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 1hni_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 FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS 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 KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 0.000 177.347 177.300 0.078 0.000 1.155 1 P CA 0.000 63.131 63.100 0.052 0.000 0.800 1 P CB 0.000 31.722 31.700 0.036 0.000 0.726 2 I N 0.093 120.708 120.570 0.075 0.000 2.680 2 I HA 0.320 4.490 4.170 0.000 0.000 0.291 2 I C -0.355 175.820 176.117 0.098 0.000 1.244 2 I CA -0.553 60.805 61.300 0.097 0.000 1.042 2 I CB 2.301 40.354 38.000 0.088 0.000 1.277 2 I HN 0.359 nan 8.210 nan 0.000 0.423 3 S N 6.931 122.710 115.700 0.131 0.000 2.549 3 S HA 0.312 4.782 4.470 0.000 0.000 0.283 3 S C -1.887 172.805 174.600 0.153 0.000 1.320 3 S CA -0.803 57.496 58.200 0.166 0.000 1.058 3 S CB 0.681 64.000 63.200 0.199 0.000 0.882 3 S HN 0.435 nan 8.310 nan 0.000 0.498 4 P HA 0.225 nan 4.420 nan 0.000 0.236 4 P C -0.056 177.378 177.300 0.223 0.000 1.749 4 P CA -0.332 62.840 63.100 0.121 0.000 0.994 4 P CB -0.381 31.326 31.700 0.012 0.000 1.599 5 I N 0.206 120.930 120.570 0.256 0.000 2.823 5 I HA 0.094 4.264 4.170 0.000 0.000 0.290 5 I C 0.098 176.294 176.117 0.132 0.000 1.091 5 I CA -0.630 60.807 61.300 0.229 0.000 1.365 5 I CB 0.626 38.682 38.000 0.094 0.000 1.427 5 I HN -0.161 nan 8.210 nan 0.000 0.583 6 E N 4.018 124.276 120.200 0.098 0.000 2.265 6 E HA 0.138 4.488 4.350 0.000 0.000 0.272 6 E C 0.120 176.751 176.600 0.050 0.000 1.067 6 E CA 0.020 56.461 56.400 0.068 0.000 0.900 6 E CB 0.123 29.855 29.700 0.054 0.000 1.017 6 E HN 0.623 nan 8.360 nan 0.000 0.431 7 T N 1.829 116.418 114.554 0.058 0.000 2.680 7 T HA 0.161 4.511 4.350 0.000 0.000 0.314 7 T C -0.178 174.557 174.700 0.059 0.000 1.045 7 T CA -0.532 61.603 62.100 0.059 0.000 1.025 7 T CB 0.373 69.279 68.868 0.064 0.000 1.000 7 T HN 0.207 nan 8.240 nan 0.000 0.535 8 V N 4.581 124.539 119.914 0.073 0.000 2.531 8 V HA 0.448 4.568 4.120 0.000 0.000 0.301 8 V C -2.248 173.926 176.094 0.133 0.000 1.034 8 V CA -1.817 60.537 62.300 0.090 0.000 0.865 8 V CB 1.543 33.414 31.823 0.081 0.000 0.995 8 V HN 0.821 nan 8.190 nan 0.000 0.424 9 P HA 0.321 nan 4.420 nan 0.000 0.276 9 P C -0.769 176.668 177.300 0.228 0.000 1.253 9 P CA 0.101 63.302 63.100 0.168 0.000 0.766 9 P CB 1.520 33.297 31.700 0.128 0.000 0.845 10 V N 4.203 124.300 119.914 0.305 0.000 2.960 10 V HA 0.592 4.712 4.120 0.000 0.000 0.315 10 V C 0.299 176.681 176.094 0.480 0.000 1.087 10 V CA -0.578 61.956 62.300 0.389 0.000 0.982 10 V CB 2.445 34.546 31.823 0.463 0.000 1.039 10 V HN 0.543 nan 8.190 nan 0.000 0.437 11 K N 1.296 121.913 120.400 0.361 0.000 2.499 11 K HA 0.687 5.007 4.320 0.000 0.000 0.277 11 K C -1.793 174.884 176.600 0.129 0.000 1.025 11 K CA -0.823 55.591 56.287 0.213 0.000 0.900 11 K CB 2.305 34.850 32.500 0.074 0.000 1.494 11 K HN 0.524 nan 8.250 nan 0.000 0.442 12 L N 2.165 123.325 121.223 -0.105 0.000 2.360 12 L HA 0.404 4.744 4.340 0.000 0.000 0.271 12 L C 0.030 176.845 176.870 -0.091 0.000 1.057 12 L CA -0.867 53.897 54.840 -0.126 0.000 0.803 12 L CB 1.217 43.088 42.059 -0.314 0.000 1.207 12 L HN 0.535 nan 8.230 nan 0.000 0.445 13 K N 2.456 122.813 120.400 -0.071 0.000 2.473 13 K HA 0.027 4.347 4.320 0.000 0.000 0.277 13 K C -2.249 174.318 176.600 -0.056 0.000 1.052 13 K CA -1.297 54.954 56.287 -0.060 0.000 1.114 13 K CB -0.311 32.158 32.500 -0.050 0.000 0.869 13 K HN 0.243 nan 8.250 nan 0.000 0.481 14 P HA -0.154 nan 4.420 nan 0.000 0.257 14 P C 0.723 178.006 177.300 -0.028 0.000 1.162 14 P CA 1.132 64.213 63.100 -0.032 0.000 0.762 14 P CB 0.375 32.061 31.700 -0.023 0.000 0.753 15 G N 1.849 110.634 108.800 -0.026 0.000 2.218 15 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 15 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 15 G C 0.131 175.015 174.900 -0.026 0.000 0.994 15 G CA -0.411 44.678 45.100 -0.019 0.000 0.637 15 G HN 0.384 nan 8.290 nan 0.000 0.505 16 M N 0.161 119.733 119.600 -0.046 0.000 2.679 16 M HA 0.790 5.270 4.480 0.000 0.000 0.287 16 M C -0.179 176.061 176.300 -0.099 0.000 1.202 16 M CA -0.405 54.857 55.300 -0.064 0.000 0.911 16 M CB 1.216 33.774 32.600 -0.071 0.000 1.556 16 M HN 0.182 nan 8.290 nan 0.000 0.511 17 D N -1.223 119.092 120.400 -0.142 0.000 2.626 17 D HA 0.530 5.170 4.640 0.000 0.000 0.278 17 D C -0.574 175.461 176.300 -0.441 0.000 1.211 17 D CA -0.203 53.661 54.000 -0.227 0.000 0.903 17 D CB 1.465 42.198 40.800 -0.112 0.000 1.408 17 D HN 0.711 nan 8.370 nan 0.000 0.454 18 G N 1.522 109.724 108.800 -0.996 0.000 2.272 18 G HA2 0.287 4.247 3.960 0.000 0.000 0.247 18 G HA3 0.287 4.247 3.960 0.000 0.000 0.247 18 G C -2.119 172.385 174.900 -0.661 0.000 1.272 18 G CA -0.682 43.651 45.100 -1.277 0.000 0.921 18 G HN 0.352 nan 8.290 nan 0.000 0.495 19 P HA 0.036 nan 4.420 nan 0.000 0.261 19 P C -0.394 176.962 177.300 0.093 0.000 1.173 19 P CA 0.292 63.395 63.100 0.004 0.000 0.760 19 P CB 0.742 32.504 31.700 0.104 0.000 0.783 20 K N 2.289 122.749 120.400 0.100 0.000 3.045 20 K HA 0.299 4.619 4.320 0.000 0.000 0.214 20 K C -0.645 176.020 176.600 0.109 0.000 1.213 20 K CA -0.315 56.056 56.287 0.139 0.000 1.111 20 K CB 0.378 32.958 32.500 0.135 0.000 1.454 20 K HN 0.202 nan 8.250 nan 0.000 0.498 21 V N 2.047 122.030 119.914 0.115 0.000 2.293 21 V HA 0.217 4.338 4.120 0.000 0.000 0.275 21 V C 0.214 176.366 176.094 0.097 0.000 1.021 21 V CA -1.047 61.316 62.300 0.105 0.000 0.815 21 V CB 0.780 32.670 31.823 0.112 0.000 1.025 21 V HN 0.278 nan 8.190 nan 0.000 0.448 22 K N 2.909 123.357 120.400 0.080 0.000 2.319 22 K HA 0.213 4.533 4.320 0.000 0.000 0.265 22 K C 0.138 176.785 176.600 0.080 0.000 1.000 22 K CA -0.130 56.192 56.287 0.058 0.000 0.943 22 K CB 1.055 33.569 32.500 0.023 0.000 0.950 22 K HN 0.817 nan 8.250 nan 0.000 0.485 23 Q N 2.374 122.209 119.800 0.059 0.000 2.256 23 Q HA 0.065 4.405 4.340 0.000 0.000 0.254 23 Q C -1.064 175.045 176.000 0.183 0.000 0.916 23 Q CA -0.425 55.433 55.803 0.091 0.000 0.932 23 Q CB 0.684 29.421 28.738 -0.001 0.000 1.207 23 Q HN 0.425 nan 8.270 nan 0.000 0.426 24 W N 8.192 129.578 121.300 0.143 0.000 2.485 24 W HA 0.275 4.935 4.660 0.000 0.000 0.315 24 W C -2.313 174.294 176.519 0.145 0.000 1.304 24 W CA -2.371 55.056 57.345 0.136 0.000 1.345 24 W CB 0.555 30.102 29.460 0.145 0.000 1.368 24 W HN 0.645 nan 8.180 nan 0.000 0.497 25 P HA -0.107 nan 4.420 nan 0.000 0.260 25 P C -0.107 177.404 177.300 0.352 0.000 1.185 25 P CA 0.155 63.412 63.100 0.261 0.000 0.763 25 P CB 0.825 32.595 31.700 0.116 0.000 0.776 26 L N 4.594 125.973 121.223 0.260 0.000 2.543 26 L HA 0.323 4.663 4.340 0.000 0.000 0.231 26 L C 0.557 177.507 176.870 0.134 0.000 1.194 26 L CA 0.119 55.072 54.840 0.188 0.000 0.823 26 L CB -0.082 42.074 42.059 0.163 0.000 1.374 26 L HN 0.422 nan 8.230 nan 0.000 0.507 27 T N -0.265 114.346 114.554 0.094 0.000 2.946 27 T HA 0.039 4.390 4.350 0.000 0.000 0.311 27 T C 1.040 175.779 174.700 0.065 0.000 1.063 27 T CA 0.080 62.223 62.100 0.071 0.000 1.139 27 T CB 0.070 68.968 68.868 0.049 0.000 0.994 27 T HN 0.668 nan 8.240 nan 0.000 0.547 28 E N 2.051 122.283 120.200 0.054 0.000 2.273 28 E HA -0.271 4.079 4.350 0.000 0.000 0.198 28 E C 1.364 177.988 176.600 0.040 0.000 1.002 28 E CA 1.239 57.665 56.400 0.043 0.000 0.828 28 E CB -0.334 29.386 29.700 0.033 0.000 0.747 28 E HN 0.876 nan 8.360 nan 0.000 0.491 29 E N 0.932 121.156 120.200 0.040 0.000 2.013 29 E HA -0.170 4.180 4.350 0.000 0.000 0.202 29 E C 1.967 178.592 176.600 0.042 0.000 1.018 29 E CA 1.277 57.699 56.400 0.036 0.000 0.834 29 E CB 0.034 29.753 29.700 0.032 0.000 0.770 29 E HN 0.098 nan 8.360 nan 0.000 0.459 30 K N 0.593 121.024 120.400 0.051 0.000 2.283 30 K HA -0.049 4.272 4.320 0.000 0.000 0.202 30 K C 2.076 178.715 176.600 0.065 0.000 1.048 30 K CA 0.433 56.756 56.287 0.060 0.000 0.948 30 K CB -0.378 32.166 32.500 0.074 0.000 0.742 30 K HN 0.264 nan 8.250 nan 0.000 0.458 31 I N 1.156 121.763 120.570 0.062 0.000 2.185 31 I HA -0.378 3.792 4.170 0.000 0.000 0.246 31 I C 2.102 178.244 176.117 0.041 0.000 1.088 31 I CA 1.608 62.940 61.300 0.053 0.000 1.347 31 I CB -0.172 37.854 38.000 0.043 0.000 1.041 31 I HN 0.214 nan 8.210 nan 0.000 0.415 32 K N 0.665 121.087 120.400 0.037 0.000 2.025 32 K HA -0.094 4.226 4.320 0.000 0.000 0.207 32 K C 2.276 178.901 176.600 0.041 0.000 1.049 32 K CA 1.352 57.659 56.287 0.033 0.000 0.933 32 K CB -0.329 32.187 32.500 0.028 0.000 0.714 32 K HN 0.282 nan 8.250 nan 0.000 0.438 33 A N 1.598 124.446 122.820 0.045 0.000 1.997 33 A HA -0.201 4.119 4.320 0.000 0.000 0.221 33 A C 2.106 179.728 177.584 0.063 0.000 1.172 33 A CA 1.522 53.590 52.037 0.050 0.000 0.645 33 A CB -0.772 18.259 19.000 0.051 0.000 0.813 33 A HN 0.189 nan 8.150 nan 0.000 0.454 34 L N -0.881 120.384 121.223 0.071 0.000 2.072 34 L HA -0.130 4.210 4.340 0.000 0.000 0.205 34 L C 2.529 179.454 176.870 0.093 0.000 1.079 34 L CA 0.949 55.844 54.840 0.091 0.000 0.752 34 L CB -0.639 41.476 42.059 0.093 0.000 0.906 34 L HN 0.266 nan 8.230 nan 0.000 0.436 35 V N 0.486 120.438 119.914 0.062 0.000 2.220 35 V HA -0.326 3.794 4.120 0.000 0.000 0.246 35 V C 3.060 179.198 176.094 0.073 0.000 1.049 35 V CA 2.508 64.841 62.300 0.056 0.000 1.003 35 V CB -1.386 30.455 31.823 0.030 0.000 0.634 35 V HN 0.605 nan 8.190 nan 0.000 0.444 36 E N -0.037 120.198 120.200 0.058 0.000 2.147 36 E HA -0.265 4.085 4.350 0.000 0.000 0.199 36 E C 1.893 178.531 176.600 0.064 0.000 1.005 36 E CA 2.188 58.620 56.400 0.053 0.000 0.810 36 E CB -0.668 29.056 29.700 0.041 0.000 0.736 36 E HN 0.683 nan 8.360 nan 0.000 0.460 37 I N -0.218 120.398 120.570 0.077 0.000 2.130 37 I HA -0.223 3.948 4.170 0.000 0.000 0.232 37 I C 2.743 178.929 176.117 0.115 0.000 1.064 37 I CA 1.101 62.451 61.300 0.083 0.000 1.338 37 I CB -0.629 37.425 38.000 0.089 0.000 1.084 37 I HN 0.379 nan 8.210 nan 0.000 0.404 38 C N 0.817 120.224 119.300 0.179 0.000 2.392 38 C HA -0.225 4.235 4.460 0.000 0.000 0.276 38 C C 3.009 178.122 174.990 0.205 0.000 1.212 38 C CA 1.683 60.862 59.018 0.268 0.000 1.791 38 C CB -1.397 26.637 27.740 0.491 0.000 2.063 38 C HN 0.581 nan 8.230 nan 0.000 0.481 39 T N 0.083 114.739 114.554 0.170 0.000 2.580 39 T HA -0.225 4.125 4.350 0.000 0.000 0.265 39 T C 1.840 176.581 174.700 0.068 0.000 1.063 39 T CA 1.637 63.808 62.100 0.119 0.000 1.170 39 T CB -0.344 68.576 68.868 0.087 0.000 0.863 39 T HN 0.592 nan 8.240 nan 0.000 0.418 40 E N 0.427 120.660 120.200 0.054 0.000 2.110 40 E HA -0.077 4.273 4.350 0.000 0.000 0.193 40 E C 2.157 178.774 176.600 0.027 0.000 0.988 40 E CA 0.799 57.218 56.400 0.032 0.000 0.804 40 E CB -0.271 29.442 29.700 0.022 0.000 0.745 40 E HN 0.463 nan 8.360 nan 0.000 0.458 41 M N 0.492 120.118 119.600 0.044 0.000 2.213 41 M HA -0.175 4.305 4.480 0.000 0.000 0.263 41 M C 2.132 178.445 176.300 0.022 0.000 1.062 41 M CA 1.403 56.735 55.300 0.053 0.000 1.105 41 M CB 0.061 32.725 32.600 0.106 0.000 1.385 41 M HN -0.020 nan 8.290 nan 0.000 0.417 42 E N 0.070 120.257 120.200 -0.022 0.000 2.122 42 E HA -0.207 4.143 4.350 0.000 0.000 0.190 42 E C 1.871 178.446 176.600 -0.041 0.000 0.977 42 E CA 0.850 57.191 56.400 -0.098 0.000 0.820 42 E CB -0.028 29.570 29.700 -0.170 0.000 0.770 42 E HN 0.469 nan 8.360 nan 0.000 0.462 43 K N 0.581 120.977 120.400 -0.008 0.000 2.152 43 K HA -0.145 4.175 4.320 0.000 0.000 0.206 43 K C 1.663 178.267 176.600 0.005 0.000 1.048 43 K CA 1.437 57.724 56.287 0.001 0.000 0.933 43 K CB 0.107 32.614 32.500 0.011 0.000 0.721 43 K HN 0.103 nan 8.250 nan 0.000 0.447 44 E N -0.967 119.242 120.200 0.014 0.000 2.478 44 E HA -0.058 4.292 4.350 0.000 0.000 0.198 44 E C 1.212 177.832 176.600 0.034 0.000 1.046 44 E CA 0.922 57.338 56.400 0.027 0.000 0.870 44 E CB 0.275 29.998 29.700 0.039 0.000 0.818 44 E HN 0.617 nan 8.360 nan 0.000 0.527 45 G N 1.800 110.610 108.800 0.016 0.000 2.175 45 G HA2 -0.357 3.603 3.960 0.000 0.000 0.244 45 G HA3 -0.357 3.603 3.960 0.000 0.000 0.244 45 G C 1.022 175.938 174.900 0.027 0.000 0.982 45 G CA 0.551 45.658 45.100 0.011 0.000 0.641 45 G HN 0.310 nan 8.290 nan 0.000 0.527 46 K N -0.377 120.062 120.400 0.067 0.000 2.360 46 K HA 0.250 4.571 4.320 0.000 0.000 0.201 46 K C 1.011 177.633 176.600 0.037 0.000 1.046 46 K CA 0.968 57.332 56.287 0.127 0.000 0.945 46 K CB 0.166 32.839 32.500 0.288 0.000 0.750 46 K HN 0.576 nan 8.250 nan 0.000 0.464 47 I N -0.835 119.687 120.570 -0.079 0.000 2.969 47 I HA 0.175 4.345 4.170 0.000 0.000 0.307 47 I C -0.906 175.048 176.117 -0.272 0.000 1.149 47 I CA -0.901 60.257 61.300 -0.237 0.000 1.008 47 I CB 2.640 40.371 38.000 -0.449 0.000 1.232 47 I HN -0.290 nan 8.210 nan 0.000 0.435 48 S N 2.196 117.713 115.700 -0.305 0.000 2.614 48 S HA 0.293 4.763 4.470 0.000 0.000 0.275 48 S C -0.947 173.527 174.600 -0.210 0.000 1.161 48 S CA -0.959 57.105 58.200 -0.226 0.000 0.969 48 S CB 1.660 64.794 63.200 -0.108 0.000 1.059 48 S HN 0.604 nan 8.310 nan 0.000 0.482 49 K N 2.318 122.647 120.400 -0.120 0.000 2.416 49 K HA 0.517 4.837 4.320 0.000 0.000 0.283 49 K C -0.615 176.012 176.600 0.045 0.000 1.037 49 K CA -0.059 56.309 56.287 0.135 0.000 0.995 49 K CB 0.550 33.239 32.500 0.314 0.000 0.938 49 K HN 0.628 nan 8.250 nan 0.000 0.475 50 I N 3.371 123.960 120.570 0.032 0.000 2.563 50 I HA 0.240 4.410 4.170 0.000 0.000 0.285 50 I C 0.073 176.159 176.117 -0.052 0.000 1.123 50 I CA -0.420 60.864 61.300 -0.025 0.000 1.059 50 I CB 1.635 39.607 38.000 -0.047 0.000 1.229 50 I HN 0.920 nan 8.210 nan 0.000 0.442 51 G N 7.270 116.034 108.800 -0.060 0.000 2.599 51 G HA2 0.180 4.140 3.960 0.000 0.000 0.210 51 G HA3 0.180 4.140 3.960 0.000 0.000 0.210 51 G C -1.013 173.838 174.900 -0.081 0.000 1.177 51 G CA 0.513 45.565 45.100 -0.080 0.000 0.835 51 G HN 0.492 nan 8.290 nan 0.000 0.575 52 P HA 0.014 nan 4.420 nan 0.000 0.209 52 P C 1.038 178.278 177.300 -0.100 0.000 1.203 52 P CA 0.890 63.943 63.100 -0.078 0.000 0.916 52 P CB -0.128 31.533 31.700 -0.065 0.000 0.763 53 E N -0.326 119.814 120.200 -0.099 0.000 2.526 53 E HA -0.120 4.230 4.350 0.000 0.000 0.205 53 E C 0.385 176.877 176.600 -0.179 0.000 1.104 53 E CA 0.224 56.551 56.400 -0.122 0.000 0.899 53 E CB -0.516 29.124 29.700 -0.100 0.000 0.838 53 E HN 0.129 nan 8.360 nan 0.000 0.564 54 N N 0.199 118.787 118.700 -0.186 0.000 2.746 54 N HA 0.088 4.828 4.740 0.000 0.000 0.250 54 N C -2.020 173.334 175.510 -0.260 0.000 1.146 54 N CA -2.212 50.679 53.050 -0.265 0.000 0.828 54 N CB 1.033 39.405 38.487 -0.192 0.000 1.158 54 N HN -0.218 nan 8.380 nan 0.000 0.519 55 P HA -0.131 nan 4.420 nan 0.000 0.216 55 P C 0.107 177.360 177.300 -0.078 0.000 1.150 55 P CA 1.207 64.168 63.100 -0.232 0.000 0.843 55 P CB 0.012 31.543 31.700 -0.281 0.000 0.787 56 Y N 1.479 121.773 120.300 -0.010 0.000 2.385 56 Y HA 0.275 4.825 4.550 0.000 0.000 0.346 56 Y C 1.734 177.666 175.900 0.053 0.000 1.270 56 Y CA -0.845 57.274 58.100 0.033 0.000 1.472 56 Y CB -0.354 38.133 38.460 0.045 0.000 1.354 56 Y HN 0.174 nan 8.280 nan 0.000 0.611 57 N N -1.699 117.171 118.700 0.284 0.000 3.951 57 N HA 0.209 4.949 4.740 0.000 0.000 0.222 57 N C -1.780 173.868 175.510 0.230 0.000 1.352 57 N CA -0.380 52.811 53.050 0.234 0.000 0.852 57 N CB 1.450 40.022 38.487 0.141 0.000 1.444 57 N HN 0.683 nan 8.380 nan 0.000 0.473 58 T N -2.621 112.075 114.554 0.237 0.000 2.865 58 T HA 0.655 5.005 4.350 0.000 0.000 0.294 58 T C -3.197 171.512 174.700 0.015 0.000 1.119 58 T CA -1.450 60.738 62.100 0.145 0.000 1.007 58 T CB 2.014 70.987 68.868 0.176 0.000 1.225 58 T HN 0.416 nan 8.240 nan 0.000 0.515 59 P HA 0.364 nan 4.420 nan 0.000 0.276 59 P C -0.748 176.083 177.300 -0.781 0.000 1.235 59 P CA -0.403 62.444 63.100 -0.421 0.000 0.772 59 P CB 0.799 32.261 31.700 -0.396 0.000 0.871 60 V N 4.129 123.637 119.914 -0.677 0.000 2.357 60 V HA 0.455 4.575 4.120 0.000 0.000 0.284 60 V C -0.151 175.656 176.094 -0.479 0.000 1.018 60 V CA -0.402 61.612 62.300 -0.478 0.000 0.841 60 V CB 0.163 31.967 31.823 -0.033 0.000 0.991 60 V HN 0.294 nan 8.190 nan 0.000 0.437 61 F N 2.078 122.031 119.950 0.004 0.000 2.561 61 F HA 0.915 5.442 4.527 0.000 0.000 0.321 61 F C 0.292 176.100 175.800 0.013 0.000 1.065 61 F CA -1.289 56.718 58.000 0.012 0.000 0.934 61 F CB 2.255 41.250 39.000 -0.008 0.000 1.215 61 F HN 0.630 nan 8.300 nan 0.000 0.471 62 A N 3.241 126.198 122.820 0.228 0.000 2.429 62 A HA 0.837 5.157 4.320 0.000 0.000 0.289 62 A C -1.499 176.140 177.584 0.092 0.000 1.043 62 A CA -0.404 51.711 52.037 0.130 0.000 0.722 62 A CB 0.851 19.916 19.000 0.108 0.000 1.243 62 A HN 0.544 nan 8.150 nan 0.000 0.415 63 I N 0.403 121.012 120.570 0.066 0.000 3.263 63 I HA 0.394 4.564 4.170 0.000 0.000 0.314 63 I C -0.493 175.643 176.117 0.032 0.000 1.269 63 I CA -0.705 60.618 61.300 0.038 0.000 0.942 63 I CB 2.292 40.301 38.000 0.015 0.000 1.305 63 I HN 0.745 nan 8.210 nan 0.000 0.474 64 K N 1.778 122.190 120.400 0.021 0.000 2.095 64 K HA 0.734 5.054 4.320 0.000 0.000 0.252 64 K C -1.015 175.593 176.600 0.013 0.000 0.977 64 K CA -0.774 55.524 56.287 0.018 0.000 0.900 64 K CB 1.556 34.065 32.500 0.015 0.000 1.060 64 K HN 0.402 nan 8.250 nan 0.000 0.449 65 K N 0.548 120.957 120.400 0.015 0.000 2.589 65 K HA 0.272 4.592 4.320 0.000 0.000 0.265 65 K C -1.422 175.187 176.600 0.014 0.000 0.935 65 K CA -0.830 55.464 56.287 0.012 0.000 0.850 65 K CB 1.887 34.395 32.500 0.014 0.000 1.372 65 K HN 0.590 nan 8.250 nan 0.000 0.420 66 K N 1.585 121.992 120.400 0.012 0.000 3.974 66 K HA -0.155 4.165 4.320 0.000 0.000 0.280 66 K C -0.519 176.090 176.600 0.015 0.000 0.949 66 K CA 1.412 57.707 56.287 0.013 0.000 0.817 66 K CB -2.612 29.899 32.500 0.017 0.000 1.535 66 K HN 0.895 nan 8.250 nan 0.000 0.444 67 D N -1.079 119.328 120.400 0.012 0.000 2.802 67 D HA -0.147 4.493 4.640 0.000 0.000 0.229 67 D C 0.386 176.695 176.300 0.014 0.000 1.203 67 D CA 1.805 55.812 54.000 0.013 0.000 0.712 67 D CB -1.565 39.243 40.800 0.013 0.000 0.973 67 D HN 1.842 nan 8.370 nan 0.000 0.407 68 S N -2.098 113.611 115.700 0.014 0.000 2.634 68 S HA 0.748 5.218 4.470 0.000 0.000 0.296 68 S C 1.022 175.630 174.600 0.013 0.000 1.104 68 S CA -0.032 58.177 58.200 0.014 0.000 0.920 68 S CB 2.404 65.613 63.200 0.016 0.000 1.111 68 S HN 0.169 nan 8.310 nan 0.000 0.493 69 T N -1.667 112.895 114.554 0.013 0.000 3.014 69 T HA 0.353 4.703 4.350 0.000 0.000 0.250 69 T C 0.222 174.930 174.700 0.013 0.000 1.060 69 T CA -0.046 62.062 62.100 0.012 0.000 1.040 69 T CB -0.313 68.561 68.868 0.011 0.000 0.971 69 T HN 0.595 nan 8.240 nan 0.000 0.497 70 K N 0.397 120.805 120.400 0.013 0.000 2.156 70 K HA 0.525 4.846 4.320 0.000 0.000 0.254 70 K C 0.374 176.985 176.600 0.018 0.000 0.950 70 K CA -0.950 55.345 56.287 0.014 0.000 0.849 70 K CB 0.948 33.454 32.500 0.010 0.000 1.100 70 K HN 0.463 nan 8.250 nan 0.000 0.434 71 W N 0.779 122.092 121.300 0.022 0.000 2.124 71 W HA 0.419 5.079 4.660 0.000 0.000 0.356 71 W C 0.543 177.081 176.519 0.032 0.000 1.302 71 W CA 0.005 57.368 57.345 0.029 0.000 1.293 71 W CB -0.388 29.093 29.460 0.035 0.000 1.199 71 W HN 0.865 nan 8.180 nan 0.000 0.606 72 R N 1.360 121.884 120.500 0.040 0.000 2.912 72 R HA 0.802 5.142 4.340 0.000 0.000 0.262 72 R C -0.471 175.867 176.300 0.063 0.000 1.057 72 R CA -0.587 55.541 56.100 0.046 0.000 0.981 72 R CB 1.538 31.863 30.300 0.043 0.000 1.201 72 R HN 0.959 nan 8.270 nan 0.000 0.484 73 