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 3klf_1_F DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFK KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXXGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQ 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.635 174.600 0.058 0.000 1.055 3 S CA 0.000 58.230 58.200 0.051 0.000 1.107 3 S CB 0.000 63.226 63.200 0.044 0.000 0.593 4 P HA 0.445 nan 4.420 nan 0.000 0.261 4 P C -1.025 176.308 177.300 0.056 0.000 1.203 4 P CA 0.041 63.175 63.100 0.057 0.000 0.767 4 P CB 0.104 31.833 31.700 0.048 0.000 0.785 5 I N 1.879 122.489 120.570 0.065 0.000 2.530 5 I HA 0.172 4.379 4.170 0.061 0.000 0.297 5 I C 0.269 176.423 176.117 0.062 0.000 1.011 5 I CA -1.111 60.225 61.300 0.061 0.000 1.107 5 I CB 1.603 39.642 38.000 0.065 0.000 1.285 5 I HN 0.388 nan 8.210 nan 0.000 0.436 6 E N 4.315 124.546 120.200 0.052 0.000 2.585 6 E HA 0.073 4.460 4.350 0.061 0.000 0.252 6 E C -0.460 176.177 176.600 0.062 0.000 0.981 6 E CA -0.171 56.261 56.400 0.052 0.000 0.943 6 E CB -0.412 29.314 29.700 0.042 0.000 0.923 6 E HN 0.630 nan 8.360 nan 0.000 0.486 7 T N 0.220 114.816 114.554 0.070 0.000 2.779 7 T HA 0.229 4.615 4.350 0.061 0.000 0.296 7 T C 0.632 175.378 174.700 0.076 0.000 0.938 7 T CA -0.825 61.324 62.100 0.081 0.000 1.119 7 T CB 0.831 69.752 68.868 0.088 0.000 0.891 7 T HN 0.532 nan 8.240 nan 0.000 0.526 8 V N 2.614 122.580 119.914 0.086 0.000 2.617 8 V HA 0.309 4.465 4.120 0.061 0.000 0.304 8 V C -2.030 174.119 176.094 0.092 0.000 1.040 8 V CA -1.616 60.742 62.300 0.098 0.000 1.149 8 V CB -0.564 31.340 31.823 0.134 0.000 0.914 8 V HN 0.854 nan 8.190 nan 0.000 0.487 9 P HA 0.261 nan 4.420 nan 0.000 0.276 9 P C -0.519 176.797 177.300 0.027 0.000 1.243 9 P CA -0.171 62.963 63.100 0.056 0.000 0.768 9 P CB 1.400 33.138 31.700 0.064 0.000 0.856 10 V N 5.290 125.125 119.914 -0.132 0.000 2.353 10 V HA 0.104 4.261 4.120 0.061 0.000 0.264 10 V C 0.954 176.925 176.094 -0.205 0.000 1.049 10 V CA -0.473 61.548 62.300 -0.466 0.000 0.896 10 V CB 0.194 31.371 31.823 -1.077 0.000 1.025 10 V HN 0.472 nan 8.190 nan 0.000 0.475 11 K N 4.526 124.897 120.400 -0.048 0.000 2.185 11 K HA 0.492 4.849 4.320 0.061 0.000 0.271 11 K C -0.611 176.001 176.600 0.020 0.000 1.013 11 K CA -0.762 55.546 56.287 0.036 0.000 0.943 11 K CB 1.753 34.304 32.500 0.086 0.000 0.998 11 K HN 0.354 nan 8.250 nan 0.000 0.468 12 L N 1.913 123.158 121.223 0.037 0.000 2.334 12 L HA 0.230 4.606 4.340 0.061 0.000 0.275 12 L C -0.123 176.753 176.870 0.010 0.000 1.036 12 L CA -0.425 54.423 54.840 0.014 0.000 0.807 12 L CB 1.100 43.132 42.059 -0.045 0.000 1.231 12 L HN 0.388 nan 8.230 nan 0.000 0.438 13 K N 4.668 125.069 120.400 0.001 0.000 2.441 13 K HA -0.019 4.338 4.320 0.061 0.000 0.273 13 K C -2.238 174.362 176.600 -0.000 0.000 1.090 13 K CA -0.940 55.343 56.287 -0.006 0.000 1.158 13 K CB -0.383 32.111 32.500 -0.011 0.000 0.847 13 K HN 0.418 nan 8.250 nan 0.000 0.483 14 P HA -0.101 nan 4.420 nan 0.000 0.255 14 P C 0.612 177.922 177.300 0.016 0.000 1.173 14 P CA 0.974 64.082 63.100 0.012 0.000 0.780 14 P CB 0.211 31.916 31.700 0.009 0.000 0.758 15 G N 2.648 111.463 108.800 0.025 0.000 2.136 15 G HA2 -0.242 3.755 3.960 0.061 0.000 0.242 15 G HA3 -0.242 3.755 3.960 0.061 0.000 0.242 15 G C 0.170 175.089 174.900 0.033 0.000 0.989 15 G CA -0.536 44.583 45.100 0.031 0.000 0.682 15 G HN 0.406 nan 8.290 nan 0.000 0.522 16 M N 0.817 120.430 119.600 0.022 0.000 2.216 16 M HA 0.355 4.872 4.480 0.061 0.000 0.356 16 M C -0.001 176.319 176.300 0.033 0.000 1.205 16 M CA -0.525 54.784 55.300 0.016 0.000 1.122 16 M CB 1.017 33.609 32.600 -0.013 0.000 1.571 16 M HN 0.239 nan 8.290 nan 0.000 0.464 17 D N 1.863 122.303 120.400 0.068 0.000 2.210 17 D HA 0.468 5.145 4.640 0.061 0.000 0.249 17 D C 0.449 176.835 176.300 0.143 0.000 1.078 17 D CA 0.105 54.194 54.000 0.148 0.000 0.875 17 D CB 1.143 42.030 40.800 0.145 0.000 1.175 17 D HN 0.711 nan 8.370 nan 0.000 0.440 18 G N 2.914 111.875 108.800 0.268 0.000 2.712 18 G HA2 0.245 4.242 3.960 0.061 0.000 0.258 18 G HA3 0.245 4.242 3.960 0.061 0.000 0.258 18 G C -2.188 172.891 174.900 0.298 0.000 1.241 18 G CA -0.870 44.291 45.100 0.102 0.000 0.923 18 G HN 0.511 nan 8.290 nan 0.000 0.548 19 P HA 0.292 nan 4.420 nan 0.000 0.279 19 P C -1.180 176.292 177.300 0.285 0.000 1.239 19 P CA -0.178 63.063 63.100 0.234 0.000 0.789 19 P CB 1.178 32.993 31.700 0.192 0.000 0.933 20 K N 1.865 122.376 120.400 0.185 0.000 2.814 20 K HA 0.411 4.768 4.320 0.061 0.000 0.205 20 K C -1.158 175.502 176.600 0.101 0.000 1.093 20 K CA -0.512 55.849 56.287 0.124 0.000 1.035 20 K CB 1.486 34.031 32.500 0.075 0.000 1.220 20 K HN 0.167 nan 8.250 nan 0.000 0.576 21 V N 2.874 122.850 119.914 0.104 0.000 2.540 21 V HA 0.315 4.472 4.120 0.061 0.000 0.302 21 V C -0.047 176.098 176.094 0.084 0.000 1.035 21 V CA -1.119 61.244 62.300 0.105 0.000 0.873 21 V CB 1.690 33.588 31.823 0.125 0.000 0.992 21 V HN 0.455 nan 8.190 nan 0.000 0.428 22 K N 2.642 123.096 120.400 0.090 0.000 2.258 22 K HA 0.285 4.642 4.320 0.061 0.000 0.264 22 K C -0.123 176.508 176.600 0.051 0.000 1.007 22 K CA -0.389 55.938 56.287 0.065 0.000 0.941 22 K CB 1.016 33.560 32.500 0.075 0.000 0.966 22 K HN 0.710 nan 8.250 nan 0.000 0.480 23 Q N 2.438 122.224 119.800 -0.023 0.000 2.299 23 Q HA 0.141 4.518 4.340 0.061 0.000 0.246 23 Q C -1.009 174.947 176.000 -0.072 0.000 0.935 23 Q CA -0.288 55.411 55.803 -0.172 0.000 0.887 23 Q CB 0.678 29.314 28.738 -0.171 0.000 1.223 23 Q HN 0.538 nan 8.270 nan 0.000 0.439 24 W N 1.878 123.170 121.300 -0.013 0.000 2.578 24 W HA 0.567 5.264 4.660 0.061 0.000 0.346 24 W C -2.444 174.037 176.519 -0.063 0.000 1.075 24 W CA -2.610 54.709 57.345 -0.044 0.000 1.233 24 W CB -0.743 28.678 29.460 -0.064 0.000 1.358 24 W HN 0.512 nan 8.180 nan 0.000 0.574 25 P HA 0.016 nan 4.420 nan 0.000 0.264 25 P C -0.529 176.851 177.300 0.133 0.000 1.179 25 P CA 0.588 63.752 63.100 0.106 0.000 0.763 25 P CB 0.536 32.269 31.700 0.055 0.000 0.806 26 L N 1.513 122.763 121.223 0.044 0.000 2.408 26 L HA 0.398 4.775 4.340 0.061 0.000 0.268 26 L C 0.647 177.511 176.870 -0.010 0.000 0.986 26 L CA -0.927 53.931 54.840 0.029 0.000 0.820 26 L CB 2.102 44.145 42.059 -0.027 0.000 1.303 26 L HN 0.350 nan 8.230 nan 0.000 0.411 27 T N -2.589 111.957 114.554 -0.014 0.000 2.903 27 T HA -0.000 4.387 4.350 0.061 0.000 0.314 27 T C 1.007 175.674 174.700 -0.055 0.000 1.078 27 T CA -0.149 61.936 62.100 -0.025 0.000 1.114 27 T CB 1.362 70.224 68.868 -0.010 0.000 0.987 27 T HN 0.837 nan 8.240 nan 0.000 0.548 28 E N 1.472 121.645 120.200 -0.044 0.000 2.048 28 E HA -0.332 4.055 4.350 0.061 0.000 0.202 28 E C 2.008 178.547 176.600 -0.102 0.000 1.021 28 E CA 2.028 58.393 56.400 -0.059 0.000 0.825 28 E CB -0.256 29.424 29.700 -0.033 0.000 0.756 28 E HN 0.947 nan 8.360 nan 0.000 0.454 29 E N 0.950 121.096 120.200 -0.090 0.000 2.160 29 E HA -0.273 4.114 4.350 0.061 0.000 0.195 29 E C 1.974 178.334 176.600 -0.400 0.000 0.991 29 E CA 1.740 58.054 56.400 -0.143 0.000 0.810 29 E CB -0.433 29.267 29.700 0.000 0.000 0.742 29 E HN 0.403 nan 8.360 nan 0.000 0.466 30 K N 0.545 120.707 120.400 -0.397 0.000 2.404 30 K HA 0.122 4.479 4.320 0.061 0.000 0.194 30 K C 1.861 178.235 176.600 -0.376 0.000 1.023 30 K CA 0.254 56.177 56.287 -0.607 0.000 1.094 30 K CB 0.157 32.398 32.500 -0.431 0.000 0.841 30 K HN 0.180 nan 8.250 nan 0.000 0.523 31 I N 1.505 121.929 120.570 -0.243 0.000 2.339 31 I HA -0.122 4.084 4.170 0.061 0.000 0.245 31 I C 1.875 177.888 176.117 -0.175 0.000 1.096 31 I CA 0.911 62.112 61.300 -0.166 0.000 1.408 31 I CB -0.053 37.885 38.000 -0.104 0.000 1.092 31 I HN 0.188 nan 8.210 nan 0.000 0.423 32 K N 1.008 121.299 120.400 -0.182 0.000 2.280 32 K HA -0.088 4.268 4.320 0.061 0.000 0.202 32 K C 2.086 178.567 176.600 -0.199 0.000 1.047 32 K CA 1.207 57.403 56.287 -0.152 0.000 0.942 32 K CB -0.068 32.362 32.500 -0.116 0.000 0.739 32 K HN 0.289 nan 8.250 nan 0.000 0.457 33 A N 0.856 123.464 122.820 -0.352 0.000 1.898 33 A HA -0.089 4.267 4.320 0.061 0.000 0.214 33 A C 1.981 179.412 177.584 -0.255 0.000 1.183 33 A CA 0.861 52.643 52.037 -0.425 0.000 0.622 33 A CB -0.307 18.071 19.000 -1.038 0.000 0.824 33 A HN 0.140 nan 8.150 nan 0.000 0.444 34 L N -0.335 120.739 121.223 -0.247 0.000 2.093 34 L HA -0.077 4.300 4.340 0.061 0.000 0.208 34 L C 2.462 179.271 176.870 -0.101 0.000 1.085 34 L CA 1.304 56.049 54.840 -0.157 0.000 0.755 34 L CB -0.327 41.644 42.059 -0.146 0.000 0.904 34 L HN 0.184 nan 8.230 nan 0.000 0.435 35 V N -0.489 119.372 119.914 -0.088 0.000 2.295 35 V HA -0.302 3.854 4.120 0.061 0.000 0.246 35 V C 2.497 178.558 176.094 -0.054 0.000 1.049 35 V CA 1.961 64.234 62.300 -0.045 0.000 1.024 35 V CB -0.513 31.288 31.823 -0.037 0.000 0.648 35 V HN 0.581 nan 8.190 nan 0.000 0.447 36 E N 0.270 120.431 120.200 -0.065 0.000 2.012 36 E HA -0.249 4.138 4.350 0.061 0.000 0.197 36 E C 2.277 178.843 176.600 -0.057 0.000 1.007 36 E CA 2.043 58.413 56.400 -0.051 0.000 0.816 36 E CB -0.139 29.535 29.700 -0.043 0.000 0.762 36 E HN 0.417 nan 8.360 nan 0.000 0.451 37 I N 1.341 121.874 120.570 -0.062 0.000 2.248 37 I HA -0.320 3.886 4.170 0.061 0.000 0.248 37 I C 2.687 178.740 176.117 -0.107 0.000 1.107 37 I CA 0.964 62.227 61.300 -0.061 0.000 1.373 37 I CB -1.647 36.326 38.000 -0.046 0.000 1.055 37 I HN 0.384 nan 8.210 nan 0.000 0.418 38 C N 0.626 119.842 119.300 -0.140 0.000 2.475 38 C HA -0.090 4.407 4.460 0.061 0.000 0.279 38 C C 3.019 177.852 174.990 -0.262 0.000 1.322 38 C CA 1.399 60.266 59.018 -0.252 0.000 1.734 38 C CB -1.089 26.465 27.740 -0.311 0.000 2.005 38 C HN 0.656 nan 8.230 nan 0.000 0.495 39 T N -0.892 113.578 114.554 -0.141 0.000 2.995 39 T HA -0.084 4.302 4.350 0.061 0.000 0.269 39 T C 1.403 176.055 174.700 -0.081 0.000 1.091 39 T CA 1.285 63.335 62.100 -0.083 0.000 1.128 39 T CB -0.249 68.601 68.868 -0.030 0.000 0.891 39 T HN 0.508 nan 8.240 nan 0.000 0.492 40 E N 0.963 121.110 120.200 -0.089 0.000 2.122 40 E HA 0.166 4.553 4.350 0.061 0.000 0.190 40 E C 2.157 178.694 176.600 -0.106 0.000 0.977 40 E CA 0.535 56.890 56.400 -0.075 0.000 0.820 40 E CB -0.347 29.318 29.700 -0.059 0.000 0.770 40 E HN 0.530 nan 8.360 nan 0.000 0.462 41 M N 0.721 120.227 119.600 -0.157 0.000 2.213 41 M HA -0.156 4.361 4.480 0.061 0.000 0.263 41 M C 2.285 178.474 176.300 -0.185 0.000 1.062 41 M CA 1.268 56.442 55.300 -0.210 0.000 1.105 41 M CB -0.061 32.374 32.600 -0.275 0.000 1.385 41 M HN 0.059 nan 8.290 nan 0.000 0.417 42 E N 0.514 120.609 120.200 -0.176 0.000 2.072 42 E HA -0.186 4.201 4.350 0.061 0.000 0.190 42 E C 1.775 178.340 176.600 -0.058 0.000 0.982 42 E CA 1.129 57.463 56.400 -0.111 0.000 0.803 42 E CB 0.202 29.866 29.700 -0.059 0.000 0.755 42 E HN 0.419 nan 8.360 nan 0.000 0.453 43 K N 0.437 120.804 120.400 -0.055 0.000 2.057 43 K HA -0.111 4.245 4.320 0.061 0.000 0.206 43 K C 1.886 178.467 176.600 -0.033 0.000 1.050 43 K CA 1.415 57.682 56.287 -0.033 0.000 0.935 43 K CB -0.010 32.473 32.500 -0.028 0.000 0.715 43 K HN 0.140 nan 8.250 nan 0.000 0.439 44 E N -0.212 119.958 120.200 -0.050 0.000 2.515 44 E HA -0.057 4.329 4.350 0.061 0.000 0.201 44 E C 0.816 177.394 176.600 -0.035 0.000 1.071 44 E CA 0.357 56.731 56.400 -0.043 0.000 0.880 44 E CB 0.008 29.668 29.700 -0.067 0.000 0.828 44 E HN 0.524 nan 8.360 nan 0.000 0.540 45 G N 1.566 110.344 108.800 -0.038 0.000 2.168 45 G HA2 -0.360 3.637 3.960 0.061 0.000 0.263 45 G HA3 -0.360 3.637 3.960 0.061 0.000 0.263 45 G C 1.042 175.931 174.900 -0.019 0.000 0.977 45 G CA 0.803 45.891 45.100 -0.019 0.000 0.659 45 G HN 0.149 nan 8.290 nan 0.000 0.533 46 K N -0.030 120.331 120.400 -0.065 0.000 2.057 46 K HA 0.047 4.403 4.320 0.061 0.000 0.207 46 K C 1.780 178.363 176.600 -0.028 0.000 1.049 46 K CA 1.754 58.010 56.287 -0.052 0.000 0.931 46 K CB -0.276 32.087 32.500 -0.229 0.000 0.714 46 K HN 0.903 nan 8.250 nan 0.000 0.440 47 I N -3.169 117.323 120.570 -0.131 0.000 2.910 47 I HA 0.440 4.647 4.170 0.061 0.000 0.310 47 I C -0.577 175.505 176.117 -0.057 0.000 1.043 47 I CA -0.998 60.202 61.300 -0.166 0.000 1.053 47 I CB 2.328 40.111 38.000 -0.362 0.000 1.242 47 I HN -0.249 nan 8.210 nan 0.000 0.452 48 S N 2.190 117.886 115.700 -0.007 0.000 2.557 48 S HA 0.424 4.930 4.470 0.061 0.000 0.291 48 S C -0.564 174.068 174.600 0.053 0.000 1.116 48 S CA -0.811 57.410 58.200 0.034 0.000 0.992 48 S CB 1.275 64.477 63.200 0.004 0.000 1.028 48 S HN 0.660 nan 8.310 nan 0.000 0.484 49 K N 3.038 123.456 120.400 0.030 0.000 2.440 49 K HA 0.345 4.702 4.320 0.061 0.000 0.270 49 K C 0.076 176.563 176.600 -0.188 0.000 0.980 49 K CA 0.308 56.477 56.287 -0.196 0.000 0.953 49 K CB 0.205 32.570 32.500 -0.226 0.000 0.925 49 K HN 0.690 nan 8.250 nan 0.000 0.497 50 I N -2.808 117.602 120.570 -0.267 0.000 3.279 50 I HA 0.556 4.762 4.170 0.061 0.000 0.315 50 I C 0.047 176.048 176.117 -0.194 0.000 1.225 50 I CA -1.256 59.930 61.300 -0.189 0.000 0.947 50 I CB 1.900 39.802 38.000 -0.164 0.000 1.293 50 I HN 0.582 nan 8.210 nan 0.000 0.468 51 G N 0.450 109.163 108.800 -0.144 0.000 2.795 51 G HA2 0.651 4.647 3.960 0.061 0.000 0.267 51 G HA3 0.651 4.647 3.960 0.061 0.000 0.267 51 G C -2.274 172.554 174.900 -0.120 0.000 1.362 51 G CA -1.209 43.813 45.100 -0.130 0.000 1.048 51 G HN 0.580 nan 8.290 nan 0.000 0.547 52 P HA 0.090 nan 4.420 nan 0.000 0.257 52 P C 0.743 177.985 177.300 -0.096 0.000 1.325 52 P CA 0.300 63.342 63.100 -0.097 0.000 0.850 52 P CB 0.556 32.204 31.700 -0.086 0.000 1.324 53 E N 0.340 120.485 120.200 -0.093 0.000 2.427 53 E HA -0.102 4.285 4.350 0.061 0.000 0.196 53 E C 0.183 176.719 176.600 -0.106 0.000 1.028 53 E CA 0.163 56.509 56.400 -0.089 0.000 0.864 53 E CB -0.888 28.767 29.700 -0.074 0.000 0.813 53 E HN 0.329 nan 8.360 nan 0.000 0.514 54 N N 2.736 121.370 118.700 -0.109 0.000 2.437 54 N HA 0.090 4.867 4.740 0.061 0.000 0.243 54 N C -1.553 173.844 175.510 -0.187 0.000 1.041 54 N CA -1.498 51.485 53.050 -0.112 0.000 0.940 54 N CB 1.204 39.653 38.487 -0.062 0.000 1.133 54 N HN -0.191 nan 8.380 nan 0.000 0.506 55 P HA -0.123 nan 4.420 nan 0.000 0.228 55 P C -0.599 176.393 177.300 -0.514 0.000 1.151 55 P CA 0.865 63.683 63.100 -0.470 0.000 0.770 55 P CB 0.058 31.397 31.700 -0.602 0.000 0.786 56 Y N 0.581 120.854 120.300 -0.044 0.000 2.326 56 Y HA 0.521 5.108 4.550 0.061 0.000 0.324 56 Y C 0.966 176.870 175.900 0.007 0.000 1.291 56 Y CA -0.476 57.623 58.100 -0.003 0.000 1.348 56 Y CB 0.423 38.879 38.460 -0.006 0.000 1.294 56 Y HN -0.118 nan 8.280 nan 0.000 0.525 57 N N -1.308 117.516 118.700 0.207 0.000 3.217 57 N HA 0.405 5.181 4.740 0.061 0.000 0.236 57 N C -1.996 173.598 175.510 0.141 0.000 1.136 57 N CA -0.441 52.693 53.050 0.141 0.000 0.997 57 N CB 1.467 39.996 38.487 0.071 0.000 1.658 57 N HN 0.585 nan 8.380 nan 0.000 0.527 58 T N 2.440 117.069 114.554 0.124 0.000 2.912 58 T HA 0.584 4.970 4.350 0.061 0.000 0.299 58 T C -2.889 171.804 174.700 -0.011 0.000 1.052 58 T CA -0.900 61.232 62.100 0.054 0.000 0.996 58 T CB 2.254 71.117 68.868 -0.009 0.000 1.070 58 T HN 0.325 nan 8.240 nan 0.000 0.465 59 P HA 0.412 nan 4.420 nan 0.000 0.278 59 P C -0.816 176.333 177.300 -0.251 0.000 1.238 59 P CA -0.426 62.532 63.100 -0.236 0.000 0.794 59 P CB 0.964 32.468 31.700 -0.326 0.000 0.955 60 V N 0.287 119.985 119.914 -0.360 0.000 3.001 60 V HA 0.870 5.027 4.120 0.061 0.000 0.314 60 V C -0.387 175.605 176.094 -0.170 0.000 1.099 60 V CA -0.743 61.410 62.300 -0.244 0.000 0.989 60 V CB 1.484 33.088 31.823 -0.365 0.000 1.040 60 V HN 0.688 nan 8.190 nan 0.000 0.434 61 F N -0.021 119.742 119.950 -0.312 0.000 3.523 61 F HA 1.063 5.626 4.527 0.061 0.000 0.328 61 F C -0.516 175.238 175.800 -0.078 0.000 1.181 61 F CA -1.153 56.726 58.000 -0.203 0.000 0.901 61 F CB 0.756 39.751 39.000 -0.008 0.000 1.586 61 F HN 1.159 nan 8.300 nan 0.000 0.520 62 A N 0.798 123.614 122.820 -0.005 0.000 2.604 62 A HA 0.772 5.129 4.320 0.061 0.000 0.295 62 A C -1.857 175.884 177.584 0.262 0.000 1.067 62 A CA -0.303 51.705 52.037 -0.049 0.000 0.683 62 A CB 1.726 20.702 19.000 -0.041 0.000 1.281 62 A HN 1.590 nan 8.150 nan 0.000 0.407 63 I N -1.077 119.677 120.570 0.308 0.000 2.769 63 I HA 0.678 4.884 4.170 0.061 0.000 0.298 63 I C -0.850 175.279 176.117 0.020 0.000 1.128 63 I CA -0.858 60.625 61.300 0.306 0.000 1.031 63 I CB 1.853 39.937 38.000 0.140 0.000 1.235 63 I HN 0.770 nan 8.210 nan 0.000 0.423 64 K N 5.314 125.444 120.400 -0.449 0.000 2.316 64 K HA 0.462 4.819 4.320 0.061 0.000 0.267 64 K C -0.680 175.698 176.600 -0.370 0.000 1.025 64 K CA -0.488 55.359 56.287 -0.733 0.000 0.896 64 K CB 1.312 33.004 32.500 -1.347 0.000 1.124 64 K HN 0.723 nan 8.250 nan 0.000 0.451 65 K N 2.082 122.320 120.400 -0.269 0.000 2.179 65 K HA 0.247 4.604 4.320 0.061 0.000 0.238 65 K C -0.246 176.244 176.600 -0.184 0.000 1.033 65 K CA -0.902 55.267 56.287 -0.197 0.000 0.926 65 K CB 0.568 32.960 32.500 -0.180 0.000 1.151 65 K HN 0.360 nan 8.250 nan 0.000 0.492 66 K N 2.180 122.490 120.400 -0.150 0.000 2.453 66 K HA -0.097 4.260 4.320 0.061 0.000 0.280 66 K C -0.024 176.499 176.600 -0.129 0.000 1.045 66 K CA 0.900 57.112 56.287 -0.126 0.000 1.059 66 K CB 0.053 32.492 32.500 -0.102 0.000 0.901 66 K HN 0.756 nan 8.250 nan 0.000 0.475 67 D N 0.603 120.936 120.400 -0.113 0.000 2.946 67 D HA -0.166 4.511 4.640 0.061 0.000 0.202 67 D C -1.035 175.198 176.300 -0.112 0.000 1.068 67 D CA 1.441 55.381 54.000 -0.100 0.000 1.011 67 D CB -0.644 40.101 40.800 -0.093 0.000 1.105 67 D HN 0.432 nan 8.370 nan 0.000 0.425 68 S N -0.386 115.229 115.700 -0.141 0.000 2.420 68 S HA 0.369 4.876 4.470 0.061 0.000 0.313 68 S C 1.032 175.523 174.600 -0.182 0.000 1.079 68 S CA -0.100 58.013 58.200 -0.146 0.000 1.104 68 S CB 1.632 64.740 63.200 -0.155 0.000 0.969 68 S HN 0.239 nan 8.310 nan 0.000 0.471 69 T N 2.082 116.551 114.554 -0.143 0.000 3.023 69 T HA 0.045 4.431 4.350 0.061 0.000 0.266 69 T C 0.682 175.278 174.700 -0.174 0.000 1.093 69 T CA 0.628 62.633 62.100 -0.158 0.000 1.129 69 T CB 0.081 68.901 68.868 -0.081 0.000 0.899 69 T HN 0.247 nan 8.240 nan 0.000 0.491 70 K N 1.470 121.802 120.400 -0.112 0.000 2.322 70 K HA 0.177 4.533 4.320 0.061 0.000 0.283 70 K C -0.490 176.073 176.600 -0.062 0.000 1.042 70 K CA -0.321 55.948 56.287 -0.030 0.000 0.958 70 K CB 0.504 33.006 32.500 0.003 0.000 0.984 70 K HN 0.318 nan 8.250 nan 0.000 0.473 71 W N 1.798 123.081 121.300 -0.028 0.000 2.126 71 W HA 0.181 4.878 4.660 0.061 0.000 0.346 71 W C 1.054 177.547 176.519 -0.043 0.000 1.279 71 W CA -0.027 57.297 57.345 -0.035 0.000 1.259 71 W CB 0.479 29.919 29.460 -0.033 0.000 1.133 71 W HN 0.362 nan 8.180 nan 0.000 0.592 72 R N 2.486 123.123 120.500 0.228 0.000 2.561 72 R HA 0.294 4.670 4.340 0.061 0.000 0.297 72 R C -0.625 175.712 176.300 0.061 0.000 0.969 72 R CA -0.945 55.215 56.100 0.099 0.000 0.879 72 R CB 1.185 31.493 30.300 0.014 0.000 1.178 72 R HN 0.479 nan 8.270 nan 0.000 0.445 73 K N 3.566 123.980 120.400 0.024 0.000 2.237 73 K HA 0.279 4.636 4.320 0.061 0.000 0.270 73 K C -1.363 175.161 176.600 -0.125 0.000 1.015 73 K CA -0.489 55.758 56.287 -0.066 0.000 0.949 73 K CB 0.752 33.228 32.500 -0.040 0.000 0.976 73 K HN 0.327 nan 8.250 nan 0.000 0.472 74 L N 4.386 125.438 121.223 -0.286 0.000 2.505 74 L HA 0.393 4.769 4.340 0.061 0.000 0.266 74 L C -1.824 174.874 176.870 -0.287 0.000 0.954 74 L CA -0.566 54.084 54.840 -0.316 0.000 0.852 74 L CB 1.877 43.600 42.059 -0.559 0.000 1.282 74 L HN 0.435 nan 8.230 nan 0.000 0.403 75 V N 3.204 123.037 119.914 -0.136 0.000 2.581 75 V HA 0.418 4.574 4.120 0.061 0.000 0.303 75 V C -0.380 175.654 176.094 -0.100 0.000 1.041 75 V CA -0.630 61.527 62.300 -0.238 0.000 0.907 75 V CB 1.762 33.239 31.823 -0.577 0.000 0.994 75 V HN 0.747 nan 8.190 nan 0.000 0.442 76 D N 2.747 123.135 120.400 -0.019 0.000 2.619 76 D HA 0.199 4.876 4.640 0.061 0.000 0.224 76 D C 0.408 176.726 176.300 0.029 0.000 1.133 76 D CA -0.200 53.880 54.000 0.133 0.000 1.017 76 D CB -0.160 40.804 40.800 0.274 0.000 1.077 76 D HN 0.398 nan 8.370 nan 0.000 0.503 77 F N 0.732 120.786 119.950 0.174 0.000 2.754 77 F HA 0.159 4.722 4.527 0.061 0.000 0.303 77 F C 2.197 178.088 175.800 0.152 0.000 1.196 77 F CA -0.101 57.993 58.000 0.156 0.000 1.416 77 F CB -0.183 38.923 39.000 0.177 0.000 1.092 77 F HN 0.194 nan 8.300 nan 0.000 0.541 78 R N 0.710 121.359 120.500 0.249 0.000 2.133 78 R HA -0.267 4.109 4.340 0.061 0.000 0.247 78 R C 2.195 178.591 176.300 0.159 0.000 1.151 78 R CA 2.028 58.216 56.100 0.146 0.000 0.971 78 R CB -0.086 30.227 30.300 0.022 0.000 0.866 78 R HN 0.264 nan 8.270 nan 0.000 0.447 79 E N 0.006 120.312 120.200 0.177 0.000 2.014 79 E HA -0.106 4.281 4.350 0.061 0.000 0.190 79 E C 1.741 178.465 176.600 0.206 0.000 0.980 79 E CA 0.941 57.439 56.400 0.164 0.000 0.807 79 E CB -0.427 29.362 29.700 0.148 0.000 0.770 79 E HN 0.249 nan 8.360 nan 0.000 0.451 80 L N 1.177 122.551 121.223 0.252 0.000 2.351 80 L HA -0.182 4.194 4.340 0.061 0.000 0.220 80 L C 1.065 178.135 176.870 0.332 0.000 1.127 80 L CA 1.654 56.624 54.840 0.216 0.000 0.786 80 L CB -0.744 41.447 42.059 0.220 0.000 0.914 80 L HN 0.227 nan 8.230 nan 0.000 0.443 81 N N 0.235 119.173 118.700 0.397 0.000 2.290 81 N HA -0.107 4.670 4.740 0.061 0.000 0.179 81 N C 1.615 177.447 175.510 0.537 0.000 1.016 81 N CA 0.799 54.162 53.050 0.522 0.000 0.871 81 N CB 0.001 38.676 38.487 0.313 0.000 0.987 81 N HN 0.417 nan 8.380 nan 0.000 0.431 82 K N 1.032 121.630 120.400 0.330 0.000 2.209 82 K HA -0.042 4.315 4.320 0.061 0.000 0.204 82 K C 1.463 178.175 176.600 0.185 0.000 1.048 82 K CA 0.870 57.305 56.287 0.247 0.000 0.940 82 K CB 0.062 32.650 32.500 0.146 0.000 0.729 82 K HN 0.316 nan 8.250 nan 0.000 0.451 83 R N 0.260 120.869 120.500 0.183 0.000 2.359 83 R HA 0.063 4.440 4.340 0.061 0.000 0.231 83 R C 0.828 177.198 176.300 0.116 0.000 0.913 83 R CA 0.836 56.998 56.100 0.104 0.000 1.075 83 R CB 0.076 30.404 30.300 0.047 0.000 1.087 83 R HN 0.061 nan 8.270 nan 0.000 0.515 84 T N -3.543 111.159 114.554 0.247 0.000 3.111 84 T HA 0.011 4.398 4.350 0.061 0.000 0.284 84 T C 1.502 176.195 174.700 -0.011 0.000 0.983 84 T CA -0.392 61.864 62.100 0.260 0.000 0.900 84 T CB 0.673 69.888 68.868 0.578 0.000 1.132 84 T HN 0.159 nan 8.240 nan 0.000 0.531 85 Q N 1.858 121.547 119.800 -0.185 0.000 2.133 85 Q HA -0.299 4.078 4.340 0.061 0.000 0.208 85 Q C 1.812 177.201 176.000 -1.017 0.000 0.991 85 Q CA 2.565 57.746 55.803 -1.037 0.000 0.867 85 Q CB -0.477 27.981 28.738 -0.466 0.000 0.911 85 Q HN 0.578 nan 8.270 nan 0.000 0.417 86 D N -0.869 119.267 120.400 -0.441 0.000 2.106 86 D HA -0.229 4.447 4.640 0.061 0.000 0.191 86 D C 1.537 177.656 176.300 -0.301 0.000 0.997 86 D CA 1.676 55.495 54.000 -0.302 0.000 0.834 86 D CB -0.362 40.359 40.800 -0.131 0.000 0.956 86 D HN 0.421 nan 8.370 nan 0.000 0.448 87 F N 0.669 120.416 119.950 -0.338 0.000 2.069 87 F HA -0.158 4.406 4.527 0.061 0.000 0.298 87 F C 1.962 177.622 175.800 -0.233 0.000 1.113 87 F CA 2.175 60.039 58.000 -0.227 0.000 1.214 87 F CB -0.493 38.441 39.000 -0.109 0.000 0.978 87 F HN 0.292 nan 8.300 nan 0.000 0.474 88 W N 0.343 121.553 121.300 -0.150 0.000 2.863 88 W HA 0.132 4.828 4.660 0.060 0.000 0.258 88 W C 1.681 178.063 176.519 -0.228 0.000 1.298 88 W CA 0.770 57.922 57.345 -0.321 0.000 1.451 88 W CB -1.015 28.298 29.460 -0.245 0.000 1.107 88 W HN 0.316 nan 8.180 nan 0.000 0.641 89 E N 1.361 121.291 120.200 -0.449 0.000 2.251 89 E HA -0.052 4.335 4.350 0.061 0.000 0.194 89 E C 1.701 178.204 176.600 -0.162 0.000 0.964 89 E CA 0.620 56.907 56.400 -0.188 0.000 0.868 89 E CB 0.197 29.638 29.700 -0.432 0.000 0.828 89 E HN 0.016 nan 8.360 nan 0.000 0.481 90 V N 1.118 120.882 119.914 -0.249 0.000 2.607 90 V HA -0.107 4.050 4.120 0.061 0.000 0.228 90 V C 2.334 178.323 176.094 -0.174 0.000 1.106 90 V CA 1.072 63.266 62.300 -0.176 0.000 1.141 90 V CB -0.702 31.019 31.823 -0.170 0.000 0.808 90 V HN 0.206 nan 8.190 nan 0.000 0.501 91 Q N 0.151 119.817 119.800 -0.222 0.000 2.014 91 Q HA -0.151 4.226 4.340 0.061 0.000 0.207 91 Q C 1.413 177.258 176.000 -0.259 0.000 0.993 91 Q CA 1.612 57.278 55.803 -0.228 0.000 0.850 91 Q CB -0.190 28.392 28.738 -0.260 0.000 0.916 91 Q HN 0.439 nan 8.270 nan 0.000 0.417 92 L N 1.216 122.202 121.223 -0.396 0.000 3.073 92 L HA 0.300 4.677 4.340 0.061 0.000 0.242 92 L C 0.528 177.270 176.870 -0.213 0.000 1.317 92 L CA -0.800 53.837 54.840 -0.338 0.000 1.081 92 L CB 0.420 42.167 42.059 -0.520 0.000 1.456 92 L HN 0.076 nan 8.230 nan 0.000 0.525 93 G N 0.561 109.280 108.800 -0.134 0.000 2.594 93 G HA2 0.301 4.298 3.960 0.061 0.000 0.243 93 G HA3 0.301 4.298 3.960 0.061 0.000 0.243 93 G C -0.663 174.230 174.900 -0.011 0.000 1.229 93 G CA -0.205 44.874 45.100 -0.035 0.000 0.843 93 G HN 0.235 nan 8.290 nan 0.000 0.578 94 I N 2.290 122.885 120.570 0.043 0.000 2.466 94 I HA 0.373 4.579 4.170 0.061 0.000 0.289 94 I C -1.763 174.449 176.117 0.158 0.000 1.026 94 I CA -2.541 58.794 61.300 0.059 0.000 1.078 94 I CB 2.258 40.261 38.000 0.005 0.000 1.249 94 I HN 0.421 nan 8.210 nan 0.000 0.429 95 P HA 0.062 nan 4.420 nan 0.000 0.268 95 P C -1.444 176.069 177.300 0.356 0.000 1.208 95 P CA 0.221 63.443 63.100 0.204 0.000 0.777 95 P CB 0.553 32.325 31.700 0.120 0.000 0.875 96 H N 2.774 121.936 119.070 0.153 0.000 2.685 96 H HA 0.356 4.948 4.556 0.060 0.000 0.307 96 H C -2.146 173.109 175.328 -0.122 0.000 1.017 96 H CA -2.091 53.946 56.048 -0.019 0.000 1.237 96 H CB 0.533 30.243 29.762 -0.087 0.000 1.409 96 H HN 0.229 nan 8.280 nan 0.000 0.488 97 P HA 0.116 nan 4.420 nan 0.000 0.270 97 P C -0.048 176.798 177.300 -0.756 0.000 1.242 97 P CA -0.246 62.559 63.100 -0.491 0.000 0.768 97 P CB 1.113 32.653 31.700 -0.267 0.000 0.820 98 A N 3.176 125.725 122.820 -0.452 0.000 2.359 98 A HA 0.306 4.663 4.320 0.061 0.000 0.240 98 A C 1.773 179.212 177.584 -0.242 0.000 1.306 98 A CA 0.649 52.480 52.037 -0.343 0.000 0.898 98 A CB -0.686 18.221 19.000 -0.154 0.000 0.956 98 A HN 0.625 nan 8.150 nan 0.000 0.497 99 G N -0.845 107.811 108.800 -0.240 0.000 2.673 99 G HA2 0.128 4.125 3.960 0.061 0.000 0.208 99 G HA3 0.128 4.125 3.960 0.061 0.000 0.208 99 G C 1.228 176.026 174.900 -0.169 0.000 1.128 99 G CA 0.605 45.607 45.100 -0.163 0.000 0.805 99 G HN 0.394 nan 8.290 nan 0.000 0.526 100 L N 2.088 123.188 121.223 -0.206 0.000 2.089 100 L HA -0.118 4.259 4.340 0.061 0.000 0.213 100 L C 2.738 179.493 176.870 -0.193 0.000 1.079 100 L CA 2.559 57.297 54.840 -0.170 0.000 0.758 100 L CB -0.430 41.516 42.059 -0.188 0.000 0.891 100 L HN 0.428 nan 8.230 nan 0.000 0.433 101 K N -0.888 119.375 120.400 -0.228 0.000 2.519 101 K HA -0.184 4.173 4.320 0.061 0.000 0.196 101 K C 1.546 178.002 176.600 -0.241 0.000 1.041 101 K CA 1.532 57.670 56.287 -0.249 0.000 0.954 101 K CB -0.177 32.173 32.500 -0.250 0.000 0.774 101 K HN 0.395 nan 8.250 nan 0.000 0.480 102 K N 0.176 120.462 120.400 -0.190 0.000 2.367 102 K HA 0.115 4.472 4.320 0.061 0.000 0.195 102 K C -0.014 176.500 176.600 -0.144 0.000 1.060 102 K CA -0.266 55.928 56.287 -0.155 0.000 1.022 102 K CB 0.445 32.876 32.500 -0.115 0.000 0.894 102 K HN -0.105 nan 8.250 nan 0.000 0.540 103 K N 1.703 122.019 120.400 -0.140 0.000 2.336 103 K HA -0.004 4.352 4.320 0.061 0.000 0.262 103 K C 1.030 177.552 176.600 -0.130 0.000 0.992 103 K CA 0.246 56.468 56.287 -0.107 0.000 0.927 103 K CB 0.450 32.908 32.500 -0.069 0.000 0.956 103 K HN -0.245 nan 8.250 nan 0.000 0.495 104 K N 0.325 120.669 120.400 -0.094 0.000 2.103 104 K HA 0.040 4.397 4.320 0.061 0.000 0.204 104 K C -0.262 176.293 176.600 -0.074 0.000 1.052 104 K CA 0.976 57.209 56.287 -0.091 0.000 0.945 104 K CB 0.307 32.762 32.500 -0.074 0.000 0.722 104 K HN 0.514 nan 8.250 nan 0.000 0.443 105 S N -0.574 115.036 115.700 -0.150 0.000 2.536 105 S HA 0.473 4.979 4.470 0.061 0.000 0.271 105 S C -1.300 173.169 174.600 -0.219 0.000 1.134 105 S CA -0.841 57.193 58.200 -0.277 0.000 0.897 105 S CB 2.738 65.585 63.200 -0.590 0.000 1.094 105 S HN -0.101 nan 8.310 nan 0.000 0.473 106 V N 2.382 122.177 119.914 -0.199 0.000 2.709 106 V HA 0.790 4.947 4.120 0.061 0.000 0.308 106 V C -0.242 175.817 176.094 -0.059 0.000 1.062 106 V CA -0.743 61.546 62.300 -0.017 0.000 0.901 106 V CB 2.115 33.942 31.823 0.007 0.000 1.003 106 V HN 1.032 nan 8.190 nan 0.000 0.425 107 T N 0.763 115.347 114.554 0.049 0.000 2.893 107 T HA 0.811 5.197 4.350 0.061 0.000 0.291 107 T C -0.870 173.842 174.700 0.020 0.000 1.028 107 T CA -0.786 61.280 62.100 -0.057 0.000 0.995 