 2.463 121.196 118.700 0.054 0.000 2.497 348 N HA 0.128 4.887 4.740 0.032 0.000 0.271 348 N C 1.296 176.976 175.510 0.284 0.000 1.142 348 N CA -0.090 53.048 53.050 0.147 0.000 0.965 348 N CB 1.257 39.800 38.487 0.093 0.000 1.077 348 N HN 0.261 nan 8.380 nan 0.000 0.462 349 L N 1.204 122.611 121.223 0.307 0.000 2.145 349 L HA 0.144 4.503 4.340 0.032 0.000 0.201 349 L C 0.951 178.105 176.870 0.474 0.000 1.075 349 L CA 0.975 56.077 54.840 0.437 0.000 0.773 349 L CB 0.108 42.314 42.059 0.244 0.000 0.936 349 L HN 0.453 nan 8.230 nan 0.000 0.451 350 K N -0.885 119.709 120.400 0.323 0.000 2.551 350 K HA 0.396 4.735 4.320 0.032 0.000 0.269 350 K C -1.369 175.287 176.600 0.094 0.000 0.949 350 K CA -0.443 55.992 56.287 0.246 0.000 0.849 350 K CB 2.182 34.830 32.500 0.246 0.000 1.411 350 K HN 0.006 nan 8.250 nan 0.000 0.432 351 T N -1.146 113.366 114.554 -0.069 0.000 2.864 351 T HA 0.887 5.256 4.350 0.032 0.000 0.299 351 T C -0.225 174.107 174.700 -0.613 0.000 1.166 351 T CA -0.665 61.211 62.100 -0.373 0.000 1.007 351 T CB 2.030 70.740 68.868 -0.263 0.000 1.219 351 T HN 0.741 nan 8.240 nan 0.000 0.506 352 G N 0.249 108.355 108.800 -1.156 0.000 2.495 352 G HA2 0.677 4.655 3.960 0.032 0.000 0.294 352 G HA3 0.677 4.655 3.960 0.032 0.000 0.294 352 G C -2.082 172.297 174.900 -0.868 0.000 1.397 352 G CA -0.898 43.639 45.100 -0.938 0.000 0.790 352 G HN 1.023 nan 8.290 nan 0.000 0.486 353 K N -1.357 118.734 120.400 -0.515 0.000 2.556 353 K HA 0.739 5.078 4.320 0.032 0.000 0.274 353 K C -2.159 174.225 176.600 -0.360 0.000 0.966 353 K CA -1.055 55.016 56.287 -0.361 0.000 0.865 353 K CB 2.179 34.579 32.500 -0.166 0.000 1.444 353 K HN 0.482 nan 8.250 nan 0.000 0.433 354 Y N -0.030 120.389 120.300 0.199 0.000 2.386 354 Y HA 0.580 5.148 4.550 0.031 0.000 0.334 354 Y C -0.663 175.341 175.900 0.173 0.000 1.002 354 Y CA -0.940 57.266 58.100 0.176 0.000 1.068 354 Y CB 2.520 41.098 38.460 0.196 0.000 1.203 354 Y HN 0.830 nan 8.280 nan 0.000 0.443 355 A N 4.159 127.144 122.820 0.275 0.000 2.288 355 A HA 0.795 5.134 4.320 0.032 0.000 0.320 355 A C -0.350 177.339 177.584 0.175 0.000 1.217 355 A CA -0.992 51.154 52.037 0.181 0.000 0.840 355 A CB 0.561 19.626 19.000 0.109 0.000 1.179 355 A HN 0.749 nan 8.150 nan 0.000 0.504 356 R N 3.838 124.441 120.500 0.172 0.000 2.312 356 R HA 0.201 4.560 4.340 0.032 0.000 0.310 356 R C -0.250 176.114 176.300 0.107 0.000 1.064 356 R CA -0.515 55.671 56.100 0.143 0.000 0.983 356 R CB 1.241 31.653 30.300 0.186 0.000 1.139 356 R HN 0.914 nan 8.270 nan 0.000 0.536 357 M N 5.565 125.214 119.600 0.081 0.000 2.734 357 M HA -0.066 4.433 4.480 0.032 0.000 0.356 357 M C 1.326 177.667 176.300 0.068 0.000 1.790 357 M CA 0.685 56.023 55.300 0.062 0.000 1.231 357 M CB 0.209 32.839 32.600 0.050 0.000 2.102 357 M HN 0.576 nan 8.290 nan 0.000 0.463 358 R N 3.848 124.390 120.500 0.069 0.000 2.323 358 R HA -0.234 4.125 4.340 0.032 0.000 0.259 358 R C 1.010 177.360 176.300 0.084 0.000 1.104 358 R CA 1.397 57.544 56.100 0.078 0.000 0.961 358 R CB -2.461 27.874 30.300 0.059 0.000 0.929 358 R HN 1.008 nan 8.270 nan 0.000 0.457 359 G N 0.026 108.863 108.800 0.062 0.000 2.692 359 G HA2 -0.215 3.764 3.960 0.032 0.000 0.248 359 G HA3 -0.215 3.764 3.960 0.032 0.000 0.248 359 G C 0.934 175.863 174.900 0.048 0.000 1.340 359 G CA 1.649 46.784 45.100 0.059 0.000 0.896 359 G HN 0.765 nan 8.290 nan 0.000 0.570 360 A N -0.348 122.493 122.820 0.035 0.000 1.877 360 A HA 0.174 4.513 4.320 0.032 0.000 0.218 360 A C 1.088 178.588 177.584 -0.140 0.000 1.301 360 A CA 3.254 55.229 52.037 -0.103 0.000 0.699 360 A CB -0.829 18.150 19.000 -0.035 0.000 0.844 360 A HN 2.464 nan 8.150 nan 0.000 0.464 361 H N -3.249 115.898 119.070 0.128 0.000 3.128 361 H HA 0.655 5.229 4.556 0.031 0.000 0.336 361 H C -0.646 174.794 175.328 0.185 0.000 1.026 361 H CA -0.650 55.490 56.048 0.154 0.000 1.376 361 H CB 0.159 30.016 29.762 0.158 0.000 1.882 361 H HN 0.326 nan 8.280 nan 0.000 0.479 362 T N 1.150 115.886 114.554 0.304 0.000 2.654 362 T HA 0.638 5.007 4.350 0.032 0.000 0.289 362 T C -0.597 174.240 174.700 0.228 0.000 1.062 362 T CA -1.160 61.093 62.100 0.255 0.000 1.041 362 T CB 1.713 70.696 68.868 0.193 0.000 1.417 362 T HN 0.842 nan 8.240 nan 0.000 0.510 363 N N -1.301 117.499 118.700 0.167 0.000 2.494 363 N HA 0.427 5.186 4.740 0.032 0.000 0.270 363 N C -0.475 175.060 175.510 0.041 0.000 1.285 363 N CA -0.750 52.372 53.050 0.120 0.000 0.812 363 N CB 0.961 39.502 38.487 0.090 0.000 1.557 363 N HN 0.284 nan 8.380 nan 0.000 0.487 364 D N 0.136 120.584 120.400 0.080 0.000 2.133 364 D HA -0.130 4.528 4.640 0.032 0.000 0.195 364 D C 1.671 177.950 176.300 -0.034 0.000 0.997 364 D CA 1.266 55.348 54.000 0.137 0.000 0.840 364 D CB -0.119 40.763 40.800 0.136 0.000 0.947 364 D HN 0.395 nan 8.370 nan 0.000 0.452 365 V N 0.751 120.436 119.914 -0.381 0.000 2.307 365 V HA -0.238 3.901 4.120 0.032 0.000 0.245 365 V C 2.360 178.016 176.094 -0.729 0.000 1.045 365 V CA 1.602 63.492 62.300 -0.685 0.000 1.024 365 V CB -0.521 30.549 31.823 -1.254 0.000 0.651 365 V HN 0.095 nan 8.190 nan 0.000 0.449 366 K N 0.615 120.571 120.400 -0.739 0.000 2.044 366 K HA -0.247 4.092 4.320 0.032 0.000 0.210 366 K C 2.177 178.623 176.600 -0.257 0.000 1.049 366 K CA 1.876 57.949 56.287 -0.357 0.000 0.927 366 K CB -0.486 31.965 32.500 -0.082 0.000 0.713 366 K HN 0.523 nan 8.250 nan 0.000 0.443 367 Q N -0.072 119.614 119.800 -0.190 0.000 2.124 367 Q HA -0.132 4.227 4.340 0.032 0.000 0.202 367 Q C 2.145 177.781 176.000 -0.607 0.000 0.977 367 Q CA 1.491 57.188 55.803 -0.176 0.000 0.850 367 Q CB -0.184 28.660 28.738 0.177 0.000 0.901 367 Q HN 0.399 nan 8.270 nan 0.000 0.429 368 L N 0.176 120.927 121.223 -0.787 0.000 1.970 368 L HA -0.252 4.107 4.340 0.032 0.000 0.212 368 L C 2.302 178.671 176.870 -0.835 0.000 1.071 368 L CA 1.597 55.719 54.840 -1.196 0.000 0.751 368 L CB -0.584 40.989 42.059 -0.811 0.000 0.889 368 L HN 0.270 nan 8.230 nan 0.000 0.432 369 T N -0.130 114.062 114.554 -0.603 0.000 2.714 369 T HA -0.266 4.103 4.350 0.032 0.000 0.268 369 T C 1.515 175.963 174.700 -0.421 0.000 1.036 369 T CA 2.025 63.847 62.100 -0.463 0.000 1.148 369 T CB -0.203 68.539 68.868 -0.210 0.000 0.856 369 T HN 0.520 nan 8.240 nan 0.000 0.462 370 E N 0.426 120.385 120.200 -0.400 0.000 2.216 370 E HA 0.084 4.453 4.350 0.032 0.000 0.192 370 E C 2.506 178.834 176.600 -0.453 0.000 0.988 370 E CA 0.660 56.849 56.400 -0.352 0.000 0.834 370 E CB -0.122 29.410 29.700 -0.280 0.000 0.772 370 E HN 0.523 nan 8.360 nan 0.000 0.479 371 A N 1.625 124.101 122.820 -0.573 0.000 1.832 371 A HA -0.131 4.208 4.320 0.032 0.000 0.214 371 A C 2.579 179.900 177.584 -0.438 0.000 1.200 371 A CA 1.172 52.899 52.037 -0.517 0.000 0.610 371 A CB -0.949 17.671 19.000 -0.634 0.000 0.842 371 A HN 0.093 nan 8.150 nan 0.000 0.444 372 V N 0.909 120.477 119.914 -0.577 0.000 2.277 