K N 1.473 121.917 120.400 0.073 0.000 2.579 73 K HA 0.456 4.776 4.320 0.000 0.000 0.250 73 K C -1.690 174.956 176.600 0.077 0.000 0.952 73 K CA -0.697 55.641 56.287 0.084 0.000 0.857 73 K CB 1.377 33.939 32.500 0.103 0.000 1.123 73 K HN 0.374 nan 8.250 nan 0.000 0.433 74 L N 6.041 127.310 121.223 0.077 0.000 2.321 74 L HA 0.312 4.652 4.340 0.000 0.000 0.272 74 L C -1.346 175.531 176.870 0.011 0.000 1.050 74 L CA -0.322 54.558 54.840 0.068 0.000 0.893 74 L CB 1.237 43.359 42.059 0.105 0.000 1.272 74 L HN 0.356 nan 8.230 nan 0.000 0.435 75 V N 3.358 123.196 119.914 -0.127 0.000 2.204 75 V HA 0.239 4.359 4.120 0.000 0.000 0.264 75 V C -0.231 175.480 176.094 -0.639 0.000 1.106 75 V CA -0.662 61.378 62.300 -0.433 0.000 0.947 75 V CB 0.724 32.214 31.823 -0.556 0.000 1.164 75 V HN 0.599 nan 8.190 nan 0.000 0.461 76 D N 2.847 123.052 120.400 -0.325 0.000 2.336 76 D HA 0.310 4.950 4.640 0.000 0.000 0.249 76 D C -0.210 175.983 176.300 -0.179 0.000 1.213 76 D CA -0.213 53.692 54.000 -0.159 0.000 0.870 76 D CB 0.491 41.288 40.800 -0.005 0.000 1.076 76 D HN 0.357 nan 8.370 nan 0.000 0.483 77 F N 4.101 124.082 119.950 0.051 0.000 2.541 77 F HA 0.312 4.839 4.527 0.000 0.000 0.351 77 F C 1.664 177.524 175.800 0.100 0.000 1.209 77 F CA -0.703 57.354 58.000 0.095 0.000 1.277 77 F CB 0.228 39.315 39.000 0.145 0.000 1.632 77 F HN 0.249 nan 8.300 nan 0.000 0.619 78 R N 0.960 121.578 120.500 0.198 0.000 2.080 78 R HA -0.074 4.266 4.340 0.000 0.000 0.222 78 R C 2.185 178.569 176.300 0.140 0.000 1.107 78 R CA 0.885 57.070 56.100 0.142 0.000 0.980 78 R CB -0.277 30.079 30.300 0.093 0.000 0.879 78 R HN 0.471 nan 8.270 nan 0.000 0.439 79 E N 0.931 121.216 120.200 0.142 0.000 2.085 79 E HA -0.172 4.178 4.350 0.000 0.000 0.194 79 E C 1.806 178.489 176.600 0.139 0.000 0.994 79 E CA 1.145 57.617 56.400 0.121 0.000 0.801 79 E CB -0.480 29.289 29.700 0.115 0.000 0.743 79 E HN 0.133 nan 8.360 nan 0.000 0.453 80 L N 0.891 122.241 121.223 0.212 0.000 2.083 80 L HA -0.084 4.256 4.340 0.000 0.000 0.209 80 L C 1.599 178.620 176.870 0.253 0.000 1.083 80 L CA 1.751 56.742 54.840 0.251 0.000 0.752 80 L CB -0.784 41.501 42.059 0.377 0.000 0.899 80 L HN 0.114 nan 8.230 nan 0.000 0.433 81 N N -0.288 118.548 118.700 0.226 0.000 2.364 81 N HA -0.138 4.602 4.740 0.000 0.000 0.183 81 N C 1.540 177.102 175.510 0.088 0.000 1.022 81 N CA 0.756 53.893 53.050 0.145 0.000 0.883 81 N CB -0.051 38.499 38.487 0.105 0.000 0.965 81 N HN 0.371 nan 8.380 nan 0.000 0.438 82 K N 0.367 120.817 120.400 0.084 0.000 2.262 82 K HA 0.131 4.451 4.320 0.000 0.000 0.200 82 K C 1.618 178.236 176.600 0.030 0.000 1.049 82 K CA 0.471 56.786 56.287 0.045 0.000 0.979 82 K CB 0.221 32.746 32.500 0.042 0.000 0.773 82 K HN 0.251 nan 8.250 nan 0.000 0.474 83 R N 0.262 120.787 120.500 0.043 0.000 2.265 83 R HA 0.114 4.454 4.340 0.000 0.000 0.194 83 R C 0.480 176.789 176.300 0.015 0.000 0.931 83 R CA 0.136 56.237 56.100 0.002 0.000 1.032 83 R CB 0.161 30.439 30.300 -0.037 0.000 0.980 83 R HN -0.068 nan 8.270 nan 0.000 0.497 84 T N 2.419 117.036 114.554 0.105 0.000 2.898 84 T HA 0.022 4.372 4.350 0.000 0.000 0.301 84 T C 0.325 175.017 174.700 -0.015 0.000 1.049 84 T CA -0.358 61.851 62.100 0.181 0.000 1.095 84 T CB 1.129 70.223 68.868 0.376 0.000 0.976 84 T HN 0.229 nan 8.240 nan 0.000 0.539 85 Q N 2.113 121.848 119.800 -0.108 0.000 2.584 85 Q HA 0.158 4.498 4.340 0.000 0.000 0.218 85 Q C -0.841 174.828 176.000 -0.551 0.000 1.079 85 Q CA -0.479 55.147 55.803 -0.295 0.000 1.008 85 Q CB 0.472 29.025 28.738 -0.309 0.000 1.267 85 Q HN 0.449 nan 8.270 nan 0.000 0.586 86 D N 0.334 120.465 120.400 -0.447 0.000 2.225 86 D HA 0.349 4.989 4.640 0.000 0.000 0.249 86 D C -0.791 175.190 176.300 -0.532 0.000 1.052 86 D CA -0.016 53.754 54.000 -0.384 0.000 0.909 86 D CB 0.630 41.342 40.800 -0.147 0.000 1.186 86 D HN 0.335 nan 8.370 nan 0.000 0.431 87 F N -0.320 119.607 119.950 -0.038 0.000 2.594 87 F HA 0.270 4.797 4.527 0.000 0.000 0.335 87 F C 0.409 176.272 175.800 0.105 0.000 1.058 87 F CA -1.287 56.716 58.000 0.004 0.000 0.981 87 F CB 1.088 40.034 39.000 -0.089 0.000 1.289 87 F HN 0.280 nan 8.300 nan 0.000 0.490 88 W N 3.537 124.919 121.300 0.136 0.000 2.655 88 W HA 0.111 4.771 4.660 0.000 0.000 0.333 88 W C -0.422 176.116 176.519 0.033 0.000 1.382 88 W CA -0.483 56.894 57.345 0.053 0.000 1.398 88 W CB 0.324 29.803 29.460 0.032 0.000 1.481 88 W HN 0.616 nan 8.180 nan 0.000 0.526 89 E N 4.199 124.192 120.200 -0.345 0.000 2.905 89 E HA -0.140 4.210 4.350 0.000 0.000 0.240 89 E C 1.522 177.839 176.600 -0.472 0.000 0.990 89 E CA 0.068 56.234 56.400 -0.389 0.000 0.954 89 E CB 0.631 30.084 29.700 -0.413 0.000 0.908 89 E HN 0.555 nan 8.360 nan 0.000 0.532 90 V N 1.816 121.578 119.914 -0.253 0.000 2.236 90 V HA -0.322 3.798 4.120 0.000 0.000 0.255 90 V C 0.696 176.672 176.094 -0.197 0.000 1.068 90 V CA 1.576 63.763 62.300 -0.189 0.000 1.044 90 V CB -0.368 31.368 31.823 -0.145 0.000 0.653 90 V HN 0.610 nan 8.190 nan 0.000 0.448 91 Q N -0.089 119.606 119.800 -0.175 0.000 2.533 91 Q HA 0.476 4.816 4.340 0.000 0.000 0.251 91 Q C -0.024 175.908 176.000 -0.113 0.000 0.966 91 Q CA -0.402 55.349 55.803 -0.086 0.000 0.714 91 Q CB 1.439 30.221 28.738 0.074 0.000 1.284 91 Q HN 0.506 nan 8.270 nan 0.000 0.478 92 L N 0.602 121.704 121.223 -0.200 0.000 2.610 92 L HA 0.291 4.631 4.340 0.000 0.000 0.232 92 L C 0.400 177.221 176.870 -0.081 0.000 1.149 92 L CA 0.895 55.622 54.840 -0.189 0.000 0.872 92 L CB 0.231 42.109 42.059 -0.302 0.000 0.992 92 L HN 0.505 nan 8.230 nan 0.000 0.447 93 G N -0.786 107.997 108.800 -0.028 0.000 2.714 93 G HA2 0.467 4.427 3.960 0.000 0.000 0.292 93 G HA3 0.467 4.427 3.960 0.000 0.000 0.292 93 G C -1.459 173.468 174.900 0.044 0.000 1.308 93 G CA -0.516 44.584 45.100 0.001 0.000 0.964 93 G HN 0.039 nan 8.290 nan 0.000 0.484 94 I N 1.114 121.697 120.570 0.021 0.000 2.411 94 I HA 0.448 4.618 4.170 0.000 0.000 0.284 94 I C -2.399 173.706 176.117 -0.021 0.000 1.012 94 I CA -2.204 59.107 61.300 0.018 0.000 1.119 94 I CB 1.958 39.967 38.000 0.015 0.000 1.261 94 I HN 0.127 nan 8.210 nan 0.000 0.448 95 P HA 0.198 nan 4.420 nan 0.000 0.271 95 P C -1.047 176.141 177.300 -0.187 0.000 1.220 95 P CA 0.235 63.301 63.100 -0.057 0.000 0.768 95 P CB 0.245 31.922 31.700 -0.038 0.000 0.848 96 H N 4.754 123.599 119.070 -0.376 0.000 2.504 96 H HA 0.176 4.732 4.556 0.000 0.000 0.322 96 H C -1.730 173.202 175.328 -0.661 0.000 1.055 96 H CA -2.097 53.601 56.048 -0.583 0.000 1.231 96 H CB 1.630 31.070 29.762 -0.538 0.000 1.417 96 H HN 0.216 nan 8.280 nan 0.000 0.472 97 P HA -0.226 nan 4.420 nan 0.000 0.218 97 P C 1.261 178.050 177.300 -0.851 0.000 1.154 97 P CA 2.255 64.745 63.100 -1.017 0.000 0.872 97 P CB 0.072 30.948 31.700 -1.374 0.000 0.790 98 A N -0.582 121.823 122.820 -0.692 0.000 2.093 98 A HA -0.130 4.190 4.320 0.000 0.000 0.222 98 A C 2.126 179.871 177.584 0.268 0.000 1.162 98 A CA 1.952 53.947 52.037 -0.068 0.000 0.655 98 A CB -1.651 17.551 19.000 0.336 0.000 0.805 98 A HN 0.345 nan 8.150 nan 0.000 0.461 99 G N -0.989 107.791 108.800 -0.034 0.000 3.448 99 G HA2 0.458 4.418 3.960 0.000 0.000 0.261 99 G HA3 0.458 4.418 3.960 0.000 0.000 0.261 99 G C 0.116 175.040 174.900 0.039 0.000 1.173 99 G CA -0.330 44.781 45.100 0.018 0.000 0.835 99 G HN 0.350 nan 8.290 nan 0.000 0.534 100 L N -0.027 121.187 121.223 -0.015 0.000 2.334 100 L HA 0.518 4.859 4.340 0.000 0.000 0.273 100 L C -0.244 176.778 176.870 0.254 0.000 1.013 100 L CA -1.052 53.802 54.840 0.025 0.000 0.816 100 L CB 2.139 44.109 42.059 -0.149 0.000 1.278 100 L HN -0.070 nan 8.230 nan 0.000 0.431 101 K N 1.657 122.216 120.400 0.264 0.000 2.118 101 K HA 0.295 4.615 4.320 0.000 0.000 0.267 101 K C -0.470 176.307 176.600 0.296 0.000 0.991 101 K CA -0.845 55.606 56.287 0.273 0.000 0.916 101 K CB 1.335 33.930 32.500 0.158 0.000 1.041 101 K HN 0.479 nan 8.250 nan 0.000 0.455 102 K N 2.315 122.841 120.400 0.210 0.000 2.401 102 K HA 0.101 4.421 4.320 0.000 0.000 0.278 102 K C -0.492 176.129 176.600 0.035 0.000 1.018 102 K CA -0.121 56.182 56.287 0.027 0.000 0.981 102 K CB 0.565 33.013 32.500 -0.086 0.000 0.933 102 K HN 0.200 nan 8.250 nan 0.000 0.477 103 K N 3.464 123.875 120.400 0.018 0.000 2.259 103 K HA 0.160 4.480 4.320 0.000 0.000 0.252 103 K C 0.126 176.717 176.600 -0.015 0.000 0.936 103 K CA -0.800 55.502 56.287 0.024 0.000 0.810 103 K CB 1.733 34.265 32.500 0.053 0.000 1.143 103 K HN 0.558 nan 8.250 nan 0.000 0.427 104 K N 0.319 120.708 120.400 -0.019 0.000 2.211 104 K HA -0.067 4.253 4.320 0.000 0.000 0.204 104 K C 0.662 177.206 176.600 -0.093 0.000 1.047 104 K CA 0.992 57.255 56.287 -0.040 0.000 0.935 104 K CB 0.177 32.665 32.500 -0.020 0.000 0.728 104 K HN 0.466 nan 8.250 nan 0.000 0.452 105 S N -0.626 114.963 115.700 -0.185 0.000 2.537 105 S HA 0.512 4.982 4.470 0.000 0.000 0.271 105 S C -1.678 172.700 174.600 -0.370 0.000 1.148 105 S CA -0.932 57.063 58.200 -0.342 0.000 0.868 105 S CB 1.582 64.411 63.200 -0.618 0.000 1.115 105 S HN -0.145 nan 8.310 nan 0.000 0.461 106 V N 2.039 121.870 119.914 -0.139 0.000 3.147 106 V HA 0.882 5.002 4.120 0.000 0.000 0.306 106 V C -0.193 175.927 176.094 0.043 0.000 1.209 106 V CA -0.403 61.891 62.300 -0.010 0.000 1.023 106 V CB 2.252 34.067 31.823 -0.012 0.000 1.059 106 V HN 0.982 nan 8.190 nan 0.000 0.435 107 T N 1.350 115.869 114.554 -0.059 0.000 2.816 107 T HA 0.747 5.097 4.350 0.000 0.000 0.299 107 T C -2.112 172.359 174.700 -0.381 0.000 1.230 107 T CA -0.345 61.702 62.100 -0.088 0.000 1.007 107 T CB 1.969 70.878 68.868 0.068 0.000 1.289 107 T HN 0.481 nan 8.240 nan 0.000 0.508 108 V N 2.932 122.642 119.914 -0.341 0.000 2.531 108 V HA 0.558 4.678 4.120 0.000 0.000 0.301 108 V C -0.692 175.265 176.094 -0.229 0.000 1.034 108 V CA -0.702 61.279 62.300 -0.532 0.000 0.865 108 V CB 1.464 32.853 31.823 -0.724 0.000 0.995 108 V HN 0.765 nan 8.190 nan 0.000 0.424 109 L N 3.951 125.064 121.223 -0.184 0.000 2.283 109 L HA 0.419 4.759 4.340 0.000 0.000 0.281 109 L C 0.046 176.885 176.870 -0.052 0.000 1.033 109 L CA -0.362 54.428 54.840 -0.082 0.000 0.848 109 L CB 1.149 43.171 42.059 -0.061 0.000 1.226 109 L HN 0.635 nan 8.230 nan 0.000 0.429 110 D N 2.702 123.082 120.400 -0.032 0.000 2.412 110 D HA 0.077 4.717 4.640 0.000 0.000 0.257 110 D C -0.235 176.058 176.300 -0.012 0.000 1.217 110 D CA 0.179 54.174 54.000 -0.009 0.000 0.897 110 D CB 0.852 41.655 40.800 0.004 0.000 1.132 110 D HN 0.142 nan 8.370 nan 0.000 0.493 111 V N 4.940 124.842 119.914 -0.019 0.000 2.435 111 V HA 0.330 4.450 4.120 0.000 0.000 0.263 111 V C 1.436 177.460 176.094 -0.116 0.000 1.087 111 V CA -0.125 62.152 62.300 -0.038 0.000 1.253 111 V CB 0.807 32.631 31.823 0.003 0.000 1.462 111 V HN 0.788 nan 8.190 nan 0.000 0.547 112 G N 0.614 109.369 108.800 -0.074 0.000 2.453 112 G HA2 -0.072 3.888 3.960 0.000 0.000 0.215 112 G HA3 -0.072 3.888 3.960 0.000 0.000 0.215 112 G C 0.585 175.448 174.900 -0.062 0.000 1.147 112 G CA 0.223 45.282 45.100 -0.068 0.000 0.802 112 G HN 0.567 nan 8.290 nan 0.000 0.535 113 D N 0.896 121.269 120.400 -0.046 0.000 2.881 113 D HA 0.470 5.110 4.640 0.000 0.000 0.240 113 D C 1.822 178.113 176.300 -0.015 0.000 1.249 113 D CA 0.273 54.278 54.000 0.009 0.000 0.839 113 D CB 0.530 41.328 40.800 -0.004 0.000 1.042 113 D HN 0.211 nan 8.370 nan 0.000 0.475 114 A N 0.041 122.702 122.820 -0.266 0.000 1.829 114 A HA -0.247 4.074 4.320 0.000 0.000 0.216 114 A C 1.553 178.805 177.584 -0.553 0.000 1.207 114 A CA 1.271 52.926 52.037 -0.636 0.000 0.622 114 A CB -1.024 17.029 19.000 -1.579 0.000 0.846 114 A HN 0.335 nan 8.150 nan 0.000 0.447 115 Y N -1.528 118.469 120.300 -0.505 0.000 2.207 115 Y HA -0.160 4.390 4.550 0.000 0.000 0.287 115 Y C 2.119 178.002 175.900 -0.028 0.000 1.156 115 Y CA 1.194 59.152 58.100 -0.236 0.000 1.182 115 Y CB -0.938 37.358 38.460 -0.273 0.000 0.979 115 Y HN 0.290 nan 8.280 nan 0.000 0.521 116 F N 0.126 120.149 119.950 0.121 0.000 2.494 116 F HA -0.194 4.333 4.527 0.000 0.000 0.298 116 F C 2.381 178.249 175.800 0.114 0.000 1.106 116 F CA 1.329 59.403 58.000 0.124 0.000 1.452 116 F CB -0.227 38.836 39.000 0.105 0.000 1.085 116 F HN 0.153 nan 8.300 nan 0.000 0.569 117 S N -1.781 114.076 115.700 0.260 0.000 2.497 117 S HA 0.125 4.595 4.470 0.000 0.000 0.218 117 S C 0.466 175.176 174.600 0.185 0.000 1.023 117 S CA -0.184 58.139 58.200 0.205 0.000 0.913 117 S CB -0.471 62.837 63.200 0.181 0.000 0.800 117 S HN -0.131 nan 8.310 nan 0.000 0.505 118 V N 5.571 125.611 119.914 0.209 0.000 2.427 118 V HA 0.361 4.481 4.120 0.000 0.000 0.268 118 V C -2.225 173.945 176.094 0.126 0.000 1.046 118 V CA -1.924 60.485 62.300 0.183 0.000 0.970 118 V CB 0.529 32.502 31.823 0.251 0.000 1.001 118 V HN 0.366 nan 8.190 nan 0.000 0.476 119 P HA 0.162 nan 4.420 nan 0.000 0.276 119 P C -0.498 176.830 177.300 0.047 0.000 1.230 119 P CA -0.398 62.744 63.100 0.069 0.000 0.776 119 P CB 1.377 33.118 31.700 0.069 0.000 0.888 120 L N 2.960 124.188 121.223 0.007 0.000 2.456 120 L HA 0.325 4.665 4.340 0.000 0.000 0.257 120 L C 0.349 177.219 176.870 0.001 0.000 1.162 120 L CA -0.275 54.538 54.840 -0.045 0.000 0.808 120 L CB -0.209 41.736 42.059 -0.190 0.000 1.136 120 L HN 0.336 nan 8.230 nan 0.000 0.466 121 D N 1.022 121.433 120.400 0.017 0.000 2.571 121 D HA -0.114 4.526 4.640 0.000 0.000 0.231 121 D C 1.018 177.372 176.300 0.090 0.000 1.133 121 D CA 0.652 54.703 54.000 0.084 0.000 0.862 121 D CB 0.810 41.701 40.800 0.152 0.000 1.179 121 D HN 0.666 nan 8.370 nan 0.000 0.474 122 E N 2.136 122.384 120.200 0.080 0.000 2.209 122 E HA -0.211 4.139 4.350 0.000 0.000 0.196 122 E C 0.713 177.356 176.600 0.072 0.000 0.993 122 E CA 1.662 58.100 56.400 0.063 0.000 0.819 122 E CB 0.131 29.861 29.700 0.051 0.000 0.745 122 E HN 0.541 nan 8.360 nan 0.000 0.477 123 D N -1.139 119.333 120.400 0.119 0.000 2.214 123 D HA -0.045 4.595 4.640 0.000 0.000 0.217 123 D C 1.392 177.806 176.300 0.191 0.000 0.973 123 D CA 0.561 54.641 54.000 0.134 0.000 0.880 123 D CB -0.595 40.310 40.800 0.174 0.000 1.031 123 D HN 0.184 nan 8.370 nan 0.000 0.468 124 F N 2.302 122.353 119.950 0.168 0.000 2.236 124 F HA -0.167 4.360 4.527 0.000 0.000 0.302 124 F C 2.112 177.953 175.800 0.069 0.000 1.073 124 F CA 1.174 59.339 58.000 0.275 0.000 1.336 124 F CB 0.035 39.073 39.000 0.064 0.000 1.040 124 F HN -0.143 nan 8.300 nan 0.000 0.507 125 R N 0.518 121.125 120.500 0.178 0.000 2.204 125 R HA -0.267 4.073 4.340 0.000 0.000 0.253 125 R C 2.219 178.535 176.300 0.026 0.000 1.172 125 R CA 2.009 58.150 56.100 0.068 0.000 0.994 125 R CB -0.541 29.778 30.300 0.032 0.000 0.874 125 R HN 0.469 nan 8.270 nan 0.000 0.462 126 K N -0.117 120.222 120.400 -0.102 0.000 1.985 126 K HA -0.171 4.149 4.320 0.000 0.000 0.210 126 K C 1.487 178.010 176.600 -0.128 0.000 1.047 126 K CA 1.665 57.819 56.287 -0.221 0.000 0.932 126 K CB -0.694 31.519 32.500 -0.479 0.000 0.716 126 K HN 0.192 nan 8.250 nan 0.000 0.439 127 Y N 2.912 123.211 120.300 -0.001 0.000 2.716 127 Y HA -0.073 4.477 4.550 0.000 0.000 0.302 127 Y C 1.056 177.004 175.900 0.080 0.000 1.160 127 Y CA 0.905 58.987 58.100 -0.031 0.000 1.362 127 Y CB -0.712 37.437 38.460 -0.519 0.000 0.988 127 Y HN 0.243 nan 8.280 nan 0.000 0.546 128 T N -1.715 112.968 114.554 0.216 0.000 3.243 128 T HA 0.754 5.104 4.350 0.000 0.000 0.245 128 T C 0.059 175.048 174.700 0.482 0.000 1.263 128 T CA -0.499 61.746 62.100 0.242 0.000 1.228 128 T CB -0.240 68.647 68.868 0.033 0.000 1.097 128 T HN 0.217 nan 8.240 nan 0.000 0.628 129 A N 2.333 125.425 122.820 0.453 0.000 2.312 129 A HA 0.903 5.223 4.320 0.000 0.000 0.328 129 A C -0.562 177.362 177.584 0.567 0.000 1.158 129 A CA -1.002 51.284 52.037 0.415 0.000 0.821 129 A CB 0.661 19.778 19.000 0.195 0.000 1.170 129 A HN 0.795 nan 8.150 nan 0.000 0.490 130 F N -1.338 118.717 119.950 0.175 0.000 2.591 130 F HA 0.688 5.215 4.527 0.000 0.000 0.309 130 F C -0.399 175.413 175.800 0.019 0.000 1.098 130 F CA -1.021 57.036 58.000 0.094 0.000 0.937 130 F CB 1.016 40.077 39.000 0.103 0.000 1.250 130 F HN 0.299 nan 8.300 nan 0.000 0.447 131 T N 3.842 118.430 114.554 0.058 0.000 2.767 131 T HA 0.556 4.906 4.350 0.000 0.000 0.284 131 T C -0.129 174.537 174.700 -0.057 0.000 0.973 131 T CA -0.232 61.832 62.100 -0.061 0.000 0.996 131 T CB 0.897 69.747 68.868 -0.031 0.000 0.927 131 T HN 0.582 nan 8.240 nan 0.000 0.456 132 I N 6.318 126.799 120.570 -0.149 0.000 2.306 132 I HA 0.277 4.448 4.170 0.000 0.000 0.288 132 I C -2.032 174.029 176.117 -0.093 0.000 1.036 132 I CA -2.212 59.018 61.300 -0.118 0.000 1.221 132 I CB 1.459 39.324 38.000 -0.225 0.000 1.385 132 I HN 0.390 nan 8.210 nan 0.000 0.472 133 P HA 0.547 nan 4.420 nan 0.000 0.297 133 P C -0.365 176.921 177.300 -0.022 0.000 1.307 133 P CA -0.287 62.794 63.100 -0.031 0.000 0.773 133 P CB 0.825 32.523 31.700 -0.003 0.000 1.265 134 S N -1.285 114.405 115.700 -0.017 0.000 3.081 134 S HA 0.798 5.268 4.470 0.000 0.000 0.316 134 S C -0.221 174.381 174.600 0.003 0.000 1.089 134 S CA -0.324 57.871 58.200 -0.009 0.000 0.897 134 S CB -0.060 63.129 63.200 -0.019 0.000 1.358 134 S HN 0.479 nan 8.310 nan 0.000 0.678 135 I N -0.393 120.179 120.570 0.003 0.000 2.437 135 I HA 0.700 4.870 4.170 0.000 0.000 0.298 135 I C 1.038 177.158 176.117 0.004 0.000 0.984 135 I CA 0.291 61.597 61.300 0.010 0.000 1.214 135 I CB -0.565 37.442 38.000 0.012 0.000 1.365 135 I HN 2.154 nan 8.210 nan 0.000 0.469 136 N N 2.581 121.286 118.700 0.009 0.000 2.754 136 N HA 0.124 4.864 4.740 0.000 0.000 0.248 136 N C 1.450 176.957 175.510 -0.005 0.000 1.093 136 N CA 2.161 55.214 53.050 0.005 0.000 0.699 136 N CB -2.203 36.286 38.487 0.004 0.000 1.016 136 N HN 2.939 nan 8.380 nan 0.000 0.552 137 N N -4.419 114.275 118.700 -0.010 0.000 2.828 137 N HA 0.263 5.003 4.740 0.000 0.000 0.248 137 N C 0.559 176.055 175.510 -0.024 0.000 1.044 137 N CA 2.449 55.485 53.050 -0.024 0.000 0.851 137 N CB -2.460 36.011 38.487 -0.026 0.000 1.136 137 N HN 2.710 nan 8.380 nan 0.000 0.572 138 E N -0.672 119.517 120.200 -0.019 0.000 2.081 138 E HA 0.820 5.170 4.350 0.000 0.000 0.276 138 E C 0.403 176.989 176.600 -0.024 0.000 0.950 138 E CA 0.519 56.907 56.400 -0.020 0.000 0.776 138 E CB 0.513 30.204 29.700 -0.015 0.000 1.094 138 E HN 2.189 nan 8.360 nan 0.000 0.402 139 T N 2.220 116.755 114.554 -0.032 0.000 4.328 139 T HA 0.514 4.864 4.350 0.000 0.000 0.356 139 T C -1.210 173.462 174.700 -0.046 0.000 0.889 139 T CA -0.180 61.897 62.100 -0.039 0.000 0.998 139 T CB 0.607 69.451 68.868 -0.040 0.000 1.122 139 T HN 0.252 nan 8.240 nan 0.000 0.467 140 P HA 0.298 nan 4.420 nan 0.000 0.218 140 P C 0.934 178.195 177.300 -0.064 0.000 1.149 140 P CA 1.585 64.654 63.100 -0.051 0.000 0.817 140 P CB 0.042 31.713 31.700 -0.049 0.000 0.785 141 G N 0.623 109.375 108.800 -0.079 0.000 2.551 141 G HA2 -0.075 3.885 3.960 0.000 0.000 0.604 141 G HA3 -0.075 3.885 3.960 0.000 0.000 0.604 141 G C -0.542 174.275 174.900 -0.139 0.000 1.116 141 G CA -0.825 44.216 45.100 -0.098 0.000 1.285 141 G HN 0.133 nan 8.290 nan 0.000 0.586 142 I N 2.495 122.951 120.570 -0.189 0.000 2.349 142 I HA 0.162 4.332 4.170 0.000 0.000 0.302 142 I C 1.252 177.114 176.117 -0.425 0.000 1.180 142 I CA 0.156 61.270 61.300 -0.310 0.000 1.405 142 I CB 0.116 37.885 38.000 -0.384 0.000 1.474 142 I HN 0.412 nan 8.210 nan 0.000 0.632 143 R N 4.759 125.073 120.500 -0.311 0.000 2.265 143 R HA 0.311 