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 2zyd_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKQQIGVVGM AVMGRNLALN IESRGYTVSI FNRSREKTEE VIAENPGKKL DATA SEQUENCE VPYYTVKEFV ESLETPRRIL LMVKAGAGTD AAIDSLKPYL DKGDIIIDGG DATA SEQUENCE NTFFQDTIRR NRELSAEGFN FIGTGVSGGE EGALKGPSIM PGGQKEAYEL DATA SEQUENCE VAPILTKIAA VAEDGEPCVT YIGADGAGHY VKMVHNGIEY GDMQLIAEAY DATA SEQUENCE SLLKGGLNLT NEELAQTFTE WNNGELSSYL IDITKDIFTK KDEDGNYLVD DATA SEQUENCE VILDEAANKG TGKWTSQSAL DLGEPLSLIT ESVFARYISS LKDQRVAASK DATA SEQUENCE VLSGPQAQPA GDKAEFIEKV RRALYLGKIV SYAQGFSQLR AASEEYNWDL DATA SEQUENCE NYGEIAKIFR AGCIIRAQFL QKITDACAEN PQIANLLLAP YFKQIADDYQ DATA SEQUENCE QALRDVVAYA VQNGIPVPTF SAAVAYYDSY RAAVLPANLI QAQRDYFGAH DATA SEQUENCE TYKRIDKEGV FHTEWL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.026 0.000 1.055 2 S CA 0.000 58.215 58.200 0.025 0.000 1.107 2 S CB 0.000 63.218 63.200 0.031 0.000 0.593 3 K N 1.026 121.431 120.400 0.009 0.000 2.281 3 K HA 0.661 4.979 4.320 -0.002 0.000 0.242 3 K C -0.890 175.707 176.600 -0.004 0.000 0.971 3 K CA -0.937 55.342 56.287 -0.013 0.000 0.834 3 K CB 1.330 33.805 32.500 -0.042 0.000 1.181 3 K HN 0.417 nan 8.250 nan 0.000 0.435 4 Q N 0.790 120.575 119.800 -0.024 0.000 2.193 4 Q HA 0.182 4.521 4.340 -0.002 0.000 0.246 4 Q C 0.730 176.714 176.000 -0.027 0.000 0.959 4 Q CA -0.061 55.742 55.803 -0.001 0.000 0.904 4 Q CB 1.233 29.983 28.738 0.020 0.000 1.238 4 Q HN 0.449 nan 8.270 nan 0.000 0.469 5 Q N -0.017 119.794 119.800 0.017 0.000 2.187 5 Q HA 0.202 4.541 4.340 -0.002 0.000 0.199 5 Q C 0.032 176.002 176.000 -0.049 0.000 0.957 5 Q CA 0.646 56.461 55.803 0.019 0.000 0.857 5 Q CB 0.504 29.327 28.738 0.142 0.000 0.929 5 Q HN 0.552 nan 8.270 nan 0.000 0.453 6 I N -1.288 119.240 120.570 -0.070 0.000 2.913 6 I HA 0.573 4.741 4.170 -0.002 0.000 0.302 6 I C -1.495 174.575 176.117 -0.078 0.000 1.246 6 I CA -0.934 60.301 61.300 -0.109 0.000 1.010 6 I CB 2.276 40.169 38.000 -0.179 0.000 1.259 6 I HN -0.043 nan 8.210 nan 0.000 0.434 7 G N 5.005 113.770 108.800 -0.059 0.000 2.524 7 G HA2 0.658 4.617 3.960 -0.002 0.000 0.310 7 G HA3 0.658 4.617 3.960 -0.002 0.000 0.310 7 G C -1.864 173.224 174.900 0.313 0.000 1.279 7 G CA -0.549 44.604 45.100 0.088 0.000 0.974 7 G HN 0.465 nan 8.290 nan 0.000 0.484 8 V N 1.369 121.515 119.914 0.387 0.000 2.487 8 V HA 0.482 4.601 4.120 -0.002 0.000 0.298 8 V C -0.311 175.855 176.094 0.120 0.000 1.028 8 V CA -0.745 61.683 62.300 0.214 0.000 0.860 8 V CB 1.710 33.601 31.823 0.113 0.000 0.991 8 V HN 0.550 nan 8.190 nan 0.000 0.427 9 V N 3.436 123.364 119.914 0.024 0.000 2.370 9 V HA 0.907 5.026 4.120 -0.002 0.000 0.283 9 V C 0.515 176.593 176.094 -0.027 0.000 1.023 9 V CA 0.273 62.517 62.300 -0.093 0.000 0.857 9 V CB 1.089 32.853 31.823 -0.099 0.000 0.985 9 V HN 1.297 nan 8.190 nan 0.000 0.443 10 G N 5.778 114.542 108.800 -0.059 0.000 3.199 10 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.680 10 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.680 10 G C -0.473 174.399 174.900 -0.047 0.000 1.197 10 G CA -0.737 44.335 45.100 -0.046 0.000 1.143 10 G HN 0.404 nan 8.290 nan 0.000 0.492 11 M N 1.429 120.984 119.600 -0.075 0.000 2.560 11 M HA 0.367 4.845 4.480 -0.002 0.000 0.297 11 M C 1.443 177.719 176.300 -0.041 0.000 1.201 11 M CA 0.100 55.364 55.300 -0.059 0.000 0.973 11 M CB -0.043 32.502 32.600 -0.090 0.000 1.401 11 M HN 0.969 nan 8.290 nan 0.000 0.497 12 A N 0.495 123.296 122.820 -0.031 0.000 2.325 12 A HA 0.235 4.554 4.320 -0.002 0.000 0.260 12 A C 1.622 179.200 177.584 -0.010 0.000 1.133 12 A CA 0.085 52.111 52.037 -0.019 0.000 0.801 12 A CB 0.166 19.159 19.000 -0.012 0.000 1.092 12 A HN 0.170 nan 8.150 nan 0.000 0.504 13 V N -0.100 119.811 119.914 -0.005 0.000 2.287 13 V HA -0.238 3.881 4.120 -0.002 0.000 0.248 13 V C 2.219 178.315 176.094 0.003 0.000 1.053 13 V CA 2.753 65.052 62.300 -0.001 0.000 1.027 13 V CB -0.648 31.176 31.823 0.001 0.000 0.646 13 V HN 0.727 nan 8.190 nan 0.000 0.447 14 M N 0.274 119.877 119.600 0.005 0.000 2.132 14 M HA -0.016 4.462 4.480 -0.002 0.000 0.263 14 M C 2.330 178.636 176.300 0.009 0.000 1.065 14 M CA 1.965 57.270 55.300 0.008 0.000 1.122 14 M CB -2.133 30.474 32.600 0.012 0.000 1.365 14 M HN 0.479 nan 8.290 nan 0.000 0.411 15 G N -0.321 108.484 108.800 0.008 0.000 2.402 15 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.216 15 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.216 15 G C 1.826 176.731 174.900 0.009 0.000 1.162 15 G CA 0.623 45.729 45.100 0.010 0.000 0.777 15 G HN 0.422 nan 8.290 nan 0.000 0.539 16 R N 0.379 120.880 120.500 0.002 0.000 2.081 16 R HA -0.092 4.247 4.340 -0.002 0.000 0.235 16 R C 2.217 178.525 176.300 0.012 0.000 1.131 16 R CA 1.594 57.696 56.100 0.004 0.000 0.960 16 R CB -0.297 30.002 30.300 -0.002 0.000 0.856 16 R HN 0.222 nan 8.270 nan 0.000 0.436 17 N N 0.506 119.212 118.700 0.011 0.000 2.244 17 N HA -0.117 4.622 4.740 -0.002 0.000 0.183 17 N C 1.527 177.047 175.510 0.016 0.000 1.016 17 N CA 0.657 53.715 53.050 0.013 0.000 0.866 17 N CB -0.139 38.354 38.487 0.010 0.000 0.980 17 N HN 0.170 nan 8.380 nan 0.000 0.430 18 L N 0.714 121.945 121.223 0.014 0.000 2.093 18 L HA 0.038 4.377 4.340 -0.002 0.000 0.208 18 L C 2.150 179.031 176.870 0.019 0.000 1.085 18 L CA 1.133 55.981 54.840 0.014 0.000 0.755 18 L CB -1.494 40.572 42.059 0.011 0.000 0.904 18 L HN 0.087 nan 8.230 nan 0.000 0.435 19 A N -0.311 122.524 122.820 0.026 0.000 1.902 19 A HA -0.191 4.128 4.320 -0.002 0.000 0.217 19 A C 2.325 179.934 177.584 0.042 0.000 1.181 19 A CA 1.422 53.481 52.037 0.037 0.000 0.623 19 A CB -0.607 18.421 19.000 0.046 0.000 0.818 19 A HN 0.406 nan 8.150 nan 0.000 0.443 20 L N -0.196 121.049 121.223 0.036 0.000 2.141 20 L HA -0.167 4.171 4.340 -0.002 0.000 0.209 20 L C 2.555 179.452 176.870 0.044 0.000 1.094 20 L CA 1.183 56.046 54.840 0.039 0.000 0.763 20 L CB -0.579 41.497 42.059 0.030 0.000 0.908 20 L HN 0.487 nan 8.230 nan 0.000 0.437 21 N N 1.240 119.963 118.700 0.038 0.000 2.058 21 N HA -0.192 4.547 4.740 -0.002 0.000 0.191 21 N C 1.833 177.384 175.510 0.068 0.000 1.037 21 N CA 1.710 54.786 53.050 0.043 0.000 0.848 21 N CB -0.144 38.361 38.487 0.029 0.000 1.021 21 N HN 0.256 nan 8.380 nan 0.000 0.422 22 I N 0.988 121.594 120.570 0.060 0.000 2.163 22 I HA -0.216 3.953 4.170 -0.002 0.000 0.243 22 I C 2.500 178.731 176.117 0.190 0.000 1.085 22 I CA 1.176 62.529 61.300 0.088 0.000 1.347 22 I CB -0.379 37.613 38.000 -0.013 0.000 1.044 22 I HN 0.261 nan 8.210 nan 0.000 0.408 23 E N 1.068 121.345 120.200 0.128 0.000 2.118 23 E HA -0.241 4.108 4.350 -0.002 0.000 0.195 23 E C 2.212 178.876 176.600 0.106 0.000 0.992 23 E CA 1.830 58.307 56.400 0.128 0.000 0.804 23 E CB -0.078 29.673 29.700 0.085 0.000 0.741 23 E HN 0.527 nan 8.360 nan 0.000 0.458 24 S N 0.007 115.758 115.700 0.085 0.000 2.507 24 S HA -0.041 4.428 4.470 -0.002 0.000 0.235 24 S C 1.487 176.121 174.600 0.056 0.000 0.988 24 S CA 0.297 58.532 58.200 0.058 0.000 0.944 24 S CB -0.093 63.135 63.200 0.047 0.000 0.762 24 S HN 0.111 nan 8.310 nan 0.000 0.526 25 R N 0.725 121.284 120.500 0.098 0.000 2.317 25 R HA 0.325 4.664 4.340 -0.002 0.000 0.208 25 R C 1.595 177.845 176.300 -0.084 0.000 0.914 25 R CA 0.508 56.642 56.100 0.057 0.000 1.060 25 R CB -0.750 29.659 30.300 0.181 0.000 1.015 25 R HN 0.641 nan 8.270 nan 0.000 0.498 26 G N 0.084 108.852 108.800 -0.053 0.000 2.163 26 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.213 26 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.213 26 G C -0.301 174.500 174.900 -0.165 0.000 0.991 26 G CA -0.437 44.581 45.100 -0.137 0.000 0.653 26 G HN 0.278 nan 8.290 nan 0.000 0.518 27 Y N 1.552 121.855 120.300 0.005 0.000 2.335 27 Y HA 0.562 5.110 4.550 -0.002 0.000 0.323 27 Y C 1.307 177.214 175.900 0.011 0.000 1.224 27 Y CA 0.257 58.360 58.100 0.005 0.000 1.241 27 Y CB 1.252 39.714 38.460 0.003 0.000 1.235 27 Y HN 0.211 nan 8.280 nan 0.000 0.492 28 T N -0.575 114.097 114.554 0.196 0.000 2.837 28 T HA 0.708 5.056 4.350 -0.002 0.000 0.285 28 T C -0.837 173.932 174.700 0.116 0.000 0.984 28 T CA -0.749 61.424 62.100 0.121 0.000 1.049 28 T CB 0.993 69.913 68.868 0.086 0.000 0.947 28 T HN 0.354 nan 8.240 nan 0.000 0.472 29 V N 2.556 122.531 119.914 0.103 0.000 2.577 29 V HA 0.471 4.590 4.120 -0.002 0.000 0.303 29 V C 0.073 176.249 176.094 0.137 0.000 1.042 29 V CA -0.923 61.434 62.300 0.095 0.000 0.872 29 V CB 2.066 33.945 31.823 0.092 0.000 0.998 29 V HN 1.094 nan 8.190 nan 0.000 0.423 30 S N 5.473 121.260 115.700 0.144 0.000 2.562 30 S HA 0.747 5.215 4.470 -0.002 0.000 0.275 30 S C -0.199 174.671 174.600 0.450 0.000 1.281 30 S CA -0.388 57.994 58.200 0.303 0.000 1.045 30 S CB 0.819 64.025 63.200 0.010 0.000 0.962 30 S HN 0.686 nan 8.310 nan 0.000 0.503 31 I N 0.018 120.874 120.570 0.477 0.000 2.785 31 I HA 0.869 5.037 4.170 -0.002 0.000 0.302 31 I C -1.230 175.042 176.117 0.257 0.000 1.069 31 I CA -1.058 60.437 61.300 0.324 0.000 1.045 31 I CB 1.935 40.002 38.000 0.111 0.000 1.236 31 I HN 0.551 nan 8.210 nan 0.000 0.429 32 F N 3.599 123.424 119.950 -0.209 0.000 2.619 32 F HA 0.646 5.172 4.527 -0.002 0.000 0.308 32 F C -1.618 173.999 175.800 -0.305 0.000 1.097 32 F CA -0.394 57.387 58.000 -0.366 0.000 0.953 32 F CB 2.142 40.658 39.000 -0.806 0.000 1.287 32 F HN 0.745 nan 8.300 nan 0.000 0.446 33 N N 2.866 120.746 118.700 -1.368 0.000 2.264 33 N HA 0.340 5.079 4.740 -0.002 0.000 0.288 33 N C 0.187 175.050 175.510 -1.079 0.000 1.094 33 N CA -0.677 51.854 53.050 -0.866 0.000 0.817 33 N CB 2.195 40.428 38.487 -0.424 0.000 1.604 33 N HN 0.730 nan 8.380 nan 0.000 0.473 34 R N 0.958 121.167 120.500 -0.484 0.000 2.105 34 R HA 0.082 4.421 4.340 -0.002 0.000 0.239 34 R C -0.307 175.897 176.300 -0.159 0.000 1.135 34 R CA 1.099 57.086 56.100 -0.188 0.000 0.967 34 R CB -0.106 30.201 30.300 0.011 0.000 0.861 34 R HN 0.468 nan 8.270 nan 0.000 0.442 35 S N 0.949 116.555 115.700 -0.157 0.000 2.411 35 S HA 0.199 4.667 4.470 -0.002 0.000 0.304 35 S C 0.420 174.946 174.600 -0.124 0.000 1.098 35 S CA -0.431 57.712 58.200 -0.095 0.000 1.068 35 S CB 1.191 64.351 63.200 -0.067 0.000 1.032 35 S HN 0.301 nan 8.310 nan 0.000 0.511 36 R N 1.960 122.418 120.500 -0.071 0.000 2.152 36 R HA -0.125 4.214 4.340 -0.002 0.000 0.232 36 R C 1.381 177.729 176.300 0.079 0.000 1.117 36 R CA 1.197 57.310 56.100 0.021 0.000 0.981 36 R CB -0.083 30.327 30.300 0.183 0.000 0.870 36 R HN 0.490 nan 8.270 nan 0.000 0.451 37 E N 0.581 120.795 120.200 0.023 0.000 2.153 37 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 37 E C 1.630 178.235 176.600 0.009 0.000 0.988 37 E CA 0.959 57.370 56.400 0.019 0.000 0.811 37 E CB 0.072 29.770 29.700 -0.003 0.000 0.746 37 E HN 0.088 nan 8.360 nan 0.000 0.466 38 K N 0.022 120.408 120.400 -0.024 0.000 2.057 38 K HA -0.011 4.308 4.320 -0.002 0.000 0.206 38 K C 2.174 178.752 176.600 -0.036 0.000 1.050 38 K CA 1.310 57.575 56.287 -0.037 0.000 0.935 38 K CB -0.789 31.672 32.500 -0.065 0.000 0.715 38 K HN 0.172 nan 8.250 nan 0.000 0.439 39 T N 1.794 116.312 114.554 -0.059 0.000 2.720 39 T HA -0.131 4.218 4.350 -0.002 0.000 0.268 39 T C 1.754 176.480 174.700 0.044 0.000 1.037 39 T CA 1.395 63.453 62.100 -0.071 0.000 1.144 39 T CB -0.120 68.611 68.868 -0.229 0.000 0.864 39 T HN 0.371 nan 8.240 nan 0.000 0.444 40 E N 0.676 120.956 120.200 0.132 0.000 2.118 40 E HA -0.179 4.169 4.350 -0.002 0.000 0.195 40 E C 2.319 178.948 176.600 0.048 0.000 0.992 40 E CA 0.992 57.463 56.400 0.118 0.000 0.804 40 E CB -0.107 29.637 29.700 0.073 0.000 0.741 40 E HN 0.585 nan 8.360 nan 0.000 0.458 41 E N 0.537 120.752 120.200 0.025 0.000 2.077 41 E HA -0.176 4.172 4.350 -0.002 0.000 0.193 41 E C 2.136 178.741 176.600 0.008 0.000 0.989 41 E CA 1.039 57.445 56.400 0.010 0.000 0.800 41 E CB 0.189 29.889 29.700 -0.000 0.000 0.746 41 E HN 0.046 nan 8.360 nan 0.000 0.452 42 V N 1.519 121.436 119.914 0.005 0.000 2.343 42 V HA -0.271 3.847 4.120 -0.002 0.000 0.247 42 V C 2.367 178.469 176.094 0.013 0.000 1.051 42 V CA 1.193 63.495 62.300 0.004 0.000 1.036 42 V CB -0.380 31.440 31.823 -0.005 0.000 0.654 42 V HN 0.369 nan 8.190 nan 0.000 0.451 43 I N 0.626 121.208 120.570 0.021 0.000 2.202 43 I HA -0.173 3.996 4.170 -0.002 0.000 0.242 43 