372 V HA -0.391 3.748 4.120 0.032 0.000 0.253 372 V C 2.908 178.736 176.094 -0.444 0.000 1.067 372 V CA 2.822 64.687 62.300 -0.724 0.000 1.047 372 V CB -1.036 30.160 31.823 -1.045 0.000 0.649 372 V HN 0.886 nan 8.190 nan 0.000 0.447 373 Q N 0.677 120.244 119.800 -0.389 0.000 2.050 373 Q HA -0.211 4.147 4.340 0.032 0.000 0.202 373 Q C 2.091 177.970 176.000 -0.201 0.000 0.980 373 Q CA 2.018 57.675 55.803 -0.244 0.000 0.840 373 Q CB -0.481 28.134 28.738 -0.205 0.000 0.898 373 Q HN 0.551 nan 8.270 nan 0.000 0.424 374 K N 0.016 120.249 120.400 -0.277 0.000 2.097 374 K HA -0.079 4.260 4.320 0.032 0.000 0.206 374 K C 2.175 178.672 176.600 -0.172 0.000 1.049 374 K CA 1.561 57.688 56.287 -0.266 0.000 0.933 374 K CB -0.220 31.979 32.500 -0.502 0.000 0.717 374 K HN 0.334 nan 8.250 nan 0.000 0.442 375 I N 0.760 121.223 120.570 -0.179 0.000 2.179 375 I HA -0.262 3.927 4.170 0.032 0.000 0.242 375 I C 2.237 178.344 176.117 -0.016 0.000 1.088 375 I CA 1.272 62.480 61.300 -0.154 0.000 1.357 375 I CB -0.507 37.417 38.000 -0.125 0.000 1.051 375 I HN 0.149 nan 8.210 nan 0.000 0.409 376 T N 0.023 114.614 114.554 0.061 0.000 2.699 376 T HA -0.204 4.165 4.350 0.032 0.000 0.268 376 T C 1.888 176.597 174.700 0.014 0.000 1.036 376 T CA 2.145 64.299 62.100 0.090 0.000 1.147 376 T CB -0.342 68.579 68.868 0.089 0.000 0.862 376 T HN 0.375 nan 8.240 nan 0.000 0.446 377 T N 1.851 116.388 114.554 -0.029 0.000 2.777 377 T HA -0.095 4.274 4.350 0.032 0.000 0.266 377 T C 2.067 176.726 174.700 -0.069 0.000 1.040 377 T CA 1.548 63.622 62.100 -0.043 0.000 1.141 377 T CB -0.232 68.601 68.868 -0.058 0.000 0.868 377 T HN 0.774 nan 8.240 nan 0.000 0.444 378 E N 1.020 121.169 120.200 -0.085 0.000 2.208 378 E HA -0.041 4.328 4.350 0.032 0.000 0.193 378 E C 2.146 178.627 176.600 -0.198 0.000 0.988 378 E CA 1.220 57.537 56.400 -0.139 0.000 0.828 378 E CB -0.289 29.337 29.700 -0.124 0.000 0.763 378 E HN 0.241 nan 8.360 nan 0.000 0.478 379 S N 1.051 116.710 115.700 -0.068 0.000 2.356 379 S HA -0.083 4.406 4.470 0.032 0.000 0.223 379 S C 1.950 176.531 174.600 -0.032 0.000 1.032 379 S CA 1.196 59.434 58.200 0.063 0.000 1.005 379 S CB -0.280 63.038 63.200 0.195 0.000 0.867 379 S HN 0.268 nan 8.310 nan 0.000 0.449 380 I N 1.186 121.736 120.570 -0.033 0.000 2.361 380 I HA -0.119 4.070 4.170 0.032 0.000 0.251 380 I C 1.945 178.003 176.117 -0.098 0.000 1.133 380 I CA 0.796 62.075 61.300 -0.035 0.000 1.413 380 I CB -0.240 37.755 38.000 -0.009 0.000 1.073 380 I HN 0.151 nan 8.210 nan 0.000 0.424 381 V N 0.649 120.470 119.914 -0.155 0.000 2.719 381 V HA -0.169 3.970 4.120 0.032 0.000 0.252 381 V C 2.060 177.978 176.094 -0.295 0.000 1.065 381 V CA 1.461 63.653 62.300 -0.179 0.000 1.086 381 V CB -0.061 31.659 31.823 -0.171 0.000 0.700 381 V HN 0.333 nan 8.190 nan 0.000 0.467 382 I N -1.841 118.423 120.570 -0.510 0.000 2.556 382 I HA -0.040 4.149 4.170 0.032 0.000 0.251 382 I C 1.514 177.088 176.117 -0.905 0.000 1.105 382 I CA 1.032 61.797 61.300 -0.892 0.000 1.436 382 I CB 0.031 37.047 38.000 -1.641 0.000 1.139 382 I HN 0.376 nan 8.210 nan 0.000 0.438 383 W N 0.816 121.974 121.300 -0.235 0.000 2.653 383 W HA 0.400 5.079 4.660 0.031 0.000 0.391 383 W C 1.281 177.706 176.519 -0.156 0.000 0.962 383 W CA 0.060 57.214 57.345 -0.318 0.000 1.900 383 W CB -0.489 28.604 29.460 -0.613 0.000 1.176 383 W HN 0.270 nan 8.180 nan 0.000 0.582 384 G N 2.692 111.497 108.800 0.008 0.000 2.280 384 G HA2 -0.345 3.634 3.960 0.032 0.000 0.282 384 G HA3 -0.345 3.634 3.960 0.032 0.000 0.282 384 G C 0.373 175.312 174.900 0.066 0.000 1.000 384 G CA 1.530 46.651 45.100 0.035 0.000 0.751 384 G HN 0.408 nan 8.290 nan 0.000 0.515 385 K N -1.767 118.687 120.400 0.089 0.000 2.533 385 K HA 0.720 5.059 4.320 0.032 0.000 0.272 385 K C -0.626 176.005 176.600 0.051 0.000 0.985 385 K CA -0.451 55.876 56.287 0.066 0.000 0.876 385 K CB 1.317 33.855 32.500 0.063 0.000 1.452 385 K HN 0.450 nan 8.250 nan 0.000 0.439 386 T N -0.439 114.119 114.554 0.006 0.000 2.824 386 T HA 0.498 4.866 4.350 0.032 0.000 0.280 386 T C -2.488 172.103 174.700 -0.181 0.000 0.995 386 T CA -1.735 60.338 62.100 -0.045 0.000 1.009 386 T CB 1.081 69.960 68.868 0.017 0.000 0.955 386 T HN 0.369 nan 8.240 nan 0.000 0.452 387 P HA 0.215 nan 4.420 nan 0.000 0.269 387 P C -0.504 176.373 177.300 -0.706 0.000 1.215 387 P CA -0.474 62.258 63.100 -0.612 0.000 0.780 387 P CB 0.399 31.574 31.700 -0.876 0.000 0.898 388 K N 1.914 122.014 120.400 -0.500 0.000 2.218 388 K HA 0.363 4.702 4.320 0.032 0.000 0.276 388 K C -0.520 175.831 176.600 -0.414 0.000 1.022 388 K CA -0.124 55.973 56.287 -0.316 0.000 0.946 388 K CB 0.359 32.742 32.500 -0.194 0.000 1.000 388 K HN 0.300 nan 8.250 nan 0.000 0.468 389 F N 1.670 121.577 119.950 -0.073 0.000 2.443 389 F HA 0.276 4.820 4.527 0.029 0.000 0.335 389 F C 0.487 176.312 175.800 0.041 0.000 1.104 389 F CA -0.840 57.132 58.000 -0.046 0.000 1.013 389 F CB 1.335 40.289 39.000 -0.077 0.000 1.136 389 F HN 0.090 nan 8.300 nan 0.000 0.470 390 K N 5.245 125.781 120.400 0.226 0.000 2.316 390 K HA 0.552 4.891 4.320 0.032 0.000 0.267 390 K C -0.973 175.757 176.600 0.217 0.000 1.025 390 K CA -0.239 56.162 56.287 0.189 0.000 0.896 390 K CB 1.476 34.041 32.500 0.109 0.000 1.124 390 K HN 0.605 nan 8.250 nan 0.000 0.451 391 L N 4.464 125.860 121.223 0.288 0.000 2.362 391 L HA 0.425 4.784 4.340 0.032 0.000 0.271 391 L C -1.964 175.067 176.870 0.269 0.000 1.002 391 L CA -2.095 52.850 54.840 0.175 0.000 0.818 391 L CB 2.602 44.596 42.059 -0.108 0.000 1.298 391 L HN 0.273 nan 8.230 nan 0.000 0.420 392 P HA 0.186 nan 4.420 nan 0.000 0.225 392 P C -0.676 176.777 177.300 0.254 0.000 1.768 392 P CA 0.399 63.657 63.100 0.263 0.000 0.943 392 P CB 0.089 31.899 31.700 0.182 0.000 1.936 393 I N -1.197 119.573 120.570 0.333 0.000 2.753 393 I HA 0.193 4.382 4.170 0.032 0.000 0.291 393 I C -1.104 175.061 176.117 0.080 0.000 1.425 393 I CA -0.798 60.562 61.300 0.101 0.000 1.039 393 I CB 2.431 40.401 38.000 -0.050 0.000 1.349 393 I HN -0.169 nan 8.210 nan 0.000 0.430 394 Q N 5.675 125.339 119.800 -0.228 0.000 2.392 394 Q HA 0.178 4.537 4.340 0.032 0.000 0.262 394 Q C 0.422 176.502 176.000 0.134 0.000 1.003 394 Q CA -0.336 55.241 55.803 -0.376 0.000 0.888 394 Q CB 1.282 29.790 28.738 -0.384 0.000 1.260 394 Q HN 0.560 nan 8.270 nan 0.000 0.435 395 K N 2.088 122.593 120.400 0.175 0.000 2.147 395 K HA -0.168 4.171 4.320 0.032 0.000 0.205 395 K C 1.529 178.322 176.600 0.321 0.000 1.049 395 K CA 1.313 57.817 56.287 0.361 0.000 0.936 395 K CB 0.251 32.825 32.500 0.124 0.000 0.722 395 K HN 0.513 nan 8.250 nan 0.000 0.446 396 E N 0.020 120.309 120.200 0.148 0.000 2.031 396 E HA -0.107 4.262 4.350 0.032 0.000 0.193 396 E C 2.055 178.732 176.600 0.129 0.000 0.994 396 E CA 1.711 58.177 56.400 0.109 0.000 0.800 396 E CB -0.413 29.305 29.700 0.031 0.000 0.752 396 E HN 0.188 nan 8.360 nan 