4.651 4.340 0.000 0.000 0.314 143 R C -1.114 175.015 176.300 -0.285 0.000 1.053 143 R CA -0.303 55.612 56.100 -0.309 0.000 0.931 143 R CB 0.989 31.188 30.300 -0.169 0.000 1.024 143 R HN 0.211 nan 8.270 nan 0.000 0.457 144 Y N 1.335 121.184 120.300 -0.751 0.000 2.621 144 Y HA 0.366 4.916 4.550 0.000 0.000 0.334 144 Y C -0.170 175.379 175.900 -0.585 0.000 1.074 144 Y CA -1.123 56.477 58.100 -0.833 0.000 1.149 144 Y CB 1.834 39.506 38.460 -1.313 0.000 1.302 144 Y HN 0.493 nan 8.280 nan 0.000 0.501 145 Q N 1.242 120.992 119.800 -0.083 0.000 2.320 145 Q HA 0.285 4.625 4.340 0.000 0.000 0.272 145 Q C -2.162 173.883 176.000 0.075 0.000 1.023 145 Q CA -0.596 55.278 55.803 0.117 0.000 0.855 145 Q CB 1.755 30.519 28.738 0.043 0.000 1.367 145 Q HN 0.690 nan 8.270 nan 0.000 0.406 146 Y N 2.197 122.602 120.300 0.176 0.000 2.336 146 Y HA 0.190 4.740 4.550 0.000 0.000 0.331 146 Y C 1.303 177.190 175.900 -0.021 0.000 1.211 146 Y CA 0.319 58.451 58.100 0.054 0.000 1.346 146 Y CB 0.815 39.244 38.460 -0.051 0.000 1.271 146 Y HN 0.642 nan 8.280 nan 0.000 0.538 147 N N 0.850 119.629 118.700 0.132 0.000 2.220 147 N HA 0.076 4.816 4.740 0.000 0.000 0.195 147 N C -0.377 175.168 175.510 0.059 0.000 1.123 147 N CA 0.417 53.507 53.050 0.066 0.000 0.874 147 N CB 0.825 39.337 38.487 0.042 0.000 0.995 147 N HN 0.407 nan 8.380 nan 0.000 0.498 148 V N -2.394 117.564 119.914 0.074 0.000 3.145 148 V HA 0.509 4.629 4.120 0.000 0.000 0.311 148 V C 0.246 176.272 176.094 -0.114 0.000 1.238 148 V CA -1.121 61.188 62.300 0.015 0.000 1.066 148 V CB 1.240 33.098 31.823 0.057 0.000 1.144 148 V HN -0.168 nan 8.190 nan 0.000 0.465 149 L N 2.497 123.661 121.223 -0.098 0.000 2.654 149 L HA 0.241 4.582 4.340 0.000 0.000 0.271 149 L C -2.091 174.531 176.870 -0.412 0.000 1.169 149 L CA -0.972 53.794 54.840 -0.124 0.000 0.947 149 L CB -0.075 42.020 42.059 0.060 0.000 1.232 149 L HN 0.508 nan 8.230 nan 0.000 0.486 150 P HA -0.091 nan 4.420 nan 0.000 0.267 150 P C 0.368 177.304 177.300 -0.606 0.000 1.201 150 P CA 0.046 62.563 63.100 -0.972 0.000 0.775 150 P CB 0.557 31.591 31.700 -1.111 0.000 0.854 151 Q N 1.302 120.805 119.800 -0.495 0.000 2.181 151 Q HA -0.144 4.196 4.340 0.000 0.000 0.205 151 Q C 1.676 177.595 176.000 -0.136 0.000 0.980 151 Q CA 2.199 57.873 55.803 -0.216 0.000 0.862 151 Q CB -0.427 28.338 28.738 0.045 0.000 0.905 151 Q HN 0.739 nan 8.270 nan 0.000 0.429 152 G N -1.290 107.552 108.800 0.071 0.000 2.834 152 G HA2 -0.104 3.856 3.960 0.000 0.000 0.198 152 G HA3 -0.104 3.856 3.960 0.000 0.000 0.198 152 G C -0.517 174.425 174.900 0.071 0.000 1.070 152 G CA -0.360 44.811 45.100 0.119 0.000 0.771 152 G HN 0.394 nan 8.290 nan 0.000 0.601 153 W N 2.788 123.971 121.300 -0.196 0.000 2.747 153 W HA -0.159 4.501 4.660 0.000 0.000 0.316 153 W C 1.669 178.048 176.519 -0.235 0.000 0.951 153 W CA 0.598 57.747 57.345 -0.327 0.000 1.160 153 W CB 0.599 29.707 29.460 -0.587 0.000 1.103 153 W HN 0.214 nan 8.180 nan 0.000 0.540 154 K N 3.643 123.618 120.400 -0.709 0.000 2.147 154 K HA -0.120 4.200 4.320 0.000 0.000 0.205 154 K C 2.061 178.063 176.600 -0.996 0.000 1.049 154 K CA 1.802 57.721 56.287 -0.613 0.000 0.936 154 K CB -0.589 31.737 32.500 -0.290 0.000 0.722 154 K HN 0.707 nan 8.250 nan 0.000 0.446 155 G N -0.134 107.399 108.800 -2.110 0.000 2.448 155 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 155 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 155 G C 1.305 175.386 174.900 -1.365 0.000 1.135 155 G CA 0.668 44.267 45.100 -2.503 0.000 0.784 155 G HN 0.296 nan 8.290 nan 0.000 0.543 156 S N 2.135 117.305 115.700 -0.884 0.000 2.404 156 S HA -0.154 4.316 4.470 0.000 0.000 0.230 156 S C 0.237 174.711 174.600 -0.210 0.000 1.046 156 S CA 1.830 59.822 58.200 -0.346 0.000 1.135 156 S CB -1.308 61.615 63.200 -0.462 0.000 1.056 156 S HN 0.290 nan 8.310 nan 0.000 0.426 157 P HA -0.204 nan 4.420 nan 0.000 0.219 157 P C 1.416 178.692 177.300 -0.041 0.000 1.158 157 P CA 1.964 65.033 63.100 -0.051 0.000 0.895 157 P CB -0.186 31.405 31.700 -0.181 0.000 0.792 158 A N -1.082 121.591 122.820 -0.244 0.000 1.823 158 A HA -0.146 4.174 4.320 0.000 0.000 0.214 158 A C 2.076 179.562 177.584 -0.163 0.000 1.225 158 A CA 1.528 53.428 52.037 -0.228 0.000 0.604 158 A CB -1.631 17.147 19.000 -0.371 0.000 0.878 158 A HN 0.014 nan 8.150 nan 0.000 0.450 159 I N -0.980 119.432 120.570 -0.263 0.000 2.147 159 I HA -0.305 3.865 4.170 0.000 0.000 0.245 159 I C 2.242 178.333 176.117 -0.044 0.000 1.059 159 I CA 1.778 63.001 61.300 -0.128 0.000 1.320 159 I CB -0.882 37.066 38.000 -0.086 0.000 1.021 159 I HN 0.473 nan 8.210 nan 0.000 0.415 160 F N 0.955 120.872 119.950 -0.056 0.000 2.069 160 F HA -0.290 4.237 4.527 0.000 0.000 0.298 160 F C 2.680 178.427 175.800 -0.089 0.000 1.113 160 F CA 2.160 60.138 58.000 -0.036 0.000 1.214 160 F CB -0.619 38.403 39.000 0.037 0.000 0.978 160 F HN 0.129 nan 8.300 nan 0.000 0.474 161 Q N -0.241 119.447 119.800 -0.188 0.000 2.096 161 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 161 Q C 2.437 178.282 176.000 -0.259 0.000 0.982 161 Q CA 1.954 57.611 55.803 -0.244 0.000 0.850 161 Q CB -0.564 28.113 28.738 -0.101 0.000 0.901 161 Q HN 0.450 nan 8.270 nan 0.000 0.422 162 S N -0.557 115.037 115.700 -0.177 0.000 2.428 162 S HA -0.036 4.434 4.470 0.000 0.000 0.230 162 S C 1.907 176.390 174.600 -0.195 0.000 1.014 162 S CA 1.152 59.272 58.200 -0.134 0.000 0.957 162 S CB 0.052 63.215 63.200 -0.062 0.000 0.784 162 S HN 0.362 nan 8.310 nan 0.000 0.499 163 S N 0.816 116.349 115.700 -0.278 0.000 2.425 163 S HA 0.076 4.546 4.470 0.000 0.000 0.225 163 S C 1.682 176.024 174.600 -0.431 0.000 1.024 163 S CA 0.932 58.949 58.200 -0.304 0.000 0.951 163 S CB -0.233 62.816 63.200 -0.252 0.000 0.796 163 S HN 0.556 nan 8.310 nan 0.000 0.498 164 M N 2.248 121.491 119.600 -0.596 0.000 2.064 164 M HA -0.071 4.409 4.480 0.000 0.000 0.260 164 M C 1.969 178.039 176.300 -0.383 0.000 1.073 164 M CA 1.822 56.784 55.300 -0.563 0.000 1.124 164 M CB -1.482 30.711 32.600 -0.678 0.000 1.326 164 M HN 0.132 nan 8.290 nan 0.000 0.410 165 T N 0.956 115.328 114.554 -0.304 0.000 2.721 165 T HA -0.223 4.127 4.350 0.000 0.000 0.268 165 T C 1.792 176.366 174.700 -0.210 0.000 1.038 165 T CA 2.000 63.975 62.100 -0.208 0.000 1.145 165 T CB -0.319 68.461 68.868 -0.147 0.000 0.858 165 T HN 0.462 nan 8.240 nan 0.000 0.459 166 K N 0.431 120.677 120.400 -0.257 0.000 2.001 166 K HA 0.067 4.387 4.320 0.000 0.000 0.208 166 K C 2.291 178.621 176.600 -0.450 0.000 1.048 166 K CA 1.092 57.210 56.287 -0.281 0.000 0.932 166 K CB -0.347 31.991 32.500 -0.270 0.000 0.715 166 K HN 0.279 nan 8.250 nan 0.000 0.437 167 I N 1.282 121.469 120.570 -0.639 0.000 2.185 167 I HA -0.331 3.839 4.170 0.000 0.000 0.246 167 I C 2.008 177.795 176.117 -0.550 0.000 1.088 167 I CA 1.516 62.208 61.300 -1.014 0.000 1.347 167 I CB -0.159 37.400 38.000 -0.735 0.000 1.041 167 I HN 0.197 nan 8.210 nan 0.000 0.415 168 L N -0.632 120.433 121.223 -0.264 0.000 2.375 168 L HA -0.065 4.275 4.340 0.000 0.000 0.215 168 L C 2.287 179.180 176.870 0.038 0.000 1.108 168 L CA 0.129 54.934 54.840 -0.058 0.000 0.830 168 L CB -0.366 41.617 42.059 -0.126 0.000 0.959 168 L HN 0.100 nan 8.230 nan 0.000 0.457 169 E N 1.221 121.405 120.200 -0.028 0.000 2.048 169 E HA -0.209 4.141 4.350 0.000 0.000 0.202 169 E C -0.570 176.070 176.600 0.068 0.000 1.021 169 E CA 2.081 58.488 56.400 0.011 0.000 0.825 169 E CB -1.168 28.518 29.700 -0.023 0.000 0.756 169 E HN 0.250 nan 8.360 nan 0.000 0.454 170 P HA -0.196 nan 4.420 nan 0.000 0.215 170 P C 1.593 178.921 177.300 0.047 0.000 1.157 170 P CA 1.389 64.567 63.100 0.129 0.000 0.874 170 P CB -0.343 31.530 31.700 0.289 0.000 0.790 171 F N 3.348 123.178 119.950 -0.200 0.000 2.011 171 F HA -0.247 4.281 4.527 0.000 0.000 0.296 171 F C 2.151 177.840 175.800 -0.184 0.000 1.144 171 F CA 2.529 60.285 58.000 -0.408 0.000 1.185 171 F CB -0.997 37.609 39.000 -0.656 0.000 0.961 171 F HN -0.133 nan 8.300 nan 0.000 0.485 172 K N 0.268 120.834 120.400 0.275 0.000 2.520 172 K HA -0.196 4.124 4.320 0.000 0.000 0.197 172 K C 1.930 178.510 176.600 -0.034 0.000 1.043 172 K CA 1.581 57.949 56.287 0.134 0.000 0.944 172 K CB -0.376 32.238 32.500 0.190 0.000 0.770 172 K HN 0.405 nan 8.250 nan 0.000 0.480 173 K N 1.493 121.858 120.400 -0.059 0.000 2.044 173 K HA -0.098 4.222 4.320 0.000 0.000 0.204 173 K C 2.264 178.801 176.600 -0.105 0.000 1.045 173 K CA 1.115 57.368 56.287 -0.056 0.000 0.951 173 K CB 0.142 32.630 32.500 -0.021 0.000 0.738 173 K HN 0.290 nan 8.250 nan 0.000 0.443 174 Q N 0.459 120.159 119.800 -0.166 0.000 2.297 174 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 174 Q C -0.518 175.340 176.000 -0.237 0.000 0.962 174 Q CA 0.918 56.612 55.803 -0.181 0.000 0.879 174 Q CB -0.340 28.285 28.738 -0.187 0.000 0.947 174 Q HN 0.363 nan 8.270 nan 0.000 0.462 175 N N 0.634 119.124 118.700 -0.350 0.000 2.675 175 N HA 0.363 5.103 4.740 0.000 0.000 0.254 175 N C -2.958 172.423 175.510 -0.215 0.000 1.224 175 N CA -1.552 51.301 53.050 -0.328 0.000 0.777 175 N CB 1.652 39.828 38.487 -0.518 0.000 1.256 175 N HN -0.135 nan 8.380 nan 0.000 0.531 176 P HA 0.252 nan 4.420 nan 0.000 0.317 176 P C -0.462 176.842 177.300 0.007 0.000 1.307 176 P CA -0.133 62.951 63.100 -0.025 0.000 0.749 176 P CB 0.385 32.073 31.700 -0.020 0.000 1.377 177 D N -1.255 119.162 120.400 0.027 0.000 2.735 177 D HA -0.204 4.436 4.640 0.000 0.000 0.235 177 D C -1.074 175.262 176.300 0.061 0.000 1.175 177 D CA 0.615 54.639 54.000 0.041 0.000 0.683 177 D CB -1.779 39.040 40.800 0.031 0.000 1.008 177 D HN 0.326 nan 8.370 nan 0.000 0.416 178 I N 0.968 121.586 120.570 0.080 0.000 2.714 178 I HA 0.058 4.228 4.170 0.000 0.000 0.274 178 I C 0.380 176.555 176.117 0.096 0.000 1.261 178 I CA -1.061 60.299 61.300 0.099 0.000 1.008 178 I CB 1.703 39.773 38.000 0.118 0.000 1.289 178 I HN -0.090 nan 8.210 nan 0.000 0.529 179 V N 5.965 125.931 119.914 0.087 0.000 2.621 179 V HA -0.087 4.033 4.120 0.000 0.000 0.300 179 V C 0.401 176.538 176.094 0.072 0.000 1.031 179 V CA 1.040 63.384 62.300 0.074 0.000 1.210 179 V CB -0.445 31.417 31.823 0.065 0.000 0.864 179 V HN 0.413 nan 8.190 nan 0.000 0.477 180 I N 6.351 126.959 120.570 0.063 0.000 2.418 180 I HA 0.437 4.607 4.170 0.000 0.000 0.287 180 I C -0.798 175.364 176.117 0.076 0.000 1.008 180 I CA -0.624 60.705 61.300 0.047 0.000 1.104 180 I CB 1.571 39.568 38.000 -0.006 0.000 1.264 180 I HN 0.632 nan 8.210 nan 0.000 0.438 181 Y N 6.556 126.813 120.300 -0.071 0.000 2.361 181 Y HA 0.388 4.938 4.550 0.000 0.000 0.337 181 Y C -0.843 175.001 175.900 -0.092 0.000 0.965 181 Y CA -0.527 57.498 58.100 -0.125 0.000 1.091 181 Y CB 1.542 39.843 38.460 -0.264 0.000 1.182 181 Y HN 0.503 nan 8.280 nan 0.000 0.450 182 Q N 6.532 125.909 119.800 -0.704 0.000 2.339 182 Q HA 0.232 4.572 4.340 0.000 0.000 0.268 182 Q C -2.158 173.496 176.000 -0.576 0.000 1.027 182 Q CA -0.770 54.748 55.803 -0.475 0.000 0.759 182 Q CB 1.123 29.711 28.738 -0.250 0.000 1.244 182 Q HN 0.829 nan 8.270 nan 0.000 0.464 183 Y N 4.771 124.757 120.300 -0.524 0.000 2.330 183 Y HA 0.173 4.723 4.550 0.000 0.000 0.336 183 Y C 1.339 177.216 175.900 -0.039 0.000 1.036 183 Y CA -0.085 57.878 58.100 -0.229 0.000 1.125 183 Y CB 0.786 39.243 38.460 -0.005 0.000 1.194 183 Y HN 0.889 nan 8.280 nan 0.000 0.469 184 M N 1.890 121.293 119.600 -0.328 0.000 4.689 184 M HA -0.477 4.003 4.480 0.000 0.000 0.305 184 M C 0.486 176.734 176.300 -0.087 0.000 0.571 184 M CA 2.731 57.925 55.300 -0.176 0.000 0.873 184 M CB -0.833 31.628 32.600 -0.231 0.000 1.613 184 M HN 0.722 nan 8.290 nan 0.000 0.703 185 D N -0.032 120.336 120.400 -0.054 0.000 2.463 185 D HA 0.165 4.805 4.640 0.000 0.000 0.224 185 D C -1.108 175.215 176.300 0.038 0.000 1.174 185 D CA 0.051 54.000 54.000 -0.086 0.000 0.829 185 D CB 0.394 41.161 40.800 -0.056 0.000 0.993 185 D HN 0.190 nan 8.370 nan 0.000 0.497 186 D N 0.617 121.092 120.400 0.126 0.000 2.757 186 D HA 0.323 4.963 4.640 0.000 0.000 0.249 186 D C -1.025 175.421 176.300 0.243 0.000 1.168 186 D CA -0.418 53.724 54.000 0.237 0.000 0.870 186 D CB 1.906 43.010 40.800 0.507 0.000 1.411 186 D HN 0.027 nan 8.370 nan 0.000 0.525 187 L N 3.173 124.490 121.223 0.156 0.000 2.305 187 L HA 0.385 4.725 4.340 0.000 0.000 0.284 187 L C -1.235 175.703 176.870 0.113 0.000 1.013 187 L CA -0.775 54.135 54.840 0.116 0.000 0.819 187 L CB 0.840 42.900 42.059 0.002 0.000 1.227 187 L HN 0.324 nan 8.230 nan 0.000 0.417 188 Y N 4.139 124.375 120.300 -0.105 0.000 2.712 188 Y HA 0.329 4.879 4.550 0.000 0.000 0.328 188 Y C -0.023 175.818 175.900 -0.098 0.000 0.995 188 Y CA -0.846 57.168 58.100 -0.144 0.000 1.283 188 Y CB 1.283 39.626 38.460 -0.196 0.000 1.092 188 Y HN 0.133 nan 8.280 nan 0.000 0.519 189 V N 2.809 122.730 119.914 0.012 0.000 2.530 189 V HA 0.782 4.902 4.120 0.000 0.000 0.282 189 V C 0.607 176.762 176.094 0.103 0.000 1.048 189 V CA -0.352 61.966 62.300 0.031 0.000 0.997 189 V CB 0.998 32.810 31.823 -0.018 0.000 0.987 189 V HN 0.842 nan 8.190 nan 0.000 0.477 190 G N 2.430 111.316 108.800 0.144 0.000 2.667 190 G HA2 0.687 4.647 3.960 0.000 0.000 0.298 190 G HA3 0.687 4.647 3.960 0.000 0.000 0.298 190 G C -0.974 174.095 174.900 0.282 0.000 1.377 190 G CA -0.062 45.167 45.100 0.216 0.000 0.964 190 G HN 0.922 nan 8.290 nan 0.000 0.493 191 S N -0.498 115.431 115.700 0.381 0.000 2.683 191 S HA 0.506 4.976 4.470 0.000 0.000 0.269 191 S C -1.752 172.949 174.600 0.169 0.000 1.165 191 S CA -0.555 57.815 58.200 0.283 0.000 0.840 191 S CB 1.528 64.920 63.200 0.319 0.000 1.169 191 S HN 0.345 nan 8.310 nan 0.000 0.490 192 D N 1.902 122.388 120.400 0.143 0.000 3.123 192 D HA 0.398 5.038 4.640 0.000 0.000 0.305 192 D C -0.663 175.696 176.300 0.098 0.000 1.373 192 D CA 0.119 54.166 54.000 0.078 0.000 0.889 192 D CB -0.028 40.804 40.800 0.054 0.000 1.070 192 D HN 0.343 nan 8.370 nan 0.000 0.494 193 L N 0.575 121.902 121.223 0.174 0.000 2.346 193 L HA 0.324 4.664 4.340 0.000 0.000 0.276 193 L C 0.707 177.650 176.870 0.122 0.000 1.006 193 L CA -1.009 53.930 54.840 0.164 0.000 0.817 193 L CB 1.966 44.154 42.059 0.215 0.000 1.272 193 L HN -0.068 nan 8.230 nan 0.000 0.421 194 E N 2.340 122.588 120.200 0.080 0.000 2.565 194 E HA -0.122 4.228 4.350 0.000 0.000 0.268 194 E C 0.909 177.556 176.600 0.079 0.000 1.000 194 E CA -0.336 56.097 56.400 0.055 0.000 0.964 194 E CB 0.698 30.425 29.700 0.045 0.000 0.955 194 E HN 0.388 nan 8.360 nan 0.000 0.459 195 I N 2.426 123.023 120.570 0.045 0.000 2.161 195 I HA -0.326 3.844 4.170 0.000 0.000 0.246 195 I C 2.103 178.278 176.117 0.097 0.000 1.048 195 I CA 2.324 63.657 61.300 0.056 0.000 1.314 195 I CB -2.088 35.934 38.000 0.036 0.000 1.014 195 I HN 0.820 nan 8.210 nan 0.000 0.418 196 G N -0.649 108.196 108.800 0.076 0.000 2.454 196 G HA2 -0.258 3.703 3.960 0.000 0.000 0.214 196 G HA3 -0.258 3.703 3.960 0.000 0.000 0.214 196 G C 1.533 176.484 174.900 0.085 0.000 1.217 196 G CA 0.733 45.876 45.100 0.072 0.000 0.799 196 G HN 0.470 nan 8.290 nan 0.000 0.538 197 Q N -0.628 119.221 119.800 0.081 0.000 2.133 197 Q HA -0.278 4.062 4.340 0.000 0.000 0.208 197 Q C 2.232 178.292 176.000 0.101 0.000 0.991 197 Q CA 1.853 57.702 55.803 0.076 0.000 0.867 197 Q CB -0.376 28.404 28.738 0.070 0.000 0.911 197 Q HN 0.703 nan 8.270 nan 0.000 0.417 198 H N -0.070 119.022 119.070 0.036 0.000 2.293 198 H HA -0.119 4.437 4.556 0.000 0.000 0.300 198 H C 2.097 177.455 175.328 0.049 0.000 1.082 198 H CA 1.885 57.959 56.048 0.044 0.000 1.308 198 H CB 0.123 29.912 29.762 0.045 0.000 1.375 198 H HN 0.180 nan 8.280 nan 0.000 0.495 199 R N -0.026 120.567 120.500 0.155 0.000 2.237 199 R HA -0.074 4.266 4.340 0.000 0.000 0.219 199 R C 2.122 178.447 176.300 0.041 0.000 1.080 199 R CA 1.295 57.449 56.100 0.090 0.000 0.995 199 R CB 0.093 30.454 30.300 0.102 0.000 0.875 199 R HN 0.313 nan 8.270 nan 0.000 0.462 200 T N 0.403 114.979 114.554 0.037 0.000 2.821 200 T HA -0.075 4.275 4.350 0.000 0.000 0.267 200 T C 1.564 176.274 174.700 0.017 0.000 1.046 200 T CA 0.860 62.976 62.100 0.027 0.000 1.139 200 T CB 0.020 68.903 68.868 0.026 0.000 0.871 200 T HN 0.071 nan 8.240 nan 0.000 0.454 201 K N 0.906 121.297 120.400 -0.014 0.000 2.116 201 K HA 0.114 4.434 4.320 0.000 0.000 0.203 201 K C 2.265 178.895 176.600 0.050 0.000 1.052 201 K CA 0.476 56.767 56.287 0.006 0.000 0.952 201 K CB -0.503 31.967 32.500 -0.049 0.000 0.729 201 K HN 0.304 nan 8.250 nan 0.000 0.446 202 I N 1.190 121.743 120.570 -0.028 0.000 2.151 202 I HA -0.270 3.900 4.170 0.000 0.000 0.243 202 I C 2.268 178.408 176.117 0.039 0.000 1.080 202 I CA 1.438 62.731 61.300 -0.012 0.000 1.339 202 I CB -1.193 36.800 38.000 -0.012 0.000 1.039 202 I HN 0.180 nan 8.210 nan 0.000 0.409 203 E N 1.555 121.785 120.200 0.050 0.000 2.051 203 E HA -0.216 4.134 4.350 0.000 0.000 0.192 203 E C 2.092 178.755 176.600 0.105 0.000 0.991 203 E CA 1.519 57.957 56.400 0.064 0.000 0.799 203 E CB -0.157 29.574 29.700 0.053 0.000 0.748 203 E HN 0.448 nan 8.360 nan 0.000 0.449 204 E N 0.052 120.330 120.200 0.129 0.000 2.114 204 E HA -0.246 4.104 4.350 0.000 0.000 0.199 204 E C 2.293 179.106 176.600 0.355 0.000 1.008 204 E CA 1.398 57.915 56.400 0.196 0.000 0.810 204 E CB -0.333 29.460 29.700 0.155 0.000 0.739 204 E HN 0.341 nan 8.360 nan 0.000 0.456 205 L N 0.953 122.384 121.223 0.347 0.000 2.023 205 L HA -0.157 4.183 4.340 0.000 0.000 0.205 205 L C 2.550 179.468 176.870 0.080 0.000 1.073 205 L CA 1.293 56.190 54.840 0.094 0.000 0.745 205 L CB -0.070 41.798 42.059 -0.318 0.000 0.900 205 L HN -0.046 nan 8.230 nan 0.000 0.435 206 R N -0.639 119.897 120.500 0.059 0.000 2.094 206 R HA -0.203 4.137 4.340 0.000 0.000 0.239 206 R C 2.280 178.634 176.300 0.090 0.000 1.137 206 R CA 1.684 57.815 56.100 0.051 0.000 0.943 206 R CB -0.654 29.670 30.300 0.039 0.000 0.850 206 R HN 0.449 nan 8.270 nan 0.000 0.433 207 Q N -0.185 119.685 119.800 0.117 0.000 2.170 207 Q HA -0.173 4.167 4.340 0.000 0.000 0.203 207 Q C 1.921 178.016 176.000 0.159 0.000 0.976 207 Q CA 1.513 57.385 55.803 0.114 0.000 0.858 207 Q CB -0.374 28.427 28.738 0.105 0.000 0.907 207 Q HN 0.515 nan 8.270 nan 0.000 0.433 208 H N 0.323 119.480 119.070 0.144 0.000 2.321 208 H HA -0.021 4.535 4.556 0.000 0.000 0.300 208 H C 1.853 177.326 175.328 0.242 0.000 1.087 208 H CA 1.481 57.661 56.048 0.220 0.000 1.319 208 H CB -0.131 29.830 29.762 0.332 0.000 1.379 208 H HN 0.126 nan 8.280 nan 0.000 0.501 209 L N -0.223 121.079 121.223 0.131 0.000 2.291 209 L HA -0.104 4.236 4.340 0.000 0.000 0.214 209 L C 2.170 179.084 176.870 0.074 0.000 1.120 209 L CA 0.093 54.976 54.840 0.071 0.000 0.799 209 L CB -0.210 41.873 42.059 0.041 0.000 0.925 209 L HN 0.344 nan 8.230 nan 0.000 0.446 210 L N 0.083 121.342 121.223 0.060 0.000 2.217 210 L HA -0.118 4.222 4.340 0.000 0.000 0.211 210 L C 2.644 179.518 176.870 0.006 0.000 1.107 210 L CA 1.562 56.426 54.840 0.039 0.000 0.783 210 L CB -0.751 41.331 42.059 0.037 0.000 0.919 210 L HN 0.279 nan 8.230 nan 0.000 0.442 211 R N -1.904 118.578 120.500 -0.029 0.000 2.073 211 R HA -0.191 4.150 4.340 0.000 0.000 0.229 211 R C 1.741 177.914 176.300 -0.212 0.000 1.120 211 R CA 1.516 57.527 56.100 -0.148 0.000 0.967 211 R CB -0.302 29.863 30.300 -0.225 0.000 0.862 211 R HN 0.358 nan 8.270 nan 0.000 0.436 212 W N -0.243 120.969 121.300 -0.147 0.000 3.292 212 W HA 0.146 4.806 4.660 0.000 0.000 0.263 