I C 2.700 178.829 176.117 0.020 0.000 1.091 43 I CA 1.899 63.214 61.300 0.026 0.000 1.368 43 I CB -1.698 36.328 38.000 0.043 0.000 1.058 43 I HN 0.300 nan 8.210 nan 0.000 0.410 44 A N 0.224 123.055 122.820 0.018 0.000 1.978 44 A HA -0.201 4.118 4.320 -0.002 0.000 0.220 44 A C 2.160 179.749 177.584 0.009 0.000 1.170 44 A CA 1.547 53.591 52.037 0.011 0.000 0.636 44 A CB -0.600 18.405 19.000 0.008 0.000 0.810 44 A HN 0.516 nan 8.150 nan 0.000 0.448 45 E N -0.834 119.371 120.200 0.009 0.000 2.435 45 E HA -0.015 4.334 4.350 -0.002 0.000 0.195 45 E C -0.324 176.282 176.600 0.010 0.000 1.029 45 E CA 0.411 56.815 56.400 0.008 0.000 0.865 45 E CB 0.038 29.742 29.700 0.006 0.000 0.833 45 E HN 0.699 nan 8.360 nan 0.000 0.510 46 N N 1.272 119.979 118.700 0.012 0.000 2.679 46 N HA 0.117 4.856 4.740 -0.002 0.000 0.302 46 N C -2.703 172.816 175.510 0.015 0.000 1.941 46 N CA -0.936 52.123 53.050 0.015 0.000 0.875 46 N CB 1.047 39.545 38.487 0.018 0.000 1.278 46 N HN 0.022 nan 8.380 nan 0.000 0.490 47 P HA 0.132 nan 4.420 nan 0.000 0.268 47 P C 0.939 178.247 177.300 0.013 0.000 1.205 47 P CA 0.778 63.886 63.100 0.012 0.000 0.771 47 P CB 1.141 32.846 31.700 0.009 0.000 0.858 48 G N 1.230 110.038 108.800 0.014 0.000 2.217 48 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.246 48 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.246 48 G C 0.093 175.003 174.900 0.018 0.000 0.990 48 G CA -0.117 44.991 45.100 0.014 0.000 0.627 48 G HN 0.572 nan 8.290 nan 0.000 0.522 49 K N 0.648 121.061 120.400 0.022 0.000 2.123 49 K HA 0.435 4.754 4.320 -0.002 0.000 0.259 49 K C 0.377 176.997 176.600 0.034 0.000 0.960 49 K CA -0.728 55.576 56.287 0.028 0.000 0.872 49 K CB 1.233 33.751 32.500 0.030 0.000 1.079 49 K HN 0.225 nan 8.250 nan 0.000 0.440 50 K N 2.821 123.246 120.400 0.041 0.000 2.715 50 K HA 0.186 4.505 4.320 -0.002 0.000 0.248 50 K C -0.152 176.485 176.600 0.062 0.000 1.276 50 K CA 0.058 56.374 56.287 0.048 0.000 1.209 50 K CB -0.401 32.129 32.500 0.050 0.000 1.509 50 K HN 0.236 nan 8.250 nan 0.000 0.261 51 L N 1.214 122.470 121.223 0.055 0.000 2.317 51 L HA 0.433 4.772 4.340 -0.002 0.000 0.281 51 L C -0.329 176.575 176.870 0.057 0.000 1.024 51 L CA -1.173 53.707 54.840 0.066 0.000 0.810 51 L CB 1.823 43.914 42.059 0.052 0.000 1.240 51 L HN -0.060 nan 8.230 nan 0.000 0.427 52 V N 4.009 123.974 119.914 0.085 0.000 2.407 52 V HA 0.409 4.527 4.120 -0.002 0.000 0.291 52 V C -2.198 173.876 176.094 -0.033 0.000 1.018 52 V CA -1.538 60.779 62.300 0.029 0.000 0.842 52 V CB 1.870 33.758 31.823 0.109 0.000 0.996 52 V HN 0.588 nan 8.190 nan 0.000 0.426 53 P HA 0.445 nan 4.420 nan 0.000 0.288 53 P C -1.699 175.200 177.300 -0.668 0.000 1.267 53 P CA -0.379 62.555 63.100 -0.278 0.000 0.815 53 P CB 1.079 32.681 31.700 -0.162 0.000 0.989 54 Y N 0.874 121.045 120.300 -0.215 0.000 2.499 54 Y HA 0.345 4.894 4.550 -0.002 0.000 0.347 54 Y C 0.564 176.272 175.900 -0.320 0.000 0.987 54 Y CA -0.231 57.831 58.100 -0.064 0.000 1.044 54 Y CB 2.054 40.660 38.460 0.245 0.000 1.245 54 Y HN 0.295 nan 8.280 nan 0.000 0.461 55 Y N -0.474 120.048 120.300 0.371 0.000 2.500 55 Y HA 0.201 4.750 4.550 -0.002 0.000 0.246 55 Y C 0.577 176.717 175.900 0.401 0.000 1.146 55 Y CA -0.195 58.085 58.100 0.300 0.000 1.230 55 Y CB 1.028 39.559 38.460 0.119 0.000 1.214 55 Y HN 0.535 nan 8.280 nan 0.000 0.526 56 T N -4.365 110.442 114.554 0.421 0.000 2.906 56 T HA 0.395 4.743 4.350 -0.002 0.000 0.295 56 T C 0.702 175.279 174.700 -0.206 0.000 1.075 56 T CA -0.570 61.635 62.100 0.174 0.000 1.005 56 T CB 1.724 70.641 68.868 0.082 0.000 1.136 56 T HN -0.232 nan 8.240 nan 0.000 0.498 57 V N 1.600 121.202 119.914 -0.521 0.000 2.358 57 V HA -0.080 4.039 4.120 -0.002 0.000 0.246 57 V C 2.844 178.589 176.094 -0.582 0.000 1.047 57 V CA 2.073 63.949 62.300 -0.707 0.000 1.035 57 V CB -0.810 30.719 31.823 -0.490 0.000 0.658 57 V HN 1.046 nan 8.190 nan 0.000 0.452 58 K N 0.439 120.354 120.400 -0.809 0.000 2.044 58 K HA -0.270 4.049 4.320 -0.002 0.000 0.210 58 K C 2.074 178.374 176.600 -0.499 0.000 1.049 58 K CA 2.248 57.861 56.287 -1.123 0.000 0.927 58 K CB -0.151 31.896 32.500 -0.754 0.000 0.713 58 K HN 0.576 nan 8.250 nan 0.000 0.443 59 E N -0.414 119.643 120.200 -0.238 0.000 2.107 59 E HA -0.157 4.191 4.350 -0.002 0.000 0.191 59 E C 1.784 178.189 176.600 -0.325 0.000 0.982 59 E CA 0.964 57.303 56.400 -0.102 0.000 0.809 59 E CB -0.193 29.614 29.700 0.179 0.000 0.756 59 E HN 0.324 nan 8.360 nan 0.000 0.459 60 F N 1.346 121.023 119.950 -0.456 0.000 2.069 60 F HA -0.260 4.266 4.527 -0.002 0.000 0.298 60 F C 2.049 177.522 175.800 -0.544 0.000 1.113 60 F CA 1.308 58.921 58.000 -0.645 0.000 1.214 60 F CB -0.391 38.383 39.000 -0.377 0.000 0.978 60 F HN -0.204 nan 8.300 nan 0.000 0.474 61 V N 0.674 120.355 119.914 -0.389 0.000 2.343 61 V HA -0.292 3.826 4.120 -0.002 0.000 0.247 61 V C 2.188 178.057 176.094 -0.375 0.000 1.051 61 V CA 2.319 64.384 62.300 -0.392 0.000 1.036 61 V CB -0.799 30.931 31.823 -0.154 0.000 0.654 61 V HN 0.383 nan 8.190 nan 0.000 0.451 62 E N 0.644 120.647 120.200 -0.328 0.000 2.268 62 E HA -0.150 4.199 4.350 -0.002 0.000 0.195 62 E C 2.198 178.639 176.600 -0.264 0.000 0.995 62 E CA 1.274 57.535 56.400 -0.231 0.000 0.836 62 E CB -0.178 29.425 29.700 -0.160 0.000 0.763 62 E HN 0.758 nan 8.360 nan 0.000 0.491 63 S N 0.213 115.644 115.700 -0.448 0.000 2.561 63 S HA 0.002 4.470 4.470 -0.002 0.000 0.225 63 S C 0.804 175.212 174.600 -0.320 0.000 0.977 63 S CA 0.024 57.977 58.200 -0.412 0.000 0.926 63 S CB -0.156 62.561 63.200 -0.806 0.000 0.769 63 S HN 0.040 nan 8.310 nan 0.000 0.533 64 L N 2.037 123.048 121.223 -0.353 0.000 2.307 64 L HA 0.427 4.766 4.340 -0.002 0.000 0.282 64 L C 0.303 177.079 176.870 -0.156 0.000 1.051 64 L CA -0.699 53.979 54.840 -0.270 0.000 0.804 64 L CB 1.001 42.853 42.059 -0.346 0.000 1.197 64 L HN 0.181 nan 8.230 nan 0.000 0.431 65 E N 1.266 121.403 120.200 -0.106 0.000 2.413 65 E HA 0.089 4.438 4.350 -0.002 0.000 0.263 65 E C -0.225 176.340 176.600 -0.059 0.000 1.015 65 E CA -0.001 56.362 56.400 -0.062 0.000 0.916 65 E CB 0.642 30.321 29.700 -0.035 0.000 0.947 65 E HN 0.583 nan 8.360 nan 0.000 0.440 66 T N 0.308 114.839 114.554 -0.038 0.000 2.902 66 T HA 0.445 4.794 4.350 -0.002 0.000 0.283 66 T C -2.038 172.654 174.700 -0.013 0.000 1.009 66 T CA -1.834 60.251 62.100 -0.024 0.000 1.051 66 T CB 1.077 69.936 68.868 -0.014 0.000 0.999 66 T HN 0.234 nan 8.240 nan 0.000 0.474 67 P HA 0.262 nan 4.420 nan 0.000 0.271 67 P C -0.322 176.970 177.300 -0.014 0.000 1.216 67 P CA -0.592 62.510 63.100 0.004 0.000 0.771 67 P CB 0.718 32.428 31.700 0.017 0.000 0.864 68 R N 2.226 122.715 120.500 -0.018 0.000 2.594 68 R HA 0.291 4.630 4.340 -0.002 0.000 0.272 68 R C 0.481 176.755 176.300 -0.044 0.000 1.074 68 R CA -0.157 55.910 56.100 -0.055 0.000 1.105 68 R CB 0.625 30.879 30.300 -0.077 0.000 1.008 68 R HN 0.441 nan 8.270 nan 0.000 0.472 69 R N 2.612 123.071 120.500 -0.069 0.000 2.388 69 R HA 0.406 4.744 4.340 -0.002 0.000 0.314 69 R C -0.702 175.568 176.300 -0.049 0.000 0.959 69 R CA -0.353 55.713 56.100 -0.057 0.000 0.851 69 R CB 1.163 31.414 30.300 -0.083 0.000 1.168 69 R HN 0.464 nan 8.270 nan 0.000 0.472 70 I N 4.365 124.933 120.570 -0.003 0.000 2.418 70 I HA 0.254 4.423 4.170 -0.002 0.000 0.287 70 I C -0.943 175.218 176.117 0.072 0.000 1.008 70 I CA -1.071 60.272 61.300 0.070 0.000 1.104 70 I CB 1.895 39.966 38.000 0.119 0.000 1.264 70 I HN 0.307 nan 8.210 nan 0.000 0.438 71 L N 8.242 129.516 121.223 0.084 0.000 2.272 71 L HA 0.557 4.896 4.340 -0.002 0.000 0.289 71 L C -1.065 175.854 176.870 0.082 0.000 1.032 71 L CA -0.053 54.822 54.840 0.058 0.000 0.810 71 L CB 0.959 43.034 42.059 0.026 0.000 1.205 71 L HN 0.431 nan 8.230 nan 0.000 0.422 72 L N 6.496 127.766 121.223 0.078 0.000 2.282 72 L HA 0.510 4.848 4.340 -0.002 0.000 0.288 72 L C -0.189 176.723 176.870 0.071 0.000 1.033 72 L CA -0.336 54.550 54.840 0.077 0.000 0.807 72 L CB 1.338 43.455 42.059 0.097 0.000 1.209 72 L HN 0.579 nan 8.230 nan 0.000 0.423 73 M N 4.752 124.383 119.600 0.052 0.000 2.693 73 M HA 0.361 4.840 4.480 -0.002 0.000 0.224 73 M C -0.836 175.486 176.300 0.036 0.000 1.149 73 M CA -0.082 55.246 55.300 0.046 0.000 0.622 73 M CB 1.000 33.620 32.600 0.033 0.000 1.443 73 M HN 0.259 nan 8.290 nan 0.000 0.431 74 V N 0.555 120.496 119.914 0.046 0.000 3.103 74 V HA 0.453 4.571 4.120 -0.002 0.000 0.318 74 V C 0.444 176.565 176.094 0.044 0.000 1.114 74 V CA -1.189 61.133 62.300 0.037 0.000 1.020 74 V CB 2.927 34.774 31.823 0.041 0.000 1.085 74 V HN 0.517 nan 8.190 nan 0.000 0.446 75 K N 1.688 122.109 120.400 0.036 0.000 2.484 75 K HA 0.314 4.632 4.320 -0.002 0.000 0.280 75 K C 0.192 176.828 176.600 0.060 0.000 1.013 75 K CA 0.089 56.401 56.287 0.042 0.000 1.029 75 K CB 0.469 32.988 32.500 0.032 0.000 0.902 75 K HN 0.880 nan 8.250 nan 0.000 0.481 76 A N 3.539 126.407 122.820 0.080 0.000 2.483 76 A HA 0.448 4.767 4.320 -0.002 0.000 0.238 76 A C 0.886 178.539 177.584 0.114 0.000 1.070 76 A CA 0.691 52.797 52.037 0.116 0.000 0.770 76 A CB -0.305 18.814 19.000 0.200 0.000 1.008 76 A HN 1.109 nan 8.150 nan 0.000 0.497 77 G N 0.517 109.379 108.800 0.104 0.000 2.601 77 G HA2 0.197 4.156 3.960 -0.002 0.000 0.224 77 G HA3 0.197 4.156 3.960 -0.002 0.000 0.224 77 G C 1.255 176.187 174.900 0.053 0.000 1.171 77 G CA 1.061 46.210 45.100 0.081 0.000 1.009 77 G HN 1.986 nan 8.290 nan 0.000 0.589 78 A N -0.096 122.750 122.820 0.044 0.000 1.917 78 A HA 0.197 4.515 4.320 -0.002 0.000 0.219 78 A C 2.954 180.558 177.584 0.034 0.000 1.182 78 A CA 3.311 55.368 52.037 0.032 0.000 0.633 78 A CB -1.280 17.737 19.000 0.028 0.000 0.819 78 A HN 2.295 nan 8.150 nan 0.000 0.448 79 G N -1.438 107.386 108.800 0.039 0.000 2.418 79 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.217 79 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.217 79 G C 1.566 176.492 174.900 0.043 0.000 1.158 79 G CA 1.647 46.770 45.100 0.039 0.000 0.771 79 G HN 0.446 nan 8.290 nan 0.000 0.545 80 T N 0.698 115.281 114.554 0.050 0.000 2.812 80 T HA -0.049 4.299 4.350 -0.002 0.000 0.264 80 T C 1.987 176.713 174.700 0.043 0.000 1.042 80 T CA 1.210 63.344 62.100 0.057 0.000 1.140 80 T CB -0.222 68.689 68.868 0.072 0.000 0.870 80 T HN 0.185 nan 8.240 nan 0.000 0.445 81 D N 1.286 121.705 120.400 0.031 0.000 2.144 81 D HA -0.037 4.602 4.640 -0.002 0.000 0.199 81 D C 2.361 178.668 176.300 0.012 0.000 0.984 81 D CA 1.160 55.168 54.000 0.014 0.000 0.834 81 D CB -0.160 40.644 40.800 0.007 0.000 0.955 81 D HN 0.383 nan 8.370 nan 0.000 0.465 82 A N 1.236 124.069 122.820 0.021 0.000 1.933 82 A HA -0.048 4.271 4.320 -0.002 0.000 0.218 82 A C 2.344 179.943 177.584 0.025 0.000 1.175 82 A CA 1.999 54.050 52.037 0.022 0.000 0.628 82 A CB -0.531 18.488 19.000 0.031 0.000 0.814 82 A HN 0.240 nan 8.150 nan 0.000 0.444 83 A N 0.035 122.874 122.820 0.032 0.000 1.877 83 A HA -0.083 4.236 4.320 -0.002 0.000 0.216 83 A C 2.124 179.714 177.584 0.011 0.000 1.186 83 A CA 1.534 53.590 52.037 0.031 0.000 0.620 83 A CB -0.607 18.419 19.000 0.043 0.000 0.822 83 A HN 0.489 nan 8.150 nan 0.000 0.443 84 I N -0.047 120.528 120.570 0.008 0.000 2.226 84 I HA -0.239 3.930 4.170 -0.002 0.000 0.245 84 I C 1.765 177.858 176.117 -0.040 0.000 1.100 84 I CA 1.487 62.775 61.300 -0.020 0.000 1.374 84 I CB -0.480 37.503 38.000 -0.029 0.000 1.057 84 I HN 0.251 nan 8.210 nan 0.000 0.413 85 D N 0.500 120.885 120.400 -0.025 0.000 2.178 85 D HA -0.129 4.509 4.640 -0.002 0.000 0.201 85 D C 2.368 178.649 176.300 -0.033 0.000 0.980 85 D CA 1.213 55.195 54.000 -0.030 0.000 0.842 85 D CB -0.128 40.661 40.800 -0.017 0.000 0.948 85 D HN 0.209 nan 8.370 nan 0.000 0.472 86 S N 0.200 115.895 115.700 -0.009 0.000 2.383 86 S HA -0.021 4.447 4.470 -0.002 0.000 0.227 86 S C 2.177 176.810 174.600 0.055 0.000 1.026 86 S CA 0.403 58.614 58.200 0.018 0.000 0.981 86 S CB -0.041 63.176 63.200 0.028 0.000 0.818 86 S HN 0.240 nan 8.310 nan 0.000 0.472 87 L N 1.094 122.333 121.223 0.027 0.000 2.109 87 L HA -0.042 4.296 4.340 -0.002 0.000 0.207 87 L C 2.376 179.243 176.870 -0.004 0.000 1.086 87 L CA 0.981 55.863 54.840 0.070 0.000 0.760 87 L CB -0.425 41.633 42.059 -0.002 0.000 0.910 87 L HN 0.198 nan 8.230 nan 0.000 0.437 