0.000 0.447 397 T N 0.838 115.455 114.554 0.105 0.000 2.635 397 T HA -0.213 4.156 4.350 0.032 0.000 0.267 397 T C 1.375 176.194 174.700 0.199 0.000 1.040 397 T CA 1.425 63.581 62.100 0.095 0.000 1.156 397 T CB -0.526 68.356 68.868 0.024 0.000 0.863 397 T HN 0.420 nan 8.240 nan 0.000 0.430 398 W N 2.236 123.626 121.300 0.150 0.000 2.333 398 W HA -0.147 4.530 4.660 0.028 0.000 0.316 398 W C 1.984 178.811 176.519 0.513 0.000 1.215 398 W CA 1.264 58.770 57.345 0.268 0.000 1.278 398 W CB -0.299 29.289 29.460 0.214 0.000 1.154 398 W HN 0.228 nan 8.180 nan 0.000 0.486 399 E N 0.101 120.489 120.200 0.314 0.000 2.097 399 E HA -0.201 4.168 4.350 0.032 0.000 0.196 399 E C 2.037 178.531 176.600 -0.178 0.000 1.000 399 E CA 2.509 58.990 56.400 0.136 0.000 0.804 399 E CB -0.664 29.165 29.700 0.214 0.000 0.740 399 E HN 0.281 nan 8.360 nan 0.000 0.454 400 T N 0.197 114.722 114.554 -0.048 0.000 2.674 400 T HA -0.178 4.191 4.350 0.032 0.000 0.265 400 T C 1.360 175.996 174.700 -0.106 0.000 1.039 400 T CA 1.426 63.475 62.100 -0.085 0.000 1.150 400 T CB -0.553 68.313 68.868 -0.003 0.000 0.864 400 T HN 0.356 nan 8.240 nan 0.000 0.427 401 W N 2.170 123.330 121.300 -0.233 0.000 2.322 401 W HA -0.173 4.510 4.660 0.038 0.000 0.326 401 W C 2.417 178.743 176.519 -0.322 0.000 1.224 401 W CA 1.685 58.882 57.345 -0.246 0.000 1.257 401 W CB -0.698 28.620 29.460 -0.237 0.000 1.174 401 W HN 0.486 nan 8.180 nan 0.000 0.460 402 W N 1.827 122.783 121.300 -0.574 0.000 2.338 402 W HA -0.251 4.426 4.660 0.029 0.000 0.304 402 W C 1.908 178.099 176.519 -0.547 0.000 1.212 402 W CA 2.838 59.659 57.345 -0.873 0.000 1.264 402 W CB -1.848 26.897 29.460 -1.192 0.000 1.142 402 W HN 0.139 nan 8.180 nan 0.000 0.512 403 T N -0.819 112.860 114.554 -1.459 0.000 2.849 403 T HA -0.239 4.130 4.350 0.032 0.000 0.270 403 T C 1.474 175.783 174.700 -0.651 0.000 1.066 403 T CA 1.966 63.279 62.100 -1.311 0.000 1.130 403 T CB -0.532 67.726 68.868 -1.017 0.000 0.864 403 T HN 0.431 nan 8.240 nan 0.000 0.481 404 E N -0.895 118.996 120.200 -0.515 0.000 2.340 404 E HA 0.187 4.556 4.350 0.032 0.000 0.198 404 E C 0.048 176.463 176.600 -0.308 0.000 0.961 404 E CA -0.516 55.682 56.400 -0.336 0.000 0.905 404 E CB 0.085 29.637 29.700 -0.246 0.000 0.884 404 E HN 0.533 nan 8.360 nan 0.000 0.491 405 Y N 1.910 121.813 120.300 -0.663 0.000 2.757 405 Y HA -0.233 4.337 4.550 0.034 0.000 0.344 405 Y C 1.200 176.853 175.900 -0.412 0.000 1.263 405 Y CA 0.043 57.721 58.100 -0.704 0.000 1.493 405 Y CB 0.392 38.042 38.460 -1.349 0.000 1.342 405 Y HN 0.190 nan 8.280 nan 0.000 0.627 406 W N 3.290 124.039 121.300 -0.920 0.000 2.584 406 W HA 0.096 4.774 4.660 0.031 0.000 0.264 406 W C -0.391 175.897 176.519 -0.385 0.000 1.264 406 W CA 0.172 57.176 57.345 -0.569 0.000 1.306 406 W CB -0.191 28.936 29.460 -0.554 0.000 1.110 406 W HN 0.503 nan 8.180 nan 0.000 0.606 407 Q N 1.101 120.019 119.800 -1.470 0.000 2.226 407 Q HA 0.530 4.889 4.340 0.032 0.000 0.256 407 Q C -0.350 175.407 176.000 -0.405 0.000 0.962 407 Q CA -0.498 54.624 55.803 -1.135 0.000 0.887 407 Q CB 2.176 30.060 28.738 -1.422 0.000 1.282 407 Q HN 0.022 nan 8.270 nan 0.000 0.449 408 A N 1.913 124.588 122.820 -0.242 0.000 2.450 408 A HA 0.450 4.789 4.320 0.032 0.000 0.255 408 A C -0.231 177.348 177.584 -0.008 0.000 1.096 408 A CA 0.298 52.292 52.037 -0.072 0.000 0.778 408 A CB 0.832 19.804 19.000 -0.046 0.000 1.031 408 A HN 0.612 nan 8.150 nan 0.000 0.494 409 T N 1.120 115.736 114.554 0.103 0.000 2.853 409 T HA 0.578 4.947 4.350 0.032 0.000 0.311 409 T C -1.993 172.905 174.700 0.330 0.000 1.307 409 T CA -0.234 61.987 62.100 0.201 0.000 1.019 409 T CB 0.868 69.888 68.868 0.253 0.000 1.264 409 T HN 1.043 nan 8.240 nan 0.000 0.497 410 W N 3.208 124.548 121.300 0.067 0.000 3.146 410 W HA 0.745 5.426 4.660 0.035 0.000 0.319 410 W C -2.598 173.781 176.519 -0.233 0.000 1.258 410 W CA -0.838 56.479 57.345 -0.047 0.000 1.189 410 W CB 0.975 30.369 29.460 -0.109 0.000 1.412 410 W HN 0.643 nan 8.180 nan 0.000 0.567 411 I N 5.267 125.250 120.570 -0.978 0.000 2.512 411 I HA 0.283 4.472 4.170 0.032 0.000 0.287 411 I C -2.048 173.142 176.117 -1.544 0.000 1.069 411 I CA -2.012 58.507 61.300 -1.301 0.000 1.056 411 I CB 2.146 39.199 38.000 -1.580 0.000 1.229 411 I HN 0.084 nan 8.210 nan 0.000 0.429 412 P HA -0.059 nan 4.420 nan 0.000 0.270 412 P C -0.231 176.884 177.300 -0.309 0.000 1.227 412 P CA -0.244 62.249 63.100 -1.013 0.000 0.788 412 P CB 0.447 31.884 31.700 -0.438 0.000 0.926 413 E N 2.122 122.254 120.200 -0.114 0.000 2.900 413 E HA -0.113 4.256 4.350 0.032 0.000 0.259 413 E C -0.758 175.905 176.600 0.104 0.000 0.918 413 E CA 0.786 57.175 56.400 -0.018 0.000 0.960 413 E CB 0.088 29.780 29.700 -0.015 0.000 0.908 413 E HN 0.397 nan 8.360 nan 0.000 0.511 414 W N 3.274 124.500 121.300 -0.123 0.000 3.003 414 W HA 0.675 5.350 4.660 0.025 0.000 0.362 414 W C -1.342 175.146 176.519 -0.052 0.000 1.213 414 W CA -0.984 56.316 57.345 -0.076 0.000 1.157 414 W CB 0.793 30.141 29.460 -0.188 0.000 1.493 414 W HN 0.503 nan 8.180 nan 0.000 0.589 415 E N 0.942 121.163 120.200 0.035 0.000 2.335 415 E HA 0.336 4.705 4.350 0.032 0.000 0.280 415 E C -1.782 174.940 176.600 0.203 0.000 0.918 415 E CA -0.826 55.485 56.400 -0.149 0.000 0.765 415 E CB 2.613 32.271 29.700 -0.071 0.000 1.218 415 E HN 0.269 nan 8.360 nan 0.000 0.425 416 F N 4.526 124.474 119.950 -0.003 0.000 2.538 416 F HA 0.307 4.842 4.527 0.014 0.000 0.371 416 F C -1.013 174.863 175.800 0.126 0.000 1.087 416 F CA -0.110 58.014 58.000 0.207 0.000 1.250 416 F CB 0.827 39.907 39.000 0.134 0.000 1.110 416 F HN 0.131 nan 8.300 nan 0.000 0.570 417 V N 7.625 127.328 119.914 -0.351 0.000 2.407 417 V HA 0.253 4.392 4.120 0.032 0.000 0.291 417 V C -0.165 175.535 176.094 -0.656 0.000 1.018 417 V CA -0.825 61.191 62.300 -0.473 0.000 0.842 417 V CB 1.125 32.883 31.823 -0.110 0.000 0.996 417 V HN 0.806 nan 8.190 nan 0.000 0.426 418 N N 4.487 122.691 118.700 -0.826 0.000 3.167 418 N HA 0.017 4.776 4.740 0.032 0.000 0.318 418 N C 0.036 175.496 175.510 -0.082 0.000 1.268 418 N CA 0.437 53.270 53.050 -0.363 0.000 1.197 418 N CB -0.245 38.124 38.487 -0.197 0.000 1.464 418 N HN 0.681 nan 8.380 nan 0.000 0.555 419 T N 1.308 115.842 114.554 -0.034 0.000 2.738 419 T HA 0.412 4.781 4.350 0.032 0.000 0.298 419 T C -2.558 172.172 174.700 0.050 0.000 0.962 419 T CA -1.899 60.208 62.100 0.012 0.000 0.972 419 T CB 0.631 69.510 68.868 0.017 0.000 0.928 419 T HN 0.180 nan 8.240 nan 0.000 0.474 420 P HA 0.310 nan 4.420 nan 0.000 0.272 420 P C -2.460 174.858 177.300 0.031 0.000 1.230 420 P CA -1.122 62.007 63.100 0.048 0.000 0.788 420 P CB 0.109 31.833 31.700 0.040 0.000 0.949 421 P HA 0.267 nan 4.420 nan 0.000 0.296 421 P C -0.786 176.523 177.300 0.015 0.000 1.306 421 P CA -0.250 62.858 63.100 0.013 0.000 0.818 421 P CB 0.896 32.592 31.700 -0.007 0.000 0.969 422 L N 2.644 