212 W C 1.149 177.636 176.519 -0.053 0.000 1.318 212 W CA 0.689 57.963 57.345 -0.119 0.000 1.663 212 W CB 0.473 29.827 29.460 -0.178 0.000 1.114 212 W HN 0.383 nan 8.180 nan 0.000 0.706 213 G N -0.342 108.529 108.800 0.119 0.000 2.213 213 G HA2 -0.279 3.681 3.960 0.000 0.000 0.236 213 G HA3 -0.279 3.681 3.960 0.000 0.000 0.236 213 G C 0.193 175.153 174.900 0.101 0.000 0.991 213 G CA -0.219 44.939 45.100 0.097 0.000 0.629 213 G HN 0.077 nan 8.290 nan 0.000 0.517 214 L N 3.448 124.738 121.223 0.112 0.000 2.375 214 L HA 0.290 4.630 4.340 0.000 0.000 0.276 214 L C 1.066 177.973 176.870 0.061 0.000 1.162 214 L CA 0.616 55.512 54.840 0.095 0.000 0.991 214 L CB -0.218 41.902 42.059 0.102 0.000 1.315 214 L HN 0.407 nan 8.230 nan 0.000 0.431 215 T N -1.598 112.985 114.554 0.049 0.000 2.775 215 T HA 0.099 4.450 4.350 0.000 0.000 0.287 215 T C 0.651 175.364 174.700 0.023 0.000 0.909 215 T CA -0.560 61.560 62.100 0.033 0.000 1.081 215 T CB -0.135 68.749 68.868 0.027 0.000 0.891 215 T HN 0.387 nan 8.240 nan 0.000 0.544 216 T N 7.467 122.033 114.554 0.021 0.000 2.771 216 T HA 0.146 4.497 4.350 0.000 0.000 0.277 216 T C -1.171 173.536 174.700 0.011 0.000 0.919 216 T CA -0.889 61.218 62.100 0.012 0.000 1.163 216 T CB 0.560 69.433 68.868 0.008 0.000 0.876 216 T HN 0.444 nan 8.240 nan 0.000 0.545 217 P HA -0.024 nan 4.420 nan 0.000 0.218 217 P C 0.604 177.910 177.300 0.010 0.000 1.146 217 P CA 1.064 64.168 63.100 0.007 0.000 0.813 217 P CB -0.236 31.466 31.700 0.003 0.000 0.778 218 D N -0.239 120.167 120.400 0.010 0.000 2.357 218 D HA 0.320 4.960 4.640 0.000 0.000 0.265 218 D C 1.498 177.808 176.300 0.016 0.000 1.334 218 D CA 0.506 54.514 54.000 0.013 0.000 0.984 218 D CB -0.562 40.244 40.800 0.010 0.000 1.077 218 D HN 0.216 nan 8.370 nan 0.000 0.514 219 K N -0.055 120.355 120.400 0.018 0.000 2.366 219 K HA 0.262 4.582 4.320 0.000 0.000 0.202 219 K C 1.383 177.998 176.600 0.024 0.000 1.045 219 K CA 2.262 58.561 56.287 0.020 0.000 0.934 219 K CB -0.960 31.551 32.500 0.019 0.000 0.746 219 K HN 1.328 nan 8.250 nan 0.000 0.470 220 K N -3.417 116.998 120.400 0.026 0.000 2.428 220 K HA 0.608 4.928 4.320 0.000 0.000 0.279 220 K C 0.454 177.074 176.600 0.033 0.000 1.041 220 K CA 0.104 56.410 56.287 0.031 0.000 0.887 220 K CB -0.209 32.312 32.500 0.035 0.000 1.535 220 K HN 0.981 nan 8.250 nan 0.000 0.417 221 H N 0.305 119.401 119.070 0.044 0.000 3.792 221 H HA 0.541 5.097 4.556 0.000 0.000 0.216 221 H C 0.670 176.036 175.328 0.063 0.000 1.525 221 H CA 0.917 56.996 56.048 0.051 0.000 1.309 221 H CB -1.296 28.513 29.762 0.079 0.000 1.540 221 H HN 1.070 nan 8.280 nan 0.000 0.711 222 Q N 0.680 120.510 119.800 0.050 0.000 2.296 222 Q HA 0.751 5.091 4.340 0.000 0.000 0.257 222 Q C 0.106 176.145 176.000 0.065 0.000 0.942 222 Q CA -0.305 55.531 55.803 0.055 0.000 0.939 222 Q CB 0.253 29.015 28.738 0.040 0.000 1.198 222 Q HN 1.556 nan 8.270 nan 0.000 0.429 223 K N 1.002 121.459 120.400 0.095 0.000 2.610 223 K HA 0.561 4.881 4.320 0.000 0.000 0.278 223 K C -0.954 175.701 176.600 0.092 0.000 0.964 223 K CA -0.250 56.118 56.287 0.134 0.000 0.859 223 K CB 0.899 33.530 32.500 0.218 0.000 1.434 223 K HN 0.925 nan 8.250 nan 0.000 0.410 224 E N 2.998 123.206 120.200 0.012 0.000 2.161 224 E HA 0.106 4.456 4.350 0.000 0.000 0.263 224 E C -1.569 174.638 176.600 -0.655 0.000 1.185 224 E CA -1.786 54.514 56.400 -0.167 0.000 0.938 224 E CB 0.553 30.197 29.700 -0.094 0.000 1.023 224 E HN 0.311 nan 8.360 nan 0.000 0.433 225 P HA -0.202 nan 4.420 nan 0.000 0.222 225 P C -2.141 174.409 177.300 -1.250 0.000 1.157 225 P CA 1.293 63.861 63.100 -0.888 0.000 0.905 225 P CB -0.760 30.801 31.700 -0.231 0.000 0.792 226 P HA 0.032 nan 4.420 nan 0.000 0.256 226 P C -0.750 176.304 177.300 -0.410 0.000 1.688 226 P CA -0.018 62.800 63.100 -0.470 0.000 1.162 226 P CB -1.005 30.677 31.700 -0.030 0.000 1.870 227 F N 2.351 122.263 119.950 -0.064 0.000 2.506 227 F HA 0.119 4.646 4.527 0.000 0.000 0.371 227 F C 1.349 177.261 175.800 0.185 0.000 1.078 227 F CA -0.253 57.804 58.000 0.096 0.000 1.195 227 F CB 0.129 39.235 39.000 0.176 0.000 1.099 227 F HN 0.075 nan 8.300 nan 0.000 0.548 228 L N 4.250 125.685 121.223 0.352 0.000 2.302 228 L HA 0.181 4.521 4.340 0.000 0.000 0.285 228 L C -0.970 176.160 176.870 0.435 0.000 1.090 228 L CA -0.305 54.728 54.840 0.321 0.000 0.866 228 L CB 0.138 42.323 42.059 0.210 0.000 1.244 228 L HN 0.715 nan 8.230 nan 0.000 0.435 229 W N 7.274 128.721 121.300 0.245 0.000 2.499 229 W HA 0.452 5.112 4.660 0.000 0.000 0.320 229 W C -0.154 176.496 176.519 0.218 0.000 1.010 229 W CA -1.022 56.432 57.345 0.183 0.000 1.267 229 W CB 1.128 30.642 29.460 0.090 0.000 1.316 229 W HN 0.364 nan 8.180 nan 0.000 0.431 230 M N 5.949 125.359 119.600 -0.317 0.000 2.253 230 M HA -0.200 4.280 4.480 0.000 0.000 0.195 230 M C 1.264 177.463 176.300 -0.170 0.000 0.512 230 M CA 1.733 56.798 55.300 -0.392 0.000 0.442 230 M CB -2.293 29.831 32.600 -0.794 0.000 1.189 230 M HN 1.374 nan 8.290 nan 0.000 0.923 231 G N -1.270 107.470 108.800 -0.101 0.000 2.257 231 G HA2 -0.342 3.619 3.960 0.000 0.000 0.267 231 G HA3 -0.342 3.619 3.960 0.000 0.000 0.267 231 G C -0.132 174.836 174.900 0.112 0.000 0.984 231 G CA 0.755 45.841 45.100 -0.024 0.000 0.626 231 G HN 0.642 nan 8.290 nan 0.000 0.540 232 Y N 1.390 121.805 120.300 0.192 0.000 2.393 232 Y HA 0.498 5.048 4.550 0.000 0.000 0.338 232 Y C 0.835 176.911 175.900 0.293 0.000 1.029 232 Y CA -0.318 57.928 58.100 0.243 0.000 1.239 232 Y CB 0.883 39.421 38.460 0.130 0.000 1.170 232 Y HN 0.245 nan 8.280 nan 0.000 0.515 233 E N 4.713 125.170 120.200 0.430 0.000 2.130 233 E HA 0.376 4.726 4.350 0.000 0.000 0.284 233 E C -1.255 175.567 176.600 0.370 0.000 1.018 233 E CA -0.273 56.324 56.400 0.329 0.000 0.817 233 E CB 0.467 30.330 29.700 0.272 0.000 1.078 233 E HN 0.614 nan 8.360 nan 0.000 0.396 234 L N 4.126 125.501 121.223 0.254 0.000 2.330 234 L HA 0.560 4.900 4.340 0.000 0.000 0.271 234 L C -0.628 176.215 176.870 -0.045 0.000 1.013 234 L CA -0.797 54.245 54.840 0.337 0.000 0.816 234 L CB 1.536 43.876 42.059 0.467 0.000 1.287 234 L HN 0.670 nan 8.230 nan 0.000 0.435 235 H N 0.269 119.608 119.070 0.449 0.000 3.037 235 H HA 0.227 4.783 4.556 0.000 0.000 0.355 235 H C -2.062 173.350 175.328 0.139 0.000 1.263 235 H CA -1.159 55.055 56.048 0.275 0.000 1.129 235 H CB 1.564 31.410 29.762 0.140 0.000 1.861 235 H HN 0.290 nan 8.280 nan 0.000 0.546 236 P HA -0.113 nan 4.420 nan 0.000 0.234 236 P C -0.279 176.915 177.300 -0.177 0.000 1.162 236 P CA 1.361 64.477 63.100 0.026 0.000 0.759 236 P CB 0.379 32.108 31.700 0.049 0.000 0.813 237 D N -2.046 118.212 120.400 -0.237 0.000 2.292 237 D HA 0.043 4.683 4.640 0.000 0.000 0.322 237 D C 0.508 176.630 176.300 -0.297 0.000 1.087 237 D CA 0.242 54.060 54.000 -0.303 0.000 0.857 237 D CB 0.210 40.945 40.800 -0.108 0.000 1.445 237 D HN 0.277 nan 8.370 nan 0.000 0.528 238 K N -0.620 119.732 120.400 -0.079 0.000 2.548 238 K HA 0.629 4.949 4.320 0.000 0.000 0.282 238 K C -1.307 175.774 176.600 0.801 0.000 1.006 238 K CA -1.101 55.400 56.287 0.357 0.000 0.892 238 K CB 2.178 34.805 32.500 0.211 0.000 1.499 238 K HN 0.142 nan 8.250 nan 0.000 0.433 239 W N -0.222 121.423 121.300 0.576 0.000 3.118 239 W HA 0.698 5.358 4.660 0.000 0.000 0.328 239 W C -1.756 174.932 176.519 0.282 0.000 1.239 239 W CA -0.792 56.816 57.345 0.438 0.000 1.176 239 W CB 1.279 30.921 29.460 0.303 0.000 1.433 239 W HN 0.758 nan 8.180 nan 0.000 0.562 240 T N 0.475 115.187 114.554 0.263 0.000 2.654 240 T HA 0.458 4.808 4.350 0.000 0.000 0.303 240 T C -1.167 173.612 174.700 0.132 0.000 1.656 240 T CA -0.554 61.486 62.100 -0.100 0.000 0.971 240 T CB 1.686 70.480 68.868 -0.124 0.000 1.811 240 T HN 0.458 nan 8.240 nan 0.000 0.483 241 V N 0.643 120.524 119.914 -0.055 0.000 3.001 241 V HA 0.690 4.810 4.120 0.000 0.000 0.314 241 V C 0.439 176.571 176.094 0.063 0.000 1.099 241 V CA -0.600 61.730 62.300 0.049 0.000 0.989 241 V CB 2.028 33.881 31.823 0.049 0.000 1.040 241 V HN 1.012 nan 8.190 nan 0.000 0.434 242 Q N 1.242 121.118 119.800 0.127 0.000 2.485 242 Q HA 0.149 4.489 4.340 0.000 0.000 0.228 242 Q C -1.310 174.765 176.000 0.126 0.000 0.763 242 Q CA 0.043 55.930 55.803 0.140 0.000 0.959 242 Q CB 0.775 29.592 28.738 0.132 0.000 1.314 242 Q HN 0.703 nan 8.270 nan 0.000 0.508 243 P HA 0.000 nan 4.420 nan 0.000 0.250 243 P C -0.015 177.327 177.300 0.070 0.000 1.239 243 P CA 0.566 63.707 63.100 0.068 0.000 0.756 243 P CB -0.401 31.319 31.700 0.035 0.000 1.013 244 I N -0.294 120.343 120.570 0.112 0.000 3.539 244 I HA -0.008 4.162 4.170 0.000 0.000 0.297 244 I C 0.490 176.665 176.117 0.096 0.000 1.284 244 I CA -0.344 61.028 61.300 0.120 0.000 1.355 244 I CB -0.741 37.368 38.000 0.183 0.000 1.144 244 I HN -0.281 nan 8.210 nan 0.000 0.495 245 V N 3.371 123.327 119.914 0.069 0.000 2.529 245 V HA 0.044 4.164 4.120 0.000 0.000 0.292 245 V C 0.389 176.515 176.094 0.053 0.000 1.028 245 V CA 0.076 62.411 62.300 0.059 0.000 1.074 245 V CB 0.573 32.424 31.823 0.048 0.000 0.958 245 V HN 0.333 nan 8.190 nan 0.000 0.481 246 L N 7.911 129.170 121.223 0.060 0.000 2.301 246 L HA 0.463 4.803 4.340 0.000 0.000 0.278 246 L C -2.261 174.662 176.870 0.088 0.000 1.022 246 L CA -1.512 53.368 54.840 0.065 0.000 0.854 246 L CB 1.264 43.363 42.059 0.068 0.000 1.226 246 L HN 0.486 nan 8.230 nan 0.000 0.429 247 P HA 0.361 nan 4.420 nan 0.000 0.279 247 P C -0.989 176.481 177.300 0.283 0.000 1.252 247 P CA -0.513 62.688 63.100 0.169 0.000 0.811 247 P CB 1.183 32.990 31.700 0.180 0.000 1.035 248 E N 0.043 120.398 120.200 0.258 0.000 2.367 248 E HA 0.679 5.029 4.350 0.000 0.000 0.273 248 E C -1.177 175.417 176.600 -0.010 0.000 0.903 248 E CA -0.650 55.883 56.400 0.221 0.000 0.764 248 E CB 1.336 31.093 29.700 0.094 0.000 1.252 248 E HN 0.437 nan 8.360 nan 0.000 0.446 249 K N 2.199 122.356 120.400 -0.405 0.000 2.809 249 K HA 0.245 4.565 4.320 0.000 0.000 0.293 249 K C -1.682 174.381 176.600 -0.895 0.000 1.061 249 K CA -0.333 55.566 56.287 -0.646 0.000 0.837 249 K CB 0.477 32.555 32.500 -0.703 0.000 1.524 249 K HN 0.592 nan 8.250 nan 0.000 0.370 250 D N 0.690 120.723 120.400 -0.612 0.000 2.313 250 D HA 0.435 5.075 4.640 0.000 0.000 0.247 250 D C 0.548 176.568 176.300 -0.468 0.000 1.094 250 D CA 1.491 55.230 54.000 -0.436 0.000 0.925 250 D CB 0.917 41.572 40.800 -0.242 0.000 1.188 250 D HN 1.853 nan 8.370 nan 0.000 0.430 251 S N 1.537 117.098 115.700 -0.231 0.000 3.884 251 S HA -0.205 4.265 4.470 0.000 0.000 0.374 251 S C -0.376 174.328 174.600 0.174 0.000 0.971 251 S CA 0.093 58.265 58.200 -0.047 0.000 1.152 251 S CB -2.352 60.828 63.200 -0.034 0.000 0.877 251 S HN 0.522 nan 8.310 nan 0.000 0.491 252 W N 1.931 123.232 121.300 0.001 0.000 2.316 252 W HA 0.477 5.137 4.660 0.000 0.000 0.311 252 W C 1.453 177.973 176.519 0.001 0.000 1.217 252 W CA -0.461 56.885 57.345 0.001 0.000 1.199 252 W CB 1.290 30.751 29.460 0.002 0.000 1.202 252 W HN 0.615 nan 8.180 nan 0.000 0.528 253 T N -1.047 113.662 114.554 0.258 0.000 2.770 253 T HA 0.059 4.409 4.350 0.000 0.000 0.281 253 T C 0.888 175.617 174.700 0.048 0.000 0.981 253 T CA -0.694 61.471 62.100 0.109 0.000 0.955 253 T CB 0.995 69.895 68.868 0.052 0.000 1.060 253 T HN 0.237 nan 8.240 nan 0.000 0.531 254 V N 1.530 121.460 119.914 0.026 0.000 2.515 254 V HA -0.141 3.979 4.120 0.000 0.000 0.250 254 V C 2.844 178.923 176.094 -0.025 0.000 1.058 254 V CA 2.067 64.372 62.300 0.008 0.000 1.064 254 V CB -1.333 30.495 31.823 0.008 0.000 0.675 254 V HN 0.973 nan 8.190 nan 0.000 0.461 255 N N 0.258 118.932 118.700 -0.044 0.000 2.106 255 N HA -0.202 4.538 4.740 0.000 0.000 0.188 255 N C 1.471 176.900 175.510 -0.136 0.000 1.029 255 N CA 1.671 54.675 53.050 -0.077 0.000 0.848 255 N CB -0.007 38.434 38.487 -0.076 0.000 1.007 255 N HN 0.442 nan 8.380 nan 0.000 0.423 256 D N 1.364 121.642 120.400 -0.202 0.000 2.106 256 D HA -0.155 4.485 4.640 0.000 0.000 0.191 256 D C 2.068 178.199 176.300 -0.281 0.000 0.997 256 D CA 0.790 54.549 54.000 -0.402 0.000 0.834 256 D CB -0.388 39.985 40.800 -0.711 0.000 0.956 256 D HN 0.314 nan 8.370 nan 0.000 0.448 257 I N 0.920 121.408 120.570 -0.137 0.000 2.179 257 I HA -0.207 3.963 4.170 0.000 0.000 0.242 257 I C 2.387 178.475 176.117 -0.048 0.000 1.088 257 I CA 1.120 62.389 61.300 -0.051 0.000 1.357 257 I CB -0.879 37.133 38.000 0.019 0.000 1.051 257 I HN 0.106 nan 8.210 nan 0.000 0.409 258 Q N 0.652 120.423 119.800 -0.049 0.000 2.077 258 Q HA -0.275 4.065 4.340 0.000 0.000 0.206 258 Q C 2.242 178.213 176.000 -0.049 0.000 0.989 258 Q CA 1.796 57.576 55.803 -0.038 0.000 0.853 258 Q CB -0.340 28.375 28.738 -0.037 0.000 0.907 258 Q HN 0.506 nan 8.270 nan 0.000 0.418 259 K N 0.580 120.930 120.400 -0.084 0.000 2.002 259 K HA -0.145 4.175 4.320 0.000 0.000 0.209 259 K C 2.246 178.804 176.600 -0.070 0.000 1.048 259 K CA 1.051 57.283 56.287 -0.090 0.000 0.930 259 K CB -0.312 32.107 32.500 -0.135 0.000 0.714 259 K HN 0.184 nan 8.250 nan 0.000 0.438 260 L N 1.016 122.191 121.223 -0.081 0.000 2.079 260 L HA -0.176 4.164 4.340 0.000 0.000 0.210 260 L C 2.066 178.937 176.870 0.002 0.000 1.081 260 L CA 1.095 55.912 54.840 -0.038 0.000 0.752 260 L CB -0.109 41.930 42.059 -0.032 0.000 0.896 260 L HN 0.041 nan 8.230 nan 0.000 0.433 261 V N 0.106 120.020 119.914 0.001 0.000 2.343 261 V HA -0.209 3.911 4.120 0.000 0.000 0.247 261 V C 2.651 178.764 176.094 0.031 0.000 1.051 261 V CA 1.842 64.154 62.300 0.020 0.000 1.036 261 V CB -1.369 30.464 31.823 0.016 0.000 0.654 261 V HN 0.660 nan 8.190 nan 0.000 0.451 262 G N -0.130 108.678 108.800 0.014 0.000 2.422 262 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 262 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 262 G C 1.825 176.755 174.900 0.049 0.000 1.146 262 G CA 1.556 46.670 45.100 0.023 0.000 0.769 262 G HN 0.568 nan 8.290 nan 0.000 0.547 263 K N 0.819 121.239 120.400 0.034 0.000 2.002 263 K HA 0.193 4.513 4.320 0.000 0.000 0.209 263 K C 2.430 179.103 176.600 0.121 0.000 1.048 263 K CA 1.278 57.603 56.287 0.062 0.000 0.930 263 K CB -0.980 31.540 32.500 0.034 0.000 0.714 263 K HN 0.330 nan 8.250 nan 0.000 0.438 264 L N 0.674 121.953 121.223 0.094 0.000 2.187 264 L HA -0.224 4.116 4.340 0.000 0.000 0.213 264 L C 2.592 179.531 176.870 0.115 0.000 1.100 264 L CA 1.482 56.384 54.840 0.102 0.000 0.765 264 L CB -0.287 41.818 42.059 0.075 0.000 0.904 264 L HN 0.533 nan 8.230 nan 0.000 0.437 265 N N -0.409 118.364 118.700 0.122 0.000 2.080 265 N HA -0.259 4.481 4.740 0.000 0.000 0.189 265 N C 1.681 177.288 175.510 0.162 0.000 1.036 265 N CA 1.369 54.496 53.050 0.128 0.000 0.846 265 N CB -0.276 38.288 38.487 0.127 0.000 1.015 265 N HN 0.379 nan 8.380 nan 0.000 0.423 266 W N 1.495 122.788 121.300 -0.011 0.000 2.318 266 W HA -0.251 4.409 4.660 0.000 0.000 0.313 266 W C 1.908 178.405 176.519 -0.037 0.000 1.221 266 W CA 1.901 59.221 57.345 -0.041 0.000 1.266 266 W CB -0.491 28.922 29.460 -0.080 0.000 1.150 266 W HN 0.170 nan 8.180 nan 0.000 0.496 267 A N 0.685 123.561 122.820 0.093 0.000 1.978 267 A HA -0.240 4.080 4.320 0.000 0.000 0.220 267 A C 1.963 179.491 177.584 -0.092 0.000 1.170 267 A CA 2.337 54.359 52.037 -0.024 0.000 0.636 267 A CB -1.191 17.910 19.000 0.168 0.000 0.810 267 A HN 0.351 nan 8.150 nan 0.000 0.448 268 S N -0.476 115.214 115.700 -0.018 0.000 2.423 268 S HA -0.316 4.154 4.470 0.000 0.000 0.238 268 S C 1.869 176.420 174.600 -0.081 0.000 1.028 268 S CA 1.628 59.819 58.200 -0.014 0.000 1.000 268 S CB -0.379 62.828 63.200 0.011 0.000 0.797 268 S HN 0.719 nan 8.310 nan 0.000 0.487 269 Q N 0.045 119.746 119.800 -0.165 0.000 2.156 269 Q HA -0.188 4.152 4.340 0.000 0.000 0.211 269 Q C 1.935 177.952 176.000 0.028 0.000 0.995 269 Q CA 2.008 57.750 55.803 -0.101 0.000 0.877 269 Q CB -0.119 28.469 28.738 -0.249 0.000 0.920 269 Q HN 0.630 nan 8.270 nan 0.000 0.416 270 I N -2.247 118.237 120.570 -0.143 0.000 4.197 270 I HA 0.061 4.231 4.170 0.000 0.000 0.307 270 I C -0.701 175.333 176.117 -0.139 0.000 1.236 270 I CA -0.041 61.116 61.300 -0.238 0.000 1.321 270 I CB 0.551 38.154 38.000 -0.662 0.000 1.309 270 I HN -0.056 nan 8.210 nan 0.000 0.450 271 Y N 4.505 124.750 120.300 -0.092 0.000 2.585 271 Y HA 0.391 4.941 4.550 0.000 0.000 0.354 271 Y C -2.132 173.738 175.900 -0.051 0.000 1.024 271 Y CA -3.533 54.526 58.100 -0.068 0.000 1.321 271 Y CB -0.855 37.578 38.460 -0.044 0.000 1.151 271 Y HN 0.134 nan 8.280 nan 0.000 0.525 272 P HA 0.288 nan 4.420 nan 0.000 0.277 272 P C 0.834 178.159 177.300 0.041 0.000 1.354 272 P CA 0.396 63.523 63.100 0.045 0.000 0.891 272 P CB 0.818 32.532 31.700 0.025 0.000 1.058 273 G N 3.467 112.291 108.800 0.041 0.000 3.609 273 G HA2 -0.104 3.856 3.960 0.000 0.000 0.219 273 G HA3 -0.104 3.856 3.960 0.000 0.000 0.219 273 G C -0.072 174.849 174.900 0.034 0.000 0.951 273 G CA -0.435 44.682 45.100 0.028 0.000 0.867 273 G HN 0.344 nan 8.290 nan 0.000 0.478 274 I N 2.203 122.805 120.570 0.053 0.000 2.919 274 I HA 0.118 4.288 4.170 0.000 0.000 0.299 274 I C 0.475 176.620 176.117 0.046 0.000 1.221 274 I CA 0.895 62.229 61.300 0.056 0.000 1.424 274 I CB 0.442 38.487 38.000 0.076 0.000 1.358 274 I HN 0.278 nan 8.210 nan 0.000 0.551 275 K N 6.241 126.664 120.400 0.038 0.000 2.483 275 K HA 0.460 4.780 4.320 0.000 0.000 0.256 275 K C -0.313 176.307 176.600 0.032 0.000 0.961 275 K CA -0.513 55.793 56.287 0.031 0.000 0.873 275 K CB 1.376 33.886 32.500 0.018 0.000 1.107 275 K HN 0.366 nan 8.250 nan 0.000 0.432 276 V N 4.859 124.794 119.914 0.035 0.000 3.376 276 V HA 0.061 4.181 4.120 0.000 0.000 0.313 276 V C 1.951 178.060 176.094 0.024 0.000 1.393 276 V CA -0.076 62.244 62.300 0.034 0.000 1.125 276 V CB -0.443 31.405 31.823 0.041 0.000 1.037 276 V HN 0.814 nan 8.190 nan 0.000 0.440 277 R N 1.033 121.544 120.500 0.018 0.000 2.148 277 R HA -0.241 4.099 4.340 0.000 0.000 0.230 277 R C 2.231 178.538 176.300 0.011 0.000 1.120 277 R CA 2.333 58.438 56.100 0.010 0.000 0.902 277 R CB -0.208 30.094 30.300 0.003 0.000 0.839 277 R HN 0.392 nan 8.270 nan 0.000 0.431 278 Q N 0.392 120.199 119.800 0.012 0.000 2.084 278 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 278 Q C 2.348 178.360 176.000 0.019 0.000 0.978 278 Q CA 1.478 57.289 55.803 0.013 0.000 0.844 278 Q CB -0.239 28.507 28.738 0.013 0.000 0.898 278 Q HN 0.495 nan 8.270 nan 0.000 0.426 279 L N 0.813 122.051 121.223 0.024 0.000 2.056 279 L HA -0.170 4.170 4.340 0.000 0.000 0.207 279 L C 2.602 179.487 176.870 0.024 0.000 1.078 279 L CA 1.445 56.303 54.840 0.029 0.000 0.749 279 L CB -0.525 41.555 42.059 0.035 0.000 0.901 279 L HN 0.252 nan 8.230 nan 0.000 0.433 280 S N -0.029 115.684 115.700 0.021 0.000 2.399 280 S HA -0.210 4.260 4.470 0.000 0.000 0.231 280 S C 2.267 176.875 174.600 0.014 0.000 1.022 280 S CA 1.351 59.562 58.200 0.018 0.000 0.983 280 S CB -0.505 62.706 63.200 0.018 0.000 0.803 280 S HN 0.394 nan 8.310 nan 0.000 0.480 281 K N 1.295 121.702 120.400 0.013 0.000 2.155 281 K HA 0.408 4.728 4.320 0.000 0.000 0.203 281 K C 2.667 179.275 176.600 0.013 0.000 1.052 281 K CA 1.340 57.633 56.287 0.010 0.000 0.948 281 K CB -1.984 30.520 32.500 0.007 0.000 0.728 281 K HN 0.856 nan 8.250 nan 0.000 0.448 282 L N 0.492 121.726 121.223 0.017 0.000 2.191 282 L HA 0.351 4.691 4.340 0.000 0.000 0.212 282 L C 3.191 180.072 176.870 0.019 0.000 1.103 282 L CA 2.329 57.182 54.840 0.020 0.000 0.769 282 L CB -1.935 