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 3inm_1_A DATA FIRST_RESID 4 DATA SEQUENCE KISGGSVVEM QGDEMTRIIW ELIKEKLIFP YVELDLHSYD LGIENRDATN DATA SEQUENCE DQVTKDAAEA IKKHNVGVKC ATITPDEKRV EEFKLKQMWK SPNGTIRNIL DATA SEQUENCE GGTVFREAII CKNIPRLVSG WVKPIIIGHH AYGDQYRATD FVVPGPGKVE DATA SEQUENCE ITYTPSDGTQ KVTYLVHNFE EGGGVAMGMY NQDKSIEDFA HSSFQMALSK DATA SEQUENCE GWPLYLSTKN TILKKYDGRF KDIFQEIYDK QYKSQFEAQK IWYEHRLIDD DATA SEQUENCE MVAQAMKSEG GFIWACKNYD GDVQSDSVAQ GYGSLGMMTS VLVCPDGKTV DATA SEQUENCE EAEAAHGTVT RHYRMYQKGQ ETSTNPIASI FAWTRGLAHR AKLDNNKELA DATA SEQUENCE FFANALEEVS IETIEAGFMT KDLAACIKGL PNVQRSDYLN TFEFMDKLGE DATA SEQUENCE NLKIKLA 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.564 176.600 -0.059 0.000 0.988 4 K CA 0.000 56.246 56.287 -0.068 0.000 0.838 4 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 5 I N 2.079 122.608 120.570 -0.069 0.000 2.575 5 I HA 0.096 4.269 4.170 0.005 0.000 0.285 5 I C -0.078 176.001 176.117 -0.065 0.000 1.085 5 I CA -0.228 61.034 61.300 -0.063 0.000 1.403 5 I CB 1.570 39.520 38.000 -0.085 0.000 1.409 5 I HN 0.135 nan 8.210 nan 0.000 0.557 6 S N 4.310 119.986 115.700 -0.040 0.000 2.399 6 S HA 0.335 4.808 4.470 0.005 0.000 0.301 6 S C 0.963 175.552 174.600 -0.017 0.000 1.093 6 S CA -0.404 57.777 58.200 -0.032 0.000 1.077 6 S CB 0.762 63.948 63.200 -0.023 0.000 0.980 6 S HN 0.830 nan 8.310 nan 0.000 0.494 7 G N 3.122 111.912 108.800 -0.017 0.000 2.411 7 G HA2 0.470 4.433 3.960 0.005 0.000 0.213 7 G HA3 0.470 4.433 3.960 0.005 0.000 0.213 7 G C 0.878 175.794 174.900 0.027 0.000 1.166 7 G CA 0.430 45.537 45.100 0.012 0.000 0.802 7 G HN 1.377 nan 8.290 nan 0.000 0.533 8 G N -0.991 107.819 108.800 0.017 0.000 2.500 8 G HA2 0.081 4.044 3.960 0.005 0.000 0.209 8 G HA3 0.081 4.044 3.960 0.005 0.000 0.209 8 G C -0.333 174.584 174.900 0.028 0.000 1.283 8 G CA -0.131 44.986 45.100 0.029 0.000 0.960 8 G HN 0.971 nan 8.290 nan 0.000 0.528 9 S N -0.695 115.035 115.700 0.050 0.000 2.457 9 S HA 0.680 5.153 4.470 0.005 0.000 0.289 9 S C -0.107 174.533 174.600 0.068 0.000 1.163 9 S CA -0.532 57.680 58.200 0.020 0.000 1.078 9 S CB 1.875 65.077 63.200 0.004 0.000 0.987 9 S HN 1.237 nan 8.310 nan 0.000 0.482 10 V N 3.421 123.383 119.914 0.078 0.000 2.638 10 V HA 0.351 4.473 4.120 0.005 0.000 0.306 10 V C -0.385 175.807 176.094 0.163 0.000 1.052 10 V CA -0.812 61.562 62.300 0.125 0.000 0.885 10 V CB 2.090 33.997 31.823 0.139 0.000 0.999 10 V HN 0.732 nan 8.190 nan 0.000 0.424 11 V N 4.465 124.480 119.914 0.169 0.000 2.432 11 V HA 0.355 4.478 4.120 0.005 0.000 0.271 11 V C 0.237 176.420 176.094 0.148 0.000 1.046 11 V CA -0.199 62.227 62.300 0.211 0.000 0.945 11 V CB 1.221 33.156 31.823 0.188 0.000 0.992 11 V HN 0.947 nan 8.190 nan 0.000 0.471 12 E N 5.648 125.976 120.200 0.215 0.000 2.199 12 E HA 0.598 4.951 4.350 0.005 0.000 0.269 12 E C -1.359 175.371 176.600 0.217 0.000 0.899 12 E CA -0.886 55.637 56.400 0.205 0.000 0.772 12 E CB 1.730 31.630 29.700 0.333 0.000 1.155 12 E HN 0.639 nan 8.360 nan 0.000 0.408 13 M N 3.489 123.144 119.600 0.091 0.000 2.125 13 M HA 0.240 4.723 4.480 0.005 0.000 0.321 13 M C -0.676 175.470 176.300 -0.257 0.000 0.983 13 M CA -0.364 54.916 55.300 -0.032 0.000 0.934 13 M CB 2.004 34.537 32.600 -0.112 0.000 1.542 13 M HN 0.420 nan 8.290 nan 0.000 0.424 14 Q N 0.985 120.689 119.800 -0.161 0.000 2.340 14 Q HA 0.615 4.958 4.340 0.005 0.000 0.249 14 Q C 0.459 176.258 176.000 -0.336 0.000 0.957 14 Q CA -0.151 55.462 55.803 -0.317 0.000 0.882 14 Q CB 1.420 30.129 28.738 -0.048 0.000 1.235 14 Q HN 0.886 nan 8.270 nan 0.000 0.439 15 G N 1.014 109.569 108.800 -0.408 0.000 3.234 15 G HA2 0.356 4.319 3.960 0.005 0.000 0.159 15 G HA3 0.356 4.319 3.960 0.005 0.000 0.159 15 G C -0.984 173.788 174.900 -0.214 0.000 1.175 15 G CA -0.407 44.511 45.100 -0.304 0.000 0.900 15 G HN 0.560 nan 8.290 nan 0.000 0.621 16 D N -0.395 119.881 120.400 -0.206 0.000 2.477 16 D HA 0.424 5.067 4.640 0.005 0.000 0.234 16 D C -0.044 176.094 176.300 -0.270 0.000 1.048 16 D CA -0.177 53.696 54.000 -0.211 0.000 0.959 16 D CB 2.489 43.164 40.800 -0.208 0.000 1.408 16 D HN 0.587 nan 8.370 nan 0.000 0.496 17 E N -0.562 119.362 120.200 -0.460 0.000 3.374 17 E HA -0.343 4.010 4.350 0.005 0.000 0.319 17 E C 0.965 177.213 176.600 -0.587 0.000 1.492 17 E CA 0.983 56.769 56.400 -1.024 0.000 1.899 17 E CB -0.715 28.487 29.700 -0.830 0.000 1.894 17 E HN 0.391 nan 8.360 nan 0.000 0.484 18 M N 1.041 120.467 119.600 -0.290 0.000 2.159 18 M HA -0.126 4.357 4.480 0.005 0.000 0.263 18 M C 2.278 178.568 176.300 -0.016 0.000 1.063 18 M CA 2.808 58.116 55.300 0.014 0.000 1.110 18 M CB -0.304 32.366 32.600 0.117 0.000 1.374 18 M HN 0.592 nan 8.290 nan 0.000 0.411 19 T N -2.026 112.516 114.554 -0.020 0.000 2.821 19 T HA -0.154 4.199 4.350 0.005 0.000 0.267 19 T C 1.968 176.718 174.700 0.084 0.000 1.046 19 T CA 1.372 63.508 62.100 0.059 0.000 1.139 19 T CB -0.598 68.301 68.868 0.051 0.000 0.871 19 T HN 0.486 nan 8.240 nan 0.000 0.454 20 R N 0.747 121.243 120.500 -0.006 0.000 2.080 20 R HA -0.103 4.240 4.340 0.005 0.000 0.236 20 R C 2.256 178.636 176.300 0.132 0.000 1.137 20 R CA 1.578 57.706 56.100 0.047 0.000 0.943 20 R CB -0.459 29.827 30.300 -0.023 0.000 0.846 20 R HN 0.282 nan 8.270 nan 0.000 0.431 21 I N 1.413 122.021 120.570 0.063 0.000 2.113 21 I HA -0.327 3.846 4.170 0.005 0.000 0.242 21 I C 2.478 178.614 176.117 0.032 0.000 1.064 21 I CA 1.543 62.865 61.300 0.037 0.000 1.320 21 I CB -1.097 36.833 38.000 -0.117 0.000 1.028 21 I HN 0.307 nan 8.210 nan 0.000 0.406 22 I N -0.929 119.661 120.570 0.032 0.000 2.286 22 I HA -0.324 3.848 4.170 0.005 0.000 0.248 22 I C 2.600 178.799 176.117 0.137 0.000 1.115 22 I CA 1.125 62.448 61.300 0.038 0.000 1.392 22 I CB -0.341 37.705 38.000 0.076 0.000 1.065 22 I HN 0.427 nan 8.210 nan 0.000 0.418 23 W N 2.108 123.423 121.300 0.026 0.000 2.335 23 W HA -0.225 4.438 4.660 0.005 0.000 0.311 23 W C 2.342 178.864 176.519 0.005 0.000 1.213 23 W CA 1.482 58.880 57.345 0.089 0.000 1.274 23 W CB 0.006 29.541 29.460 0.123 0.000 1.148 23 W HN 0.132 nan 8.180 nan 0.000 0.498 24 E N 0.573 120.878 120.200 0.174 0.000 2.077 24 E HA -0.196 4.157 4.350 0.005 0.000 0.193 24 E C 2.274 178.816 176.600 -0.097 0.000 0.989 24 E CA 1.278 57.695 56.400 0.029 0.000 0.800 24 E CB -0.999 28.768 29.700 0.113 0.000 0.746 24 E HN 0.413 nan 8.360 nan 0.000 0.452 25 L N 0.334 121.516 121.223 -0.068 0.000 2.079 25 L HA -0.182 4.161 4.340 0.005 0.000 0.210 25 L C 2.493 179.246 176.870 -0.196 0.000 1.081 25 L CA 0.961 55.739 54.840 -0.104 0.000 0.752 25 L CB -0.405 41.579 42.059 -0.125 0.000 0.896 25 L HN 0.109 nan 8.230 nan 0.000 0.433 26 I N -0.505 119.895 120.570 -0.284 0.000 2.406 26 I HA -0.226 3.947 4.170 0.005 0.000 0.249 26 I C 2.471 178.173 176.117 -0.692 0.000 1.122 26 I CA 1.093 62.135 61.300 -0.430 0.000 1.431 26 I CB -0.105 37.607 38.000 -0.480 0.000 1.087 26 I HN 0.159 nan 8.210 nan 0.000 0.424 27 K N 0.273 120.145 120.400 -0.879 0.000 2.057 27 K HA -0.190 4.133 4.320 0.005 0.000 0.206 27 K C 2.119 178.214 176.600 -0.841 0.000 1.050 27 K CA 1.049 56.595 56.287 -1.234 0.000 0.935 27 K CB -0.187 31.474 32.500 -1.400 0.000 0.715 27 K HN 0.186 nan 8.250 nan 0.000 0.439 28 E N 1.741 121.681 120.200 -0.433 0.000 2.085 28 E HA -0.211 4.142 4.350 0.005 0.000 0.194 28 E C 1.315 177.845 176.600 -0.116 0.000 0.994 28 E CA 1.671 57.971 56.400 -0.168 0.000 0.801 28 E CB 0.252 29.913 29.700 -0.065 0.000 0.743 28 E HN 0.308 nan 8.360 nan 0.000 0.453 29 K N -1.025 119.293 120.400 -0.137 0.000 2.365 29 K HA 0.217 4.539 4.320 0.005 0.000 0.195 29 K C 2.085 178.702 176.600 0.029 0.000 1.079 29 K CA 0.088 56.347 56.287 -0.047 0.000 0.979 29 K CB 0.520 32.995 32.500 -0.041 0.000 0.929 29 K HN 0.041 nan 8.250 nan 0.000 0.523 30 L N -0.116 121.075 121.223 -0.053 0.000 2.537 30 L HA 0.187 4.529 4.340 0.005 0.000 0.224 30 L C 1.244 178.249 176.870 0.225 0.000 1.065 30 L CA 0.052 54.925 54.840 0.055 0.000 0.860 30 L CB 0.191 42.184 42.059 -0.110 0.000 1.086 30 L HN 0.042 nan 8.230 nan 0.000 0.482 31 I N -0.991 119.548 120.570 -0.052 0.000 3.132 31 I HA 0.047 4.220 4.170 0.005 0.000 0.255 31 I C 2.069 178.220 176.117 0.058 0.000 1.118 31 I CA 0.882 62.133 61.300 -0.082 0.000 1.463 31 I CB -0.618 37.014 38.000 -0.613 0.000 1.356 31 I HN -0.061 nan 8.210 nan 0.000 0.463 32 F N 2.098 121.943 119.950 -0.175 0.000 2.146 32 F HA 0.003 4.533 4.527 0.005 0.000 0.298 32 F C -0.238 175.442 175.800 -0.200 0.000 1.096 32 F CA 0.780 58.673 58.000 -0.177 0.000 1.275 32 F CB -2.683 36.219 39.000 -0.164 0.000 1.008 32 F HN 0.137 nan 8.300 nan 0.000 0.480 33 P HA -0.180 nan 4.420 nan 0.000 0.221 33 P C 0.825 177.826 177.300 -0.499 0.000 1.145 33 P CA 1.765 64.648 63.100 -0.362 0.000 0.795 33 P CB -0.243 31.091 31.700 -0.610 0.000 0.775 34 Y N -2.032 118.213 120.300 -0.091 0.000 2.430 34 Y HA 0.265 4.818 4.550 0.005 0.000 0.248 34 Y C 0.865 176.566 175.900 -0.333 0.000 1.108 34 Y CA -0.135 57.850 58.100 -0.191 0.000 1.264 34 Y CB 0.806 39.160 38.460 -0.177 0.000 1.172 34 Y HN -0.349 nan 8.280 nan 0.000 0.520 35 V N 0.912 120.721 119.914 -0.175 0.000 2.777 35 V HA 0.232 4.355 4.120 0.005 0.000 0.306 35 V C -0.889 175.140 176.094 -0.108 0.000 1.112 35 V CA -1.356 60.820 62.300 -0.207 0.000 0.917 35 V CB 2.471 34.082 31.823 -0.353 0.000 1.018 35 V HN 0.137 nan 8.190 nan 0.000 0.426 36 E N 5.392 125.527 120.200 -0.109 0.000 2.151 36 E HA 0.781 5.134 4.350 0.005 0.000 0.275 36 E C -1.745 174.805 176.600 -0.084 0.000 0.936 36 E CA -0.526 55.801 56.400 -0.122 0.000 0.777 36 E CB 1.555 31.184 29.700 -0.118 0.000 1.108 36 E HN 0.623 nan 8.360 nan 0.000 0.401 37 L N 2.653 123.820 121.223 -0.094 0.000 2.350 37 L HA 0.362 4.705 4.340 0.005 0.000 0.260 37 L C -0.669 176.141 176.870 -0.099 0.000 1.015 37 L CA -1.259 53.551 54.840 -0.050 0.000 0.821 37 L CB 1.947 44.031 42.059 0.042 0.000 1.370 37 L HN 0.554 nan 8.230 nan 0.000 0.416 38 D N 2.270 122.606 120.400 -0.106 0.000 2.483 38 D HA 0.227 4.870 4.640 0.005 0.000 0.220 38 D C -0.844 175.270 176.300 -0.311 0.000 1.173 38 D CA 0.081 53.954 54.000 -0.212 0.000 0.964 38 D CB 0.363 41.060 40.800 -0.172 0.000 1.046 38 D HN 0.283 nan 8.370 nan 0.000 0.517 39 L N 4.898 125.965 121.223 -0.259 0.000 2.255 39 L HA 0.218 4.561 4.340 0.005 0.000 0.289 39 L C -0.147 176.571 176.870 -0.253 0.000 1.046 39 L CA -0.593 54.167 54.840 -0.133 0.000 0.816 39 L CB 0.629 42.708 42.059 0.034 0.000 1.197 39 L HN 0.395 nan 8.230 nan 0.000 0.427 40 H N 3.167 122.239 119.070 0.003 0.000 2.820 40 H HA 0.196 4.755 4.556 0.005 0.000 0.278 40 H C -0.291 175.070 175.328 0.054 0.000 1.142 40 H CA -0.332 55.722 56.048 0.010 0.000 1.346 40 H CB 0.872 30.677 29.762 0.071 0.000 1.438 40 H HN 0.416 nan 8.280 nan 0.000 0.473 41 S N 3.917 119.613 115.700 -0.007 0.000 2.438 41 S HA 0.307 4.780 4.470 0.005 0.000 0.293 41 S C -0.506 173.960 174.600 -0.224 0.000 1.141 41 S CA -0.561 57.654 58.200 0.024 0.000 1.080 41 S CB 0.292 63.529 63.200 0.062 0.000 0.978 41 S HN 0.369 nan 8.310 nan 0.000 0.479 42 Y N 1.150 121.496 120.300 0.076 0.000 2.364 42 Y HA 0.351 4.904 4.550 0.005 0.000 0.340 42 Y C 0.175 176.075 175.900 -0.001 0.000 0.975 42 Y CA -1.183 56.934 58.100 0.028 0.000 1.089 42 Y CB 1.062 39.525 38.460 0.006 0.000 1.192 42 Y HN 0.453 nan 8.280 nan 0.000 0.454 43 D N 3.899 124.359 120.400 0.099 0.000 2.428 43 D HA 0.220 4.863 4.640 0.005 0.000 0.221 43 D C 0.015 176.305 176.300 -0.017 0.000 1.123 43 D CA 0.039 54.054 54.000 0.025 0.000 0.869 43 D CB 0.725 41.529 40.800 0.006 0.000 1.032 43 D HN 0.617 nan 8.370 nan 0.000 0.506 44 L N 2.763 123.949 121.223 -0.063 0.000 2.653 44 L HA 0.291 4.634 4.340 0.005 0.000 0.231 44 L C 1.434 178.217 176.870 -0.145 0.000 1.153 44 L CA -0.449 54.325 54.840 -0.110 0.000 0.933 44 L CB -0.151 41.831 42.059 -0.129 0.000 1.175 44 L HN 0.346 nan 8.230 nan 0.000 0.473 45 G N 0.558 109.278 108.800 -0.133 0.000 2.368 45 G HA2 -0.053 3.910 3.960 0.005 0.000 0.233 45 G HA3 -0.053 3.910 3.960 0.005 0.000 0.233 45 G C 1.037 175.823 174.900 -0.190 0.000 1.267 45 G CA -0.180 44.828 45.100 -0.153 0.000 0.873 45 G HN 0.216 nan 8.290 nan 0.000 0.539 46 I N 0.973 121.382 120.570 -0.268 0.000 2.394 46 I HA -0.129 4.044 4.170 0.005 0.000 0.251 46 I C 2.338 178.295 176.117 -0.266 0.000 1.136 46 I CA 1.282 62.397 61.300 -0.309 0.000 1.425 46 I CB 0.066 37.779 38.000 -0.480 0.000 1.079 46 I HN 0.651 nan 8.210 nan 0.000 0.425 47 E N 0.677 120.733 120.200 -0.240 0.000 2.051 47 E HA -0.281 4.071 4.350 0.005 0.000 0.192 47 E C 1.839 178.387 176.600 -0.087 0.000 0.991 47 E CA 1.685 58.022 56.400 -0.105 0.000 0.799 47 E CB -0.365 29.317 29.700 -0.031 0.000 0.748 47 E HN 0.443 nan 8.360 nan 0.000 0.449 48 N N 0.293 118.932 118.700 -0.101 0.000 2.270 48 N HA -0.076 4.667 4.740 0.005 0.000 0.181 48 N C 1.534 176.949 175.510 -0.157 0.000 1.016 48 N CA 0.854 53.848 53.050 -0.093 0.000 0.870 48 N CB 0.147 38.594 38.487 -0.067 0.000 0.979 48 N HN -0.009 nan 8.380 nan 0.000 0.431 49 R N -0.215 120.152 120.500 -0.223 0.000 2.096 49 R HA -0.109 4.234 4.340 0.005 0.000 0.235 49 R C 1.385 177.336 176.300 -0.581 0.000 1.127 49 R CA 1.539 57.414 56.100 -0.376 0.000 0.968 49 R CB -0.320 29.752 30.300 -0.380 0.000 0.861 49 R HN 0.338 nan 8.270 nan 0.000 0.440 50 D N 0.187 120.355 120.400 -0.387 0.000 2.097 50 D HA -0.105 4.538 4.640 0.005 0.000 0.195 50 D C 1.761 177.997 176.300 -0.107 0.000 0.989 50 D CA 1.491 55.380 54.000 -0.186 0.000 0.827 50 D CB -0.021 40.854 40.800 0.124 0.000 0.966 50 D HN 0.220 nan 8.370 nan 0.000 0.456 51 A N -0.525 122.244 122.820 -0.085 0.000 1.940 51 A HA -0.149 4.174 4.320 0.005 0.000 0.219 51 A C 2.177 179.722 177.584 -0.067 0.000 1.176 51 A CA 2.476 54.489 52.037 -0.039 0.000 0.631 51 A CB -0.964 18.019 19.000 -0.028 0.000 0.814 51 A HN 0.437 nan 8.150 nan 0.000 0.446 52 T N -4.018 110.449 114.554 -0.145 0.000 3.145 52 T HA 0.159 4.512 4.350 0.005 0.000 0.255 52 T C 0.293 174.873 174.700 -0.200 0.000 1.039 52 T CA 0.210 62.232 62.100 -0.130 0.000 0.928 52 T CB -0.459 68.341 68.868 -0.114 0.000 1.029 52 T HN 0.456 nan 8.240 nan 0.000 0.554 53 N N 2.460 120.969 118.700 -0.318 0.000 2.725 53 N HA -0.205 4.537 4.740 0.005 0.000 0.251 53 N C 0.129 175.229 175.510 -0.682 0.000 1.031 53 N CA 1.191 53.951 53.050 -0.484 0.000 0.720 53 N CB -1.409 