123.884 121.223 0.028 0.000 2.452 422 L HA 0.255 4.614 4.340 0.032 0.000 0.267 422 L C 1.121 177.953 176.870 -0.064 0.000 1.188 422 L CA -0.927 53.936 54.840 0.038 0.000 0.821 422 L CB 0.692 42.789 42.059 0.065 0.000 1.102 422 L HN 0.253 nan 8.230 nan 0.000 0.470 423 V N 0.809 120.695 119.914 -0.047 0.000 2.498 423 V HA 0.545 4.684 4.120 0.032 0.000 0.279 423 V C -0.310 175.645 176.094 -0.232 0.000 1.048 423 V CA -0.438 61.783 62.300 -0.133 0.000 0.967 423 V CB 1.117 32.950 31.823 0.017 0.000 0.988 423 V HN 0.889 nan 8.190 nan 0.000 0.473 424 K N 4.810 124.946 120.400 -0.440 0.000 2.466 424 K HA 0.658 4.997 4.320 0.032 0.000 0.260 424 K C -1.036 175.252 176.600 -0.520 0.000 1.011 424 K CA -0.998 55.036 56.287 -0.422 0.000 0.871 424 K CB 1.325 33.606 32.500 -0.365 0.000 1.404 424 K HN 0.613 nan 8.250 nan 0.000 0.450 425 L N 2.695 123.738 121.223 -0.300 0.000 2.407 425 L HA 0.198 4.557 4.340 0.032 0.000 0.282 425 L C 0.333 177.146 176.870 -0.095 0.000 1.110 425 L CA -0.326 54.400 54.840 -0.189 0.000 0.863 425 L CB -0.028 41.986 42.059 -0.075 0.000 1.207 425 L HN 0.655 nan 8.230 nan 0.000 0.454 426 W N 3.504 124.773 121.300 -0.051 0.000 2.342 426 W HA -0.179 4.499 4.660 0.029 0.000 0.297 426 W C 0.483 177.077 176.519 0.126 0.000 1.213 426 W CA 0.399 57.767 57.345 0.039 0.000 1.251 426 W CB -0.088 29.425 29.460 0.088 0.000 1.136 426 W HN 0.529 nan 8.180 nan 0.000 0.526 427 Y N -3.483 116.986 120.300 0.281 0.000 2.713 427 Y HA 0.550 5.118 4.550 0.030 0.000 0.335 427 Y C -1.236 174.757 175.900 0.154 0.000 1.222 427 Y CA -2.167 56.041 58.100 0.180 0.000 1.061 427 Y CB 0.504 39.051 38.460 0.146 0.000 1.314 427 Y HN -0.191 nan 8.280 nan 0.000 0.453 428 Q N 2.425 122.391 119.800 0.276 0.000 2.275 428 Q HA 0.462 4.821 4.340 0.032 0.000 0.258 428 Q C -1.477 174.689 176.000 0.278 0.000 0.960 428 Q CA -0.774 55.138 55.803 0.183 0.000 0.801 428 Q CB 3.006 31.806 28.738 0.104 0.000 1.302 428 Q HN 0.725 nan 8.270 nan 0.000 0.433 429 L N 2.200 123.603 121.223 0.299 0.000 2.485 429 L HA 0.103 4.462 4.340 0.032 0.000 0.275 429 L C 0.832 177.822 176.870 0.199 0.000 1.207 429 L CA -0.034 54.950 54.840 0.239 0.000 0.855 429 L CB 0.134 42.314 42.059 0.202 0.000 1.114 429 L HN 0.427 nan 8.230 nan 0.000 0.485 430 E N 2.389 122.722 120.200 0.222 0.000 2.404 430 E HA 0.004 4.373 4.350 0.032 0.000 0.261 430 E C 0.365 177.117 176.600 0.253 0.000 1.074 430 E CA 0.023 56.539 56.400 0.193 0.000 0.917 430 E CB 0.908 30.709 29.700 0.168 0.000 0.965 430 E HN 0.401 nan 8.360 nan 0.000 0.433 431 K N 0.465 120.939 120.400 0.122 0.000 2.314 431 K HA -0.040 4.299 4.320 0.032 0.000 0.198 431 K C 0.212 176.825 176.600 0.021 0.000 1.045 431 K CA 0.668 57.023 56.287 0.114 0.000 0.988 431 K CB 0.379 32.907 32.500 0.046 0.000 0.783 431 K HN 0.497 nan 8.250 nan 0.000 0.484 432 E N -0.102 119.954 120.200 -0.240 0.000 2.416 432 E HA 0.337 4.706 4.350 0.032 0.000 0.273 432 E C -2.818 173.136 176.600 -1.078 0.000 0.935 432 E CA -2.699 53.360 56.400 -0.569 0.000 0.784 432 E CB 1.131 30.677 29.700 -0.256 0.000 1.301 432 E HN -0.239 nan 8.360 nan 0.000 0.454 433 P HA 0.026 nan 4.420 nan 0.000 0.267 433 P C -0.350 176.778 177.300 -0.288 0.000 1.200 433 P CA 0.179 62.856 63.100 -0.705 0.000 0.772 433 P CB 0.640 32.171 31.700 -0.282 0.000 0.855 434 I N 2.150 122.653 120.570 -0.112 0.000 2.416 434 I HA 0.123 4.311 4.170 0.032 0.000 0.288 434 I C 0.666 176.776 176.117 -0.011 0.000 1.051 434 I CA -0.861 60.418 61.300 -0.034 0.000 1.375 434 I CB 0.917 38.933 38.000 0.026 0.000 1.407 434 I HN 0.048 nan 8.210 nan 0.000 0.516 435 V N 5.460 125.366 119.914 -0.014 0.000 2.583 435 V HA 0.383 4.522 4.120 0.032 0.000 0.287 435 V C 1.022 177.125 176.094 0.014 0.000 1.051 435 V CA 0.148 62.447 62.300 -0.001 0.000 1.010 435 V CB 0.857 32.676 31.823 -0.007 0.000 0.988 435 V HN 1.129 nan 8.190 nan 0.000 0.478 436 G N 3.460 112.273 108.800 0.021 0.000 2.256 436 G HA2 0.137 4.116 3.960 0.032 0.000 0.272 436 G HA3 0.137 4.116 3.960 0.032 0.000 0.272 436 G C -0.019 174.903 174.900 0.037 0.000 1.076 436 G CA 0.203 45.319 45.100 0.026 0.000 0.882 436 G HN 1.636 nan 8.290 nan 0.000 0.497 437 A N -0.743 122.106 122.820 0.048 0.000 2.486 437 A HA 0.821 5.160 4.320 0.032 0.000 0.300 437 A C -0.066 177.572 177.584 0.090 0.000 1.048 437 A CA 0.055 52.133 52.037 0.069 0.000 0.696 437 A CB 1.319 20.362 19.000 0.070 0.000 1.278 437 A HN 0.671 nan 8.150 nan 0.000 0.405 438 E N 0.485 120.758 120.200 0.122 0.000 2.404 438 E HA 0.369 4.738 4.350 0.032 0.000 0.261 438 E C -0.704 176.015 176.600 0.199 0.000 1.074 438 E CA 0.273 56.753 56.400 0.133 0.000 0.917 438 E CB 0.550 30.348 29.700 0.163 0.000 0.965 438 E HN 0.504 nan 8.360 nan 0.000 0.433 439 T N 4.290 118.923 114.554 0.133 0.000 2.833 439 T HA 0.339 4.708 4.350 0.032 0.000 0.297 439 T C -1.142 173.649 174.700 0.151 0.000 1.015 439 T CA -0.465 61.727 62.100 0.154 0.000 0.963 439 T CB 0.017 68.941 68.868 0.093 0.000 0.955 439 T HN 0.220 nan 8.240 nan 0.000 0.449 440 F N 2.503 122.418 119.950 -0.057 0.000 2.408 440 F HA 0.464 5.011 4.527 0.033 0.000 0.344 440 F C -0.113 175.662 175.800 -0.042 0.000 1.112 440 F CA -1.346 56.651 58.000 -0.004 0.000 1.096 440 F CB 0.762 39.678 39.000 -0.140 0.000 1.129 440 F HN 0.495 nan 8.300 nan 0.000 0.486 441 Y N 2.958 123.379 120.300 0.202 0.000 2.417 441 Y HA 0.486 5.056 4.550 0.032 0.000 0.336 441 Y C 0.056 176.058 175.900 0.170 0.000 0.961 441 Y CA -1.029 57.147 58.100 0.128 0.000 1.215 441 Y CB 1.162 39.660 38.460 0.063 0.000 1.120 441 Y HN 0.411 nan 8.280 nan 0.000 0.499 442 V N 0.016 120.067 119.914 0.229 0.000 2.713 442 V HA 0.798 4.937 4.120 0.032 0.000 0.307 442 V C -0.795 175.381 176.094 0.137 0.000 1.052 442 V CA -0.438 61.991 62.300 0.215 0.000 0.967 442 V CB 2.059 33.979 31.823 0.162 0.000 1.019 442 V HN 0.615 nan 8.190 nan 0.000 0.459 443 D N 0.775 121.246 120.400 0.118 0.000 2.654 443 D HA 0.764 5.423 4.640 0.032 0.000 0.231 443 D C -0.536 175.796 176.300 0.053 0.000 1.239 443 D CA 0.484 54.520 54.000 0.061 0.000 0.790 443 D CB 2.209 43.028 40.800 0.032 0.000 1.480 443 D HN 1.223 nan 8.370 nan 0.000 0.442 444 G N -0.058 108.762 108.800 0.033 0.000 2.746 444 G HA2 0.775 4.754 3.960 0.032 0.000 0.297 444 G HA3 0.775 4.754 3.960 0.032 0.000 0.297 444 G C -1.659 173.255 174.900 0.023 0.000 1.426 444 G CA -0.178 44.942 45.100 0.032 0.000 0.989 444 G HN 0.563 nan 8.290 nan 0.000 0.520 445 A N 0.015 122.849 122.820 0.023 0.000 2.539 445 A HA 1.055 5.394 4.320 0.032 0.000 0.296 445 A C -0.404 177.196 177.584 0.027 0.000 1.073 445 A CA -0.094 51.959 52.037 0.028 0.000 0.700 445 A CB 1.843 20.860 19.000 0.028 0.000 1.296 445 A HN 2.381 nan 8.150 nan 0.000 0.405 446 A N 1.133 123.972 122.820 0.031 0.000 2.515 446 A HA 0.712 5.051 4.320 0.032 0.000 0.298 446 A C -0.927 176.674 177.584 0.028 0.000 1.059 446 A CA -0.690 51.362 52.037 