107 T CB 1.869 70.816 68.868 0.131 0.000 1.051 107 T HN 0.340 nan 8.240 nan 0.000 0.470 108 V N 3.247 123.213 119.914 0.087 0.000 2.398 108 V HA 0.506 4.662 4.120 0.061 0.000 0.286 108 V C -0.203 175.915 176.094 0.039 0.000 1.026 108 V CA -0.827 61.423 62.300 -0.082 0.000 0.868 108 V CB 1.069 32.736 31.823 -0.260 0.000 0.982 108 V HN 0.804 nan 8.190 nan 0.000 0.443 109 L N 3.079 124.253 121.223 -0.082 0.000 2.334 109 L HA 0.551 4.928 4.340 0.061 0.000 0.273 109 L C -0.322 176.469 176.870 -0.132 0.000 1.013 109 L CA -0.619 54.163 54.840 -0.097 0.000 0.816 109 L CB 1.917 43.919 42.059 -0.095 0.000 1.278 109 L HN 0.575 nan 8.230 nan 0.000 0.431 110 D N 1.163 121.475 120.400 -0.147 0.000 2.500 110 D HA 0.185 4.862 4.640 0.061 0.000 0.219 110 D C 0.654 176.833 176.300 -0.201 0.000 1.137 110 D CA -0.347 53.558 54.000 -0.159 0.000 0.946 110 D CB 0.922 41.631 40.800 -0.152 0.000 1.022 110 D HN 0.290 nan 8.370 nan 0.000 0.518 111 V N 1.530 121.294 119.914 -0.249 0.000 3.577 111 V HA 0.334 4.491 4.120 0.061 0.000 0.294 111 V C 1.960 177.694 176.094 -0.600 0.000 1.317 111 V CA 0.470 62.553 62.300 -0.362 0.000 1.169 111 V CB 0.014 31.622 31.823 -0.359 0.000 1.011 111 V HN 0.412 nan 8.190 nan 0.000 0.426 112 G N 1.070 109.577 108.800 -0.489 0.000 2.507 112 G HA2 -0.367 3.630 3.960 0.061 0.000 0.221 112 G HA3 -0.367 3.630 3.960 0.061 0.000 0.221 112 G C 1.126 175.576 174.900 -0.751 0.000 1.119 112 G CA 1.299 46.040 45.100 -0.598 0.000 0.751 112 G HN 0.616 nan 8.290 nan 0.000 0.574 113 D N 0.711 120.795 120.400 -0.528 0.000 2.144 113 D HA 0.023 4.700 4.640 0.061 0.000 0.199 113 D C 2.675 178.717 176.300 -0.430 0.000 0.984 113 D CA 1.274 55.026 54.000 -0.414 0.000 0.834 113 D CB -0.375 40.355 40.800 -0.117 0.000 0.955 113 D HN 0.245 nan 8.370 nan 0.000 0.465 114 A N -0.576 121.903 122.820 -0.568 0.000 2.032 114 A HA -0.218 4.138 4.320 0.061 0.000 0.221 114 A C 1.753 178.982 177.584 -0.592 0.000 1.165 114 A CA 1.403 53.094 52.037 -0.576 0.000 0.645 114 A CB -1.114 17.401 19.000 -0.808 0.000 0.807 114 A HN 0.413 nan 8.150 nan 0.000 0.453 115 Y N -1.585 118.368 120.300 -0.577 0.000 2.314 115 Y HA -0.051 4.536 4.550 0.061 0.000 0.293 115 Y C 1.802 177.678 175.900 -0.040 0.000 1.129 115 Y CA 0.139 58.003 58.100 -0.392 0.000 1.201 115 Y CB -0.980 37.248 38.460 -0.385 0.000 0.999 115 Y HN 0.316 nan 8.280 nan 0.000 0.541 116 F N -0.100 119.927 119.950 0.128 0.000 2.481 116 F HA -0.197 4.367 4.527 0.062 0.000 0.297 116 F C 2.230 178.119 175.800 0.148 0.000 1.095 116 F CA 0.736 58.823 58.000 0.144 0.000 1.465 116 F CB -1.082 37.985 39.000 0.111 0.000 1.098 116 F HN -0.032 nan 8.300 nan 0.000 0.585 117 S N -0.736 115.158 115.700 0.323 0.000 2.362 117 S HA -0.018 4.489 4.470 0.061 0.000 0.221 117 S C 0.995 175.761 174.600 0.276 0.000 1.032 117 S CA 0.305 58.674 58.200 0.282 0.000 0.973 117 S CB -0.220 63.161 63.200 0.301 0.000 0.849 117 S HN -0.041 nan 8.310 nan 0.000 0.465 118 V N 5.022 125.129 119.914 0.321 0.000 2.715 118 V HA 0.199 4.356 4.120 0.061 0.000 0.299 118 V C -1.938 174.298 176.094 0.238 0.000 1.054 118 V CA -1.561 60.903 62.300 0.273 0.000 1.077 118 V CB 0.517 32.526 31.823 0.310 0.000 0.972 118 V HN 0.280 nan 8.190 nan 0.000 0.484 119 P HA 0.373 nan 4.420 nan 0.000 0.281 119 P C -0.906 176.499 177.300 0.175 0.000 1.264 119 P CA -0.571 62.635 63.100 0.176 0.000 0.824 119 P CB 1.777 33.559 31.700 0.138 0.000 1.092 120 L N 1.175 122.504 121.223 0.177 0.000 2.344 120 L HA 0.326 4.703 4.340 0.061 0.000 0.272 120 L C 0.356 177.311 176.870 0.141 0.000 1.035 120 L CA -0.814 54.129 54.840 0.173 0.000 0.807 120 L CB 1.336 43.514 42.059 0.198 0.000 1.237 120 L HN 0.382 nan 8.230 nan 0.000 0.442 121 D N 2.274 122.749 120.400 0.124 0.000 2.472 121 D HA -0.120 4.557 4.640 0.061 0.000 0.248 121 D C 0.968 177.342 176.300 0.123 0.000 1.174 121 D CA 0.336 54.400 54.000 0.108 0.000 0.883 121 D CB 1.147 41.994 40.800 0.079 0.000 1.149 121 D HN 0.553 nan 8.370 nan 0.000 0.488 122 E N 3.051 123.306 120.200 0.092 0.000 2.108 122 E HA -0.283 4.103 4.350 0.061 0.000 0.203 122 E C 0.865 177.501 176.600 0.060 0.000 1.022 122 E CA 2.148 58.590 56.400 0.070 0.000 0.823 122 E CB -0.104 29.628 29.700 0.052 0.000 0.744 122 E HN 0.617 nan 8.360 nan 0.000 0.456 123 D N -1.161 119.287 120.400 0.079 0.000 2.178 123 D HA -0.116 4.561 4.640 0.061 0.000 0.202 123 D C 1.467 177.815 176.300 0.080 0.000 0.974 123 D CA 0.789 54.829 54.000 0.066 0.000 0.841 123 D CB -0.385 40.472 40.800 0.094 0.000 0.953 123 D HN 0.265 nan 8.370 nan 0.000 0.478 124 F N 1.262 121.210 119.950 -0.004 0.000 2.558 124 F HA 0.079 4.643 4.527 0.061 0.000 0.298 124 F C 1.954 177.731 175.800 -0.039 0.000 1.119 124 F CA 0.484 58.505 58.000 0.034 0.000 1.451 124 F CB 0.150 39.098 39.000 -0.085 0.000 1.091 124 F HN -0.215 nan 8.300 nan 0.000 0.563 125 R N 0.936 121.436 120.500 0.001 0.000 2.091 125 R HA -0.218 4.159 4.340 0.061 0.000 0.238 125 R C 2.236 178.437 176.300 -0.165 0.000 1.136 125 R CA 2.008 58.086 56.100 -0.036 0.000 0.959 125 R CB -0.575 29.741 30.300 0.028 0.000 0.856 125 R HN 0.359 nan 8.270 nan 0.000 0.437 126 K N -0.211 120.021 120.400 -0.281 0.000 2.362 126 K HA -0.196 4.160 4.320 0.061 0.000 0.202 126 K C 1.021 177.366 176.600 -0.425 0.000 1.045 126 K CA 1.628 57.720 56.287 -0.325 0.000 0.936 126 K CB -0.269 32.012 32.500 -0.365 0.000 0.747 126 K HN 0.264 nan 8.250 nan 0.000 0.467 127 Y N 2.162 122.150 120.300 -0.519 0.000 2.544 127 Y HA -0.011 4.576 4.550 0.062 0.000 0.286 127 Y C 2.171 177.904 175.900 -0.279 0.000 1.141 127 Y CA 1.077 58.788 58.100 -0.647 0.000 1.299 127 Y CB 0.054 37.827 38.460 -1.146 0.000 1.030 127 Y HN 0.294 nan 8.280 nan 0.000 0.543 128 T N -2.494 112.055 114.554 -0.008 0.000 3.144 128 T HA 0.443 4.830 4.350 0.061 0.000 0.249 128 T C 0.924 175.902 174.700 0.462 0.000 1.089 128 T CA 0.039 62.344 62.100 0.342 0.000 0.989 128 T CB -0.511 68.558 68.868 0.334 0.000 0.992 128 T HN 0.178 nan 8.240 nan 0.000 0.540 129 A N 1.897 124.852 122.820 0.225 0.000 2.540 129 A HA 0.515 4.871 4.320 0.061 0.000 0.239 129 A C -0.017 177.697 177.584 0.216 0.000 1.061 129 A CA -0.349 51.758 52.037 0.117 0.000 0.758 129 A CB -0.561 18.464 19.000 0.042 0.000 0.991 129 A HN 0.753 nan 8.150 nan 0.000 0.502 130 F N -0.815 119.185 119.950 0.082 0.000 2.629 130 F HA 0.822 5.386 4.527 0.061 0.000 0.316 130 F C -0.332 175.477 175.800 0.014 0.000 1.081 130 F CA -0.824 57.193 58.000 0.028 0.000 0.954 130 F CB 1.589 40.595 39.000 0.011 0.000 1.337 130 F HN 0.319 nan 8.300 nan 0.000 0.474 131 T N 2.679 117.369 114.554 0.227 0.000 2.879 131 T HA 0.531 4.917 4.350 0.061 0.000 0.290 131 T C -0.633 174.134 174.700 0.112 0.000 0.993 131 T CA -0.380 61.769 62.100 0.081 0.000 0.975 131 T CB 1.298 70.161 68.868 -0.009 0.000 0.981 131 T HN 0.560 nan 8.240 nan 0.000 0.439 132 I N 6.596 127.238 120.570 0.120 0.000 2.325 132 I HA 0.294 4.500 4.170 0.061 0.000 0.291 132 I C -1.637 174.483 176.117 0.006 0.000 1.019 132 I CA -2.049 59.300 61.300 0.081 0.000 1.302 132 I CB 1.315 39.400 38.000 0.142 0.000 1.401 132 I HN 0.369 nan 8.210 nan 0.000 0.485 133 P HA 0.179 nan 4.420 nan 0.000 0.277 133 P C -0.952 176.330 177.300 -0.030 0.000 1.271 133 P CA -0.429 62.650 63.100 -0.034 0.000 0.795 133 P CB 1.215 32.887 31.700 -0.046 0.000 1.101 134 S N -0.604 115.079 115.700 -0.029 0.000 2.538 134 S HA 0.496 5.003 4.470 0.061 0.000 0.288 134 S C 0.154 174.739 174.600 -0.026 0.000 1.108 134 S CA -0.970 57.213 58.200 -0.028 0.000 0.971 134 S CB 0.420 63.604 63.200 -0.026 0.000 1.041 134 S HN 0.283 nan 8.310 nan 0.000 0.483 135 I N 2.847 123.401 120.570 -0.027 0.000 2.775 135 I HA 0.023 4.230 4.170 0.061 0.000 0.290 135 I C 1.235 177.341 176.117 -0.019 0.000 1.203 135 I CA 0.284 61.570 61.300 -0.023 0.000 1.433 135 I CB -0.508 37.477 38.000 -0.024 0.000 1.354 135 I HN 1.037 nan 8.210 nan 0.000 0.579 136 N N 5.174 123.864 118.700 -0.015 0.000 2.693 136 N HA -0.283 4.494 4.740 0.061 0.000 0.249 136 N C 0.096 175.597 175.510 -0.015 0.000 1.119 136 N CA 1.171 54.213 53.050 -0.013 0.000 0.717 136 N CB -1.050 37.429 38.487 -0.012 0.000 1.071 136 N HN 0.865 nan 8.380 nan 0.000 0.555 137 N N -0.905 117.785 118.700 -0.017 0.000 2.710 137 N HA -0.280 4.496 4.740 0.061 0.000 0.249 137 N C 0.756 176.254 175.510 -0.019 0.000 1.059 137 N CA 1.186 54.225 53.050 -0.018 0.000 0.720 137 N CB -0.997 37.480 38.487 -0.016 0.000 0.983 137 N HN 0.810 nan 8.380 nan 0.000 0.544 138 E N 0.247 120.436 120.200 -0.020 0.000 2.160 138 E HA -0.148 4.239 4.350 0.061 0.000 0.195 138 E C 0.656 177.242 176.600 -0.023 0.000 0.991 138 E CA 1.410 57.798 56.400 -0.020 0.000 0.810 138 E CB 0.257 29.945 29.700 -0.019 0.000 0.742 138 E HN 0.425 nan 8.360 nan 0.000 0.466 139 T N -0.154 114.384 114.554 -0.026 0.000 2.894 139 T HA 0.380 4.767 4.350 0.061 0.000 0.309 139 T C -2.843 171.836 174.700 -0.035 0.000 1.208 139 T CA -1.962 60.119 62.100 -0.031 0.000 1.016 139 T CB 1.885 70.733 68.868 -0.033 0.000 1.192 139 T HN -0.111 nan 8.240 nan 0.000 0.491 140 P HA 0.323 nan 4.420 nan 0.000 0.272 140 P C 0.363 177.630 177.300 -0.056 0.000 1.240 140 P CA -0.130 62.941 63.100 -0.047 0.000 0.791 140 P CB 0.055 31.724 31.700 -0.052 0.000 0.978 141 G N 1.229 109.994 108.800 -0.058 0.000 2.340 141 G HA2 0.284 4.281 3.960 0.061 0.000 0.245 141 G HA3 0.284 4.281 3.960 0.061 0.000 0.245 141 G C 0.087 174.926 174.900 -0.103 0.000 1.294 141 G CA -0.536 44.526 45.100 -0.065 0.000 0.896 141 G HN 0.404 nan 8.290 nan 0.000 0.522 142 I N 2.728 123.230 120.570 -0.113 0.000 2.371 142 I HA 0.256 4.462 4.170 0.061 0.000 0.290 142 I C 0.602 176.530 176.117 -0.314 0.000 1.028 142 I CA -0.351 60.816 61.300 -0.222 0.000 1.345 142 I CB 0.815 38.699 38.000 -0.194 0.000 1.407 142 I HN 0.329 nan 8.210 nan 0.000 0.501 143 R N 6.043 126.283 120.500 -0.434 0.000 2.532 143 R HA 0.633 5.010 4.340 0.061 0.000 0.295 143 R C -1.498 174.365 176.300 -0.729 0.000 0.968 143 R CA -0.873 54.961 56.100 -0.445 0.000 0.916 143 R CB 1.699 31.829 30.300 -0.284 0.000 1.124 143 R HN 0.411 nan 8.270 nan 0.000 0.463 144 Y N 0.187 120.127 120.300 -0.600 0.000 2.581 144 Y HA 0.243 4.830 4.550 0.061 0.000 0.345 144 Y C -0.111 175.341 175.900 -0.748 0.000 1.036 144 Y CA -0.916 56.760 58.100 -0.707 0.000 1.042 144 Y CB 2.447 40.316 38.460 -0.985 0.000 1.289 144 Y HN 0.533 nan 8.280 nan 0.000 0.471 145 Q N 0.217 119.869 119.800 -0.247 0.000 2.456 145 Q HA 0.553 4.930 4.340 0.061 0.000 0.283 145 Q C -2.062 173.922 176.000 -0.027 0.000 1.084 145 Q CA -1.076 54.666 55.803 -0.101 0.000 0.801 145 Q CB 2.211 30.923 28.738 -0.044 0.000 1.434 145 Q HN 0.655 nan 8.270 nan 0.000 0.419 146 Y N 1.071 121.459 120.300 0.148 0.000 2.304 146 Y HA 0.214 4.801 4.550 0.062 0.000 0.327 146 Y C 0.616 176.585 175.900 0.115 0.000 1.209 146 Y CA 0.416 58.621 58.100 0.175 0.000 1.299 146 Y CB 1.300 39.910 38.460 0.250 0.000 1.249 146 Y HN 0.804 nan 8.280 nan 0.000 0.519 147 N N 0.152 119.027 118.700 0.292 0.000 2.171 147 N HA 0.163 4.940 4.740 0.061 0.000 0.212 147 N C -1.074 174.576 175.510 0.232 0.000 1.184 147 N CA -0.043 53.125 53.050 0.198 0.000 0.888 147 N CB 1.065 39.624 38.487 0.120 0.000 1.038 147 N HN 0.333 nan 8.380 nan 0.000 0.517 148 V N -2.161 117.952 119.914 0.331 0.000 3.158 148 V HA 0.513 4.670 4.120 0.061 0.000 0.311 148 V C -0.263 176.024 176.094 0.321 0.000 1.181 148 V CA -1.186 61.306 62.300 0.320 0.000 1.054 148 V CB 1.385 33.421 31.823 0.355 0.000 1.085 148 V HN -0.118 nan 8.190 nan 0.000 0.446 149 L N 3.449 124.842 121.223 0.283 0.000 2.513 149 L HA 0.312 4.689 4.340 0.061 0.000 0.272 149 L C -1.886 175.075 176.870 0.151 0.000 1.187 149 L CA -0.925 54.036 54.840 0.201 0.000 0.895 149 L CB 0.574 42.718 42.059 0.141 0.000 1.147 149 L HN 0.620 nan 8.230 nan 0.000 0.483 150 P HA 0.226 nan 4.420 nan 0.000 0.287 150 P C -1.415 175.814 177.300 -0.118 0.000 1.296 150 P CA -0.775 62.157 63.100 -0.281 0.000 0.811 150 P CB 1.078 32.276 31.700 -0.837 0.000 1.211 151 Q N -1.319 118.462 119.800 -0.031 0.000 2.245 151 Q HA 0.525 4.902 4.340 0.061 0.000 0.256 151 Q C 0.661 176.763 176.000 0.171 0.000 0.942 151 Q CA -0.194 55.625 55.803 0.026 0.000 0.896 151 Q CB 1.322 30.054 28.738 -0.011 0.000 1.272 151 Q HN 0.863 nan 8.270 nan 0.000 0.442 152 G N 1.145 110.042 108.800 0.161 0.000 2.313 152 G HA2 -0.243 3.754 3.960 0.061 0.000 0.215 152 G HA3 -0.243 3.754 3.960 0.061 0.000 0.215 152 G C -0.652 174.428 174.900 0.300 0.000 1.023 152 G CA -0.254 45.031 45.100 0.308 0.000 0.626 152 G HN 0.622 nan 8.290 nan 0.000 0.503 153 W N 3.061 124.276 121.300 -0.140 0.000 2.238 153 W HA 0.700 5.396 4.660 0.061 0.000 0.321 153 W C 1.110 177.431 176.519 -0.331 0.000 1.293 153 W CA -0.356 56.791 57.345 -0.330 0.000 1.204 153 W CB 0.776 29.881 29.460 -0.591 0.000 1.167 153 W HN 0.095 nan 8.180 nan 0.000 0.553 154 K N 3.071 123.071 120.400 -0.667 0.000 2.439 154 K HA -0.011 4.346 4.320 0.061 0.000 0.197 154 K C 2.034 177.906 176.600 -1.214 0.000 1.041 154 K CA 1.050 56.698 56.287 -1.066 0.000 0.970 154 K CB -0.078 31.390 32.500 -1.721 0.000 0.773 154 K HN 0.758 nan 8.250 nan 0.000 0.479 155 G N 0.299 107.836 108.800 -2.106 0.000 2.394 155 G HA2 -0.208 3.789 3.960 0.061 0.000 0.214 155 G HA3 -0.208 3.789 3.960 0.061 0.000 0.214 155 G C 1.435 175.657 174.900 -1.129 0.000 1.176 155 G CA 0.571 44.513 45.100 -1.929 0.000 0.786 155 G HN 0.174 nan 8.290 nan 0.000 0.533 156 S N 1.686 116.768 115.700 -1.030 0.000 2.381 156 S HA -0.136 4.370 4.470 0.061 0.000 0.230 156 S C 0.154 174.273 174.600 -0.801 0.000 1.052 156 S CA 1.858 59.637 58.200 -0.702 0.000 1.068 156 S CB -0.919 61.833 63.200 -0.747 0.000 0.918 156 S HN 0.484 nan 8.310 nan 0.000 0.448 157 P HA 0.218 nan 4.420 nan 0.000 0.245 157 P C 0.603 177.768 177.300 -0.226 0.000 1.212 157 P CA 0.825 63.665 63.100 -0.434 0.000 0.774 157 P CB 0.085 31.593 31.700 -0.320 0.000 0.999 158 A N -0.406 122.238 122.820 -0.293 0.000 2.014 158 A HA 0.155 4.512 4.320 0.061 0.000 0.210 158 A C 2.140 179.641 177.584 -0.137 0.000 1.188 158 A CA 0.251 52.166 52.037 -0.204 0.000 0.731 158 A CB -0.860 17.993 19.000 -0.244 0.000 0.858 158 A HN 0.064 nan 8.150 nan 0.000 0.464 159 I N -1.896 118.614 120.570 -0.099 0.000 2.406 159 I HA -0.107 