40.141 42.059 0.028 0.000 0.908 282 L HN 0.698 nan 8.230 nan 0.000 0.438 283 L N -0.631 120.602 121.223 0.017 0.000 2.456 283 L HA 0.462 4.802 4.340 0.000 0.000 0.224 283 L C 2.227 179.103 176.870 0.011 0.000 1.148 283 L CA 1.511 56.358 54.840 0.013 0.000 0.825 283 L CB -2.580 39.485 42.059 0.009 0.000 0.937 283 L HN 0.979 nan 8.230 nan 0.000 0.450 284 R N 0.134 120.641 120.500 0.012 0.000 2.619 284 R HA 0.406 4.746 4.340 0.000 0.000 0.268 284 R C 1.507 177.814 176.300 0.011 0.000 0.990 284 R CA 0.723 56.829 56.100 0.011 0.000 1.092 284 R CB -1.474 28.832 30.300 0.010 0.000 0.935 284 R HN 2.278 nan 8.270 nan 0.000 0.415 285 G N -0.047 108.759 108.800 0.010 0.000 2.356 285 G HA2 0.220 4.180 3.960 0.000 0.000 0.233 285 G HA3 0.220 4.180 3.960 0.000 0.000 0.233 285 G C 0.572 175.477 174.900 0.008 0.000 1.105 285 G CA 0.593 45.698 45.100 0.009 0.000 0.861 285 G HN 2.074 nan 8.290 nan 0.000 0.493 286 T N -1.287 113.271 114.554 0.007 0.000 2.871 286 T HA 0.722 5.072 4.350 0.000 0.000 0.296 286 T C 1.086 175.788 174.700 0.004 0.000 0.998 286 T CA 2.317 64.420 62.100 0.005 0.000 1.162 286 T CB 0.336 69.206 68.868 0.004 0.000 0.947 286 T HN 2.007 nan 8.240 nan 0.000 0.536 287 K N 0.799 121.201 120.400 0.003 0.000 3.080 287 K HA 0.755 5.075 4.320 0.000 0.000 0.258 287 K C 0.566 177.167 176.600 0.002 0.000 2.628 287 K CA 0.798 57.087 56.287 0.003 0.000 1.553 287 K CB -0.480 32.023 32.500 0.005 0.000 2.878 287 K HN 1.858 nan 8.250 nan 0.000 0.454 288 A N 0.922 123.744 122.820 0.004 0.000 2.273 288 A HA 0.758 5.078 4.320 0.000 0.000 0.315 288 A C 1.461 179.047 177.584 0.004 0.000 1.256 288 A CA 0.192 52.231 52.037 0.004 0.000 0.851 288 A CB 0.517 19.522 19.000 0.008 0.000 1.172 288 A HN 1.605 nan 8.150 nan 0.000 0.508 289 L N 2.265 123.487 121.223 -0.002 0.000 2.068 289 L HA 0.263 4.603 4.340 0.000 0.000 0.204 289 L C 2.543 179.411 176.870 -0.002 0.000 1.076 289 L CA 2.871 57.706 54.840 -0.008 0.000 0.753 289 L CB -2.121 39.927 42.059 -0.018 0.000 0.910 289 L HN 1.032 nan 8.230 nan 0.000 0.439 290 T N -0.280 114.275 114.554 0.002 0.000 3.098 290 T HA 0.317 4.667 4.350 0.000 0.000 0.266 290 T C 1.097 175.814 174.700 0.027 0.000 1.145 290 T CA 1.072 63.180 62.100 0.013 0.000 1.092 290 T CB -1.036 67.838 68.868 0.011 0.000 0.908 290 T HN 1.051 nan 8.240 nan 0.000 0.526 291 E N 0.852 121.066 120.200 0.024 0.000 2.265 291 E HA 0.591 4.941 4.350 0.000 0.000 0.272 291 E C 0.287 176.915 176.600 0.046 0.000 1.067 291 E CA -0.054 56.364 56.400 0.031 0.000 0.900 291 E CB -0.920 28.793 29.700 0.022 0.000 1.017 291 E HN 1.104 nan 8.360 nan 0.000 0.431 292 V N 1.545 121.494 119.914 0.059 0.000 2.509 292 V HA 0.459 4.579 4.120 0.000 0.000 0.297 292 V C 0.874 177.011 176.094 0.072 0.000 1.014 292 V CA 1.028 63.378 62.300 0.085 0.000 1.127 292 V CB -0.333 31.538 31.823 0.079 0.000 0.925 292 V HN 1.286 nan 8.190 nan 0.000 0.480 293 I N 5.768 126.392 120.570 0.089 0.000 2.331 293 I HA 0.736 4.906 4.170 0.000 0.000 0.292 293 I C -1.898 174.264 176.117 0.075 0.000 0.998 293 I CA -2.556 58.787 61.300 0.071 0.000 1.267 293 I CB 0.779 38.819 38.000 0.066 0.000 1.386 293 I HN 0.736 nan 8.210 nan 0.000 0.476 294 P HA 0.673 nan 4.420 nan 0.000 0.285 294 P C -1.196 176.127 177.300 0.039 0.000 1.259 294 P CA -0.390 62.733 63.100 0.039 0.000 0.794 294 P CB 1.086 32.801 31.700 0.025 0.000 0.940 295 L N 2.685 123.931 121.223 0.037 0.000 2.307 295 L HA 0.466 4.806 4.340 0.000 0.000 0.284 295 L C 0.971 177.854 176.870 0.020 0.000 1.023 295 L CA -0.097 54.764 54.840 0.035 0.000 0.810 295 L CB 1.264 43.351 42.059 0.047 0.000 1.231 295 L HN 0.393 nan 8.230 nan 0.000 0.423 296 T N -1.618 112.946 114.554 0.018 0.000 2.899 296 T HA 0.468 4.818 4.350 0.000 0.000 0.284 296 T C 1.401 176.107 174.700 0.010 0.000 1.004 296 T CA -0.050 62.057 62.100 0.011 0.000 1.043 296 T CB 1.177 70.051 68.868 0.009 0.000 1.013 296 T HN 0.686 nan 8.240 nan 0.000 0.518 297 E N 0.792 120.996 120.200 0.005 0.000 2.172 297 E HA -0.276 4.074 4.350 0.000 0.000 0.213 297 E C 2.296 178.900 176.600 0.006 0.000 1.051 297 E CA 3.217 59.620 56.400 0.004 0.000 0.860 297 E CB -1.984 27.717 29.700 0.001 0.000 0.755 297 E HN 1.034 nan 8.360 nan 0.000 0.462 298 E N 0.061 120.265 120.200 0.006 0.000 2.023 298 E HA 0.093 4.443 4.350 0.000 0.000 0.196 298 E C 2.679 179.286 176.600 0.012 0.000 1.003 298 E CA 2.661 59.065 56.400 0.007 0.000 0.809 298 E CB -1.215 28.488 29.700 0.006 0.000 0.755 298 E HN 1.241 nan 8.360 nan 0.000 0.449 299 A N 0.841 123.671 122.820 0.016 0.000 1.917 299 A HA -0.026 4.295 4.320 0.000 0.000 0.219 299 A C 2.550 180.151 177.584 0.027 0.000 1.182 299 A CA 3.361 55.412 52.037 0.024 0.000 0.633 299 A CB -1.149 17.868 19.000 0.029 0.000 0.819 299 A HN 0.822 nan 8.150 nan 0.000 0.448 300 E N -0.863 119.351 120.200 0.023 0.000 2.051 300 E HA 0.024 4.374 4.350 0.000 0.000 0.192 300 E C 2.433 179.044 176.600 0.018 0.000 0.991 300 E CA 2.456 58.869 56.400 0.022 0.000 0.799 300 E CB -1.689 28.018 29.700 0.012 0.000 0.748 300 E HN 1.360 nan 8.360 nan 0.000 0.449 301 L N 0.770 122.001 121.223 0.012 0.000 2.013 301 L HA 0.053 4.393 4.340 0.000 0.000 0.212 301 L C 2.897 179.774 176.870 0.012 0.000 1.073 301 L CA 3.960 58.806 54.840 0.009 0.000 0.753 301 L CB -2.231 39.831 42.059 0.005 0.000 0.890 301 L HN 0.766 nan 8.230 nan 0.000 0.432 302 E N -0.184 120.025 120.200 0.016 0.000 2.021 302 E HA -0.299 4.051 4.350 0.000 0.000 0.200 302 E C 2.273 178.887 176.600 0.024 0.000 1.015 302 E CA 1.835 58.246 56.400 0.018 0.000 0.824 302 E CB -1.115 28.598 29.700 0.022 0.000 0.762 302 E HN 0.836 nan 8.360 nan 0.000 0.454 303 L N 0.718 121.961 121.223 0.032 0.000 2.010 303 L HA -0.173 4.167 4.340 0.000 0.000 0.219 303 L C 2.823 179.710 176.870 0.030 0.000 1.077 303 L CA 3.037 57.901 54.840 0.040 0.000 0.773 303 L CB -0.988 41.103 42.059 0.053 0.000 0.892 303 L HN 0.471 nan 8.230 nan 0.000 0.436 304 A N -0.924 121.909 122.820 0.022 0.000 1.859 304 A HA -0.295 4.026 4.320 0.000 0.000 0.217 304 A C 2.119 179.707 177.584 0.008 0.000 1.198 304 A CA 2.141 54.186 52.037 0.013 0.000 0.629 304 A CB -0.867 18.137 19.000 0.008 0.000 0.830 304 A HN 0.649 nan 8.150 nan 0.000 0.446 305 E N -0.389 119.815 120.200 0.007 0.000 2.033 305 E HA -0.250 4.100 4.350 0.000 0.000 0.199 305 E C 1.996 178.596 176.600 -0.000 0.000 1.011 305 E CA 1.610 58.011 56.400 0.001 0.000 0.815 305 E CB -0.391 29.310 29.700 0.002 0.000 0.755 305 E HN 0.758 nan 8.360 nan 0.000 0.451 306 N N 0.312 119.018 118.700 0.009 0.000 2.166 306 N HA -0.162 4.578 4.740 0.000 0.000 0.186 306 N C 1.958 177.470 175.510 0.004 0.000 1.019 306 N CA 0.463 53.520 53.050 0.013 0.000 0.856 306 N CB -0.053 38.453 38.487 0.031 0.000 0.993 306 N HN 0.028 nan 8.380 nan 0.000 0.426 307 R N 1.281 121.787 120.500 0.009 0.000 2.103 307 R HA -0.189 4.151 4.340 0.000 0.000 0.242 307 R C 1.991 178.280 176.300 -0.017 0.000 1.142 307 R CA 1.540 57.644 56.100 0.007 0.000 0.960 307 R CB -0.020 30.290 30.300 0.016 0.000 0.858 307 R HN 0.325 nan 8.270 nan 0.000 0.439 308 E N 0.060 120.245 120.200 -0.026 0.000 2.107 308 E HA -0.127 4.223 4.350 0.000 0.000 0.191 308 E C 1.962 178.514 176.600 -0.081 0.000 0.982 308 E CA 0.925 57.299 56.400 -0.044 0.000 0.809 308 E CB 0.030 29.710 29.700 -0.033 0.000 0.756 308 E HN 0.369 nan 8.360 nan 0.000 0.459 309 I N 1.333 121.853 120.570 -0.083 0.000 2.208 309 I HA -0.289 3.881 4.170 0.000 0.000 0.245 309 I C 2.544 178.499 176.117 -0.271 0.000 1.097 309 I CA 0.719 61.936 61.300 -0.138 0.000 1.363 309 I CB -0.408 37.542 38.000 -0.083 0.000 1.051 309 I HN 0.296 nan 8.210 nan 0.000 0.413 310 L N 1.647 122.754 121.223 -0.194 0.000 2.083 310 L HA -0.254 4.086 4.340 0.000 0.000 0.209 310 L C 3.058 179.782 176.870 -0.242 0.000 1.083 310 L CA 2.436 57.138 54.840 -0.230 0.000 0.752 310 L CB -1.039 41.009 42.059 -0.018 0.000 0.899 310 L HN 0.273 nan 8.230 nan 0.000 0.433 311 K N 0.461 120.773 120.400 -0.146 0.000 2.160 311 K HA -0.163 4.157 4.320 0.000 0.000 0.206 311 K C 1.078 177.593 176.600 -0.142 0.000 1.047 311 K CA 1.584 57.809 56.287 -0.102 0.000 0.930 311 K CB -1.620 30.840 32.500 -0.066 0.000 0.720 311 K HN 0.612 nan 8.250 nan 0.000 0.450 312 E N 2.527 122.587 120.200 -0.232 0.000 2.070 312 E HA 0.305 4.655 4.350 0.000 0.000 0.282 312 E C -2.458 173.935 176.600 -0.344 0.000 1.104 312 E CA -2.140 54.123 56.400 -0.228 0.000 0.876 312 E CB 0.045 29.621 29.700 -0.205 0.000 1.055 312 E HN 0.483 nan 8.360 nan 0.000 0.401 313 P HA 0.164 nan 4.420 nan 0.000 0.244 313 P C -0.310 177.132 177.300 0.237 0.000 1.769 313 P CA -0.260 62.905 63.100 0.108 0.000 1.102 313 P CB 0.195 31.964 31.700 0.114 0.000 1.937 314 V N 5.608 125.764 119.914 0.405 0.000 2.572 314 V HA 0.026 4.146 4.120 0.000 0.000 0.291 314 V C 1.342 177.551 176.094 0.190 0.000 1.039 314 V CA -0.150 62.335 62.300 0.308 0.000 1.055 314 V CB -0.334 31.647 31.823 0.265 0.000 0.969 314 V HN 0.573 nan 8.190 nan 0.000 0.482 315 H N 3.033 122.107 119.070 0.007 0.000 2.505 315 H HA 0.665 5.221 4.556 0.000 0.000 0.351 315 H C 0.083 175.282 175.328 -0.216 0.000 1.151 315 H CA -0.880 55.111 56.048 -0.094 0.000 1.339 315 H CB 1.473 31.209 29.762 -0.044 0.000 1.483 315 H HN 0.656 nan 8.280 nan 0.000 0.558 316 G N 0.895 109.459 108.800 -0.393 0.000 2.461 316 G HA2 0.443 4.403 3.960 0.000 0.000 0.323 316 G HA3 0.443 4.403 3.960 0.000 0.000 0.323 316 G C -0.858 173.979 174.900 -0.106 0.000 1.229 316 G CA -0.561 44.141 45.100 -0.662 0.000 0.941 316 G HN 0.572 nan 8.290 nan 0.000 0.477 317 V N 1.361 121.415 119.914 0.233 0.000 3.234 317 V HA 0.631 4.751 4.120 0.000 0.000 0.317 317 V C -0.436 176.161 176.094 0.837 0.000 1.081 317 V CA -0.647 61.951 62.300 0.496 0.000 1.037 317 V CB 1.508 33.511 31.823 0.300 0.000 1.148 317 V HN 0.603 nan 8.190 nan 0.000 0.453 318 Y N 0.850 121.362 120.300 0.355 0.000 2.612 318 Y HA 0.454 5.004 4.550 0.000 0.000 0.334 318 Y C -0.157 175.911 175.900 0.279 0.000 1.227 318 Y CA -1.131 57.166 58.100 0.328 0.000 1.356 318 Y CB 0.349 38.956 38.460 0.245 0.000 1.534 318 Y HN 0.596 nan 8.280 nan 0.000 0.576 319 Y N 0.766 121.224 120.300 0.263 0.000 2.496 319 Y HA 0.423 4.973 4.550 0.000 0.000 0.331 319 Y C -0.825 175.135 175.900 0.100 0.000 1.140 319 Y CA -1.298 56.868 58.100 0.109 0.000 1.166 319 Y CB 1.403 39.910 38.460 0.077 0.000 1.249 319 Y HN 0.590 nan 8.280 nan 0.000 0.479 320 D N 5.592 125.401 120.400 -0.986 0.000 2.602 320 D HA 0.258 4.898 4.640 0.000 0.000 0.245 320 D C -2.804 172.856 176.300 -1.067 0.000 1.325 320 D CA -1.876 51.682 54.000 -0.736 0.000 0.952 320 D CB 2.538 43.145 40.800 -0.320 0.000 1.317 320 D HN 0.301 nan 8.370 nan 0.000 0.577 321 P HA 0.072 nan 4.420 nan 0.000 0.261 321 P C 0.432 177.645 177.300 -0.146 0.000 1.650 321 P CA 0.396 63.332 63.100 -0.274 0.000 0.846 321 P CB -0.150 31.548 31.700 -0.003 0.000 1.758 322 S N -3.413 112.171 115.700 -0.193 0.000 2.648 322 S HA 0.258 4.728 4.470 0.000 0.000 0.270 322 S C 0.876 175.423 174.600 -0.088 0.000 1.082 322 S CA -0.264 57.876 58.200 -0.099 0.000 1.116 322 S CB -0.225 62.927 63.200 -0.081 0.000 1.040 322 S HN 0.123 nan 8.310 nan 0.000 0.572 323 K N 1.664 121.986 120.400 -0.130 0.000 2.159 323 K HA 0.584 4.904 4.320 0.000 0.000 0.266 323 K C -0.957 175.605 176.600 -0.063 0.000 0.975 323 K CA -0.617 55.620 56.287 -0.084 0.000 0.865 323 K CB 0.238 32.690 32.500 -0.080 0.000 1.087 323 K HN 0.236 nan 8.250 nan 0.000 0.446 324 D N 1.649 122.023 120.400 -0.042 0.000 2.425 324 D HA 0.131 4.771 4.640 0.000 0.000 0.247 324 D C 0.008 176.256 176.300 -0.086 0.000 1.147 324 D CA 0.016 53.988 54.000 -0.047 0.000 0.879 324 D CB 0.597 41.365 40.800 -0.054 0.000 1.179 324 D HN 0.488 nan 8.370 nan 0.000 0.456 325 L N 3.767 124.921 121.223 -0.114 0.000 2.426 325 L HA 0.262 4.602 4.340 0.000 0.000 0.271 325 L C 0.152 176.811 176.870 -0.351 0.000 1.169 325 L CA -0.089 54.606 54.840 -0.242 0.000 0.836 325 L CB 0.454 42.322 42.059 -0.319 0.000 1.112 325 L HN 0.278 nan 8.230 nan 0.000 0.465 326 I N 2.298 122.564 120.570 -0.506 0.000 2.689 326 I HA 0.625 4.796 4.170 0.000 0.000 0.299 326 I C -0.517 175.166 176.117 -0.724 0.000 1.059 326 I CA -0.811 60.088 61.300 -0.669 0.000 1.055 326 I CB 2.031 39.475 38.000 -0.928 0.000 1.243 326 I HN 0.545 nan 8.210 nan 0.000 0.425 327 A N 3.964 126.430 122.820 -0.589 0.000 2.375 327 A HA 0.559 4.879 4.320 0.000 0.000 0.291 327 A C -0.849 176.703 177.584 -0.055 0.000 1.160 327 A CA -0.457 51.385 52.037 -0.325 0.000 0.747 327 A CB 1.160 19.905 19.000 -0.425 0.000 1.170 327 A HN 0.804 nan 8.150 nan 0.000 0.458 328 E N 2.269 122.490 120.200 0.036 0.000 2.191 328 E HA 0.674 5.024 4.350 0.000 0.000 0.278 328 E C -1.125 175.615 176.600 0.233 0.000 0.972 328 E CA -0.418 56.072 56.400 0.151 0.000 0.804 328 E CB 1.149 30.963 29.700 0.191 0.000 1.110 328 E HN 0.656 nan 8.360 nan 0.000 0.394 329 I N 3.077 123.788 120.570 0.234 0.000 2.569 329 I HA 0.258 4.428 4.170 0.000 0.000 0.296 329 I C -0.651 175.604 176.117 0.230 0.000 1.028 329 I CA -0.739 60.725 61.300 0.273 0.000 1.082 329 I CB 2.017 40.173 38.000 0.261 0.000 1.264 329 I HN 0.435 nan 8.210 nan 0.000 0.429 330 Q N 4.932 124.867 119.800 0.225 0.000 2.337 330 Q HA 0.340 4.680 4.340 0.000 0.000 0.270 330 Q C -0.814 175.198 176.000 0.020 0.000 1.043 330 Q CA -1.010 54.862 55.803 0.114 0.000 0.794 330 Q CB 3.053 31.833 28.738 0.070 0.000 1.281 330 Q HN 0.298 nan 8.270 nan 0.000 0.446 331 K N 3.279 123.576 120.400 -0.171 0.000 2.292 331 K HA 0.118 4.438 4.320 0.000 0.000 0.290 331 K C -0.854 175.466 176.600 -0.467 0.000 1.083 331 K CA 0.226 56.119 56.287 -0.657 0.000 0.918 331 K CB 0.779 32.833 32.500 -0.743 0.000 1.089 331 K HN 0.726 nan 8.250 nan 0.000 0.473 332 Q N 2.803 122.316 119.800 -0.477 0.000 2.252 332 Q HA 0.436 4.776 4.340 0.000 0.000 0.256 332 Q C 0.459 176.288 176.000 -0.286 0.000 1.020 332 Q CA -0.001 55.641 55.803 -0.268 0.000 0.913 332 Q CB 1.066 29.723 28.738 -0.135 0.000 1.286 332 Q HN 0.807 nan 8.270 nan 0.000 0.480 333 G N 0.841 109.546 108.800 -0.158 0.000 2.551 333 G HA2 -0.419 3.541 3.960 0.000 0.000 0.383 333 G HA3 -0.419 3.541 3.960 0.000 0.000 0.383 333 G C 0.348 175.166 174.900 -0.137 0.000 1.370 333 G CA 1.032 46.062 45.100 -0.117 0.000 0.940 333 G HN 0.774 nan 8.290 nan 0.000 0.524 334 Q N -1.171 118.575 119.800 -0.090 0.000 2.389 334 Q HA 0.276 4.616 4.340 0.000 0.000 0.198 334 Q C 2.212 178.192 176.000 -0.033 0.000 0.967 334 Q CA 1.048 56.818 55.803 -0.057 0.000 0.863 334 Q CB 0.056 28.782 28.738 -0.020 0.000 0.987 334 Q HN 0.908 nan 8.270 nan 0.000 0.557 335 G N 0.969 109.768 108.800 -0.002 0.000 3.774 335 G HA2 0.151 4.112 3.960 0.000 0.000 0.287 335 G HA3 0.151 4.112 3.960 0.000 0.000 0.287 335 G C -0.562 174.398 174.900 0.101 0.000 1.030 335 G CA -0.186 44.959 45.100 0.076 0.000 0.824 335 G HN 0.197 nan 8.290 nan 0.000 0.518 336 Q N 0.078 119.897 119.800 0.031 0.000 2.353 336 Q HA 0.541 4.881 4.340 0.000 0.000 0.268 336 Q C -1.679 174.355 176.000 0.057 0.000 1.045 336 Q CA -0.908 54.939 55.803 0.073 0.000 0.811 336 Q CB 2.068 30.814 28.738 0.012 0.000 1.305 336 Q HN 0.199 nan 8.270 nan 0.000 0.447 337 W N 0.966 122.269 121.300 0.006 0.000 2.864 337 W HA 0.569 5.229 4.660 0.000 0.000 0.343 337 W C -0.340 176.275 176.519 0.160 0.000 1.109 337 W CA -0.491 56.911 57.345 0.095 0.000 1.192 337 W CB 2.274 31.828 29.460 0.156 0.000 1.426 337 W HN 0.446 nan 8.180 nan 0.000 0.529 338 T N 1.831 116.617 114.554 0.387 0.000 2.900 338 T HA 0.724 5.074 4.350 0.000 0.000 0.295 338 T C -1.766 173.155 174.700 0.369 0.000 1.044 338 T CA -0.436 61.841 62.100 0.294 0.000 0.995 338 T CB 0.818 69.763 68.868 0.129 0.000 1.072 338 T HN 0.337 nan 8.240 nan 0.000 0.473 339 Y N 1.317 121.715 120.300 0.165 0.000 2.571 339 Y HA 0.737 5.287 4.550 0.000 0.000 0.341 339 Y C -1.482 174.496 175.900 0.130 0.000 1.076 339 Y CA -1.254 56.938 58.100 0.153 0.000 1.029 339 Y CB 1.393 39.951 38.460 0.163 0.000 1.308 339 Y HN 0.514 nan 8.280 nan 0.000 0.461 340 Q N 3.754 123.643 119.800 0.149 0.000 2.274 340 Q HA 0.540 4.880 4.340 0.000 0.000 0.268 340 Q C -1.491 174.596 176.000 0.146 0.000 1.015 340 Q CA -0.635 55.221 55.803 0.090 0.000 0.775 340 Q CB 2.747 31.543 28.738 0.098 0.000 1.256 340 Q HN 0.897 nan 8.270 nan 0.000 0.442 341 I N 3.859 124.500 120.570 0.119 0.000 2.336 341 I HA 0.421 4.591 4.170 0.000 0.000 0.292 341 I C -0.809 175.272 176.117 -0.060 0.000 0.991 341 I CA -1.046 60.225 61.300 -0.050 0.000 1.227 341 I CB 0.491 38.475 38.000 -0.027 0.000 1.366 341 I HN 0.580 nan 8.210 nan 0.000 0.466 342 Y N 4.312 124.537 120.300 -0.125 0.000 2.553 342 Y HA 0.514 5.064 4.550 0.000 0.000 0.347 342 Y C 0.009 175.833 175.900 -0.128 0.000 1.019 342 Y CA -0.994 57.041 58.100 -0.108 0.000 1.032 342 Y CB 0.993 39.398 38.460 -0.092 0.000 1.284 342 Y HN 0.389 nan 8.280 nan 0.000 0.466 343 Q N 1.090 120.999 119.800 0.181 0.000 2.225 343 Q HA 0.132 4.472 4.340 0.000 0.000 0.193 343 Q C -0.466 175.648 176.000 0.190 0.000 0.990 343 Q CA 0.626 56.495 55.803 0.109 0.000 0.841 343 Q CB 0.073 28.832 28.738 0.036 0.000 0.941 343 Q HN 0.906 nan 8.270 nan 0.000 0.516 344 E N 2.094 122.370 120.200 0.127 0.000 2.392 344 E HA -0.027 4.323 4.350 0.000 0.000 0.264 344 E C -1.848 174.741 176.600 -0.019 0.000 1.024 344 E CA -1.133 55.311 56.400 0.072 0.000 0.903 344 E CB 0.563 30.302 29.700 0.064 0.000 0.963 344 E HN 0.089 nan 8.360 nan 0.000 0.432 345 P HA -0.105 nan 4.420 nan 0.000 0.234 345 P C -0.222 176.812 177.300 -0.444 0.000 1.162 345 P CA 1.217 64.169 63.100 -0.247 0.000 0.759 345 P CB 0.184 31.871 31.700 -0.022 0.000 0.813 346 F N -2.058 117.726 119.950 -0.277 0.000 3.087 346 F HA 0.190 4.717 4.527 0.000 0.000 0.371 346 F C 0.384 176.096 175.800 -0.146 0.000 1.144 346 F CA -0.245 57.616 58.000 -0.231 0.000 1.030 346 F CB 0.888 39.804 39.000 -0.139 0.000 1.366 346 F HN -0.415 nan 8.300 nan 0.000 0.522 347 K N 1.803 122.213 120.400 0.016 0.000 2.404 347 K HA 0.290 4.610 4.320 0.000 0.000 0.257 347 K C -0.620 176.016 176.600 0.060 0.000 1.026 347 K CA -0.449 55.872 56.287 0.056 0.000 0.951 347 K CB 0.578 33.136 32.500 0.097 0.000 1.203 347 K HN -0.076 nan 8.250 nan 0.000 0.446 348 N N 2.675 121.388 118.700 0.021 0.000 2.359 348 N HA -0.084 4.656 4.740 0.000 0.000 0.261 348 N C 1.051 176.655 175.510 0.158 0.000 1.267 348 N CA 0.226 53.318 53.050 0.069 0.000 0.864 348 N CB 0.692 39.179 38.487 0.001 0.000 1.063 348 N HN 0.503 nan 8.380 nan 0.000 0.474 349 L N 2.158 123.515 121.223 0.223 0.000 2.262 349 L HA 0.202 4.543 4.340 0.000 0.000 0.197 349 L C 0.712 177.890 176.870 0.514 0.000 1.073 349 L CA 0.749 55.790 54.840 0.335 0.000 0.800 349 L CB 0.204 42.360 42.059 0.162 0.000 0.987 349 L HN 0.439 nan 8.230 nan 0.000 0.470 350 K N -0.921 119.713 120.400 0.390 0.000 2.542 350 K HA 0.346 4.666 4.320 0.000 0.000 0.259 350 K C -1.556 175.156 176.600 0.186 0.000 0.932 350 K CA -0.429 56.111 56.287 0.422 0.000 0.820 350 K CB 2.269 35.040 32.500 0.451 0.000 1.345 350 K HN -0.200 nan 8.250 nan 0.000 0.432 351 T N 0.824 115.426 114.554 0.080 0.000 2.876 351 T HA 0.728 5.078 4.350 0.000 0.000 0.289 351 T C -0.732 173.771 174.700 -0.327 0.000 1.014 351 T CA -0.638 61.370 62.100 -0.153 0.000 0.986 351 T CB 1.736 70.556 68.868 -0.079 0.000 1.021 351 T HN 0.727 nan 8.240 nan 0.000 0.458 352 G N 1.418 109.719 108.800 -0.831 0.000 2.684 352 G HA2 0.742 4.702 