88 K N 0.163 120.500 120.400 -0.106 0.000 2.052 88 K HA -0.221 4.098 4.320 -0.002 0.000 0.215 88 K C -0.319 176.221 176.600 -0.100 0.000 1.053 88 K CA 2.035 58.239 56.287 -0.139 0.000 0.934 88 K CB -1.274 31.177 32.500 -0.081 0.000 0.717 88 K HN 0.267 nan 8.250 nan 0.000 0.450 89 P HA -0.155 nan 4.420 nan 0.000 0.221 89 P C 0.523 177.634 177.300 -0.315 0.000 1.145 89 P CA 1.331 64.237 63.100 -0.323 0.000 0.795 89 P CB 0.006 31.370 31.700 -0.561 0.000 0.775 90 Y N -1.755 118.536 120.300 -0.013 0.000 2.500 90 Y HA 0.178 4.727 4.550 -0.002 0.000 0.270 90 Y C 1.438 177.330 175.900 -0.014 0.000 1.134 90 Y CA -0.356 57.733 58.100 -0.020 0.000 1.293 90 Y CB -0.690 37.743 38.460 -0.045 0.000 1.063 90 Y HN -0.136 nan 8.280 nan 0.000 0.534 91 L N 0.473 121.763 121.223 0.112 0.000 2.475 91 L HA 0.182 4.520 4.340 -0.002 0.000 0.253 91 L C -0.121 176.865 176.870 0.193 0.000 1.198 91 L CA -0.286 54.614 54.840 0.100 0.000 0.814 91 L CB 0.431 42.455 42.059 -0.058 0.000 1.134 91 L HN 0.019 nan 8.230 nan 0.000 0.478 92 D N 0.307 120.832 120.400 0.207 0.000 2.269 92 D HA 0.245 4.884 4.640 -0.002 0.000 0.244 92 D C -0.413 176.047 176.300 0.267 0.000 0.992 92 D CA -0.648 53.463 54.000 0.184 0.000 0.894 92 D CB 1.526 42.384 40.800 0.097 0.000 1.248 92 D HN 0.182 nan 8.370 nan 0.000 0.468 93 K N 0.160 120.619 120.400 0.098 0.000 2.485 93 K HA 0.282 4.601 4.320 -0.002 0.000 0.277 93 K C 1.194 177.824 176.600 0.049 0.000 0.990 93 K CA 0.341 56.597 56.287 -0.052 0.000 0.994 93 K CB 0.339 32.762 32.500 -0.130 0.000 0.906 93 K HN 0.795 nan 8.250 nan 0.000 0.488 94 G N 1.868 110.707 108.800 0.064 0.000 2.217 94 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.246 94 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.246 94 G C -0.040 174.954 174.900 0.158 0.000 0.990 94 G CA 0.070 45.224 45.100 0.090 0.000 0.627 94 G HN 0.597 nan 8.290 nan 0.000 0.522 95 D N 0.272 120.828 120.400 0.260 0.000 2.378 95 D HA 0.457 5.096 4.640 -0.002 0.000 0.238 95 D C 0.792 177.205 176.300 0.188 0.000 1.180 95 D CA 0.412 54.524 54.000 0.186 0.000 0.895 95 D CB 0.688 41.574 40.800 0.143 0.000 1.192 95 D HN 0.349 nan 8.370 nan 0.000 0.438 96 I N 1.796 122.420 120.570 0.091 0.000 2.382 96 I HA 0.302 4.471 4.170 -0.002 0.000 0.286 96 I C -0.204 175.949 176.117 0.059 0.000 1.002 96 I CA -0.444 60.905 61.300 0.081 0.000 1.135 96 I CB 1.152 39.170 38.000 0.030 0.000 1.288 96 I HN 0.041 nan 8.210 nan 0.000 0.448 97 I N 7.236 127.874 120.570 0.113 0.000 2.378 97 I HA 0.451 4.620 4.170 -0.002 0.000 0.291 97 I C -0.489 175.675 176.117 0.078 0.000 0.992 97 I CA -0.487 60.890 61.300 0.129 0.000 1.154 97 I CB 1.595 39.728 38.000 0.221 0.000 1.315 97 I HN 0.394 nan 8.210 nan 0.000 0.448 98 I N 5.079 125.658 120.570 0.014 0.000 2.382 98 I HA 0.195 4.364 4.170 -0.002 0.000 0.285 98 I C -0.632 175.478 176.117 -0.011 0.000 1.007 98 I CA -0.460 60.783 61.300 -0.095 0.000 1.142 98 I CB 1.511 39.467 38.000 -0.074 0.000 1.289 98 I HN 0.489 nan 8.210 nan 0.000 0.453 99 D N 5.265 125.651 120.400 -0.024 0.000 2.380 99 D HA 0.256 4.895 4.640 -0.002 0.000 0.230 99 D C 0.947 177.341 176.300 0.157 0.000 1.154 99 D CA -0.250 53.847 54.000 0.162 0.000 0.859 99 D CB 1.479 42.505 40.800 0.377 0.000 1.045 99 D HN 0.673 nan 8.370 nan 0.000 0.495 100 G N 2.655 111.531 108.800 0.126 0.000 3.189 100 G HA2 0.289 4.247 3.960 -0.002 0.000 0.225 100 G HA3 0.289 4.247 3.960 -0.002 0.000 0.225 100 G C 0.786 175.789 174.900 0.171 0.000 1.159 100 G CA -0.083 45.093 45.100 0.127 0.000 0.763 100 G HN 0.556 nan 8.290 nan 0.000 0.549 101 G N 0.107 109.013 108.800 0.176 0.000 2.651 101 G HA2 0.234 4.193 3.960 -0.002 0.000 0.260 101 G HA3 0.234 4.193 3.960 -0.002 0.000 0.260 101 G C 0.027 174.990 174.900 0.106 0.000 1.216 101 G CA -0.658 44.513 45.100 0.117 0.000 0.913 101 G HN 0.112 nan 8.290 nan 0.000 0.535 102 N N 0.692 119.441 118.700 0.083 0.000 3.245 102 N HA 0.133 4.871 4.740 -0.002 0.000 0.296 102 N C 0.009 175.613 175.510 0.157 0.000 1.254 102 N CA 0.186 53.302 53.050 0.110 0.000 1.190 102 N CB 0.365 38.911 38.487 0.099 0.000 1.460 102 N HN 0.241 nan 8.380 nan 0.000 0.538 103 T N 1.114 115.573 114.554 -0.158 0.000 2.897 103 T HA 0.142 4.491 4.350 -0.002 0.000 0.294 103 T C 0.304 174.947 174.700 -0.095 0.000 1.004 103 T CA -0.345 61.649 62.100 -0.176 0.000 1.106 103 T CB 0.596 69.165 68.868 -0.498 0.000 0.949 103 T HN 0.161 nan 8.240 nan 0.000 0.520 104 F N 4.854 124.605 119.950 -0.332 0.000 2.578 104 F HA 0.197 4.723 4.527 -0.002 0.000 0.376 104 F C 1.077 176.700 175.800 -0.294 0.000 1.085 104 F CA -1.761 55.816 58.000 -0.704 0.000 1.260 104 F CB 0.079 38.408 39.000 -1.118 0.000 1.095 104 F HN 0.654 nan 8.300 nan 0.000 0.573 105 F N 2.328 121.732 119.950 -0.910 0.000 2.216 105 F HA -0.147 4.379 4.527 -0.002 0.000 0.300 105 F C 1.713 177.215 175.800 -0.496 0.000 1.085 105 F CA 1.088 58.792 58.000 -0.492 0.000 1.326 105 F CB -0.819 38.029 39.000 -0.254 0.000 1.027 105 F HN 0.480 nan 8.300 nan 0.000 0.497 106 Q N 0.950 119.671 119.800 -1.798 0.000 2.224 106 Q HA -0.140 4.198 4.340 -0.002 0.000 0.203 106 Q C 1.563 177.318 176.000 -0.408 0.000 0.970 106 Q CA 1.438 56.619 55.803 -1.036 0.000 0.865 106 Q CB -0.532 27.671 28.738 -0.891 0.000 0.922 106 Q HN 0.529 nan 8.270 nan 0.000 0.445 107 D N 0.029 120.260 120.400 -0.282 0.000 2.144 107 D HA -0.086 4.553 4.640 -0.002 0.000 0.200 107 D C 1.710 177.985 176.300 -0.041 0.000 0.978 107 D CA 1.255 55.199 54.000 -0.094 0.000 0.833 107 D CB -0.123 40.660 40.800 -0.029 0.000 0.961 107 D HN 0.185 nan 8.370 nan 0.000 0.470 108 T N 0.926 115.488 114.554 0.013 0.000 2.867 108 T HA -0.011 4.337 4.350 -0.002 0.000 0.268 108 T C 2.201 176.996 174.700 0.158 0.000 1.057 108 T CA 0.351 62.576 62.100 0.209 0.000 1.136 108 T CB -0.030 69.079 68.868 0.401 0.000 0.874 108 T HN 0.157 nan 8.240 nan 0.000 0.466 109 I N 0.869 121.474 120.570 0.058 0.000 2.226 109 I HA -0.170 3.998 4.170 -0.002 0.000 0.245 109 I C 2.822 178.954 176.117 0.025 0.000 1.100 109 I CA 1.253 62.597 61.300 0.074 0.000 1.374 109 I CB -0.350 37.666 38.000 0.026 0.000 1.057 109 I HN 0.149 nan 8.210 nan 0.000 0.413 110 R N 1.346 121.828 120.500 -0.030 0.000 2.073 110 R HA -0.167 4.171 4.340 -0.002 0.000 0.234 110 R C 2.466 178.722 176.300 -0.074 0.000 1.134 110 R CA 1.522 57.596 56.100 -0.044 0.000 0.952 110 R CB -0.157 30.110 30.300 -0.055 0.000 0.850 110 R HN 0.249 nan 8.270 nan 0.000 0.433 111 R N 0.266 120.694 120.500 -0.120 0.000 2.081 111 R HA -0.116 4.223 4.340 -0.002 0.000 0.235 111 R C 2.356 178.406 176.300 -0.418 0.000 1.131 111 R CA 1.624 57.548 56.100 -0.292 0.000 0.960 111 R CB -0.640 29.412 30.300 -0.413 0.000 0.856 111 R HN 0.493 nan 8.270 nan 0.000 0.436 112 N N 1.138 119.701 118.700 -0.228 0.000 2.120 112 N HA -0.225 4.514 4.740 -0.002 0.000 0.188 112 N C 1.956 177.476 175.510 0.018 0.000 1.024 112 N CA 1.089 54.146 53.050 0.013 0.000 0.852 112 N CB 0.062 38.733 38.487 0.305 0.000 1.003 112 N HN 0.175 nan 8.380 nan 0.000 0.424 113 R N 0.813 121.317 120.500 0.007 0.000 2.073 113 R HA -0.102 4.237 4.340 -0.002 0.000 0.234 113 R C 1.922 178.217 176.300 -0.009 0.000 1.134 113 R CA 1.644 57.753 56.100 0.016 0.000 0.952 113 R CB -0.024 30.284 30.300 0.013 0.000 0.850 113 R HN 0.347 nan 8.270 nan 0.000 0.433 114 E N 0.278 120.453 120.200 -0.042 0.000 2.047 114 E HA -0.174 4.175 4.350 -0.002 0.000 0.191 114 E C 2.085 178.679 176.600 -0.010 0.000 0.987 114 E CA 1.369 57.749 56.400 -0.033 0.000 0.799 114 E CB -0.057 29.613 29.700 -0.050 0.000 0.752 114 E HN 0.348 nan 8.360 nan 0.000 0.449 115 L N 0.591 121.792 121.223 -0.035 0.000 2.156 115 L HA -0.107 4.231 4.340 -0.002 0.000 0.208 115 L C 2.451 179.391 176.870 0.117 0.000 1.095 115 L CA 0.597 55.493 54.840 0.094 0.000 0.770 115 L CB -0.162 41.895 42.059 -0.003 0.000 0.914 115 L HN 0.045 nan 8.230 nan 0.000 0.439 116 S N 0.087 115.831 115.700 0.072 0.000 2.383 116 S HA -0.099 4.370 4.470 -0.002 0.000 0.227 116 S C 2.199 176.799 174.600 -0.001 0.000 1.026 116 S CA 1.098 59.339 58.200 0.069 0.000 0.981 116 S CB -0.175 63.078 63.200 0.089 0.000 0.818 116 S HN 0.478 nan 8.310 nan 0.000 0.472 117 A N 1.445 124.260 122.820 -0.008 0.000 2.015 117 A HA -0.081 4.238 4.320 -0.002 0.000 0.219 117 A C 1.811 179.344 177.584 -0.084 0.000 1.163 117 A CA 1.111 53.127 52.037 -0.035 0.000 0.646 117 A CB -0.369 18.618 19.000 -0.022 0.000 0.806 117 A HN 0.534 nan 8.150 nan 0.000 0.448 118 E N -1.536 118.597 120.200 -0.111 0.000 2.502 118 E HA 0.239 4.588 4.350 -0.002 0.000 0.194 118 E C 1.036 177.311 176.600 -0.543 0.000 1.062 118 E CA 0.277 56.529 56.400 -0.246 0.000 0.867 118 E CB -0.081 29.548 29.700 -0.119 0.000 0.888 118 E HN 0.735 nan 8.360 nan 0.000 0.510 119 G N 0.868 109.434 108.800 -0.390 0.000 2.131 119 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.223 119 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.223 119 G C -0.114 174.536 174.900 -0.416 0.000 0.990 119 G CA -0.334 44.534 45.100 -0.387 0.000 0.671 119 G HN 0.190 nan 8.290 nan 0.000 0.521 120 F N 0.505 120.477 119.950 0.037 0.000 2.432 120 F HA 0.520 5.045 4.527 -0.002 0.000 0.329 120 F C 0.713 176.569 175.800 0.093 0.000 1.076 120 F CA -1.230 56.806 58.000 0.059 0.000 1.018 120 F CB 1.059 40.099 39.000 0.066 0.000 1.201 120 F HN -0.140 nan 8.300 nan 0.000 0.489 121 N N 2.228 121.110 118.700 0.303 0.000 2.419 121 N HA 0.211 4.950 4.740 -0.002 0.000 0.264 121 N C -1.422 174.258 175.510 0.283 0.000 1.031 121 N CA -0.098 53.083 53.050 0.219 0.000 0.951 121 N CB 1.301 39.867 38.487 0.132 0.000 1.101 121 N HN 0.413 nan 8.380 nan 0.000 0.488 122 F N 3.867 123.882 119.950 0.108 0.000 2.532 122 F HA 0.577 5.103 4.527 -0.002 0.000 0.321 122 F C -1.017 174.830 175.800 0.078 0.000 1.089 122 F CA -0.992 57.063 58.000 0.092 0.000 0.926 122 F CB 1.039 40.101 39.000 0.103 0.000 1.168 122 F HN 0.209 nan 8.300 nan 0.000 0.459 123 I N 4.363 124.393 120.570 -0.900 0.000 2.499 123 I HA 0.343 4.511 4.170 -0.002 0.000 0.288 123 I C -0.096 175.380 176.117 -1.068 0.000 1.048 123 I CA -0.526 60.352 61.300 -0.704 0.000 1.062 123 I CB 1.375 39.202 38.000 -0.288 0.000 1.238 123 I HN 0.768 nan 8.210 nan 0.000 0.426 124 G N 3.503 111.811 108.800 -0.820 0.000 2.347 124 G HA2 0.503 4.462 3.960 -0.002 0.000 0.314 124 G HA3 0.503 4.462 3.960 -0.002 0.000 0.314 124 G C -0.527 173.902 174.900 -0.786 0.000 1.126 124 G CA -0.227 44.508 45.100 -0.607 0.000 0.929 124 G HN 0.498 nan 8.290 nan 0.000 0.441 125 T N 1.095 115.232 114.554 -0.695 0.000 2.893 125 T HA 0.675 5.023 4.350 -0.002 0.000 0.293 125 T C 0.578 175.120 174.700 -0.262 0.000 1.027 125 T CA -0.068 61.754 62.100 -0.463 0.000 0.988 125 T CB 1.297 70.045 68.868 -0.200 0.000 1.043 125 T HN 0.690 nan 8.240 nan 0.000 0.461 126 G N 1.884 110.597 108.800 -0.144 0.000 2.444 126 G HA2 0.567 4.526 3.960 -0.002 0.000 0.268 126 G HA3 0.567 4.526 3.960 -0.002 0.000 0.268 126 G C -1.015 173.894 174.900 0.014 0.000 1.203 126 G CA -0.323 44.810 45.100 0.056 0.000 0.835 126 G HN 0.763 nan 8.290 nan 0.000 0.543 127 V N 0.654 120.583 119.914 0.024 0.000 2.569 127 V HA 0.601 4.720 4.120 -0.002 0.000 0.301 127 V C -0.155 175.910 176.094 -0.048 0.000 1.044 127 V CA -0.740 61.557 62.300 -0.006 0.000 0.874 127 V CB 1.600 33.429 31.823 0.010 0.000 1.002 127 V HN 0.831 nan 8.190 nan 0.000 0.424 128 S N 2.726 118.366 115.700 -0.101 0.000 2.526 128 S HA 0.845 5.313 4.470 -0.002 0.000 0.293 128 S C 0.469 174.989 174.600 -0.133 0.000 1.092 128 S CA 0.488 58.572 58.200 -0.193 0.000 0.980 128 S CB 1.763 64.638 63.200 -0.543 0.000 1.048 128 S HN 1.423 nan 8.310 nan 0.000 0.483 129 G N 1.827 110.563 108.800 -0.106 0.000 4.106 129 G HA2 0.396 4.354 3.960 -0.002 0.000 0.220 129 G HA3 0.396 4.354 3.960 -0.002 0.000 0.220 129 G C 0.886 175.734 174.900 -0.087 0.000 0.853 129 G CA 0.406 45.441 45.100 -0.109 0.000 0.920 129 G HN 1.828 nan 8.290 nan 0.000 0.715 130 G N 0.577 109.355 108.800 -0.036 0.000 2.752 130 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.234 130 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.234 130 G C 0.707 175.605 174.900 -0.003 0.000 1.367 130 G CA 0.883 45.982 45.100 -0.001 0.000 0.879 130 G HN 1.056 nan 8.290 nan 0.000 0.563 131 E N -0.415 119.793 120.200 