4.099 4.170 0.061 0.000 0.249 159 I C 2.167 178.310 176.117 0.042 0.000 1.122 159 I CA 1.060 62.362 61.300 0.005 0.000 1.431 159 I CB -0.183 37.856 38.000 0.066 0.000 1.087 159 I HN 0.378 nan 8.210 nan 0.000 0.424 160 F N 1.558 121.470 119.950 -0.063 0.000 2.407 160 F HA -0.189 4.375 4.527 0.061 0.000 0.299 160 F C 2.565 178.362 175.800 -0.005 0.000 1.097 160 F CA 1.235 59.245 58.000 0.017 0.000 1.422 160 F CB -0.284 38.805 39.000 0.148 0.000 1.067 160 F HN 0.054 nan 8.300 nan 0.000 0.539 161 Q N -0.267 119.562 119.800 0.048 0.000 2.268 161 Q HA -0.273 4.103 4.340 0.061 0.000 0.213 161 Q C 2.170 178.104 176.000 -0.109 0.000 0.995 161 Q CA 2.136 57.928 55.803 -0.020 0.000 0.901 161 Q CB -0.230 28.487 28.738 -0.035 0.000 0.921 161 Q HN 0.391 nan 8.270 nan 0.000 0.421 162 S N -0.309 115.300 115.700 -0.151 0.000 2.383 162 S HA -0.087 4.420 4.470 0.061 0.000 0.227 162 S C 1.980 176.442 174.600 -0.228 0.000 1.026 162 S CA 1.171 59.279 58.200 -0.153 0.000 0.981 162 S CB -0.031 63.095 63.200 -0.124 0.000 0.818 162 S HN 0.398 nan 8.310 nan 0.000 0.472 163 S N 1.443 116.891 115.700 -0.419 0.000 2.357 163 S HA -0.011 4.496 4.470 0.061 0.000 0.221 163 S C 1.880 176.205 174.600 -0.458 0.000 1.031 163 S CA 1.042 58.914 58.200 -0.546 0.000 0.982 163 S CB -0.357 62.188 63.200 -1.092 0.000 0.853 163 S HN 0.324 nan 8.310 nan 0.000 0.458 164 M N 2.451 121.810 119.600 -0.402 0.000 2.080 164 M HA -0.121 4.396 4.480 0.061 0.000 0.260 164 M C 1.995 178.211 176.300 -0.140 0.000 1.068 164 M CA 1.655 56.891 55.300 -0.107 0.000 1.109 164 M CB -1.554 31.118 32.600 0.119 0.000 1.342 164 M HN 0.260 nan 8.290 nan 0.000 0.405 165 T N 0.839 115.321 114.554 -0.119 0.000 2.536 165 T HA -0.273 4.114 4.350 0.061 0.000 0.263 165 T C 1.705 176.337 174.700 -0.112 0.000 1.115 165 T CA 2.359 64.406 62.100 -0.089 0.000 1.180 165 T CB -0.423 68.404 68.868 -0.069 0.000 0.864 165 T HN 0.420 nan 8.240 nan 0.000 0.419 166 K N 0.454 120.775 120.400 -0.132 0.000 1.988 166 K HA -0.138 4.219 4.320 0.061 0.000 0.221 166 K C 2.189 178.650 176.600 -0.232 0.000 1.053 166 K CA 1.731 57.943 56.287 -0.125 0.000 0.959 166 K CB -0.681 31.757 32.500 -0.104 0.000 0.728 166 K HN 0.128 nan 8.250 nan 0.000 0.447 167 I N 1.165 121.451 120.570 -0.473 0.000 2.182 167 I HA -0.297 3.909 4.170 0.061 0.000 0.248 167 I C 1.961 177.816 176.117 -0.436 0.000 1.073 167 I CA 1.628 62.426 61.300 -0.838 0.000 1.335 167 I CB -0.307 37.221 38.000 -0.788 0.000 1.031 167 I HN 0.197 nan 8.210 nan 0.000 0.420 168 L N -0.769 120.286 121.223 -0.281 0.000 2.592 168 L HA 0.004 4.380 4.340 0.061 0.000 0.227 168 L C 2.126 178.954 176.870 -0.070 0.000 1.127 168 L CA 0.031 54.742 54.840 -0.216 0.000 0.884 168 L CB -0.252 41.701 42.059 -0.178 0.000 1.065 168 L HN 0.152 nan 8.230 nan 0.000 0.457 169 E N 1.553 121.737 120.200 -0.028 0.000 2.058 169 E HA -0.173 4.214 4.350 0.061 0.000 0.194 169 E C -0.609 176.043 176.600 0.087 0.000 0.997 169 E CA 1.655 58.075 56.400 0.033 0.000 0.801 169 E CB -0.869 28.853 29.700 0.037 0.000 0.746 169 E HN 0.283 nan 8.360 nan 0.000 0.450 170 P HA -0.105 nan 4.420 nan 0.000 0.225 170 P C 1.243 178.663 177.300 0.201 0.000 1.156 170 P CA 0.853 64.082 63.100 0.215 0.000 0.787 170 P CB -0.098 31.816 31.700 0.357 0.000 0.802 171 F N 1.396 121.326 119.950 -0.034 0.000 2.416 171 F HA 0.127 4.690 4.527 0.061 0.000 0.296 171 F C 2.086 177.854 175.800 -0.053 0.000 1.099 171 F CA 1.007 58.948 58.000 -0.099 0.000 1.427 171 F CB -0.079 38.691 39.000 -0.384 0.000 1.079 171 F HN -0.277 nan 8.300 nan 0.000 0.536 172 K N 0.011 120.504 120.400 0.154 0.000 2.296 172 K HA -0.069 4.288 4.320 0.061 0.000 0.200 172 K C 1.851 178.463 176.600 0.019 0.000 1.048 172 K CA 0.750 57.092 56.287 0.093 0.000 0.966 172 K CB 0.099 32.646 32.500 0.078 0.000 0.754 172 K HN 0.262 nan 8.250 nan 0.000 0.466 173 K N 0.810 121.218 120.400 0.014 0.000 2.021 173 K HA -0.139 4.217 4.320 0.061 0.000 0.205 173 K C 2.191 178.769 176.600 -0.037 0.000 1.047 173 K CA 1.031 57.318 56.287 0.000 0.000 0.943 173 K CB 0.001 32.515 32.500 0.023 0.000 0.725 173 K HN 0.079 nan 8.250 nan 0.000 0.439 174 Q N 1.116 120.872 119.800 -0.074 0.000 2.224 174 Q HA -0.098 4.279 4.340 0.061 0.000 0.203 174 Q C -0.438 175.468 176.000 -0.157 0.000 0.970 174 Q CA 1.222 56.957 55.803 -0.114 0.000 0.865 174 Q CB 0.183 28.834 28.738 -0.145 0.000 0.922 174 Q HN 0.277 nan 8.270 nan 0.000 0.445 175 N N 1.045 119.623 118.700 -0.203 0.000 2.791 175 N HA 0.171 4.948 4.740 0.061 0.000 0.265 175 N C -2.430 173.040 175.510 -0.067 0.000 1.580 175 N CA -0.994 51.956 53.050 -0.168 0.000 0.809 175 N CB 1.596 39.905 38.487 -0.297 0.000 1.178 175 N HN 0.148 nan 8.380 nan 0.000 0.499 176 P HA -0.027 nan 4.420 nan 0.000 0.247 176 P C -0.502 176.799 177.300 0.002 0.000 1.225 176 P CA 0.866 63.961 63.100 -0.008 0.000 0.768 176 P CB 0.415 32.109 31.700 -0.010 0.000 1.020 177 D N -0.265 120.137 120.400 0.003 0.000 2.538 177 D HA 0.274 4.951 4.640 0.061 0.000 0.231 177 D C 0.652 176.971 176.300 0.032 0.000 1.229 177 D CA -0.028 53.980 54.000 0.012 0.000 0.828 177 D CB 0.912 41.715 40.800 0.005 0.000 1.035 177 D HN 0.280 nan 8.370 nan 0.000 0.495 178 I N 0.308 120.910 120.570 0.054 0.000 2.797 178 I HA 0.355 4.562 4.170 0.061 0.000 0.307 178 I C -0.262 175.902 176.117 0.079 0.000 1.033 178 I CA -1.119 60.233 61.300 0.087 0.000 1.071 178 I CB 2.687 40.774 38.000 0.146 0.000 1.255 178 I HN -0.386 nan 8.210 nan 0.000 0.445 179 V N 4.991 124.952 119.914 0.078 0.000 2.540 179 V HA 0.484 4.641 4.120 0.061 0.000 0.302 179 V C -0.343 175.812 176.094 0.102 0.000 1.035 179 V CA -0.617 61.723 62.300 0.066 0.000 0.873 179 V CB 1.952 33.789 31.823 0.024 0.000 0.992 179 V HN 0.350 nan 8.190 nan 0.000 0.428 180 I N 4.429 125.065 120.570 0.109 0.000 2.474 180 I HA 0.508 4.715 4.170 0.061 0.000 0.294 180 I C -1.053 175.195 176.117 0.219 0.000 1.005 180 I CA -0.676 60.702 61.300 0.130 0.000 1.113 180 I CB 1.707 39.742 38.000 0.059 0.000 1.289 180 I HN 0.697 nan 8.210 nan 0.000 0.436 181 Y N 4.902 125.274 120.300 0.119 0.000 2.421 181 Y HA 0.348 4.936 4.550 0.063 0.000 0.339 181 Y C -0.477 175.559 175.900 0.227 0.000 0.996 181 Y CA -0.910 57.273 58.100 0.138 0.000 1.046 181 Y CB 1.824 40.342 38.460 0.097 0.000 1.226 181 Y HN 0.622 nan 8.280 nan 0.000 0.445 182 Q N 5.904 125.456 119.800 -0.414 0.000 2.431 182 Q HA 0.277 4.654 4.340 0.061 0.000 0.249 182 Q C -2.150 173.612 176.000 -0.397 0.000 1.025 182 Q CA -0.695 54.960 55.803 -0.247 0.000 0.835 182 Q CB 0.645 29.311 28.738 -0.120 0.000 1.207 182 Q HN 0.721 nan 8.270 nan 0.000 0.490 183 Y N 6.461 126.641 120.300 -0.201 0.000 2.478 183 Y HA 0.294 4.881 4.550 0.062 0.000 0.329 183 Y C 0.256 176.206 175.900 0.084 0.000 0.967 183 Y CA -0.247 57.786 58.100 -0.111 0.000 1.255 183 Y CB 0.230 38.721 38.460 0.053 0.000 1.103 183 Y HN 0.982 nan 8.280 nan 0.000 0.497 184 M N 1.282 120.659 119.600 -0.372 0.000 7.319 184 M HA -0.462 4.055 4.480 0.061 0.000 0.311 184 M C 0.578 176.928 176.300 0.085 0.000 0.480 184 M CA 2.135 57.301 55.300 -0.224 0.000 1.311 184 M CB -0.751 31.706 32.600 -0.238 0.000 0.421 184 M HN 0.567 nan 8.290 nan 0.000 0.799 185 D N 0.836 121.326 120.400 0.149 0.000 2.350 185 D HA 0.032 4.708 4.640 0.061 0.000 0.216 185 D C -0.078 176.250 176.300 0.048 0.000 0.968 185 D CA 0.995 55.071 54.000 0.127 0.000 0.894 185 D CB -0.157 40.691 40.800 0.079 0.000 0.909 185 D HN 0.269 nan 8.370 nan 0.000 0.520 186 D N -0.248 120.250 120.400 0.163 0.000 2.332 186 D HA 0.445 5.121 4.640 0.061 0.000 0.252 186 D C -0.279 176.088 176.300 0.112 0.000 1.050 186 D CA -0.479 53.596 54.000 0.124 0.000 0.970 186 D CB 1.657 42.629 40.800 0.286 0.000 1.141 186 D HN -0.095 nan 8.370 nan 0.000 0.485 187 L N 1.883 123.107 121.223 0.002 0.000 2.555 187 L HA 0.251 4.628 4.340 0.061 0.000 0.264 187 L C -1.637 175.263 176.870 0.049 0.000 0.972 187 L CA -0.705 54.175 54.840 0.067 0.000 0.876 187 L CB 0.578 42.613 42.059 -0.040 0.000 1.216 187 L HN 0.256 nan 8.230 nan 0.000 0.415 188 Y N 3.955 124.334 120.300 0.133 0.000 2.327 188 Y HA 0.468 5.056 4.550 0.063 0.000 0.336 188 Y C 0.135 176.103 175.900 0.112 0.000 1.035 188 Y CA -0.668 57.525 58.100 0.154 0.000 1.165 188 Y CB 1.510 40.109 38.460 0.231 0.000 1.181 188 Y HN 0.158 nan 8.280 nan 0.000 0.494 189 V N 3.375 123.401 119.914 0.188 0.000 2.378 189 V HA 0.761 4.918 4.120 0.061 0.000 0.288 189 V C 0.250 176.445 176.094 0.169 0.000 1.016 189 V CA -0.788 61.590 62.300 0.130 0.000 0.840 189 V CB 1.498 33.343 31.823 0.037 0.000 0.994 189 V HN 0.929 nan 8.190 nan 0.000 0.431 190 G N 2.892 111.785 108.800 0.154 0.000 2.495 190 G HA2 0.770 4.767 3.960 0.061 0.000 0.318 190 G HA3 0.770 4.767 3.960 0.061 0.000 0.318 190 G C -0.569 174.416 174.900 0.142 0.000 1.257 190 G CA -0.185 45.001 45.100 0.144 0.000 0.962 190 G HN 0.935 nan 8.290 nan 0.000 0.483 191 S N -0.088 115.715 115.700 0.172 0.000 2.638 191 S HA 0.565 5.071 4.470 0.061 0.000 0.274 191 S C -0.875 173.768 174.600 0.072 0.000 1.157 191 S CA -0.736 57.553 58.200 0.149 0.000 0.826 191 S CB 2.322 65.678 63.200 0.260 0.000 1.139 191 S HN 0.250 nan 8.310 nan 0.000 0.474 192 D N 0.175 120.606 120.400 0.051 0.000 2.398 192 D HA 0.354 5.031 4.640 0.061 0.000 0.210 192 D C 0.131 176.444 176.300 0.022 0.000 1.094 192 D CA -0.091 53.914 54.000 0.009 0.000 0.839 192 D CB -0.067 40.730 40.800 -0.005 0.000 0.963 192 D HN 0.265 nan 8.370 nan 0.000 0.506 193 L N 1.024 122.289 121.223 0.070 0.000 2.473 193 L HA 0.101 4.478 4.340 0.061 0.000 0.265 193 L C 0.906 177.811 176.870 0.058 0.000 1.243 193 L CA 0.094 54.979 54.840 0.076 0.000 0.822 193 L CB 0.177 42.310 42.059 0.124 0.000 1.101 193 L HN -0.144 nan 8.230 nan 0.000 0.507 194 E N 0.353 120.585 120.200 0.053 0.000 2.373 194 E HA 0.007 4.394 4.350 0.061 0.000 0.267 194 E C 0.931 177.575 176.600 0.074 0.000 1.032 194 E CA 0.034 56.456 56.400 0.036 0.000 0.889 194 E CB 0.441 30.158 29.700 0.028 0.000 0.984 194 E HN 0.391 nan 8.360 nan 0.000 0.425 195 I N 4.100 124.696 120.570 0.042 0.000 2.181 195 I HA -0.222 3.985 4.170 0.061 0.000 0.247 195 I C 1.625 177.819 176.117 0.128 0.000 1.081 195 I CA 2.602 63.947 61.300 0.074 0.000 1.340 195 I CB -0.648 37.373 38.000 0.035 0.000 1.036 195 I HN 0.668 nan 8.210 nan 0.000 0.417 196 G N -1.017 107.836 108.800 0.088 0.000 2.421 196 G HA2 -0.193 3.804 3.960 0.061 0.000 0.217 196 G HA3 -0.193 3.804 3.960 0.061 0.000 0.217 196 G C 1.491 176.444 174.900 0.089 0.000 1.143 196 G CA 0.635 45.784 45.100 0.082 0.000 0.784 196 G HN 0.573 nan 8.290 nan 0.000 0.541 197 Q N -0.880 118.976 119.800 0.093 0.000 2.302 197 Q HA 0.038 4.415 4.340 0.061 0.000 0.202 197 Q C 2.104 178.165 176.000 0.102 0.000 0.936 197 Q CA 0.716 56.567 55.803 0.079 0.000 0.886 197 Q CB -0.075 28.700 28.738 0.061 0.000 0.986 197 Q HN 0.723 nan 8.270 nan 0.000 0.487 198 H N 1.788 120.887 119.070 0.047 0.000 2.290 198 H HA -0.045 4.548 4.556 0.061 0.000 0.298 198 H C 1.994 177.365 175.328 0.071 0.000 1.087 198 H CA 1.732 57.814 56.048 0.058 0.000 1.291 198 H CB 0.213 30.006 29.762 0.052 0.000 1.369 198 H HN -0.026 nan 8.280 nan 0.000 0.492 199 R N -0.469 120.111 120.500 0.135 0.000 2.159 199 R HA -0.127 4.250 4.340 0.061 0.000 0.237 199 R C 2.389 178.705 176.300 0.025 0.000 1.131 199 R CA 1.689 57.839 56.100 0.083 0.000 0.982 199 R CB -0.424 29.956 30.300 0.134 0.000 0.868 199 R HN 0.676 nan 8.270 nan 0.000 0.453 200 T N -1.283 113.290 114.554 0.032 0.000 2.894 200 T HA 0.003 4.390 4.350 0.061 0.000 0.258 200 T C 1.816 176.541 174.700 0.042 0.000 1.043 200 T CA 0.395 62.517 62.100 0.037 0.000 1.141 200 T CB 0.078 68.971 68.868 0.042 0.000 0.873 200 T HN -0.062 nan 8.240 nan 0.000 0.449 201 K N 0.965 121.379 120.400 0.022 0.000 2.147 201 K HA 0.047 4.404 4.320 0.061 0.000 0.205 201 K C 2.197 178.867 176.600 0.117 0.000 1.049 201 K CA 0.706 57.045 56.287 0.085 0.000 0.936 201 K CB -0.442 32.087 32.500 0.048 0.000 0.722 201 K HN 0.414 nan 8.250 nan 0.000 0.446 202 I N 1.063 121.610 120.570 -0.039 0.000 2.315 202 I HA -0.170 4.036 4.170 0.061 0.000 0.248 202 I C 2.154 178.272 176.117 0.002 0.000 1.117 202 I CA 1.076 62.342 61.300 -0.056 0.000 1.404 202 I CB -0.786 37.161 38.000 -0.088 0.000 1.071 202 I HN 0.162 nan 8.210 nan 0.000 0.419 203 E N 1.067 121.286 120.200 0.031 0.000 2.274 203 E HA -0.147 4.240 4.350 0.061 0.000 0.194 203 E C 1.854 178.506 176.600 0.087 0.000 0.996 203 E CA 0.665 57.093 56.400 0.046 0.000 0.840 203 E CB 0.219 29.944 29.700 0.042 0.000 0.772 203 E HN 0.553 nan 8.360 nan 0.000 0.491 204 E N -0.013 120.275 120.200 0.147 0.000 2.299 204 E HA -0.016 4.371 4.350 0.061 0.000 0.193 204 E C 2.105 178.910 176.600 0.341 0.000 0.998 204 E CA 0.024 56.561 56.400 0.227 0.000 0.851 204 E CB 0.238 30.081 29.700 0.239 0.000 0.795 204 E HN 0.177 nan 8.360 nan 0.000 0.492 205 L N 0.757 122.116 121.223 0.227 0.000 2.162 205 L HA -0.044 4.332 4.340 0.061 0.000 0.205 205 L C 2.312 179.148 176.870 -0.056 0.000 1.086 205 L CA 0.823 55.580 54.840 -0.138 0.000 0.778 205 L CB 0.076 41.769 42.059 -0.610 0.000 0.928 205 L HN -0.001 nan 8.230 nan 0.000 0.446 206 R N -0.569 119.923 120.500 -0.013 0.000 2.081 206 R HA -0.194 4.183 4.340 0.061 0.000 0.235 206 R C 2.224 178.561 176.300 0.061 0.000 1.131 206 R CA 1.651 57.750 56.100 -0.003 0.000 0.960 206 R CB -0.292 30.003 30.300 -0.008 0.000 0.856 206 R HN 0.498 nan 8.270 nan 0.000 0.436 207 Q N -0.699 119.161 119.800 0.100 0.000 2.084 207 Q HA -0.206 4.171 4.340 0.061 0.000 0.202 207 Q C 1.920 178.030 176.000 0.183 0.000 0.978 207 Q CA 1.617 57.490 55.803 0.117 0.000 0.844 207 Q CB -0.202 28.601 28.738 0.108 0.000 0.898 207 Q HN 0.524 nan 8.270 nan 0.000 0.426 208 H N 0.154 119.309 119.070 0.142 0.000 2.426 208 H HA -0.118 4.474 4.556 0.062 0.000 0.298 208 H C 1.665 177.153 175.328 0.266 0.000 1.107 208 H CA 1.245 57.427 56.048 0.223 0.000 1.298 208 H CB 0.152 30.039 29.762 0.209 0.000 1.377 208 H HN 0.141 nan 8.280 nan 0.000 0.519 209 L N -0.710 120.691 121.223 0.296 0.000 2.270 209 L HA -0.081 4.296 4.340 0.061 0.000 0.210 209 L C 1.775 178.804 176.870 0.264 0.000 1.104 209 L CA -0.017 54.948 54.840 0.208 0.000 0.804 209 L CB -0.001 42.076 42.059 0.030 0.000 0.937 209 L HN 0.258 nan 8.230 