37.086 38.487 0.014 0.000 0.930 53 N HN 0.639 nan 8.380 nan 0.000 0.543 54 D N -1.081 118.778 120.400 -0.903 0.000 3.006 54 D HA -0.264 4.379 4.640 0.005 0.000 0.208 54 D C 1.228 177.374 176.300 -0.256 0.000 1.116 54 D CA 2.053 55.714 54.000 -0.566 0.000 0.998 54 D CB -0.733 39.811 40.800 -0.427 0.000 1.124 54 D HN 0.657 nan 8.370 nan 0.000 0.413 55 Q N 0.371 120.054 119.800 -0.195 0.000 2.181 55 Q HA -0.083 4.260 4.340 0.005 0.000 0.205 55 Q C 2.113 178.067 176.000 -0.077 0.000 0.980 55 Q CA 2.071 57.818 55.803 -0.095 0.000 0.862 55 Q CB -0.406 28.298 28.738 -0.056 0.000 0.905 55 Q HN 0.454 nan 8.270 nan 0.000 0.429 56 V N -0.342 119.520 119.914 -0.086 0.000 2.490 56 V HA -0.256 3.866 4.120 0.005 0.000 0.250 56 V C 1.675 177.731 176.094 -0.064 0.000 1.061 56 V CA 2.479 64.772 62.300 -0.012 0.000 1.064 56 V CB -0.568 31.253 31.823 -0.003 0.000 0.670 56 V HN 0.574 nan 8.190 nan 0.000 0.461 57 T N -0.073 114.414 114.554 -0.112 0.000 2.770 57 T HA -0.151 4.202 4.350 0.005 0.000 0.263 57 T C 1.844 176.459 174.700 -0.142 0.000 1.039 57 T CA 1.801 63.824 62.100 -0.128 0.000 1.142 57 T CB -0.214 68.587 68.868 -0.113 0.000 0.868 57 T HN 0.517 nan 8.240 nan 0.000 0.435 58 K N 0.925 121.261 120.400 -0.108 0.000 2.103 58 K HA -0.126 4.197 4.320 0.005 0.000 0.207 58 K C 2.042 178.559 176.600 -0.138 0.000 1.048 58 K CA 1.455 57.685 56.287 -0.095 0.000 0.930 58 K CB -0.147 32.321 32.500 -0.053 0.000 0.716 58 K HN 0.263 nan 8.250 nan 0.000 0.444 59 D N 0.741 121.046 120.400 -0.158 0.000 2.097 59 D HA -0.142 4.501 4.640 0.005 0.000 0.195 59 D C 1.891 177.845 176.300 -0.576 0.000 0.989 59 D CA 1.435 55.300 54.000 -0.226 0.000 0.827 59 D CB -0.287 40.487 40.800 -0.043 0.000 0.966 59 D HN 0.206 nan 8.370 nan 0.000 0.456 60 A N 1.071 123.432 122.820 -0.764 0.000 1.902 60 A HA -0.060 4.263 4.320 0.005 0.000 0.217 60 A C 2.317 179.649 177.584 -0.419 0.000 1.181 60 A CA 2.302 53.798 52.037 -0.902 0.000 0.623 60 A CB -0.746 17.943 19.000 -0.520 0.000 0.818 60 A HN 0.239 nan 8.150 nan 0.000 0.443 61 A N -0.557 122.102 122.820 -0.269 0.000 1.902 61 A HA -0.150 4.173 4.320 0.005 0.000 0.217 61 A C 1.966 179.467 177.584 -0.137 0.000 1.181 61 A CA 2.100 54.040 52.037 -0.161 0.000 0.623 61 A CB -0.482 18.449 19.000 -0.116 0.000 0.818 61 A HN 0.465 nan 8.150 nan 0.000 0.443 62 E N -0.089 120.021 120.200 -0.150 0.000 2.077 62 E HA -0.041 4.312 4.350 0.005 0.000 0.193 62 E C 2.218 178.749 176.600 -0.115 0.000 0.989 62 E CA 1.362 57.695 56.400 -0.111 0.000 0.800 62 E CB -0.521 29.124 29.700 -0.091 0.000 0.746 62 E HN 0.507 nan 8.360 nan 0.000 0.452 63 A N 0.601 123.331 122.820 -0.150 0.000 1.917 63 A HA -0.233 4.090 4.320 0.005 0.000 0.219 63 A C 2.293 179.875 177.584 -0.004 0.000 1.182 63 A CA 1.732 53.736 52.037 -0.054 0.000 0.633 63 A CB -0.844 18.147 19.000 -0.015 0.000 0.819 63 A HN 0.321 nan 8.150 nan 0.000 0.448 64 I N -0.985 119.563 120.570 -0.037 0.000 2.361 64 I HA -0.265 3.908 4.170 0.005 0.000 0.251 64 I C 2.457 178.571 176.117 -0.005 0.000 1.133 64 I CA 1.589 62.893 61.300 0.007 0.000 1.413 64 I CB -0.296 37.690 38.000 -0.024 0.000 1.073 64 I HN 0.315 nan 8.210 nan 0.000 0.424 65 K N 0.736 121.109 120.400 -0.045 0.000 2.097 65 K HA -0.199 4.124 4.320 0.005 0.000 0.206 65 K C 2.203 178.754 176.600 -0.082 0.000 1.049 65 K CA 1.304 57.562 56.287 -0.049 0.000 0.933 65 K CB -0.050 32.417 32.500 -0.055 0.000 0.717 65 K HN 0.173 nan 8.250 nan 0.000 0.442 66 K N -0.290 120.013 120.400 -0.161 0.000 2.062 66 K HA -0.088 4.235 4.320 0.005 0.000 0.205 66 K C 1.648 178.034 176.600 -0.356 0.000 1.051 66 K CA 1.087 57.184 56.287 -0.317 0.000 0.941 66 K CB 0.170 32.361 32.500 -0.515 0.000 0.719 66 K HN 0.272 nan 8.250 nan 0.000 0.440 67 H N -0.727 118.332 119.070 -0.019 0.000 2.648 67 H HA 0.165 4.724 4.556 0.005 0.000 0.265 67 H C 0.276 175.633 175.328 0.050 0.000 0.961 67 H CA 0.518 56.576 56.048 0.018 0.000 1.185 67 H CB 0.569 30.349 29.762 0.030 0.000 1.449 67 H HN 0.312 nan 8.280 nan 0.000 0.523 68 N N -0.709 118.067 118.700 0.127 0.000 2.965 68 N HA -0.161 4.582 4.740 0.005 0.000 0.232 68 N C -0.998 174.617 175.510 0.176 0.000 0.913 68 N CA 0.746 53.874 53.050 0.131 0.000 0.981 68 N CB -0.536 38.028 38.487 0.128 0.000 1.077 68 N HN -0.041 nan 8.380 nan 0.000 0.589 69 V N -0.172 119.841 119.914 0.165 0.000 2.711 69 V HA 0.775 4.898 4.120 0.005 0.000 0.304 69 V C 0.057 176.211 176.094 0.100 0.000 1.097 69 V CA -0.274 62.119 62.300 0.155 0.000 0.906 69 V CB 1.885 33.819 31.823 0.185 0.000 1.015 69 V HN 0.189 nan 8.190 nan 0.000 0.427 70 G N 2.600 111.426 108.800 0.043 0.000 2.682 70 G HA2 0.740 4.703 3.960 0.005 0.000 0.300 70 G HA3 0.740 4.703 3.960 0.005 0.000 0.300 70 G C -1.268 173.598 174.900 -0.056 0.000 1.391 70 G CA -0.562 44.539 45.100 0.003 0.000 0.990 70 G HN 1.204 nan 8.290 nan 0.000 0.501 71 V N -0.996 118.857 119.914 -0.102 0.000 2.483 71 V HA 0.843 4.966 4.120 0.005 0.000 0.297 71 V C -0.579 175.478 176.094 -0.062 0.000 1.027 71 V CA -1.209 60.992 62.300 -0.166 0.000 0.855 71 V CB 1.461 32.933 31.823 -0.585 0.000 0.995 71 V HN 0.827 nan 8.190 nan 0.000 0.424 72 K N 4.072 124.407 120.400 -0.109 0.000 2.345 72 K HA 0.657 4.980 4.320 0.005 0.000 0.255 72 K C -0.784 175.456 176.600 -0.601 0.000 0.934 72 K CA -0.445 55.652 56.287 -0.316 0.000 0.801 72 K CB 1.970 34.336 32.500 -0.223 0.000 1.137 72 K HN 1.010 nan 8.250 nan 0.000 0.424 73 C N 3.279 121.921 119.300 -1.096 0.000 2.443 73 C HA 0.690 5.153 4.460 0.005 0.000 0.369 73 C C 0.566 175.255 174.990 -0.503 0.000 1.241 73 C CA -0.391 57.977 59.018 -1.083 0.000 2.413 73 C CB -0.005 26.821 27.740 -1.524 0.000 2.451 73 C HN 0.905 nan 8.230 nan 0.000 0.595 74 A N 3.673 126.300 122.820 -0.320 0.000 2.425 74 A HA 0.574 4.897 4.320 0.005 0.000 0.249 74 A C 0.481 177.951 177.584 -0.191 0.000 1.084 74 A CA 0.444 52.356 52.037 -0.209 0.000 0.781 74 A CB 0.059 18.985 19.000 -0.125 0.000 1.019 74 A HN 1.175 nan 8.150 nan 0.000 0.490 75 T N -0.398 114.066 114.554 -0.150 0.000 2.916 75 T HA 0.670 5.023 4.350 0.005 0.000 0.292 75 T C -0.218 174.430 174.700 -0.086 0.000 1.064 75 T CA -0.631 61.386 62.100 -0.137 0.000 1.011 75 T CB 0.887 69.671 68.868 -0.140 0.000 1.152 75 T HN 0.412 nan 8.240 nan 0.000 0.510 76 I N 1.925 122.442 120.570 -0.088 0.000 2.416 76 I HA 0.243 4.416 4.170 0.005 0.000 0.288 76 I C 0.216 176.328 176.117 -0.009 0.000 1.051 76 I CA -0.353 60.923 61.300 -0.040 0.000 1.375 76 I CB 1.114 39.081 38.000 -0.055 0.000 1.407 76 I HN 0.681 nan 8.210 nan 0.000 0.516 77 T N 7.976 122.544 114.554 0.023 0.000 2.743 77 T HA 0.327 4.680 4.350 0.005 0.000 0.292 77 T C -2.296 172.442 174.700 0.064 0.000 0.972 77 T CA -1.160 60.969 62.100 0.049 0.000 0.967 77 T CB 0.929 69.826 68.868 0.049 0.000 0.926 77 T HN 0.388 nan 8.240 nan 0.000 0.459 78 P HA 0.326 nan 4.420 nan 0.000 0.287 78 P C -0.771 176.562 177.300 0.056 0.000 1.281 78 P CA -0.522 62.636 63.100 0.096 0.000 0.781 78 P CB 1.029 32.811 31.700 0.136 0.000 0.903 79 D N 1.867 122.297 120.400 0.050 0.000 2.560 79 D HA 0.121 4.764 4.640 0.005 0.000 0.277 79 D C 0.958 177.275 176.300 0.028 0.000 1.194 79 D CA -0.410 53.604 54.000 0.024 0.000 1.092 79 D CB 0.178 40.988 40.800 0.017 0.000 1.169 79 D HN 0.118 nan 8.370 nan 0.000 0.607 80 E N -0.353 119.855 120.200 0.013 0.000 2.047 80 E HA -0.110 4.243 4.350 0.005 0.000 0.191 80 E C 1.896 178.511 176.600 0.024 0.000 0.987 80 E CA 1.325 57.731 56.400 0.010 0.000 0.799 80 E CB -0.123 29.577 29.700 -0.001 0.000 0.752 80 E HN 0.371 nan 8.360 nan 0.000 0.449 81 K N 0.273 120.689 120.400 0.027 0.000 2.044 81 K HA -0.136 4.187 4.320 0.005 0.000 0.210 81 K C 2.121 178.751 176.600 0.050 0.000 1.049 81 K CA 1.244 57.548 56.287 0.028 0.000 0.927 81 K CB 0.023 32.539 32.500 0.026 0.000 0.713 81 K HN -0.047 nan 8.250 nan 0.000 0.443 82 R N 0.400 120.957 120.500 0.095 0.000 2.081 82 R HA -0.086 4.257 4.340 0.005 0.000 0.235 82 R C 2.308 178.743 176.300 0.225 0.000 1.131 82 R CA 0.969 57.187 56.100 0.196 0.000 0.960 82 R CB -0.961 29.479 30.300 0.233 0.000 0.856 82 R HN 0.101 nan 8.270 nan 0.000 0.436 83 V N 1.403 121.398 119.914 0.135 0.000 2.287 83 V HA -0.263 3.860 4.120 0.005 0.000 0.248 83 V C 2.515 178.666 176.094 0.095 0.000 1.053 83 V CA 2.173 64.540 62.300 0.112 0.000 1.027 83 V CB -0.500 31.342 31.823 0.031 0.000 0.646 83 V HN 0.408 nan 8.190 nan 0.000 0.447 84 E N 0.160 120.390 120.200 0.050 0.000 2.085 84 E HA -0.309 4.044 4.350 0.005 0.000 0.194 84 E C 2.228 178.826 176.600 -0.004 0.000 0.994 84 E CA 1.783 58.197 56.400 0.023 0.000 0.801 84 E CB -0.221 29.482 29.700 0.005 0.000 0.743 84 E HN 0.741 nan 8.360 nan 0.000 0.453 85 E N -0.649 119.524 120.200 -0.045 0.000 2.058 85 E HA -0.204 4.149 4.350 0.005 0.000 0.194 85 E C 1.121 177.528 176.600 -0.322 0.000 0.997 85 E CA 1.439 57.703 56.400 -0.226 0.000 0.801 85 E CB -0.170 29.320 29.700 -0.351 0.000 0.746 85 E HN 0.370 nan 8.360 nan 0.000 0.450 86 F N 0.511 120.500 119.950 0.064 0.000 2.664 86 F HA 0.270 4.800 4.527 0.005 0.000 0.303 86 F C -0.088 175.755 175.800 0.072 0.000 1.092 86 F CA -0.256 57.788 58.000 0.073 0.000 1.305 86 F CB 0.718 39.769 39.000 0.084 0.000 1.054 86 F HN -0.187 nan 8.300 nan 0.000 0.565 87 K N 1.115 121.620 120.400 0.174 0.000 3.257 87 K HA -0.190 4.132 4.320 0.005 0.000 0.270 87 K C -0.446 176.249 176.600 0.158 0.000 0.984 87 K CA 0.358 56.723 56.287 0.130 0.000 0.739 87 K CB -2.209 30.354 32.500 0.105 0.000 1.351 87 K HN 0.393 nan 8.250 nan 0.000 0.463 88 L N 0.363 121.690 121.223 0.173 0.000 2.436 88 L HA 0.128 4.471 4.340 0.005 0.000 0.265 88 L C 2.046 178.987 176.870 0.117 0.000 1.168 88 L CA -0.466 54.493 54.840 0.199 0.000 0.815 88 L CB 0.400 42.593 42.059 0.223 0.000 1.109 88 L HN 0.078 nan 8.230 nan 0.000 0.462 89 K N 0.308 120.818 120.400 0.184 0.000 2.032 89 K HA -0.145 4.178 4.320 0.005 0.000 0.209 89 K C 0.238 176.729 176.600 -0.182 0.000 1.048 89 K CA 1.479 57.812 56.287 0.076 0.000 0.927 89 K CB 0.124 32.796 32.500 0.287 0.000 0.712 89 K HN 0.682 nan 8.250 nan 0.000 0.441 90 Q N -2.084 117.412 119.800 -0.507 0.000 2.738 90 Q HA 0.205 4.548 4.340 0.005 0.000 0.301 90 Q C -1.040 174.495 176.000 -0.776 0.000 0.901 90 Q CA -0.718 54.694 55.803 -0.651 0.000 0.756 90 Q CB 0.586 28.869 28.738 -0.758 0.000 1.463 90 Q HN -0.117 nan 8.270 nan 0.000 0.432 91 M N 2.189 121.515 119.600 -0.457 0.000 3.268 91 M HA 0.163 4.646 4.480 0.005 0.000 0.249 91 M C -1.149 175.015 176.300 -0.226 0.000 1.527 91 M CA 0.147 55.296 55.300 -0.251 0.000 1.645 91 M CB -0.636 31.887 32.600 -0.128 0.000 1.193 91 M HN 0.379 nan 8.290 nan 0.000 0.534 92 W N 2.893 124.198 121.300 0.008 0.000 2.209 92 W HA 0.054 4.717 4.660 0.004 0.000 0.344 92 W C 0.738 177.259 176.519 0.002 0.000 1.285 92 W CA -0.325 57.021 57.345 0.002 0.000 1.267 92 W CB 0.227 29.681 29.460 -0.010 0.000 1.167 92 W HN 0.363 nan 8.180 nan 0.000 0.574 93 K N 1.278 121.833 120.400 0.258 0.000 2.138 93 K HA 0.164 4.487 4.320 0.005 0.000 0.251 93 K C 0.410 177.094 176.600 0.139 0.000 1.015 93 K CA -0.657 55.721 56.287 0.152 0.000 0.917 93 K CB 0.808 33.386 32.500 0.129 0.000 1.021 93 K HN 0.385 nan 8.250 nan 0.000 0.485 94 S N 1.693 117.467 115.700 0.124 0.000 2.544 94 S HA 0.039 4.512 4.470 0.005 0.000 0.290 94 S C -1.764 172.879 174.600 0.072 0.000 1.276 94 S CA -1.243 57.028 58.200 0.118 0.000 1.075 94 S CB 0.382 63.713 63.200 0.218 0.000 0.849 94 S HN 0.295 nan 8.310 nan 0.000 0.494 95 P HA -0.053 nan 4.420 nan 0.000 0.218 95 P C 1.103 178.364 177.300 -0.064 0.000 1.149 95 P CA 0.860 63.938 63.100 -0.037 0.000 0.817 95 P CB 0.034 31.691 31.700 -0.073 0.000 0.785 96 N N -0.143 118.517 118.700 -0.067 0.000 2.069 96 N HA -0.115 4.628 4.740 0.005 0.000 0.191 96 N C 2.035 177.423 175.510 -0.203 0.000 1.031 96 N CA 1.911 54.882 53.050 -0.132 0.000 0.852 96 N CB -1.217 37.194 38.487 -0.126 0.000 1.018 96 N HN 0.191 nan 8.380 nan 0.000 0.423 97 G N 0.447 109.154 108.800 -0.155 0.000 2.394 97 G HA2 -0.183 3.780 3.960 0.005 0.000 0.215 97 G HA3 -0.183 3.780 3.960 0.005 0.000 0.215 97 G C 1.606 176.450 174.900 -0.093 0.000 1.165 97 G CA 1.290 46.269 45.100 -0.201 0.000 0.784 97 G HN 0.259 nan 8.290 nan 0.000 0.535 98 T N 1.570 116.107 114.554 -0.028 0.000 2.652 98 T HA -0.114 4.239 4.350 0.005 0.000 0.267 98 T C 2.381 177.048 174.700 -0.054 0.000 1.039 98 T CA 1.257 63.343 62.100 -0.023 0.000 1.153 98 T CB -0.204 68.658 68.868 -0.010 0.000 0.863 98 T HN 0.227 nan 8.240 nan 0.000 0.428 99 I N 0.386 120.907 120.570 -0.082 0.000 2.315 99 I HA -0.125 4.048 4.170 0.005 0.000 0.248 99 I C 2.827 178.891 176.117 -0.089 0.000 1.117 99 I CA 1.207 62.453 61.300 -0.090 0.000 1.404 99 I CB -0.269 37.665 38.000 -0.109 0.000 1.071 99 I HN 0.097 nan 8.210 nan 0.000 0.419 100 R N 0.436 120.859 120.500 -0.128 0.000 2.075 100 R HA -0.109 4.233 4.340 0.005 0.000 0.232 100 R C 2.111 178.371 176.300 -0.066 0.000 1.126 100 R CA 1.261 57.278 56.100 -0.137 0.000 0.963 100 R CB -0.343 29.813 30.300 -0.241 0.000 0.858 100 R HN 0.438 nan 8.270 nan 0.000 0.435 101 N N 0.444 119.106 118.700 -0.065 0.000 2.244 101 N HA -0.093 4.650 4.740 0.005 0.000 0.183 101 N C 1.772 177.357 175.510 0.126 0.000 1.016 101 N CA 0.993 54.057 53.050 0.024 0.000 0.866 101 N CB 0.095 38.531 38.487 -0.085 0.000 0.980 101 N HN 0.196 nan 8.380 nan 0.000 0.430 102 I N 0.835 121.433 120.570 0.047 0.000 2.333 102 I HA -0.176 3.997 4.170 0.005 0.000 0.246 102 I C 2.034 178.169 176.117 0.029 0.000 1.106 102 I CA 0.721 62.045 61.300 0.041 0.000 1.411 102 I CB 0.065 38.064 38.000 -0.001 0.000 1.082 102 I HN 0.045 nan 8.210 nan 0.000 0.420 103 L N -0.088 121.138 121.223 0.006 0.000 2.127 103 L HA 0.194 4.537 4.340 0.005 0.000 0.203 103 L C 1.313 178.190 176.870 0.012 0.000 1.080 103 L CA 0.539 55.377 54.840 -0.005 0.000 0.768 103 L CB -0.974 41.067 42.059 -0.030 0.000 0.924 103 L HN 0.432 nan 8.230 nan 0.000 0.444 104 G N -0.702 108.118 108.800 0.034 0.000 2.796 104 G HA2 0.175 4.138 3.960 0.005 0.000 0.226 104 G HA3 0.175 4.138 3.960 0.005 0.000 0.226 104 G C 0.141 175.049 174.900 0.013 0.000 1.381 104 G CA -0.306 44.823 45.100 0.049 0.000 0.867 104 G HN 0.883 nan 8.290 nan 0.000 0.552 105 G N -2.701 106.121 108.800 0.037 0.000 2.396 105 G HA2 0.522 4.485 3.960 0.005 0.000 0.254 105 G HA3 0.522 4.485 3.960 0.005 0.000 0.254 105 G C -0.319 174.573 174.900 -0.014 