3.960 0.000 0.000 0.290 352 G HA3 0.742 4.702 3.960 0.000 0.000 0.290 352 G C -1.943 172.698 174.900 -0.432 0.000 1.425 352 G CA -1.089 43.613 45.100 -0.663 0.000 0.822 352 G HN 0.773 nan 8.290 nan 0.000 0.482 353 K N -0.447 120.038 120.400 0.141 0.000 2.507 353 K HA 0.534 4.854 4.320 0.000 0.000 0.251 353 K C -1.882 174.964 176.600 0.409 0.000 0.943 353 K CA -1.014 55.450 56.287 0.296 0.000 0.794 353 K CB 2.363 34.954 32.500 0.153 0.000 1.188 353 K HN 0.384 nan 8.250 nan 0.000 0.428 354 Y N 2.865 123.357 120.300 0.321 0.000 2.404 354 Y HA 0.422 4.973 4.550 0.000 0.000 0.344 354 Y C -0.710 175.300 175.900 0.184 0.000 0.995 354 Y CA -1.192 57.016 58.100 0.180 0.000 1.201 354 Y CB 0.827 39.314 38.460 0.044 0.000 1.151 354 Y HN 0.816 nan 8.280 nan 0.000 0.517 355 A N 6.532 129.189 122.820 -0.272 0.000 2.391 355 A HA 0.629 4.949 4.320 0.000 0.000 0.316 355 A C 0.499 177.723 177.584 -0.599 0.000 1.381 355 A CA -0.374 51.485 52.037 -0.296 0.000 0.998 355 A CB -0.631 18.322 19.000 -0.079 0.000 1.147 355 A HN 0.981 nan 8.150 nan 0.000 0.545 356 R N 1.507 121.664 120.500 -0.571 0.000 2.446 356 R HA 0.479 4.819 4.340 0.000 0.000 0.314 356 R C 0.443 176.640 176.300 -0.171 0.000 1.003 356 R CA 0.906 56.748 56.100 -0.431 0.000 1.018 356 R CB -0.503 29.719 30.300 -0.130 0.000 0.945 356 R HN 2.056 nan 8.270 nan 0.000 0.419 357 M N 1.006 120.541 119.600 -0.107 0.000 1.899 357 M HA 0.269 4.749 4.480 0.000 0.000 0.358 357 M C 2.203 178.515 176.300 0.021 0.000 0.844 357 M CA 1.264 56.547 55.300 -0.028 0.000 1.164 357 M CB -1.085 31.502 32.600 -0.023 0.000 2.268 357 M HN 1.342 nan 8.290 nan 0.000 0.789 358 R N 1.499 122.032 120.500 0.055 0.000 2.189 358 R HA 0.227 4.567 4.340 0.000 0.000 0.252 358 R C 1.685 178.033 176.300 0.079 0.000 1.134 358 R CA 2.771 58.924 56.100 0.087 0.000 0.954 358 R CB -1.543 28.834 30.300 0.128 0.000 0.890 358 R HN 2.288 nan 8.270 nan 0.000 0.443 359 G N -3.494 105.353 108.800 0.079 0.000 2.718 359 G HA2 0.680 4.640 3.960 0.000 0.000 0.295 359 G HA3 0.680 4.640 3.960 0.000 0.000 0.295 359 G C -0.886 174.050 174.900 0.061 0.000 1.421 359 G CA -0.104 45.048 45.100 0.087 0.000 0.902 359 G HN 1.044 nan 8.290 nan 0.000 0.501 360 A N 0.339 123.181 122.820 0.037 0.000 2.322 360 A HA 0.697 5.017 4.320 0.000 0.000 0.269 360 A C 0.481 178.044 177.584 -0.036 0.000 1.094 360 A CA -0.012 51.961 52.037 -0.106 0.000 0.807 360 A CB -0.218 18.631 19.000 -0.250 0.000 1.047 360 A HN 1.720 nan 8.150 nan 0.000 0.487 361 H N -0.721 118.398 119.070 0.082 0.000 2.889 361 H HA -0.116 4.440 4.556 0.000 0.000 0.324 361 H C -0.273 175.119 175.328 0.107 0.000 1.274 361 H CA 0.721 56.821 56.048 0.087 0.000 1.176 361 H CB -2.296 27.511 29.762 0.074 0.000 1.479 361 H HN 0.646 nan 8.280 nan 0.000 0.438 362 T N 0.679 115.331 114.554 0.162 0.000 2.829 362 T HA 0.151 4.501 4.350 0.000 0.000 0.282 362 T C 0.661 175.429 174.700 0.114 0.000 0.990 362 T CA -0.951 61.237 62.100 0.146 0.000 1.028 362 T CB 1.460 70.396 68.868 0.113 0.000 0.951 362 T HN 0.512 nan 8.240 nan 0.000 0.460 363 N N 2.114 120.860 118.700 0.078 0.000 2.513 363 N HA -0.032 4.708 4.740 0.000 0.000 0.268 363 N C 0.123 175.561 175.510 -0.122 0.000 1.180 363 N CA -0.270 52.752 53.050 -0.047 0.000 0.948 363 N CB 0.999 39.376 38.487 -0.184 0.000 1.083 363 N HN 0.435 nan 8.380 nan 0.000 0.455 364 D N 2.982 123.334 120.400 -0.080 0.000 2.117 364 D HA -0.122 4.518 4.640 0.000 0.000 0.197 364 D C 1.855 178.069 176.300 -0.143 0.000 0.987 364 D CA 1.016 55.038 54.000 0.037 0.000 0.829 364 D CB 0.062 40.928 40.800 0.110 0.000 0.961 364 D HN 0.391 nan 8.370 nan 0.000 0.460 365 V N 0.728 120.379 119.914 -0.438 0.000 2.380 365 V HA -0.297 3.823 4.120 0.000 0.000 0.251 365 V C 2.669 178.358 176.094 -0.674 0.000 1.063 365 V CA 2.525 64.428 62.300 -0.661 0.000 1.055 365 V CB -0.911 30.177 31.823 -1.225 0.000 0.657 365 V HN 0.381 nan 8.190 nan 0.000 0.455 366 K N -0.636 119.368 120.400 -0.660 0.000 2.026 366 K HA -0.251 4.069 4.320 0.000 0.000 0.208 366 K C 2.017 178.456 176.600 -0.269 0.000 1.048 366 K CA 1.911 58.005 56.287 -0.320 0.000 0.929 366 K CB -0.801 31.635 32.500 -0.105 0.000 0.713 366 K HN 0.607 nan 8.250 nan 0.000 0.439 367 Q N -0.675 118.959 119.800 -0.276 0.000 2.045 367 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 367 Q C 2.268 177.799 176.000 -0.781 0.000 0.991 367 Q CA 1.795 57.350 55.803 -0.413 0.000 0.851 367 Q CB -0.325 28.207 28.738 -0.343 0.000 0.911 367 Q HN 0.484 nan 8.270 nan 0.000 0.418 368 L N 0.377 121.074 121.223 -0.877 0.000 1.978 368 L HA -0.251 4.089 4.340 0.000 0.000 0.218 368 L C 2.148 178.702 176.870 -0.527 0.000 1.075 368 L CA 2.443 56.819 54.840 -0.774 0.000 0.767 368 L CB -1.160 40.696 42.059 -0.338 0.000 0.890 368 L HN 0.222 nan 8.230 nan 0.000 0.434 369 T N -0.486 113.873 114.554 -0.325 0.000 2.699 369 T HA -0.239 4.111 4.350 0.000 0.000 0.268 369 T C 1.705 176.200 174.700 -0.342 0.000 1.036 369 T CA 1.847 63.821 62.100 -0.211 0.000 1.147 369 T CB -0.371 68.490 68.868 -0.011 0.000 0.862 369 T HN 0.504 nan 8.240 nan 0.000 0.446 370 E N 0.964 120.938 120.200 -0.377 0.000 2.038 370 E HA -0.116 4.234 4.350 0.000 0.000 0.195 370 E C 2.665 178.857 176.600 -0.680 0.000 1.000 370 E CA 1.089 57.212 56.400 -0.462 0.000 0.803 370 E CB -0.292 29.161 29.700 -0.411 0.000 0.750 370 E HN 0.509 nan 8.360 nan 0.000 0.448 371 A N 1.057 123.417 122.820 -0.767 0.000 1.940 371 A HA -0.179 4.141 4.320 0.000 0.000 0.219 371 A C 2.518 179.738 177.584 -0.606 0.000 1.176 371 A CA 1.435 53.035 52.037 -0.728 0.000 0.631 371 A CB -0.779 17.930 19.000 -0.486 0.000 0.814 371 A HN 0.123 nan 8.150 nan 0.000 0.446 372 V N -0.282 119.266 119.914 -0.610 0.000 2.231 372 V HA -0.341 3.780 4.120 0.000 0.000 0.248 372 V C 2.727 178.487 176.094 -0.557 0.000 1.054 372 V CA 2.458 64.307 62.300 -0.752 0.000 1.015 372 V CB -0.983 30.314 31.823 -0.876 0.000 0.638 372 V HN 0.645 nan 8.190 nan 0.000 0.444 373 Q N 0.655 120.191 119.800 -0.440 0.000 2.061 373 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 373 Q C 2.147 177.981 176.000 -0.276 0.000 0.984 373 Q CA 2.261 57.886 55.803 -0.297 0.000 0.846 373 Q CB -0.567 28.022 28.738 -0.247 0.000 0.902 373 Q HN 0.580 nan 8.270 nan 0.000 0.421 374 K N 0.215 120.388 120.400 -0.378 0.000 2.089 374 K HA -0.156 4.164 4.320 0.000 0.000 0.210 374 K C 1.806 178.233 176.600 -0.287 0.000 1.048 374 K CA 1.847 57.923 56.287 -0.352 0.000 0.926 374 K CB -0.684 31.511 32.500 -0.509 0.000 0.714 374 K HN 0.405 nan 8.250 nan 0.000 0.448 375 I N 0.278 120.642 120.570 -0.344 0.000 2.202 375 I HA -0.254 3.916 4.170 0.000 0.000 0.242 375 I C 1.933 178.038 176.117 -0.020 0.000 1.091 375 I CA 1.672 62.831 61.300 -0.234 0.000 1.368 375 I CB -0.503 37.388 38.000 -0.182 0.000 1.058 375 I HN 0.226 nan 8.210 nan 0.000 0.410 376 T N 0.001 114.571 114.554 0.027 0.000 2.665 376 T HA -0.219 4.131 4.350 0.000 0.000 0.268 376 T C 1.883 176.578 174.700 -0.008 0.000 1.035 376 T CA 2.193 64.334 62.100 0.068 0.000 1.151 376 T CB -0.618 68.275 68.868 0.042 0.000 0.862 376 T HN 0.363 nan 8.240 nan 0.000 0.438 377 T N 1.570 116.086 114.554 -0.063 0.000 2.622 377 T HA -0.159 4.191 4.350 0.000 0.000 0.266 377 T C 1.931 176.571 174.700 -0.101 0.000 1.047 377 T CA 1.618 63.672 62.100 -0.078 0.000 1.159 377 T CB -0.375 68.436 68.868 -0.095 0.000 0.863 377 T HN 0.570 nan 8.240 nan 0.000 0.422 378 E N 0.439 120.570 120.200 -0.116 0.000 2.153 378 E HA -0.152 4.198 4.350 0.000 0.000 0.194 378 E C 2.364 178.799 176.600 -0.275 0.000 0.988 378 E CA 1.226 57.522 56.400 -0.174 0.000 0.811 378 E CB -0.139 29.484 29.700 -0.128 0.000 0.746 378 E HN 0.413 nan 8.360 nan 0.000 0.466 379 S N 0.384 116.003 115.700 -0.135 0.000 2.335 379 S HA -0.142 4.329 4.470 0.000 0.000 0.216 379 S C 2.079 176.593 174.600 -0.144 0.000 1.032 379 S CA 1.205 59.364 58.200 -0.069 0.000 1.000 379 S CB -0.324 63.020 63.200 0.240 0.000 0.928 379 S HN 0.337 nan 8.310 nan 0.000 0.434 380 I N 1.953 122.487 120.570 -0.060 0.000 2.103 380 I HA -0.222 3.948 4.170 0.000 0.000 0.241 380 I C 2.476 178.512 176.117 -0.134 0.000 1.036 380 I CA 1.655 62.918 61.300 -0.061 0.000 1.300 380 I CB -1.731 36.245 38.000 -0.041 0.000 1.010 380 I HN 0.245 nan 8.210 nan 0.000 0.406 381 V N 1.052 120.858 119.914 -0.180 0.000 2.252 381 V HA -0.295 3.825 4.120 0.000 0.000 0.249 381 V C 2.408 178.324 176.094 -0.297 0.000 1.056 381 V CA 2.186 64.366 62.300 -0.201 0.000 1.022 381 V CB -0.457 31.247 31.823 -0.198 0.000 0.641 381 V HN 0.314 nan 8.190 nan 0.000 0.445 382 I N -2.168 118.089 120.570 -0.522 0.000 2.235 382 I HA -0.116 4.054 4.170 0.000 0.000 0.241 382 I C 2.367 178.053 176.117 -0.718 0.000 1.085 382 I CA 1.480 62.315 61.300 -0.774 0.000 1.378 382 I CB -0.306 36.853 38.000 -1.403 0.000 1.076 382 I HN 0.338 nan 8.210 nan 0.000 0.415 383 W N 0.032 121.185 121.300 -0.245 0.000 2.848 383 W HA 0.331 4.991 4.660 0.000 0.000 0.288 383 W C 1.710 178.090 176.519 -0.232 0.000 1.060 383 W CA 1.201 58.331 57.345 -0.358 0.000 1.712 383 W CB -0.887 28.239 29.460 -0.556 0.000 1.155 383 W HN 0.250 nan 8.180 nan 0.000 0.540 384 G N 0.031 108.856 108.800 0.042 0.000 2.870 384 G HA2 -0.076 3.884 3.960 0.000 0.000 0.216 384 G HA3 -0.076 3.884 3.960 0.000 0.000 0.216 384 G C 0.019 174.945 174.900 0.042 0.000 0.973 384 G CA -0.049 45.067 45.100 0.026 0.000 0.807 384 G HN 0.233 nan 8.290 nan 0.000 0.573 385 K N -0.371 120.064 120.400 0.060 0.000 2.499 385 K HA 0.724 5.044 4.320 0.000 0.000 0.277 385 K C -0.718 175.909 176.600 0.044 0.000 1.025 385 K CA -0.420 55.894 56.287 0.046 0.000 0.900 385 K CB 1.094 33.618 32.500 0.040 0.000 1.494 385 K HN 0.402 nan 8.250 nan 0.000 0.442 386 T N -0.247 114.319 114.554 0.020 0.000 2.837 386 T HA 0.479 4.829 4.350 0.000 0.000 0.285 386 T C -2.169 172.464 174.700 -0.112 0.000 0.984 386 T CA -1.392 60.705 62.100 -0.004 0.000 1.049 386 T CB 0.913 69.805 68.868 0.040 0.000 0.947 386 T HN 0.443 nan 8.240 nan 0.000 0.472 387 P HA 0.395 nan 4.420 nan 0.000 0.282 387 P C -0.883 176.017 177.300 -0.666 0.000 1.259 387 P CA -0.891 61.935 63.100 -0.455 0.000 0.826 387 P CB 0.952 32.320 31.700 -0.553 0.000 1.064 388 K N 1.235 121.344 120.400 -0.485 0.000 2.298 388 K HA 0.328 4.648 4.320 0.000 0.000 0.280 388 K C -0.412 175.896 176.600 -0.487 0.000 1.032 388 K CA -0.033 56.037 56.287 -0.362 0.000 0.958 388 K CB 0.117 32.501 32.500 -0.194 0.000 0.978 388 K HN 0.329 nan 8.250 nan 0.000 0.472 389 F N 2.394 122.314 119.950 -0.051 0.000 2.415 389 F HA 0.219 4.746 4.527 0.000 0.000 0.348 389 F C 0.654 176.475 175.800 0.036 0.000 1.119 389 F CA -0.799 57.182 58.000 -0.033 0.000 1.069 389 F CB 1.077 40.044 39.000 -0.055 0.000 1.124 389 F HN 0.076 nan 8.300 nan 0.000 0.472 390 K N 5.930 126.436 120.400 0.177 0.000 2.263 390 K HA 0.421 4.741 4.320 0.000 0.000 0.282 390 K C -0.779 175.964 176.600 0.238 0.000 1.089 390 K CA -0.070 56.324 56.287 0.178 0.000 0.907 390 K CB 0.972 33.539 32.500 0.113 0.000 1.148 390 K HN 0.627 nan 8.250 nan 0.000 0.470 391 L N 5.364 126.774 121.223 0.311 0.000 2.341 391 L HA 0.335 4.675 4.340 0.000 0.000 0.278 391 L C -2.055 175.034 176.870 0.365 0.000 1.005 391 L CA -2.103 52.899 54.840 0.270 0.000 0.818 391 L CB 2.341 44.486 42.059 0.145 0.000 1.259 391 L HN 0.258 nan 8.230 nan 0.000 0.418 392 P HA 0.259 nan 4.420 nan 0.000 0.238 392 P C -0.701 176.744 177.300 0.242 0.000 1.794 392 P CA 0.179 63.486 63.100 0.344 0.000 1.088 392 P CB 0.372 32.203 31.700 0.219 0.000 1.923 393 I N -0.269 120.396 120.570 0.159 0.000 2.744 393 I HA 0.130 4.300 4.170 0.000 0.000 0.285 393 I C -1.032 174.830 176.117 -0.425 0.000 1.530 393 I CA -0.718 60.519 61.300 -0.105 0.000 1.064 393 I CB 2.245 40.232 38.000 -0.022 0.000 1.429 393 I HN -0.040 nan 8.210 nan 0.000 0.425 394 Q N 6.187 125.631 119.800 -0.593 0.000 2.286 394 Q HA 0.041 4.381 4.340 0.000 0.000 0.290 394 Q C 0.500 176.425 176.000 -0.125 0.000 1.049 394 Q CA 0.109 55.546 55.803 -0.610 0.000 0.923 394 Q CB 1.079 29.614 28.738 -0.337 0.000 1.183 394 Q HN 0.575 nan 8.270 nan 0.000 0.383 395 K N 3.455 123.789 120.400 -0.109 0.000 2.032 395 K HA -0.210 4.110 4.320 0.000 0.000 0.209 395 K C 1.422 178.141 176.600 0.198 0.000 1.048 395 K CA 1.811 58.141 56.287 0.072 0.000 0.927 395 K CB 0.044 32.442 32.500 -0.170 0.000 0.712 395 K HN 0.684 nan 8.250 nan 0.000 0.441 396 E N -0.048 120.203 120.200 0.086 0.000 2.204 396 E HA -0.104 4.246 4.350 0.000 0.000 0.195 396 E C 1.826 178.506 176.600 0.134 0.000 0.990 396 E CA 1.212 57.673 56.400 0.102 0.000 0.821 396 E CB -0.063 29.663 29.700 0.044 0.000 0.750 396 E HN 0.290 nan 8.360 nan 0.000 0.477 397 T N 0.706 115.331 114.554 0.119 0.000 2.777 397 T HA -0.181 4.170 4.350 0.000 0.000 0.266 397 T C 1.245 176.076 174.700 0.218 0.000 1.040 397 T CA 0.801 62.964 62.100 0.106 0.000 1.141 397 T CB -0.302 68.578 68.868 0.020 0.000 0.868 397 T HN 0.425 nan 8.240 nan 0.000 0.444 398 W N 2.392 123.776 121.300 0.139 0.000 2.335 398 W HA -0.156 4.504 4.660 0.000 0.000 0.311 398 W C 1.865 178.585 176.519 0.335 0.000 1.213 398 W CA 1.280 58.763 57.345 0.230 0.000 1.274 398 W CB -0.191 29.474 29.460 0.341 0.000 1.148 398 W HN 0.222 nan 8.180 nan 0.000 0.498 399 E N -0.259 120.230 120.200 0.482 0.000 2.219 399 E HA -0.211 4.139 4.350 0.000 0.000 0.198 399 E C 2.082 178.722 176.600 0.066 0.000 0.998 399 E CA 2.431 58.996 56.400 0.275 0.000 0.818 399 E CB -0.631 29.179 29.700 0.183 0.000 0.741 399 E HN 0.483 nan 8.360 nan 0.000 0.477 400 T N -2.058 112.555 114.554 0.098 0.000 2.851 400 T HA -0.115 4.235 4.350 0.000 0.000 0.262 400 T C 1.777 176.514 174.700 0.062 0.000 1.043 400 T CA 0.678 62.808 62.100 0.051 0.000 1.140 400 T CB -0.589 68.323 68.868 0.073 0.000 0.872 400 T HN 0.375 nan 8.240 nan 0.000 0.446 401 W N 0.471 121.691 121.300 -0.133 0.000 2.407 401 W HA -0.063 4.597 4.660 0.000 0.000 0.305 401 W C 2.079 178.518 176.519 -0.134 0.000 1.196 401 W CA 0.875 58.098 57.345 -0.203 0.000 1.311 401 W CB -0.489 28.752 29.460 -0.364 0.000 1.135 401 W HN 0.405 nan 8.180 nan 0.000 0.514 402 W N 3.096 124.175 121.300 -0.368 0.000 2.335 402 W HA -0.236 4.424 4.660 0.000 0.000 0.311 402 W C 2.576 178.968 176.519 -0.212 0.000 1.213 402 W CA 3.602 60.732 57.345 -0.358 0.000 1.274 402 W CB -1.170 28.129 29.460 -0.269 0.000 1.148 402 W HN -0.055 nan 8.180 nan 0.000 0.498 403 T N -0.978 113.441 114.554 -0.224 0.000 2.929 403 T HA -0.176 4.174 4.350 0.000 0.000 0.271 403 T C 1.027 175.644 174.700 -0.138 0.000 1.085 403 T CA 1.691 63.604 62.100 -0.311 0.000 1.125 403 T CB -0.444 68.233 68.868 -0.318 0.000 0.874 403 T HN 0.409 nan 8.240 nan 0.000 0.494 404 E N -0.267 119.852 120.200 -0.135 0.000 2.685 404 E HA 0.244 4.595 4.350 0.000 0.000 0.208 404 E C -1.237 175.289 176.600 -0.123 0.000 0.996 404 E CA -0.519 55.814 56.400 -0.111 0.000 1.054 404 E CB 0.406 30.047 29.700 -0.098 0.000 1.075 404 E HN 0.464 nan 8.360 nan 0.000 0.460 405 Y N 1.295 121.392 120.300 -0.338 0.000 2.350 405 Y HA 0.087 4.637 4.550 0.000 0.000 0.338 405 Y C 0.680 176.484 175.900 -0.161 0.000 0.961 405 Y CA -2.241 55.620 58.100 -0.400 0.000 1.100 405 Y CB 0.590 38.591 38.460 -0.766 0.000 1.179 405 Y HN 0.146 nan 8.280 nan 0.000 0.454 406 W N 3.259 124.215 121.300 -0.574 0.000 2.350 406 W HA -0.102 4.558 4.660 0.000 0.000 0.289 406 W C -0.402 175.825 176.519 -0.486 0.000 1.215 406 W CA 0.573 57.645 57.345 -0.455 0.000 1.236 406 W CB -0.567 28.654 29.460 -0.399 0.000 1.130 406 W HN 0.525 nan 8.180 nan 0.000 0.541 407 Q N 0.860 119.749 119.800 -1.519 0.000 2.312 407 Q HA 0.506 4.846 4.340 0.000 0.000 0.236 407 Q C -0.263 175.447 176.000 -0.484 0.000 0.965 407 Q CA -0.248 54.863 55.803 -1.153 0.000 0.894 407 Q CB 1.590 29.467 28.738 -1.435 0.000 1.225 407 Q HN 0.056 nan 8.270 nan 0.000 0.478 408 A N 1.281 123.918 122.820 -0.305 0.000 2.312 408 A HA 0.726 5.046 4.320 0.000 0.000 0.326 408 A C -0.426 177.075 177.584 -0.138 0.000 1.172 408 A CA -0.352 51.593 52.037 -0.153 0.000 0.821 408 A CB 1.049 19.983 19.000 -0.110 0.000 1.166 408 A HN 0.747 nan 8.150 nan 0.000 0.493 409 T N -1.702 112.774 114.554 -0.131 0.000 2.838 409 T HA 0.739 5.089 4.350 0.000 0.000 0.292 409 T C -0.944 173.774 174.700 0.030 0.000 1.113 409 T CA -0.660 61.398 62.100 -0.071 0.000 1.008 409 T CB 1.495 70.320 68.868 -0.072 0.000 1.259 409 T HN 0.990 nan 8.240 nan 0.000 0.520 410 W N 1.705 122.889 121.300 -0.194 0.000 3.405 410 W HA 0.511 5.171 4.660 0.000 0.000 0.329 410 W C -2.360 174.082 176.519 -0.128 0.000 1.142 410 W CA -1.437 55.799 57.345 -0.182 0.000 1.235 410 W CB 1.572 30.947 29.460 -0.141 0.000 1.341 410 W HN 0.767 nan 8.180 nan 0.000 0.481 411 I N 4.973 125.072 120.570 -0.785 0.000 2.439 411 I HA 0.509 4.679 4.170 0.000 0.000 0.283 411 I C -1.916 173.657 176.117 -0.906 0.000 1.023 411 I CA -2.640 58.181 61.300 -0.799 0.000 1.100 411 I CB 0.620 38.064 38.000 -0.926 0.000 1.238 411 I HN 0.064 nan 8.210 nan 0.000 0.445 412 P HA -0.005 nan 4.420 nan 0.000 0.282 412 P C -0.253 176.993 177.300 -0.091 0.000 1.273 412 P CA -0.172 62.722 63.100 -0.342 0.000 0.809 412 P CB 0.414 32.087 31.700 -0.045 0.000 1.246 413 E N 0.021 120.207 120.200 -0.024 0.000 2.480 413 E HA 0.025 4.375 4.350 0.000 0.000 0.258 413 E C -0.517 176.160 176.600 0.129 0.000 0.984 413 E CA 0.717 57.109 56.400 -0.014 0.000 0.930 413 E CB -0.004 29.674 29.700 -0.037 0.000 0.936 413 E HN 0.410 nan 8.360 nan 0.000 0.466 414 W N 2.669 123.895 121.300 -0.123 0.000 3.405 414 W HA 0.475 5.135 4.660 0.000 0.000 0.329 414 W C -1.077 175.394 176.519 -0.080 0.000 1.142 414 W CA -0.761 56.533 57.345 -0.085 0.000 1.235 414 W CB 0.145 29.497 29.460 -0.179 0.000 1.341 414 W HN 0.361 nan 8.180 nan 0.000 0.481 415 E N 2.112 122.293 120.200 -0.031 0.000 2.232 415 E HA 0.451 4.801 4.350 0.000 0.000 0.264 415 E C -1.003 175.681 176.600 0.139 0.000 0.973 415 E CA -1.162 55.171 56.400 -0.112 0.000 0.849 415 E CB 2.034 31.698 29.700 -0.060 0.000 1.198 415 E HN 0.228 nan 8.360 nan 0.000 0.407 416 F N 2.010 121.913 119.950 -0.078 0.000 2.456 416 F HA 0.282 4.809 4.527 0.000 0.000 0.358 416 F C -0.731 175.098 175.800 0.048 0.000 1.095 416 F CA -0.801 57.221 58.000 0.036 0.000 1.216 416 F CB 0.536 39.537 39.000 0.002 0.000 1.125 416 F HN 0.035 nan 8.300 nan 0.000 0.549 417 V N 6.790 126.794 119.914 0.151 0.000 2.398 417 V HA 0.122 4.242 4.120 0.000 0.000 0.282 417 V C -0.350 175.602 176.094 -0.236 0.000 1.014 417 V CA -1.140 61.070 62.300 -0.150 0.000 0.838 417 V CB 1.270 33.120 31.823 0.045 0.000 1.018 417 V HN 0.725 nan 8.190 nan 0.000 0.432 418 N N 4.310 122.679 118.700 -0.553 0.000 2.416 418 N HA 0.124 4.864 4.740 0.000 0.000 0.271 418 N C 0.286 175.749 175.510 -0.077 0.000 1.245 418 N CA 0.485 53.352 53.050 -0.306 0.000 0.940 418 N CB 0.859 39.142 38.487 -0.340 0.000 1.175 418 N HN 0.846 nan 8.380 nan 0.000 0.483 419 T N 1.392 115.962 114.554 0.026 0.000 2.819 419 T HA 0.528 4.878 4.350 0.000 0.000 0.271 419 T C -1.491 173.228 174.700 0.031 0.000 0.986 419 T CA -1.205 60.911 62.100 0.028 0.000 0.989 419 T CB 0.665 69.562 68.868 0.049 0.000 1.396 419 T HN 0.143 nan 8.240 nan 0.000 0.597 420 P HA 0.115 nan 4.420 nan 0.000 0.210 420 P C -1.931 175.378 177.300 0.016 0.000 1.185 420 P CA 1.228 64.335 63.100 0.012 0.000 0.924 420 P CB -1.764 29.934 31.700 -0.003 0.000 0.786 421 P HA 0.313 nan 4.420 nan 0.000 0.294 421 P C -0.655 176.649 177.300 0.007 0.000 