0.013 0.000 2.077 131 E HA -0.177 4.172 4.350 -0.002 0.000 0.193 131 E C 2.110 178.714 176.600 0.007 0.000 0.989 131 E CA 1.743 58.150 56.400 0.011 0.000 0.800 131 E CB -0.184 29.526 29.700 0.018 0.000 0.746 131 E HN 0.651 nan 8.360 nan 0.000 0.452 132 E N -0.481 119.725 120.200 0.009 0.000 2.107 132 E HA -0.109 4.239 4.350 -0.002 0.000 0.191 132 E C 2.025 178.615 176.600 -0.016 0.000 0.982 132 E CA 1.021 57.424 56.400 0.005 0.000 0.809 132 E CB -0.234 29.480 29.700 0.023 0.000 0.756 132 E HN 0.395 nan 8.360 nan 0.000 0.459 133 G N 0.631 109.403 108.800 -0.046 0.000 2.403 133 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.216 133 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.216 133 G C 1.633 176.517 174.900 -0.026 0.000 1.154 133 G CA 0.724 45.792 45.100 -0.053 0.000 0.784 133 G HN 0.380 nan 8.290 nan 0.000 0.538 134 A N 0.435 123.244 122.820 -0.018 0.000 1.940 134 A HA 0.035 4.353 4.320 -0.002 0.000 0.219 134 A C 2.330 179.915 177.584 0.003 0.000 1.176 134 A CA 1.674 53.707 52.037 -0.006 0.000 0.631 134 A CB -0.378 18.621 19.000 -0.001 0.000 0.814 134 A HN 0.423 nan 8.150 nan 0.000 0.446 135 L N -1.064 120.162 121.223 0.005 0.000 2.044 135 L HA -0.027 4.312 4.340 -0.002 0.000 0.205 135 L C 1.874 178.753 176.870 0.015 0.000 1.075 135 L CA 1.959 56.806 54.840 0.012 0.000 0.747 135 L CB -0.186 41.882 42.059 0.014 0.000 0.903 135 L HN 0.134 nan 8.230 nan 0.000 0.435 136 K N -0.469 119.937 120.400 0.010 0.000 2.334 136 K HA 0.451 4.770 4.320 -0.002 0.000 0.195 136 K C 0.408 177.016 176.600 0.013 0.000 1.045 136 K CA 0.765 57.060 56.287 0.013 0.000 1.004 136 K CB 0.517 33.024 32.500 0.011 0.000 0.837 136 K HN 0.321 nan 8.250 nan 0.000 0.510 137 G N 3.331 112.134 108.800 0.005 0.000 1.968 137 G HA2 0.050 4.008 3.960 -0.002 0.000 0.183 137 G HA3 0.050 4.008 3.960 -0.002 0.000 0.183 137 G C -3.362 171.536 174.900 -0.004 0.000 1.665 137 G CA -0.784 44.321 45.100 0.008 0.000 1.015 137 G HN -0.220 nan 8.290 nan 0.000 0.624 138 P HA 0.640 nan 4.420 nan 0.000 0.286 138 P C 0.015 177.319 177.300 0.007 0.000 1.292 138 P CA -0.433 62.658 63.100 -0.015 0.000 0.842 138 P CB 1.744 33.432 31.700 -0.020 0.000 1.207 139 S N -0.140 115.567 115.700 0.011 0.000 2.565 139 S HA 0.452 4.920 4.470 -0.002 0.000 0.274 139 S C 0.296 174.916 174.600 0.034 0.000 1.309 139 S CA -0.316 57.920 58.200 0.060 0.000 1.043 139 S CB -0.342 62.951 63.200 0.154 0.000 0.939 139 S HN 0.225 nan 8.310 nan 0.000 0.504 140 I N 3.068 123.657 120.570 0.033 0.000 2.499 140 I HA 0.342 4.510 4.170 -0.002 0.000 0.288 140 I C -1.047 175.065 176.117 -0.008 0.000 1.048 140 I CA -0.437 60.869 61.300 0.011 0.000 1.062 140 I CB 1.707 39.716 38.000 0.014 0.000 1.238 140 I HN 0.455 nan 8.210 nan 0.000 0.426 141 M N 8.435 128.011 119.600 -0.041 0.000 1.987 141 M HA 0.360 4.838 4.480 -0.002 0.000 0.298 141 M C -2.758 173.434 176.300 -0.180 0.000 0.892 141 M CA -1.436 53.799 55.300 -0.108 0.000 0.885 141 M CB 1.346 33.898 32.600 -0.080 0.000 1.469 141 M HN 0.153 nan 8.290 nan 0.000 0.389 142 P HA 0.526 nan 4.420 nan 0.000 0.294 142 P C -0.467 176.655 177.300 -0.296 0.000 1.294 142 P CA -0.127 62.867 63.100 -0.176 0.000 0.827 142 P CB 1.949 33.689 31.700 0.066 0.000 0.992 143 G N 0.495 109.104 108.800 -0.318 0.000 2.533 143 G HA2 0.782 4.741 3.960 -0.002 0.000 0.304 143 G HA3 0.782 4.741 3.960 -0.002 0.000 0.304 143 G C -0.589 174.229 174.900 -0.137 0.000 1.263 143 G CA -0.773 44.123 45.100 -0.341 0.000 0.964 143 G HN 0.783 nan 8.290 nan 0.000 0.479 144 G N -0.723 108.081 108.800 0.006 0.000 2.340 144 G HA2 0.344 4.302 3.960 -0.002 0.000 0.282 144 G HA3 0.344 4.302 3.960 -0.002 0.000 0.282 144 G C -1.078 173.969 174.900 0.245 0.000 1.312 144 G CA -0.904 44.272 45.100 0.127 0.000 0.942 144 G HN 0.762 nan 8.290 nan 0.000 0.495 145 Q N -0.181 119.736 119.800 0.195 0.000 2.364 145 Q HA 0.458 4.796 4.340 -0.002 0.000 0.267 145 Q C 1.460 177.507 176.000 0.079 0.000 0.999 145 Q CA 0.106 55.999 55.803 0.151 0.000 0.886 145 Q CB 1.356 30.157 28.738 0.106 0.000 1.243 145 Q HN 0.615 nan 8.270 nan 0.000 0.415 146 K N 1.845 122.188 120.400 -0.094 0.000 2.152 146 K HA -0.217 4.102 4.320 -0.002 0.000 0.206 146 K C 0.858 177.376 176.600 -0.137 0.000 1.048 146 K CA 1.708 57.757 56.287 -0.396 0.000 0.933 146 K CB 0.218 32.418 32.500 -0.500 0.000 0.721 146 K HN 0.607 nan 8.250 nan 0.000 0.447 147 E N -0.232 119.935 120.200 -0.054 0.000 2.110 147 E HA -0.128 4.221 4.350 -0.002 0.000 0.193 147 E C 1.879 178.477 176.600 -0.003 0.000 0.988 147 E CA 1.338 57.724 56.400 -0.024 0.000 0.804 147 E CB -0.292 29.404 29.700 -0.006 0.000 0.745 147 E HN 0.421 nan 8.360 nan 0.000 0.458 148 A N 0.321 123.160 122.820 0.032 0.000 1.898 148 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 148 A C 2.117 179.719 177.584 0.030 0.000 1.181 148 A CA 1.392 53.455 52.037 0.043 0.000 0.620 148 A CB -0.811 18.238 19.000 0.081 0.000 0.819 148 A HN 0.417 nan 8.150 nan 0.000 0.442 149 Y N 0.931 121.198 120.300 -0.055 0.000 2.181 149 Y HA -0.181 4.368 4.550 -0.002 0.000 0.288 149 Y C 2.157 178.017 175.900 -0.068 0.000 1.146 149 Y CA 2.101 60.173 58.100 -0.047 0.000 1.164 149 Y CB -0.091 38.347 38.460 -0.037 0.000 0.982 149 Y HN 0.302 nan 8.280 nan 0.000 0.515 150 E N 0.540 120.648 120.200 -0.153 0.000 2.204 150 E HA -0.168 4.181 4.350 -0.002 0.000 0.195 150 E C 2.243 178.718 176.600 -0.209 0.000 0.990 150 E CA 1.169 57.436 56.400 -0.221 0.000 0.821 150 E CB -0.430 29.221 29.700 -0.082 0.000 0.750 150 E HN 0.582 nan 8.360 nan 0.000 0.477 151 L N 0.307 121.441 121.223 -0.147 0.000 2.201 151 L HA -0.097 4.242 4.340 -0.002 0.000 0.212 151 L C 2.192 178.976 176.870 -0.144 0.000 1.105 151 L CA 0.838 55.612 54.840 -0.110 0.000 0.775 151 L CB -0.157 41.867 42.059 -0.059 0.000 0.913 151 L HN 0.054 nan 8.230 nan 0.000 0.440 152 V N -5.499 114.285 119.914 -0.217 0.000 3.605 152 V HA 0.348 4.466 4.120 -0.002 0.000 0.284 152 V C 2.208 178.125 176.094 -0.296 0.000 1.386 152 V CA 0.530 62.701 62.300 -0.214 0.000 1.053 152 V CB 0.002 31.725 31.823 -0.168 0.000 0.857 152 V HN 0.143 nan 8.190 nan 0.000 0.436 153 A N 1.497 124.025 122.820 -0.487 0.000 1.940 153 A HA 0.003 4.322 4.320 -0.002 0.000 0.219 153 A C 0.567 178.027 177.584 -0.207 0.000 1.176 153 A CA 2.270 54.002 52.037 -0.510 0.000 0.631 153 A CB -1.734 16.839 19.000 -0.711 0.000 0.814 153 A HN 0.604 nan 8.150 nan 0.000 0.446 154 P HA -0.129 nan 4.420 nan 0.000 0.216 154 P C 1.665 178.965 177.300 -0.000 0.000 1.153 154 P CA 0.936 64.009 63.100 -0.044 0.000 0.848 154 P CB -0.049 31.641 31.700 -0.016 0.000 0.787 155 I N -1.313 119.232 120.570 -0.041 0.000 2.406 155 I HA -0.150 4.019 4.170 -0.002 0.000 0.249 155 I C 1.858 177.943 176.117 -0.054 0.000 1.122 155 I CA 1.082 62.348 61.300 -0.057 0.000 1.431 155 I CB -0.220 37.630 38.000 -0.248 0.000 1.087 155 I HN -0.169 nan 8.210 nan 0.000 0.424 156 L N 0.252 121.429 121.223 -0.077 0.000 2.131 156 L HA -0.199 4.139 4.340 -0.002 0.000 0.210 156 L C 2.439 179.308 176.870 -0.002 0.000 1.092 156 L CA 1.609 56.424 54.840 -0.042 0.000 0.759 156 L CB -1.032 41.003 42.059 -0.040 0.000 0.903 156 L HN 0.252 nan 8.230 nan 0.000 0.435 157 T N -0.797 113.758 114.554 0.002 0.000 2.821 157 T HA -0.115 4.234 4.350 -0.002 0.000 0.267 157 T C 1.952 176.676 174.700 0.040 0.000 1.046 157 T CA 0.819 62.935 62.100 0.026 0.000 1.139 157 T CB -0.008 68.873 68.868 0.021 0.000 0.871 157 T HN 0.194 nan 8.240 nan 0.000 0.454 158 K N 1.312 121.747 120.400 0.059 0.000 2.097 158 K HA -0.014 4.305 4.320 -0.002 0.000 0.206 158 K C 2.204 178.852 176.600 0.079 0.000 1.049 158 K CA 1.108 57.451 56.287 0.093 0.000 0.933 158 K CB -0.349 32.272 32.500 0.201 0.000 0.717 158 K HN 0.572 nan 8.250 nan 0.000 0.442 159 I N -2.481 118.124 120.570 0.058 0.000 3.860 159 I HA 0.196 4.365 4.170 -0.002 0.000 0.319 159 I C 0.835 176.970 176.117 0.029 0.000 1.279 159 I CA -0.323 61.003 61.300 0.043 0.000 1.220 159 I CB 0.089 38.103 38.000 0.024 0.000 1.027 159 I HN -0.243 nan 8.210 nan 0.000 0.428 160 A N 1.909 124.746 122.820 0.029 0.000 2.332 160 A HA 0.732 5.050 4.320 -0.002 0.000 0.258 160 A C 0.757 178.358 177.584 0.029 0.000 1.087 160 A CA 0.060 52.113 52.037 0.027 0.000 0.802 160 A CB 0.210 19.229 19.000 0.032 0.000 1.042 160 A HN 0.489 nan 8.150 nan 0.000 0.489 161 A N 0.306 123.142 122.820 0.027 0.000 2.429 161 A HA 0.497 4.816 4.320 -0.002 0.000 0.242 161 A C -0.015 177.590 177.584 0.036 0.000 1.088 161 A CA 0.096 52.150 52.037 0.029 0.000 0.784 161 A CB -0.081 18.936 19.000 0.029 0.000 1.038 161 A HN 1.308 nan 8.150 nan 0.000 0.501 162 V N 0.391 120.327 119.914 0.036 0.000 2.656 162 V HA 0.609 4.728 4.120 -0.002 0.000 0.307 162 V C 0.628 176.746 176.094 0.041 0.000 1.051 162 V CA -0.352 61.970 62.300 0.037 0.000 0.893 162 V CB 1.201 33.043 31.823 0.032 0.000 0.999 162 V HN 1.312 nan 8.190 nan 0.000 0.426 163 A N 2.438 125.285 122.820 0.044 0.000 2.346 163 A HA 0.389 4.707 4.320 -0.002 0.000 0.252 163 A C 1.008 178.616 177.584 0.040 0.000 1.089 163 A CA -0.108 51.958 52.037 0.048 0.000 0.797 163 A CB 0.111 19.140 19.000 0.049 0.000 1.047 163 A HN 0.956 nan 8.150 nan 0.000 0.494 164 E N -0.051 120.174 120.200 0.041 0.000 2.265 164 E HA -0.187 4.162 4.350 -0.002 0.000 0.196 164 E C 0.361 176.978 176.600 0.027 0.000 0.996 164 E CA 1.235 57.655 56.400 0.034 0.000 0.832 164 E CB -0.033 29.689 29.700 0.037 0.000 0.756 164 E HN 0.809 nan 8.360 nan 0.000 0.491 165 D N -0.960 119.455 120.400 0.026 0.000 2.328 165 D HA 0.025 4.664 4.640 -0.002 0.000 0.226 165 D C 1.213 177.524 176.300 0.019 0.000 1.066 165 D CA 0.660 54.672 54.000 0.020 0.000 0.861 165 D CB 0.220 41.029 40.800 0.016 0.000 0.912 165 D HN 0.173 nan 8.370 nan 0.000 0.521 166 G N -0.202 108.612 108.800 0.023 0.000 2.176 166 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.253 166 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.253 166 G C -0.045 174.869 174.900 0.023 0.000 0.979 166 G CA -0.064 45.049 45.100 0.022 0.000 0.641 166 G HN 0.413 nan 8.290 nan 0.000 0.530 167 E N 1.554 121.769 120.200 0.025 0.000 2.259 167 E HA 0.334 4.682 4.350 -0.002 0.000 0.281 167 E C -2.428 174.190 176.600 0.030 0.000 1.037 167 E CA -1.718 54.698 56.400 0.026 0.000 0.854 167 E CB 1.206 30.920 29.700 0.022 0.000 1.051 167 E HN 0.160 nan 8.360 nan 0.000 0.409 168 P HA -0.000 nan 4.420 nan 0.000 0.268 168 P C -0.285 177.037 177.300 0.037 0.000 1.205 168 P CA -0.104 63.018 63.100 0.036 0.000 0.771 168 P CB 0.502 32.226 31.700 0.041 0.000 0.858 169 C N 3.630 122.954 119.300 0.040 0.000 2.554 169 C HA 0.358 4.817 4.460 -0.002 0.000 0.434 169 C C 0.569 175.579 174.990 0.034 0.000 1.316 169 C CA 0.008 59.051 59.018 0.042 0.000 1.671 169 C CB -1.790 25.989 27.740 0.065 0.000 2.172 169 C HN 0.342 nan 8.230 nan 0.000 0.601 170 V N 0.250 120.185 119.914 0.034 0.000 2.932 170 V HA 0.855 4.974 4.120 -0.002 0.000 0.307 170 V C -0.679 175.449 176.094 0.057 0.000 1.147 170 V CA 0.254 62.581 62.300 0.046 0.000 0.951 170 V CB 2.588 34.459 31.823 0.080 0.000 1.031 170 V HN 0.390 nan 8.190 nan 0.000 0.426 171 T N 4.137 118.701 114.554 0.017 0.000 2.830 171 T HA 0.368 4.717 4.350 -0.002 0.000 0.322 171 T C -1.899 172.661 174.700 -0.233 0.000 1.501 171 T CA -0.345 61.737 62.100 -0.030 0.000 1.036 171 T CB 1.233 70.058 68.868 -0.073 0.000 1.379 171 T HN 0.951 nan 8.240 nan 0.000 0.493 172 Y N 5.072 124.961 120.300 -0.685 0.000 2.569 172 Y HA 0.262 4.811 4.550 -0.002 0.000 0.332 172 Y C 1.082 176.691 175.900 -0.486 0.000 1.120 172 Y CA -0.476 57.061 58.100 -0.939 0.000 1.416 172 Y CB 0.080 37.892 38.460 -1.079 0.000 1.210 172 Y HN 0.547 nan 8.280 nan 0.000 0.528 173 I N 4.522 124.549 120.570 -0.905 0.000 2.339 173 I HA 0.172 4.341 4.170 -0.002 0.000 0.245 173 I C 1.333 176.895 176.117 -0.925 0.000 1.096 173 I CA 1.525 62.377 61.300 -0.746 0.000 1.408 173 I CB -1.161 36.487 38.000 -0.586 0.000 1.092 173 I HN 0.795 nan 8.210 nan 0.000 0.423 174 G N -0.584 107.398 108.800 -1.363 0.000 2.327 174 G HA2 0.463 4.421 3.960 -0.002 0.000 0.291 174 G HA3 0.463 4.421 3.960 -0.002 0.000 0.291 174 G C -1.294 173.217 174.900 -0.649 0.000 1.290 174 G CA -0.224 44.324 45.100 -0.920 0.000 0.857 174 G HN 0.325 nan 8.290 nan 0.000 0.520 175 A N -0.327 122.385 