nan 0.000 0.450 210 L N -0.345 120.998 121.223 0.201 0.000 2.141 210 L HA -0.110 4.267 4.340 0.061 0.000 0.209 210 L C 2.487 179.453 176.870 0.160 0.000 1.094 210 L CA 1.489 56.415 54.840 0.143 0.000 0.763 210 L CB -0.649 41.462 42.059 0.086 0.000 0.908 210 L HN 0.104 nan 8.230 nan 0.000 0.437 211 R N -1.772 118.847 120.500 0.199 0.000 2.377 211 R HA -0.188 4.189 4.340 0.061 0.000 0.207 211 R C 0.754 176.935 176.300 -0.197 0.000 1.075 211 R CA 1.011 57.099 56.100 -0.020 0.000 1.035 211 R CB -0.134 30.085 30.300 -0.134 0.000 0.857 211 R HN 0.421 nan 8.270 nan 0.000 0.475 212 W N -1.399 119.927 121.300 0.044 0.000 2.555 212 W HA 0.336 5.033 4.660 0.062 0.000 0.324 212 W C 0.581 177.136 176.519 0.059 0.000 0.973 212 W CA 0.188 57.569 57.345 0.061 0.000 1.481 212 W CB 0.476 29.992 29.460 0.093 0.000 1.064 212 W HN 0.025 nan 8.180 nan 0.000 0.543 213 G N 1.928 110.871 108.800 0.238 0.000 2.600 213 G HA2 -0.164 3.833 3.960 0.061 0.000 0.251 213 G HA3 -0.164 3.833 3.960 0.061 0.000 0.251 213 G C -0.824 174.148 174.900 0.120 0.000 1.142 213 G CA -0.543 44.646 45.100 0.149 0.000 0.994 213 G HN 0.151 nan 8.290 nan 0.000 0.511 214 L N 0.850 122.127 121.223 0.090 0.000 2.427 214 L HA 0.404 4.781 4.340 0.061 0.000 0.264 214 L C 0.457 177.320 176.870 -0.011 0.000 0.989 214 L CA -0.878 53.970 54.840 0.013 0.000 0.865 214 L CB 1.660 43.702 42.059 -0.028 0.000 1.209 214 L HN 0.138 nan 8.230 nan 0.000 0.430 215 T N 1.284 115.831 114.554 -0.013 0.000 2.751 215 T HA 0.056 4.443 4.350 0.061 0.000 0.279 215 T C 0.696 175.362 174.700 -0.057 0.000 0.941 215 T CA 0.469 62.558 62.100 -0.019 0.000 1.192 215 T CB -0.111 68.758 68.868 0.001 0.000 0.883 215 T HN 0.462 nan 8.240 nan 0.000 0.534 216 T N 6.635 121.154 114.554 -0.058 0.000 3.400 216 T HA 0.284 4.671 4.350 0.061 0.000 0.362 216 T C -1.653 172.996 174.700 -0.084 0.000 1.823 216 T CA -1.158 60.891 62.100 -0.085 0.000 1.374 216 T CB 0.151 68.969 68.868 -0.084 0.000 1.130 216 T HN 0.393 nan 8.240 nan 0.000 0.744 232 Y N 1.927 122.242 120.300 0.025 0.000 2.498 232 Y HA 0.450 5.037 4.550 0.062 0.000 0.259 232 Y C 0.555 176.448 175.900 -0.013 0.000 1.086 232 Y CA -0.022 58.079 58.100 0.003 0.000 1.287 232 Y CB 0.458 38.910 38.460 -0.012 0.000 1.146 232 Y HN 0.007 nan 8.280 nan 0.000 0.523 233 E N 1.767 121.701 120.200 -0.443 0.000 2.383 233 E HA 0.195 4.582 4.350 0.061 0.000 0.264 233 E C -1.027 175.193 176.600 -0.633 0.000 1.050 233 E CA -0.167 55.887 56.400 -0.578 0.000 0.896 233 E CB 1.790 31.336 29.700 -0.258 0.000 0.982 233 E HN 0.226 nan 8.360 nan 0.000 0.424 234 L N 1.821 122.643 121.223 -0.670 0.000 2.332 234 L HA 0.283 4.660 4.340 0.061 0.000 0.269 234 L C 0.037 176.367 176.870 -0.900 0.000 1.016 234 L CA -0.390 54.155 54.840 -0.493 0.000 0.809 234 L CB 0.901 42.891 42.059 -0.115 0.000 1.280 234 L HN 0.434 nan 8.230 nan 0.000 0.447 235 H N 0.846 119.798 119.070 -0.196 0.000 2.643 235 H HA 0.194 4.786 4.556 0.061 0.000 0.229 235 H C -2.133 172.681 175.328 -0.857 0.000 1.410 235 H CA -1.352 54.468 56.048 -0.380 0.000 1.458 235 H CB 0.782 30.425 29.762 -0.197 0.000 1.792 235 H HN 0.332 nan 8.280 nan 0.000 0.563 236 P HA -0.174 nan 4.420 nan 0.000 0.218 236 P C 0.774 177.620 177.300 -0.756 0.000 1.147 236 P CA 1.489 63.717 63.100 -1.454 0.000 0.827 236 P CB 0.454 31.645 31.700 -0.850 0.000 0.778 237 D N -1.774 118.361 120.400 -0.441 0.000 2.323 237 D HA -0.010 4.667 4.640 0.061 0.000 0.209 237 D C 1.283 177.504 176.300 -0.132 0.000 0.973 237 D CA 0.772 54.639 54.000 -0.221 0.000 0.874 237 D CB -0.186 40.520 40.800 -0.156 0.000 0.930 237 D HN 0.175 nan 8.370 nan 0.000 0.521 238 K N -0.301 120.011 120.400 -0.147 0.000 2.397 238 K HA 0.071 4.427 4.320 0.061 0.000 0.202 238 K C -0.425 176.302 176.600 0.211 0.000 1.022 238 K CA -0.304 55.995 56.287 0.020 0.000 1.141 238 K CB 0.498 33.023 32.500 0.042 0.000 0.857 238 K HN 0.051 nan 8.250 nan 0.000 0.514 239 W N 2.703 124.032 121.300 0.049 0.000 2.332 239 W HA 0.146 4.841 4.660 0.058 0.000 0.306 239 W C 0.309 176.858 176.519 0.049 0.000 1.149 239 W CA -1.079 56.303 57.345 0.062 0.000 1.271 239 W CB 0.220 29.715 29.460 0.059 0.000 1.243 239 W HN -0.080 nan 8.180 nan 0.000 0.459 240 T N -0.600 114.110 114.554 0.261 0.000 2.767 240 T HA 0.450 4.837 4.350 0.061 0.000 0.284 240 T C -0.358 174.416 174.700 0.123 0.000 0.973 240 T CA -0.813 61.383 62.100 0.160 0.000 0.996 240 T CB 1.766 70.706 68.868 0.120 0.000 0.927 240 T HN 0.055 nan 8.240 nan 0.000 0.456 241 V N 4.670 124.648 119.914 0.108 0.000 2.276 241 V HA 0.152 4.309 4.120 0.061 0.000 0.249 241 V C 0.599 176.738 176.094 0.076 0.000 1.160 241 V CA -0.714 61.633 62.300 0.078 0.000 1.042 241 V CB -1.032 30.849 31.823 0.096 0.000 1.224 241 V HN 0.992 nan 8.190 nan 0.000 0.496 242 Q N 6.567 126.400 119.800 0.056 0.000 2.286 242 Q HA 0.409 4.786 4.340 0.061 0.000 0.267 242 Q C -2.205 173.867 176.000 0.119 0.000 1.028 242 Q CA -1.064 54.787 55.803 0.081 0.000 0.901 242 Q CB 0.382 29.161 28.738 0.069 0.000 1.183 242 Q HN 0.442 nan 8.270 nan 0.000 0.392 243 P HA 0.255 nan 4.420 nan 0.000 0.293 243 P C -0.278 177.164 177.300 0.237 0.000 1.304 243 P CA -0.774 62.452 63.100 0.211 0.000 0.767 243 P CB 0.780 32.595 31.700 0.191 0.000 1.247 244 I N -2.046 118.692 120.570 0.281 0.000 2.581 244 I HA 0.534 4.740 4.170 0.061 0.000 0.288 244 I C -0.067 176.159 176.117 0.183 0.000 1.047 244 I CA -0.755 60.704 61.300 0.264 0.000 1.374 244 I CB 1.211 39.389 38.000 0.296 0.000 1.423 244 I HN 0.041 nan 8.210 nan 0.000 0.549 245 V N 6.556 126.565 119.914 0.159 0.000 3.078 245 V HA 0.546 4.703 4.120 0.061 0.000 0.311 245 V C -0.556 175.608 176.094 0.116 0.000 1.138 245 V CA -0.804 61.566 62.300 0.117 0.000 1.007 245 V CB 2.399 34.282 31.823 0.100 0.000 1.045 245 V HN 0.725 nan 8.190 nan 0.000 0.432 246 L N 6.243 127.527 121.223 0.101 0.000 2.322 246 L HA 0.584 4.960 4.340 0.061 0.000 0.279 246 L C -1.907 175.042 176.870 0.132 0.000 1.036 246 L CA -1.635 53.275 54.840 0.117 0.000 0.807 246 L CB 1.689 43.806 42.059 0.097 0.000 1.226 246 L HN 0.579 nan 8.230 nan 0.000 0.433 247 P HA 0.053 nan 4.420 nan 0.000 0.271 247 P C -0.873 176.552 177.300 0.208 0.000 1.233 247 P CA -0.273 62.916 63.100 0.148 0.000 0.789 247 P CB 1.110 32.885 31.700 0.124 0.000 0.951 248 E N 1.736 121.999 120.200 0.104 0.000 2.255 248 E HA 0.197 4.584 4.350 0.061 0.000 0.245 248 E C -0.774 175.786 176.600 -0.067 0.000 0.909 248 E CA -0.510 55.952 56.400 0.103 0.000 0.747 248 E CB 0.625 30.369 29.700 0.073 0.000 1.215 248 E HN 0.250 nan 8.360 nan 0.000 0.424 249 K N 2.312 122.545 120.400 -0.277 0.000 2.156 249 K HA 0.287 4.644 4.320 0.061 0.000 0.250 249 K C 0.529 176.851 176.600 -0.464 0.000 0.955 249 K CA -0.587 55.333 56.287 -0.613 0.000 0.855 249 K CB 1.412 33.111 32.500 -1.336 0.000 1.101 249 K HN 0.358 nan 8.250 nan 0.000 0.434 250 D N 0.405 120.603 120.400 -0.337 0.000 2.106 250 D HA -0.042 4.635 4.640 0.061 0.000 0.203 250 D C -0.058 176.126 176.300 -0.193 0.000 0.977 250 D CA 1.181 55.078 54.000 -0.171 0.000 0.844 250 D CB 0.282 41.013 40.800 -0.115 0.000 1.002 250 D HN 0.256 nan 8.370 nan 0.000 0.461 251 S N -0.003 115.528 115.700 -0.281 0.000 2.475 251 S HA 0.326 4.833 4.470 0.061 0.000 0.298 251 S C -0.962 173.426 174.600 -0.353 0.000 1.119 251 S CA -0.731 57.361 58.200 -0.180 0.000 1.085 251 S CB 1.228 64.375 63.200 -0.089 0.000 1.028 251 S HN 0.125 nan 8.310 nan 0.000 0.489 252 W N 2.193 123.493 121.300 -0.001 0.000 2.349 252 W HA 0.437 5.135 4.660 0.062 0.000 0.309 252 W C 0.979 177.498 176.519 -0.001 0.000 1.083 252 W CA -0.605 56.740 57.345 -0.000 0.000 1.224 252 W CB 0.882 30.343 29.460 0.001 0.000 1.256 252 W HN 0.632 nan 8.180 nan 0.000 0.461 253 T N -0.922 113.729 114.554 0.161 0.000 2.874 253 T HA 0.214 4.601 4.350 0.061 0.000 0.281 253 T C 0.867 175.649 174.700 0.137 0.000 0.994 253 T CA -0.697 61.466 62.100 0.105 0.000 1.015 253 T CB 1.356 70.251 68.868 0.044 0.000 1.028 253 T HN 0.221 nan 8.240 nan 0.000 0.523 254 V N 2.194 122.161 119.914 0.089 0.000 2.407 254 V HA -0.161 3.995 4.120 0.061 0.000 0.248 254 V C 2.875 179.016 176.094 0.078 0.000 1.055 254 V CA 2.200 64.546 62.300 0.076 0.000 1.049 254 V CB -1.280 30.573 31.823 0.049 0.000 0.662 254 V HN 0.998 nan 8.190 nan 0.000 0.455 255 N N 0.356 119.097 118.700 0.068 0.000 2.043 255 N HA -0.230 4.546 4.740 0.061 0.000 0.193 255 N C 1.513 177.077 175.510 0.090 0.000 1.037 255 N CA 2.037 55.123 53.050 0.059 0.000 0.851 255 N CB -0.056 38.454 38.487 0.037 0.000 1.027 255 N HN 0.479 nan 8.380 nan 0.000 0.422 256 D N 0.878 121.357 120.400 0.132 0.000 2.092 256 D HA -0.158 4.519 4.640 0.061 0.000 0.193 256 D C 1.890 178.353 176.300 0.272 0.000 0.994 256 D CA 0.679 54.814 54.000 0.224 0.000 0.828 256 D CB -0.434 40.540 40.800 0.290 0.000 0.963 256 D HN 0.334 nan 8.370 nan 0.000 0.450 257 I N 0.870 121.586 120.570 0.244 0.000 2.208 257 I HA -0.293 3.913 4.170 0.061 0.000 0.245 257 I C 1.913 178.070 176.117 0.066 0.000 1.097 257 I CA 1.626 62.985 61.300 0.099 0.000 1.363 257 I CB -0.348 37.679 38.000 0.044 0.000 1.051 257 I HN 0.028 nan 8.210 nan 0.000 0.413 258 Q N 0.158 120.003 119.800 0.074 0.000 2.096 258 Q HA -0.256 4.120 4.340 0.061 0.000 0.204 258 Q C 2.322 178.360 176.000 0.064 0.000 0.982 258 Q CA 1.917 57.754 55.803 0.057 0.000 0.850 258 Q CB -0.266 28.503 28.738 0.051 0.000 0.901 258 Q HN 0.563 nan 8.270 nan 0.000 0.422 259 K N 0.340 120.785 120.400 0.075 0.000 2.025 259 K HA -0.149 4.207 4.320 0.061 0.000 0.207 259 K C 2.119 178.773 176.600 0.090 0.000 1.049 259 K CA 0.729 57.058 56.287 0.069 0.000 0.933 259 K CB -0.221 32.314 32.500 0.059 0.000 0.714 259 K HN 0.036 nan 8.250 nan 0.000 0.438 260 L N 1.251 122.536 121.223 0.103 0.000 1.963 260 L HA -0.253 4.124 4.340 0.061 0.000 0.220 260 L C 2.112 179.027 176.870 0.075 0.000 1.076 260 L CA 1.684 56.578 54.840 0.091 0.000 0.772 260 L CB -0.613 41.472 42.059 0.042 0.000 0.892 260 L HN -0.063 nan 8.230 nan 0.000 0.435 261 V N 0.143 120.086 119.914 0.048 0.000 2.324 261 V HA -0.314 3.843 4.120 0.061 0.000 0.250 261 V C 2.631 178.779 176.094 0.091 0.000 1.060 261 V CA 1.908 64.236 62.300 0.047 0.000 1.042 261 V CB -1.882 29.958 31.823 0.028 0.000 0.650 261 V HN 0.696 nan 8.190 nan 0.000 0.450 262 G N -0.436 108.426 108.800 0.104 0.000 2.529 262 G HA2 -0.387 3.609 3.960 0.061 0.000 0.219 262 G HA3 -0.387 3.609 3.960 0.061 0.000 0.219 262 G C 1.654 176.694 174.900 0.233 0.000 1.177 262 G CA 1.436 46.623 45.100 0.144 0.000 0.773 262 G HN 0.516 nan 8.290 nan 0.000 0.573 263 K N -0.097 120.453 120.400 0.250 0.000 2.001 263 K HA 0.077 4.433 4.320 0.061 0.000 0.208 263 K C 2.651 179.462 176.600 0.351 0.000 1.048 263 K CA 0.846 57.366 56.287 0.388 0.000 0.932 263 K CB -0.286 32.410 32.500 0.326 0.000 0.715 263 K HN 0.346 nan 8.250 nan 0.000 0.437 264 L N 1.133 122.475 121.223 0.198 0.000 2.042 264 L HA -0.238 4.139 4.340 0.061 0.000 0.210 264 L C 2.401 179.320 176.870 0.083 0.000 1.076 264 L CA 1.640 56.550 54.840 0.115 0.000 0.749 264 L CB -0.719 41.370 42.059 0.050 0.000 0.893 264 L HN 0.362 nan 8.230 nan 0.000 0.432 265 N N -0.493 118.265 118.700 0.096 0.000 2.120 265 N HA -0.269 4.507 4.740 0.061 0.000 0.188 265 N C 1.678 177.208 175.510 0.034 0.000 1.024 265 N CA 1.425 54.505 53.050 0.050 0.000 0.852 265 N CB -0.285 38.242 38.487 0.068 0.000 1.003 265 N HN 0.385 nan 8.380 nan 0.000 0.424 266 W N 1.107 122.375 121.300 -0.052 0.000 2.380 266 W HA 0.100 4.810 4.660 0.083 0.000 0.317 266 W C 2.141 178.559 176.519 -0.167 0.000 1.196 266 W CA 2.076 59.344 57.345 -0.128 0.000 1.307 266 W CB -0.863 28.509 29.460 -0.146 0.000 1.157 266 W HN 0.109 nan 8.180 nan 0.000 0.483 267 A N -0.212 122.481 122.820 -0.211 0.000 2.259 267 A HA -0.133 4.224 4.320 0.061 0.000 0.212 267 A C 1.934 179.347 177.584 -0.285 0.000 1.178 267 A CA 1.729 53.510 52.037 -0.426 0.000 0.734 267 A CB -1.198 17.836 19.000 0.057 0.000 0.774 267 A HN 0.328 nan 8.150 nan 0.000 0.481 268 S N -0.605 114.936 115.700 -0.265 0.000 2.489 268 S HA -0.124 4.383 4.470 0.061 0.000 0.228 268 S C 1.763 176.168 174.600 -0.325 0.000 0.995 268 S CA 1.099 59.183 58.200 -0.194 0.000 0.934 268 S CB -0.333 62.783 63.200 -0.139 0.000 0.771 268 S HN 0.739 nan 8.310 nan 0.000 0.522 269 Q N -0.007 119.429 119.800 -0.606 0.000 2.389 269 Q HA 0.081 4.457 4.340 0.061 0.000 0.204 269 Q C 1.458 177.042 176.000 -0.694 0.000 0.944 269 Q CA 0.512 55.825 55.803 -0.817 0.000 0.908 269 Q CB 0.056 27.876 28.738 -1.530 0.000 1.002 269 Q HN 0.505 nan 8.270 nan 0.000 0.493 270 I N -0.260 119.971 120.570 -0.566 0.000 2.315 270 I HA -0.082 4.124 4.170 0.061 0.000 0.233 270 I C 0.578 176.429 176.117 -0.444 0.000 1.067 270 I CA 1.050 62.040 61.300 -0.517 0.000 1.376 270 I CB -0.768 36.827 38.000 -0.675 0.000 1.143 270 I HN 0.018 nan 8.210 nan 0.000 0.421 271 Y N 1.967 122.170 120.300 -0.161 0.000 2.330 271 Y HA 0.345 4.933 4.550 0.063 0.000 0.336 271 Y C -1.506 174.319 175.900 -0.124 0.000 1.036 271 Y CA -2.842 55.196 58.100 -0.104 0.000 1.125 271 Y CB -0.268 38.149 38.460 -0.072 0.000 1.194 271 Y HN 0.083 nan 8.280 nan 0.000 0.469 272 P HA 0.010 nan 4.420 nan 0.000 0.236 272 P C 1.148 178.442 177.300 -0.011 0.000 1.177 272 P CA 0.990 64.081 63.100 -0.015 0.000 0.773 272 P CB 0.327 32.010 31.700 -0.027 0.000 0.878 273 G N 0.602 109.407 108.800 0.009 0.000 2.464 273 G HA2 -0.037 3.959 3.960 0.061 0.000 0.217 273 G HA3 -0.037 3.959 3.960 0.061 0.000 0.217 273 G C 0.857 175.731 174.900 -0.043 0.000 1.138 273 G CA -0.051 45.035 45.100 -0.023 0.000 0.793 273 G HN 0.130 nan 8.290 nan 0.000 0.539 274 I N 1.271 121.813 120.570 -0.045 0.000 2.742 274 I HA 0.139 4.345 4.170 0.061 0.000 0.287 274 I C 0.063 176.151 176.117 -0.048 0.000 1.186 274 I CA 0.236 61.501 61.300 -0.059 0.000 1.417 274 I CB 0.520 38.488 38.000 -0.054 0.000 1.377 274 I HN -0.061 nan 8.210 nan 0.000 0.556 275 K N 4.424 124.794 120.400 -0.050 0.000 2.208 275 K HA 0.527 4.883 4.320 0.061 0.000 0.247 275 K C 0.261 176.834 176.600 -0.044 0.000 0.953 275 K CA -0.507 55.754 56.287 -0.044 0.000 0.837 275 K CB 2.410 34.884 32.500 -0.043 0.000 1.131 275 K HN 0.286 nan 8.250 nan 0.000 0.431 276 V N 1.992 121.883 119.914 -0.039 0.000 3.400 276 V HA 0.069 4.226 4.120 