0.025 0.000 0.698 446 A CB 1.219 20.232 19.000 0.023 0.000 1.289 446 A HN 0.878 nan 8.150 nan 0.000 0.404 447 N N 1.014 119.727 118.700 0.022 0.000 2.411 447 N HA 0.098 4.857 4.740 0.032 0.000 0.259 447 N C 1.026 176.548 175.510 0.020 0.000 1.103 447 N CA -0.431 52.631 53.050 0.021 0.000 0.954 447 N CB 0.707 39.204 38.487 0.016 0.000 1.085 447 N HN 0.564 nan 8.380 nan 0.000 0.485 448 R N 3.408 123.922 120.500 0.023 0.000 2.113 448 R HA -0.171 4.187 4.340 0.032 0.000 0.244 448 R C 1.196 177.506 176.300 0.017 0.000 1.142 448 R CA 1.644 57.757 56.100 0.022 0.000 0.953 448 R CB -0.496 29.818 30.300 0.024 0.000 0.860 448 R HN 0.722 nan 8.270 nan 0.000 0.438 449 E N -0.004 120.205 120.200 0.015 0.000 2.046 449 E HA -0.087 4.282 4.350 0.032 0.000 0.190 449 E C 1.860 178.466 176.600 0.010 0.000 0.982 449 E CA 1.667 58.075 56.400 0.012 0.000 0.800 449 E CB -0.235 29.472 29.700 0.011 0.000 0.756 449 E HN 0.532 nan 8.360 nan 0.000 0.449 450 T N -1.220 113.341 114.554 0.010 0.000 3.067 450 T HA 0.048 4.417 4.350 0.032 0.000 0.257 450 T C 0.724 175.429 174.700 0.009 0.000 1.105 450 T CA 0.144 62.249 62.100 0.009 0.000 1.104 450 T CB -0.146 68.727 68.868 0.008 0.000 0.925 450 T HN 0.071 nan 8.240 nan 0.000 0.498 451 K N 0.696 121.102 120.400 0.011 0.000 3.117 451 K HA -0.093 4.246 4.320 0.032 0.000 0.269 451 K C -0.748 175.858 176.600 0.010 0.000 1.098 451 K CA 0.037 56.330 56.287 0.010 0.000 0.785 451 K CB -1.588 30.918 32.500 0.009 0.000 1.242 451 K HN 0.354 nan 8.250 nan 0.000 0.491 452 L N 0.941 122.170 121.223 0.010 0.000 2.305 452 L HA 0.640 4.999 4.340 0.032 0.000 0.284 452 L C 0.680 177.557 176.870 0.011 0.000 1.013 452 L CA 0.297 55.143 54.840 0.009 0.000 0.819 452 L CB 1.393 43.457 42.059 0.008 0.000 1.227 452 L HN 0.360 nan 8.230 nan 0.000 0.417 453 G N 4.209 113.016 108.800 0.011 0.000 2.766 453 G HA2 0.619 4.598 3.960 0.032 0.000 0.288 453 G HA3 0.619 4.598 3.960 0.032 0.000 0.288 453 G C -1.447 173.459 174.900 0.010 0.000 1.408 453 G CA -0.466 44.642 45.100 0.013 0.000 0.852 453 G HN 0.422 nan 8.290 nan 0.000 0.487 454 K N -0.970 119.437 120.400 0.012 0.000 2.477 454 K HA 0.745 5.084 4.320 0.032 0.000 0.255 454 K C -1.140 175.470 176.600 0.016 0.000 0.952 454 K CA -0.728 55.564 56.287 0.008 0.000 0.826 454 K CB 2.721 35.221 32.500 0.001 0.000 1.331 454 K HN 0.821 nan 8.250 nan 0.000 0.437 455 A N 0.693 123.523 122.820 0.017 0.000 2.549 455 A HA 0.912 5.251 4.320 0.032 0.000 0.297 455 A C -0.788 176.817 177.584 0.035 0.000 1.061 455 A CA -0.231 51.828 52.037 0.037 0.000 0.690 455 A CB 2.066 21.095 19.000 0.048 0.000 1.287 455 A HN 0.804 nan 8.150 nan 0.000 0.402 456 G N -0.490 108.353 108.800 0.072 0.000 2.341 456 G HA2 0.697 4.676 3.960 0.032 0.000 0.299 456 G HA3 0.697 4.676 3.960 0.032 0.000 0.299 456 G C -1.428 173.578 174.900 0.177 0.000 1.274 456 G CA 0.371 45.498 45.100 0.045 0.000 0.853 456 G HN 2.253 nan 8.290 nan 0.000 0.493 457 Y N -2.959 117.392 120.300 0.084 0.000 2.713 457 Y HA 0.821 5.390 4.550 0.032 0.000 0.335 457 Y C -1.468 174.468 175.900 0.060 0.000 1.222 457 Y CA -1.329 56.844 58.100 0.122 0.000 1.061 457 Y CB 1.356 39.969 38.460 0.254 0.000 1.314 457 Y HN 1.311 nan 8.280 nan 0.000 0.453 458 V N 1.507 121.589 119.914 0.280 0.000 2.971 458 V HA 0.847 4.986 4.120 0.032 0.000 0.309 458 V C -0.845 175.329 176.094 0.135 0.000 1.130 458 V CA 0.295 62.660 62.300 0.108 0.000 0.964 458 V CB 2.088 33.909 31.823 -0.002 0.000 1.029 458 V HN 1.464 nan 8.190 nan 0.000 0.427 459 T N 1.874 116.416 114.554 -0.020 0.000 2.940 459 T HA 0.374 4.743 4.350 0.032 0.000 0.288 459 T C 0.938 175.617 174.700 -0.036 0.000 1.045 459 T CA -0.092 61.931 62.100 -0.128 0.000 1.018 459 T CB 1.477 70.012 68.868 -0.555 0.000 1.151 459 T HN 0.922 nan 8.240 nan 0.000 0.529 460 N N 0.804 119.517 118.700 0.021 0.000 2.573 460 N HA -0.088 4.671 4.740 0.032 0.000 0.187 460 N C 1.153 176.656 175.510 -0.012 0.000 1.107 460 N CA 0.456 53.526 53.050 0.033 0.000 0.918 460 N CB -0.289 38.252 38.487 0.090 0.000 0.966 460 N HN 0.650 nan 8.380 nan 0.000 0.448 461 R N -0.890 119.581 120.500 -0.049 0.000 2.362 461 R HA 0.186 4.545 4.340 0.032 0.000 0.227 461 R C 0.770 177.043 176.300 -0.046 0.000 0.905 461 R CA 0.462 56.535 56.100 -0.044 0.000 1.067 461 R CB 0.324 30.594 30.300 -0.050 0.000 1.078 461 R HN 0.405 nan 8.270 nan 0.000 0.516 462 G N 1.454 110.222 108.800 -0.052 0.000 2.234 462 G HA2 -0.332 3.647 3.960 0.032 0.000 0.235 462 G HA3 -0.332 3.647 3.960 0.032 0.000 0.235 462 G C 0.247 175.120 174.900 -0.046 0.000 0.997 462 G CA 0.045 45.118 45.100 -0.045 0.000 0.623 462 G HN 0.369 nan 8.290 nan 0.000 0.514 463 R N 1.399 121.868 120.500 -0.050 0.000 2.694 463 R HA 0.517 4.876 4.340 0.032 0.000 0.268 463 R C 0.319 176.612 176.300 -0.012 0.000 1.061 463 R CA 0.813 56.906 56.100 -0.012 0.000 1.133 463 R CB 0.157 30.468 30.300 0.019 0.000 1.020 463 R HN 0.614 nan 8.270 nan 0.000 0.475 464 Q N 1.796 121.553 119.800 -0.072 0.000 2.633 464 Q HA 0.412 4.770 4.340 0.032 0.000 0.289 464 Q C -1.750 173.970 176.000 -0.467 0.000 0.940 464 Q CA -1.234 54.380 55.803 -0.317 0.000 0.785 464 Q CB 2.026 30.643 28.738 -0.202 0.000 1.467 464 Q HN 0.601 nan 8.270 nan 0.000 0.401 465 K N 0.093 120.064 120.400 -0.715 0.000 2.685 465 K HA 0.690 5.029 4.320 0.032 0.000 0.290 465 K C -2.279 174.087 176.600 -0.389 0.000 1.018 465 K CA -0.593 55.395 56.287 -0.499 0.000 0.860 465 K CB 2.822 35.022 32.500 -0.500 0.000 1.498 465 K HN 0.611 nan 8.250 nan 0.000 0.390 466 V N 1.460 121.257 119.914 -0.195 0.000 3.177 466 V HA 0.660 4.799 4.120 0.032 0.000 0.287 466 V C -2.088 173.969 176.094 -0.061 0.000 1.465 466 V CA -0.486 61.746 62.300 -0.114 0.000 1.020 466 V CB 2.161 33.927 31.823 -0.095 0.000 1.152 466 V HN 0.562 nan 8.190 nan 0.000 0.448 467 V N 3.215 123.111 119.914 -0.030 0.000 3.007 467 V HA 0.707 4.846 4.120 0.032 0.000 0.311 467 V C -0.238 175.852 176.094 -0.008 0.000 1.120 467 V CA -0.562 61.728 62.300 -0.016 0.000 0.980 467 V CB 2.533 34.354 31.823 -0.003 0.000 1.033 467 V HN 0.949 nan 8.190 nan 0.000 0.429 468 T N 3.926 118.476 114.554 -0.005 0.000 2.797 468 T HA 0.767 5.136 4.350 0.032 0.000 0.279 468 T C -0.709 173.993 174.700 0.003 0.000 0.991 468 T CA -0.248 61.851 62.100 -0.002 0.000 0.979 468 T CB 0.901 69.766 68.868 -0.004 0.000 0.943 468 T HN 0.398 nan 8.240 nan 0.000 0.444 469 L N 2.307 123.534 121.223 0.007 0.000 2.365 469 L HA 0.597 4.956 4.340 0.032 0.000 0.273 469 L C 0.348 177.222 176.870 0.008 0.000 1.000 469 L CA -0.753 54.092 54.840 0.009 0.000 0.819 469 L CB 2.197 44.264 42.059 0.013 0.000 1.284 469 L HN 0.501 nan 8.230 nan 0.000 0.418 470 T N 0.325 114.883 114.554 0.007 0.000 2.859 470 T HA 0.238 4.606 4.350 0.032 0.000 0.281 470 T C -0.139 174.565 174.700 0.006 0.000 1.005 470 T CA -0.040 62.064 62.100 0.006 0.000 1.025 470 T CB 1.056 69.927 68.868 0.005 0.000 