122.820 -0.180 0.000 2.366 175 A HA 0.623 4.942 4.320 -0.002 0.000 0.249 175 A C 1.224 178.814 177.584 0.010 0.000 1.084 175 A CA 1.400 53.477 52.037 0.066 0.000 0.794 175 A CB -0.456 18.698 19.000 0.256 0.000 1.034 175 A HN 2.455 nan 8.150 nan 0.000 0.491 176 D N 0.114 120.589 120.400 0.125 0.000 3.910 176 D HA -0.313 4.326 4.640 -0.002 0.000 0.153 176 D C 1.059 177.403 176.300 0.073 0.000 0.802 176 D CA 2.156 56.260 54.000 0.173 0.000 1.009 176 D CB -1.352 39.613 40.800 0.274 0.000 0.453 176 D HN 1.022 nan 8.370 nan 0.000 0.422 177 G N -0.584 108.320 108.800 0.174 0.000 3.026 177 G HA2 0.348 4.306 3.960 -0.002 0.000 0.208 177 G HA3 0.348 4.306 3.960 -0.002 0.000 0.208 177 G C 1.368 176.062 174.900 -0.344 0.000 1.169 177 G CA 0.900 46.068 45.100 0.112 0.000 0.788 177 G HN 0.812 nan 8.290 nan 0.000 0.533 178 A N 0.934 123.146 122.820 -1.013 0.000 1.908 178 A HA 0.091 4.409 4.320 -0.002 0.000 0.218 178 A C 2.624 179.725 177.584 -0.805 0.000 1.181 178 A CA 2.042 53.042 52.037 -1.727 0.000 0.627 178 A CB -0.804 17.109 19.000 -1.812 0.000 0.818 178 A HN 0.445 nan 8.150 nan 0.000 0.445 179 G N -1.524 106.939 108.800 -0.561 0.000 2.421 179 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.216 179 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.216 179 G C 1.506 176.266 174.900 -0.233 0.000 1.171 179 G CA 1.091 45.954 45.100 -0.396 0.000 0.775 179 G HN 0.634 nan 8.290 nan 0.000 0.543 180 H N -1.353 117.643 119.070 -0.124 0.000 2.457 180 H HA -0.019 4.536 4.556 -0.002 0.000 0.294 180 H C 2.018 177.327 175.328 -0.032 0.000 1.064 180 H CA 0.898 56.934 56.048 -0.020 0.000 1.330 180 H CB -0.227 29.562 29.762 0.046 0.000 1.395 180 H HN 0.512 nan 8.280 nan 0.000 0.541 181 Y N 0.780 121.000 120.300 -0.133 0.000 2.200 181 Y HA -0.178 4.371 4.550 -0.002 0.000 0.290 181 Y C 2.441 178.257 175.900 -0.140 0.000 1.137 181 Y CA 0.933 58.880 58.100 -0.256 0.000 1.163 181 Y CB -0.160 37.988 38.460 -0.521 0.000 0.988 181 Y HN -0.115 nan 8.280 nan 0.000 0.518 182 V N 0.563 120.480 119.914 0.003 0.000 2.358 182 V HA -0.281 3.838 4.120 -0.002 0.000 0.246 182 V C 2.287 178.448 176.094 0.111 0.000 1.047 182 V CA 2.194 64.524 62.300 0.049 0.000 1.035 182 V CB -0.611 31.192 31.823 -0.034 0.000 0.658 182 V HN 0.262 nan 8.190 nan 0.000 0.452 183 K N 0.440 120.898 120.400 0.096 0.000 2.097 183 K HA -0.178 4.140 4.320 -0.002 0.000 0.206 183 K C 2.126 178.790 176.600 0.107 0.000 1.049 183 K CA 1.938 58.305 56.287 0.134 0.000 0.933 183 K CB -0.476 32.117 32.500 0.154 0.000 0.717 183 K HN 0.432 nan 8.250 nan 0.000 0.442 184 M N -0.267 119.359 119.600 0.042 0.000 2.086 184 M HA -0.157 4.321 4.480 -0.002 0.000 0.261 184 M C 1.603 177.842 176.300 -0.103 0.000 1.067 184 M CA 1.717 57.020 55.300 0.004 0.000 1.116 184 M CB -0.015 32.559 32.600 -0.043 0.000 1.348 184 M HN 0.050 nan 8.290 nan 0.000 0.407 185 V N 0.090 119.907 119.914 -0.162 0.000 2.427 185 V HA -0.291 3.828 4.120 -0.002 0.000 0.248 185 V C 2.318 178.334 176.094 -0.130 0.000 1.051 185 V CA 2.377 64.584 62.300 -0.156 0.000 1.048 185 V CB -1.259 30.493 31.823 -0.118 0.000 0.666 185 V HN 0.673 nan 8.190 nan 0.000 0.456 186 H N 0.935 119.928 119.070 -0.129 0.000 2.319 186 H HA -0.188 4.367 4.556 -0.002 0.000 0.299 186 H C 2.199 177.403 175.328 -0.206 0.000 1.092 186 H CA 2.354 58.241 56.048 -0.268 0.000 1.302 186 H CB -0.018 29.515 29.762 -0.382 0.000 1.373 186 H HN 0.368 nan 8.280 nan 0.000 0.497 187 N N -0.145 118.528 118.700 -0.045 0.000 2.188 187 N HA -0.069 4.669 4.740 -0.002 0.000 0.184 187 N C 2.142 177.518 175.510 -0.223 0.000 1.018 187 N CA 1.145 54.157 53.050 -0.064 0.000 0.858 187 N CB -0.826 37.653 38.487 -0.013 0.000 0.989 187 N HN 0.578 nan 8.380 nan 0.000 0.426 188 G N 1.003 109.629 108.800 -0.291 0.000 2.418 188 G HA2 -0.161 3.797 3.960 -0.002 0.000 0.217 188 G HA3 -0.161 3.797 3.960 -0.002 0.000 0.217 188 G C 1.595 176.352 174.900 -0.237 0.000 1.158 188 G CA 0.383 45.283 45.100 -0.333 0.000 0.771 188 G HN 0.271 nan 8.290 nan 0.000 0.545 189 I N 0.551 120.939 120.570 -0.303 0.000 2.286 189 I HA -0.161 4.008 4.170 -0.002 0.000 0.248 189 I C 2.668 178.634 176.117 -0.251 0.000 1.115 189 I CA 1.469 62.550 61.300 -0.365 0.000 1.392 189 I CB -0.194 37.457 38.000 -0.582 0.000 1.065 189 I HN 0.332 nan 8.210 nan 0.000 0.418 190 E N 0.632 120.669 120.200 -0.271 0.000 2.077 190 E HA -0.264 4.085 4.350 -0.002 0.000 0.193 190 E C 2.258 178.893 176.600 0.059 0.000 0.989 190 E CA 1.514 57.843 56.400 -0.118 0.000 0.800 190 E CB -0.111 29.512 29.700 -0.128 0.000 0.746 190 E HN 0.413 nan 8.360 nan 0.000 0.452 191 Y N 0.278 120.494 120.300 -0.140 0.000 2.181 191 Y HA -0.074 4.475 4.550 -0.002 0.000 0.288 191 Y C 2.463 178.317 175.900 -0.078 0.000 1.146 191 Y CA 1.455 59.493 58.100 -0.103 0.000 1.164 191 Y CB -0.919 37.464 38.460 -0.129 0.000 0.982 191 Y HN 0.190 nan 8.280 nan 0.000 0.515 192 G N -0.722 108.127 108.800 0.081 0.000 2.408 192 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.217 192 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.217 192 G C 1.343 176.286 174.900 0.071 0.000 1.150 192 G CA 1.083 46.210 45.100 0.045 0.000 0.776 192 G HN 0.266 nan 8.290 nan 0.000 0.542 193 D N 0.379 120.819 120.400 0.067 0.000 2.144 193 D HA -0.031 4.607 4.640 -0.002 0.000 0.200 193 D C 2.586 178.942 176.300 0.093 0.000 0.978 193 D CA 0.719 54.783 54.000 0.107 0.000 0.833 193 D CB -0.173 40.699 40.800 0.121 0.000 0.961 193 D HN 0.305 nan 8.370 nan 0.000 0.470 194 M N -0.156 119.473 119.600 0.048 0.000 2.200 194 M HA -0.146 4.332 4.480 -0.002 0.000 0.265 194 M C 2.129 178.450 176.300 0.035 0.000 1.066 194 M CA 0.997 56.307 55.300 0.016 0.000 1.127 194 M CB 0.004 32.572 32.600 -0.053 0.000 1.379 194 M HN -0.135 nan 8.290 nan 0.000 0.420 195 Q N 1.033 120.855 119.800 0.035 0.000 2.119 195 Q HA -0.052 4.287 4.340 -0.002 0.000 0.201 195 Q C 1.710 177.756 176.000 0.076 0.000 0.972 195 Q CA 1.615 57.442 55.803 0.040 0.000 0.847 195 Q CB -0.378 28.379 28.738 0.032 0.000 0.903 195 Q HN 0.519 nan 8.270 nan 0.000 0.433 196 L N -0.429 120.879 121.223 0.141 0.000 2.017 196 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 196 L C 2.318 179.355 176.870 0.277 0.000 1.073 196 L CA 1.159 56.157 54.840 0.263 0.000 0.745 196 L CB -0.416 41.831 42.059 0.312 0.000 0.894 196 L HN 0.264 nan 8.230 nan 0.000 0.432 197 I N -0.303 120.418 120.570 0.251 0.000 2.286 197 I HA -0.297 3.871 4.170 -0.002 0.000 0.248 197 I C 2.748 179.057 176.117 0.321 0.000 1.115 197 I CA 1.138 62.634 61.300 0.327 0.000 1.392 197 I CB -0.429 37.692 38.000 0.202 0.000 1.065 197 I HN 0.216 nan 8.210 nan 0.000 0.418 198 A N 0.309 123.251 122.820 0.204 0.000 1.933 198 A HA -0.227 4.092 4.320 -0.002 0.000 0.218 198 A C 2.205 179.888 177.584 0.165 0.000 1.175 198 A CA 1.675 53.853 52.037 0.235 0.000 0.628 198 A CB -0.520 18.557 19.000 0.128 0.000 0.814 198 A HN 0.450 nan 8.150 nan 0.000 0.444 199 E N -0.384 119.811 120.200 -0.008 0.000 2.106 199 E HA -0.056 4.292 4.350 -0.002 0.000 0.192 199 E C 2.311 178.826 176.600 -0.142 0.000 0.984 199 E CA 0.784 57.032 56.400 -0.253 0.000 0.806 199 E CB -0.249 29.005 29.700 -0.744 0.000 0.750 199 E HN 0.625 nan 8.360 nan 0.000 0.458 200 A N 0.996 123.888 122.820 0.121 0.000 1.902 200 A HA -0.219 4.100 4.320 -0.002 0.000 0.217 200 A C 2.058 179.874 177.584 0.387 0.000 1.181 200 A CA 1.387 53.647 52.037 0.372 0.000 0.623 200 A CB -0.713 18.670 19.000 0.639 0.000 0.818 200 A HN 0.414 nan 8.150 nan 0.000 0.443 201 Y N 1.411 121.898 120.300 0.312 0.000 2.145 201 Y HA -0.169 4.379 4.550 -0.002 0.000 0.286 201 Y C 2.577 178.560 175.900 0.139 0.000 1.145 201 Y CA 1.479 59.734 58.100 0.257 0.000 1.148 201 Y CB -0.911 37.753 38.460 0.339 0.000 0.981 201 Y HN 0.273 nan 8.280 nan 0.000 0.507 202 S N 0.622 116.291 115.700 -0.051 0.000 2.383 202 S HA -0.195 4.274 4.470 -0.002 0.000 0.229 202 S C 2.140 176.732 174.600 -0.014 0.000 1.030 202 S CA 1.678 59.771 58.200 -0.178 0.000 1.002 202 S CB -0.580 62.545 63.200 -0.125 0.000 0.829 202 S HN 0.488 nan 8.310 nan 0.000 0.467 203 L N 0.616 121.898 121.223 0.098 0.000 2.072 203 L HA -0.023 4.316 4.340 -0.002 0.000 0.205 203 L C 2.173 179.229 176.870 0.309 0.000 1.079 203 L CA 0.929 55.916 54.840 0.246 0.000 0.752 203 L CB -0.397 41.813 42.059 0.252 0.000 0.906 203 L HN 0.282 nan 8.230 nan 0.000 0.436 204 L N -0.373 120.989 121.223 0.232 0.000 2.056 204 L HA -0.211 4.128 4.340 -0.002 0.000 0.207 204 L C 2.622 179.515 176.870 0.037 0.000 1.078 204 L CA 1.277 56.211 54.840 0.157 0.000 0.749 204 L CB -0.403 41.677 42.059 0.036 0.000 0.901 204 L HN 0.226 nan 8.230 nan 0.000 0.433 205 K N 0.107 120.519 120.400 0.021 0.000 2.062 205 K HA -0.084 4.235 4.320 -0.002 0.000 0.205 205 K C 2.039 178.616 176.600 -0.038 0.000 1.051 205 K CA 1.221 57.489 56.287 -0.031 0.000 0.941 205 K CB -0.179 32.272 32.500 -0.081 0.000 0.719 205 K HN 0.262 nan 8.250 nan 0.000 0.440 206 G N -0.378 108.414 108.800 -0.013 0.000 2.403 206 G HA2 -0.123 3.835 3.960 -0.002 0.000 0.216 206 G HA3 -0.123 3.835 3.960 -0.002 0.000 0.216 206 G C 1.435 176.362 174.900 0.045 0.000 1.154 206 G CA 0.676 45.784 45.100 0.014 0.000 0.784 206 G HN 0.461 nan 8.290 nan 0.000 0.538 207 G N 0.252 109.090 108.800 0.063 0.000 2.426 207 G HA2 0.093 4.052 3.960 -0.002 0.000 0.214 207 G HA3 0.093 4.052 3.960 -0.002 0.000 0.214 207 G C 1.487 176.162 174.900 -0.374 0.000 1.156 207 G CA 0.276 45.313 45.100 -0.105 0.000 0.802 207 G HN 0.388 nan 8.290 nan 0.000 0.534 208 L N -0.270 120.761 121.223 -0.319 0.000 2.858 208 L HA 0.252 4.590 4.340 -0.002 0.000 0.251 208 L C 0.320 177.096 176.870 -0.157 0.000 1.149 208 L CA -0.193 54.474 54.840 -0.288 0.000 0.955 208 L CB 0.126 42.016 42.059 -0.283 0.000 1.289 208 L HN 0.084 nan 8.230 nan 0.000 0.542 209 N N 1.272 119.906 118.700 -0.111 0.000 2.721 209 N HA -0.175 4.564 4.740 -0.002 0.000 0.249 209 N C -0.074 175.388 175.510 -0.081 0.000 1.072 209 N CA 0.670 53.673 53.050 -0.078 0.000 0.710 209 N CB -1.469 36.977 38.487 -0.067 0.000 0.993 209 N HN 0.336 nan 8.380 nan 0.000 0.547 210 L N 0.732 121.899 121.223 -0.093 0.000 2.461 210 L HA 0.080 4.418 4.340 -0.002 0.000 0.272 210 L C 1.761 178.569 176.870 -0.103 0.000 1.197 210 L CA 0.207 54.981 54.840 -0.109 0.000 0.836 210 L CB 0.302 42.273 42.059 -0.146 0.000 1.105 210 L HN 0.226 nan 8.230 nan 0.000 0.477 211 T N -1.499 112.989 114.554 -0.111 0.000 2.788 211 T HA 0.103 4.452 4.350 -0.002 0.000 0.287 211 T C 1.078 175.664 174.700 -0.190 0.000 1.007 211 T CA -0.762 61.265 62.100 -0.123 0.000 1.005 211 T CB 0.730 69.540 68.868 -0.096 0.000 1.012 211 T HN 0.475 nan 8.240 nan 0.000 0.530 212 N N 0.390 118.927 118.700 -0.271 0.000 2.166 212 N HA -0.100 4.639 4.740 -0.002 0.000 0.186 212 N C 1.711 177.099 175.510 -0.204 0.000 1.019 212 N CA 1.075 53.944 53.050 -0.300 0.000 0.856 212 N CB -0.530 37.564 38.487 -0.655 0.000 0.993 212 N HN 0.738 nan 8.380 nan 0.000 0.426 213 E N 1.243 121.353 120.200 -0.150 0.000 2.106 213 E HA -0.091 4.258 4.350 -0.002 0.000 0.192 213 E C 1.521 178.071 176.600 -0.084 0.000 0.984 213 E CA 1.053 57.431 56.400 -0.038 0.000 0.806 213 E CB 0.002 29.714 29.700 0.020 0.000 0.750 213 E HN 0.433 nan 8.360 nan 0.000 0.458 214 E N -0.395 119.728 120.200 -0.128 0.000 2.152 214 E HA -0.110 4.239 4.350 -0.002 0.000 0.192 214 E C 2.104 178.559 176.600 -0.242 0.000 0.983 214 E CA 0.644 56.950 56.400 -0.157 0.000 0.818 214 E CB -0.036 29.576 29.700 -0.147 0.000 0.758 214 E HN 0.264 nan 8.360 nan 0.000 0.467 215 L N 0.586 121.621 121.223 -0.314 0.000 2.056 215 L HA -0.165 4.174 4.340 -0.002 0.000 0.207 215 L C 2.584 179.280 176.870 -0.290 0.000 1.078 215 L CA 1.044 55.599 54.840 -0.475 0.000 0.749 215 L CB -0.424 41.068 42.059 -0.944 0.000 0.901 215 L HN 0.142 nan 8.230 nan 0.000 0.433 216 A N -1.017 121.714 122.820 -0.148 0.000 1.933 216 A HA -0.229 4.090 4.320 -0.002 0.000 0.218 216 A C 2.270 179.839 177.584 -0.026 0.000 1.175 216 A CA 1.342 53.398 52.037 0.032 0.000 0.628 216 A CB -0.404 18.650 19.000 0.090 0.000 0.814 216 A HN 0.360 nan 8.150 nan 0.000 0.444 217 Q N -0.513 119.230 119.800 -0.095 0.000 2.119 217 Q HA -0.110 4.229 4.340 -0.002 0.000 0.201 217 Q C 2.206 178.082 176.000 -0.207 0.000 0.972 217 Q CA 2.020 57.758 