1.294 421 P CA -0.192 62.900 63.100 -0.013 0.000 0.827 421 P CB 0.753 32.412 31.700 -0.067 0.000 0.992 422 L N 2.348 123.572 121.223 0.001 0.000 2.289 422 L HA 0.347 4.687 4.340 0.000 0.000 0.285 422 L C 0.024 176.851 176.870 -0.071 0.000 1.049 422 L CA -1.168 53.678 54.840 0.011 0.000 0.804 422 L CB 1.374 43.444 42.059 0.018 0.000 1.195 422 L HN 0.088 nan 8.230 nan 0.000 0.428 423 V N 4.484 124.375 119.914 -0.038 0.000 2.403 423 V HA 0.119 4.239 4.120 0.000 0.000 0.265 423 V C 0.166 176.163 176.094 -0.162 0.000 1.034 423 V CA -0.073 62.184 62.300 -0.071 0.000 1.036 423 V CB -0.383 31.444 31.823 0.006 0.000 1.032 423 V HN 0.780 nan 8.190 nan 0.000 0.478 424 K N 4.906 125.147 120.400 -0.265 0.000 2.553 424 K HA 0.528 4.848 4.320 0.000 0.000 0.250 424 K C -1.208 175.161 176.600 -0.385 0.000 0.953 424 K CA -0.998 55.096 56.287 -0.321 0.000 0.800 424 K CB 1.593 33.864 32.500 -0.382 0.000 1.243 424 K HN 0.325 nan 8.250 nan 0.000 0.435 425 L N 3.574 124.638 121.223 -0.263 0.000 2.700 425 L HA -0.029 4.311 4.340 0.000 0.000 0.272 425 L C 0.926 177.714 176.870 -0.137 0.000 1.176 425 L CA -0.157 54.563 54.840 -0.201 0.000 0.961 425 L CB -0.243 41.734 42.059 -0.137 0.000 1.249 425 L HN 0.715 nan 8.230 nan 0.000 0.487 426 W N 3.126 124.412 121.300 -0.024 0.000 2.282 426 W HA -0.210 4.450 4.660 0.000 0.000 0.325 426 W C 1.201 177.780 176.519 0.099 0.000 1.211 426 W CA 0.931 58.319 57.345 0.071 0.000 1.209 426 W CB -0.100 29.462 29.460 0.169 0.000 1.185 426 W HN 0.514 nan 8.180 nan 0.000 0.454 427 Y N -0.702 119.812 120.300 0.357 0.000 2.565 427 Y HA 0.663 5.213 4.550 0.000 0.000 0.325 427 Y C -0.524 175.470 175.900 0.156 0.000 1.221 427 Y CA -1.821 56.407 58.100 0.213 0.000 1.316 427 Y CB 0.277 38.827 38.460 0.150 0.000 1.404 427 Y HN 0.126 nan 8.280 nan 0.000 0.527 428 Q N 0.885 120.715 119.800 0.050 0.000 2.443 428 Q HA 0.409 4.750 4.340 0.000 0.000 0.258 428 Q C -1.923 174.157 176.000 0.134 0.000 0.967 428 Q CA -0.506 55.277 55.803 -0.034 0.000 0.951 428 Q CB 1.965 30.692 28.738 -0.018 0.000 1.459 428 Q HN 0.861 nan 8.270 nan 0.000 0.415 429 L N 1.596 122.906 121.223 0.144 0.000 2.453 429 L HA 0.349 4.689 4.340 0.000 0.000 0.261 429 L C 0.952 177.915 176.870 0.156 0.000 1.179 429 L CA -0.507 54.441 54.840 0.179 0.000 0.813 429 L CB 0.306 42.472 42.059 0.178 0.000 1.110 429 L HN 0.564 nan 8.230 nan 0.000 0.466 430 E N 0.839 121.155 120.200 0.193 0.000 2.605 430 E HA 0.097 4.447 4.350 0.000 0.000 0.255 430 E C 0.336 177.044 176.600 0.180 0.000 1.369 430 E CA -0.222 56.261 56.400 0.139 0.000 1.017 430 E CB 0.873 30.610 29.700 0.062 0.000 1.086 430 E HN 0.460 nan 8.360 nan 0.000 0.605 431 K N 0.251 120.692 120.400 0.068 0.000 2.306 431 K HA 0.147 4.467 4.320 0.000 0.000 0.200 431 K C 0.304 176.914 176.600 0.018 0.000 1.083 431 K CA 0.493 56.833 56.287 0.088 0.000 0.959 431 K CB 0.504 33.025 32.500 0.034 0.000 0.994 431 K HN 0.353 nan 8.250 nan 0.000 0.492 432 E N 1.084 121.143 120.200 -0.234 0.000 2.281 432 E HA 0.358 4.708 4.350 0.000 0.000 0.262 432 E C -2.614 173.411 176.600 -0.958 0.000 0.933 432 E CA -2.445 53.705 56.400 -0.417 0.000 0.809 432 E CB 1.318 30.902 29.700 -0.195 0.000 1.242 432 E HN -0.151 nan 8.360 nan 0.000 0.418 433 P HA 0.108 nan 4.420 nan 0.000 0.267 433 P C -0.212 176.884 177.300 -0.340 0.000 1.205 433 P CA 0.263 62.941 63.100 -0.705 0.000 0.765 433 P CB 0.270 31.871 31.700 -0.165 0.000 0.828 434 I N 2.925 123.359 120.570 -0.227 0.000 2.517 434 I HA -0.014 4.156 4.170 0.000 0.000 0.285 434 I C 0.424 176.508 176.117 -0.054 0.000 1.106 434 I CA -0.315 60.921 61.300 -0.106 0.000 1.402 434 I CB 0.404 38.377 38.000 -0.045 0.000 1.399 434 I HN 0.046 nan 8.210 nan 0.000 0.535 435 V N 7.628 127.514 119.914 -0.047 0.000 2.450 435 V HA 0.207 4.327 4.120 0.000 0.000 0.281 435 V C 1.190 177.279 176.094 -0.008 0.000 1.019 435 V CA 1.426 63.712 62.300 -0.024 0.000 1.062 435 V CB -0.052 31.757 31.823 -0.023 0.000 0.979 435 V HN 1.203 nan 8.190 nan 0.000 0.477 436 G N 4.452 113.253 108.800 0.003 0.000 2.729 436 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 436 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 436 G C 0.705 175.617 174.900 0.020 0.000 1.252 436 G CA 0.017 45.123 45.100 0.010 0.000 0.751 436 G HN 1.664 nan 8.290 nan 0.000 0.527 437 A N 1.145 123.978 122.820 0.022 0.000 2.632 437 A HA 0.357 4.677 4.320 0.000 0.000 0.229 437 A C 0.591 178.212 177.584 0.061 0.000 1.047 437 A CA 1.490 53.551 52.037 0.040 0.000 0.754 437 A CB -0.063 18.959 19.000 0.037 0.000 0.969 437 A HN 1.091 nan 8.150 nan 0.000 0.509 438 E N 0.962 121.219 120.200 0.095 0.000 2.366 438 E HA 0.192 4.542 4.350 0.000 0.000 0.266 438 E C -0.453 176.253 176.600 0.176 0.000 1.015 438 E CA 0.046 56.509 56.400 0.104 0.000 0.906 438 E CB 0.326 30.103 29.700 0.128 0.000 0.979 438 E HN 0.605 nan 8.360 nan 0.000 0.443 439 T N 5.196 119.793 114.554 0.072 0.000 2.743 439 T HA 0.279 4.629 4.350 0.000 0.000 0.293 439 T C -0.659 174.041 174.700 -0.001 0.000 0.945 439 T CA -0.283 61.843 62.100 0.043 0.000 1.030 439 T CB 0.049 68.899 68.868 -0.029 0.000 0.912 439 T HN 0.223 nan 8.240 nan 0.000 0.483 440 F N 2.323 122.114 119.950 -0.264 0.000 2.427 440 F HA 0.400 4.927 4.527 0.000 0.000 0.346 440 F C -0.199 175.417 175.800 -0.307 0.000 1.120 440 F CA -1.384 56.467 58.000 -0.248 0.000 1.033 440 F CB 0.973 39.758 39.000 -0.358 0.000 1.126 440 F HN 0.533 nan 8.300 nan 0.000 0.462 441 Y N 3.496 123.879 120.300 0.139 0.000 2.595 441 Y HA 0.422 4.972 4.550 0.000 0.000 0.336 441 Y C 0.238 176.230 175.900 0.153 0.000 0.996 441 Y CA -1.028 57.133 58.100 0.103 0.000 1.260 441 Y CB 0.504 38.992 38.460 0.047 0.000 1.108 441 Y HN 0.373 nan 8.280 nan 0.000 0.509 442 V N -0.413 119.630 119.914 0.216 0.000 3.133 442 V HA 0.562 4.682 4.120 0.000 0.000 0.305 442 V C -0.121 176.075 176.094 0.170 0.000 1.084 442 V CA -0.478 61.956 62.300 0.222 0.000 1.089 442 V CB 1.817 33.735 31.823 0.158 0.000 1.073 442 V HN 0.652 nan 8.190 nan 0.000 0.477 443 D N -0.195 120.295 120.400 0.150 0.000 2.734 443 D HA 0.527 5.167 4.640 0.000 0.000 0.224 443 D C -0.808 175.550 176.300 0.097 0.000 1.222 443 D CA 0.288 54.352 54.000 0.106 0.000 0.761 443 D CB 1.982 42.832 40.800 0.082 0.000 1.569 443 D HN 1.208 nan 8.370 nan 0.000 0.477 444 G N 0.371 109.225 108.800 0.091 0.000 2.753 444 G HA2 0.776 4.737 3.960 0.000 0.000 0.297 444 G HA3 0.776 4.737 3.960 0.000 0.000 0.297 444 G C -1.370 173.581 174.900 0.084 0.000 1.430 444 G CA 0.110 45.261 45.100 0.085 0.000 1.040 444 G HN 0.552 nan 8.290 nan 0.000 0.530 445 A N 0.308 123.172 122.820 0.073 0.000 2.486 445 A HA 1.129 5.449 4.320 0.000 0.000 0.277 445 A C -0.372 177.245 177.584 0.055 0.000 1.282 445 A CA -0.361 51.719 52.037 0.071 0.000 0.784 445 A CB 1.653 20.699 19.000 0.075 0.000 1.350 445 A HN 2.588 nan 8.150 nan 0.000 0.454 446 A N 0.357 123.204 122.820 0.045 0.000 2.562 446 A HA 0.485 4.805 4.320 0.000 0.000 0.305 446 A C -1.090 176.509 177.584 0.025 0.000 1.059 446 A CA -0.498 51.559 52.037 0.033 0.000 0.835 446 A CB 0.388 19.408 19.000 0.033 0.000 1.299 446 A HN 0.937 nan 8.150 nan 0.000 0.392 447 N N 2.656 121.368 118.700 0.020 0.000 2.406 447 N HA 0.006 4.746 4.740 0.000 0.000 0.274 447 N C 1.212 176.728 175.510 0.010 0.000 1.249 447 N CA -0.075 52.983 53.050 0.013 0.000 0.951 447 N CB 0.349 38.843 38.487 0.011 0.000 1.241 447 N HN 0.724 nan 8.380 nan 0.000 0.485 448 R N 2.428 122.933 120.500 0.008 0.000 2.133 448 R HA -0.216 4.124 4.340 0.000 0.000 0.247 448 R C 1.212 177.514 176.300 0.004 0.000 1.151 448 R CA 1.473 57.576 56.100 0.004 0.000 0.971 448 R CB -0.057 30.243 30.300 0.000 0.000 0.866 448 R HN 0.519 nan 8.270 nan 0.000 0.447 449 E N 0.169 120.370 120.200 0.003 0.000 2.204 449 E HA -0.104 4.246 4.350 0.000 0.000 0.194 449 E C 1.576 178.178 176.600 0.004 0.000 0.989 449 E CA 1.649 58.050 56.400 0.002 0.000 0.824 449 E CB 0.157 29.857 29.700 0.001 0.000 0.756 449 E HN 0.482 nan 8.360 nan 0.000 0.477 450 T N -4.504 110.054 114.554 0.006 0.000 3.054 450 T HA 0.274 4.624 4.350 0.000 0.000 0.255 450 T C 1.139 175.844 174.700 0.009 0.000 1.035 450 T CA 0.647 62.751 62.100 0.007 0.000 0.941 450 T CB 0.100 68.972 68.868 0.007 0.000 1.026 450 T HN 0.159 nan 8.240 nan 0.000 0.533 451 K N 0.581 120.986 120.400 0.009 0.000 3.193 451 K HA -0.147 4.173 4.320 0.000 0.000 0.294 451 K C 0.224 176.832 176.600 0.015 0.000 1.185 451 K CA 1.583 57.877 56.287 0.012 0.000 0.866 451 K CB -2.839 29.667 32.500 0.010 0.000 1.227 451 K HN 0.730 nan 8.250 nan 0.000 0.467 452 L N 0.678 121.909 121.223 0.015 0.000 2.260 452 L HA 0.597 4.937 4.340 0.000 0.000 0.289 452 L C 1.265 178.148 176.870 0.021 0.000 1.057 452 L CA -0.349 54.501 54.840 0.017 0.000 0.811 452 L CB 1.653 43.720 42.059 0.014 0.000 1.184 452 L HN 0.466 nan 8.230 nan 0.000 0.429 453 G N 3.170 111.985 108.800 0.025 0.000 2.552 453 G HA2 0.724 4.684 3.960 0.000 0.000 0.324 453 G HA3 0.724 4.684 3.960 0.000 0.000 0.324 453 G C -1.058 173.861 174.900 0.032 0.000 1.217 453 G CA -0.544 44.576 45.100 0.032 0.000 0.989 453 G HN 0.487 nan 8.290 nan 0.000 0.490 454 K N -0.626 119.798 120.400 0.039 0.000 2.550 454 K HA 0.595 4.916 4.320 0.000 0.000 0.252 454 K C -0.929 175.699 176.600 0.046 0.000 0.943 454 K CA -0.570 55.738 56.287 0.035 0.000 0.806 454 K CB 2.456 34.972 32.500 0.028 0.000 1.289 454 K HN 0.721 nan 8.250 nan 0.000 0.435 455 A N 1.354 124.200 122.820 0.043 0.000 2.386 455 A HA 1.007 5.327 4.320 0.000 0.000 0.308 455 A C -0.440 177.162 177.584 0.030 0.000 1.128 455 A CA -0.353 51.719 52.037 0.058 0.000 0.789 455 A CB 1.963 21.012 19.000 0.081 0.000 1.325 455 A HN 0.815 nan 8.150 nan 0.000 0.437 456 G N -1.284 107.547 108.800 0.051 0.000 2.320 456 G HA2 0.625 4.585 3.960 0.000 0.000 0.296 456 G HA3 0.625 4.585 3.960 0.000 0.000 0.296 456 G C -1.438 173.538 174.900 0.127 0.000 1.306 456 G CA 0.209 45.295 45.100 -0.024 0.000 0.836 456 G HN 2.131 nan 8.290 nan 0.000 0.517 457 Y N -2.973 117.387 120.300 0.100 0.000 2.725 457 Y HA 0.836 5.386 4.550 0.000 0.000 0.333 457 Y C -1.211 174.747 175.900 0.097 0.000 1.242 457 Y CA -1.892 56.290 58.100 0.136 0.000 1.059 457 Y CB 1.301 39.900 38.460 0.232 0.000 1.306 457 Y HN 0.849 nan 8.280 nan 0.000 0.454 458 V N 1.866 122.064 119.914 0.474 0.000 2.610 458 V HA 0.472 4.593 4.120 0.000 0.000 0.298 458 V C -0.249 175.933 176.094 0.146 0.000 1.067 458 V CA -0.273 62.187 62.300 0.267 0.000 0.894 458 V CB 1.543 33.458 31.823 0.154 0.000 1.015 458 V HN 1.126 nan 8.190 nan 0.000 0.432 459 T N 0.445 114.936 114.554 -0.105 0.000 2.788 459 T HA 0.195 4.545 4.350 0.000 0.000 0.280 459 T C 0.997 175.646 174.700 -0.084 0.000 0.984 459 T CA -0.356 61.535 62.100 -0.349 0.000 0.972 459 T CB 0.482 68.905 68.868 -0.742 0.000 1.039 459 T HN 0.712 nan 8.240 nan 0.000 0.530 460 N N -0.012 118.646 118.700 -0.071 0.000 2.471 460 N HA -0.018 4.722 4.740 0.000 0.000 0.205 460 N C 0.210 175.701 175.510 -0.030 0.000 1.251 460 N CA -0.211 52.844 53.050 0.008 0.000 0.843 460 N CB -0.217 38.293 38.487 0.038 0.000 1.044 460 N HN 0.739 nan 8.380 nan 0.000 0.461 461 K N -1.204 119.157 120.400 -0.064 0.000 2.609 461 K HA 0.235 4.555 4.320 0.000 0.000 0.195 461 K C 0.382 176.956 176.600 -0.043 0.000 1.144 461 K CA 0.088 56.345 56.287 -0.051 0.000 1.084 461 K CB 0.794 33.258 32.500 -0.061 0.000 0.877 461 K HN 0.107 nan 8.250 nan 0.000 0.540 462 G N 2.776 111.553 108.800 -0.038 0.000 2.148 462 G HA2 -0.334 3.627 3.960 0.000 0.000 0.254 462 G HA3 -0.334 3.627 3.960 0.000 0.000 0.254 462 G C -0.013 174.878 174.900 -0.015 0.000 0.981 462 G CA 0.184 45.270 45.100 -0.023 0.000 0.670 462 G HN 0.339 nan 8.290 nan 0.000 0.528 463 R N 0.794 121.279 120.500 -0.024 0.000 2.272 463 R HA 0.380 4.720 4.340 0.000 0.000 0.334 463 R C 0.041 176.391 176.300 0.083 0.000 1.117 463 R CA -0.010 56.100 56.100 0.017 0.000 0.966 463 R CB 0.077 30.375 30.300 -0.004 0.000 1.049 463 R HN 0.516 nan 8.270 nan 0.000 0.477 464 Q N 3.086 122.898 119.800 0.019 0.000 2.266 464 Q HA 0.388 4.729 4.340 0.000 0.000 0.261 464 Q C -1.054 174.833 176.000 -0.188 0.000 0.985 464 Q CA -0.645 55.133 55.803 -0.041 0.000 0.873 464 Q CB 2.605 31.323 28.738 -0.034 0.000 1.306 464 Q HN 0.388 nan 8.270 nan 0.000 0.447 465 K N 1.052 121.214 120.400 -0.397 0.000 2.525 465 K HA 0.653 4.973 4.320 0.000 0.000 0.254 465 K C -1.935 174.467 176.600 -0.329 0.000 0.934 465 K CA -0.558 55.440 56.287 -0.481 0.000 0.802 465 K CB 1.990 33.897 32.500 -0.989 0.000 1.295 465 K HN 0.412 nan 8.250 nan 0.000 0.433 466 V N 3.072 122.874 119.914 -0.187 0.000 2.891 466 V HA 0.460 4.580 4.120 0.000 0.000 0.304 466 V C -1.347 174.710 176.094 -0.061 0.000 1.171 466 V CA -0.862 61.377 62.300 -0.101 0.000 0.943 466 V CB 2.154 33.940 31.823 -0.060 0.000 1.037 466 V HN 0.545 nan 8.190 nan 0.000 0.427 467 V N 3.425 123.320 119.914 -0.031 0.000 2.623 467 V HA 0.565 4.685 4.120 0.000 0.000 0.304 467 V C -2.531 173.568 176.094 0.008 0.000 1.054 467 V CA -1.921 60.373 62.300 -0.008 0.000 0.882 467 V CB 2.047 33.872 31.823 0.003 0.000 1.002 467 V HN 0.737 nan 8.190 nan 0.000 0.424 468 P HA 0.336 nan 4.420 nan 0.000 0.267 468 P C -1.092 176.221 177.300 0.021 0.000 1.200 468 P CA 0.106 63.214 63.100 0.014 0.000 0.772 468 P CB 1.041 32.747 31.700 0.010 0.000 0.855 469 L N 1.378 122.615 121.223 0.024 0.000 2.422 469 L HA 0.541 4.881 4.340 0.000 0.000 0.264 469 L C 0.295 177.180 176.870 0.024 0.000 0.984 469 L CA -0.562 54.295 54.840 0.028 0.000 0.819 469 L CB 2.393 44.474 42.059 0.037 0.000 1.330 469 L HN 0.268 nan 8.230 nan 0.000 0.410 470 T N -0.489 114.078 114.554 0.022 0.000 2.940 470 T HA 0.332 4.682 4.350 0.000 0.000 0.288 470 T C 0.045 174.757 174.700 0.018 0.000 1.045 470 T CA -0.721 61.389 62.100 0.018 0.000 1.018 470 T CB 1.171 70.048 68.868 0.015 0.000 1.151 470 T HN 0.673 nan 8.240 nan 0.000 0.529 471 N N 1.660 120.370 118.700 0.016 0.000 2.698 471 N HA -0.153 4.587 4.740 0.000 0.000 0.258 471 N C -0.499 175.022 175.510 0.018 0.000 0.978 471 N CA 0.948 54.007 53.050 0.015 0.000 0.777 471 N CB -1.308 37.187 38.487 0.013 0.000 0.907 471 N HN 0.835 nan 8.380 nan 0.000 0.543 472 T N -2.693 111.873 114.554 0.021 0.000 2.881 472 T HA 0.471 4.821 4.350 0.000 0.000 0.290 472 T C 0.248 174.962 174.700 0.024 0.000 1.000 472 T CA -0.768 61.347 62.100 0.026 0.000 0.978 472 T CB 2.293 71.181 68.868 0.034 0.000 0.997 472 T HN 0.002 nan 8.240 nan 0.000 0.443 473 T N 2.572 117.138 114.554 0.020 0.000 2.899 473 T HA 0.259 4.609 4.350 0.000 0.000 0.284 473 T C 1.743 176.455 174.700 0.020 0.000 1.004 473 T CA -0.838 61.268 62.100 0.011 0.000 1.043 473 T CB 0.667 69.530 68.868 -0.009 0.000 1.013 473 T HN 0.623 nan 8.240 nan 0.000 0.518 474 N N 1.010 119.719 118.700 0.016 0.000 2.089 474 N HA -0.245 4.495 4.740 0.000 0.000 0.198 474 N C 1.911 177.452 175.510 0.052 0.000 1.017 474 N CA 1.823 54.894 53.050 0.035 0.000 0.880 474 N CB -0.079 38.426 38.487 0.030 0.000 1.042 474 N HN 0.611 nan 8.380 nan 0.000 0.446 475 Q N 0.848 120.654 119.800 0.011 0.000 2.050 475 Q HA -0.092 4.249 4.340 0.000 0.000 0.202 475 Q C 2.041 178.153 176.000 0.186 0.000 0.980 475 Q CA 1.259 57.091 55.803 0.049 0.000 0.840 475 Q CB -0.033 28.519 28.738 -0.310 0.000 0.898 475 Q HN 0.366 nan 8.270 nan 0.000 0.424 476 K N 0.081 120.555 120.400 0.124 0.000 2.020 476 K HA -0.186 4.134 4.320 0.000 0.000 0.212 476 K C 2.413 179.080 176.600 0.113 0.000 1.050 476 K CA 1.931 58.297 56.287 0.132 0.000 0.929 476 K CB -0.497 32.051 32.500 0.080 0.000 0.714 476 K HN 0.383 nan 8.250 nan 0.000 0.443 477 T N -0.804 113.806 114.554 0.093 0.000 2.788 477 T HA -0.167 4.183 4.350 0.000 0.000 0.268 477 T C 1.760 176.524 174.700 0.108 0.000 1.044 477 T CA 1.339 63.493 62.100 0.089 0.000 1.139 477 T CB -0.242 68.671 68.868 0.075 0.000 0.867 477 T HN 0.253 nan 8.240 nan 0.000 0.454 478 E N 0.299 120.575 120.200 0.126 0.000 2.097 478 E HA -0.100 4.250 4.350 0.000 0.000 0.196 478 E C 2.056 178.728 176.600 0.120 0.000 1.000 478 E CA 1.045 57.527 56.400 0.137 0.000 0.804 478 E CB -0.155 29.652 29.700 0.179 0.000 0.740 478 E HN 0.286 nan 8.360 nan 0.000 0.454 479 L N 0.585 121.877 121.223 0.115 0.000 2.023 479 L HA -0.176 4.164 4.340 0.000 0.000 0.205 479 L C 2.467 179.398 176.870 0.101 0.000 1.073 479 L CA 1.631 56.509 54.840 0.065 0.000 0.745 479 L CB -1.189 40.885 42.059 0.026 0.000 0.900 479 L HN 0.119 nan 8.230 nan 0.000 0.435 480 Q N -0.260 119.605 119.800 0.110 0.000 2.217 480 Q HA -0.208 4.132 4.340 0.000 0.000 0.209 480 Q C 2.092 178.210 176.000 0.197 0.000 0.988 480 Q CA 2.119 58.017 55.803 0.160 0.000 0.878 480 Q CB -0.192 28.617 28.738 0.119 0.000 0.909 480 Q HN 0.466 nan 8.270 nan 0.000 0.424 481 A N 0.377 123.288 122.820 0.152 0.000 1.835 481 A HA -0.174 4.146 4.320 0.000 0.000 0.215 481 A C 2.104 179.782 177.584 0.156 0.000 1.199 481 A CA 1.670 53.802 52.037 0.158 0.000 0.615 481 A CB -0.948 18.136 19.000 0.139 0.000 0.838 481 A HN 0.489 nan 8.150 nan 0.000 0.444 482 I N -1.688 118.950 120.570 0.113 0.000 2.399 482 I HA -0.297 3.873 4.170 0.000 0.000 0.254 482 I C 2.451 178.605 176.117 0.060 0.000 1.146 482 I CA 1.688 63.022 61.300 0.057 0.000 1.412 482 I CB -0.425 37.592 38.000 0.028 0.000 1.076 482 I HN 0.532 nan 8.210 nan 0.000 0.432 483 Y N 1.689 121.983 120.300 -0.011 0.000 2.109 483 Y HA -0.211 4.339 4.550 0.000 0.000 0.285 483 Y C 2.362 178.264 175.900 0.003 0.000 1.131 483 Y CA 1.490 59.577 58.100 -0.022 0.000 1.121 483 Y CB -0.545 37.912 38.460 -0.006 0.000 0.987 483 Y HN -0.010 nan 8.280 nan 0.000 0.495 484 L N -0.419 120.809 121.223 0.008 0.000 2.043 484 L HA -0.308 4.032 4.340 0.000 0.000 0.212 484 L C 2.736 179.646 176.870 0.066 0.000 1.075 484 L CA 1.369 56.238 54.840 0.049 0.000 0.752 484 L CB -1.200 40.991 42.059 0.220 0.000 0.891 484 L HN 0.313 nan 8.230 nan 0.000 0.432 485 A N 0.096 122.920 122.820 0.008 0.000 1.917 485 A HA -0.209 4.111 4.320 0.000 0.000 0.219 485 A C 2.267 179.498 177.584 -0.588 0.000 1.182 485 A CA 1.714 53.521 52.037 -0.383 0.000 0.633 485 A CB -0.707 18.121 19.000 -0.287 0.000 0.819 485 A HN 0.396 nan 8.150 nan 0.000 0.448 486 L N -1.355 119.637 121.223 -0.385 0.000 2.109 486 L HA -0.180 4.160 4.340 0.000 0.000 0.207 486 L C 2.856 179.510 176.870 -0.361 0.000 1.086 486 L CA 1.512 56.129 54.840 -0.371 0.000 0.760 486 L CB -0.442 41.460 42.059 -0.263 0.000 0.910 486 L HN 0.584 nan 8.230 nan 0.000 0.437 487 Q N 0.165 119.732 119.800 -0.389 0.000 2.135 487 Q HA -0.194 4.147 4.340 0.000 0.000 0.204 487 Q C 0.020 175.923 176.000 -0.163 0.000 0.981 487 Q CA 1.535 57.150 55.803 -0.313 0.000 0.856 487 Q CB 0.311 28.845 28.738 -0.340 0.000 0.902 487 Q HN 0.480 nan 8.270 nan 0.000 0.425 488 D N -0.045 120.279 120.400 -0.128 0.000 2.891 488 D HA 0.220 4.860 4.640 0.000 0.000 0.312 488 D C -0.561 175.707 176.300 -0.053 0.000 1.354 488 D CA -0.035 53.965 54.000 -0.000 0.000 0.838 488 D CB 1.024 41.954 40.800 0.216 0.000 1.117 488 D HN -0.037 nan 8.370 nan 0.000 0.473 489 S N -0.536 115.004 115.700 -0.266 0.000 2.694 489 S HA 0.841 5.312 4.470 0.000 0.000 0.286 489 S C 0.545 175.083 174.600 -0.104 0.000 1.080 489 S CA -0.629 57.382 58.200 -0.315 0.000 0.953 489 S CB 1.675 64.432 63.200 -0.737 0.000 1.313 489 S HN 0.311 nan 8.310 nan 0.000 0.555 490 G N -0.301 108.449 108.800 -0.083 0.000 2.788 490 G HA2 0.529 4.489 3.960 0.000 0.000 0.293 490 G HA3 0.529 