0.000 1.248 105 G CA 0.455 45.571 45.100 0.027 0.000 1.033 105 G HN 2.187 nan 8.290 nan 0.000 0.502 106 T N 0.043 114.545 114.554 -0.087 0.000 2.848 106 T HA 0.585 4.938 4.350 0.005 0.000 0.285 106 T C -0.156 174.250 174.700 -0.491 0.000 0.995 106 T CA -0.333 61.596 62.100 -0.285 0.000 0.970 106 T CB 1.966 70.680 68.868 -0.257 0.000 0.976 106 T HN 0.969 nan 8.240 nan 0.000 0.441 107 V N 4.285 123.789 119.914 -0.682 0.000 2.385 107 V HA 0.414 4.537 4.120 0.005 0.000 0.269 107 V C -0.778 174.999 176.094 -0.528 0.000 1.043 107 V CA -0.527 61.411 62.300 -0.603 0.000 0.906 107 V CB -0.065 31.271 31.823 -0.811 0.000 0.995 107 V HN 0.739 nan 8.190 nan 0.000 0.467 108 F N 5.447 125.342 119.950 -0.092 0.000 2.411 108 F HA 0.628 5.157 4.527 0.005 0.000 0.352 108 F C 0.751 176.539 175.800 -0.020 0.000 1.123 108 F CA -0.516 57.471 58.000 -0.023 0.000 1.044 108 F CB 1.139 40.141 39.000 0.004 0.000 1.135 108 F HN 0.326 nan 8.300 nan 0.000 0.461 109 R N 2.544 123.141 120.500 0.161 0.000 2.740 109 R HA 0.659 5.002 4.340 0.005 0.000 0.282 109 R C -1.183 175.143 176.300 0.042 0.000 0.969 109 R CA -0.992 55.154 56.100 0.077 0.000 0.918 109 R CB 2.948 33.270 30.300 0.037 0.000 1.175 109 R HN 0.688 nan 8.270 nan 0.000 0.464 110 E N 1.090 121.286 120.200 -0.007 0.000 2.347 110 E HA 0.370 4.723 4.350 0.005 0.000 0.285 110 E C -1.429 175.090 176.600 -0.134 0.000 0.925 110 E CA -0.523 55.829 56.400 -0.081 0.000 0.779 110 E CB 2.057 31.727 29.700 -0.051 0.000 1.233 110 E HN 0.750 nan 8.360 nan 0.000 0.414 111 A N 4.363 127.029 122.820 -0.257 0.000 2.483 111 A HA 0.310 4.633 4.320 0.005 0.000 0.238 111 A C 0.049 177.482 177.584 -0.252 0.000 1.070 111 A CA 0.104 51.968 52.037 -0.287 0.000 0.770 111 A CB 0.093 18.758 19.000 -0.558 0.000 1.008 111 A HN 0.570 nan 8.150 nan 0.000 0.497 112 I N 2.249 122.691 120.570 -0.212 0.000 2.304 112 I HA 0.256 4.428 4.170 0.005 0.000 0.291 112 I C -0.517 175.516 176.117 -0.141 0.000 1.018 112 I CA 0.052 61.227 61.300 -0.209 0.000 1.260 112 I CB 0.816 38.588 38.000 -0.379 0.000 1.390 112 I HN 0.436 nan 8.210 nan 0.000 0.475 113 I N 5.902 126.415 120.570 -0.096 0.000 2.336 113 I HA 0.315 4.488 4.170 0.005 0.000 0.292 113 I C -0.385 175.734 176.117 0.002 0.000 0.991 113 I CA -0.235 61.039 61.300 -0.043 0.000 1.227 113 I CB 1.418 39.391 38.000 -0.045 0.000 1.366 113 I HN 0.564 nan 8.210 nan 0.000 0.466 114 C N 5.598 124.912 119.300 0.022 0.000 2.411 114 C HA 0.329 4.791 4.460 0.005 0.000 0.330 114 C C 1.608 176.626 174.990 0.047 0.000 1.224 114 C CA -0.960 58.082 59.018 0.039 0.000 1.770 114 C CB 1.676 29.443 27.740 0.044 0.000 2.297 114 C HN 0.740 nan 8.230 nan 0.000 0.507 115 K N 2.211 122.639 120.400 0.047 0.000 2.283 115 K HA -0.081 4.242 4.320 0.005 0.000 0.202 115 K C 1.104 177.730 176.600 0.042 0.000 1.048 115 K CA 1.079 57.394 56.287 0.047 0.000 0.948 115 K CB -0.167 32.358 32.500 0.043 0.000 0.742 115 K HN 0.797 nan 8.250 nan 0.000 0.458 116 N N 0.674 119.398 118.700 0.040 0.000 2.270 116 N HA -0.014 4.729 4.740 0.005 0.000 0.198 116 N C -0.112 175.416 175.510 0.029 0.000 1.117 116 N CA -0.008 53.061 53.050 0.032 0.000 0.845 116 N CB 0.319 38.823 38.487 0.029 0.000 0.980 116 N HN -0.037 nan 8.380 nan 0.000 0.486 117 I N 2.389 122.980 120.570 0.036 0.000 2.330 117 I HA 0.418 4.591 4.170 0.005 0.000 0.286 117 I C -2.309 173.831 176.117 0.039 0.000 1.025 117 I CA -2.550 58.770 61.300 0.033 0.000 1.197 117 I CB 0.926 38.948 38.000 0.037 0.000 1.358 117 I HN -0.202 nan 8.210 nan 0.000 0.467 118 P HA 0.382 nan 4.420 nan 0.000 0.274 118 P C -0.241 177.065 177.300 0.010 0.000 1.237 118 P CA -0.518 62.590 63.100 0.014 0.000 0.793 118 P CB 0.888 32.585 31.700 -0.005 0.000 0.977 119 R N 0.581 121.077 120.500 -0.008 0.000 2.573 119 R HA 0.376 4.719 4.340 0.005 0.000 0.272 119 R C 1.410 177.639 176.300 -0.117 0.000 1.009 119 R CA -0.592 55.482 56.100 -0.044 0.000 1.059 119 R CB 0.474 30.731 30.300 -0.072 0.000 1.112 119 R HN 0.417 nan 8.270 nan 0.000 0.517 120 L N 1.048 122.174 121.223 -0.162 0.000 2.109 120 L HA 0.029 4.372 4.340 0.005 0.000 0.207 120 L C 0.843 177.524 176.870 -0.316 0.000 1.086 120 L CA 0.784 55.504 54.840 -0.200 0.000 0.760 120 L CB 0.024 41.980 42.059 -0.172 0.000 0.910 120 L HN 0.308 nan 8.230 nan 0.000 0.437 121 V N -0.422 119.172 119.914 -0.533 0.000 2.383 121 V HA 0.115 4.237 4.120 0.005 0.000 0.275 121 V C 1.235 176.995 176.094 -0.556 0.000 1.036 121 V CA 0.033 61.907 62.300 -0.709 0.000 0.889 121 V CB 1.641 32.675 31.823 -1.314 0.000 0.985 121 V HN 0.370 nan 8.190 nan 0.000 0.459 122 S N 4.725 120.212 115.700 -0.356 0.000 2.359 122 S HA -0.105 4.368 4.470 0.005 0.000 0.224 122 S C 1.852 176.358 174.600 -0.157 0.000 1.035 122 S CA 1.389 59.466 58.200 -0.204 0.000 1.018 122 S CB -0.985 62.130 63.200 -0.141 0.000 0.876 122 S HN 1.291 nan 8.310 nan 0.000 0.448 123 G N 0.177 108.870 108.800 -0.178 0.000 2.484 123 G HA2 -0.069 3.894 3.960 0.005 0.000 0.218 123 G HA3 -0.069 3.894 3.960 0.005 0.000 0.218 123 G C 0.079 175.070 174.900 0.151 0.000 1.130 123 G CA -0.134 44.963 45.100 -0.005 0.000 0.784 123 G HN 0.522 nan 8.290 nan 0.000 0.543 124 W N 2.253 123.499 121.300 -0.090 0.000 1.839 124 W HA 0.358 5.022 4.660 0.005 0.000 0.489 124 W C 1.191 177.733 176.519 0.038 0.000 0.789 124 W CA -1.129 56.163 57.345 -0.089 0.000 1.900 124 W CB -0.786 28.449 29.460 -0.375 0.000 1.773 124 W HN 0.060 nan 8.180 nan 0.000 0.251 125 V N -0.729 119.326 119.914 0.235 0.000 3.506 125 V HA 0.214 4.337 4.120 0.005 0.000 0.263 125 V C 0.711 176.887 176.094 0.136 0.000 1.203 125 V CA 0.498 62.901 62.300 0.171 0.000 1.133 125 V CB -0.211 31.684 31.823 0.120 0.000 0.802 125 V HN 0.066 nan 8.190 nan 0.000 0.459 126 K N 0.881 121.338 120.400 0.095 0.000 2.328 126 K HA 0.586 4.909 4.320 0.005 0.000 0.246 126 K C -2.887 173.613 176.600 -0.168 0.000 0.955 126 K CA -2.264 53.999 56.287 -0.039 0.000 0.817 126 K CB 2.228 34.668 32.500 -0.100 0.000 1.208 126 K HN 0.038 nan 8.250 nan 0.000 0.432 127 P HA 0.158 nan 4.420 nan 0.000 0.272 127 P C -0.753 176.132 177.300 -0.691 0.000 1.223 127 P CA -0.026 62.787 63.100 -0.479 0.000 0.784 127 P CB 0.528 31.960 31.700 -0.446 0.000 0.923 128 I N 2.969 123.190 120.570 -0.583 0.000 2.355 128 I HA 0.324 4.497 4.170 0.005 0.000 0.288 128 I C -0.021 175.862 176.117 -0.391 0.000 0.999 128 I CA -0.525 60.349 61.300 -0.710 0.000 1.163 128 I CB 0.835 38.411 38.000 -0.707 0.000 1.316 128 I HN 0.123 nan 8.210 nan 0.000 0.454 129 I N 7.485 127.887 120.570 -0.279 0.000 2.312 129 I HA 0.343 4.516 4.170 0.005 0.000 0.290 129 I C -0.126 176.077 176.117 0.142 0.000 1.008 129 I CA -0.257 61.031 61.300 -0.020 0.000 1.226 129 I CB 1.095 39.139 38.000 0.072 0.000 1.371 129 I HN 0.396 nan 8.210 nan 0.000 0.468 130 I N 5.608 126.254 120.570 0.127 0.000 2.315 130 I HA 0.391 4.564 4.170 0.005 0.000 0.291 130 I C 0.602 176.813 176.117 0.157 0.000 1.006 130 I CA -0.103 61.267 61.300 0.116 0.000 1.265 130 I CB 1.360 39.318 38.000 -0.070 0.000 1.387 130 I HN 0.634 nan 8.210 nan 0.000 0.475 131 G N 6.130 115.021 108.800 0.152 0.000 2.588 131 G HA2 0.388 4.351 3.960 0.005 0.000 0.312 131 G HA3 0.388 4.351 3.960 0.005 0.000 0.312 131 G C -0.809 174.100 174.900 0.014 0.000 1.257 131 G CA -0.311 44.695 45.100 -0.158 0.000 0.994 131 G HN 0.735 nan 8.290 nan 0.000 0.498 132 H N 0.962 119.907 119.070 -0.209 0.000 2.524 132 H HA 0.399 4.958 4.556 0.005 0.000 0.353 132 H C -1.084 173.997 175.328 -0.411 0.000 1.136 132 H CA -0.733 55.173 56.048 -0.237 0.000 1.193 132 H CB 1.461 31.083 29.762 -0.233 0.000 1.558 132 H HN 0.529 nan 8.280 nan 0.000 0.515 133 H N 2.220 120.801 119.070 -0.815 0.000 3.004 133 H HA 0.167 4.726 4.556 0.004 0.000 0.316 133 H C 0.288 175.417 175.328 -0.333 0.000 1.014 133 H CA 0.273 55.774 56.048 -0.912 0.000 1.454 133 H CB 0.867 30.029 29.762 -1.000 0.000 1.472 133 H HN 0.776 nan 8.280 nan 0.000 0.571 134 A N 5.355 128.001 122.820 -0.291 0.000 2.178 134 A HA -0.053 4.270 4.320 0.005 0.000 0.211 134 A C 0.163 177.576 177.584 -0.285 0.000 1.157 134 A CA 0.156 52.022 52.037 -0.286 0.000 0.780 134 A CB -0.004 18.857 19.000 -0.232 0.000 0.828 134 A HN 0.716 nan 8.150 nan 0.000 0.476 135 Y N -0.053 119.880 120.300 -0.611 0.000 2.360 135 Y HA 0.472 5.025 4.550 0.005 0.000 0.337 135 Y C 0.844 176.464 175.900 -0.466 0.000 1.039 135 Y CA 0.122 57.954 58.100 -0.447 0.000 1.109 135 Y CB 0.873 39.174 38.460 -0.265 0.000 1.201 135 Y HN 0.690 nan 8.280 nan 0.000 0.458 136 G N 3.992 112.204 108.800 -0.980 0.000 2.593 136 G HA2 -0.183 3.780 3.960 0.005 0.000 0.237 136 G HA3 -0.183 3.780 3.960 0.005 0.000 0.237 136 G C -0.273 174.403 174.900 -0.373 0.000 1.312 136 G CA -0.047 44.543 45.100 -0.850 0.000 0.896 136 G HN 0.999 nan 8.290 nan 0.000 0.574 137 D N -2.313 117.919 120.400 -0.281 0.000 3.393 137 D HA -0.205 4.438 4.640 0.005 0.000 0.178 137 D C 1.831 178.076 176.300 -0.092 0.000 1.201 137 D CA 2.095 56.052 54.000 -0.073 0.000 1.086 137 D CB -1.155 39.664 40.800 0.032 0.000 0.568 137 D HN 0.826 nan 8.370 nan 0.000 0.637 138 Q N -1.211 118.552 119.800 -0.061 0.000 2.135 138 Q HA -0.104 4.239 4.340 0.005 0.000 0.204 138 Q C 2.213 178.123 176.000 -0.151 0.000 0.981 138 Q CA 1.744 57.471 55.803 -0.127 0.000 0.856 138 Q CB -0.289 28.348 28.738 -0.169 0.000 0.902 138 Q HN 0.533 nan 8.270 nan 0.000 0.425 139 Y N -0.476 119.763 120.300 -0.103 0.000 2.403 139 Y HA -0.093 4.460 4.550 0.004 0.000 0.291 139 Y C 1.618 177.457 175.900 -0.101 0.000 1.143 139 Y CA 0.903 58.945 58.100 -0.097 0.000 1.257 139 Y CB 0.370 38.759 38.460 -0.118 0.000 0.984 139 Y HN -0.067 nan 8.280 nan 0.000 0.550 140 R N 0.075 120.566 120.500 -0.015 0.000 2.586 140 R HA 0.385 4.727 4.340 0.005 0.000 0.336 140 R C 0.018 176.351 176.300 0.055 0.000 1.060 140 R CA 0.003 56.094 56.100 -0.014 0.000 1.079 140 R CB 0.100 30.305 30.300 -0.158 0.000 1.317 140 R HN 0.076 nan 8.270 nan 0.000 0.568 141 A N 0.556 123.388 122.820 0.019 0.000 2.304 141 A HA 0.388 4.711 4.320 0.005 0.000 0.271 141 A C -0.051 177.583 177.584 0.085 0.000 1.091 141 A CA 0.129 52.196 52.037 0.051 0.000 0.812 141 A CB 0.617 19.608 19.000 -0.016 0.000 1.056 141 A HN 0.074 nan 8.150 nan 0.000 0.489 142 T N 2.587 117.216 114.554 0.126 0.000 2.821 142 T HA 0.463 4.816 4.350 0.005 0.000 0.307 142 T C -0.892 173.928 174.700 0.200 0.000 1.034 142 T CA -0.519 61.672 62.100 0.152 0.000 0.953 142 T CB 0.294 69.262 68.868 0.168 0.000 0.968 142 T HN 0.753 nan 8.240 nan 0.000 0.462 143 D N 2.479 122.974 120.400 0.159 0.000 2.340 143 D HA 0.688 5.331 4.640 0.005 0.000 0.240 143 D C -0.449 175.993 176.300 0.236 0.000 1.001 143 D CA -0.823 53.241 54.000 0.106 0.000 0.888 143 D CB 1.509 42.292 40.800 -0.028 0.000 1.310 143 D HN 0.432 nan 8.370 nan 0.000 0.474 144 F N -2.006 117.934 119.950 -0.018 0.000 2.713 144 F HA 0.553 5.082 4.527 0.004 0.000 0.311 144 F C -1.456 174.321 175.800 -0.038 0.000 1.141 144 F CA -1.458 56.526 58.000 -0.027 0.000 0.939 144 F CB 0.851 39.836 39.000 -0.024 0.000 1.325 144 F HN 0.130 nan 8.300 nan 0.000 0.453 145 V N 2.352 122.329 119.914 0.105 0.000 2.546 145 V HA 0.420 4.542 4.120 0.005 0.000 0.284 145 V C -0.281 175.834 176.094 0.036 0.000 1.050 145 V CA -0.700 61.599 62.300 -0.002 0.000 0.981 145 V CB 1.352 33.178 31.823 0.005 0.000 0.990 145 V HN 0.669 nan 8.190 nan 0.000 0.474 146 V N 8.604 128.444 119.914 -0.123 0.000 2.333 146 V HA 0.244 4.367 4.120 0.005 0.000 0.274 146 V C -1.110 174.865 176.094 -0.198 0.000 1.028 146 V CA -0.995 61.178 62.300 -0.211 0.000 0.851 146 V CB 1.493 32.929 31.823 -0.645 0.000 1.000 146 V HN 0.823 nan 8.190 nan 0.000 0.456 147 P HA 0.104 nan 4.420 nan 0.000 0.219 147 P C 0.662 177.916 177.300 -0.076 0.000 1.150 147 P CA 1.108 64.165 63.100 -0.072 0.000 0.814 147 P CB 0.713 32.389 31.700 -0.039 0.000 0.787 148 G N -1.316 107.421 108.800 -0.105 0.000 2.561 148 G HA2 0.420 4.383 3.960 0.005 0.000 0.310 148 G HA3 0.420 4.383 3.960 0.005 0.000 0.310 148 G C -3.306 171.562 174.900 -0.053 0.000 1.292 148 G CA -0.878 44.186 45.100 -0.059 0.000 0.811 148 G HN -0.257 nan 8.290 nan 0.000 0.482 149 P HA 0.481 nan 4.420 nan 0.000 0.267 149 P C 0.498 177.831 177.300 0.055 0.000 1.200 149 P CA 1.347 64.492 63.100 0.074 0.000 0.772 149 P CB 1.185 32.923 31.700 0.063 0.000 0.855 150 G N 0.824 109.691 108.800 0.112 0.000 2.345 150 G HA2 0.346 4.309 3.960 0.005 0.000 0.285 150 G HA3 0.346 4.309 3.960 0.005 0.000 0.285 150 G C -1.894 173.105 174.900 0.165 0.000 1.297 150 G CA -0.740 44.415 45.100 0.092 0.000 0.875 150 G HN 0.656 nan 8.290 nan 0.000 0.506 151 K N -0.539 119.942 120.400 0.135 0.000 2.345 151 K HA 0.742 5.065 4.320 0.005 0.000 0.255 151 K C -1.268 175.448 176.600 0.193 0.000 0.934 151 K CA -0.760 55.621 56.287 0.156 0.000 0.801 151 K CB 2.321 34.872 32.500 0.086 0.000 1.137 151 K HN 0.463 nan 8.250 nan 0.000 0.424 152 V N 3.608 123.683 119.914 0.268 0.000 2.417 152 V HA 0.401 4.524 4.120 0.005 0.000 0.291 152 V C -0.608 175.624 176.094 0.229 0.000 1.024 152 V CA -0.579 61.894 62.300 0.288 0.000 0.861 152 V CB 1.341 33.410 31.823 0.411 0.000 0.985 152 V HN 0.913 nan 8.190 nan 0.000 0.436 153 E N 3.229 123.549 120.200 0.201 0.000 2.393 153 E HA 0.648 5.001 4.350 0.005 0.000 0.273 153 E C -1.302 175.410 176.600 0.188 0.000 0.918 153 E CA -0.836 55.670 56.400 0.177 0.000 0.773 153 E CB 3.424 33.202 29.700 0.129 0.000 1.275 153 E HN 0.603 nan 8.360 nan 0.000 0.451 154 I N 1.157 121.855 120.570 0.213 0.000 2.545 154 I HA 0.429 4.602 4.170 0.005 0.000 0.292 154 I C -1.118 175.146 176.117 0.246 0.000 1.040 154 I CA -0.157 61.281 61.300 0.229 0.000 1.068 154 I CB 1.786 39.934 38.000 0.247 0.000 1.251 154 I HN 0.570 nan 8.210 nan 0.000 0.424 155 T N 4.499 119.172 114.554 0.199 0.000 2.893 155 T HA 0.462 4.815 4.350 0.005 0.000 0.293 155 T C -1.638 173.196 174.700 0.224 0.000 1.027 155 T CA -0.439 61.758 62.100 0.161 0.000 0.988 155 T CB 1.402 70.315 68.868 0.074 0.000 1.043 155 T HN 0.481 nan 8.240 nan 0.000 0.461 156 Y N 2.566 122.907 120.300 0.068 0.000 2.326 156 Y HA 0.578 5.129 4.550 0.001 0.000 0.331 156 Y C -0.714 175.201 175.900 0.026 0.000 0.962 156 Y CA -0.689 57.451 58.100 0.065 0.000 1.167 156 Y CB 1.630 40.155 38.460 0.109 0.000 1.148 156 Y HN 0.796 nan 8.280 nan 0.000 0.463 157 T N 8.995 123.281 114.554 -0.447 0.000 2.770 157 T HA 0.376 4.729 4.350 0.005 0.000 0.297 