55.803 -0.108 0.000 0.847 217 Q CB -0.756 27.921 28.738 -0.102 0.000 0.903 217 Q HN 0.683 nan 8.270 nan 0.000 0.433 218 T N 0.441 114.771 114.554 -0.373 0.000 2.737 218 T HA -0.089 4.260 4.350 -0.002 0.000 0.265 218 T C 1.535 175.679 174.700 -0.927 0.000 1.038 218 T CA 1.059 62.723 62.100 -0.727 0.000 1.144 218 T CB -0.344 67.945 68.868 -0.965 0.000 0.866 218 T HN 0.159 nan 8.240 nan 0.000 0.434 219 F N 1.694 121.297 119.950 -0.578 0.000 2.293 219 F HA -0.065 4.461 4.527 -0.002 0.000 0.300 219 F C 2.759 178.502 175.800 -0.096 0.000 1.086 219 F CA 0.802 58.614 58.000 -0.314 0.000 1.375 219 F CB -1.114 37.797 39.000 -0.149 0.000 1.045 219 F HN 0.110 nan 8.300 nan 0.000 0.516 220 T N -0.595 113.990 114.554 0.051 0.000 2.708 220 T HA -0.174 4.175 4.350 -0.002 0.000 0.266 220 T C 1.824 176.562 174.700 0.063 0.000 1.037 220 T CA 1.578 63.715 62.100 0.061 0.000 1.146 220 T CB -0.254 68.629 68.868 0.025 0.000 0.865 220 T HN 0.318 nan 8.240 nan 0.000 0.435 221 E N -0.111 120.091 120.200 0.002 0.000 2.077 221 E HA -0.137 4.211 4.350 -0.002 0.000 0.193 221 E C 2.102 178.833 176.600 0.218 0.000 0.989 221 E CA 1.026 57.464 56.400 0.063 0.000 0.800 221 E CB -0.113 29.592 29.700 0.009 0.000 0.746 221 E HN 0.537 nan 8.360 nan 0.000 0.452 222 W N 1.276 122.565 121.300 -0.018 0.000 2.363 222 W HA -0.108 4.551 4.660 -0.002 0.000 0.296 222 W C 2.026 178.562 176.519 0.029 0.000 1.212 222 W CA 0.750 58.087 57.345 -0.014 0.000 1.260 222 W CB -1.153 28.298 29.460 -0.015 0.000 1.131 222 W HN 0.129 nan 8.180 nan 0.000 0.530 223 N N 0.310 119.189 118.700 0.299 0.000 2.520 223 N HA -0.128 4.610 4.740 -0.002 0.000 0.185 223 N C 0.859 176.451 175.510 0.137 0.000 1.068 223 N CA 1.028 54.199 53.050 0.202 0.000 0.911 223 N CB -0.530 38.061 38.487 0.174 0.000 0.961 223 N HN 0.230 nan 8.380 nan 0.000 0.446 224 N N -1.372 117.402 118.700 0.124 0.000 2.336 224 N HA 0.126 4.864 4.740 -0.002 0.000 0.189 224 N C 0.632 176.180 175.510 0.064 0.000 1.113 224 N CA 0.070 53.170 53.050 0.084 0.000 0.858 224 N CB 0.538 39.068 38.487 0.071 0.000 0.970 224 N HN 0.136 nan 8.380 nan 0.000 0.471 225 G N 0.908 109.744 108.800 0.060 0.000 3.135 225 G HA2 0.031 3.989 3.960 -0.002 0.000 0.159 225 G HA3 0.031 3.989 3.960 -0.002 0.000 0.159 225 G C 0.525 175.413 174.900 -0.019 0.000 1.244 225 G CA -0.297 44.810 45.100 0.010 0.000 0.965 225 G HN 0.209 nan 8.290 nan 0.000 0.599 226 E N -0.314 119.819 120.200 -0.111 0.000 2.265 226 E HA -0.053 4.296 4.350 -0.002 0.000 0.196 226 E C 1.932 178.446 176.600 -0.144 0.000 0.996 226 E CA 0.679 56.981 56.400 -0.164 0.000 0.832 226 E CB -0.165 29.303 29.700 -0.386 0.000 0.756 226 E HN 0.305 nan 8.360 nan 0.000 0.491 227 L N 2.459 123.589 121.223 -0.154 0.000 2.610 227 L HA 0.018 4.357 4.340 -0.002 0.000 0.232 227 L C 0.782 177.722 176.870 0.117 0.000 1.149 227 L CA -0.000 54.843 54.840 0.006 0.000 0.872 227 L CB -0.158 41.898 42.059 -0.005 0.000 0.992 227 L HN 0.097 nan 8.230 nan 0.000 0.447 228 S N 0.262 116.031 115.700 0.115 0.000 2.575 228 S HA 0.205 4.674 4.470 -0.002 0.000 0.295 228 S C 0.217 174.918 174.600 0.168 0.000 1.267 228 S CA -0.187 58.099 58.200 0.143 0.000 1.074 228 S CB 0.380 63.651 63.200 0.119 0.000 0.829 228 S HN 0.348 nan 8.310 nan 0.000 0.497 229 S N 2.407 118.212 115.700 0.174 0.000 2.587 229 S HA 0.359 4.828 4.470 -0.002 0.000 0.269 229 S C -0.050 174.672 174.600 0.203 0.000 1.154 229 S CA -0.741 57.580 58.200 0.201 0.000 0.824 229 S CB 0.295 63.610 63.200 0.192 0.000 1.118 229 S HN 0.795 nan 8.310 nan 0.000 0.462 230 Y N 1.653 122.019 120.300 0.110 0.000 2.165 230 Y HA 0.017 4.566 4.550 -0.002 0.000 0.286 230 Y C 1.711 177.652 175.900 0.067 0.000 1.155 230 Y CA 1.932 60.084 58.100 0.086 0.000 1.164 230 Y CB -0.387 38.125 38.460 0.086 0.000 0.978 230 Y HN 0.679 nan 8.280 nan 0.000 0.513 231 L N -0.469 120.772 121.223 0.031 0.000 2.141 231 L HA -0.212 4.127 4.340 -0.002 0.000 0.209 231 L C 2.366 179.169 176.870 -0.112 0.000 1.094 231 L CA 1.256 56.035 54.840 -0.101 0.000 0.763 231 L CB -0.409 41.673 42.059 0.038 0.000 0.908 231 L HN 0.292 nan 8.230 nan 0.000 0.437 232 I N -0.539 120.038 120.570 0.013 0.000 2.500 232 I HA -0.236 3.932 4.170 -0.002 0.000 0.252 232 I C 2.100 178.217 176.117 -0.000 0.000 1.142 232 I CA 0.904 62.242 61.300 0.062 0.000 1.451 232 I CB -0.193 37.959 38.000 0.253 0.000 1.093 232 I HN 0.241 nan 8.210 nan 0.000 0.430 233 D N 1.490 121.876 120.400 -0.023 0.000 2.117 233 D HA -0.190 4.449 4.640 -0.002 0.000 0.197 233 D C 2.142 178.361 176.300 -0.135 0.000 0.987 233 D CA 1.403 55.382 54.000 -0.035 0.000 0.829 233 D CB -0.069 40.729 40.800 -0.003 0.000 0.961 233 D HN 0.492 nan 8.370 nan 0.000 0.460 234 I N -2.148 118.241 120.570 -0.302 0.000 2.546 234 I HA -0.108 4.061 4.170 -0.002 0.000 0.255 234 I C 1.765 177.732 176.117 -0.249 0.000 1.163 234 I CA 1.058 62.173 61.300 -0.308 0.000 1.457 234 I CB -0.640 37.081 38.000 -0.466 0.000 1.092 234 I HN -0.179 nan 8.210 nan 0.000 0.434 235 T N 2.448 116.838 114.554 -0.273 0.000 2.746 235 T HA -0.175 4.174 4.350 -0.002 0.000 0.267 235 T C 1.850 176.441 174.700 -0.180 0.000 1.039 235 T CA 2.104 63.998 62.100 -0.343 0.000 1.142 235 T CB -0.280 68.242 68.868 -0.576 0.000 0.866 235 T HN 0.600 nan 8.240 nan 0.000 0.444 236 K N 1.058 121.413 120.400 -0.075 0.000 2.147 236 K HA -0.155 4.163 4.320 -0.002 0.000 0.205 236 K C 1.372 178.000 176.600 0.046 0.000 1.049 236 K CA 1.780 58.109 56.287 0.071 0.000 0.936 236 K CB -0.152 32.404 32.500 0.092 0.000 0.722 236 K HN 0.156 nan 8.250 nan 0.000 0.446 237 D N 1.264 121.647 120.400 -0.027 0.000 2.137 237 D HA -0.026 4.612 4.640 -0.002 0.000 0.202 237 D C 2.067 178.335 176.300 -0.054 0.000 0.970 237 D CA 0.919 54.903 54.000 -0.028 0.000 0.837 237 D CB -0.114 40.654 40.800 -0.054 0.000 0.981 237 D HN 0.270 nan 8.370 nan 0.000 0.475 238 I N 0.147 120.627 120.570 -0.151 0.000 2.264 238 I HA -0.256 3.913 4.170 -0.002 0.000 0.248 238 I C 1.740 177.704 176.117 -0.256 0.000 1.111 238 I CA 0.774 61.922 61.300 -0.253 0.000 1.382 238 I CB -0.155 37.585 38.000 -0.432 0.000 1.060 238 I HN -0.113 nan 8.210 nan 0.000 0.418 239 F N 0.604 120.487 119.950 -0.112 0.000 2.699 239 F HA -0.112 4.414 4.527 -0.003 0.000 0.298 239 F C 2.412 178.236 175.800 0.040 0.000 1.154 239 F CA 1.324 59.269 58.000 -0.093 0.000 1.457 239 F CB -0.521 38.394 39.000 -0.143 0.000 1.106 239 F HN 0.155 nan 8.300 nan 0.000 0.585 240 T N -3.914 110.768 114.554 0.212 0.000 3.044 240 T HA 0.138 4.486 4.350 -0.002 0.000 0.260 240 T C 0.582 175.388 174.700 0.176 0.000 1.019 240 T CA -0.396 61.870 62.100 0.277 0.000 0.921 240 T CB -0.033 68.935 68.868 0.166 0.000 1.053 240 T HN -0.189 nan 8.240 nan 0.000 0.533 241 K N 2.522 122.983 120.400 0.101 0.000 2.379 241 K HA 0.356 4.675 4.320 -0.002 0.000 0.284 241 K C -0.502 176.086 176.600 -0.021 0.000 1.044 241 K CA 0.043 56.338 56.287 0.013 0.000 0.974 241 K CB 0.404 32.889 32.500 -0.026 0.000 0.962 241 K HN 0.260 nan 8.250 nan 0.000 0.474 242 K N 2.837 123.178 120.400 -0.098 0.000 2.281 242 K HA 0.237 4.556 4.320 -0.002 0.000 0.242 242 K C -0.623 175.920 176.600 -0.095 0.000 0.971 242 K CA -1.103 55.088 56.287 -0.159 0.000 0.834 242 K CB 1.156 33.495 32.500 -0.269 0.000 1.181 242 K HN 0.815 nan 8.250 nan 0.000 0.435 243 D N -0.116 120.235 120.400 -0.082 0.000 2.511 243 D HA -0.054 4.585 4.640 -0.002 0.000 0.276 243 D C 0.761 177.027 176.300 -0.057 0.000 1.220 243 D CA -0.346 53.621 54.000 -0.055 0.000 1.077 243 D CB 0.339 41.116 40.800 -0.039 0.000 1.126 243 D HN 0.668 nan 8.370 nan 0.000 0.583 244 E N -0.972 119.203 120.200 -0.042 0.000 2.265 244 E HA -0.207 4.141 4.350 -0.002 0.000 0.196 244 E C 0.279 176.856 176.600 -0.039 0.000 0.996 244 E CA 1.224 57.602 56.400 -0.037 0.000 0.832 244 E CB -0.234 29.450 29.700 -0.028 0.000 0.756 244 E HN 0.305 nan 8.360 nan 0.000 0.491 245 D N -0.439 119.936 120.400 -0.041 0.000 2.349 245 D HA 0.120 4.759 4.640 -0.002 0.000 0.214 245 D C 1.186 177.455 176.300 -0.051 0.000 1.063 245 D CA 0.828 54.805 54.000 -0.038 0.000 0.847 245 D CB 0.986 41.770 40.800 -0.027 0.000 0.933 245 D HN 0.422 nan 8.370 nan 0.000 0.513 246 G N 0.741 109.494 108.800 -0.078 0.000 2.195 246 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.224 246 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.224 246 G C 0.224 175.034 174.900 -0.149 0.000 0.990 246 G CA -0.513 44.519 45.100 -0.114 0.000 0.639 246 G HN 0.205 nan 8.290 nan 0.000 0.514 247 N N 0.360 119.003 118.700 -0.095 0.000 2.513 247 N HA 0.325 5.064 4.740 -0.002 0.000 0.268 247 N C -0.330 175.127 175.510 -0.089 0.000 1.180 247 N CA 0.024 53.043 53.050 -0.052 0.000 0.948 247 N CB 0.475 38.961 38.487 -0.001 0.000 1.083 247 N HN 0.194 nan 8.380 nan 0.000 0.455 248 Y N 1.599 121.902 120.300 0.006 0.000 2.465 248 Y HA 0.002 4.550 4.550 -0.003 0.000 0.331 248 Y C 1.869 177.758 175.900 -0.019 0.000 1.102 248 Y CA 0.026 58.126 58.100 0.001 0.000 1.358 248 Y CB 0.532 39.011 38.460 0.030 0.000 1.213 248 Y HN 0.429 nan 8.280 nan 0.000 0.525 249 L N 2.668 123.941 121.223 0.085 0.000 2.042 249 L HA -0.228 4.111 4.340 -0.002 0.000 0.210 249 L C 2.237 179.109 176.870 0.004 0.000 1.076 249 L CA 1.013 55.864 54.840 0.017 0.000 0.749 249 L CB -0.515 41.526 42.059 -0.029 0.000 0.893 249 L HN 0.582 nan 8.230 nan 0.000 0.432 250 V N 0.055 119.958 119.914 -0.020 0.000 2.568 250 V HA -0.291 3.828 4.120 -0.002 0.000 0.253 250 V C 1.682 177.790 176.094 0.023 0.000 1.072 250 V CA 1.953 64.198 62.300 -0.091 0.000 1.084 250 V CB -0.352 31.290 31.823 -0.302 0.000 0.676 250 V HN 0.461 nan 8.190 nan 0.000 0.469 251 D N -0.679 119.773 120.400 0.088 0.000 2.349 251 D HA 0.027 4.665 4.640 -0.002 0.000 0.215 251 D C 1.549 177.889 176.300 0.067 0.000 1.016 251 D CA 1.257 55.316 54.000 0.098 0.000 0.870 251 D CB 0.600 41.476 40.800 0.127 0.000 0.917 251 D HN 0.593 nan 8.370 nan 0.000 0.524 252 V N -1.946 117.997 119.914 0.048 0.000 3.528 252 V HA 0.305 4.424 4.120 -0.002 0.000 0.294 252 V C 0.850 176.951 176.094 0.013 0.000 1.404 252 V CA -0.339 61.979 62.300 0.029 0.000 1.065 252 V CB -0.030 31.806 31.823 0.022 0.000 0.904 252 V HN -0.123 nan 8.190 nan 0.000 0.435 253 I N 2.295 122.868 120.570 0.005 0.000 2.496 253 I HA 0.188 4.356 4.170 -0.002 0.000 0.285 253 I C 0.166 176.284 176.117 0.001 0.000 1.080 253 I CA -0.395 60.900 61.300 -0.008 0.000 1.404 253 I CB 1.370 39.351 38.000 -0.031 0.000 1.403 253 I HN 0.194 nan 8.210 nan 0.000 0.539 254 L N 7.746 128.967 121.223 -0.002 0.000 2.462 254 L HA 0.014 4.353 4.340 -0.002 0.000 0.272 254 L C 0.655 177.526 176.870 0.002 0.000 1.166 254 L CA -0.001 54.840 54.840 0.002 0.000 0.880 254 L CB 0.179 42.237 42.059 -0.002 0.000 1.142 254 L HN 0.569 nan 8.230 nan 0.000 0.473 255 D N 4.492 124.898 120.400 0.010 0.000 2.885 255 D HA -0.010 4.629 4.640 -0.002 0.000 0.234 255 D C -0.561 175.745 176.300 0.010 0.000 1.129 255 D CA 0.070 54.079 54.000 0.014 0.000 0.991 255 D CB -0.327 40.487 40.800 0.023 0.000 1.137 255 D HN 0.612 nan 8.370 nan 0.000 0.459 256 E N 0.331 120.533 120.200 0.003 0.000 2.267 256 E HA 0.455 4.803 4.350 -0.002 0.000 0.248 256 E C -0.861 175.737 176.600 -0.003 0.000 0.899 256 E CA -0.811 55.592 56.400 0.006 0.000 0.764 256 E CB 1.685 31.387 29.700 0.003 0.000 1.227 256 E HN 0.382 nan 8.360 nan 0.000 0.421 257 A N 2.728 125.547 122.820 -0.001 0.000 2.347 257 A HA 0.601 4.919 4.320 -0.002 0.000 0.287 257 A C 0.286 177.861 177.584 -0.014 0.000 1.199 257 A CA -0.175 51.845 52.037 -0.029 0.000 0.851 257 A CB 0.419 19.387 19.000 -0.054 0.000 1.118 257 A HN 0.635 nan 8.150 nan 0.000 0.525 258 A N 3.190 125.991 122.820 -0.031 0.000 2.240 258 A HA 0.765 5.084 4.320 -0.002 0.000 0.292 258 A C 0.260 177.831 177.584 -0.021 0.000 1.121 258 A CA -0.209 51.821 52.037 -0.012 0.000 0.851 258 A CB 0.365 19.354 19.000 -0.019 0.000 1.167 258 A HN 1.246 nan 8.150 nan 0.000 0.503 259 N N -1.195 117.516 118.700 0.018 0.000 2.859 259 N HA 0.212 4.951 4.740 -0.002 0.000 0.250 259 N C -1.654 173.872 175.510 0.027 0.000 1.341 259 N CA -0.712 52.371 53.050 0.055 0.000 0.881 259 N CB 1.218 39.815 38.487 0.184 0.000 1.516 259 N HN 0.459 nan 8.380 nan 0.000 0.503 260 K N 0.226 120.627 120.400 0.002 0.000 2.861 260 K HA 0.262 4.581 4.320 -0.002 