0.061 0.000 0.281 276 V C 0.852 176.924 176.094 -0.037 0.000 1.617 276 V CA 0.107 62.384 62.300 -0.039 0.000 1.044 276 V CB 0.179 31.987 31.823 -0.026 0.000 0.858 276 V HN 0.620 nan 8.190 nan 0.000 0.425 277 R N 0.369 120.849 120.500 -0.033 0.000 2.211 277 R HA -0.195 4.181 4.340 0.061 0.000 0.240 277 R C 1.845 178.126 176.300 -0.033 0.000 1.144 277 R CA 1.788 57.871 56.100 -0.029 0.000 0.992 277 R CB -0.466 29.818 30.300 -0.026 0.000 0.869 277 R HN 0.561 nan 8.270 nan 0.000 0.462 278 Q N 0.150 119.926 119.800 -0.041 0.000 2.212 278 Q HA 0.100 4.477 4.340 0.061 0.000 0.199 278 Q C 1.902 177.870 176.000 -0.055 0.000 0.950 278 Q CA 0.751 56.527 55.803 -0.045 0.000 0.863 278 Q CB 0.110 28.819 28.738 -0.049 0.000 0.944 278 Q HN 0.265 nan 8.270 nan 0.000 0.465 279 L N -0.449 120.736 121.223 -0.064 0.000 2.418 279 L HA 0.027 4.404 4.340 0.061 0.000 0.218 279 L C 2.224 179.060 176.870 -0.055 0.000 1.125 279 L CA 0.689 55.480 54.840 -0.080 0.000 0.835 279 L CB -0.188 41.811 42.059 -0.102 0.000 0.953 279 L HN 0.192 nan 8.230 nan 0.000 0.454 280 S N 0.214 115.891 115.700 -0.039 0.000 2.345 280 S HA -0.186 4.321 4.470 0.061 0.000 0.220 280 S C 1.976 176.564 174.600 -0.020 0.000 1.031 280 S CA 1.234 59.419 58.200 -0.024 0.000 0.996 280 S CB 0.003 63.193 63.200 -0.018 0.000 0.882 280 S HN 0.289 nan 8.310 nan 0.000 0.445 281 K N 0.293 120.680 120.400 -0.022 0.000 2.293 281 K HA -0.126 4.231 4.320 0.061 0.000 0.204 281 K C 1.742 178.333 176.600 -0.015 0.000 1.045 281 K CA 1.072 57.349 56.287 -0.017 0.000 0.933 281 K CB -0.345 32.144 32.500 -0.019 0.000 0.736 281 K HN 0.315 nan 8.250 nan 0.000 0.463 282 L N 0.317 121.527 121.223 -0.021 0.000 2.093 282 L HA -0.155 4.221 4.340 0.061 0.000 0.208 282 L C 1.969 178.836 176.870 -0.004 0.000 1.085 282 L CA 1.420 56.250 54.840 -0.016 0.000 0.755 282 L CB -0.297 41.745 42.059 -0.030 0.000 0.904 282 L HN 0.134 nan 8.230 nan 0.000 0.435 283 L N -1.184 120.037 121.223 -0.002 0.000 2.341 283 L HA -0.003 4.374 4.340 0.061 0.000 0.214 283 L C 0.819 177.692 176.870 0.006 0.000 1.115 283 L CA -0.121 54.723 54.840 0.007 0.000 0.820 283 L CB -0.356 41.708 42.059 0.009 0.000 0.944 283 L HN 0.103 nan 8.230 nan 0.000 0.452 284 R N 1.770 122.271 120.500 0.002 0.000 2.695 284 R HA 0.121 4.498 4.340 0.061 0.000 0.304 284 R C 0.438 176.741 176.300 0.004 0.000 0.836 284 R CA 0.854 56.955 56.100 0.002 0.000 1.135 284 R CB -0.810 29.489 30.300 -0.001 0.000 0.882 284 R HN 0.347 nan 8.270 nan 0.000 0.413 285 G N 1.990 110.793 108.800 0.006 0.000 3.355 285 G HA2 -0.208 3.789 3.960 0.061 0.000 0.686 285 G HA3 -0.208 3.789 3.960 0.061 0.000 0.686 285 G C 0.001 174.906 174.900 0.009 0.000 1.097 285 G CA -0.512 44.592 45.100 0.006 0.000 0.881 285 G HN 0.704 nan 8.290 nan 0.000 0.550 286 T N 0.388 114.947 114.554 0.009 0.000 2.695 286 T HA 0.365 4.752 4.350 0.061 0.000 0.264 286 T C 0.760 175.466 174.700 0.011 0.000 0.993 286 T CA 0.829 62.935 62.100 0.010 0.000 1.248 286 T CB 0.481 69.354 68.868 0.009 0.000 0.946 286 T HN 0.735 nan 8.240 nan 0.000 0.526 287 K N 2.073 122.481 120.400 0.013 0.000 2.512 287 K HA 0.789 5.146 4.320 0.061 0.000 0.272 287 K C -0.008 176.601 176.600 0.015 0.000 1.033 287 K CA -1.163 55.132 56.287 0.014 0.000 1.096 287 K CB 1.111 33.621 32.500 0.017 0.000 1.498 287 K HN 0.650 nan 8.250 nan 0.000 0.629 288 A N 0.640 123.470 122.820 0.016 0.000 2.337 288 A HA 0.336 4.693 4.320 0.061 0.000 0.329 288 A C 0.541 178.136 177.584 0.019 0.000 1.146 288 A CA -0.467 51.579 52.037 0.015 0.000 0.800 288 A CB 0.691 19.698 19.000 0.013 0.000 1.220 288 A HN 0.532 nan 8.150 nan 0.000 0.472 289 L N 1.665 122.898 121.223 0.017 0.000 2.017 289 L HA -0.135 4.242 4.340 0.061 0.000 0.208 289 L C 2.818 179.701 176.870 0.021 0.000 1.073 289 L CA 2.901 57.753 54.840 0.021 0.000 0.745 289 L CB -0.714 41.355 42.059 0.016 0.000 0.894 289 L HN 0.903 nan 8.230 nan 0.000 0.432 290 T N -3.326 111.237 114.554 0.014 0.000 3.118 290 T HA -0.092 4.295 4.350 0.061 0.000 0.260 290 T C 0.858 175.568 174.700 0.015 0.000 1.139 290 T CA -0.164 61.942 62.100 0.011 0.000 1.085 290 T CB -0.559 68.311 68.868 0.003 0.000 0.934 290 T HN 0.324 nan 8.240 nan 0.000 0.518 291 E N 1.948 122.160 120.200 0.021 0.000 2.406 291 E HA 0.184 4.570 4.350 0.061 0.000 0.258 291 E C -0.514 176.109 176.600 0.037 0.000 1.043 291 E CA -0.381 56.034 56.400 0.025 0.000 0.929 291 E CB 0.425 30.139 29.700 0.024 0.000 0.969 291 E HN 0.163 nan 8.360 nan 0.000 0.462 292 V N 6.295 126.229 119.914 0.034 0.000 2.811 292 V HA 0.142 4.298 4.120 0.061 0.000 0.302 292 V C 0.573 176.704 176.094 0.063 0.000 1.063 292 V CA 0.198 62.528 62.300 0.050 0.000 1.088 292 V CB 0.803 32.646 31.823 0.033 0.000 0.982 292 V HN 0.577 nan 8.190 nan 0.000 0.485 293 I N 5.444 126.073 120.570 0.097 0.000 2.498 293 I HA 0.384 4.591 4.170 0.061 0.000 0.290 293 I C -2.235 173.947 176.117 0.107 0.000 1.032 293 I CA -1.950 59.403 61.300 0.088 0.000 1.073 293 I CB 2.517 40.565 38.000 0.081 0.000 1.251 293 I HN 0.497 nan 8.210 nan 0.000 0.426 294 P HA -0.015 nan 4.420 nan 0.000 0.265 294 P C -0.542 176.799 177.300 0.068 0.000 1.193 294 P CA -0.414 62.729 63.100 0.071 0.000 0.765 294 P CB 1.156 32.882 31.700 0.043 0.000 0.823 295 L N 3.984 125.262 121.223 0.092 0.000 2.505 295 L HA 0.111 4.487 4.340 0.061 0.000 0.279 295 L C 0.978 177.851 176.870 0.005 0.000 1.211 295 L CA 0.391 55.261 54.840 0.050 0.000 1.059 295 L CB -1.244 40.888 42.059 0.121 0.000 1.340 295 L HN 0.475 nan 8.230 nan 0.000 0.447 296 T N 1.378 115.919 114.554 -0.021 0.000 2.795 296 T HA 0.018 4.405 4.350 0.061 0.000 0.314 296 T C 1.186 175.866 174.700 -0.032 0.000 1.069 296 T CA -0.173 61.914 62.100 -0.022 0.000 1.071 296 T CB 0.650 69.501 68.868 -0.028 0.000 0.988 296 T HN 0.646 nan 8.240 nan 0.000 0.543 297 E N 1.853 122.039 120.200 -0.023 0.000 2.216 297 E HA -0.018 4.369 4.350 0.061 0.000 0.192 297 E C 2.041 178.620 176.600 -0.034 0.000 0.988 297 E CA 0.767 57.152 56.400 -0.025 0.000 0.834 297 E CB -0.092 29.599 29.700 -0.015 0.000 0.772 297 E HN 0.707 nan 8.360 nan 0.000 0.479 298 E N 0.909 121.088 120.200 -0.035 0.000 2.153 298 E HA -0.098 4.289 4.350 0.061 0.000 0.194 298 E C 1.761 178.329 176.600 -0.054 0.000 0.988 298 E CA 1.177 57.554 56.400 -0.039 0.000 0.811 298 E CB -0.127 29.552 29.700 -0.035 0.000 0.746 298 E HN 0.248 nan 8.360 nan 0.000 0.466 299 A N 0.712 123.491 122.820 -0.069 0.000 1.850 299 A HA -0.098 4.259 4.320 0.061 0.000 0.212 299 A C 1.939 179.461 177.584 -0.104 0.000 1.208 299 A CA 0.849 52.825 52.037 -0.101 0.000 0.609 299 A CB -0.345 18.573 19.000 -0.136 0.000 0.860 299 A HN 0.050 nan 8.150 nan 0.000 0.448 300 E N -0.269 119.876 120.200 -0.091 0.000 2.169 300 E HA -0.265 4.122 4.350 0.061 0.000 0.202 300 E C 1.913 178.479 176.600 -0.056 0.000 1.016 300 E CA 1.635 57.992 56.400 -0.071 0.000 0.817 300 E CB -0.506 29.172 29.700 -0.037 0.000 0.736 300 E HN 0.504 nan 8.360 nan 0.000 0.462 301 L N 1.282 122.476 121.223 -0.049 0.000 1.961 301 L HA -0.153 4.224 4.340 0.061 0.000 0.210 301 L C 2.294 179.133 176.870 -0.050 0.000 1.072 301 L CA 2.066 56.881 54.840 -0.042 0.000 0.749 301 L CB -0.507 41.531 42.059 -0.036 0.000 0.889 301 L HN 0.014 nan 8.230 nan 0.000 0.432 302 E N -0.745 119.420 120.200 -0.059 0.000 2.204 302 E HA -0.231 4.156 4.350 0.061 0.000 0.195 302 E C 2.302 178.856 176.600 -0.076 0.000 0.990 302 E CA 1.055 57.416 56.400 -0.064 0.000 0.821 302 E CB -0.162 29.500 29.700 -0.064 0.000 0.750 302 E HN 0.589 nan 8.360 nan 0.000 0.477 303 L N 0.031 121.198 121.223 -0.093 0.000 2.005 303 L HA -0.159 4.218 4.340 0.061 0.000 0.207 303 L C 2.360 179.187 176.870 -0.073 0.000 1.072 303 L CA 1.521 56.296 54.840 -0.108 0.000 0.744 303 L CB -0.277 41.685 42.059 -0.161 0.000 0.895 303 L HN 0.158 nan 8.230 nan 0.000 0.433 304 A N -0.756 122.031 122.820 -0.056 0.000 1.930 304 A HA -0.264 4.093 4.320 0.061 0.000 0.217 304 A C 2.133 179.690 177.584 -0.044 0.000 1.175 304 A CA 1.642 53.657 52.037 -0.037 0.000 0.627 304 A CB -0.602 18.384 19.000 -0.024 0.000 0.815 304 A HN 0.590 nan 8.150 nan 0.000 0.443 305 E N 0.055 120.224 120.200 -0.051 0.000 2.097 305 E HA -0.238 4.149 4.350 0.061 0.000 0.196 305 E C 1.584 178.143 176.600 -0.070 0.000 1.000 305 E CA 1.537 57.904 56.400 -0.055 0.000 0.804 305 E CB -0.079 29.589 29.700 -0.053 0.000 0.740 305 E HN 0.603 nan 8.360 nan 0.000 0.454 306 N N 0.113 118.768 118.700 -0.076 0.000 2.250 306 N HA -0.101 4.675 4.740 0.061 0.000 0.181 306 N C 1.708 177.155 175.510 -0.104 0.000 1.017 306 N CA 0.528 53.520 53.050 -0.096 0.000 0.866 306 N CB -0.275 38.162 38.487 -0.083 0.000 0.985 306 N HN 0.132 nan 8.380 nan 0.000 0.429 307 R N 1.201 121.659 120.500 -0.070 0.000 2.193 307 R HA -0.066 4.311 4.340 0.061 0.000 0.229 307 R C 1.077 177.341 176.300 -0.060 0.000 1.110 307 R CA 0.997 57.066 56.100 -0.051 0.000 0.988 307 R CB 0.259 30.547 30.300 -0.020 0.000 0.871 307 R HN 0.149 nan 8.270 nan 0.000 0.458 308 E N 0.302 120.460 120.200 -0.070 0.000 2.122 308 E HA -0.092 4.295 4.350 0.061 0.000 0.190 308 E C 1.964 178.501 176.600 -0.104 0.000 0.977 308 E CA 0.517 56.878 56.400 -0.065 0.000 0.820 308 E CB 0.048 29.717 29.700 -0.051 0.000 0.770 308 E HN 0.307 nan 8.360 nan 0.000 0.462 309 I N 1.126 121.599 120.570 -0.162 0.000 2.286 309 I HA -0.211 3.995 4.170 0.061 0.000 0.248 309 I C 2.302 178.160 176.117 -0.431 0.000 1.115 309 I CA 1.012 62.154 61.300 -0.263 0.000 1.392 309 I CB -1.105 36.707 38.000 -0.313 0.000 1.065 309 I HN 0.079 nan 8.210 nan 0.000 0.418 310 L N -0.027 120.966 121.223 -0.383 0.000 2.552 310 L HA -0.077 4.300 4.340 0.061 0.000 0.227 310 L C 2.266 179.085 176.870 -0.085 0.000 1.146 310 L CA 0.647 55.284 54.840 -0.339 0.000 0.858 310 L CB -0.458 41.496 42.059 -0.175 0.000 0.969 310 L HN 0.229 nan 8.230 nan 0.000 0.451 311 K N -0.019 120.347 120.400 -0.056 0.000 2.141 311 K HA 0.009 4.365 4.320 0.061 0.000 0.202 311 K C 0.648 177.278 176.600 0.050 0.000 1.045 311 K CA 0.076 56.373 56.287 0.017 0.000 0.971 311 K CB 0.219 32.726 32.500 0.010 0.000 0.795 311 K HN -0.039 nan 8.250 nan 0.000 0.459 312 E N 2.824 123.042 120.200 0.030 0.000 2.366 312 E HA 0.023 4.410 4.350 0.061 0.000 0.266 312 E C -2.391 174.308 176.600 0.165 0.000 1.015 312 E CA -2.112 54.334 56.400 0.077 0.000 0.906 312 E CB 0.423 30.145 29.700 0.036 0.000 0.979 312 E HN 0.025 nan 8.360 nan 0.000 0.443 313 P HA -0.113 nan 4.420 nan 0.000 0.264 313 P C -0.194 177.308 177.300 0.336 0.000 1.183 313 P CA -0.072 63.172 63.100 0.241 0.000 0.763 313 P CB 0.666 32.474 31.700 0.179 0.000 0.807 314 V N 4.935 125.036 119.914 0.312 0.000 2.540 314 V HA -0.068 4.089 4.120 0.061 0.000 0.297 314 V C 0.018 176.259 176.094 0.246 0.000 1.024 314 V CA 0.271 62.714 62.300 0.240 0.000 1.105 314 V CB -0.881 30.899 31.823 -0.071 0.000 0.938 314 V HN 0.461 nan 8.190 nan 0.000 0.482 315 H N 5.014 124.134 119.070 0.082 0.000 2.580 315 H HA 0.608 5.168 4.556 0.007 0.000 0.322 315 H C 0.960 176.323 175.328 0.059 0.000 1.082 315 H CA 0.354 56.444 56.048 0.071 0.000 1.383 315 H CB 1.492 31.294 29.762 0.067 0.000 1.450 315 H HN 1.000 nan 8.280 nan 0.000 0.505 316 G N 1.902 110.770 108.800 0.113 0.000 2.198 316 G HA2 -0.190 3.807 3.960 0.061 0.000 0.156 316 G HA3 -0.190 3.807 3.960 0.061 0.000 0.156 316 G C -0.211 174.850 174.900 0.269 0.000 1.012 316 G CA -0.049 45.143 45.100 0.153 0.000 0.692 316 G HN 0.698 nan 8.290 nan 0.000 0.492 317 V N -0.267 119.752 119.914 0.175 0.000 2.775 317 V HA 0.853 5.010 4.120 0.061 0.000 0.299 317 V C -0.154 176.105 176.094 0.276 0.000 1.062 317 V CA -0.298 62.089 62.300 0.145 0.000 1.063 317 V CB 0.513 32.382 31.823 0.077 0.000 0.994 317 V HN 1.452 nan 8.190 nan 0.000 0.483 318 Y N 1.976 122.319 120.300 0.070 0.000 2.522 318 Y HA 0.603 5.175 4.550 0.036 0.000 0.326 318 Y C -1.455 174.529 175.900 0.139 0.000 1.198 318 Y CA -1.588 56.567 58.100 0.091 0.000 1.112 318 Y CB 0.384 38.866 38.460 0.037 0.000 1.342 318 Y HN 0.781 nan 8.280 nan 0.000 0.460 319 Y N 3.258 123.591 120.300 0.054 0.000 2.320 319 Y HA 0.607 5.191 4.550 0.057 0.000 0.324 319 Y C -0.863 175.060 175.900 0.039 0.000 1.190 319 Y CA -1.037 57.038 58.100 -0.041 0.000 1.215 319 Y CB 1.529 40.067 38.460 0.130 0.000 1.221 319 Y HN 0.823 nan 8.280 nan 0.000 0.486 320 D N 7.697 127.684 120.400 -0.688 0.000 2.358 320 D HA 0.244 4.921 4.640 0.061 0.000 0.253 320 D C -2.192 173.619 176.300 -0.815 0.000 1.288 320 D CA -2.123 51.551 54.000 -0.544 0.000 0.950 320 D CB 1.895 42.605 40.800 -0.150 0.000 1.197 320 D HN 0.376 nan 8.370 nan 0.000 0.550 321 P HA -0.128 nan 4.420 nan 0.000 0.218 321 P C 0.938 178.118 177.300 -0.200 0.000 1.146 321 P CA 0.639 63.454 63.100 -0.474 0.000 0.813 321 P CB 0.372 31.936 31.700 -0.227 0.000 0.778 322 S N -0.834 114.758 115.700 -0.180 0.000 2.660 322 S HA 0.061 4.567 4.470 0.061 0.000 0.223 322 S C 0.690 175.239 174.600 -0.085 0.000 0.963 322 S CA 0.458 58.598 58.200 -0.100 0.000 0.932 322 S CB -0.358 62.795 63.200 -0.078 0.000 0.775 322 S HN 0.295 nan 8.310 nan 0.000 0.531 323 K N 1.107 121.441 120.400 -0.110 0.000 2.426 323 K HA 0.322 4.679 4.320 0.061 0.000 0.251 323 K C -1.380 175.169 176.600 -0.086 0.000 0.941 323 K CA -0.844 55.391 56.287 -0.087 0.000 0.808 323 K CB 1.450 33.896 32.500 -0.090 0.000 1.265 323 K HN -0.106 nan 8.250 nan 0.000 0.432 324 D N 1.409 121.758 120.400 -0.085 0.000 2.414 324 D HA 0.104 4.781 4.640 0.061 0.000 0.242 324 D C -0.923 175.267 176.300 -0.184 0.000 1.129 324 D CA -0.131 53.804 54.000 -0.107 0.000 0.885 324 D CB 0.624 41.366 40.800 -0.096 0.000 1.198 324 D HN 0.115 nan 8.370 nan 0.000 0.437 325 L N 3.837 124.918 121.223 -0.236 0.000 2.334 325 L HA 0.481 4.857 4.340 0.061 0.000 0.277 325 L C -0.548 176.042 176.870 -0.466 0.000 1.075 325 L CA -0.120 54.490 54.840 -0.382 0.000 0.804 325 L CB 1.053 42.852 42.059 -0.433 0.000 1.174 325 L HN 0.422 nan 8.230 nan 0.000 0.438 326 I N 3.621 123.802 120.570 -0.648 0.000 2.466 326 I HA 0.601 4.808 4.170 0.061 0.000 0.289 326 I C -0.567 175.040 176.117 -0.849 0.000 1.026 326 I CA -0.602 60.229 61.300 -0.782 0.000 1.078 326 I CB 1.891 39.298 38.000 -0.989 0.000 1.249 326 I HN 0.672 nan 8.210 nan 0.000 0.429 327 A N 5.901 128.311 122.820 -0.683 0.000 