157 T C -2.683 171.613 174.700 -0.672 0.000 0.997 157 T CA -1.412 60.409 62.100 -0.465 0.000 0.949 157 T CB 0.828 69.573 68.868 -0.205 0.000 0.941 157 T HN 0.438 nan 8.240 nan 0.000 0.457 158 P HA 0.182 nan 4.420 nan 0.000 0.271 158 P C 0.825 178.009 177.300 -0.194 0.000 1.218 158 P CA -0.318 62.504 63.100 -0.463 0.000 0.780 158 P CB 0.737 32.287 31.700 -0.249 0.000 0.901 159 S N 1.327 116.976 115.700 -0.085 0.000 2.522 159 S HA -0.109 4.364 4.470 0.005 0.000 0.227 159 S C 1.039 175.620 174.600 -0.031 0.000 0.986 159 S CA 0.942 59.115 58.200 -0.044 0.000 0.929 159 S CB -0.754 62.443 63.200 -0.006 0.000 0.769 159 S HN 0.558 nan 8.310 nan 0.000 0.529 160 D N -0.381 120.004 120.400 -0.026 0.000 2.336 160 D HA 0.266 4.909 4.640 0.005 0.000 0.228 160 D C 1.341 177.627 176.300 -0.023 0.000 1.120 160 D CA 0.595 54.587 54.000 -0.014 0.000 0.839 160 D CB -0.516 40.286 40.800 0.004 0.000 0.932 160 D HN 0.467 nan 8.370 nan 0.000 0.509 161 G N 0.185 108.960 108.800 -0.042 0.000 2.225 161 G HA2 -0.319 3.644 3.960 0.005 0.000 0.254 161 G HA3 -0.319 3.644 3.960 0.005 0.000 0.254 161 G C 0.658 175.533 174.900 -0.043 0.000 0.988 161 G CA 0.689 45.764 45.100 -0.041 0.000 0.625 161 G HN 0.811 nan 8.290 nan 0.000 0.527 162 T N -1.372 113.157 114.554 -0.042 0.000 2.698 162 T HA 0.504 4.857 4.350 0.005 0.000 0.295 162 T C 0.452 175.118 174.700 -0.057 0.000 1.007 162 T CA 0.196 62.275 62.100 -0.034 0.000 0.980 162 T CB 0.760 69.621 68.868 -0.012 0.000 1.036 162 T HN 0.367 nan 8.240 nan 0.000 0.526 163 Q N 1.355 121.130 119.800 -0.041 0.000 2.263 163 Q HA 0.042 4.384 4.340 0.005 0.000 0.289 163 Q C 0.368 176.319 176.000 -0.082 0.000 1.061 163 Q CA 0.150 55.923 55.803 -0.051 0.000 0.927 163 Q CB 0.573 29.292 28.738 -0.030 0.000 1.154 163 Q HN 0.654 nan 8.270 nan 0.000 0.378 164 K N 1.254 121.593 120.400 -0.102 0.000 2.489 164 K HA 0.103 4.426 4.320 0.005 0.000 0.278 164 K C -0.997 175.554 176.600 -0.083 0.000 1.000 164 K CA -0.125 56.088 56.287 -0.123 0.000 1.012 164 K CB 0.603 33.043 32.500 -0.100 0.000 0.903 164 K HN 0.248 nan 8.250 nan 0.000 0.485 165 V N 3.887 123.764 119.914 -0.062 0.000 2.448 165 V HA 0.267 4.389 4.120 0.005 0.000 0.295 165 V C -0.518 175.473 176.094 -0.172 0.000 1.025 165 V CA -0.715 61.522 62.300 -0.106 0.000 0.859 165 V CB 1.843 33.646 31.823 -0.033 0.000 0.988 165 V HN 0.947 nan 8.190 nan 0.000 0.431 166 T N 4.908 119.302 114.554 -0.267 0.000 2.792 166 T HA 0.670 5.023 4.350 0.005 0.000 0.280 166 T C -1.125 173.396 174.700 -0.298 0.000 0.990 166 T CA -0.250 61.739 62.100 -0.186 0.000 0.960 166 T CB 0.777 69.606 68.868 -0.064 0.000 0.939 166 T HN 0.427 nan 8.240 nan 0.000 0.439 167 Y N 1.473 121.823 120.300 0.084 0.000 2.468 167 Y HA 0.632 5.184 4.550 0.004 0.000 0.342 167 Y C -0.129 175.818 175.900 0.077 0.000 1.021 167 Y CA -1.452 56.694 58.100 0.076 0.000 1.079 167 Y CB 1.141 39.650 38.460 0.082 0.000 1.226 167 Y HN 0.418 nan 8.280 nan 0.000 0.460 168 L N 2.602 123.966 121.223 0.234 0.000 2.281 168 L HA 0.339 4.682 4.340 0.005 0.000 0.285 168 L C 0.043 177.009 176.870 0.160 0.000 1.074 168 L CA 0.226 55.161 54.840 0.160 0.000 0.817 168 L CB 0.788 42.910 42.059 0.106 0.000 1.168 168 L HN 0.732 nan 8.230 nan 0.000 0.434 169 V N 3.933 123.948 119.914 0.169 0.000 2.379 169 V HA 0.074 4.197 4.120 0.005 0.000 0.243 169 V C 0.090 176.292 176.094 0.181 0.000 1.035 169 V CA 0.963 63.358 62.300 0.158 0.000 1.035 169 V CB -0.561 31.368 31.823 0.176 0.000 0.673 169 V HN 0.949 nan 8.190 nan 0.000 0.457 170 H N -1.066 118.033 119.070 0.047 0.000 3.121 170 H HA 0.386 4.945 4.556 0.005 0.000 0.337 170 H C -1.089 174.242 175.328 0.005 0.000 1.198 170 H CA -0.901 55.111 56.048 -0.062 0.000 1.274 170 H CB 0.906 30.509 29.762 -0.265 0.000 1.954 170 H HN 0.103 nan 8.280 nan 0.000 0.531 171 N N 3.423 121.736 118.700 -0.645 0.000 2.457 171 N HA 0.219 4.962 4.740 0.005 0.000 0.250 171 N C -1.438 173.664 175.510 -0.680 0.000 0.982 171 N CA -0.323 52.471 53.050 -0.426 0.000 0.941 171 N CB 0.097 38.438 38.487 -0.243 0.000 1.120 171 N HN 0.319 nan 8.380 nan 0.000 0.505 172 F N 2.200 122.004 119.950 -0.244 0.000 2.404 172 F HA 0.187 4.717 4.527 0.004 0.000 0.359 172 F C 1.638 177.410 175.800 -0.047 0.000 1.134 172 F CA -0.337 57.628 58.000 -0.058 0.000 1.160 172 F CB 0.937 39.978 39.000 0.068 0.000 1.186 172 F HN 0.591 nan 8.300 nan 0.000 0.526 173 E N 0.726 120.971 120.200 0.076 0.000 2.481 173 E HA 0.058 4.411 4.350 0.005 0.000 0.198 173 E C 0.342 176.986 176.600 0.073 0.000 1.027 173 E CA 0.265 56.700 56.400 0.058 0.000 0.900 173 E CB 0.293 29.996 29.700 0.005 0.000 0.993 173 E HN 0.520 nan 8.360 nan 0.000 0.482 174 E N 1.107 121.370 120.200 0.106 0.000 2.476 174 E HA 0.224 4.577 4.350 0.005 0.000 0.193 174 E C 1.052 177.706 176.600 0.090 0.000 0.966 174 E CA 0.921 57.371 56.400 0.082 0.000 1.114 174 E CB 0.307 30.049 29.700 0.070 0.000 1.151 174 E HN 0.197 nan 8.360 nan 0.000 0.487 175 G N 0.094 108.974 108.800 0.132 0.000 3.257 175 G HA2 0.542 4.505 3.960 0.005 0.000 0.205 175 G HA3 0.542 4.505 3.960 0.005 0.000 0.205 175 G C -0.012 174.965 174.900 0.129 0.000 1.234 175 G CA -0.031 45.131 45.100 0.104 0.000 0.918 175 G HN 0.254 nan 8.290 nan 0.000 0.602 176 G N -2.168 106.660 108.800 0.047 0.000 2.606 176 G HA2 0.689 4.652 3.960 0.005 0.000 0.262 176 G HA3 0.689 4.652 3.960 0.005 0.000 0.262 176 G C 0.204 175.105 174.900 0.002 0.000 1.394 176 G CA 0.280 45.328 45.100 -0.086 0.000 1.044 176 G HN 1.749 nan 8.290 nan 0.000 0.553 177 G N -2.411 106.315 108.800 -0.125 0.000 2.552 177 G HA2 0.571 4.534 3.960 0.005 0.000 0.137 177 G HA3 0.571 4.534 3.960 0.005 0.000 0.137 177 G C -1.153 173.700 174.900 -0.079 0.000 1.135 177 G CA 0.567 45.688 45.100 0.035 0.000 1.047 177 G HN 1.785 nan 8.290 nan 0.000 0.501 178 V N -2.558 117.338 119.914 -0.031 0.000 3.078 178 V HA 1.022 5.145 4.120 0.005 0.000 0.311 178 V C -0.100 175.868 176.094 -0.210 0.000 1.138 178 V CA -0.263 61.933 62.300 -0.173 0.000 1.007 178 V CB 1.067 32.803 31.823 -0.145 0.000 1.045 178 V HN 2.485 nan 8.190 nan 0.000 0.432 179 A N 3.835 126.322 122.820 -0.555 0.000 2.606 179 A HA 1.031 5.354 4.320 0.005 0.000 0.293 179 A C -0.853 176.318 177.584 -0.688 0.000 1.082 179 A CA -0.240 51.467 52.037 -0.550 0.000 0.685 179 A CB 2.275 20.986 19.000 -0.482 0.000 1.284 179 A HN 2.324 nan 8.150 nan 0.000 0.408 180 M N 0.626 120.060 119.600 -0.278 0.000 2.471 180 M HA 0.727 5.210 4.480 0.005 0.000 0.284 180 M C -0.577 175.752 176.300 0.049 0.000 1.203 180 M CA -0.200 55.050 55.300 -0.083 0.000 0.915 180 M CB 1.848 34.386 32.600 -0.103 0.000 1.734 180 M HN 1.279 nan 8.290 nan 0.000 0.485 181 G N 3.647 112.533 108.800 0.142 0.000 2.448 181 G HA2 0.872 4.835 3.960 0.005 0.000 0.324 181 G HA3 0.872 4.835 3.960 0.005 0.000 0.324 181 G C -1.036 173.956 174.900 0.152 0.000 1.203 181 G CA -0.949 44.245 45.100 0.158 0.000 0.954 181 G HN 1.134 nan 8.290 nan 0.000 0.480 182 M N 0.459 120.168 119.600 0.182 0.000 2.644 182 M HA 0.796 5.279 4.480 0.005 0.000 0.273 182 M C -1.834 174.705 176.300 0.399 0.000 1.253 182 M CA -1.154 54.275 55.300 0.215 0.000 0.852 182 M CB 2.495 35.124 32.600 0.048 0.000 1.708 182 M HN 0.813 nan 8.290 nan 0.000 0.471 183 Y N -1.523 118.943 120.300 0.277 0.000 2.638 183 Y HA 0.813 5.366 4.550 0.005 0.000 0.335 183 Y C -2.011 174.052 175.900 0.272 0.000 1.155 183 Y CA -0.871 57.401 58.100 0.287 0.000 1.046 183 Y CB 1.459 40.025 38.460 0.176 0.000 1.303 183 Y HN 0.921 nan 8.280 nan 0.000 0.460 184 N N 0.562 119.379 118.700 0.195 0.000 2.774 184 N HA 0.368 5.111 4.740 0.005 0.000 0.264 184 N C -2.047 173.641 175.510 0.298 0.000 1.415 184 N CA -0.621 52.554 53.050 0.207 0.000 0.815 184 N CB 2.910 41.547 38.487 0.250 0.000 1.514 184 N HN 0.875 nan 8.380 nan 0.000 0.523 185 Q N 0.357 120.325 119.800 0.280 0.000 2.353 185 Q HA 0.308 4.651 4.340 0.005 0.000 0.268 185 Q C -0.272 175.728 176.000 -0.001 0.000 1.045 185 Q CA -0.598 55.294 55.803 0.147 0.000 0.811 185 Q CB 1.480 30.296 28.738 0.130 0.000 1.305 185 Q HN 0.466 nan 8.270 nan 0.000 0.447 186 D N 1.815 122.195 120.400 -0.034 0.000 2.116 186 D HA -0.200 4.443 4.640 0.005 0.000 0.193 186 D C 1.297 177.553 176.300 -0.074 0.000 0.998 186 D CA 1.383 55.338 54.000 -0.075 0.000 0.836 186 D CB 0.327 41.097 40.800 -0.050 0.000 0.951 186 D HN 0.315 nan 8.370 nan 0.000 0.449 187 K N 0.649 121.015 120.400 -0.057 0.000 2.057 187 K HA -0.056 4.267 4.320 0.005 0.000 0.207 187 K C 2.067 178.627 176.600 -0.066 0.000 1.049 187 K CA 1.294 57.547 56.287 -0.055 0.000 0.931 187 K CB -0.813 31.653 32.500 -0.057 0.000 0.714 187 K HN -0.038 nan 8.250 nan 0.000 0.440 188 S N -0.178 115.462 115.700 -0.101 0.000 2.370 188 S HA -0.060 4.413 4.470 0.005 0.000 0.226 188 S C 1.878 176.464 174.600 -0.022 0.000 1.033 188 S CA 1.419 59.588 58.200 -0.052 0.000 1.011 188 S CB -0.311 62.819 63.200 -0.117 0.000 0.852 188 S HN 0.383 nan 8.310 nan 0.000 0.457 189 I N 0.936 121.433 120.570 -0.121 0.000 2.315 189 I HA -0.135 4.038 4.170 0.005 0.000 0.248 189 I C 2.493 178.517 176.117 -0.155 0.000 1.117 189 I CA 1.179 62.322 61.300 -0.261 0.000 1.404 189 I CB -0.377 37.351 38.000 -0.454 0.000 1.071 189 I HN 0.368 nan 8.210 nan 0.000 0.419 190 E N 0.918 121.054 120.200 -0.106 0.000 2.051 190 E HA -0.231 4.122 4.350 0.005 0.000 0.192 190 E C 1.750 178.361 176.600 0.018 0.000 0.991 190 E CA 1.435 57.799 56.400 -0.060 0.000 0.799 190 E CB -0.038 29.671 29.700 0.015 0.000 0.748 190 E HN 0.402 nan 8.360 nan 0.000 0.449 191 D N 0.251 120.679 120.400 0.048 0.000 2.133 191 D HA -0.190 4.453 4.640 0.005 0.000 0.195 191 D C 1.639 178.000 176.300 0.102 0.000 0.997 191 D CA 0.843 54.898 54.000 0.091 0.000 0.840 191 D CB -0.327 40.512 40.800 0.065 0.000 0.947 191 D HN 0.114 nan 8.370 nan 0.000 0.452 192 F N 1.458 121.326 119.950 -0.136 0.000 2.186 192 F HA -0.040 4.489 4.527 0.004 0.000 0.299 192 F C 2.089 177.718 175.800 -0.284 0.000 1.090 192 F CA 1.140 59.052 58.000 -0.146 0.000 1.307 192 F CB -0.515 38.332 39.000 -0.255 0.000 1.019 192 F HN -0.064 nan 8.300 nan 0.000 0.489 193 A N -0.159 122.173 122.820 -0.815 0.000 1.858 193 A HA -0.214 4.109 4.320 0.005 0.000 0.216 193 A C 2.017 179.068 177.584 -0.890 0.000 1.190 193 A CA 1.958 53.010 52.037 -1.643 0.000 0.617 193 A CB -1.453 16.639 19.000 -1.513 0.000 0.827 193 A HN 0.581 nan 8.150 nan 0.000 0.443 194 H N 0.357 119.252 119.070 -0.292 0.000 2.352 194 H HA -0.125 4.433 4.556 0.004 0.000 0.299 194 H C 2.729 178.014 175.328 -0.072 0.000 1.097 194 H CA 2.279 58.301 56.048 -0.044 0.000 1.311 194 H CB -0.005 29.814 29.762 0.094 0.000 1.377 194 H HN 0.678 nan 8.280 nan 0.000 0.504 195 S N -0.548 115.203 115.700 0.085 0.000 2.382 195 S HA -0.170 4.303 4.470 0.005 0.000 0.228 195 S C 2.214 176.925 174.600 0.185 0.000 1.027 195 S CA 1.344 59.656 58.200 0.187 0.000 0.991 195 S CB -0.286 63.073 63.200 0.265 0.000 0.823 195 S HN 0.267 nan 8.310 nan 0.000 0.469 196 S N 1.536 117.188 115.700 -0.079 0.000 2.355 196 S HA 0.117 4.590 4.470 0.005 0.000 0.222 196 S C 1.459 175.984 174.600 -0.125 0.000 1.031 196 S CA 1.228 59.365 58.200 -0.105 0.000 0.993 196 S CB -0.626 62.343 63.200 -0.385 0.000 0.859 196 S HN 0.558 nan 8.310 nan 0.000 0.453 197 F N 2.111 121.940 119.950 -0.201 0.000 2.171 197 F HA -0.074 4.455 4.527 0.004 0.000 0.300 197 F C 2.627 178.362 175.800 -0.108 0.000 1.090 197 F CA 0.835 58.704 58.000 -0.219 0.000 1.293 197 F CB -0.846 37.568 39.000 -0.977 0.000 1.013 197 F HN 0.218 nan 8.300 nan 0.000 0.486 198 Q N -0.953 118.868 119.800 0.036 0.000 2.119 198 Q HA -0.219 4.124 4.340 0.005 0.000 0.201 198 Q C 2.221 178.248 176.000 0.044 0.000 0.972 198 Q CA 1.583 57.444 55.803 0.097 0.000 0.847 198 Q CB -0.343 28.479 28.738 0.140 0.000 0.903 198 Q HN 0.336 nan 8.270 nan 0.000 0.433 199 M N 0.645 120.265 119.600 0.033 0.000 2.159 199 M HA -0.095 4.388 4.480 0.005 0.000 0.263 199 M C 1.908 178.202 176.300 -0.009 0.000 1.063 199 M CA 1.722 56.986 55.300 -0.061 0.000 1.110 199 M CB -0.374 32.149 32.600 -0.128 0.000 1.374 199 M HN 0.156 nan 8.290 nan 0.000 0.411 200 A N 0.000 122.859 122.820 0.064 0.000 1.858 200 A HA -0.106 4.217 4.320 0.005 0.000 0.216 200 A C 1.995 179.485 177.584 -0.157 0.000 1.190 200 A CA 1.593 53.650 52.037 0.034 0.000 0.617 200 A CB -1.095 17.999 19.000 0.157 0.000 0.827 200 A HN 0.488 nan 8.150 nan 0.000 0.443 201 L N -0.058 121.054 121.223 -0.186 0.000 2.079 201 L HA -0.132 4.211 4.340 0.005 0.000 0.210 201 L C 2.785 179.552 176.870 -0.171 0.000 1.081 201 L CA 2.150 56.857 54.840 -0.221 0.000 0.752 201 L CB -1.241 40.784 42.059 -0.058 0.000 0.896 201 L HN 0.427 nan 8.230 nan 0.000 0.433 202 S N -1.310 114.314 115.700 -0.126 0.000 2.383 202 S HA -0.123 4.350 4.470 0.005 0.000 0.227 202 S C 1.890 176.352 174.600 -0.229 0.000 1.026 202 S CA 1.020 59.136 58.200 -0.140 0.000 0.981 202 S CB 0.046 63.178 63.200 -0.112 0.000 0.818 202 S HN 0.340 nan 8.310 nan 0.000 0.472 203 K N -0.213 120.016 120.400 -0.285 0.000 2.356 203 K HA 0.203 4.526 4.320 0.005 0.000 0.195 203 K C 1.360 177.487 176.600 -0.789 0.000 1.037 203 K CA 0.757 56.704 56.287 -0.567 0.000 1.014 203 K CB -0.055 32.178 32.500 -0.445 0.000 0.815 203 K HN 0.460 nan 8.250 nan 0.000 0.507 204 G N 1.431 109.941 108.800 -0.484 0.000 2.153 204 G HA2 -0.187 3.776 3.960 0.005 0.000 0.252 204 G HA3 -0.187 3.776 3.960 0.005 0.000 0.252 204 G C -0.387 174.281 174.900 -0.387 0.000 0.994 204 G CA 0.021 44.860 45.100 -0.434 0.000 0.698 204 G HN 0.098 nan 8.290 nan 0.000 0.521 205 W N 0.556 121.756 121.300 -0.168 0.000 2.512 205 W HA 0.513 5.176 4.660 0.004 0.000 0.335 205 W C -1.779 174.585 176.519 -0.259 0.000 1.088 205 W CA -2.892 54.351 57.345 -0.170 0.000 1.236 205 W CB 0.773 30.187 29.460 -0.077 0.000 1.307 205 W HN -0.012 nan 8.180 nan 0.000 0.567 206 P HA 0.086 nan 4.420 nan 0.000 0.270 206 P C -0.792 176.377 177.300 -0.218 0.000 1.223 206 P CA -0.168 62.613 63.100 -0.531 0.000 0.785 206 P CB 1.107 31.930 31.700 -1.461 0.000 0.923 207 L N 2.885 124.015 121.223 -0.156 0.000 2.341 207 L HA 0.504 4.846 4.340 0.005 0.000 0.278 207 L C -1.377 175.371 176.870 -0.204 0.000 1.005 207 L CA -0.673 54.198 54.840 0.052 0.000 0.818 207 L CB 0.934 43.196 42.059 0.337 0.000 1.259 207 L HN 0.178 nan 8.230 nan 0.000 0.418 208 Y N 4.907 125.301 120.300 0.157 0.000 2.393 208 Y HA 0.625 5.178 4.550 0.005 