0.000 0.210 260 K C 0.681 177.107 176.600 -0.290 0.000 1.112 260 K CA 0.209 56.437 56.287 -0.098 0.000 1.076 260 K CB 0.626 33.078 32.500 -0.080 0.000 0.853 260 K HN 0.905 nan 8.250 nan 0.000 0.463 261 G N 1.350 109.963 108.800 -0.312 0.000 2.363 261 G HA2 -0.408 3.551 3.960 -0.002 0.000 0.238 261 G HA3 -0.408 3.551 3.960 -0.002 0.000 0.238 261 G C 1.197 175.417 174.900 -1.133 0.000 1.062 261 G CA 1.066 45.727 45.100 -0.732 0.000 0.629 261 G HN 0.400 nan 8.290 nan 0.000 0.514 262 T N -0.530 113.493 114.554 -0.885 0.000 3.035 262 T HA 0.301 4.650 4.350 -0.002 0.000 0.268 262 T C 2.326 176.737 174.700 -0.482 0.000 1.109 262 T CA 1.659 63.409 62.100 -0.582 0.000 1.119 262 T CB -0.252 68.445 68.868 -0.285 0.000 0.900 262 T HN 1.250 nan 8.240 nan 0.000 0.503 263 G N 2.433 110.763 108.800 -0.784 0.000 2.404 263 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.214 263 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.214 263 G C 1.510 176.120 174.900 -0.483 0.000 1.189 263 G CA 0.827 45.295 45.100 -1.053 0.000 0.789 263 G HN 0.672 nan 8.290 nan 0.000 0.533 264 K N -0.834 119.376 120.400 -0.317 0.000 2.097 264 K HA -0.132 4.186 4.320 -0.002 0.000 0.206 264 K C 2.182 178.817 176.600 0.057 0.000 1.049 264 K CA 1.450 57.672 56.287 -0.107 0.000 0.933 264 K CB -0.368 32.165 32.500 0.055 0.000 0.717 264 K HN 0.341 nan 8.250 nan 0.000 0.442 265 W N 2.111 123.358 121.300 -0.088 0.000 2.358 265 W HA -0.053 4.606 4.660 -0.002 0.000 0.303 265 W C 2.283 178.804 176.519 0.004 0.000 1.208 265 W CA 1.345 58.694 57.345 0.007 0.000 1.274 265 W CB -1.318 28.207 29.460 0.109 0.000 1.138 265 W HN 0.168 nan 8.180 nan 0.000 0.515 266 T N 0.124 114.745 114.554 0.112 0.000 2.708 266 T HA -0.171 4.178 4.350 -0.002 0.000 0.266 266 T C 2.026 176.727 174.700 0.000 0.000 1.037 266 T CA 2.213 64.302 62.100 -0.019 0.000 1.146 266 T CB -0.561 68.217 68.868 -0.150 0.000 0.865 266 T HN -0.008 nan 8.240 nan 0.000 0.435 267 S N 1.371 117.038 115.700 -0.055 0.000 2.382 267 S HA -0.121 4.347 4.470 -0.002 0.000 0.228 267 S C 2.213 176.833 174.600 0.032 0.000 1.027 267 S CA 0.963 59.127 58.200 -0.061 0.000 0.991 267 S CB -0.323 62.767 63.200 -0.182 0.000 0.823 267 S HN 0.546 nan 8.310 nan 0.000 0.469 268 Q N 0.476 120.333 119.800 0.095 0.000 2.167 268 Q HA -0.057 4.282 4.340 -0.002 0.000 0.202 268 Q C 2.397 178.511 176.000 0.190 0.000 0.970 268 Q CA 1.308 57.198 55.803 0.145 0.000 0.855 268 Q CB -0.236 28.606 28.738 0.173 0.000 0.911 268 Q HN 0.492 nan 8.270 nan 0.000 0.438 269 S N 0.184 116.024 115.700 0.233 0.000 2.387 269 S HA -0.101 4.368 4.470 -0.002 0.000 0.226 269 S C 1.999 176.727 174.600 0.213 0.000 1.026 269 S CA 0.909 59.286 58.200 0.295 0.000 0.972 269 S CB -0.118 63.290 63.200 0.347 0.000 0.814 269 S HN 0.440 nan 8.310 nan 0.000 0.477 270 A N 1.461 124.364 122.820 0.138 0.000 1.908 270 A HA 0.006 4.324 4.320 -0.002 0.000 0.218 270 A C 2.184 179.825 177.584 0.096 0.000 1.181 270 A CA 1.536 53.631 52.037 0.097 0.000 0.627 270 A CB -0.835 18.191 19.000 0.044 0.000 0.818 270 A HN 0.577 nan 8.150 nan 0.000 0.445 271 L N -0.627 120.655 121.223 0.098 0.000 2.093 271 L HA -0.169 4.170 4.340 -0.002 0.000 0.208 271 L C 1.980 178.913 176.870 0.104 0.000 1.085 271 L CA 1.343 56.240 54.840 0.096 0.000 0.755 271 L CB -0.495 41.622 42.059 0.098 0.000 0.904 271 L HN 0.299 nan 8.230 nan 0.000 0.435 272 D N -0.078 120.403 120.400 0.134 0.000 2.178 272 D HA -0.091 4.547 4.640 -0.002 0.000 0.202 272 D C 2.151 178.512 176.300 0.101 0.000 0.974 272 D CA 1.175 55.256 54.000 0.135 0.000 0.841 272 D CB 0.124 41.046 40.800 0.203 0.000 0.953 272 D HN 0.318 nan 8.370 nan 0.000 0.478 273 L N -0.804 120.479 121.223 0.100 0.000 2.567 273 L HA 0.206 4.545 4.340 -0.002 0.000 0.225 273 L C 1.328 178.221 176.870 0.037 0.000 1.119 273 L CA 0.288 55.158 54.840 0.051 0.000 0.871 273 L CB 0.197 42.293 42.059 0.062 0.000 1.036 273 L HN 0.051 nan 8.230 nan 0.000 0.459 274 G N 0.321 109.153 108.800 0.054 0.000 2.147 274 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.244 274 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.244 274 G C -0.020 174.917 174.900 0.061 0.000 1.005 274 G CA -0.244 44.887 45.100 0.052 0.000 0.713 274 G HN 0.278 nan 8.290 nan 0.000 0.515 275 E N 0.624 120.863 120.200 0.065 0.000 2.197 275 E HA 0.375 4.723 4.350 -0.002 0.000 0.281 275 E C -2.221 174.422 176.600 0.072 0.000 0.995 275 E CA -1.879 54.562 56.400 0.069 0.000 0.808 275 E CB 1.888 31.622 29.700 0.056 0.000 1.093 275 E HN 0.190 nan 8.360 nan 0.000 0.394 276 P HA 0.144 nan 4.420 nan 0.000 0.238 276 P C -0.141 177.176 177.300 0.030 0.000 1.794 276 P CA -0.308 62.858 63.100 0.110 0.000 1.088 276 P CB -0.173 31.655 31.700 0.213 0.000 1.923 277 L N 2.696 123.912 121.223 -0.012 0.000 2.648 277 L HA 0.090 4.428 4.340 -0.002 0.000 0.238 277 L C 1.651 178.470 176.870 -0.084 0.000 1.316 277 L CA 0.187 54.979 54.840 -0.080 0.000 1.241 277 L CB -0.398 41.624 42.059 -0.063 0.000 1.499 277 L HN 0.155 nan 8.230 nan 0.000 0.411 278 S N 0.233 115.890 115.700 -0.072 0.000 2.402 278 S HA -0.181 4.287 4.470 -0.002 0.000 0.229 278 S C 1.723 176.300 174.600 -0.038 0.000 1.021 278 S CA 1.068 59.255 58.200 -0.022 0.000 0.974 278 S CB -0.403 62.825 63.200 0.048 0.000 0.800 278 S HN 0.597 nan 8.310 nan 0.000 0.484 279 L N 0.589 121.766 121.223 -0.077 0.000 2.044 279 L HA 0.170 4.509 4.340 -0.002 0.000 0.205 279 L C 2.494 179.334 176.870 -0.050 0.000 1.075 279 L CA 1.159 55.977 54.840 -0.036 0.000 0.747 279 L CB -0.271 41.763 42.059 -0.041 0.000 0.903 279 L HN 0.288 nan 8.230 nan 0.000 0.435 280 I N -0.807 119.708 120.570 -0.092 0.000 2.286 280 I HA -0.301 3.867 4.170 -0.002 0.000 0.248 280 I C 2.272 178.291 176.117 -0.163 0.000 1.115 280 I CA 1.516 62.749 61.300 -0.111 0.000 1.392 280 I CB -0.365 37.545 38.000 -0.149 0.000 1.065 280 I HN 0.285 nan 8.210 nan 0.000 0.418 281 T N -0.067 114.368 114.554 -0.198 0.000 2.777 281 T HA -0.125 4.224 4.350 -0.002 0.000 0.266 281 T C 1.780 176.249 174.700 -0.384 0.000 1.040 281 T CA 1.022 62.904 62.100 -0.364 0.000 1.141 281 T CB -0.142 68.540 68.868 -0.308 0.000 0.868 281 T HN 0.258 nan 8.240 nan 0.000 0.444 282 E N 1.389 121.517 120.200 -0.120 0.000 2.204 282 E HA -0.035 4.313 4.350 -0.002 0.000 0.195 282 E C 2.496 179.099 176.600 0.005 0.000 0.990 282 E CA 0.653 57.074 56.400 0.035 0.000 0.821 282 E CB -0.393 29.363 29.700 0.093 0.000 0.750 282 E HN 0.400 nan 8.360 nan 0.000 0.477 283 S N 0.422 116.101 115.700 -0.035 0.000 2.368 283 S HA -0.091 4.377 4.470 -0.002 0.000 0.224 283 S C 2.253 176.839 174.600 -0.024 0.000 1.029 283 S CA 0.917 59.118 58.200 0.001 0.000 0.988 283 S CB -0.163 63.064 63.200 0.044 0.000 0.838 283 S HN 0.067 nan 8.310 nan 0.000 0.462 284 V N 1.330 121.161 119.914 -0.138 0.000 2.295 284 V HA -0.148 3.971 4.120 -0.002 0.000 0.246 284 V C 1.988 177.813 176.094 -0.448 0.000 1.049 284 V CA 1.627 63.740 62.300 -0.311 0.000 1.024 284 V CB -0.854 30.628 31.823 -0.569 0.000 0.648 284 V HN 0.384 nan 8.190 nan 0.000 0.447 285 F N 0.868 120.627 119.950 -0.319 0.000 2.234 285 F HA -0.037 4.489 4.527 -0.002 0.000 0.299 285 F C 2.390 178.155 175.800 -0.057 0.000 1.087 285 F CA 0.726 58.605 58.000 -0.203 0.000 1.340 285 F CB -1.342 37.620 39.000 -0.062 0.000 1.031 285 F HN 0.110 nan 8.300 nan 0.000 0.500 286 A N 0.157 123.054 122.820 0.128 0.000 1.930 286 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 286 A C 2.423 180.055 177.584 0.080 0.000 1.175 286 A CA 1.179 53.269 52.037 0.089 0.000 0.627 286 A CB -0.522 18.507 19.000 0.049 0.000 0.815 286 A HN 0.257 nan 8.150 nan 0.000 0.443 287 R N -1.568 118.960 120.500 0.048 0.000 2.075 287 R HA -0.117 4.222 4.340 -0.002 0.000 0.232 287 R C 1.947 178.391 176.300 0.239 0.000 1.126 287 R CA 1.506 57.653 56.100 0.079 0.000 0.963 287 R CB -0.495 29.824 30.300 0.031 0.000 0.858 287 R HN 0.609 nan 8.270 nan 0.000 0.435 288 Y N 0.702 121.068 120.300 0.108 0.000 2.224 288 Y HA -0.154 4.394 4.550 -0.002 0.000 0.289 288 Y C 2.193 178.130 175.900 0.061 0.000 1.146 288 Y CA 0.318 58.479 58.100 0.102 0.000 1.182 288 Y CB -0.616 37.948 38.460 0.173 0.000 0.983 288 Y HN 0.066 nan 8.280 nan 0.000 0.524 289 I N -0.216 120.492 120.570 0.230 0.000 2.617 289 I HA -0.228 3.941 4.170 -0.002 0.000 0.256 289 I C 2.366 178.531 176.117 0.081 0.000 1.167 289 I CA 1.199 62.569 61.300 0.117 0.000 1.469 289 I CB -0.189 37.861 38.000 0.083 0.000 1.098 289 I HN 0.229 nan 8.210 nan 0.000 0.436 290 S N -0.652 115.099 115.700 0.085 0.000 2.399 290 S HA -0.137 4.332 4.470 -0.002 0.000 0.231 290 S C 1.865 176.492 174.600 0.046 0.000 1.022 290 S CA 1.459 59.691 58.200 0.052 0.000 0.983 290 S CB -0.479 62.745 63.200 0.040 0.000 0.803 290 S HN 0.397 nan 8.310 nan 0.000 0.480 291 S N 1.174 116.912 115.700 0.064 0.000 2.607 291 S HA 0.315 4.784 4.470 -0.002 0.000 0.224 291 S C 0.686 175.297 174.600 0.019 0.000 0.969 291 S CA 0.204 58.427 58.200 0.038 0.000 0.927 291 S CB -0.372 62.855 63.200 0.045 0.000 0.772 291 S HN 0.501 nan 8.310 nan 0.000 0.533 292 L N 1.577 122.814 121.223 0.024 0.000 3.029 292 L HA 0.301 4.640 4.340 -0.002 0.000 0.231 292 L C 1.482 178.356 176.870 0.007 0.000 1.327 292 L CA -0.296 54.550 54.840 0.009 0.000 1.166 292 L CB 0.159 42.224 42.059 0.010 0.000 1.532 292 L HN 0.038 nan 8.230 nan 0.000 0.473 293 K N 0.702 121.106 120.400 0.007 0.000 2.032 293 K HA -0.195 4.124 4.320 -0.002 0.000 0.209 293 K C 1.406 178.007 176.600 0.001 0.000 1.048 293 K CA 1.806 58.096 56.287 0.005 0.000 0.927 293 K CB 0.159 32.662 32.500 0.004 0.000 0.712 293 K HN 0.251 nan 8.250 nan 0.000 0.441 294 D N 0.290 120.689 120.400 -0.002 0.000 2.144 294 D HA -0.143 4.495 4.640 -0.002 0.000 0.199 294 D C 1.958 178.256 176.300 -0.004 0.000 0.984 294 D CA 1.101 55.099 54.000 -0.003 0.000 0.834 294 D CB -0.098 40.699 40.800 -0.005 0.000 0.955 294 D HN 0.409 nan 8.370 nan 0.000 0.465 295 Q N 0.060 119.857 119.800 -0.004 0.000 2.119 295 Q HA -0.051 4.287 4.340 -0.002 0.000 0.201 295 Q C 2.268 178.266 176.000 -0.004 0.000 0.972 295 Q CA 0.849 56.649 55.803 -0.005 0.000 0.847 295 Q CB 0.083 28.817 28.738 -0.006 0.000 0.903 295 Q HN 0.255 nan 8.270 nan 0.000 0.433 296 R N -0.263 120.237 120.500 -0.001 0.000 2.075 296 R HA -0.088 4.251 4.340 -0.002 0.000 0.232 296 R C 2.323 178.621 176.300 -0.003 0.000 1.126 296 R CA 1.116 57.215 56.100 -0.001 0.000 0.963 296 R CB -0.294 30.007 30.300 0.002 0.000 0.858 296 R HN 0.093 nan 8.270 nan 0.000 0.435 297 V N 1.144 121.057 119.914 -0.002 0.000 2.295 297 V HA -0.259 3.859 4.120 -0.002 0.000 0.246 297 V C 2.464 178.556 176.094 -0.004 0.000 1.049 297 V CA 2.038 64.336 62.300 -0.003 0.000 1.024 297 V CB -0.674 31.147 31.823 -0.002 0.000 0.648 297 V HN 0.408 nan 8.190 nan 0.000 0.447 298 A N -0.102 122.716 122.820 -0.005 0.000 1.877 298 A HA -0.115 4.203 4.320 -0.002 0.000 0.216 298 A C 2.401 179.982 177.584 -0.006 0.000 1.186 298 A CA 2.102 54.136 52.037 -0.005 0.000 0.620 298 A CB -0.801 18.196 19.000 -0.006 0.000 0.822 298 A HN 0.578 nan 8.150 nan 0.000 0.443 299 A N 0.312 123.128 122.820 -0.007 0.000 1.969 299 A HA -0.053 4.265 4.320 -0.002 0.000 0.218 299 A C 2.424 180.003 177.584 -0.008 0.000 1.169 299 A CA 2.090 54.123 52.037 -0.008 0.000 0.635 299 A CB -0.952 18.044 19.000 -0.008 0.000 0.810 299 A HN 1.050 nan 8.150 nan 0.000 0.445 300 S N -0.114 115.582 115.700 -0.007 0.000 2.442 300 S HA -0.134 4.334 4.470 -0.002 0.000 0.236 300 S C 1.527 176.122 174.600 -0.008 0.000 1.007 300 S CA 1.511 59.706 58.200 -0.008 0.000 0.965 300 S CB -0.306 62.889 63.200 -0.008 0.000 0.773 300 S HN 0.631 nan 8.310 nan 0.000 0.504 301 K N 0.597 120.993 120.400 -0.007 0.000 2.393 301 K HA 0.188 4.507 4.320 -0.002 0.000 0.193 301 K C 1.529 178.124 176.600 -0.007 0.000 1.026 301 K CA 0.782 57.065 56.287 -0.007 0.000 1.064 301 K CB 0.499 32.996 32.500 -0.006 0.000 0.833 301 K HN 0.529 nan 8.250 nan 0.000 0.521 302 V N -2.901 117.008 119.914 -0.008 0.000 3.539 302 V HA 0.265 4.383 4.120 -0.002 0.000 0.262 302 V C 0.392 176.481 176.094 -0.009 0.000 1.381 302 V CA -0.405 61.891 62.300 -0.008 0.000 1.060 302 V CB -0.006 31.812 31.823 -0.007 0.000 0.842 302 V HN -0.055 nan 8.190 nan 0.000 0.445 303 L N 3.117 124.334 121.223 -0.009 0.000 2.312 303 