0.977 470 T HN 0.739 nan 8.240 nan 0.000 0.458 471 D N 1.094 121.498 120.400 0.006 0.000 2.772 471 D HA -0.142 4.517 4.640 0.032 0.000 0.233 471 D C 0.130 176.433 176.300 0.005 0.000 1.143 471 D CA 1.348 55.351 54.000 0.005 0.000 0.700 471 D CB -0.772 40.030 40.800 0.004 0.000 1.076 471 D HN 0.507 nan 8.370 nan 0.000 0.430 472 T N -1.636 112.921 114.554 0.007 0.000 2.889 472 T HA 0.815 5.184 4.350 0.032 0.000 0.278 472 T C 0.112 174.816 174.700 0.007 0.000 0.995 472 T CA 0.468 62.572 62.100 0.006 0.000 0.966 472 T CB 1.388 70.261 68.868 0.009 0.000 1.237 472 T HN 0.280 nan 8.240 nan 0.000 0.591 473 T N -0.851 113.707 114.554 0.006 0.000 2.841 473 T HA 0.410 4.779 4.350 0.032 0.000 0.296 473 T C 0.805 175.514 174.700 0.013 0.000 1.166 473 T CA -0.745 61.361 62.100 0.010 0.000 1.007 473 T CB 1.257 70.129 68.868 0.007 0.000 1.253 473 T HN 0.496 nan 8.240 nan 0.000 0.511 474 N N 0.357 119.070 118.700 0.023 0.000 2.084 474 N HA -0.171 4.588 4.740 0.032 0.000 0.190 474 N C 2.049 177.575 175.510 0.027 0.000 1.030 474 N CA 2.230 55.299 53.050 0.032 0.000 0.849 474 N CB -0.298 38.217 38.487 0.047 0.000 1.012 474 N HN 0.797 nan 8.380 nan 0.000 0.423 475 Q N 0.538 120.351 119.800 0.022 0.000 2.096 475 Q HA -0.136 4.223 4.340 0.032 0.000 0.204 475 Q C 1.653 177.623 176.000 -0.050 0.000 0.982 475 Q CA 1.353 57.156 55.803 -0.002 0.000 0.850 475 Q CB -0.206 28.529 28.738 -0.005 0.000 0.901 475 Q HN 0.241 nan 8.270 nan 0.000 0.422 476 K N 0.423 120.797 120.400 -0.043 0.000 2.032 476 K HA -0.110 4.229 4.320 0.032 0.000 0.209 476 K C 2.333 178.923 176.600 -0.015 0.000 1.048 476 K CA 1.816 58.075 56.287 -0.046 0.000 0.927 476 K CB -0.376 32.108 32.500 -0.027 0.000 0.712 476 K HN 0.278 nan 8.250 nan 0.000 0.441 477 T N 1.523 116.079 114.554 0.004 0.000 2.635 477 T HA -0.179 4.190 4.350 0.032 0.000 0.267 477 T C 1.644 176.361 174.700 0.028 0.000 1.040 477 T CA 1.666 63.778 62.100 0.020 0.000 1.156 477 T CB -0.266 68.616 68.868 0.023 0.000 0.863 477 T HN 0.353 nan 8.240 nan 0.000 0.430 478 E N 0.726 120.941 120.200 0.025 0.000 2.077 478 E HA -0.068 4.301 4.350 0.032 0.000 0.193 478 E C 2.279 178.898 176.600 0.032 0.000 0.989 478 E CA 0.847 57.271 56.400 0.039 0.000 0.800 478 E CB -0.322 29.411 29.700 0.055 0.000 0.746 478 E HN 0.414 nan 8.360 nan 0.000 0.452 479 L N 0.805 122.023 121.223 -0.007 0.000 2.056 479 L HA -0.192 4.167 4.340 0.032 0.000 0.207 479 L C 2.742 179.632 176.870 0.033 0.000 1.078 479 L CA 0.824 55.646 54.840 -0.031 0.000 0.749 479 L CB -0.299 41.679 42.059 -0.135 0.000 0.901 479 L HN 0.139 nan 8.230 nan 0.000 0.433 480 Q N 0.033 119.864 119.800 0.053 0.000 2.135 480 Q HA -0.197 4.162 4.340 0.032 0.000 0.204 480 Q C 2.303 178.374 176.000 0.118 0.000 0.981 480 Q CA 1.862 57.736 55.803 0.117 0.000 0.856 480 Q CB -0.241 28.547 28.738 0.084 0.000 0.902 480 Q HN 0.521 nan 8.270 nan 0.000 0.425 481 A N 0.324 123.199 122.820 0.091 0.000 1.908 481 A HA -0.175 4.163 4.320 0.032 0.000 0.218 481 A C 2.150 179.793 177.584 0.099 0.000 1.181 481 A CA 1.417 53.521 52.037 0.111 0.000 0.627 481 A CB -0.630 18.428 19.000 0.097 0.000 0.818 481 A HN 0.384 nan 8.150 nan 0.000 0.445 482 I N -2.143 118.470 120.570 0.071 0.000 2.353 482 I HA -0.181 4.008 4.170 0.032 0.000 0.248 482 I C 2.432 178.580 176.117 0.052 0.000 1.119 482 I CA 1.035 62.353 61.300 0.030 0.000 1.417 482 I CB -0.339 37.673 38.000 0.021 0.000 1.078 482 I HN 0.467 nan 8.210 nan 0.000 0.421 483 Y N 1.908 122.169 120.300 -0.065 0.000 2.128 483 Y HA -0.222 4.347 4.550 0.031 0.000 0.284 483 Y C 2.248 178.101 175.900 -0.079 0.000 1.154 483 Y CA 1.445 59.499 58.100 -0.076 0.000 1.149 483 Y CB -0.678 37.751 38.460 -0.053 0.000 0.976 483 Y HN 0.048 nan 8.280 nan 0.000 0.505 484 L N -0.400 120.755 121.223 -0.115 0.000 2.042 484 L HA -0.248 4.111 4.340 0.032 0.000 0.210 484 L C 2.739 179.477 176.870 -0.220 0.000 1.076 484 L CA 1.354 56.103 54.840 -0.152 0.000 0.749 484 L CB -1.138 40.980 42.059 0.098 0.000 0.893 484 L HN 0.244 nan 8.230 nan 0.000 0.432 485 A N -0.042 122.595 122.820 -0.305 0.000 1.969 485 A HA -0.125 4.214 4.320 0.032 0.000 0.218 485 A C 2.284 179.389 177.584 -0.798 0.000 1.169 485 A CA 1.270 52.830 52.037 -0.795 0.000 0.635 485 A CB -0.508 18.107 19.000 -0.642 0.000 0.810 485 A HN 0.350 nan 8.150 nan 0.000 0.445 486 L N -1.016 119.963 121.223 -0.407 0.000 2.044 486 L HA -0.213 4.146 4.340 0.032 0.000 0.205 486 L C 2.937 179.667 176.870 -0.232 0.000 1.075 486 L CA 1.397 56.068 54.840 -0.281 0.000 0.747 486 L CB -0.586 41.418 42.059 -0.091 0.000 0.903 486 L HN 0.479 nan 8.230 nan 0.000 0.435 487 Q N -0.084 119.584 119.800 -0.218 0.000 2.061 487 Q HA -0.216 4.143 4.340 0.032 0.000 0.204 487 Q C 1.079 176.994 176.000 -0.142 0.000 0.984 487 Q CA 1.586 57.276 55.803 -0.187 0.000 0.846 487 Q CB -0.095 28.466 28.738 -0.296 0.000 0.902 487 Q HN 0.500 nan 8.270 nan 0.000 0.421 488 D N -0.606 119.700 120.400 -0.156 0.000 2.328 488 D HA -0.014 4.645 4.640 0.032 0.000 0.221 488 D C 1.586 177.885 176.300 -0.001 0.000 1.072 488 D CA 0.496 54.478 54.000 -0.030 0.000 0.850 488 D CB 0.236 41.100 40.800 0.107 0.000 0.922 488 D HN 0.187 nan 8.370 nan 0.000 0.516 489 S N -0.219 115.368 115.700 -0.189 0.000 2.388 489 S HA 0.305 4.794 4.470 0.032 0.000 0.223 489 S C 1.340 175.939 174.600 -0.000 0.000 1.034 489 S CA 0.494 58.608 58.200 -0.144 0.000 0.963 489 S CB 0.116 62.982 63.200 -0.556 0.000 0.827 489 S HN 0.360 nan 8.310 nan 0.000 0.481 490 G N 0.613 109.395 108.800 -0.031 0.000 2.555 490 G HA2 0.007 3.986 3.960 0.032 0.000 0.686 490 G HA3 0.007 3.986 3.960 0.032 0.000 0.686 490 G C -0.150 174.746 174.900 -0.007 0.000 1.275 490 G CA -0.389 44.714 45.100 0.005 0.000 0.871 490 G HN 0.271 nan 8.290 nan 0.000 0.603 491 L N 0.507 121.735 121.223 0.009 0.000 2.021 491 L HA 0.052 4.411 4.340 0.032 0.000 0.215 491 L C 1.714 178.591 176.870 0.012 0.000 1.074 491 L CA 2.136 56.983 54.840 0.011 0.000 0.760 491 L CB -0.910 41.161 42.059 0.020 0.000 0.889 491 L HN 0.726 nan 8.230 nan 0.000 0.433 492 E N -1.257 118.957 120.200 0.023 0.000 2.183 492 E HA 0.613 4.982 4.350 0.032 0.000 0.271 492 E C -1.113 175.508 176.600 0.035 0.000 0.919 492 E CA -0.482 55.937 56.400 0.032 0.000 0.781 492 E CB 2.417 32.142 29.700 0.041 0.000 1.140 492 E HN -0.102 nan 8.360 nan 0.000 0.402 493 V N 0.827 120.758 119.914 0.028 0.000 3.048 493 V HA 0.435 4.574 4.120 0.032 0.000 0.303 493 V C -0.829 175.301 176.094 0.059 0.000 1.214 493 V CA -1.283 61.034 62.300 0.028 0.000 0.984 493 V CB 2.124 33.874 31.823 -0.123 0.000 1.054 493 V HN 0.593 nan 8.190 nan 0.000 0.430 494 N N 2.510 121.274 118.700 0.105 0.000 2.362 494 N HA 0.782 5.541 4.740 0.032 0.000 0.298 494 N C -1.253 174.279 175.510 0.036 0.000 1.048 494 N CA -0.354 52.769 53.050 0.121 0.000 0.858 494 N CB 2.742 41.327 38.487 0.163 0.000 1.218 494 N HN 0.687 nan 8.380 nan 0.000 