0.000 0.341 208 Y C -0.577 175.394 175.900 0.117 0.000 0.988 208 Y CA -0.730 57.370 58.100 0.001 0.000 1.078 208 Y CB 1.949 40.244 38.460 -0.274 0.000 1.203 208 Y HN 0.550 nan 8.280 nan 0.000 0.453 209 L N 3.617 124.957 121.223 0.194 0.000 2.307 209 L HA 0.714 5.057 4.340 0.005 0.000 0.284 209 L C -0.359 176.486 176.870 -0.043 0.000 1.023 209 L CA -0.366 54.516 54.840 0.070 0.000 0.810 209 L CB 1.278 43.276 42.059 -0.102 0.000 1.231 209 L HN 0.624 nan 8.230 nan 0.000 0.423 210 S N 2.416 118.164 115.700 0.081 0.000 2.454 210 S HA 0.911 5.384 4.470 0.005 0.000 0.306 210 S C -0.164 174.445 174.600 0.014 0.000 1.100 210 S CA -0.015 58.186 58.200 0.003 0.000 1.087 210 S CB 1.412 64.790 63.200 0.297 0.000 1.019 210 S HN 0.943 nan 8.310 nan 0.000 0.480 211 T N -0.710 113.837 114.554 -0.012 0.000 2.696 211 T HA 0.667 5.020 4.350 0.005 0.000 0.291 211 T C -0.844 173.924 174.700 0.113 0.000 1.095 211 T CA -0.804 61.365 62.100 0.115 0.000 1.026 211 T CB 1.544 70.577 68.868 0.275 0.000 1.390 211 T HN 0.442 nan 8.240 nan 0.000 0.513 212 K N 1.222 121.683 120.400 0.101 0.000 3.167 212 K HA 0.315 4.638 4.320 0.005 0.000 0.208 212 K C 1.322 177.976 176.600 0.089 0.000 1.159 212 K CA -0.397 55.934 56.287 0.074 0.000 1.018 212 K CB -0.622 31.892 32.500 0.024 0.000 0.927 212 K HN 0.605 nan 8.250 nan 0.000 0.476 213 N N -0.545 118.237 118.700 0.138 0.000 2.453 213 N HA -0.161 4.582 4.740 0.005 0.000 0.183 213 N C 0.867 176.415 175.510 0.063 0.000 1.041 213 N CA 1.671 54.781 53.050 0.099 0.000 0.900 213 N CB -0.096 38.423 38.487 0.055 0.000 0.961 213 N HN 0.309 nan 8.380 nan 0.000 0.443 214 T N -1.272 113.319 114.554 0.061 0.000 2.915 214 T HA 0.040 4.393 4.350 0.005 0.000 0.269 214 T C 1.917 176.632 174.700 0.026 0.000 1.071 214 T CA 0.542 62.664 62.100 0.038 0.000 1.132 214 T CB -0.004 68.884 68.868 0.034 0.000 0.878 214 T HN 0.060 nan 8.240 nan 0.000 0.479 215 I N 0.537 121.122 120.570 0.024 0.000 2.685 215 I HA 0.315 4.488 4.170 0.005 0.000 0.251 215 I C 1.159 177.281 176.117 0.008 0.000 1.102 215 I CA 0.412 61.716 61.300 0.006 0.000 1.442 215 I CB -0.690 37.304 38.000 -0.010 0.000 1.194 215 I HN 0.251 nan 8.210 nan 0.000 0.448 216 L N 2.089 123.327 121.223 0.025 0.000 2.449 216 L HA 0.213 4.556 4.340 0.005 0.000 0.255 216 L C 1.371 178.298 176.870 0.096 0.000 1.167 216 L CA -0.107 54.764 54.840 0.052 0.000 1.090 216 L CB 0.263 42.351 42.059 0.047 0.000 1.385 216 L HN 0.094 nan 8.230 nan 0.000 0.411 217 K N 0.760 121.200 120.400 0.066 0.000 2.097 217 K HA -0.121 4.202 4.320 0.005 0.000 0.205 217 K C 1.569 178.217 176.600 0.080 0.000 1.050 217 K CA 1.264 57.588 56.287 0.061 0.000 0.938 217 K CB 0.227 32.749 32.500 0.036 0.000 0.718 217 K HN 0.335 nan 8.250 nan 0.000 0.442 218 K N -0.503 119.952 120.400 0.091 0.000 2.099 218 K HA -0.032 4.291 4.320 0.005 0.000 0.203 218 K C 1.919 178.609 176.600 0.150 0.000 1.047 218 K CA 0.622 56.964 56.287 0.092 0.000 0.963 218 K CB -0.167 32.363 32.500 0.050 0.000 0.759 218 K HN 0.020 nan 8.250 nan 0.000 0.451 219 Y N 2.106 122.454 120.300 0.080 0.000 2.089 219 Y HA -0.252 4.302 4.550 0.006 0.000 0.282 219 Y C 1.585 177.637 175.900 0.254 0.000 1.139 219 Y CA 1.912 60.100 58.100 0.147 0.000 1.123 219 Y CB -0.011 38.512 38.460 0.104 0.000 0.980 219 Y HN 0.078 nan 8.280 nan 0.000 0.493 220 D N -1.064 119.597 120.400 0.434 0.000 2.194 220 D HA -0.038 4.605 4.640 0.005 0.000 0.204 220 D C 2.306 178.779 176.300 0.288 0.000 0.964 220 D CA 1.189 55.400 54.000 0.351 0.000 0.846 220 D CB -0.783 40.137 40.800 0.200 0.000 0.962 220 D HN 0.492 nan 8.370 nan 0.000 0.490 221 G N 0.620 109.532 108.800 0.188 0.000 2.450 221 G HA2 -0.317 3.646 3.960 0.005 0.000 0.220 221 G HA3 -0.317 3.646 3.960 0.005 0.000 0.220 221 G C 1.785 176.764 174.900 0.132 0.000 1.130 221 G CA 0.674 45.841 45.100 0.112 0.000 0.760 221 G HN 0.182 nan 8.290 nan 0.000 0.557 222 R N -0.359 120.235 120.500 0.157 0.000 2.081 222 R HA 0.030 4.373 4.340 0.005 0.000 0.235 222 R C 2.187 178.562 176.300 0.125 0.000 1.131 222 R CA 1.163 57.320 56.100 0.094 0.000 0.960 222 R CB -0.610 29.694 30.300 0.007 0.000 0.856 222 R HN 0.352 nan 8.270 nan 0.000 0.436 223 F N 1.032 121.058 119.950 0.126 0.000 2.069 223 F HA -0.174 4.357 4.527 0.007 0.000 0.298 223 F C 2.398 178.327 175.800 0.216 0.000 1.113 223 F CA 1.991 60.118 58.000 0.211 0.000 1.214 223 F CB -0.502 38.621 39.000 0.205 0.000 0.978 223 F HN 0.052 nan 8.300 nan 0.000 0.474 224 K N 0.328 120.918 120.400 0.317 0.000 2.044 224 K HA -0.228 4.095 4.320 0.005 0.000 0.210 224 K C 1.667 178.383 176.600 0.195 0.000 1.049 224 K CA 2.162 58.548 56.287 0.165 0.000 0.927 224 K CB -0.313 32.101 32.500 -0.143 0.000 0.713 224 K HN 0.161 nan 8.250 nan 0.000 0.443 225 D N 0.659 121.146 120.400 0.145 0.000 2.117 225 D HA -0.121 4.522 4.640 0.005 0.000 0.198 225 D C 2.040 178.423 176.300 0.138 0.000 0.982 225 D CA 1.023 55.094 54.000 0.118 0.000 0.828 225 D CB -0.177 40.666 40.800 0.072 0.000 0.967 225 D HN 0.284 nan 8.370 nan 0.000 0.464 226 I N 0.197 120.848 120.570 0.137 0.000 2.163 226 I HA -0.284 3.889 4.170 0.005 0.000 0.243 226 I C 2.135 178.317 176.117 0.108 0.000 1.085 226 I CA 0.834 62.183 61.300 0.081 0.000 1.347 226 I CB -0.145 37.857 38.000 0.003 0.000 1.044 226 I HN -0.123 nan 8.210 nan 0.000 0.408 227 F N 0.608 120.574 119.950 0.027 0.000 2.095 227 F HA -0.315 4.215 4.527 0.005 0.000 0.298 227 F C 2.730 178.613 175.800 0.139 0.000 1.104 227 F CA 1.946 59.961 58.000 0.025 0.000 1.232 227 F CB -0.649 38.309 39.000 -0.071 0.000 0.987 227 F HN 0.084 nan 8.300 nan 0.000 0.475 228 Q N 0.563 120.574 119.800 0.351 0.000 2.046 228 Q HA -0.168 4.174 4.340 0.005 0.000 0.200 228 Q C 1.990 178.106 176.000 0.192 0.000 0.975 228 Q CA 1.847 57.840 55.803 0.316 0.000 0.836 228 Q CB -0.323 28.578 28.738 0.271 0.000 0.896 228 Q HN 0.474 nan 8.270 nan 0.000 0.428 229 E N -0.218 120.054 120.200 0.120 0.000 2.070 229 E HA -0.207 4.146 4.350 0.005 0.000 0.197 229 E C 1.993 178.594 176.600 0.001 0.000 1.004 229 E CA 1.547 57.978 56.400 0.052 0.000 0.805 229 E CB -0.255 29.465 29.700 0.033 0.000 0.744 229 E HN 0.423 nan 8.360 nan 0.000 0.451 230 I N 0.051 120.611 120.570 -0.017 0.000 2.439 230 I HA -0.230 3.943 4.170 0.005 0.000 0.251 230 I C 2.325 178.313 176.117 -0.215 0.000 1.139 230 I CA 0.674 61.912 61.300 -0.103 0.000 1.438 230 I CB -0.156 37.750 38.000 -0.157 0.000 1.085 230 I HN 0.140 nan 8.210 nan 0.000 0.427 231 Y N 2.098 122.124 120.300 -0.456 0.000 2.114 231 Y HA -0.306 4.247 4.550 0.004 0.000 0.284 231 Y C 2.191 177.888 175.900 -0.339 0.000 1.143 231 Y CA 1.783 59.455 58.100 -0.713 0.000 1.135 231 Y CB -0.334 37.778 38.460 -0.579 0.000 0.980 231 Y HN 0.175 nan 8.280 nan 0.000 0.499 232 D N -0.005 120.281 120.400 -0.190 0.000 2.117 232 D HA -0.147 4.496 4.640 0.005 0.000 0.197 232 D C 1.940 178.102 176.300 -0.229 0.000 0.987 232 D CA 1.585 55.462 54.000 -0.205 0.000 0.829 232 D CB -0.154 40.626 40.800 -0.034 0.000 0.961 232 D HN 0.348 nan 8.370 nan 0.000 0.460 233 K N -0.356 119.933 120.400 -0.186 0.000 2.314 233 K HA 0.098 4.421 4.320 0.005 0.000 0.198 233 K C 1.777 178.240 176.600 -0.228 0.000 1.045 233 K CA 0.579 56.767 56.287 -0.165 0.000 0.988 233 K CB 0.402 32.840 32.500 -0.104 0.000 0.783 233 K HN 0.076 nan 8.250 nan 0.000 0.484 234 Q N -2.352 117.250 119.800 -0.329 0.000 2.215 234 Q HA 0.135 4.478 4.340 0.005 0.000 0.257 234 Q C 0.328 175.878 176.000 -0.749 0.000 0.792 234 Q CA 0.178 55.683 55.803 -0.497 0.000 0.958 234 Q CB 0.835 29.270 28.738 -0.504 0.000 1.158 234 Q HN 0.233 nan 8.270 nan 0.000 0.490 235 Y N -0.509 119.532 120.300 -0.431 0.000 2.441 235 Y HA 0.225 4.778 4.550 0.004 0.000 0.266 235 Y C 1.848 177.519 175.900 -0.380 0.000 1.093 235 Y CA -0.254 57.642 58.100 -0.339 0.000 1.246 235 Y CB 0.618 38.816 38.460 -0.435 0.000 1.262 235 Y HN -0.144 nan 8.280 nan 0.000 0.518 236 K N 1.137 121.136 120.400 -0.667 0.000 2.001 236 K HA -0.225 4.097 4.320 0.005 0.000 0.214 236 K C 2.105 178.618 176.600 -0.145 0.000 1.050 236 K CA 2.419 58.255 56.287 -0.751 0.000 0.934 236 K CB -0.177 31.831 32.500 -0.819 0.000 0.718 236 K HN 0.358 nan 8.250 nan 0.000 0.443 237 S N 0.823 116.457 115.700 -0.109 0.000 2.370 237 S HA -0.233 4.239 4.470 0.005 0.000 0.226 237 S C 1.964 176.608 174.600 0.072 0.000 1.033 237 S CA 1.425 59.621 58.200 -0.007 0.000 1.011 237 S CB -0.566 62.614 63.200 -0.033 0.000 0.852 237 S HN 0.437 nan 8.310 nan 0.000 0.457 238 Q N 0.102 119.959 119.800 0.095 0.000 2.135 238 Q HA -0.059 4.284 4.340 0.005 0.000 0.204 238 Q C 1.827 177.949 176.000 0.203 0.000 0.981 238 Q CA 1.425 57.311 55.803 0.140 0.000 0.856 238 Q CB -0.448 28.391 28.738 0.168 0.000 0.902 238 Q HN 0.535 nan 8.270 nan 0.000 0.425 239 F N 1.533 121.538 119.950 0.093 0.000 2.075 239 F HA -0.163 4.367 4.527 0.005 0.000 0.297 239 F C 2.186 178.074 175.800 0.147 0.000 1.113 239 F CA 1.428 59.525 58.000 0.161 0.000 1.218 239 F CB -0.369 38.814 39.000 0.306 0.000 0.984 239 F HN 0.072 nan 8.300 nan 0.000 0.472 240 E N -0.091 120.306 120.200 0.329 0.000 2.085 240 E HA -0.238 4.115 4.350 0.005 0.000 0.194 240 E C 2.368 179.054 176.600 0.144 0.000 0.994 240 E CA 1.097 57.633 56.400 0.226 0.000 0.801 240 E CB -0.445 29.354 29.700 0.165 0.000 0.743 240 E HN 0.378 nan 8.360 nan 0.000 0.453 241 A N 1.306 124.190 122.820 0.107 0.000 1.940 241 A HA -0.232 4.091 4.320 0.005 0.000 0.219 241 A C 1.930 179.541 177.584 0.046 0.000 1.176 241 A CA 1.360 53.434 52.037 0.062 0.000 0.631 241 A CB -0.311 18.714 19.000 0.041 0.000 0.814 241 A HN 0.190 nan 8.150 nan 0.000 0.446 242 Q N -1.178 118.642 119.800 0.032 0.000 2.365 242 Q HA 0.110 4.452 4.340 0.005 0.000 0.203 242 Q C -0.550 175.468 176.000 0.029 0.000 0.929 242 Q CA 0.002 55.799 55.803 -0.010 0.000 0.948 242 Q CB 0.126 28.807 28.738 -0.095 0.000 1.043 242 Q HN 0.604 nan 8.270 nan 0.000 0.505 243 K N 0.803 121.264 120.400 0.102 0.000 3.077 243 K HA -0.203 4.120 4.320 0.005 0.000 0.264 243 K C -0.153 176.580 176.600 0.222 0.000 1.008 243 K CA 0.544 56.937 56.287 0.176 0.000 0.740 243 K CB -1.852 30.736 32.500 0.147 0.000 1.273 243 K HN 0.437 nan 8.250 nan 0.000 0.477 244 I N -3.553 117.124 120.570 0.179 0.000 3.264 244 I HA 0.869 5.042 4.170 0.005 0.000 0.309 244 I C -0.116 176.278 176.117 0.461 0.000 1.099 244 I CA -1.156 60.194 61.300 0.084 0.000 0.989 244 I CB 1.348 39.205 38.000 -0.237 0.000 1.250 244 I HN 0.126 nan 8.210 nan 0.000 0.478 245 W N 0.596 122.124 121.300 0.381 0.000 3.075 245 W HA 0.689 5.351 4.660 0.004 0.000 0.334 245 W C -2.220 174.499 176.519 0.333 0.000 1.243 245 W CA -1.229 56.355 57.345 0.399 0.000 1.170 245 W CB 0.354 29.903 29.460 0.147 0.000 1.452 245 W HN 0.641 nan 8.180 nan 0.000 0.572 246 Y N 2.370 122.728 120.300 0.097 0.000 2.393 246 Y HA 0.633 5.186 4.550 0.005 0.000 0.341 246 Y C -0.696 175.136 175.900 -0.113 0.000 0.988 246 Y CA -1.283 56.681 58.100 -0.227 0.000 1.078 246 Y CB 1.676 39.682 38.460 -0.756 0.000 1.203 246 Y HN 0.659 nan 8.280 nan 0.000 0.453 247 E N 4.578 124.219 120.200 -0.932 0.000 2.352 247 E HA 0.211 4.563 4.350 0.005 0.000 0.280 247 E C -1.835 174.372 176.600 -0.655 0.000 0.930 247 E CA -1.024 54.907 56.400 -0.781 0.000 0.765 247 E CB 1.466 31.061 29.700 -0.175 0.000 1.219 247 E HN 0.772 nan 8.360 nan 0.000 0.434 248 H N 3.022 121.776 119.070 -0.526 0.000 2.610 248 H HA 0.414 4.974 4.556 0.005 0.000 0.336 248 H C -0.927 174.343 175.328 -0.096 0.000 1.087 248 H CA -0.060 55.867 56.048 -0.203 0.000 1.405 248 H CB 0.942 30.662 29.762 -0.069 0.000 1.460 248 H HN 0.540 nan 8.280 nan 0.000 0.538 249 R N 4.037 124.145 120.500 -0.654 0.000 2.744 249 R HA 0.329 4.672 4.340 0.005 0.000 0.279 249 R C -0.346 175.627 176.300 -0.545 0.000 0.977 249 R CA -0.974 54.860 56.100 -0.443 0.000 0.906 249 R CB 2.248 32.352 30.300 -0.327 0.000 1.197 249 R HN 0.501 nan 8.270 nan 0.000 0.463 250 L N 2.826 123.913 121.223 -0.226 0.000 2.506 250 L HA -0.041 4.302 4.340 0.005 0.000 0.281 250 L C 1.755 178.560 176.870 -0.108 0.000 1.228 250 L CA 0.170 54.952 54.840 -0.097 0.000 0.850 250 L CB 0.234 42.288 42.059 -0.009 0.000 1.110 250 L HN 0.685 nan 8.230 nan 0.000 0.496 251 I N 1.590 122.138 120.570 -0.037 0.000 2.264 251 I HA -0.277 3.896 4.170 0.005 0.000 0.248 251 I C 1.675 177.796 176.117 0.006 0.000 1.111 251 I CA 1.843 63.154 61.300 0.019 0.000 1.382 251 I CB -0.267 37.778 38.000 0.075 0.000 1.060 251 I HN 0.743 nan 8.210 nan 0.000 0.418 252 D N 0.101 120.495 120.400 -0.009 0.000 2.106 252 D HA -0.274 4.369 4.640 0.005 0.000 0.191 252 D C 1.875 178.143 176.300 -0.054 0.000 0.997 252 D CA 1.740 55.729 54.000 -0.017 0.000 0.834 252 D CB -0.470 40.319 40.800 -0.019 0.000 0.956 252 D HN 0.517 nan 8.370 nan 0.000 0.448 253 D N -0.486 119.862 120.400 -0.086 0.000 2.117 253 D HA -0.173 4.470 4.640 0.005 0.000 0.197 253 D C 1.884 178.058 176.300 -0.211 0.000 0.987 253 D CA 0.797 54.718 54.000 -0.131 0.000 0.829 253 D CB -0.124 40.596 40.800 -0.132 0.000 0.961 253 D HN 0.029 nan 8.370 nan 0.000 0.460 254 M N 0.326 119.770 119.600 -0.261 0.000 2.080 254 M HA -0.124 4.358 4.480 0.005 0.000 0.260 254 M C 2.176 178.206 176.300 -0.450 0.000 1.068 254 M CA 1.821 56.843 55.300 -0.462 0.000 1.109 254 M CB -0.630 31.686 32.600 -0.472 0.000 1.342 254 M HN 0.128 nan 8.290 nan 0.000 0.405 255 V N -1.300 118.507 119.914 -0.178 0.000 2.427 255 V HA -0.071 4.051 4.120 0.005 0.000 0.248 255 V C 2.310 178.378 176.094 -0.043 0.000 1.051 255 V CA 1.683 63.967 62.300 -0.028 0.000 1.048 255 V CB -2.265 29.643 31.823 0.142 0.000 0.666 255 V HN 0.490 nan 8.190 nan 0.000 0.456 256 A N -0.316 122.460 122.820 -0.073 0.000 1.877 256 A HA -0.177 4.146 4.320 0.005 0.000 0.216 256 A C 2.268 179.796 177.584 -0.094 0.000 1.186 256 A CA 1.857 53.857 52.037 -0.063 0.000 0.620 256 A CB -0.656 18.303 19.000 -0.068 0.000 0.822 256 A HN 0.589 nan 8.150 nan 0.000 0.443 257 Q N -0.440 119.246 119.800 -0.189 0.000 2.050 257 Q HA -0.163 4.180 4.340 0.005 0.000 0.202 257 Q C 2.487 178.370 176.000 -0.195 0.000 0.980 257 Q CA 1.702 57.361 55.803 -0.240 0.000 0.840 257 Q CB -0.784 27.704 28.738 -0.417 0.000 0.898 257 Q HN 0.651 nan 8.270 nan 0.000 0.424 258 A N 0.948 123.617 122.820 -0.252 0.000 1.883 258 A HA -0.239 4.084 4.320 0.005 0.000 0.217 258 A C 2.181 179.945 177.584 0.300 0.000 1.186 258 A CA 2.002 54.006 52.037 -0.055 0.000 