4.489 3.960 0.000 0.000 0.293 490 G C 0.451 175.323 174.900 -0.047 0.000 1.305 490 G CA -0.815 44.266 45.100 -0.033 0.000 1.005 490 G HN 0.577 nan 8.290 nan 0.000 0.496 491 L N -0.938 120.271 121.223 -0.023 0.000 2.189 491 L HA -0.031 4.309 4.340 0.000 0.000 0.214 491 L C 0.838 177.702 176.870 -0.010 0.000 1.097 491 L CA 1.329 56.159 54.840 -0.016 0.000 0.764 491 L CB -0.362 41.696 42.059 -0.002 0.000 0.900 491 L HN 0.427 nan 8.230 nan 0.000 0.436 492 E N -0.176 120.021 120.200 -0.006 0.000 2.191 492 E HA 0.522 4.872 4.350 0.000 0.000 0.263 492 E C -1.142 175.458 176.600 -0.001 0.000 0.881 492 E CA -0.256 56.146 56.400 0.003 0.000 0.757 492 E CB 3.034 32.741 29.700 0.010 0.000 1.147 492 E HN -0.100 nan 8.360 nan 0.000 0.414 493 V N 3.074 122.983 119.914 -0.009 0.000 3.114 493 V HA 0.512 4.632 4.120 0.000 0.000 0.308 493 V C -1.829 174.279 176.094 0.023 0.000 1.168 493 V CA -0.692 61.591 62.300 -0.028 0.000 1.015 493 V CB 2.531 34.244 31.823 -0.184 0.000 1.050 493 V HN 0.616 nan 8.190 nan 0.000 0.433 494 N N 4.423 123.150 118.700 0.045 0.000 2.399 494 N HA 0.662 5.402 4.740 0.000 0.000 0.284 494 N C -1.228 174.265 175.510 -0.029 0.000 1.025 494 N CA -0.149 52.946 53.050 0.075 0.000 0.885 494 N CB 1.874 40.438 38.487 0.129 0.000 1.339 494 N HN 0.632 nan 8.380 nan 0.000 0.487 495 I N 1.034 121.548 120.570 -0.094 0.000 2.474 495 I HA 0.489 4.659 4.170 0.000 0.000 0.294 495 I C -0.557 175.446 176.117 -0.190 0.000 1.005 495 I CA -1.142 60.070 61.300 -0.146 0.000 1.113 495 I CB 2.078 39.997 38.000 -0.135 0.000 1.289 495 I HN 0.035 nan 8.210 nan 0.000 0.436 496 V N 3.974 123.749 119.914 -0.232 0.000 2.376 496 V HA 0.429 4.549 4.120 0.000 0.000 0.287 496 V C -0.042 176.023 176.094 -0.049 0.000 1.015 496 V CA -0.498 61.688 62.300 -0.191 0.000 0.834 496 V CB 1.193 32.816 31.823 -0.332 0.000 1.001 496 V HN 0.784 nan 8.190 nan 0.000 0.428 497 T N 2.179 116.730 114.554 -0.004 0.000 2.944 497 T HA 0.351 4.701 4.350 0.000 0.000 0.284 497 T C 0.752 175.478 174.700 0.044 0.000 1.010 497 T CA -0.360 61.777 62.100 0.061 0.000 1.025 497 T CB 1.800 70.736 68.868 0.113 0.000 1.079 497 T HN 0.841 nan 8.240 nan 0.000 0.516 498 D N -0.798 119.645 120.400 0.072 0.000 2.417 498 D HA 0.022 4.662 4.640 0.000 0.000 0.207 498 D C 0.610 177.087 176.300 0.296 0.000 1.075 498 D CA -0.129 53.892 54.000 0.034 0.000 0.851 498 D CB 0.313 41.088 40.800 -0.041 0.000 0.976 498 D HN 0.332 nan 8.370 nan 0.000 0.505 499 S N 0.686 116.573 115.700 0.311 0.000 2.489 499 S HA 0.050 4.520 4.470 0.000 0.000 0.277 499 S C 0.945 175.720 174.600 0.292 0.000 1.230 499 S CA -0.399 57.980 58.200 0.298 0.000 1.053 499 S CB 1.910 65.243 63.200 0.221 0.000 0.955 499 S HN 0.151 nan 8.310 nan 0.000 0.488 500 Q N 3.538 123.435 119.800 0.161 0.000 2.172 500 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 500 Q C 1.302 177.286 176.000 -0.025 0.000 0.964 500 Q CA 1.340 57.056 55.803 -0.146 0.000 0.855 500 Q CB -0.175 28.459 28.738 -0.173 0.000 0.918 500 Q HN 0.975 nan 8.270 nan 0.000 0.444 501 Y N 0.230 120.496 120.300 -0.057 0.000 2.133 501 Y HA -0.150 4.400 4.550 0.000 0.000 0.287 501 Y C 2.018 177.888 175.900 -0.050 0.000 1.134 501 Y CA 1.552 59.619 58.100 -0.054 0.000 1.133 501 Y CB -0.734 37.711 38.460 -0.024 0.000 0.987 501 Y HN 0.138 nan 8.280 nan 0.000 0.502 502 A N 0.173 122.975 122.820 -0.030 0.000 1.948 502 A HA -0.229 4.091 4.320 0.000 0.000 0.220 502 A C 2.208 179.709 177.584 -0.139 0.000 1.177 502 A CA 2.056 53.998 52.037 -0.158 0.000 0.636 502 A CB -1.230 17.769 19.000 -0.003 0.000 0.815 502 A HN 0.548 nan 8.150 nan 0.000 0.449 503 L N -0.392 120.787 121.223 -0.074 0.000 2.131 503 L HA 0.116 4.457 4.340 0.000 0.000 0.206 503 L C 2.457 179.262 176.870 -0.108 0.000 1.087 503 L CA 1.809 56.603 54.840 -0.076 0.000 0.767 503 L CB -0.979 41.032 42.059 -0.079 0.000 0.917 503 L HN 0.313 nan 8.230 nan 0.000 0.441 504 G N -0.122 108.599 108.800 -0.132 0.000 2.440 504 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 504 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 504 G C 1.546 176.384 174.900 -0.104 0.000 1.154 504 G CA 1.376 46.410 45.100 -0.111 0.000 0.767 504 G HN 0.435 nan 8.290 nan 0.000 0.552 505 I N 0.177 120.620 120.570 -0.211 0.000 2.272 505 I HA -0.004 4.166 4.170 0.000 0.000 0.235 505 I C 2.678 178.755 176.117 -0.066 0.000 1.071 505 I CA 0.489 61.657 61.300 -0.219 0.000 1.374 505 I CB -0.442 37.266 38.000 -0.486 0.000 1.121 505 I HN 0.080 nan 8.210 nan 0.000 0.420 506 I N 0.680 121.209 120.570 -0.069 0.000 2.087 506 I HA -0.399 3.771 4.170 0.000 0.000 0.240 506 I C 2.602 178.810 176.117 0.152 0.000 1.054 506 I CA 1.805 63.140 61.300 0.058 0.000 1.311 506 I CB -0.530 37.482 38.000 0.020 0.000 1.024 506 I HN 0.368 nan 8.210 nan 0.000 0.402 507 Q N 0.230 120.077 119.800 0.078 0.000 2.439 507 Q HA -0.142 4.198 4.340 0.000 0.000 0.211 507 Q C 2.042 178.109 176.000 0.112 0.000 0.978 507 Q CA 1.100 56.955 55.803 0.086 0.000 0.897 507 Q CB -0.072 28.683 28.738 0.028 0.000 0.956 507 Q HN 0.593 nan 8.270 nan 0.000 0.483 508 A N 0.063 122.958 122.820 0.125 0.000 2.209 508 A HA -0.122 4.198 4.320 0.000 0.000 0.212 508 A C 0.394 178.112 177.584 0.223 0.000 1.158 508 A CA 0.482 52.630 52.037 0.185 0.000 0.742 508 A CB 0.049 19.151 19.000 0.169 0.000 0.790 508 A HN 0.479 nan 8.150 nan 0.000 0.472 509 Q N -1.981 117.932 119.800 0.189 0.000 2.475 509 Q HA -0.138 4.202 4.340 0.000 0.000 0.280 509 Q C -2.150 173.959 176.000 0.182 0.000 1.234 509 Q CA 0.862 56.716 55.803 0.085 0.000 0.873 509 Q CB -2.311 26.454 28.738 0.045 0.000 1.256 509 Q HN 0.643 nan 8.270 nan 0.000 0.475 510 P HA -0.030 nan 4.420 nan 0.000 0.271 510 P C 0.431 177.919 177.300 0.313 0.000 1.233 510 P CA 0.682 63.936 63.100 0.257 0.000 0.789 510 P CB 0.599 32.447 31.700 0.246 0.000 0.951 511 D N -0.611 119.935 120.400 0.244 0.000 2.272 511 D HA 0.065 4.705 4.640 0.000 0.000 0.308 511 D C -0.198 176.209 176.300 0.178 0.000 1.104 511 D CA 0.531 54.688 54.000 0.262 0.000 0.939 511 D CB 0.229 41.206 40.800 0.295 0.000 1.733 511 D HN 0.266 nan 8.370 nan 0.000 0.517 512 K N 0.047 120.534 120.400 0.145 0.000 2.267 512 K HA 0.698 5.018 4.320 0.000 0.000 0.246 512 K C -1.067 175.572 176.600 0.065 0.000 0.954 512 K CA -0.684 55.660 56.287 0.094 0.000 0.824 512 K CB 2.444 34.994 32.500 0.082 0.000 1.167 512 K HN 0.049 nan 8.250 nan 0.000 0.431 513 S N 0.846 116.561 115.700 0.024 0.000 2.675 513 S HA 0.075 4.545 4.470 0.000 0.000 0.297 513 S C -1.720 172.861 174.600 -0.032 0.000 1.035 513 S CA -0.767 57.410 58.200 -0.039 0.000 0.852 513 S CB 0.824 64.024 63.200 -0.001 0.000 1.051 513 S HN 0.569 nan 8.310 nan 0.000 0.451 514 E N 1.966 122.129 120.200 -0.062 0.000 2.676 514 E HA 0.326 4.676 4.350 0.000 0.000 0.318 514 E C -0.461 176.132 176.600 -0.012 0.000 1.514 514 E CA 0.153 56.534 56.400 -0.032 0.000 1.667 514 E CB 0.521 30.201 29.700 -0.033 0.000 1.336 514 E HN 0.349 nan 8.360 nan 0.000 0.492 515 S N 0.853 116.557 115.700 0.008 0.000 2.385 515 S HA 0.088 4.558 4.470 0.000 0.000 0.191 515 S C 0.753 175.352 174.600 -0.002 0.000 1.196 515 S CA -0.629 57.592 58.200 0.034 0.000 1.178 515 S CB 0.108 63.385 63.200 0.127 0.000 1.258 515 S HN 0.189 nan 8.310 nan 0.000 0.430 516 E N 2.841 123.024 120.200 -0.028 0.000 2.086 516 E HA -0.198 4.152 4.350 0.000 0.000 0.205 516 E C 1.854 178.377 176.600 -0.129 0.000 1.027 516 E CA 1.309 57.670 56.400 -0.065 0.000 0.830 516 E CB -0.233 29.431 29.700 -0.060 0.000 0.751 516 E HN 0.614 nan 8.360 nan 0.000 0.456 517 L N 1.207 122.347 121.223 -0.139 0.000 1.971 517 L HA -0.199 4.141 4.340 0.000 0.000 0.215 517 L C 2.560 179.286 176.870 -0.239 0.000 1.072 517 L CA 1.713 56.406 54.840 -0.244 0.000 0.758 517 L CB -0.915 41.059 42.059 -0.142 0.000 0.889 517 L HN 0.012 nan 8.230 nan 0.000 0.433 518 V N 0.740 120.594 119.914 -0.100 0.000 2.392 518 V HA -0.291 3.829 4.120 0.000 0.000 0.249 518 V C 2.356 178.411 176.094 -0.065 0.000 1.059 518 V CA 1.797 64.058 62.300 -0.064 0.000 1.051 518 V CB -0.970 30.881 31.823 0.047 0.000 0.658 518 V HN 0.508 nan 8.190 nan 0.000 0.455 519 N N 0.148 118.813 118.700 -0.059 0.000 2.166 519 N HA -0.187 4.553 4.740 0.000 0.000 0.186 519 N C 1.910 177.367 175.510 -0.089 0.000 1.019 519 N CA 1.339 54.357 53.050 -0.053 0.000 0.856 519 N CB -0.314 38.146 38.487 -0.044 0.000 0.993 519 N HN 0.594 nan 8.380 nan 0.000 0.426 520 Q N -0.159 119.552 119.800 -0.148 0.000 2.245 520 Q HA 0.104 4.444 4.340 0.000 0.000 0.201 520 Q C 1.769 177.811 176.000 0.070 0.000 0.955 520 Q CA 0.307 56.060 55.803 -0.084 0.000 0.870 520 Q CB 0.213 28.797 28.738 -0.257 0.000 0.945 520 Q HN 0.334 nan 8.270 nan 0.000 0.461 521 I N 0.640 121.193 120.570 -0.028 0.000 2.286 521 I HA -0.257 3.913 4.170 0.000 0.000 0.248 521 I C 2.101 178.135 176.117 -0.139 0.000 1.115 521 I CA 1.400 62.712 61.300 0.021 0.000 1.392 521 I CB -0.609 37.368 38.000 -0.039 0.000 1.065 521 I HN 0.261 nan 8.210 nan 0.000 0.418 522 I N 0.381 120.848 120.570 -0.170 0.000 2.286 522 I HA -0.212 3.958 4.170 0.000 0.000 0.245 522 I C 2.535 178.511 176.117 -0.235 0.000 1.104 522 I CA 0.956 62.092 61.300 -0.274 0.000 1.397 522 I CB -0.354 37.576 38.000 -0.117 0.000 1.072 522 I HN 0.198 nan 8.210 nan 0.000 0.417 523 E N 0.796 120.912 120.200 -0.140 0.000 2.038 523 E HA -0.244 4.106 4.350 0.000 0.000 0.195 523 E C 2.228 178.757 176.600 -0.119 0.000 1.000 523 E CA 1.234 57.557 56.400 -0.127 0.000 0.803 523 E CB -0.214 29.450 29.700 -0.060 0.000 0.750 523 E HN 0.520 nan 8.360 nan 0.000 0.448 524 Q N 0.390 120.147 119.800 -0.072 0.000 2.124 524 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 524 Q C 2.489 178.411 176.000 -0.131 0.000 0.977 524 Q CA 0.878 56.626 55.803 -0.092 0.000 0.850 524 Q CB -0.398 28.287 28.738 -0.088 0.000 0.901 524 Q HN 0.349 nan 8.270 nan 0.000 0.429 525 L N 0.117 121.220 121.223 -0.199 0.000 2.093 525 L HA -0.103 4.238 4.340 0.000 0.000 0.208 525 L C 2.345 179.150 176.870 -0.107 0.000 1.085 525 L CA 0.642 55.342 54.840 -0.235 0.000 0.755 525 L CB -0.306 41.385 42.059 -0.614 0.000 0.904 525 L HN 0.149 nan 8.230 nan 0.000 0.435 526 I N -0.578 119.911 120.570 -0.136 0.000 2.454 526 I HA -0.246 3.924 4.170 0.000 0.000 0.254 526 I C 2.591 178.679 176.117 -0.048 0.000 1.156 526 I CA 0.906 62.168 61.300 -0.064 0.000 1.433 526 I CB -0.235 37.590 38.000 -0.292 0.000 1.082 526 I HN 0.221 nan 8.210 nan 0.000 0.432 527 K N 1.499 121.857 120.400 -0.070 0.000 2.099 527 K HA 0.044 4.364 4.320 0.000 0.000 0.203 527 K C 0.731 177.323 176.600 -0.013 0.000 1.047 527 K CA 0.660 56.918 56.287 -0.047 0.000 0.963 527 K CB 0.082 32.544 32.500 -0.064 0.000 0.759 527 K HN 0.186 nan 8.250 nan 0.000 0.451 528 K N 1.241 121.628 120.400 -0.021 0.000 2.397 528 K HA -0.088 4.232 4.320 0.000 0.000 0.265 528 K C 1.169 177.786 176.600 0.029 0.000 0.982 528 K CA 0.251 56.533 56.287 -0.009 0.000 0.931 528 K CB 0.575 33.057 32.500 -0.031 0.000 0.943 528 K HN 0.176 nan 8.250 nan 0.000 0.501 529 E N 1.451 121.668 120.200 0.027 0.000 2.057 529 E HA -0.048 4.302 4.350 0.000 0.000 0.190 529 E C -0.404 176.229 176.600 0.053 0.000 0.969 529 E CA 0.904 57.330 56.400 0.044 0.000 0.812 529 E CB 0.472 30.191 29.700 0.031 0.000 0.777 529 E HN 0.323 nan 8.360 nan 0.000 0.455 530 K N 0.676 121.100 120.400 0.040 0.000 2.471 530 K HA 0.471 4.792 4.320 0.000 0.000 0.252 530 K C -1.531 175.100 176.600 0.052 0.000 0.938 530 K CA -0.613 55.704 56.287 0.050 0.000 0.796 530 K CB 3.017 35.536 32.500 0.032 0.000 1.161 530 K HN -0.125 nan 8.250 nan 0.000 0.425 531 V N 2.864 122.830 119.914 0.087 0.000 2.760 531 V HA 0.298 4.418 4.120 0.000 0.000 0.309 531 V C -1.681 174.521 176.094 0.180 0.000 1.077 531 V CA -0.900 61.454 62.300 0.089 0.000 0.910 531 V CB 1.795 33.651 31.823 0.055 0.000 1.008 531 V HN 0.698 nan 8.190 nan 0.000 0.424 532 Y N 5.131 125.426 120.300 -0.007 0.000 2.447 532 Y HA 0.546 5.097 4.550 0.000 0.000 0.325 532 Y C -0.771 175.126 175.900 -0.005 0.000 0.976 532 Y CA -1.067 57.036 58.100 0.004 0.000 1.280 532 Y CB 1.028 39.486 38.460 -0.002 0.000 1.104 532 Y HN 0.457 nan 8.280 nan 0.000 0.486 533 L N 5.404 126.506 121.223 -0.202 0.000 2.290 533 L HA 0.668 5.008 4.340 0.000 0.000 0.284 533 L C -0.138 176.471 176.870 -0.436 0.000 1.078 533 L CA -0.114 54.584 54.840 -0.238 0.000 0.815 533 L CB 0.565 42.572 42.059 -0.087 0.000 1.162 533 L HN 0.820 nan 8.230 nan 0.000 0.435 534 A N 4.918 127.533 122.820 -0.341 0.000 2.435 534 A HA 0.592 4.913 4.320 0.000 0.000 0.304 534 A C -1.817 175.752 177.584 -0.026 0.000 1.064 534 A CA -0.547 51.329 52.037 -0.268 0.000 0.727 534 A CB 1.466 20.252 19.000 -0.356 0.000 1.284 534 A HN 0.736 nan 8.150 nan 0.000 0.415 535 W N 2.357 123.584 121.300 -0.121 0.000 2.702 535 W HA 0.613 5.273 4.660 0.000 0.000 0.331 535 W C -1.126 175.376 176.519 -0.029 0.000 1.049 535 W CA -0.593 56.714 57.345 -0.062 0.000 1.230 535 W CB 1.915 31.344 29.460 -0.053 0.000 1.408 535 W HN 0.978 nan 8.180 nan 0.000 0.492 536 V N 4.169 123.405 119.914 -1.130 0.000 2.760 536 V HA 0.677 4.797 4.120 0.000 0.000 0.309 536 V C -2.472 172.789 176.094 -1.390 0.000 1.077 536 V CA -2.896 58.736 62.300 -1.113 0.000 0.910 536 V CB 1.662 33.214 31.823 -0.452 0.000 1.008 536 V HN 0.554 nan 8.190 nan 0.000 0.424 537 P HA 0.127 nan 4.420 nan 0.000 0.258 537 P C 0.197 177.325 177.300 -0.287 0.000 1.187 537 P CA 0.813 63.591 63.100 -0.536 0.000 0.767 537 P CB 0.444 31.996 31.700 -0.245 0.000 0.770 538 A N 3.904 126.638 122.820 -0.145 0.000 2.425 538 A HA 0.158 4.478 4.320 0.000 0.000 0.249 538 A C 0.424 177.928 177.584 -0.133 0.000 1.084 538 A CA -0.101 51.807 52.037 -0.215 0.000 0.781 538 A CB -0.912 17.979 19.000 -0.181 0.000 1.019 538 A HN 0.773 nan 8.150 nan 0.000 0.490 539 H N -0.325 118.734 119.070 -0.018 0.000 2.862 539 H HA -0.103 4.453 4.556 0.000 0.000 0.290 539 H C 0.385 175.702 175.328 -0.019 0.000 1.211 539 H CA 1.108 57.150 56.048 -0.011 0.000 1.140 539 H CB -0.937 28.829 29.762 0.006 0.000 1.341 539 H HN 0.572 nan 8.280 nan 0.000 0.392 540 K N 0.059 120.461 120.400 0.002 0.000 2.447 540 K HA 0.317 4.637 4.320 0.000 0.000 0.205 540 K C 0.850 177.430 176.600 -0.033 0.000 1.059 540 K CA 0.673 56.955 56.287 -0.008 0.000 1.065 540 K CB 1.245 33.726 32.500 -0.031 0.000 0.885 540 K HN 0.549 nan 8.250 nan 0.000 0.545 541 G N 2.683 111.455 108.800 -0.047 0.000 2.828 541 G HA2 -0.225 3.735 3.960 0.000 0.000 0.262 541 G HA3 -0.225 3.735 3.960 0.000 0.000 0.262 541 G C -0.647 174.207 174.900 -0.078 0.000 1.033 541 G CA -0.074 44.993 45.100 -0.055 0.000 1.248 541 G HN 0.227 nan 8.290 nan 0.000 0.551 542 I N 1.155 121.664 120.570 -0.101 0.000 2.689 542 I HA 0.823 4.993 4.170 0.000 0.000 0.299 542 I C 0.711 176.745 176.117 -0.139 0.000 1.059 542 I CA -0.305 60.931 61.300 -0.107 0.000 1.055 542 I CB 1.936 39.863 38.000 -0.122 0.000 1.243 542 I HN 1.004 nan 8.210 nan 0.000 0.425 543 G N 5.098 113.814 108.800 -0.139 0.000 2.097 543 G HA2 0.353 4.313 3.960 0.000 0.000 0.256 543 G HA3 0.353 4.313 3.960 0.000 0.000 0.256 543 G C 0.926 175.476 174.900 -0.584 0.000 1.082 543 G CA 0.505 45.448 45.100 -0.261 0.000 0.956 543 G HN 1.865 nan 8.290 nan 0.000 0.420 544 G N 3.155 111.637 108.800 -0.530 0.000 4.236 544 G HA2 -0.485 3.475 3.960 0.000 0.000 0.222 544 G HA3 -0.485 3.475 3.960 0.000 0.000 0.222 544 G C 1.753 176.459 174.900 -0.323 0.000 1.354 544 G CA 1.100 45.835 45.100 -0.608 0.000 0.966 544 G HN 0.995 nan 8.290 nan 0.000 0.624 545 N N 1.827 120.372 118.700 -0.259 0.000 2.069 545 N HA -0.225 4.515 4.740 0.000 0.000 0.196 545 N C 1.960 177.410 175.510 -0.100 0.000 1.024 545 N CA 2.693 55.706 53.050 -0.062 0.000 0.869 545 N CB -0.436 38.037 38.487 -0.023 0.000 1.035 545 N HN 0.808 nan 8.380 nan 0.000 0.434 546 E N 0.339 120.465 120.200 -0.124 0.000 2.068 546 E HA -0.307 4.043 4.350 0.000 0.000 0.207 546 E C 2.094 178.652 176.600 -0.068 0.000 1.032 546 E CA 1.926 58.269 56.400 -0.095 0.000 0.839 546 E CB -0.300 29.347 29.700 -0.089 0.000 0.758 546 E HN 0.555 nan 8.360 nan 0.000 0.457 547 Q N -0.070 119.682 119.800 -0.080 0.000 2.083 547 Q HA -0.122 4.218 4.340 0.000 0.000 0.198 547 Q C 2.286 178.265 176.000 -0.035 0.000 0.969 547 Q CA 1.446 57.215 55.803 -0.056 0.000 0.838 547 Q CB 0.144 28.837 28.738 -0.074 0.000 0.900 547 Q HN 0.262 nan 8.270 nan 0.000 0.436 548 V N 2.875 122.767 119.914 -0.037 0.000 2.220 548 V HA -0.361 3.759 4.120 0.000 0.000 0.250 548 V C 2.239 178.342 176.094 0.015 0.000 1.056 548 V CA 2.354 64.659 62.300 0.009 0.000 1.016 548 V CB -1.179 30.674 31.823 0.049 0.000 0.639 548 V HN 0.711 nan 8.190 nan 0.000 0.446 549 D N 0.368 120.769 120.400 0.003 0.000 2.280 549 D HA -0.278 4.363 4.640 0.000 0.000 0.206 549 D C 1.806 178.126 176.300 0.033 0.000 0.988 549 D CA 1.923 55.933 54.000 0.017 0.000 0.886 549 D CB -0.312 40.478 40.800 -0.017 0.000 0.914 549 D HN 0.476 nan 8.370 nan 0.000 0.473 550 K N 0.386 120.797 120.400 0.017 0.000 2.007 550 K HA -0.021 4.299 4.320 0.000 0.000 0.206 550 K C 2.221 178.829 176.600 0.014 0.000 1.047 550 K CA 1.348 57.645 56.287 0.017 0.000 0.937 550 K CB -0.516 31.986 32.500 0.003 0.000 0.718 550 K HN 0.299 nan 8.250 nan 0.000 0.438 551 L N -1.014 120.214 121.223 0.008 0.000 2.201 551 L HA 0.024 4.364 4.340 0.000 0.000 0.212 551 L C 1.948 178.823 176.870 0.009 0.000 1.105 551 L CA 1.001 55.843 54.840 0.004 0.000 0.775 551 L CB -0.975 41.082 42.059 -0.003 0.000 0.913 551 L HN -0.113 nan 8.230 nan 0.000 0.440 552 V N 0.410 120.336 119.914 0.020 0.000 2.307 552 V HA -0.172 3.948 4.120 0.000 0.000 0.245 552 V C 2.073 178.184 176.094 0.028 0.000 1.045 552 V CA 1.806 64.122 62.300 0.028 0.000 1.024 552 V CB -0.686 31.163 31.823 0.044 0.000 0.651 552 V HN 0.740 nan 8.190 nan 0.000 0.449 553 S N 0.705 116.424 115.700 0.033 0.000 2.815 553 S HA 0.373 4.843 4.470 0.000 0.000 0.254 553 S C 1.055 175.667 174.600 0.020 0.000 1.197 553 S CA 0.273 58.491 58.200 0.031 0.000 1.216 553 S CB 0.162 63.387 63.200 0.042 0.000 0.871 553 S HN 0.461 nan 8.310 nan 0.000 0.473 554 A N 0.473 123.301 122.820 0.013 0.000 2.236 554 A HA 0.602 4.923 4.320 0.000 0.000 0.214 554 A C 1.230 178.817 177.584 0.006 0.000 1.287 554 A CA 0.267 52.308 52.037 0.007 0.000 0.909 554 A CB -0.781 18.220 19.000 0.001 0.000 0.839 554 A HN 0.827 nan 8.150 nan 0.000 0.486 555 G N -1.252 107.554 108.800 0.009 0.000 3.454 555 G HA2 0.439 4.399 3.960 0.000 0.000 0.162 555 G HA3 0.439 4.399 3.960 0.000 0.000 0.162 555 G C 0.242 175.148 174.900 0.009 0.000 1.223 555 G CA 0.192 45.296 45.100 0.007 0.000 1.394 555 G HN 0.870 nan 8.290 nan 0.000 0.709 556 I N 1.460 122.035 120.570 0.009 0.000 2.588 556 I HA 0.760 4.930 4.170 0.000 0.000 0.283 556 I C 0.909 177.033 176.117 0.012 0.000 1.119 556 I CA 0.292 61.598 61.300 0.009 0.000 1.419 556 I CB -0.755 37.251 38.000 0.009 0.000 1.394 556 I HN 1.124 nan 8.210 nan 0.000 0.562 557 R N 4.254 124.759 120.500 0.009 0.000 2.573 557 R HA 0.939 5.279 4.340 0.000 0.000 0.272 557 R C 0.218 176.523 176.300 0.008 0.000 1.009 557 R CA -0.035 56.071 56.100 0.010 0.000 1.059 557 R CB 0.067 30.371 30.300 0.006 0.000 1.112 557 R HN 2.044 nan 8.270 nan 0.000 0.517 558 K N 0.000 120.405 120.400 0.008 0.000 2.780 558 K HA 0.000 4.320 4.320 0.000 0.000 0.191 558 K CA 0.000 56.289 56.287 0.003 0.000 0.838 558 K CB 0.000 32.507 32.500 0.012 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543