0.488 495 I N 1.140 121.674 120.570 -0.061 0.000 2.571 495 I HA 0.255 4.444 4.170 0.032 0.000 0.289 495 I C -0.487 175.537 176.117 -0.155 0.000 1.115 495 I CA -1.118 60.124 61.300 -0.097 0.000 1.045 495 I CB 2.421 40.345 38.000 -0.127 0.000 1.238 495 I HN 0.129 nan 8.210 nan 0.000 0.424 496 V N 4.200 123.995 119.914 -0.198 0.000 2.555 496 V HA 0.863 5.002 4.120 0.032 0.000 0.302 496 V C -0.675 175.368 176.094 -0.086 0.000 1.038 496 V CA 0.202 62.382 62.300 -0.200 0.000 0.887 496 V CB 1.916 33.529 31.823 -0.351 0.000 0.991 496 V HN 0.893 nan 8.190 nan 0.000 0.434 497 T N 2.621 117.146 114.554 -0.049 0.000 2.868 497 T HA 0.491 4.859 4.350 0.032 0.000 0.306 497 T C -0.637 174.019 174.700 -0.072 0.000 1.224 497 T CA 0.202 62.301 62.100 -0.002 0.000 1.012 497 T CB 1.972 70.880 68.868 0.066 0.000 1.221 497 T HN 0.995 nan 8.240 nan 0.000 0.499 498 D N 0.969 121.310 120.400 -0.098 0.000 2.462 498 D HA 0.223 4.882 4.640 0.032 0.000 0.221 498 D C 0.461 176.869 176.300 0.180 0.000 1.173 498 D CA -0.265 53.550 54.000 -0.308 0.000 0.831 498 D CB 0.164 40.782 40.800 -0.303 0.000 1.001 498 D HN 0.287 nan 8.370 nan 0.000 0.499 499 S N 0.272 116.164 115.700 0.320 0.000 2.549 499 S HA 0.035 4.524 4.470 0.032 0.000 0.279 499 S C 1.257 176.113 174.600 0.428 0.000 1.321 499 S CA -0.329 58.075 58.200 0.340 0.000 1.054 499 S CB 1.107 64.441 63.200 0.224 0.000 0.899 499 S HN 0.028 nan 8.310 nan 0.000 0.497 500 Q N 3.065 123.038 119.800 0.289 0.000 2.050 500 Q HA -0.123 4.236 4.340 0.032 0.000 0.202 500 Q C 1.423 177.425 176.000 0.004 0.000 0.980 500 Q CA 1.795 57.646 55.803 0.080 0.000 0.840 500 Q CB -0.569 28.218 28.738 0.083 0.000 0.898 500 Q HN 0.956 nan 8.270 nan 0.000 0.424 501 Y N 1.017 121.324 120.300 0.012 0.000 2.256 501 Y HA -0.209 4.359 4.550 0.031 0.000 0.288 501 Y C 2.163 178.063 175.900 -0.001 0.000 1.155 501 Y CA 1.217 59.323 58.100 0.010 0.000 1.203 501 Y CB -0.289 38.193 38.460 0.037 0.000 0.980 501 Y HN 0.146 nan 8.280 nan 0.000 0.530 502 A N -0.827 122.122 122.820 0.214 0.000 1.972 502 A HA -0.165 4.174 4.320 0.032 0.000 0.219 502 A C 2.089 179.671 177.584 -0.004 0.000 1.169 502 A CA 1.477 53.599 52.037 0.141 0.000 0.635 502 A CB -0.907 18.204 19.000 0.184 0.000 0.810 502 A HN 0.417 nan 8.150 nan 0.000 0.446 503 L N -0.069 121.059 121.223 -0.158 0.000 2.046 503 L HA -0.041 4.318 4.340 0.032 0.000 0.208 503 L C 2.589 179.296 176.870 -0.271 0.000 1.077 503 L CA 1.893 56.538 54.840 -0.325 0.000 0.747 503 L CB -1.375 40.327 42.059 -0.594 0.000 0.896 503 L HN 0.368 nan 8.230 nan 0.000 0.432 504 G N -0.403 108.226 108.800 -0.284 0.000 2.514 504 G HA2 -0.302 3.677 3.960 0.032 0.000 0.217 504 G HA3 -0.302 3.677 3.960 0.032 0.000 0.217 504 G C 1.690 176.473 174.900 -0.196 0.000 1.198 504 G CA 1.255 46.150 45.100 -0.341 0.000 0.780 504 G HN 0.409 nan 8.290 nan 0.000 0.565 505 I N 0.649 121.196 120.570 -0.038 0.000 2.208 505 I HA -0.173 4.016 4.170 0.032 0.000 0.245 505 I C 2.641 178.797 176.117 0.066 0.000 1.097 505 I CA 0.875 62.225 61.300 0.083 0.000 1.363 505 I CB -0.197 37.901 38.000 0.163 0.000 1.051 505 I HN 0.147 nan 8.210 nan 0.000 0.413 506 I N -0.057 120.515 120.570 0.003 0.000 2.286 506 I HA -0.314 3.875 4.170 0.032 0.000 0.248 506 I C 2.624 178.729 176.117 -0.019 0.000 1.115 506 I CA 1.416 62.716 61.300 0.001 0.000 1.392 506 I CB -0.369 37.604 38.000 -0.046 0.000 1.065 506 I HN 0.327 nan 8.210 nan 0.000 0.418 507 Q N 0.775 120.515 119.800 -0.100 0.000 1.994 507 Q HA -0.168 4.191 4.340 0.032 0.000 0.198 507 Q C 2.303 178.275 176.000 -0.046 0.000 0.976 507 Q CA 1.840 57.553 55.803 -0.150 0.000 0.828 507 Q CB -0.130 28.399 28.738 -0.349 0.000 0.894 507 Q HN 0.515 nan 8.270 nan 0.000 0.432 508 A N -0.126 122.681 122.820 -0.022 0.000 2.021 508 A HA -0.046 4.293 4.320 0.032 0.000 0.216 508 A C 0.483 178.251 177.584 0.308 0.000 1.163 508 A CA 0.598 52.749 52.037 0.191 0.000 0.676 508 A CB -0.068 18.983 19.000 0.085 0.000 0.818 508 A HN 0.591 nan 8.150 nan 0.000 0.453 509 Q N -0.615 119.323 119.800 0.230 0.000 2.431 509 Q HA -0.132 4.227 4.340 0.032 0.000 0.344 509 Q C -2.187 173.982 176.000 0.282 0.000 1.384 509 Q CA 0.344 56.316 55.803 0.281 0.000 0.984 509 Q CB -1.614 27.224 28.738 0.167 0.000 1.204 509 Q HN 0.603 nan 8.270 nan 0.000 0.392 510 P HA -0.037 nan 4.420 nan 0.000 0.271 510 P C -0.012 177.483 177.300 0.325 0.000 1.233 510 P CA 0.464 63.751 63.100 0.311 0.000 0.789 510 P CB 0.586 32.485 31.700 0.332 0.000 0.951 511 D N -1.771 118.788 120.400 0.265 0.000 2.527 511 D HA 0.065 4.724 4.640 0.032 0.000 0.224 511 D C 0.151 176.527 176.300 0.127 0.000 1.217 511 D CA -0.051 54.089 54.000 0.234 0.000 0.819 511 D CB 0.194 41.174 40.800 0.299 0.000 1.061 511 D HN 0.504 nan 8.370 nan 0.000 0.515 512 Q N -1.125 118.765 119.800 0.150 0.000 2.522 512 Q HA 0.616 4.975 4.340 0.032 0.000 0.285 512 Q C -1.343 174.735 176.000 0.131 0.000 0.982 512 Q CA -1.046 54.818 55.803 0.101 0.000 0.805 512 Q CB 1.933 30.731 28.738 0.099 0.000 1.457 512 Q HN 0.047 nan 8.270 nan 0.000 0.394 513 S N -0.284 115.464 115.700 0.081 0.000 2.595 513 S HA 0.226 4.715 4.470 0.032 0.000 0.270 513 S C -0.479 174.133 174.600 0.020 0.000 1.145 513 S CA -0.113 58.129 58.200 0.069 0.000 0.825 513 S CB 1.418 64.666 63.200 0.081 0.000 1.107 513 S HN 0.744 nan 8.310 nan 0.000 0.461 514 E N 1.088 121.286 120.200 -0.004 0.000 2.152 514 E HA 0.142 4.511 4.350 0.032 0.000 0.192 514 E C 0.739 177.322 176.600 -0.028 0.000 0.983 514 E CA 0.772 57.165 56.400 -0.012 0.000 0.818 514 E CB -0.178 29.512 29.700 -0.017 0.000 0.758 514 E HN 0.429 nan 8.360 nan 0.000 0.467 515 S N 0.805 116.480 115.700 -0.042 0.000 2.465 515 S HA 0.018 4.506 4.470 0.032 0.000 0.280 515 S C 0.997 175.549 174.600 -0.080 0.000 1.232 515 S CA -0.434 57.724 58.200 -0.070 0.000 1.066 515 S CB 0.739 63.874 63.200 -0.108 0.000 0.929 515 S HN 0.214 nan 8.310 nan 0.000 0.494 516 E N 4.783 124.936 120.200 -0.078 0.000 2.118 516 E HA -0.156 4.213 4.350 0.032 0.000 0.195 516 E C 1.623 178.143 176.600 -0.134 0.000 0.992 516 E CA 1.595 57.941 56.400 -0.089 0.000 0.804 516 E CB -0.324 29.334 29.700 -0.070 0.000 0.741 516 E HN 0.824 nan 8.360 nan 0.000 0.458 517 L N -0.584 120.553 121.223 -0.143 0.000 2.017 517 L HA -0.170 4.189 4.340 0.032 0.000 0.208 517 L C 2.237 178.966 176.870 -0.234 0.000 1.073 517 L CA 1.310 56.034 54.840 -0.195 0.000 0.745 517 L CB -0.209 41.754 42.059 -0.159 0.000 0.894 517 L HN 0.126 nan 8.230 nan 0.000 0.432 518 V N 0.203 120.007 119.914 -0.185 0.000 2.343 518 V HA -0.282 3.857 4.120 0.032 0.000 0.247 518 V C 2.248 178.269 176.094 -0.122 0.000 1.051 518 V CA 1.865 64.081 62.300 -0.140 0.000 1.036 518 V CB -0.935 30.848 31.823 -0.067 0.000 0.654 518 V HN 0.513 nan 8.190 nan 0.000 0.451 519 N N 0.189 118.819 118.700 -0.116 0.000 2.061 519 N HA -0.195 4.564 4.740 0.032 0.000 0.193 519 N C 1.924 177.321 175.510 -0.188 0.000 1.030 519 N CA 1.413 54.392 53.050 -0.117 0.000 0.856 519 N CB -0.419 38.009 38.487 -0.099 0.000 1.023 519 N HN 0.485 nan 8.380 nan 0.000 0.424 520 Q N 0.672 120.304 119.800 -0.279 0.000 2.096 520 Q HA -0.029 4.330 4.340 0.032 0.000 0.204 520 Q C 2.370 178.089 176.000 -0.469 0.000 0.982 520 Q CA 0.760 56.305 55.803 -0.431 0.000 0.850 520 Q CB -0.396 27.909 28.738 -0.721 0.000 0.901 520 Q HN 0.499 nan 8.270 nan 0.000 0.422 521 I N 0.383 120.698 120.570 -0.425 0.000 2.226 521 I HA -0.280 3.909 4.170 0.032 0.000 0.245 521 I C 2.274 178.271 176.117 -0.200 0.000 1.100 521 I CA 0.983 62.118 61.300 -0.274 0.000 1.374 521 I CB -0.303 37.590 38.000 -0.178 0.000 1.057 521 I HN 0.135 nan 8.210 nan 0.000 0.413 522 I N 0.370 120.838 120.570 -0.170 0.000 2.226 522 I HA -0.248 3.941 4.170 0.032 0.000 0.245 522 I C 2.515 178.534 176.117 -0.164 0.000 1.100 522 I CA 1.119 62.332 61.300 -0.145 0.000 1.374 522 I CB -0.418 37.559 38.000 -0.038 0.000 1.057 522 I HN 0.200 nan 8.210 nan 0.000 0.413 523 E N 0.411 120.515 120.200 -0.160 0.000 2.118 523 E HA -0.280 4.089 4.350 0.032 0.000 0.195 523 E C 2.052 178.586 176.600 -0.110 0.000 0.992 523 E CA 1.261 57.575 56.400 -0.144 0.000 0.804 523 E CB -0.319 29.302 29.700 -0.133 0.000 0.741 523 E HN 0.425 nan 8.360 nan 0.000 0.458 524 Q N 0.507 120.243 119.800 -0.107 0.000 2.046 524 Q HA -0.003 4.356 4.340 0.032 0.000 0.200 524 Q C 2.334 178.263 176.000 -0.118 0.000 0.975 524 Q CA 0.908 56.671 55.803 -0.066 0.000 0.836 524 Q CB -0.348 28.391 28.738 0.002 0.000 0.896 524 Q HN 0.262 nan 8.270 nan 0.000 0.428 525 L N -0.253 120.841 121.223 -0.214 0.000 2.043 525 L HA -0.230 4.129 4.340 0.032 0.000 0.212 525 L C 2.255 178.990 176.870 -0.226 0.000 1.075 525 L CA 1.237 55.864 54.840 -0.354 0.000 0.752 525 L CB -0.535 41.041 42.059 -0.805 0.000 0.891 525 L HN 0.296 nan 8.230 nan 0.000 0.432 526 I N -0.459 120.035 120.570 -0.125 0.000 2.226 526 I HA -0.273 3.915 4.170 0.032 0.000 0.245 526 I C 2.462 178.607 176.117 0.046 0.000 1.100 526 I CA 1.128 62.460 61.300 0.053 0.000 1.374 526 I CB -0.413 37.612 38.000 0.041 0.000 1.057 526 I HN 0.224 nan 8.210 nan 0.000 0.413 527 K N 1.133 121.530 120.400 -0.004 0.000 2.209 527 K HA -0.056 4.283 4.320 0.032 0.000 0.204 527 K C 0.715 177.324 176.600 0.015 0.000 1.048 527 K CA 0.780 57.072 56.287 0.009 0.000 0.940 527 K CB -0.355 32.141 32.500 -0.008 0.000 0.729 527 K HN 0.303 nan 8.250 nan 0.000 0.451 528 K N 1.289 121.687 120.400 -0.003 0.000 2.219 528 K HA -0.002 4.337 4.320 0.032 0.000 0.258 528 K C 1.191 177.813 176.600 0.036 0.000 1.008 528 K CA 0.129 56.417 56.287 0.002 0.000 0.928 528 K CB 0.943 33.426 32.500 -0.028 0.000 0.983 528 K HN 0.144 nan 8.250 nan 0.000 0.484 529 E N 1.161 121.382 120.200 0.036 0.000 2.190 529 E HA -0.037 4.332 4.350 0.032 0.000 0.191 529 E C -0.490 176.147 176.600 0.060 0.000 0.978 529 E CA 0.880 57.310 56.400 0.051 0.000 0.839 529 E CB 0.487 30.212 29.700 0.041 0.000 0.787 529 E HN 0.330 nan 8.360 nan 0.000 0.473 530 K N 0.326 120.758 120.400 0.053 0.000 2.589 530 K HA 0.325 4.664 4.320 0.032 0.000 0.253 530 K C -1.893 174.744 176.600 0.061 0.000 0.974 530 K CA -0.444 55.883 56.287 0.066 0.000 0.835 530 K CB 2.694 35.229 32.500 0.059 0.000 1.272 530 K HN -0.150 nan 8.250 nan 0.000 0.444 531 V N 3.495 123.457 119.914 0.079 0.000 2.531 531 V HA 0.355 4.494 4.120 0.032 0.000 0.301 531 V C -1.408 174.767 176.094 0.136 0.000 1.034 531 V CA -0.887 61.449 62.300 0.060 0.000 0.865 531 V CB 1.382 33.197 31.823 -0.014 0.000 0.995 531 V HN 0.662 nan 8.190 nan 0.000 0.424 532 Y N 6.042 126.343 120.300 0.001 0.000 2.328 532 Y HA 0.762 5.331 4.550 0.031 0.000 0.333 532 Y C -1.058 174.842 175.900 -0.000 0.000 0.958 532 Y CA -1.306 56.801 58.100 0.012 0.000 1.167 532 Y CB 1.662 40.129 38.460 0.011 0.000 1.151 532 Y HN 0.592 nan 8.280 nan 0.000 0.470 533 L N 5.960 126.874 121.223 -0.515 0.000 2.322 533 L HA 0.934 5.293 4.340 0.032 0.000 0.281 533 L C -1.188 175.336 176.870 -0.577 0.000 1.014 533 L CA -0.555 54.041 54.840 -0.407 0.000 0.815 533 L CB 1.308 43.260 42.059 -0.178 0.000 1.247 533 L HN 0.741 nan 8.230 nan 0.000 0.421 534 A N 4.178 126.774 122.820 -0.374 0.000 2.449 534 A HA 0.644 4.983 4.320 0.032 0.000 0.302 534 A C -2.108 175.486 177.584 0.015 0.000 1.048 534 A CA -0.514 51.397 52.037 -0.211 0.000 0.708 534 A CB 0.820 19.689 19.000 -0.218 0.000 1.274 534 A HN 0.789 nan 8.150 nan 0.000 0.410 535 W N 2.687 123.924 121.300 -0.104 0.000 2.606 535 W HA 0.620 5.298 4.660 0.031 0.000 0.332 535 W C -0.823 175.682 176.519 -0.023 0.000 1.052 535 W CA -0.353 56.959 57.345 -0.055 0.000 1.223 535 W CB 1.896 31.327 29.460 -0.048 0.000 1.383 535 W HN 0.883 nan 8.180 nan 0.000 0.524 536 V N 3.476 122.859 119.914 -0.885 0.000 2.925 536 V HA 0.677 4.816 4.120 0.032 0.000 0.311 536 V C -2.687 172.526 176.094 -1.468 0.000 1.104 536 V CA -3.116 58.695 62.300 -0.814 0.000 0.954 536 V CB 1.436 33.045 31.823 -0.357 0.000 1.022 536 V HN 0.504 nan 8.190 nan 0.000 0.427 537 P HA 0.337 nan 4.420 nan 0.000 0.269 537 P C -0.115 176.935 177.300 -0.416 0.000 1.209 537 P CA 0.402 63.044 63.100 -0.763 0.000 0.776 537 P CB 0.471 32.013 31.700 -0.264 0.000 0.876 538 A N 2.638 125.331 122.820 -0.212 0.000 2.351 538 A HA 0.219 4.557 4.320 0.032 0.000 0.257 538 A C 0.560 178.141 177.584 -0.004 0.000 1.087 538 A CA -0.148 51.789 52.037 -0.167 0.000 0.798 538 A CB -0.690 18.237 19.000 -0.121 0.000 1.033 538 A HN 0.845 nan 8.150 nan 0.000 0.488 539 H N -1.467 117.574 119.070 -0.048 0.000 3.010 539 H HA -0.155 4.420 4.556 0.032 0.000 0.272 539 H C 0.341 175.648 175.328 -0.035 0.000 1.151 539 H CA 1.552 57.582 56.048 -0.030 0.000 1.159 539 H CB -1.317 28.438 29.762 -0.012 0.000 1.295 539 H HN 0.655 nan 8.280 nan 0.000 0.344 540 K N -0.085 120.332 120.400 0.029 0.000 2.646 540 K HA 0.443 4.782 4.320 0.032 0.000 0.270 540 K C 1.764 178.359 176.600 -0.009 0.000 1.026 540 K CA 0.389 56.680 56.287 0.006 0.000 1.043 540 K CB 0.162 32.646 32.500 -0.027 0.000 1.383 540 K HN 0.095 nan 8.250 nan 0.000 0.513 541 G N 0.305 109.096 108.800 -0.015 0.000 2.404 541 G HA2 -0.091 3.887 3.960 0.032 0.000 0.215 541 G HA3 -0.091 3.887 3.960 0.032 0.000 0.215 541 G C -0.033 174.846 174.900 -0.035 0.000 1.174 541 G CA 0.672 45.760 45.100 -0.021 0.000 0.780 541 G HN 0.525 nan 8.290 nan 0.000 0.537 542 I N 1.713 122.263 120.570 -0.034 0.000 3.396 542 I HA 0.243 4.432 4.170 0.032 0.000 0.356 542 I C 0.943 177.045 176.117 -0.025 0.000 1.198 542 I CA 1.067 62.354 61.300 -0.022 0.000 1.512 542 I CB -0.796 37.195 38.000 -0.015 0.000 1.283 542 I HN 0.349 nan 8.210 nan 0.000 0.480 543 G N 0.000 108.756 108.800 -0.073 0.000 5.446 543 G HA2 0.000 3.979 3.960 0.032 0.000 0.244 543 G HA3 0.000 3.979 3.960 0.032 0.000 0.244 543 G CA 0.000 45.012 45.100 -0.147 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925