0.624 258 A CB -0.598 18.297 19.000 -0.176 0.000 0.822 258 A HN 0.370 nan 8.150 nan 0.000 0.444 259 M N 0.733 120.485 119.600 0.253 0.000 2.106 259 M HA -0.195 4.287 4.480 0.005 0.000 0.259 259 M C 1.817 178.210 176.300 0.154 0.000 1.068 259 M CA 2.526 57.978 55.300 0.253 0.000 1.100 259 M CB -0.348 32.301 32.600 0.083 0.000 1.351 259 M HN 0.510 nan 8.290 nan 0.000 0.404 260 K N -0.250 120.208 120.400 0.096 0.000 2.387 260 K HA 0.163 4.486 4.320 0.005 0.000 0.198 260 K C 0.245 176.906 176.600 0.101 0.000 1.022 260 K CA 0.373 56.688 56.287 0.048 0.000 1.128 260 K CB -0.218 32.281 32.500 -0.002 0.000 0.853 260 K HN 0.407 nan 8.250 nan 0.000 0.523 261 S N 1.119 116.942 115.700 0.204 0.000 2.655 261 S HA 0.032 4.505 4.470 0.005 0.000 0.265 261 S C 0.680 175.452 174.600 0.287 0.000 1.240 261 S CA -0.485 57.840 58.200 0.209 0.000 0.986 261 S CB 1.189 64.526 63.200 0.229 0.000 0.985 261 S HN 0.458 nan 8.310 nan 0.000 0.562 262 E N -0.078 120.258 120.200 0.228 0.000 2.451 262 E HA 0.450 4.803 4.350 0.005 0.000 0.194 262 E C 0.940 177.641 176.600 0.169 0.000 1.027 262 E CA -0.309 56.219 56.400 0.213 0.000 0.914 262 E CB -0.826 28.964 29.700 0.149 0.000 1.054 262 E HN 1.154 nan 8.360 nan 0.000 0.461 263 G N 0.591 109.469 108.800 0.130 0.000 2.693 263 G HA2 -0.027 3.936 3.960 0.005 0.000 0.226 263 G HA3 -0.027 3.936 3.960 0.005 0.000 0.226 263 G C 0.608 175.407 174.900 -0.168 0.000 1.354 263 G CA -0.188 44.814 45.100 -0.164 0.000 0.873 263 G HN 1.216 nan 8.290 nan 0.000 0.562 264 G N -2.210 106.247 108.800 -0.573 0.000 2.370 264 G HA2 0.433 4.396 3.960 0.005 0.000 0.268 264 G HA3 0.433 4.396 3.960 0.005 0.000 0.268 264 G C 0.035 174.558 174.900 -0.629 0.000 1.122 264 G CA 0.940 45.539 45.100 -0.834 0.000 0.963 264 G HN 2.414 nan 8.290 nan 0.000 0.500 265 F N -1.714 117.912 119.950 -0.541 0.000 2.686 265 F HA 0.825 5.354 4.527 0.005 0.000 0.311 265 F C -0.687 175.099 175.800 -0.024 0.000 1.128 265 F CA -2.573 55.329 58.000 -0.163 0.000 0.946 265 F CB 0.813 39.861 39.000 0.080 0.000 1.336 265 F HN 0.019 nan 8.300 nan 0.000 0.457 266 I N 2.084 122.896 120.570 0.403 0.000 2.353 266 I HA 0.153 4.326 4.170 0.005 0.000 0.293 266 I C -1.136 175.371 176.117 0.650 0.000 0.992 266 I CA -0.643 60.904 61.300 0.412 0.000 1.268 266 I CB 1.081 39.289 38.000 0.347 0.000 1.387 266 I HN 0.790 nan 8.210 nan 0.000 0.478 267 W N 7.488 129.017 121.300 0.382 0.000 2.336 267 W HA 0.690 5.353 4.660 0.004 0.000 0.315 267 W C -0.762 175.914 176.519 0.262 0.000 1.016 267 W CA -1.820 55.750 57.345 0.375 0.000 1.318 267 W CB 1.278 30.977 29.460 0.397 0.000 1.247 267 W HN 0.573 nan 8.180 nan 0.000 0.414 268 A N 5.116 128.276 122.820 0.567 0.000 2.320 268 A HA 0.662 4.985 4.320 0.005 0.000 0.287 268 A C -0.667 177.137 177.584 0.367 0.000 1.181 268 A CA -0.019 52.247 52.037 0.382 0.000 0.831 268 A CB 0.149 19.230 19.000 0.135 0.000 1.102 268 A HN 0.581 nan 8.150 nan 0.000 0.513 269 C N 2.223 121.714 119.300 0.318 0.000 2.707 269 C HA 0.507 4.970 4.460 0.005 0.000 0.313 269 C C 0.539 175.620 174.990 0.151 0.000 1.209 269 C CA -0.916 58.164 59.018 0.104 0.000 1.635 269 C CB 1.757 29.363 27.740 -0.224 0.000 2.206 269 C HN 0.959 nan 8.230 nan 0.000 0.485 270 K N 1.369 121.780 120.400 0.019 0.000 2.180 270 K HA 0.049 4.372 4.320 0.005 0.000 0.251 270 K C 1.059 177.626 176.600 -0.056 0.000 1.014 270 K CA -0.129 56.117 56.287 -0.068 0.000 0.913 270 K CB 0.404 32.779 32.500 -0.208 0.000 1.008 270 K HN 0.573 nan 8.250 nan 0.000 0.490 271 N N 0.974 119.666 118.700 -0.014 0.000 2.049 271 N HA -0.267 4.476 4.740 0.005 0.000 0.198 271 N C 1.598 177.044 175.510 -0.105 0.000 1.030 271 N CA 1.724 54.773 53.050 -0.000 0.000 0.870 271 N CB -0.316 38.198 38.487 0.045 0.000 1.045 271 N HN 0.576 nan 8.380 nan 0.000 0.434 272 Y N 1.224 121.442 120.300 -0.137 0.000 2.163 272 Y HA -0.129 4.424 4.550 0.005 0.000 0.288 272 Y C 1.874 177.652 175.900 -0.204 0.000 1.136 272 Y CA 1.811 59.821 58.100 -0.150 0.000 1.147 272 Y CB -0.386 37.993 38.460 -0.134 0.000 0.987 272 Y HN 0.114 nan 8.280 nan 0.000 0.509 273 D N -0.542 119.764 120.400 -0.158 0.000 2.144 273 D HA -0.117 4.526 4.640 0.005 0.000 0.200 273 D C 2.322 178.359 176.300 -0.438 0.000 0.978 273 D CA 1.394 55.242 54.000 -0.254 0.000 0.833 273 D CB -0.739 39.995 40.800 -0.111 0.000 0.961 273 D HN 0.535 nan 8.370 nan 0.000 0.470 274 G N 1.001 109.512 108.800 -0.483 0.000 2.421 274 G HA2 -0.296 3.667 3.960 0.005 0.000 0.216 274 G HA3 -0.296 3.667 3.960 0.005 0.000 0.216 274 G C 1.449 175.909 174.900 -0.734 0.000 1.171 274 G CA 0.949 45.670 45.100 -0.632 0.000 0.775 274 G HN 0.161 nan 8.290 nan 0.000 0.543 275 D N 0.260 120.163 120.400 -0.830 0.000 2.106 275 D HA -0.129 4.514 4.640 0.005 0.000 0.191 275 D C 2.679 178.741 176.300 -0.395 0.000 0.997 275 D CA 1.361 55.042 54.000 -0.532 0.000 0.834 275 D CB -0.348 40.228 40.800 -0.373 0.000 0.956 275 D HN 0.194 nan 8.370 nan 0.000 0.448 276 V N 0.756 120.385 119.914 -0.474 0.000 2.302 276 V HA -0.144 3.979 4.120 0.005 0.000 0.243 276 V C 2.541 178.482 176.094 -0.254 0.000 1.036 276 V CA 1.236 63.313 62.300 -0.372 0.000 1.020 276 V CB -0.474 31.065 31.823 -0.473 0.000 0.657 276 V HN 0.193 nan 8.190 nan 0.000 0.453 277 Q N 0.565 120.184 119.800 -0.302 0.000 2.224 277 Q HA -0.121 4.222 4.340 0.005 0.000 0.203 277 Q C 2.557 178.437 176.000 -0.201 0.000 0.970 277 Q CA 1.712 57.366 55.803 -0.248 0.000 0.865 277 Q CB -0.650 27.795 28.738 -0.488 0.000 0.922 277 Q HN 0.809 nan 8.270 nan 0.000 0.445 278 S N 0.820 116.380 115.700 -0.233 0.000 2.382 278 S HA -0.150 4.323 4.470 0.005 0.000 0.228 278 S C 1.416 175.988 174.600 -0.046 0.000 1.027 278 S CA 1.194 59.317 58.200 -0.129 0.000 0.991 278 S CB -0.074 63.055 63.200 -0.119 0.000 0.823 278 S HN 0.226 nan 8.310 nan 0.000 0.469 279 D N 1.292 121.656 120.400 -0.060 0.000 2.117 279 D HA -0.049 4.594 4.640 0.005 0.000 0.198 279 D C 2.166 178.485 176.300 0.031 0.000 0.982 279 D CA 1.331 55.324 54.000 -0.013 0.000 0.828 279 D CB -0.586 40.191 40.800 -0.038 0.000 0.967 279 D HN 0.502 nan 8.370 nan 0.000 0.464 280 S N 0.142 115.860 115.700 0.029 0.000 2.370 280 S HA -0.129 4.343 4.470 0.005 0.000 0.226 280 S C 2.147 176.868 174.600 0.202 0.000 1.033 280 S CA 0.888 59.145 58.200 0.095 0.000 1.011 280 S CB -0.134 63.128 63.200 0.103 0.000 0.852 280 S HN 0.021 nan 8.310 nan 0.000 0.457 281 V N 1.687 121.721 119.914 0.201 0.000 2.407 281 V HA -0.015 4.108 4.120 0.005 0.000 0.245 281 V C 2.771 179.088 176.094 0.373 0.000 1.041 281 V CA 1.478 63.958 62.300 0.298 0.000 1.040 281 V CB -1.249 30.643 31.823 0.114 0.000 0.671 281 V HN 0.578 nan 8.190 nan 0.000 0.455 282 A N -0.220 122.731 122.820 0.218 0.000 1.892 282 A HA -0.342 3.981 4.320 0.005 0.000 0.218 282 A C 2.173 179.881 177.584 0.207 0.000 1.188 282 A CA 2.491 54.645 52.037 0.196 0.000 0.631 282 A CB -0.586 18.471 19.000 0.095 0.000 0.822 282 A HN 0.542 nan 8.150 nan 0.000 0.447 283 Q N -0.323 119.567 119.800 0.148 0.000 2.119 283 Q HA 0.017 4.360 4.340 0.005 0.000 0.201 283 Q C 1.898 177.955 176.000 0.095 0.000 0.972 283 Q CA 1.891 57.749 55.803 0.093 0.000 0.847 283 Q CB -0.888 27.878 28.738 0.048 0.000 0.903 283 Q HN 0.503 nan 8.270 nan 0.000 0.433 284 G N -1.194 107.696 108.800 0.149 0.000 2.448 284 G HA2 -0.243 3.720 3.960 0.005 0.000 0.219 284 G HA3 -0.243 3.720 3.960 0.005 0.000 0.219 284 G C 0.819 175.713 174.900 -0.011 0.000 1.127 284 G CA 0.707 45.804 45.100 -0.005 0.000 0.766 284 G HN 0.413 nan 8.290 nan 0.000 0.552 285 Y N 0.161 120.618 120.300 0.262 0.000 2.457 285 Y HA 0.278 4.830 4.550 0.005 0.000 0.292 285 Y C 2.278 178.222 175.900 0.074 0.000 1.125 285 Y CA 0.883 59.101 58.100 0.198 0.000 1.254 285 Y CB 0.602 39.170 38.460 0.179 0.000 1.012 285 Y HN 0.303 nan 8.280 nan 0.000 0.555 286 G N -2.165 106.742 108.800 0.177 0.000 4.460 286 G HA2 0.068 4.031 3.960 0.005 0.000 0.182 286 G HA3 0.068 4.031 3.960 0.005 0.000 0.182 286 G C -0.275 174.651 174.900 0.043 0.000 1.512 286 G CA 0.197 45.347 45.100 0.084 0.000 0.856 286 G HN 0.174 nan 8.290 nan 0.000 0.289 287 S N -1.081 114.648 115.700 0.047 0.000 2.552 287 S HA 0.528 5.001 4.470 0.005 0.000 0.272 287 S C 0.420 175.025 174.600 0.008 0.000 1.150 287 S CA -0.362 57.840 58.200 0.003 0.000 0.849 287 S CB 1.092 64.271 63.200 -0.034 0.000 1.113 287 S HN 0.472 nan 8.310 nan 0.000 0.458 288 L N 2.754 123.966 121.223 -0.017 0.000 2.456 288 L HA 0.140 4.483 4.340 0.005 0.000 0.224 288 L C 2.279 179.168 176.870 0.032 0.000 1.148 288 L CA 1.272 56.116 54.840 0.006 0.000 0.825 288 L CB -0.382 41.660 42.059 -0.029 0.000 0.937 288 L HN 0.894 nan 8.230 nan 0.000 0.450 289 G N -1.052 107.718 108.800 -0.050 0.000 2.920 289 G HA2 -0.030 3.933 3.960 0.005 0.000 0.208 289 G HA3 -0.030 3.933 3.960 0.005 0.000 0.208 289 G C 0.986 175.879 174.900 -0.012 0.000 1.159 289 G CA -0.069 45.017 45.100 -0.023 0.000 0.784 289 G HN 0.115 nan 8.290 nan 0.000 0.535 290 M N 0.696 120.276 119.600 -0.033 0.000 3.109 290 M HA 0.515 4.998 4.480 0.005 0.000 0.274 290 M C -0.435 175.804 176.300 -0.101 0.000 1.171 290 M CA -0.180 55.062 55.300 -0.098 0.000 0.856 290 M CB 0.182 32.740 32.600 -0.070 0.000 1.335 290 M HN 0.162 nan 8.290 nan 0.000 0.531 291 M N 1.244 120.793 119.600 -0.084 0.000 2.277 291 M HA 0.432 4.915 4.480 0.005 0.000 0.282 291 M C -0.524 175.740 176.300 -0.059 0.000 1.074 291 M CA -0.188 55.072 55.300 -0.067 0.000 0.954 291 M CB 2.188 34.784 32.600 -0.008 0.000 1.672 291 M HN 0.368 nan 8.290 nan 0.000 0.471 292 T N 0.744 115.271 114.554 -0.045 0.000 2.913 292 T HA 0.652 5.005 4.350 0.005 0.000 0.287 292 T C -0.275 174.446 174.700 0.035 0.000 1.008 292 T CA -0.705 61.416 62.100 0.035 0.000 1.067 292 T CB 1.522 70.459 68.868 0.114 0.000 0.996 292 T HN 0.623 nan 8.240 nan 0.000 0.513 293 S N 1.006 116.730 115.700 0.041 0.000 2.736 293 S HA 0.563 5.035 4.470 0.005 0.000 0.285 293 S C -1.294 173.319 174.600 0.022 0.000 1.163 293 S CA -0.727 57.487 58.200 0.023 0.000 1.025 293 S CB 0.544 63.735 63.200 -0.015 0.000 1.030 293 S HN 0.756 nan 8.310 nan 0.000 0.486 294 V N 5.268 125.208 119.914 0.044 0.000 2.531 294 V HA 0.541 4.664 4.120 0.005 0.000 0.301 294 V C -0.318 175.781 176.094 0.008 0.000 1.034 294 V CA -0.925 61.389 62.300 0.024 0.000 0.865 294 V CB 1.500 33.346 31.823 0.040 0.000 0.995 294 V HN 0.822 nan 8.190 nan 0.000 0.424 295 L N 6.433 127.625 121.223 -0.052 0.000 2.325 295 L HA 0.509 4.852 4.340 0.005 0.000 0.284 295 L C -0.317 176.532 176.870 -0.035 0.000 1.089 295 L CA 0.518 55.310 54.840 -0.079 0.000 0.836 295 L CB 0.969 42.961 42.059 -0.111 0.000 1.184 295 L HN 0.489 nan 8.230 nan 0.000 0.444 296 V N 5.648 125.578 119.914 0.028 0.000 2.350 296 V HA 0.272 4.395 4.120 0.005 0.000 0.276 296 V C 0.313 176.432 176.094 0.042 0.000 1.028 296 V CA -0.609 61.723 62.300 0.053 0.000 0.860 296 V CB 0.807 32.744 31.823 0.190 0.000 0.990 296 V HN 0.922 nan 8.190 nan 0.000 0.453 297 C N 6.893 126.203 119.300 0.016 0.000 2.580 297 C HA 0.249 4.712 4.460 0.005 0.000 0.371 297 C C -0.345 174.671 174.990 0.043 0.000 1.308 297 C CA -0.752 58.278 59.018 0.021 0.000 2.428 297 C CB 0.537 28.283 27.740 0.009 0.000 2.529 297 C HN 0.700 nan 8.230 nan 0.000 0.657 298 P HA -0.102 nan 4.420 nan 0.000 0.222 298 P C 0.926 178.243 177.300 0.029 0.000 1.147 298 P CA 1.348 64.471 63.100 0.037 0.000 0.790 298 P CB -0.121 31.591 31.700 0.019 0.000 0.780 299 D N -1.084 119.331 120.400 0.026 0.000 2.310 299 D HA -0.042 4.601 4.640 0.005 0.000 0.212 299 D C 1.585 177.908 176.300 0.038 0.000 0.965 299 D CA 1.209 55.223 54.000 0.024 0.000 0.879 299 D CB -1.109 39.704 40.800 0.022 0.000 0.921 299 D HN 0.244 nan 8.370 nan 0.000 0.510 300 G N 0.545 109.377 108.800 0.053 0.000 2.179 300 G HA2 -0.393 3.570 3.960 0.005 0.000 0.260 300 G HA3 -0.393 3.570 3.960 0.005 0.000 0.260 300 G C 1.004 175.967 174.900 0.104 0.000 0.977 300 G CA 0.730 45.871 45.100 0.069 0.000 0.641 300 G HN 0.581 nan 8.290 nan 0.000 0.533 301 K N -0.861 119.603 120.400 0.108 0.000 2.424 301 K HA 0.254 4.576 4.320 0.005 0.000 0.200 301 K C 0.807 177.559 176.600 0.253 0.000 1.279 301 K CA 0.970 57.353 56.287 0.160 0.000 0.918 301 K CB 0.554 33.108 32.500 0.090 0.000 1.287 301 K HN 0.261 nan 8.250 nan 0.000 0.502 302 T N 0.847 115.478 114.554 0.129 0.000 2.909 302 T HA 0.456 4.809 4.350 0.005 0.000 0.286 302 T C -1.040 173.658 174.700 -0.004 0.000 1.002 302 T CA -0.446 61.711 62.100 0.096 0.000 1.074 302 T CB 1.961 70.855 68.868 0.044 0.000 0.984 302 T HN -0.114 nan 8.240 nan 0.000 0.495 303 V N 2.028 121.918 119.914 -0.039 0.000 2.851 303 V HA 0.449 4.572 4.120 0.005 0.000 0.307 303 V C -0.882 175.172 176.094 -0.067 0.000 1.129 303 V CA -0.806 61.406 62.300 -0.148 0.000 0.932 303 V CB 2.249 33.791 31.823 -0.468 0.000 1.024 303 V HN 0.915 nan 8.190 nan 0.000 0.426 304 E N 3.423 123.580 120.200 -0.071 0.000 2.199 304 E HA 0.778 5.131 4.350 0.005 0.000 0.265 304 E C -0.944 175.618 176.600 -0.063 0.000 0.882 304 E CA -0.524 55.839 56.400 -0.061 0.000 0.759 304 E CB 2.076 31.734 29.700 -0.070 0.000 1.148 304 E HN 0.852 nan 8.360 nan 0.000 0.412 305 A N 4.161 126.949 122.820 -0.054 0.000 2.320 305 A HA 0.713 5.036 4.320 0.005 0.000 0.334 305 A C -0.845 176.716 177.584 -0.040 0.000 1.147 305 A CA -0.510 51.507 52.037 -0.034 0.000 0.820 305 A CB 0.931 19.925 19.000 -0.011 0.000 1.218 305 A HN 0.771 nan 8.150 nan 0.000 0.482 306 E N -0.053 120.133 120.200 -0.023 0.000 2.429 306 E HA 0.633 4.986 4.350 0.005 0.000 0.280 306 E C -0.736 175.844 176.600 -0.033 0.000 1.068 306 E CA -0.991 55.384 56.400 -0.041 0.000 0.837 306 E CB 1.397 31.037 29.700 -0.100 0.000 1.357 306 E HN 0.927 nan 8.360 nan 0.000 0.455 307 A N 0.489 123.255 122.820 -0.090 0.000 2.331 307 A HA 0.615 4.938 4.320 0.005 0.000 0.283 307 A C 0.912 178.323 177.584 -0.289 0.000 1.142 307 A CA 0.109 52.014 52.037 -0.220 0.000 0.812 307 A CB 0.701 19.440 19.000 -0.436 0.000 1.074 307 A HN 0.805 nan 8.150 nan 0.000 0.497 308 A N 1.821 124.515 122.820 -0.211 0.000 2.014 308 A HA 0.125 4.448 4.320 0.005 0.000 0.218 308 A C 1.084 178.599 177.584 -0.114 0.000 1.163 308 A CA 1.697 53.663 52.037 -0.119 0.000 0.652 308 A CB -0.926 18.051 19.000 -0.038 0.000 0.808 308 A HN 1.106 nan 8.150 nan 0.000 0.449 309 H N -2.388 116.665 119.070 -0.029 0.000 2.509 309 H HA 0.659 5.218 4.556 0.005 0.000 0.360 309 H C 0.885 