2.342 327 A HA 0.762 5.119 4.320 0.061 0.000 0.323 327 A C -0.794 176.666 177.584 -0.206 0.000 1.125 327 A CA -0.508 51.231 52.037 -0.497 0.000 0.785 327 A CB 1.228 19.775 19.000 -0.755 0.000 1.221 327 A HN 0.730 nan 8.150 nan 0.000 0.463 328 E N 1.266 121.472 120.200 0.010 0.000 2.238 328 E HA 0.618 5.005 4.350 0.061 0.000 0.267 328 E C -1.335 175.394 176.600 0.215 0.000 0.887 328 E CA -0.436 56.046 56.400 0.137 0.000 0.769 328 E CB 2.373 32.191 29.700 0.197 0.000 1.187 328 E HN 0.602 nan 8.360 nan 0.000 0.416 329 I N 2.185 122.901 120.570 0.243 0.000 2.545 329 I HA 0.238 4.444 4.170 0.061 0.000 0.292 329 I C -0.854 175.452 176.117 0.316 0.000 1.040 329 I CA -0.878 60.606 61.300 0.308 0.000 1.068 329 I CB 2.052 40.229 38.000 0.294 0.000 1.251 329 I HN 0.339 nan 8.210 nan 0.000 0.424 330 Q N 4.512 124.514 119.800 0.337 0.000 2.337 330 Q HA 0.386 4.762 4.340 0.061 0.000 0.266 330 Q C -0.737 175.387 176.000 0.207 0.000 1.023 330 Q CA -0.705 55.255 55.803 0.262 0.000 0.829 330 Q CB 2.394 31.276 28.738 0.238 0.000 1.306 330 Q HN 0.319 nan 8.270 nan 0.000 0.449 331 K N 2.054 122.475 120.400 0.036 0.000 2.258 331 K HA 0.130 4.487 4.320 0.061 0.000 0.284 331 K C -0.000 176.392 176.600 -0.347 0.000 1.051 331 K CA -0.141 55.903 56.287 -0.405 0.000 0.923 331 K CB 0.706 32.959 32.500 -0.411 0.000 1.046 331 K HN 0.557 nan 8.250 nan 0.000 0.474 332 Q N 2.151 121.681 119.800 -0.450 0.000 2.252 332 Q HA 0.270 4.646 4.340 0.061 0.000 0.195 332 Q C 0.512 176.350 176.000 -0.269 0.000 0.974 332 Q CA 1.067 56.707 55.803 -0.272 0.000 0.846 332 Q CB 0.410 29.037 28.738 -0.184 0.000 0.943 332 Q HN 0.940 nan 8.270 nan 0.000 0.516 333 G N -0.429 108.175 108.800 -0.326 0.000 2.326 333 G HA2 0.016 4.013 3.960 0.061 0.000 0.413 333 G HA3 0.016 4.013 3.960 0.061 0.000 0.413 333 G C -1.237 173.568 174.900 -0.159 0.000 1.444 333 G CA -0.327 44.639 45.100 -0.223 0.000 1.002 333 G HN 0.161 nan 8.290 nan 0.000 0.649 334 Q N -1.320 118.421 119.800 -0.098 0.000 2.481 334 Q HA -0.196 4.181 4.340 0.061 0.000 0.272 334 Q C 1.596 177.577 176.000 -0.031 0.000 1.157 334 Q CA 2.097 57.869 55.803 -0.051 0.000 0.935 334 Q CB -1.582 27.128 28.738 -0.046 0.000 1.338 334 Q HN 2.884 nan 8.270 nan 0.000 0.494 335 G N -0.711 108.070 108.800 -0.033 0.000 2.184 335 G HA2 -0.352 3.645 3.960 0.061 0.000 0.264 335 G HA3 -0.352 3.645 3.960 0.061 0.000 0.264 335 G C 0.066 175.025 174.900 0.099 0.000 0.975 335 G CA 0.707 45.861 45.100 0.090 0.000 0.642 335 G HN 0.421 nan 8.290 nan 0.000 0.536 336 Q N -1.237 118.510 119.800 -0.088 0.000 2.259 336 Q HA 0.589 4.966 4.340 0.061 0.000 0.246 336 Q C -0.530 175.362 176.000 -0.181 0.000 0.920 336 Q CA -0.225 55.576 55.803 -0.004 0.000 0.895 336 Q CB 0.872 29.598 28.738 -0.021 0.000 1.220 336 Q HN 0.414 nan 8.270 nan 0.000 0.439 337 W N -0.044 121.367 121.300 0.184 0.000 3.107 337 W HA 0.415 5.111 4.660 0.059 0.000 0.331 337 W C -0.649 176.009 176.519 0.232 0.000 1.204 337 W CA -0.533 56.944 57.345 0.220 0.000 1.184 337 W CB 1.767 31.405 29.460 0.297 0.000 1.421 337 W HN 0.567 nan 8.180 nan 0.000 0.544 338 T N -0.631 114.176 114.554 0.422 0.000 2.907 338 T HA 0.835 5.222 4.350 0.061 0.000 0.292 338 T C -1.255 173.638 174.700 0.322 0.000 1.043 338 T CA -0.697 61.572 62.100 0.281 0.000 1.003 338 T CB 1.960 70.928 68.868 0.166 0.000 1.084 338 T HN 0.537 nan 8.240 nan 0.000 0.483 339 Y N -0.563 119.780 120.300 0.072 0.000 2.644 339 Y HA 0.855 5.442 4.550 0.062 0.000 0.338 339 Y C -1.537 174.305 175.900 -0.097 0.000 1.119 339 Y CA -1.432 56.682 58.100 0.023 0.000 1.060 339 Y CB 1.521 40.028 38.460 0.079 0.000 1.294 339 Y HN 0.658 nan 8.280 nan 0.000 0.472 340 Q N 1.752 121.621 119.800 0.116 0.000 2.295 340 Q HA 0.593 4.970 4.340 0.061 0.000 0.268 340 Q C -1.598 174.472 176.000 0.118 0.000 1.010 340 Q CA -0.457 55.363 55.803 0.027 0.000 0.856 340 Q CB 2.985 31.671 28.738 -0.085 0.000 1.349 340 Q HN 0.746 nan 8.270 nan 0.000 0.412 341 I N 3.441 124.062 120.570 0.084 0.000 2.377 341 I HA 0.671 4.877 4.170 0.061 0.000 0.293 341 I C -0.832 175.225 176.117 -0.101 0.000 0.987 341 I CA -1.127 60.102 61.300 -0.118 0.000 1.185 341 I CB 0.698 38.626 38.000 -0.121 0.000 1.341 341 I HN 0.682 nan 8.210 nan 0.000 0.455 342 Y N 2.890 123.037 120.300 -0.254 0.000 2.689 342 Y HA 0.422 5.010 4.550 0.064 0.000 0.333 342 Y C -0.321 175.417 175.900 -0.271 0.000 1.208 342 Y CA -0.975 56.973 58.100 -0.254 0.000 1.055 342 Y CB 1.057 39.399 38.460 -0.196 0.000 1.304 342 Y HN 0.460 nan 8.280 nan 0.000 0.455 343 Q N 0.080 119.886 119.800 0.010 0.000 2.431 343 Q HA 0.185 4.562 4.340 0.061 0.000 0.244 343 Q C -0.679 175.382 176.000 0.102 0.000 0.880 343 Q CA 0.433 56.198 55.803 -0.063 0.000 0.954 343 Q CB 0.994 29.632 28.738 -0.167 0.000 1.105 343 Q HN 0.733 nan 8.270 nan 0.000 0.558 344 E N 1.386 121.664 120.200 0.130 0.000 2.293 344 E HA 0.338 4.725 4.350 0.061 0.000 0.270 344 E C -2.820 173.698 176.600 -0.136 0.000 0.879 344 E CA -2.631 53.801 56.400 0.052 0.000 0.756 344 E CB 1.520 31.232 29.700 0.021 0.000 1.208 344 E HN -0.187 nan 8.360 nan 0.000 0.428 345 P HA -0.094 nan 4.420 nan 0.000 0.261 345 P C -0.268 176.798 177.300 -0.390 0.000 1.173 345 P CA 0.377 63.087 63.100 -0.649 0.000 0.760 345 P CB -0.144 31.294 31.700 -0.437 0.000 0.783 346 F N 0.261 119.970 119.950 -0.400 0.000 2.884 346 F HA -0.197 4.361 4.527 0.051 0.000 0.294 346 F C 0.594 176.240 175.800 -0.256 0.000 0.723 346 F CA 1.035 58.840 58.000 -0.326 0.000 1.294 346 F CB -2.370 36.433 39.000 -0.328 0.000 1.551 346 F HN 0.333 nan 8.300 nan 0.000 0.363 347 K N 0.685 121.013 120.400 -0.119 0.000 3.022 347 K HA 0.324 4.681 4.320 0.061 0.000 0.178 347 K C -0.209 176.347 176.600 -0.074 0.000 1.089 347 K CA -0.390 55.852 56.287 -0.076 0.000 0.916 347 K CB 0.197 32.661 32.500 -0.060 0.000 1.159 347 K HN 0.006 nan 8.250 nan 0.000 0.592 348 N N 1.097 119.767 118.700 -0.050 0.000 2.407 348 N HA -0.005 4.772 4.740 0.061 0.000 0.250 348 N C 0.793 176.320 175.510 0.029 0.000 1.236 348 N CA 0.260 53.322 53.050 0.020 0.000 0.879 348 N CB 0.728 39.245 38.487 0.050 0.000 1.088 348 N HN 0.253 nan 8.380 nan 0.000 0.450 349 L N 0.418 121.668 121.223 0.044 0.000 2.253 349 L HA 0.177 4.554 4.340 0.061 0.000 0.205 349 L C 0.907 177.892 176.870 0.193 0.000 1.078 349 L CA 0.619 55.517 54.840 0.098 0.000 0.805 349 L CB 0.105 42.175 42.059 0.019 0.000 0.963 349 L HN 0.534 nan 8.230 nan 0.000 0.459 350 K N 0.302 120.805 120.400 0.171 0.000 2.572 350 K HA 0.284 4.641 4.320 0.061 0.000 0.263 350 K C -1.505 175.136 176.600 0.068 0.000 0.932 350 K CA -0.386 56.001 56.287 0.166 0.000 0.838 350 K CB 2.125 34.791 32.500 0.277 0.000 1.366 350 K HN -0.071 nan 8.250 nan 0.000 0.425 351 T N 0.149 114.680 114.554 -0.039 0.000 2.937 351 T HA 0.680 5.066 4.350 0.061 0.000 0.297 351 T C -0.033 174.422 174.700 -0.409 0.000 0.991 351 T CA -0.560 61.390 62.100 -0.251 0.000 0.990 351 T CB 1.523 70.293 68.868 -0.165 0.000 0.991 351 T HN 0.640 nan 8.240 nan 0.000 0.440 352 G N 1.179 109.346 108.800 -1.056 0.000 3.016 352 G HA2 0.730 4.726 3.960 0.061 0.000 0.270 352 G HA3 0.730 4.726 3.960 0.061 0.000 0.270 352 G C -1.327 173.239 174.900 -0.556 0.000 1.352 352 G CA -1.171 43.424 45.100 -0.841 0.000 1.060 352 G HN 0.836 nan 8.290 nan 0.000 0.538 353 K N -0.103 120.241 120.400 -0.093 0.000 2.764 353 K HA 0.228 4.585 4.320 0.061 0.000 0.239 353 K C -1.813 174.957 176.600 0.284 0.000 1.048 353 K CA -0.683 55.680 56.287 0.127 0.000 1.057 353 K CB 1.157 33.708 32.500 0.084 0.000 1.251 353 K HN 0.488 nan 8.250 nan 0.000 0.524 354 Y N 3.144 123.643 120.300 0.332 0.000 2.569 354 Y HA 0.260 4.846 4.550 0.060 0.000 0.332 354 Y C 0.050 176.113 175.900 0.272 0.000 1.120 354 Y CA 0.348 58.616 58.100 0.279 0.000 1.416 354 Y CB 0.564 39.172 38.460 0.247 0.000 1.210 354 Y HN 0.647 nan 8.280 nan 0.000 0.528 355 A N 6.621 129.217 122.820 -0.374 0.000 2.388 355 A HA 0.452 4.809 4.320 0.061 0.000 0.280 355 A C 0.023 177.447 177.584 -0.267 0.000 1.377 355 A CA -0.821 51.090 52.037 -0.210 0.000 0.863 355 A CB 0.288 19.199 19.000 -0.148 0.000 1.416 355 A HN 0.733 nan 8.150 nan 0.000 0.517 356 R N 1.119 121.552 120.500 -0.110 0.000 2.413 356 R HA 0.046 4.423 4.340 0.061 0.000 0.333 356 R C -0.493 175.734 176.300 -0.121 0.000 1.074 356 R CA -0.044 56.018 56.100 -0.063 0.000 0.982 356 R CB -0.363 29.928 30.300 -0.015 0.000 0.981 356 R HN 0.639 nan 8.270 nan 0.000 0.452 357 M N 4.804 124.317 119.600 -0.146 0.000 2.356 357 M HA 0.007 4.523 4.480 0.061 0.000 0.348 357 M C 0.083 176.361 176.300 -0.037 0.000 1.595 357 M CA 0.272 55.516 55.300 -0.093 0.000 1.095 357 M CB 0.065 32.682 32.600 0.028 0.000 1.963 357 M HN 0.267 nan 8.290 nan 0.000 0.459 358 R N 3.121 123.600 120.500 -0.034 0.000 2.387 358 R HA 0.315 4.692 4.340 0.061 0.000 0.321 358 R C 1.077 177.358 176.300 -0.031 0.000 1.174 358 R CA 0.562 56.647 56.100 -0.024 0.000 1.002 358 R CB -0.410 29.881 30.300 -0.015 0.000 1.028 358 R HN 1.025 nan 8.270 nan 0.000 0.482 359 G N 1.041 109.810 108.800 -0.051 0.000 2.813 359 G HA2 -0.174 3.823 3.960 0.061 0.000 0.194 359 G HA3 -0.174 3.823 3.960 0.061 0.000 0.194 359 G C 0.150 174.935 174.900 -0.192 0.000 1.010 359 G CA -0.253 44.791 45.100 -0.095 0.000 0.771 359 G HN 0.725 nan 8.290 nan 0.000 0.485 360 A N 1.644 124.381 122.820 -0.139 0.000 2.388 360 A HA 0.641 4.997 4.320 0.061 0.000 0.257 360 A C 0.537 178.029 177.584 -0.154 0.000 1.095 360 A CA -0.243 51.685 52.037 -0.181 0.000 0.791 360 A CB 0.096 19.069 19.000 -0.047 0.000 1.029 360 A HN 0.397 nan 8.150 nan 0.000 0.489 361 H N 0.670 119.713 119.070 -0.045 0.000 2.581 361 H HA 0.189 4.782 4.556 0.061 0.000 0.369 361 H C 0.834 176.150 175.328 -0.020 0.000 1.351 361 H CA 0.831 56.857 56.048 -0.037 0.000 1.434 361 H CB 0.304 30.032 29.762 -0.058 0.000 1.558 361 H HN 0.681 nan 8.280 nan 0.000 0.608 362 T N -0.318 114.319 114.554 0.137 0.000 4.313 362 T HA 0.039 4.426 4.350 0.061 0.000 0.272 362 T C 0.390 175.125 174.700 0.058 0.000 1.298 362 T CA -0.682 61.466 62.100 0.080 0.000 1.124 362 T CB -0.926 67.972 68.868 0.049 0.000 1.352 362 T HN 0.365 nan 8.240 nan 0.000 1.013 363 N N 1.910 120.647 118.700 0.061 0.000 2.716 363 N HA 0.128 4.905 4.740 0.061 0.000 0.253 363 N C 0.250 175.809 175.510 0.082 0.000 1.170 363 N CA -0.393 52.669 53.050 0.020 0.000 0.807 363 N CB 1.197 39.643 38.487 -0.068 0.000 1.183 363 N HN 0.255 nan 8.380 nan 0.000 0.524 364 D N 1.268 121.767 120.400 0.165 0.000 2.200 364 D HA -0.174 4.502 4.640 0.061 0.000 0.192 364 D C 1.658 178.124 176.300 0.278 0.000 1.008 364 D CA 1.411 55.611 54.000 0.332 0.000 0.872 364 D CB 0.485 41.480 40.800 0.325 0.000 0.923 364 D HN 0.314 nan 8.370 nan 0.000 0.447 365 V N 0.803 120.841 119.914 0.207 0.000 2.379 365 V HA -0.205 3.952 4.120 0.061 0.000 0.245 365 V C 2.488 178.673 176.094 0.152 0.000 1.044 365 V CA 1.525 63.983 62.300 0.263 0.000 1.036 365 V CB -0.410 31.631 31.823 0.363 0.000 0.664 365 V HN 0.147 nan 8.190 nan 0.000 0.453 366 K N -0.209 120.115 120.400 -0.125 0.000 2.097 366 K HA -0.243 4.113 4.320 0.061 0.000 0.206 366 K C 2.244 178.703 176.600 -0.235 0.000 1.049 366 K CA 1.681 57.619 56.287 -0.583 0.000 0.933 366 K CB -0.092 31.791 32.500 -1.029 0.000 0.717 366 K HN 0.501 nan 8.250 nan 0.000 0.442 367 Q N 0.524 120.252 119.800 -0.120 0.000 2.016 367 Q HA -0.144 4.233 4.340 0.061 0.000 0.200 367 Q C 2.226 177.953 176.000 -0.456 0.000 0.978 367 Q CA 1.667 57.396 55.803 -0.124 0.000 0.833 367 Q CB -0.126 28.700 28.738 0.147 0.000 0.895 367 Q HN 0.366 nan 8.270 nan 0.000 0.427 368 L N 0.327 121.213 121.223 -0.562 0.000 2.042 368 L HA -0.225 4.151 4.340 0.061 0.000 0.210 368 L C 2.095 178.812 176.870 -0.254 0.000 1.076 368 L CA 1.498 55.914 54.840 -0.707 0.000 0.749 368 L CB -0.399 41.413 42.059 -0.412 0.000 0.893 368 L HN 0.280 nan 8.230 nan 0.000 0.432 369 T N -0.411 114.183 114.554 0.066 0.000 2.720 369 T HA -0.237 4.150 4.350 0.061 0.000 0.268 369 T C 1.620 176.326 174.700 0.009 0.000 1.037 369 T CA 1.903 64.166 62.100 0.273 0.000 1.144 369 T CB -0.288 68.783 68.868 0.339 0.000 0.864 369 T HN 0.500 nan 8.240 nan 0.000 0.444 370 E N 1.057 121.151 120.200 -0.177 0.000 2.051 370 E HA -0.075 4.312 4.350 0.061 0.000 0.192 370 E C 2.679 178.962 176.600 -0.528 0.000 0.991 370 E CA 0.967 57.190 56.400 -0.295 0.000 0.799 370 E CB -0.302 29.257 29.700 -0.235 0.000 0.748 370 E HN 0.486 nan 8.360 nan 0.000 0.449 371 A N 1.234 123.549 122.820 -0.841 0.000 1.873 371 A HA -0.219 4.138 4.320 0.061 0.000 0.218 371 A C 2.564 179.832 177.584 -0.526 0.000 1.193 371 A CA 1.693 53.156 52.037 -0.956 0.000 0.629 371 A CB -1.066 17.400 19.000 -0.890 0.000 0.826 371 A HN 0.142 nan 8.150 nan 0.000 0.447 372 V N 0.156 119.821 119.914 -0.414 0.000 2.250 372 V HA -0.409 3.748 4.120 0.061 0.000 0.250 372 V C 2.731 178.728 176.094 -0.162 0.000 1.060 372 V CA 2.620 64.659 62.300 -0.434 0.000 1.030 372 V CB -0.963 30.665 31.823 -0.325 0.000 0.643 372 V HN 0.728 nan 8.190 nan 0.000 0.445 373 Q N -0.824 118.914 119.800 -0.104 0.000 2.170 373 Q HA -0.194 4.183 4.340 0.061 0.000 0.203 373 Q C 2.345 178.382 176.000 0.063 0.000 0.976 373 Q CA 1.107 56.924 55.803 0.023 0.000 0.858 373 Q CB -0.224 28.335 28.738 -0.298 0.000 0.907 373 Q HN 0.548 nan 8.270 nan 0.000 0.433 374 K N 0.834 121.159 120.400 -0.125 0.000 1.985 374 K HA -0.121 4.236 4.320 0.061 0.000 0.210 374 K C 2.172 178.659 176.600 -0.189 0.000 1.047 374 K CA 1.058 57.254 56.287 -0.153 0.000 0.932 374 K CB -0.448 31.910 32.500 -0.236 0.000 0.716 374 K HN 0.233 nan 8.250 nan 0.000 0.439 375 I N 1.584 122.002 120.570 -0.253 0.000 2.113 375 I HA -0.274 3.933 4.170 0.061 0.000 0.242 375 I C 2.229 178.319 176.117 -0.046 0.000 1.064 375 I CA 1.738 62.902 61.300 -0.227 0.000 1.320 375 I CB -2.159 35.813 38.000 -0.046 0.000 1.028 375 I HN 0.142 nan 8.210 nan 0.000 0.406 376 T N 0.576 115.193 114.554 0.105 0.000 2.759 376 T HA -0.164 4.223 4.350 0.061 0.000 0.269 376 T C 1.963 176.533 174.700 -0.217 0.000 1.042 376 T CA 2.139 64.200 62.100 -0.065 0.000 1.140 376 T CB -0.439 68.344 68.868 -0.143 0.000 0.864 376 T HN 0.397 nan 8.240 nan 0.000 0.455 377 T N 2.022 116.579 114.554 0.005 0.000 2.668 377 T HA -0.075 4.312 4.350 0.061 0.000 0.262 377 T C 