176.186 175.328 -0.046 0.000 1.398 309 H CA -0.557 55.467 56.048 -0.041 0.000 1.429 309 H CB -0.154 29.579 29.762 -0.047 0.000 1.611 309 H HN 0.122 nan 8.280 nan 0.000 0.606 310 G N -1.546 107.389 108.800 0.225 0.000 2.574 310 G HA2 0.257 4.219 3.960 0.005 0.000 0.248 310 G HA3 0.257 4.219 3.960 0.005 0.000 0.248 310 G C 0.722 175.709 174.900 0.146 0.000 1.422 310 G CA -0.215 44.947 45.100 0.104 0.000 1.051 310 G HN 0.917 nan 8.290 nan 0.000 0.560 311 T N -2.798 111.776 114.554 0.034 0.000 3.113 311 T HA 0.121 4.474 4.350 0.005 0.000 0.256 311 T C 0.818 175.510 174.700 -0.014 0.000 1.131 311 T CA 0.636 62.730 62.100 -0.010 0.000 1.074 311 T CB -0.206 68.618 68.868 -0.074 0.000 0.944 311 T HN 1.306 nan 8.240 nan 0.000 0.516 312 V N 1.801 121.705 119.914 -0.017 0.000 6.110 312 V HA -0.263 3.860 4.120 0.005 0.000 0.322 312 V C 1.929 178.050 176.094 0.044 0.000 0.518 312 V CA 0.921 63.176 62.300 -0.075 0.000 0.655 312 V CB -3.619 28.082 31.823 -0.203 0.000 0.283 312 V HN 0.831 nan 8.190 nan 0.000 0.990 313 T N -0.486 114.114 114.554 0.076 0.000 2.737 313 T HA -0.263 4.090 4.350 0.005 0.000 0.269 313 T C 1.715 176.553 174.700 0.230 0.000 1.040 313 T CA 2.252 64.455 62.100 0.171 0.000 1.142 313 T CB -0.093 68.862 68.868 0.144 0.000 0.861 313 T HN 0.693 nan 8.240 nan 0.000 0.456 314 R N -0.251 120.357 120.500 0.180 0.000 2.103 314 R HA -0.068 4.275 4.340 0.005 0.000 0.242 314 R C 2.663 179.136 176.300 0.287 0.000 1.142 314 R CA 2.248 58.474 56.100 0.209 0.000 0.960 314 R CB -0.491 29.926 30.300 0.195 0.000 0.858 314 R HN 0.693 nan 8.270 nan 0.000 0.439 315 H N -2.115 117.018 119.070 0.106 0.000 2.363 315 H HA -0.147 4.412 4.556 0.005 0.000 0.301 315 H C 1.743 177.187 175.328 0.193 0.000 1.074 315 H CA 1.239 57.357 56.048 0.116 0.000 1.354 315 H CB -0.071 29.738 29.762 0.079 0.000 1.397 315 H HN 0.229 nan 8.280 nan 0.000 0.516 316 Y N 2.293 122.726 120.300 0.222 0.000 2.193 316 Y HA -0.242 4.311 4.550 0.005 0.000 0.285 316 Y C 2.286 178.326 175.900 0.233 0.000 1.166 316 Y CA 1.148 59.369 58.100 0.201 0.000 1.181 316 Y CB -0.063 38.481 38.460 0.141 0.000 0.976 316 Y HN -0.050 nan 8.280 nan 0.000 0.520 317 R N -0.214 120.392 120.500 0.177 0.000 2.096 317 R HA -0.169 4.174 4.340 0.005 0.000 0.235 317 R C 2.274 178.584 176.300 0.016 0.000 1.127 317 R CA 1.771 57.906 56.100 0.058 0.000 0.968 317 R CB -0.940 29.418 30.300 0.096 0.000 0.861 317 R HN 0.479 nan 8.270 nan 0.000 0.440 318 M N -1.145 118.493 119.600 0.064 0.000 2.175 318 M HA -0.150 4.333 4.480 0.005 0.000 0.264 318 M C 1.962 178.288 176.300 0.045 0.000 1.063 318 M CA 1.350 56.675 55.300 0.042 0.000 1.119 318 M CB -0.357 32.270 32.600 0.044 0.000 1.377 318 M HN 0.032 nan 8.290 nan 0.000 0.415 319 Y N 1.028 121.299 120.300 -0.049 0.000 2.181 319 Y HA -0.264 4.289 4.550 0.005 0.000 0.288 319 Y C 2.263 178.085 175.900 -0.130 0.000 1.146 319 Y CA 1.823 59.893 58.100 -0.049 0.000 1.164 319 Y CB -0.166 38.289 38.460 -0.008 0.000 0.982 319 Y HN 0.237 nan 8.280 nan 0.000 0.515 320 Q N 0.046 119.730 119.800 -0.192 0.000 2.119 320 Q HA -0.156 4.187 4.340 0.005 0.000 0.201 320 Q C 1.632 177.532 176.000 -0.166 0.000 0.972 320 Q CA 1.463 57.128 55.803 -0.231 0.000 0.847 320 Q CB -0.063 28.537 28.738 -0.231 0.000 0.903 320 Q HN 0.439 nan 8.270 nan 0.000 0.433 321 K N -0.659 119.671 120.400 -0.117 0.000 2.525 321 K HA 0.072 4.395 4.320 0.005 0.000 0.192 321 K C 0.953 177.494 176.600 -0.099 0.000 1.029 321 K CA 0.754 56.991 56.287 -0.084 0.000 1.029 321 K CB 0.568 33.039 32.500 -0.048 0.000 0.814 321 K HN 0.370 nan 8.250 nan 0.000 0.503 322 G N 1.726 110.432 108.800 -0.157 0.000 2.176 322 G HA2 -0.304 3.659 3.960 0.005 0.000 0.253 322 G HA3 -0.304 3.659 3.960 0.005 0.000 0.253 322 G C -0.014 174.822 174.900 -0.108 0.000 0.979 322 G CA 0.062 45.061 45.100 -0.168 0.000 0.641 322 G HN 0.431 nan 8.290 nan 0.000 0.530 323 Q N 0.336 120.100 119.800 -0.060 0.000 2.382 323 Q HA 0.498 4.841 4.340 0.005 0.000 0.229 323 Q C 0.404 176.425 176.000 0.035 0.000 1.006 323 Q CA -0.190 55.606 55.803 -0.011 0.000 0.916 323 Q CB 0.973 29.710 28.738 -0.001 0.000 1.235 323 Q HN 0.542 nan 8.270 nan 0.000 0.512 324 E N 0.835 121.069 120.200 0.057 0.000 2.354 324 E HA 0.136 4.489 4.350 0.005 0.000 0.269 324 E C -0.928 175.752 176.600 0.134 0.000 1.036 324 E CA -0.160 56.308 56.400 0.113 0.000 0.876 324 E CB 0.754 30.518 29.700 0.106 0.000 1.009 324 E HN 0.630 nan 8.360 nan 0.000 0.416 325 T N 0.244 114.920 114.554 0.202 0.000 2.901 325 T HA 0.483 4.836 4.350 0.005 0.000 0.293 325 T C -0.584 174.224 174.700 0.180 0.000 1.084 325 T CA -0.972 61.220 62.100 0.153 0.000 1.008 325 T CB 1.720 70.710 68.868 0.203 0.000 1.170 325 T HN 0.213 nan 8.240 nan 0.000 0.509 326 S N 0.971 116.728 115.700 0.095 0.000 2.496 326 S HA 0.533 5.006 4.470 0.005 0.000 0.221 326 S C -0.918 173.736 174.600 0.090 0.000 1.260 326 S CA -0.542 57.715 58.200 0.096 0.000 1.181 326 S CB 0.086 63.300 63.200 0.023 0.000 1.136 326 S HN 0.882 nan 8.310 nan 0.000 0.467 327 T N 3.800 118.425 114.554 0.118 0.000 2.794 327 T HA 0.374 4.727 4.350 0.005 0.000 0.280 327 T C -0.079 174.604 174.700 -0.029 0.000 0.987 327 T CA -0.715 61.435 62.100 0.083 0.000 0.993 327 T CB 0.956 69.877 68.868 0.087 0.000 0.939 327 T HN 0.511 nan 8.240 nan 0.000 0.449 328 N N 4.071 122.712 118.700 -0.099 0.000 2.420 328 N HA 0.148 4.891 4.740 0.005 0.000 0.262 328 N C -1.684 173.821 175.510 -0.008 0.000 1.144 328 N CA -1.833 51.143 53.050 -0.123 0.000 0.952 328 N CB 1.183 39.580 38.487 -0.150 0.000 1.081 328 N HN 0.309 nan 8.380 nan 0.000 0.480 329 P HA 0.121 nan 4.420 nan 0.000 0.267 329 P C 1.342 178.772 177.300 0.217 0.000 1.289 329 P CA -0.150 63.057 63.100 0.179 0.000 0.866 329 P CB 0.627 32.449 31.700 0.203 0.000 1.309 330 I N 1.148 121.821 120.570 0.172 0.000 2.208 330 I HA -0.204 3.969 4.170 0.005 0.000 0.245 330 I C 2.401 178.584 176.117 0.109 0.000 1.097 330 I CA 1.414 62.801 61.300 0.144 0.000 1.363 330 I CB -1.749 36.255 38.000 0.006 0.000 1.051 330 I HN -0.034 nan 8.210 nan 0.000 0.413 331 A N 0.051 122.930 122.820 0.098 0.000 1.902 331 A HA -0.170 4.153 4.320 0.005 0.000 0.217 331 A C 2.563 180.281 177.584 0.224 0.000 1.181 331 A CA 2.035 54.139 52.037 0.111 0.000 0.623 331 A CB -0.789 18.298 19.000 0.146 0.000 0.818 331 A HN 0.426 nan 8.150 nan 0.000 0.443 332 S N -0.205 115.666 115.700 0.285 0.000 2.382 332 S HA -0.114 4.359 4.470 0.005 0.000 0.228 332 S C 1.756 176.606 174.600 0.417 0.000 1.027 332 S CA 1.490 59.916 58.200 0.376 0.000 0.991 332 S CB -0.469 62.982 63.200 0.418 0.000 0.823 332 S HN 0.540 nan 8.310 nan 0.000 0.469 333 I N 0.182 120.968 120.570 0.360 0.000 2.315 333 I HA -0.132 4.041 4.170 0.005 0.000 0.248 333 I C 1.688 178.041 176.117 0.393 0.000 1.117 333 I CA 1.078 62.578 61.300 0.333 0.000 1.404 333 I CB -0.239 37.923 38.000 0.270 0.000 1.071 333 I HN 0.194 nan 8.210 nan 0.000 0.419 334 F N 0.844 120.874 119.950 0.133 0.000 2.325 334 F HA -0.058 4.472 4.527 0.005 0.000 0.299 334 F C 2.513 178.373 175.800 0.099 0.000 1.090 334 F CA 0.711 58.769 58.000 0.096 0.000 1.392 334 F CB -1.003 38.034 39.000 0.061 0.000 1.053 334 F HN -0.009 nan 8.300 nan 0.000 0.521 335 A N -0.578 122.415 122.820 0.288 0.000 1.917 335 A HA -0.239 4.084 4.320 0.005 0.000 0.219 335 A C 2.030 179.632 177.584 0.031 0.000 1.182 335 A CA 1.866 53.985 52.037 0.136 0.000 0.633 335 A CB -1.371 17.729 19.000 0.167 0.000 0.819 335 A HN 0.519 nan 8.150 nan 0.000 0.448 336 W N 0.227 121.550 121.300 0.039 0.000 2.409 336 W HA -0.074 4.590 4.660 0.005 0.000 0.299 336 W C 2.920 179.428 176.519 -0.019 0.000 1.203 336 W CA 1.976 59.308 57.345 -0.023 0.000 1.298 336 W CB -0.703 28.684 29.460 -0.123 0.000 1.127 336 W HN 0.479 nan 8.180 nan 0.000 0.528 337 T N -1.672 112.954 114.554 0.120 0.000 2.857 337 T HA -0.073 4.279 4.350 0.005 0.000 0.266 337 T C 1.883 176.567 174.700 -0.026 0.000 1.048 337 T CA 0.745 62.818 62.100 -0.045 0.000 1.139 337 T CB -0.230 68.427 68.868 -0.352 0.000 0.874 337 T HN -0.086 nan 8.240 nan 0.000 0.455 338 R N 1.292 121.789 120.500 -0.004 0.000 2.075 338 R HA 0.140 4.483 4.340 0.005 0.000 0.232 338 R C 2.903 179.244 176.300 0.069 0.000 1.126 338 R CA 1.431 57.549 56.100 0.030 0.000 0.963 338 R CB -1.459 28.875 30.300 0.057 0.000 0.858 338 R HN 0.593 nan 8.270 nan 0.000 0.435 339 G N 1.080 109.920 108.800 0.066 0.000 2.404 339 G HA2 -0.182 3.781 3.960 0.005 0.000 0.215 339 G HA3 -0.182 3.781 3.960 0.005 0.000 0.215 339 G C 1.633 176.616 174.900 0.139 0.000 1.174 339 G CA 0.268 45.417 45.100 0.081 0.000 0.780 339 G HN 0.167 nan 8.290 nan 0.000 0.537 340 L N 0.684 121.997 121.223 0.150 0.000 2.056 340 L HA -0.018 4.325 4.340 0.005 0.000 0.207 340 L C 3.441 180.391 176.870 0.133 0.000 1.078 340 L CA 0.881 55.822 54.840 0.168 0.000 0.749 340 L CB -0.487 41.712 42.059 0.235 0.000 0.901 340 L HN 0.299 nan 8.230 nan 0.000 0.433 341 A N -0.223 122.661 122.820 0.107 0.000 1.927 341 A HA -0.345 3.978 4.320 0.005 0.000 0.220 341 A C 2.132 179.781 177.584 0.108 0.000 1.185 341 A CA 2.403 54.489 52.037 0.082 0.000 0.639 341 A CB -0.912 18.116 19.000 0.047 0.000 0.820 341 A HN 0.538 nan 8.150 nan 0.000 0.451 342 H N -0.843 118.249 119.070 0.037 0.000 2.363 342 H HA -0.063 4.496 4.556 0.005 0.000 0.301 342 H C 2.203 177.558 175.328 0.045 0.000 1.074 342 H CA 1.873 57.942 56.048 0.036 0.000 1.354 342 H CB -0.086 29.697 29.762 0.034 0.000 1.397 342 H HN 0.329 nan 8.280 nan 0.000 0.516 343 R N 1.118 121.644 120.500 0.043 0.000 2.096 343 R HA -0.091 4.252 4.340 0.005 0.000 0.240 343 R C 2.313 178.596 176.300 -0.029 0.000 1.139 343 R CA 1.883 57.982 56.100 -0.000 0.000 0.952 343 R CB -1.328 29.019 30.300 0.078 0.000 0.854 343 R HN 0.436 nan 8.270 nan 0.000 0.436 344 A N 0.821 123.648 122.820 0.011 0.000 1.902 344 A HA -0.166 4.156 4.320 0.005 0.000 0.217 344 A C 2.199 179.773 177.584 -0.017 0.000 1.181 344 A CA 1.801 53.848 52.037 0.017 0.000 0.623 344 A CB -0.604 18.428 19.000 0.052 0.000 0.818 344 A HN 0.445 nan 8.150 nan 0.000 0.443 345 K N -0.197 120.176 120.400 -0.045 0.000 2.097 345 K HA -0.044 4.279 4.320 0.005 0.000 0.205 345 K C 1.911 178.446 176.600 -0.109 0.000 1.050 345 K CA 1.091 57.342 56.287 -0.061 0.000 0.938 345 K CB -0.294 32.180 32.500 -0.045 0.000 0.718 345 K HN 0.488 nan 8.250 nan 0.000 0.442 346 L N 1.077 122.180 121.223 -0.201 0.000 1.989 346 L HA -0.211 4.132 4.340 0.005 0.000 0.211 346 L C 1.477 178.303 176.870 -0.072 0.000 1.071 346 L CA 1.553 56.292 54.840 -0.169 0.000 0.749 346 L CB -0.413 41.517 42.059 -0.215 0.000 0.890 346 L HN 0.210 nan 8.230 nan 0.000 0.431 347 D N -0.726 119.645 120.400 -0.048 0.000 2.340 347 D HA -0.068 4.575 4.640 0.005 0.000 0.220 347 D C 0.649 176.944 176.300 -0.009 0.000 1.039 347 D CA 0.148 54.138 54.000 -0.016 0.000 0.866 347 D CB -0.384 40.416 40.800 -0.000 0.000 0.913 347 D HN 0.282 nan 8.370 nan 0.000 0.523 348 N N 1.400 120.091 118.700 -0.014 0.000 2.716 348 N HA -0.227 4.516 4.740 0.005 0.000 0.250 348 N C -0.542 174.973 175.510 0.009 0.000 1.033 348 N CA -0.011 53.038 53.050 -0.002 0.000 0.727 348 N CB -0.973 37.513 38.487 -0.002 0.000 0.950 348 N HN 0.072 nan 8.380 nan 0.000 0.541 349 N N 1.557 120.266 118.700 0.014 0.000 2.448 349 N HA 0.055 4.798 4.740 0.005 0.000 0.250 349 N C 0.966 176.502 175.510 0.044 0.000 1.136 349 N CA 0.144 53.209 53.050 0.026 0.000 0.953 349 N CB 0.848 39.353 38.487 0.030 0.000 1.251 349 N HN 0.365 nan 8.380 nan 0.000 0.502 350 K N 2.532 122.957 120.400 0.041 0.000 2.152 350 K HA -0.150 4.173 4.320 0.005 0.000 0.206 350 K C 0.777 177.435 176.600 0.098 0.000 1.048 350 K CA 1.524 57.845 56.287 0.057 0.000 0.933 350 K CB 0.370 32.890 32.500 0.034 0.000 0.721 350 K HN 0.534 nan 8.250 nan 0.000 0.447 351 E N -0.017 120.235 120.200 0.087 0.000 2.190 351 E HA -0.097 4.256 4.350 0.005 0.000 0.191 351 E C 1.708 178.428 176.600 0.200 0.000 0.978 351 E CA 0.238 56.713 56.400 0.126 0.000 0.839 351 E CB 0.062 29.795 29.700 0.055 0.000 0.787 351 E HN 0.091 nan 8.360 nan 0.000 0.473 352 L N 1.086 122.393 121.223 0.139 0.000 2.017 352 L HA -0.138 4.204 4.340 0.005 0.000 0.208 352 L C 2.178 179.166 176.870 0.197 0.000 1.073 352 L CA 1.934 56.868 54.840 0.158 0.000 0.745 352 L CB -0.638 41.481 42.059 0.100 0.000 0.894 352 L HN 0.104 nan 8.230 nan 0.000 0.432 353 A N -0.974 121.932 122.820 0.144 0.000 1.892 353 A HA -0.314 4.009 4.320 0.005 0.000 0.218 353 A C 2.305 179.952 177.584 0.105 0.000 1.188 353 A CA 2.104 54.204 52.037 0.105 0.000 0.631 353 A CB -1.266 17.783 19.000 0.082 0.000 0.822 353 A HN 0.538 nan 8.150 nan 0.000 0.447 354 F N -0.704 119.277 119.950 0.053 0.000 2.069 354 F HA -0.185 4.345 4.527 0.005 0.000 0.298 354 F C 1.979 177.806 175.800 0.045 0.000 1.113 354 F CA 2.182 60.204 58.000 0.037 0.000 1.214 354 F CB -0.465 38.559 39.000 0.041 0.000 0.978 354 F HN 0.300 nan 8.300 nan 0.000 0.474 355 F N 0.855 120.885 119.950 0.133 0.000 2.095 355 F HA -0.168 4.362 4.527 0.005 0.000 0.298 355 F C 2.311 178.033 175.800 -0.131 0.000 1.104 355 F CA 1.627 59.630 58.000 0.004 0.000 1.232 355 F CB -1.018 38.014 39.000 0.053 0.000 0.987 355 F HN 0.031 nan 8.300 nan 0.000 0.475 356 A N 0.338 123.163 122.820 0.007 0.000 1.873 356 A HA -0.339 3.984 4.320 0.005 0.000 0.218 356 A C 2.033 179.424 177.584 -0.322 0.000 1.193 356 A CA 2.265 54.221 52.037 -0.134 0.000 0.629 356 A CB -1.434 17.559 19.000 -0.012 0.000 0.826 356 A HN 0.613 nan 8.150 nan 0.000 0.447 357 N N -0.439 118.079 118.700 -0.304 0.000 2.244 357 N HA 0.010 4.753 4.740 0.005 0.000 0.183 357 N C 1.674 176.929 175.510 -0.426 0.000 1.016 357 N CA 1.526 54.374 53.050 -0.337 0.000 0.866 357 N CB -0.270 38.042 38.487 -0.293 0.000 0.980 357 N HN 0.377 nan 8.380 nan 0.000 0.430 358 A N 0.481 122.962 122.820 -0.564 0.000 1.873 358 A HA -0.072 4.251 4.320 0.005 0.000 0.215 358 A C 2.039 179.338 177.584 -0.475 0.000 1.186 358 A CA 1.116 52.828 52.037 -0.543 0.000 0.616 358 A CB -0.964 17.691 19.000 -0.576 0.000 0.823 358 A HN 0.389 nan 8.150 nan 0.000 0.442 359 L N 0.349 121.194 121.223 -0.630 0.000 2.131 359 L HA -0.151 4.192 4.340 0.005 0.000 0.210 359 L C 2.077 178.731 176.870 -0.361 0.000 1.092 359 L CA 2.218 56.726 54.840 -0.554 0.000 0.759 359 L CB -0.865 40.768 42.059 -0.710 0.000 0.903 359 L HN 0.541 nan 8.230 nan 0.000 0.435 360 E N -0.307 119.651 120.200 -0.404 0.000 2.028 360 E HA -0.230 4.123 4.350 0.005 0.000 0.191 360 E C 1.900 178.458 176.600 -0.070 0.000 0.988 360 E CA 1.410 57.616 56.400 -0.323 0.000 0.799 360 E CB -0.161 29.238 29.700 -0.503 0.000 0.755 360 E HN 0.733 nan 8.360 nan 0.000 0.447 361 E N 0.951 121.074 120.200 -0.129 0.000 2.153 361 E HA -0.145 4.208 4.350 0.005 0.000 0.194 361 E C 2.193 178.759 176.600 -0.056 0.000 0.988 361 E CA 1.026 57.385 56.400 -0.068 0.000 0.811 361 E CB -0.276 29.365 29.700 -0.098 0.000 0.746 361 E HN 0.028 nan 8.360 nan 0.000 0.466 362 V N 1.520 121.366 119.914 -0.114 0.000 2.343 362 V HA -0.265 3.858 4.120 0.005 0.000 0.247 362 V C 2.403 178.475 176.094 -0.037 0.000 1.051 362 V CA 2.076 64.315 62.300 -0.101 0.000 1.036 362 V CB -0.371 31.346 31.823 -0.175 0.000 0.654 362 V HN 0.297 nan 8.190 nan 0.000 0.451 363 S N -0.333 115.375 115.700 0.014 0.000 2.355 363 S HA -0.079 4.394 4.470 0.005 0.000 0.222 363 S C 1.846 176.539 174.600 0.155 0.000 1.031 363 S CA 1.581 59.854 58.200 0.122 0.000 0.993 363 S CB -0.255 63.112 63.200 0.279 0.000 0.859 363 S HN 0.502 nan 8.310 nan 0.000 0.453 364 I N 1.347 122.000 120.570 0.140 0.000 2.202 364 I HA -0.156 4.017 4.170 0.005 0.000 0.242 364 I C 2.481 178.659 176.117 0.102 0.000 1.091 364 I CA 1.162 62.533 61.300 0.118 0.000 1.368 364 I CB -0.356 37.706 38.000 0.103 0.000 1.058 364 I HN 0.291 nan 8.210 nan 0.000 0.410 365 E N 0.285 120.529 120.200 0.074 0.000 2.118 365 E HA -0.201 4.152 4.350 0.005 0.000 0.195 365 E C 2.110 178.779 176.600 0.115 0.000 0.992 365 E CA 1.896 58.339 56.400 0.071 0.000 0.804 365 E CB -0.091 29.629 29.700 0.033 0.000 0.741 365 E HN 0.465 nan 8.360 nan 0.000 0.458 366 T N 1.021 115.646 114.554 0.117 0.000 2.674 366 T HA -0.139 4.214 4.350 0.005 0.000 0.265 366 T C 1.954 176.852 174.700 0.330 0.000 1.039 366 T CA 1.034 63.245 62.100 0.185 0.000 1.150 366 T CB -0.203 68.703 68.868 0.065 0.000 0.864 366 T HN 0.095 nan 8.240 nan 0.000 0.427 367 I N 0.896 121.638 120.570 0.287 0.000 2.286 367 I HA -0.134 4.039 4.170 0.005 0.000 0.248 367 I C 2.560 178.775 176.117 0.163 0.000 1.115 367 I CA 1.333 62.781 61.300 0.246 0.000 1.392 367 I CB -0.319 37.789 38.000 0.180 0.000 1.065 367 I HN 0.292 nan 8.210 nan 0.000 0.418 368 E N 0.538 120.820 120.200 0.137 0.000 2.274 368 E HA -0.128 4.225 4.350 0.005 0.000 0.194 368 E C 2.194 178.850 176.600 0.094 0.000 0.996 368 E CA 0.882 57.339 56.400 0.096 0.000 0.840 368 E CB -0.057 29.690 29.700 0.079 0.000 0.772 368 E HN 0.519 nan 8.360 nan 0.000 0.491 369 A N 0.050 122.961 122.820 0.151 0.000 2.119 369 A HA 0.164 4.487 4.320 0.005 0.000 0.216 369 A C 1.770 179.347 177.584 -0.011 0.000 1.152 369 A CA 1.113 53.240 52.037 0.149 0.000 0.708 369 A CB 0.038 19.237 19.000 0.332 0.000 0.805 369 A HN 0.344 nan 8.150 nan 0.000 0.460 370 G N -2.500 106.292 108.800 -0.014 0.000 2.183 370 G HA2 -0.110 3.853 3.960 0.005 0.000 0.168 370 G HA3 -0.110 3.853 3.960 0.005 0.000 0.168 370 G C -0.173 174.566 174.900 -0.267 0.000 1.008 370 G CA -0.246 44.747 45.100 -0.179 0.000 0.677 370 G HN 0.310 nan 8.290 nan 0.000 0.498 371 F N 1.811 121.838 119.950 0.129 0.000 2.405 371 F HA 0.823 5.353 4.527 0.005 0.000 0.355 371 F C 0.756 176.727 175.800 0.285 0.000 1.121 371 F CA -0.528 57.589 58.000 0.195 0.000 1.112 371 F CB 1.247 40.363 39.000 0.195 0.000 1.126 371 F HN 0.291 nan 8.300 nan 0.000 0.481 372 M N 0.420 120.222 119.600 0.337 0.000 2.682 372 M HA 0.609 5.092 4.480 0.005 0.000 0.272 372 M C -0.912 175.356 176.300 -0.053 0.000 1.232 372 M CA -0.922 54.415 55.300 0.063 0.000 0.849 372 M CB 2.167 34.790 32.600 0.038 0.000 1.695 372 M HN 0.413 nan 8.290 nan 0.000 0.481 373 T N -1.547 112.808 114.554 -0.332 0.000 2.788 373 T HA 0.324 4.677 4.350 0.005 0.000 0.280 373 T C 0.752 175.373 174.700 -0.132 0.000 0.984 373 T CA -0.336 61.643 62.100 -0.202 0.000 0.972 373 T CB 1.563 70.228 68.868 -0.339 0.000 1.039 373 T HN 0.952 nan 8.240 nan 0.000 0.530 374 K N 0.752 120.982 120.400 -0.283 0.000 2.032 374 K HA -0.208 4.114 4.320 0.005 0.000 0.209 374 K C 1.984 178.417 176.600 -0.278 0.000 1.048 374 K CA 2.106 58.042 56.287 -0.585 0.000 0.927 374 K CB -0.513 31.429 32.500 -0.930 0.000 0.712 374 K HN 0.792 nan 8.250 nan 0.000 0.441 375 D N 0.890 121.177 120.400 -0.189 0.000 2.158 375 D HA -0.253 4.390 4.640 0.005 0.000 0.197 375 D C 2.009 178.255 176.300 -0.091 0.000 0.995 375 D CA 1.365 55.295 54.000 -0.117 0.000 0.846 375 D CB -0.470 40.275 40.800 -0.091 0.000 0.941 375 D HN 0.359 nan 8.370 nan 0.000 0.456 376 L N 0.448 121.615 121.223 -0.094 0.000 2.131 376 L HA 0.006 4.349 4.340 0.005 0.000 0.206 376 L C 2.937 179.790 176.870 -0.028 0.000 1.087 376 L CA 0.887 55.694 54.840 -0.056 0.000 0.767 376 L CB -0.420 41.602 42.059 -0.061 0.000 0.917 376 L HN 0.053 nan 8.230 nan 0.000 0.441 377 A N 0.256 123.064 122.820 -0.021 0.000 1.933 377 A HA -0.165 4.158 4.320 0.005 0.000 0.218 377 A C 2.520 180.099 177.584 -0.008 0.000 1.175 377 A CA 1.633 53.678 52.037 0.012 0.000 0.628 377 A CB -0.583 18.463 19.000 0.077 0.000 0.814 377 A HN 0.392 nan 8.150 nan 0.000 0.444 378 A N -0.975 121.821 122.820 -0.040 0.000 1.933 378 A HA -0.175 4.148 4.320 0.005 0.000 0.218 378 A C 2.274 179.841 177.584 -0.029 0.000 1.175 378 A CA 1.637 53.650 52.037 -0.040 0.000 0.628 378 A CB -1.285 17.677 19.000 -0.064 0.000 0.814 378 A HN 0.598 nan 8.150 nan 0.000 0.444 379 C N -0.920 118.364 119.300 -0.027 0.000 2.413 379 C HA -0.114 4.349 4.460 0.005 0.000 0.276 379 C C 2.546 177.528 174.990 -0.014 0.000 1.236 379 C CA 1.180 60.187 59.018 -0.019 0.000 1.735 379 C CB -1.291 26.443 27.740 -0.011 0.000 2.031 379 C HN 0.644 nan 8.230 nan 0.000 0.474 380 I N -0.134 120.431 120.570 -0.007 0.000 2.406 380 I HA -0.106 4.067 4.170 0.005 0.000 0.249 380 I C 2.505 178.618 176.117 -0.005 0.000 1.122 380 I CA 1.367 62.665 61.300 -0.003 0.000 1.431 380 I CB -0.255 37.746 38.000 0.002 0.000 1.087 380 I HN 0.246 nan 8.210 nan 0.000 0.424 381 K N 0.469 120.867 120.400 -0.004 0.000 2.348 381 K HA 0.268 4.591 4.320 0.005 0.000 0.194 381 K C 0.502 177.097 176.600 -0.007 0.000 1.052 381 K CA 0.690 56.976 56.287 -0.002 0.000 1.004 381 K CB 0.701 33.206 32.500 0.009 0.000 0.873 381 K HN 0.323 nan 8.250 nan 0.000 0.523 382 G N 1.997 110.789 108.800 -0.014 0.000 2.999 382 G HA2 -0.222 3.740 3.960 0.005 0.000 0.686 382 G HA3 -0.222 3.740 3.960 0.005 0.000 0.686 382 G C 0.360 175.251 174.900 -0.016 0.000 1.057 382 G CA -0.198 44.892 45.100 -0.018 0.000 0.784 382 G HN 0.190 nan 8.290 nan 0.000 0.575 383 L N 2.921 124.131 121.223 -0.023 0.000 2.013 383 L HA -0.077 4.266 4.340 0.005 0.000 0.212 383 L C 0.776 177.638 176.870 -0.014 0.000 1.073 383 L CA 2.456 57.280 54.840 -0.027 0.000 0.753 383 L CB -0.522 41.517 42.059 -0.032 0.000 0.890 383 L HN 0.629 nan 8.230 nan 0.000 0.432 384 P HA -0.103 nan 4.420 nan 0.000 0.223 384 P C 0.446 177.749 177.300 0.005 0.000 1.151 384 P CA 1.177 64.275 63.100 -0.003 0.000 0.787 384 P CB -0.195 31.502 31.700 -0.006 0.000 0.788 385 N N -0.520 118.183 118.700 0.005 0.000 2.336 385 N HA 0.046 4.789 4.740 0.005 0.000 0.189 385 N C 0.196 175.721 175.510 0.025 0.000 1.113 385 N CA 0.041 53.098 53.050 0.011 0.000 0.858 385 N CB 0.577 39.067 38.487 0.005 0.000 0.970 385 N HN 0.063 nan 8.380 nan 0.000 0.471 386 V N 2.063 121.998 119.914 0.034 0.000 2.530 386 V HA 0.091 4.214 4.120 0.005 0.000 0.282 386 V C 0.168 176.327 176.094 0.107 0.000 1.048 386 V CA -0.046 62.297 62.300 0.072 0.000 0.997 386 V CB 1.249 33.108 31.823 0.060 0.000 0.987 386 V HN 0.151 nan 8.190 nan 0.000 0.477 387 Q N 3.413 123.284 119.800 0.117 0.000 2.297 387 Q HA 0.456 4.799 4.340 0.005 0.000 0.269 387 Q C 0.673 176.722 176.000 0.081 0.000 1.051 387 Q CA -1.021 54.837 55.803 0.092 0.000 0.869 387 Q CB 1.395 30.153 28.738 0.033 0.000 1.346 387 Q HN 0.441 nan 8.270 nan 0.000 0.457 388 R N 1.021 121.511 120.500 -0.017 0.000 2.105 388 R HA -0.138 4.205 4.340 0.005 0.000 0.239 388 R C 1.730 177.804 176.300 -0.376 0.000 1.135 388 R CA 2.393 58.333 56.100 -0.266 0.000 0.967 388 R CB -0.893 29.311 30.300 -0.160 0.000 0.861 388 R HN 0.771 nan 8.270 nan 0.000 0.442 389 S N -0.215 115.384 115.700 -0.167 0.000 2.500 389 S HA -0.078 4.395 4.470 0.005 0.000 0.239 389 S C 1.080 175.615 174.600 -0.108 0.000 0.989 389 S CA 1.169 59.295 58.200 -0.124 0.000 0.951 389 S CB -0.117 63.046 63.200 -0.062 0.000 0.759 389 S HN 0.274 nan 8.310 nan 0.000 0.523 390 D N 0.479 120.830 120.400 -0.082 0.000 2.333 390 D HA 0.186 4.829 4.640 0.005 0.000 0.208 390 D C 0.254 176.622 176.300 0.115 0.000 0.984 390 D CA 0.526 54.551 54.000 0.042 0.000 0.873 390 D CB 0.216 41.099 40.800 0.137 0.000 0.935 390 D HN 0.758 nan 8.370 nan 0.000 0.521 391 Y N -1.345 118.969 120.300 0.024 0.000 2.625 391 Y HA 0.535 5.088 4.550 0.005 0.000 0.338 391 Y C -1.161 174.792 175.900 0.089 0.000 1.123 391 Y CA -1.553 56.572 58.100 0.042 0.000 1.046 391 Y CB 0.608 39.075 38.460 0.011 0.000 1.299 391 Y HN -0.350 nan 8.280 nan 0.000 0.464 392 L N 2.082 123.469 121.223 0.273 0.000 2.352 392 L HA 0.596 4.939 4.340 0.005 0.000 0.269 392 L C -0.331 176.756 176.870 0.361 0.000 1.034 392 L CA -1.266 53.728 54.840 0.256 0.000 0.806 392 L CB 1.244 43.499 42.059 0.327 0.000 1.244 392 L HN 0.855 nan 8.230 nan 0.000 0.447 393 N N -0.790 118.091 118.700 0.301 0.000 2.379 393 N HA 0.120 4.863 4.740 0.005 0.000 0.260 393 N C 0.620 176.318 175.510 0.313 0.000 1.254 393 N CA -0.301 52.942 53.050 0.321 0.000 0.958 393 N CB 0.250 38.912 38.487 0.291 0.000 1.208 393 N HN 0.610 nan 8.380 nan 0.000 0.532 394 T N 0.018 114.739 114.554 0.279 0.000 2.635 394 T HA -0.135 4.218 4.350 0.005 0.000 0.267 394 T C 1.253 176.024 174.700 0.119 0.000 1.040 394 T CA 1.709 63.906 62.100 0.161 0.000 1.156 394 T CB -0.583 68.310 68.868 0.041 0.000 0.863 394 T HN 0.451 nan 8.240 nan 0.000 0.430 395 F N 1.547 121.607 119.950 0.184 0.000 2.113 395 F HA 0.005 4.535 4.527 0.005 0.000 0.297 395 F C 2.488 178.365 175.800 0.128 0.000 1.103 395 F CA 0.945 59.032 58.000 0.145 0.000 1.248 395 F CB -0.613 38.464 39.000 0.129 0.000 0.999 395 F HN 0.259 nan 8.300 nan 0.000 0.475 396 E N -0.246 120.154 120.200 0.332 0.000 2.058 396 E HA -0.281 4.072 4.350 0.005 0.000 0.194 396 E C 2.063 178.778 176.600 0.192 0.000 0.997 396 E CA 1.775 58.309 56.400 0.223 0.000 0.801 396 E CB -0.702 29.125 29.700 0.211 0.000 0.746 396 E HN 0.414 nan 8.360 nan 0.000 0.450 397 F N 1.321 121.338 119.950 0.112 0.000 2.134 397 F HA -0.184 4.346 4.527 0.005 0.000 0.299 397 F C 2.207 178.028 175.800 0.035 0.000 1.097 397 F CA 1.232 59.281 58.000 0.082 0.000 1.264 397 F CB -0.003 39.058 39.000 0.102 0.000 1.001 397 F HN -0.071 nan 8.300 nan 0.000 0.479 398 M N 0.311 119.918 119.600 0.011 0.000 2.086 398 M HA -0.207 4.275 4.480 0.005 0.000 0.261 398 M C 1.859 178.077 176.300 -0.137 0.000 1.067 398 M CA 1.554 56.791 55.300 -0.106 0.000 1.116 398 M CB -1.348 31.223 32.600 -0.048 0.000 1.348 398 M HN 0.117 nan 8.290 nan 0.000 0.407 399 D N 0.125 120.497 120.400 -0.047 0.000 2.123 399 D HA -0.183 4.460 4.640 0.005 0.000 0.196 399 D C 1.957 178.184 176.300 -0.122 0.000 0.992 399 D CA 1.330 55.304 54.000 -0.042 0.000 0.833 399 D CB -0.231 40.583 40.800 0.024 0.000 0.954 399 D HN 0.205 nan 8.370 nan 0.000 0.455 400 K N 0.788 121.075 120.400 -0.187 0.000 2.026 400 K HA -0.059 4.264 4.320 0.005 0.000 0.208 400 K C 2.191 178.586 176.600 -0.341 0.000 1.048 400 K CA 0.797 56.913 56.287 -0.285 0.000 0.929 400 K CB -0.544 31.757 32.500 -0.333 0.000 0.713 400 K HN 0.097 nan 8.250 nan 0.000 0.439 401 L N -0.154 120.804 121.223 -0.441 0.000 2.012 401 L HA -0.111 4.231 4.340 0.005 0.000 0.210 401 L C 2.464 179.200 176.870 -0.223 0.000 1.073 401 L CA 1.565 56.183 54.840 -0.370 0.000 0.748 401 L CB -1.051 40.746 42.059 -0.436 0.000 0.891 401 L HN 0.493 nan 8.230 nan 0.000 0.431 402 G N 0.544 109.241 108.800 -0.171 0.000 2.529 402 G HA2 -0.319 3.644 3.960 0.005 0.000 0.219 402 G HA3 -0.319 3.644 3.960 0.005 0.000 0.219 402 G C 1.360 176.233 174.900 -0.046 0.000 1.177 402 G CA 1.146 46.203 45.100 -0.071 0.000 0.773 402 G HN 0.637 nan 8.290 nan 0.000 0.573 403 E N 0.183 120.336 120.200 -0.079 0.000 2.208 403 E HA -0.076 4.277 4.350 0.005 0.000 0.193 403 E C 1.999 178.549 176.600 -0.083 0.000 0.988 403 E CA 0.918 57.281 56.400 -0.062 0.000 0.828 403 E CB -0.262 29.395 29.700 -0.072 0.000 0.763 403 E HN 0.275 nan 8.360 nan 0.000 0.478 404 N N 0.856 119.475 118.700 -0.135 0.000 2.216 404 N HA -0.078 4.665 4.740 0.005 0.000 0.183 404 N C 1.722 177.160 175.510 -0.119 0.000 1.017 404 N CA 0.523 53.493 53.050 -0.133 0.000 0.861 404 N CB -0.227 38.160 38.487 -0.167 0.000 0.986 404 N HN 0.155 nan 8.380 nan 0.000 0.428 405 L N 2.000 123.138 121.223 -0.141 0.000 2.017 405 L HA -0.123 4.220 4.340 0.005 0.000 0.208 405 L C 2.230 179.015 176.870 -0.141 0.000 1.073 405 L CA 1.723 56.444 54.840 -0.199 0.000 0.745 405 L CB -0.741 41.160 42.059 -0.264 0.000 0.894 405 L HN 0.101 nan 8.230 nan 0.000 0.432 406 K N -0.394 119.999 120.400 -0.011 0.000 1.988 406 K HA -0.278 4.045 4.320 0.005 0.000 0.221 406 K C 2.053 178.676 176.600 0.037 0.000 1.053 406 K CA 2.623 58.966 56.287 0.094 0.000 0.959 406 K CB -0.474 32.088 32.500 0.104 0.000 0.728 406 K HN 0.212 nan 8.250 nan 0.000 0.447 407 I N 1.871 122.443 120.570 0.003 0.000 2.145 407 I HA -0.314 3.859 4.170 0.005 0.000 0.244 407 I C 2.551 178.669 176.117 0.003 0.000 1.075 407 I CA 2.025 63.326 61.300 0.001 0.000 1.332 407 I CB -0.584 37.406 38.000 -0.017 0.000 1.033 407 I HN 0.398 nan 8.210 nan 0.000 0.410 408 K N 0.571 120.958 120.400 -0.022 0.000 2.062 408 K HA -0.089 4.234 4.320 0.005 0.000 0.205 408 K C 2.116 178.738 176.600 0.038 0.000 1.051 408 K CA 1.186 57.468 56.287 -0.009 0.000 0.941 408 K CB -0.249 32.219 32.500 -0.054 0.000 0.719 408 K HN 0.263 nan 8.250 nan 0.000 0.440 409 L N 1.361 122.593 121.223 0.016 0.000 2.056 409 L HA -0.037 4.306 4.340 0.005 0.000 0.207 409 L C 1.694 178.616 176.870 0.088 0.000 1.078 409 L CA 0.529 55.418 54.840 0.082 0.000 0.749 409 L CB -0.625 41.440 42.059 0.010 0.000 0.901 409 L HN 0.295 nan 8.230 nan 0.000 0.433 410 A N 0.000 122.864 122.820 0.074 0.000 2.254 410 A HA 0.000 4.323 4.320 0.005 0.000 0.244 410 A CA 0.000 52.074 52.037 0.061 0.000 0.836 410 A CB 0.000 19.036 19.000 0.060 0.000 0.831 410 A HN 0.000 nan 8.150 nan 0.000 0.486