2.015 176.710 174.700 -0.008 0.000 1.045 377 T CA 1.177 63.349 62.100 0.120 0.000 1.152 377 T CB -0.282 68.741 68.868 0.259 0.000 0.864 377 T HN 0.554 nan 8.240 nan 0.000 0.419 378 E N 1.112 121.209 120.200 -0.171 0.000 2.097 378 E HA -0.167 4.219 4.350 0.061 0.000 0.196 378 E C 2.423 178.942 176.600 -0.136 0.000 1.000 378 E CA 1.312 57.519 56.400 -0.322 0.000 0.804 378 E CB -0.355 28.925 29.700 -0.698 0.000 0.740 378 E HN 0.298 nan 8.360 nan 0.000 0.454 379 S N 0.529 116.172 115.700 -0.095 0.000 2.383 379 S HA -0.138 4.368 4.470 0.061 0.000 0.229 379 S C 1.981 176.503 174.600 -0.130 0.000 1.030 379 S CA 0.802 59.026 58.200 0.040 0.000 1.002 379 S CB -0.167 63.015 63.200 -0.030 0.000 0.829 379 S HN 0.194 nan 8.310 nan 0.000 0.467 380 I N 0.604 120.988 120.570 -0.310 0.000 2.252 380 I HA -0.108 4.098 4.170 0.061 0.000 0.245 380 I C 2.193 178.031 176.117 -0.466 0.000 1.102 380 I CA 0.836 61.818 61.300 -0.530 0.000 1.385 380 I CB -0.378 37.207 38.000 -0.691 0.000 1.064 380 I HN 0.176 nan 8.210 nan 0.000 0.414 381 V N 1.359 121.095 119.914 -0.296 0.000 2.343 381 V HA -0.247 3.909 4.120 0.061 0.000 0.247 381 V C 2.320 178.262 176.094 -0.253 0.000 1.051 381 V CA 1.471 63.642 62.300 -0.215 0.000 1.036 381 V CB -0.423 31.421 31.823 0.034 0.000 0.654 381 V HN 0.304 nan 8.190 nan 0.000 0.451 382 I N -1.712 118.590 120.570 -0.447 0.000 2.333 382 I HA -0.110 4.097 4.170 0.061 0.000 0.246 382 I C 1.842 177.352 176.117 -1.012 0.000 1.106 382 I CA 1.678 62.437 61.300 -0.901 0.000 1.411 382 I CB -0.722 36.174 38.000 -1.840 0.000 1.082 382 I HN 0.467 nan 8.210 nan 0.000 0.420 383 W N 0.379 121.400 121.300 -0.466 0.000 2.324 383 W HA 0.394 5.088 4.660 0.058 0.000 0.316 383 W C 1.117 177.028 176.519 -1.014 0.000 0.927 383 W CA 0.226 57.143 57.345 -0.713 0.000 1.438 383 W CB -0.282 28.616 29.460 -0.937 0.000 1.085 383 W HN 0.303 nan 8.180 nan 0.000 0.532 384 G N 2.995 111.165 108.800 -1.049 0.000 2.356 384 G HA2 -0.328 3.669 3.960 0.061 0.000 0.296 384 G HA3 -0.328 3.669 3.960 0.061 0.000 0.296 384 G C -0.064 174.653 174.900 -0.305 0.000 1.022 384 G CA 1.288 45.909 45.100 -0.798 0.000 0.961 384 G HN 0.268 nan 8.290 nan 0.000 0.510 385 K N -0.697 119.522 120.400 -0.301 0.000 2.542 385 K HA 0.554 4.910 4.320 0.061 0.000 0.259 385 K C -0.329 176.130 176.600 -0.235 0.000 0.932 385 K CA -0.648 55.558 56.287 -0.136 0.000 0.820 385 K CB 1.322 33.812 32.500 -0.017 0.000 1.345 385 K HN 0.035 nan 8.250 nan 0.000 0.432 386 T N 4.124 118.568 114.554 -0.184 0.000 2.909 386 T HA 0.439 4.825 4.350 0.061 0.000 0.286 386 T C -2.421 172.160 174.700 -0.199 0.000 1.002 386 T CA -1.173 60.792 62.100 -0.225 0.000 1.074 386 T CB 1.301 70.074 68.868 -0.159 0.000 0.984 386 T HN 0.464 nan 8.240 nan 0.000 0.495 387 P HA 0.367 nan 4.420 nan 0.000 0.283 387 P C -1.231 175.839 177.300 -0.384 0.000 1.278 387 P CA -0.826 62.024 63.100 -0.418 0.000 0.834 387 P CB 1.079 32.393 31.700 -0.644 0.000 1.150 388 K N 1.375 121.528 120.400 -0.411 0.000 2.293 388 K HA 0.361 4.717 4.320 0.061 0.000 0.267 388 K C -1.046 175.362 176.600 -0.320 0.000 1.010 388 K CA -0.564 55.571 56.287 -0.254 0.000 0.875 388 K CB 0.227 32.611 32.500 -0.193 0.000 1.106 388 K HN 0.220 nan 8.250 nan 0.000 0.450 389 F N 2.734 122.623 119.950 -0.101 0.000 2.384 389 F HA 0.266 4.831 4.527 0.064 0.000 0.338 389 F C 0.697 176.417 175.800 -0.133 0.000 1.103 389 F CA -0.232 57.705 58.000 -0.105 0.000 1.157 389 F CB 1.154 40.114 39.000 -0.068 0.000 1.167 389 F HN 0.288 nan 8.300 nan 0.000 0.529 390 K N 4.612 125.055 120.400 0.072 0.000 2.423 390 K HA 0.363 4.720 4.320 0.061 0.000 0.234 390 K C -0.994 175.627 176.600 0.035 0.000 1.051 390 K CA -0.260 56.038 56.287 0.017 0.000 1.021 390 K CB 0.521 33.038 32.500 0.030 0.000 1.474 390 K HN 0.474 nan 8.250 nan 0.000 0.474 391 L N 4.170 125.345 121.223 -0.080 0.000 2.416 391 L HA 0.198 4.575 4.340 0.061 0.000 0.272 391 L C -1.654 175.216 176.870 0.000 0.000 1.161 391 L CA -1.636 53.119 54.840 -0.141 0.000 0.845 391 L CB 0.216 41.967 42.059 -0.514 0.000 1.119 391 L HN 0.299 nan 8.230 nan 0.000 0.464 392 P HA 0.329 nan 4.420 nan 0.000 0.214 392 P C -0.635 176.748 177.300 0.137 0.000 1.849 392 P CA 0.147 63.327 63.100 0.132 0.000 1.022 392 P CB 0.674 32.494 31.700 0.200 0.000 1.912 393 I N -0.766 119.861 120.570 0.095 0.000 3.021 393 I HA 0.285 4.492 4.170 0.061 0.000 0.305 393 I C -1.690 174.442 176.117 0.024 0.000 1.434 393 I CA -1.145 60.213 61.300 0.097 0.000 0.969 393 I CB 2.966 41.044 38.000 0.130 0.000 1.328 393 I HN -0.106 nan 8.210 nan 0.000 0.486 394 Q N 4.255 124.048 119.800 -0.011 0.000 2.267 394 Q HA 0.190 4.567 4.340 0.061 0.000 0.255 394 Q C 0.839 176.621 176.000 -0.364 0.000 0.923 394 Q CA -0.149 55.578 55.803 -0.127 0.000 0.925 394 Q CB 1.753 30.462 28.738 -0.048 0.000 1.195 394 Q HN 0.620 nan 8.270 nan 0.000 0.417 395 K N 3.021 122.962 120.400 -0.765 0.000 2.023 395 K HA -0.346 4.011 4.320 0.061 0.000 0.227 395 K C 1.022 177.308 176.600 -0.523 0.000 1.054 395 K CA 2.624 58.169 56.287 -1.237 0.000 0.977 395 K CB 0.038 32.017 32.500 -0.869 0.000 0.733 395 K HN 0.686 nan 8.250 nan 0.000 0.451 396 E N -0.334 119.693 120.200 -0.288 0.000 2.209 396 E HA -0.132 4.255 4.350 0.061 0.000 0.196 396 E C 1.894 178.397 176.600 -0.161 0.000 0.993 396 E CA 1.851 58.138 56.400 -0.188 0.000 0.819 396 E CB -0.117 29.503 29.700 -0.134 0.000 0.745 396 E HN 0.469 nan 8.360 nan 0.000 0.477 397 T N -0.153 114.360 114.554 -0.068 0.000 2.812 397 T HA -0.125 4.262 4.350 0.061 0.000 0.264 397 T C 1.276 176.092 174.700 0.195 0.000 1.042 397 T CA 0.947 63.110 62.100 0.104 0.000 1.140 397 T CB -0.245 68.736 68.868 0.189 0.000 0.870 397 T HN 0.432 nan 8.240 nan 0.000 0.445 398 W N 2.205 123.450 121.300 -0.092 0.000 2.444 398 W HA -0.012 4.686 4.660 0.063 0.000 0.308 398 W C 1.709 178.198 176.519 -0.050 0.000 1.183 398 W CA 0.814 58.130 57.345 -0.048 0.000 1.340 398 W CB -0.236 29.125 29.460 -0.166 0.000 1.138 398 W HN 0.311 nan 8.180 nan 0.000 0.510 399 E N 0.056 120.259 120.200 0.005 0.000 2.171 399 E HA -0.212 4.174 4.350 0.061 0.000 0.197 399 E C 2.024 178.419 176.600 -0.341 0.000 0.997 399 E CA 2.119 58.468 56.400 -0.084 0.000 0.810 399 E CB -0.231 29.421 29.700 -0.080 0.000 0.738 399 E HN 0.206 nan 8.360 nan 0.000 0.467 400 T N -0.363 113.906 114.554 -0.474 0.000 2.770 400 T HA -0.110 4.277 4.350 0.061 0.000 0.263 400 T C 1.104 175.206 174.700 -0.997 0.000 1.039 400 T CA 0.871 62.453 62.100 -0.865 0.000 1.142 400 T CB -0.040 68.020 68.868 -1.346 0.000 0.868 400 T HN 0.347 nan 8.240 nan 0.000 0.435 401 W N 0.583 121.694 121.300 -0.315 0.000 3.058 401 W HA 0.235 4.931 4.660 0.060 0.000 0.306 401 W C 2.001 178.153 176.519 -0.612 0.000 1.188 401 W CA -0.888 56.198 57.345 -0.432 0.000 1.651 401 W CB -0.615 28.686 29.460 -0.264 0.000 1.051 401 W HN 0.440 nan 8.180 nan 0.000 0.592 402 W N 2.355 123.220 121.300 -0.725 0.000 2.308 402 W HA -0.302 4.396 4.660 0.063 0.000 0.301 402 W C 1.638 177.875 176.519 -0.470 0.000 1.220 402 W CA 2.655 59.422 57.345 -0.964 0.000 1.240 402 W CB -1.698 26.513 29.460 -2.083 0.000 1.142 402 W HN -0.118 nan 8.180 nan 0.000 0.521 403 T N -1.011 112.670 114.554 -1.454 0.000 2.867 403 T HA -0.182 4.204 4.350 0.061 0.000 0.268 403 T C 1.554 176.025 174.700 -0.382 0.000 1.057 403 T CA 1.526 62.951 62.100 -1.125 0.000 1.136 403 T CB -0.533 67.587 68.868 -1.247 0.000 0.874 403 T HN 0.103 nan 8.240 nan 0.000 0.466 404 E N 0.770 120.706 120.200 -0.439 0.000 2.204 404 E HA -0.081 4.306 4.350 0.061 0.000 0.195 404 E C 1.396 177.879 176.600 -0.195 0.000 0.990 404 E CA 1.097 57.298 56.400 -0.331 0.000 0.821 404 E CB -0.228 29.167 29.700 -0.508 0.000 0.750 404 E HN 0.744 nan 8.360 nan 0.000 0.477 405 Y N -1.603 118.741 120.300 0.073 0.000 2.458 405 Y HA 0.107 4.693 4.550 0.061 0.000 0.254 405 Y C 1.073 177.073 175.900 0.167 0.000 1.120 405 Y CA -1.128 57.032 58.100 0.101 0.000 1.282 405 Y CB -0.312 38.199 38.460 0.084 0.000 1.109 405 Y HN 0.048 nan 8.280 nan 0.000 0.526 406 W N 3.239 124.618 121.300 0.132 0.000 2.223 406 W HA 0.039 4.735 4.660 0.060 0.000 0.334 406 W C 0.232 176.812 176.519 0.100 0.000 1.334 406 W CA 0.914 58.367 57.345 0.181 0.000 1.246 406 W CB 0.698 30.334 29.460 0.294 0.000 1.184 406 W HN 0.168 nan 8.180 nan 0.000 0.563 407 Q N 3.244 122.810 119.800 -0.391 0.000 2.057 407 Q HA 0.200 4.577 4.340 0.061 0.000 0.216 407 Q C -0.013 175.681 176.000 -0.510 0.000 0.788 407 Q CA -0.174 55.435 55.803 -0.323 0.000 1.053 407 Q CB 1.241 29.837 28.738 -0.237 0.000 1.210 407 Q HN 0.401 nan 8.270 nan 0.000 0.455 408 A N 0.191 122.482 122.820 -0.881 0.000 2.261 408 A HA 0.520 4.876 4.320 0.061 0.000 0.323 408 A C 0.993 178.324 177.584 -0.421 0.000 1.107 408 A CA -0.156 51.341 52.037 -0.899 0.000 0.883 408 A CB 0.673 18.671 19.000 -1.671 0.000 1.251 408 A HN 0.165 nan 8.150 nan 0.000 0.502 409 T N -2.599 111.630 114.554 -0.540 0.000 3.040 409 T HA 0.192 4.579 4.350 0.061 0.000 0.250 409 T C 0.352 175.108 174.700 0.093 0.000 1.058 409 T CA -0.092 61.919 62.100 -0.148 0.000 0.988 409 T CB -0.302 68.490 68.868 -0.126 0.000 0.993 409 T HN 0.672 nan 8.240 nan 0.000 0.519 410 W N 0.898 122.444 121.300 0.409 0.000 2.655 410 W HA 0.757 5.455 4.660 0.064 0.000 0.358 410 W C -1.187 175.669 176.519 0.563 0.000 1.100 410 W CA -1.586 55.999 57.345 0.399 0.000 1.195 410 W CB 0.678 30.351 29.460 0.355 0.000 1.403 410 W HN -0.208 nan 8.180 nan 0.000 0.589 411 I N 2.860 123.867 120.570 0.728 0.000 2.499 411 I HA 0.281 4.488 4.170 0.061 0.000 0.288 411 I C -2.146 174.080 176.117 0.182 0.000 1.048 411 I CA -2.899 58.645 61.300 0.406 0.000 1.062 411 I CB 1.257 39.272 38.000 0.026 0.000 1.238 411 I HN 0.055 nan 8.210 nan 0.000 0.426 412 P HA 0.283 nan 4.420 nan 0.000 0.279 412 P C -0.534 176.601 177.300 -0.276 0.000 1.252 412 P CA -0.442 62.700 63.100 0.071 0.000 0.811 412 P CB 1.490 33.421 31.700 0.385 0.000 1.035 413 E N 2.048 122.127 120.200 -0.202 0.000 2.223 413 E HA 0.308 4.694 4.350 0.061 0.000 0.282 413 E C -1.141 175.335 176.600 -0.208 0.000 1.046 413 E CA -0.224 55.969 56.400 -0.345 0.000 0.857 413 E CB -0.041 29.545 29.700 -0.190 0.000 1.055 413 E HN 0.316 nan 8.360 nan 0.000 0.409 414 W N 3.292 124.477 121.300 -0.193 0.000 2.799 414 W HA 0.675 5.370 4.660 0.060 0.000 0.349 414 W C -0.805 175.412 176.519 -0.504 0.000 1.100 414 W CA -1.358 55.802 57.345 -0.309 0.000 1.174 414 W CB 0.082 29.276 29.460 -0.443 0.000 1.427 414 W HN 0.522 nan 8.180 nan 0.000 0.547 415 E N 0.745 120.807 120.200 -0.230 0.000 2.367 415 E HA 0.642 5.029 4.350 0.061 0.000 0.273 415 E C -1.849 174.443 176.600 -0.513 0.000 0.903 415 E CA -0.935 55.235 56.400 -0.384 0.000 0.764 415 E CB 1.953 31.568 29.700 -0.140 0.000 1.252 415 E HN 0.267 nan 8.360 nan 0.000 0.446 416 F N 1.411 121.347 119.950 -0.023 0.000 2.415 416 F HA 0.527 5.091 4.527 0.062 0.000 0.348 416 F C -0.078 175.711 175.800 -0.019 0.000 1.119 416 F CA -0.905 57.051 58.000 -0.072 0.000 1.069 416 F CB 1.826 40.776 39.000 -0.083 0.000 1.124 416 F HN 0.276 nan 8.300 nan 0.000 0.472 417 V N 3.628 123.638 119.914 0.160 0.000 2.760 417 V HA 0.566 4.723 4.120 0.061 0.000 0.309 417 V C -1.517 174.643 176.094 0.110 0.000 1.077 417 V CA -0.536 61.834 62.300 0.118 0.000 0.910 417 V CB 2.130 34.009 31.823 0.092 0.000 1.008 417 V HN 0.793 nan 8.190 nan 0.000 0.424 418 N N 3.323 122.081 118.700 0.096 0.000 2.443 418 N HA 0.689 5.466 4.740 0.061 0.000 0.269 418 N C -0.972 174.587 175.510 0.083 0.000 0.985 418 N CA 0.142 53.242 53.050 0.085 0.000 0.921 418 N CB 1.856 40.385 38.487 0.069 0.000 1.195 418 N HN 0.870 nan 8.380 nan 0.000 0.492 419 T N 1.683 116.291 114.554 0.090 0.000 3.186 419 T HA 0.463 4.850 4.350 0.061 0.000 0.320 419 T C -2.426 172.327 174.700 0.088 0.000 0.955 419 T CA -1.215 60.941 62.100 0.094 0.000 1.030 419 T CB 1.031 69.970 68.868 0.118 0.000 1.013 419 T HN 0.393 nan 8.240 nan 0.000 0.454 420 P HA 0.219 nan 4.420 nan 0.000 0.270 420 P C -2.564 174.756 177.300 0.035 0.000 1.216 420 P CA -0.888 62.233 63.100 0.036 0.000 0.788 420 P CB -0.298 31.418 31.700 0.027 0.000 0.883 421 P HA 0.225 nan 4.420 nan 0.000 0.283 421 P C -0.247 176.966 177.300 -0.145 0.000 1.412 421 P CA -0.245 62.771 63.100 -0.140 0.000 0.912 421 P CB 0.163 31.726 31.700 -0.229 0.000 1.132 422 L N 1.130 122.344 121.223 -0.015 0.000 2.395 422 L HA 0.391 4.768 4.340 0.061 0.000 0.269 422 L C 0.866 177.665 176.870 -0.119 0.000 1.133 422 L CA -1.149 53.723 54.840 0.053 0.000 0.812 422 L CB 0.149 42.338 42.059 0.218 0.000 1.125 422 L HN 0.013 nan 8.230 nan 0.000 0.452 423 V N 1.564 121.434 119.914 -0.074 0.000 5.359 423 V HA -0.346 3.811 4.120 0.061 0.000 0.278 423 V C 1.174 176.906 176.094 -0.603 0.000 0.622 423 V CA 1.392 63.590 62.300 -0.170 0.000 0.649 423 V CB -2.580 29.322 31.823 0.131 0.000 0.408 423 V HN 1.032 nan 8.190 nan 0.000 0.918 424 K N -1.653 118.453 120.400 -0.491 0.000 2.020 424 K HA -0.245 4.112 4.320 0.061 0.000 0.142 424 K C 0.366 176.346 176.600 -1.033 0.000 1.458 424 K CA 1.672 57.635 56.287 -0.540 0.000 0.544 424 K CB -0.490 31.800 32.500 -0.349 0.000 0.566 424 K HN 0.465 nan 8.250 nan 0.000 0.927 425 L N 1.805 122.539 121.223 -0.814 0.000 2.337 425 L HA 0.223 4.599 4.340 0.061 0.000 0.269 425 L C 1.530 178.079 176.870 -0.534 0.000 1.018 425 L CA -0.673 53.615 54.840 -0.921 0.000 0.876 425 L CB 0.540 42.367 42.059 -0.387 0.000 1.236 425 L HN 0.563 nan 8.230 nan 0.000 0.436 426 W N 0.908 122.073 121.300 -0.224 0.000 2.308 426 W HA -0.263 4.439 4.660 0.070 0.000 0.301 426 W C 1.379 177.854 176.519 -0.073 0.000 1.220 426 W CA 0.662 57.884 57.345 -0.204 0.000 1.240 426 W CB -0.737 28.444 29.460 -0.466 0.000 1.142 426 W HN 0.578 nan 8.180 nan 0.000 0.521 427 Y N 0.238 120.787 120.300 0.415 0.000 2.373 427 Y HA -0.024 4.560 4.550 0.056 0.000 0.293 427 Y C 2.110 178.105 175.900 0.158 0.000 1.129 427 Y CA 1.147 59.425 58.100 0.297 0.000 1.226 427 Y CB -0.674 37.969 38.460 0.306 0.000 1.000 427 Y HN -0.075 nan 8.280 nan 0.000 0.549 428 Q N 0.000 119.933 119.800 0.221 0.000 2.315 428 Q HA 0.000 4.377 4.340 0.061 0.000 0.214 428 Q CA 0.000 55.873 55.803 0.116 0.000 1.022 428 Q CB 0.000 28.768 28.738 0.051 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481