L HA 0.638 4.977 4.340 -0.002 0.000 0.281 303 L C 0.598 177.461 176.870 -0.011 0.000 1.070 303 L CA -0.007 54.827 54.840 -0.010 0.000 0.805 303 L CB 1.706 43.758 42.059 -0.011 0.000 1.174 303 L HN 0.459 nan 8.230 nan 0.000 0.434 304 S N 1.351 117.044 115.700 -0.012 0.000 2.672 304 S HA 0.896 5.364 4.470 -0.002 0.000 0.276 304 S C -0.088 174.503 174.600 -0.016 0.000 1.207 304 S CA -0.242 57.950 58.200 -0.013 0.000 1.002 304 S CB 2.076 65.269 63.200 -0.012 0.000 0.998 304 S HN 0.860 nan 8.310 nan 0.000 0.542 305 G N 0.378 109.167 108.800 -0.018 0.000 2.576 305 G HA2 0.616 4.575 3.960 -0.002 0.000 0.290 305 G HA3 0.616 4.575 3.960 -0.002 0.000 0.290 305 G C -3.107 171.778 174.900 -0.026 0.000 1.442 305 G CA -1.021 44.066 45.100 -0.022 0.000 0.792 305 G HN 0.745 nan 8.290 nan 0.000 0.491 306 P HA 0.512 nan 4.420 nan 0.000 0.282 306 P C -1.079 176.197 177.300 -0.042 0.000 1.287 306 P CA -0.392 62.685 63.100 -0.038 0.000 0.792 306 P CB 1.161 32.832 31.700 -0.048 0.000 1.163 307 Q N -0.933 118.842 119.800 -0.042 0.000 2.204 307 Q HA 0.557 4.896 4.340 -0.002 0.000 0.254 307 Q C -0.298 175.668 176.000 -0.057 0.000 0.981 307 Q CA -0.797 54.983 55.803 -0.040 0.000 0.897 307 Q CB 1.619 30.341 28.738 -0.027 0.000 1.273 307 Q HN 0.645 nan 8.270 nan 0.000 0.464 308 A N 2.035 124.827 122.820 -0.047 0.000 2.531 308 A HA 0.087 4.405 4.320 -0.002 0.000 0.236 308 A C 0.210 177.775 177.584 -0.031 0.000 1.062 308 A CA -0.036 51.968 52.037 -0.055 0.000 0.760 308 A CB 0.170 19.179 19.000 0.015 0.000 0.995 308 A HN 0.484 nan 8.150 nan 0.000 0.501 309 Q N 0.861 120.615 119.800 -0.077 0.000 2.249 309 Q HA 0.367 4.705 4.340 -0.002 0.000 0.226 309 Q C -2.335 173.791 176.000 0.209 0.000 0.983 309 Q CA -1.914 53.905 55.803 0.027 0.000 0.930 309 Q CB -0.302 28.408 28.738 -0.047 0.000 1.193 309 Q HN 0.467 nan 8.270 nan 0.000 0.508 310 P HA 0.031 nan 4.420 nan 0.000 0.267 310 P C -0.477 176.921 177.300 0.164 0.000 1.205 310 P CA 0.339 63.505 63.100 0.109 0.000 0.765 310 P CB 0.561 32.300 31.700 0.066 0.000 0.828 311 A N 3.384 126.188 122.820 -0.027 0.000 2.132 311 A HA 0.461 4.780 4.320 -0.002 0.000 0.213 311 A C 1.182 178.704 177.584 -0.102 0.000 1.154 311 A CA 1.018 52.900 52.037 -0.258 0.000 0.753 311 A CB -1.037 17.446 19.000 -0.861 0.000 0.826 311 A HN 0.743 nan 8.150 nan 0.000 0.469 312 G N -0.205 108.563 108.800 -0.054 0.000 2.632 312 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.224 312 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.224 312 G C -0.365 174.517 174.900 -0.031 0.000 1.341 312 G CA -0.041 45.051 45.100 -0.013 0.000 0.880 312 G HN 0.727 nan 8.290 nan 0.000 0.566 313 D N 0.083 120.482 120.400 -0.001 0.000 2.487 313 D HA 0.247 4.885 4.640 -0.002 0.000 0.243 313 D C 1.604 177.908 176.300 0.006 0.000 1.154 313 D CA 0.887 54.884 54.000 -0.004 0.000 0.876 313 D CB 0.770 41.574 40.800 0.006 0.000 1.161 313 D HN 0.690 nan 8.370 nan 0.000 0.478 314 K N 3.230 123.617 120.400 -0.022 0.000 2.020 314 K HA -0.258 4.061 4.320 -0.002 0.000 0.212 314 K C 1.772 178.395 176.600 0.037 0.000 1.050 314 K CA 1.518 57.793 56.287 -0.020 0.000 0.929 314 K CB -0.188 32.283 32.500 -0.048 0.000 0.714 314 K HN 0.555 nan 8.250 nan 0.000 0.443 315 A N 1.051 123.883 122.820 0.020 0.000 1.933 315 A HA -0.177 4.141 4.320 -0.002 0.000 0.218 315 A C 1.853 179.461 177.584 0.040 0.000 1.175 315 A CA 1.697 53.750 52.037 0.028 0.000 0.628 315 A CB -0.457 18.548 19.000 0.009 0.000 0.814 315 A HN 0.505 nan 8.150 nan 0.000 0.444 316 E N -1.448 118.773 120.200 0.036 0.000 2.077 316 E HA -0.168 4.180 4.350 -0.002 0.000 0.193 316 E C 1.730 178.350 176.600 0.033 0.000 0.989 316 E CA 1.254 57.665 56.400 0.019 0.000 0.800 316 E CB -0.253 29.456 29.700 0.014 0.000 0.746 316 E HN 0.715 nan 8.360 nan 0.000 0.452 317 F N 1.260 121.161 119.950 -0.082 0.000 2.102 317 F HA -0.164 4.362 4.527 -0.002 0.000 0.298 317 F C 2.013 177.779 175.800 -0.057 0.000 1.105 317 F CA 1.253 59.187 58.000 -0.109 0.000 1.239 317 F CB -0.018 38.889 39.000 -0.156 0.000 0.991 317 F HN -0.087 nan 8.300 nan 0.000 0.474 318 I N 0.239 120.939 120.570 0.217 0.000 2.208 318 I HA -0.286 3.882 4.170 -0.002 0.000 0.245 318 I C 2.346 178.535 176.117 0.120 0.000 1.097 318 I CA 1.811 63.230 61.300 0.197 0.000 1.363 318 I CB -0.479 37.614 38.000 0.155 0.000 1.051 318 I HN 0.188 nan 8.210 nan 0.000 0.413 319 E N 1.492 121.699 120.200 0.011 0.000 2.106 319 E HA -0.197 4.152 4.350 -0.002 0.000 0.192 319 E C 2.035 178.486 176.600 -0.248 0.000 0.984 319 E CA 1.463 57.797 56.400 -0.109 0.000 0.806 319 E CB -0.012 29.624 29.700 -0.108 0.000 0.750 319 E HN 0.289 nan 8.360 nan 0.000 0.458 320 K N -0.269 119.984 120.400 -0.245 0.000 2.057 320 K HA -0.070 4.248 4.320 -0.002 0.000 0.206 320 K C 2.108 178.501 176.600 -0.344 0.000 1.050 320 K CA 1.341 57.439 56.287 -0.316 0.000 0.935 320 K CB -0.101 32.211 32.500 -0.315 0.000 0.715 320 K HN 0.049 nan 8.250 nan 0.000 0.439 321 V N 1.468 121.191 119.914 -0.318 0.000 2.343 321 V HA -0.239 3.880 4.120 -0.002 0.000 0.247 321 V C 2.418 178.324 176.094 -0.314 0.000 1.051 321 V CA 1.609 63.803 62.300 -0.176 0.000 1.036 321 V CB -0.510 31.326 31.823 0.021 0.000 0.654 321 V HN 0.319 nan 8.190 nan 0.000 0.451 322 R N 0.021 120.208 120.500 -0.523 0.000 2.083 322 R HA -0.169 4.170 4.340 -0.002 0.000 0.237 322 R C 2.570 178.437 176.300 -0.722 0.000 1.137 322 R CA 1.728 57.178 56.100 -1.084 0.000 0.951 322 R CB -0.159 29.449 30.300 -1.153 0.000 0.851 322 R HN 0.434 nan 8.270 nan 0.000 0.434 323 R N -0.347 119.761 120.500 -0.654 0.000 2.092 323 R HA -0.057 4.281 4.340 -0.002 0.000 0.231 323 R C 2.310 178.377 176.300 -0.389 0.000 1.119 323 R CA 1.252 56.909 56.100 -0.739 0.000 0.970 323 R CB -0.260 29.442 30.300 -0.997 0.000 0.864 323 R HN 0.249 nan 8.270 nan 0.000 0.440 324 A N 1.244 123.802 122.820 -0.437 0.000 1.902 324 A HA -0.159 4.159 4.320 -0.002 0.000 0.217 324 A C 2.063 179.208 177.584 -0.731 0.000 1.181 324 A CA 1.084 52.772 52.037 -0.581 0.000 0.623 324 A CB -0.464 18.151 19.000 -0.642 0.000 0.818 324 A HN 0.243 nan 8.150 nan 0.000 0.443 325 L N -1.649 119.265 121.223 -0.514 0.000 2.046 325 L HA -0.136 4.202 4.340 -0.002 0.000 0.208 325 L C 2.267 179.057 176.870 -0.134 0.000 1.077 325 L CA 2.280 56.976 54.840 -0.239 0.000 0.747 325 L CB -0.915 41.105 42.059 -0.066 0.000 0.896 325 L HN 0.523 nan 8.230 nan 0.000 0.432 326 Y N -1.246 118.899 120.300 -0.257 0.000 2.200 326 Y HA -0.235 4.314 4.550 -0.002 0.000 0.290 326 Y C 2.373 178.223 175.900 -0.083 0.000 1.137 326 Y CA 1.488 59.499 58.100 -0.148 0.000 1.163 326 Y CB 0.072 38.517 38.460 -0.024 0.000 0.988 326 Y HN 0.300 nan 8.280 nan 0.000 0.518 327 L N 0.233 121.437 121.223 -0.032 0.000 2.141 327 L HA 0.002 4.340 4.340 -0.002 0.000 0.209 327 L C 2.342 179.122 176.870 -0.150 0.000 1.094 327 L CA 2.067 56.843 54.840 -0.107 0.000 0.763 327 L CB -1.219 40.799 42.059 -0.068 0.000 0.908 327 L HN 0.268 nan 8.230 nan 0.000 0.437 328 G N -0.692 107.986 108.800 -0.204 0.000 2.418 328 G HA2 -0.270 3.688 3.960 -0.002 0.000 0.217 328 G HA3 -0.270 3.688 3.960 -0.002 0.000 0.217 328 G C 1.711 176.584 174.900 -0.044 0.000 1.158 328 G CA 0.781 45.806 45.100 -0.125 0.000 0.771 328 G HN 0.386 nan 8.290 nan 0.000 0.545 329 K N -0.160 120.174 120.400 -0.110 0.000 2.057 329 K HA 0.011 4.330 4.320 -0.002 0.000 0.207 329 K C 2.474 179.045 176.600 -0.048 0.000 1.049 329 K CA 0.988 57.203 56.287 -0.120 0.000 0.931 329 K CB -0.268 31.941 32.500 -0.486 0.000 0.714 329 K HN 0.328 nan 8.250 nan 0.000 0.440 330 I N 0.663 121.153 120.570 -0.134 0.000 2.208 330 I HA -0.293 3.876 4.170 -0.002 0.000 0.245 330 I C 2.227 178.366 176.117 0.037 0.000 1.097 330 I CA 1.103 62.423 61.300 0.033 0.000 1.363 330 I CB -0.232 37.779 38.000 0.019 0.000 1.051 330 I HN -0.050 nan 8.210 nan 0.000 0.413 331 V N -0.321 119.609 119.914 0.026 0.000 2.407 331 V HA -0.290 3.828 4.120 -0.002 0.000 0.248 331 V C 2.566 178.631 176.094 -0.047 0.000 1.055 331 V CA 2.140 64.454 62.300 0.022 0.000 1.049 331 V CB -0.454 31.407 31.823 0.064 0.000 0.662 331 V HN 0.443 nan 8.190 nan 0.000 0.455 332 S N -1.162 114.559 115.700 0.035 0.000 2.356 332 S HA -0.210 4.259 4.470 -0.002 0.000 0.223 332 S C 1.965 176.605 174.600 0.067 0.000 1.032 332 S CA 1.709 59.922 58.200 0.022 0.000 1.005 332 S CB -0.358 62.892 63.200 0.082 0.000 0.867 332 S HN 0.616 nan 8.310 nan 0.000 0.449 333 Y N 1.589 121.910 120.300 0.036 0.000 2.293 333 Y HA 0.117 4.665 4.550 -0.002 0.000 0.291 333 Y C 2.646 178.590 175.900 0.074 0.000 1.137 333 Y CA 0.589 58.773 58.100 0.140 0.000 1.202 333 Y CB -0.884 37.701 38.460 0.208 0.000 0.990 333 Y HN 0.356 nan 8.280 nan 0.000 0.537 334 A N -0.118 122.746 122.820 0.073 0.000 1.902 334 A HA -0.248 4.071 4.320 -0.002 0.000 0.217 334 A C 2.115 179.676 177.584 -0.038 0.000 1.181 334 A CA 1.781 53.796 52.037 -0.036 0.000 0.623 334 A CB -0.627 18.324 19.000 -0.081 0.000 0.818 334 A HN 0.519 nan 8.150 nan 0.000 0.443 335 Q N -0.865 118.849 119.800 -0.143 0.000 2.079 335 Q HA -0.096 4.242 4.340 -0.002 0.000 0.200 335 Q C 2.240 178.199 176.000 -0.069 0.000 0.974 335 Q CA 1.197 56.883 55.803 -0.195 0.000 0.840 335 Q CB -0.415 28.117 28.738 -0.344 0.000 0.898 335 Q HN 0.684 nan 8.270 nan 0.000 0.430 336 G N -0.025 108.758 108.800 -0.029 0.000 2.402 336 G HA2 -0.220 3.738 3.960 -0.002 0.000 0.216 336 G HA3 -0.220 3.738 3.960 -0.002 0.000 0.216 336 G C 1.011 175.887 174.900 -0.039 0.000 1.162 336 G CA 0.390 45.461 45.100 -0.049 0.000 0.777 336 G HN 0.205 nan 8.290 nan 0.000 0.539 337 F N 1.089 121.025 119.950 -0.024 0.000 2.325 337 F HA 0.037 4.563 4.527 -0.002 0.000 0.299 337 F C 2.997 178.736 175.800 -0.102 0.000 1.090 337 F CA 1.167 59.155 58.000 -0.021 0.000 1.392 337 F CB -0.181 38.804 39.000 -0.024 0.000 1.053 337 F HN 0.209 nan 8.300 nan 0.000 0.521 338 S N -0.422 115.304 115.700 0.042 0.000 2.383 338 S HA -0.252 4.217 4.470 -0.002 0.000 0.227 338 S C 2.127 176.717 174.600 -0.017 0.000 1.026 338 S CA 1.491 59.678 58.200 -0.020 0.000 0.981 338 S CB -0.331 62.866 63.200 -0.005 0.000 0.818 338 S HN 0.551 nan 8.310 nan 0.000 0.472 339 Q N 0.177 119.979 119.800 0.003 0.000 2.079 339 Q HA -0.036 4.303 4.340 -0.002 0.000 0.200 339 Q C 2.143 178.188 176.000 0.075 0.000 0.974 339 Q CA 1.430 57.259 55.803 0.044 0.000 0.840 339 Q CB -0.245 28.528 28.738 0.057 0.000 0.898 339 Q HN 0.584 nan 8.270 nan 0.000 0.430 340 L N 0.143 121.397 121.223 0.052 0.000 2.079 340 L HA -0.228 4.110 4.340 -0.002 0.000 0.210 340 L C 2.660 179.637 176.870 0.179 0.000 1.081 340 L CA 1.503 56.426 54.840 0.138 0.000 0.752 340 L CB -0.364 41.750 42.059 0.092 0.000 0.896 340 L HN 0.230 nan 8.230 nan 0.000 0.433 341 R N -0.263 120.235 120.500 -0.004 0.000 2.075 341 R HA -0.109 4.229 4.340 -0.002 0.000 0.232 341 R C 2.438 178.745 176.300 0.010 0.000 1.126 341 R CA 1.280 57.362 56.100 -0.029 0.000 0.963 341 R CB -0.493 29.672 30.300 -0.225 0.000 0.858 341 R HN 0.344 nan 8.270 nan 0.000 0.435 342 A N 1.262 124.070 122.820 -0.021 0.000 1.930 342 A HA -0.066 4.253 4.320 -0.002 0.000 0.217 342 A C 2.344 179.847 177.584 -0.134 0.000 1.175 342 A CA 1.585 53.588 52.037 -0.057 0.000 0.627 342 A CB -0.518 18.467 19.000 -0.026 0.000 0.815 342 A HN 0.389 nan 8.150 nan 0.000 0.443 343 A N -0.924 121.824 122.820 -0.120 0.000 1.930 343 A HA -0.047 4.271 4.320 -0.002 0.000 0.217 343 A C 2.447 179.838 177.584 -0.321 0.000 1.175 343 A CA 1.950 53.815 52.037 -0.286 0.000 0.627 343 A CB -0.887 17.768 19.000 -0.576 0.000 0.815 343 A HN 0.538 nan 8.150 nan 0.000 0.443 344 S N -0.451 115.217 115.700 -0.054 0.000 2.368 344 S HA -0.221 4.247 4.470 -0.002 0.000 0.225 344 S C 2.064 176.573 174.600 -0.151 0.000 1.030 344 S CA 1.949 60.173 58.200 0.040 0.000 0.999 344 S CB -0.288 63.051 63.200 0.231 0.000 0.844 344 S HN 0.630 nan 8.310 nan 0.000 0.459 345 E N 1.150 121.264 120.200 -0.143 0.000 2.072 345 E HA -0.124 4.225 4.350 -0.002 0.000 0.191 345 E C 1.915 178.325 176.600 -0.316 0.000 0.985 345 E CA 1.758 58.056 56.400 -0.171 0.000 0.801 345 E CB -0.482 29.150 29.700 -0.114 0.000 0.750 345 E HN 0.572 nan 8.360 nan 0.000 0.452 346 E N -0.976 118.928 120.200 -0.492 0.000 2.106 346 E HA -0.146 4.203 4.350 -0.002 0.000 0.192 346 E C 0.920 176.978 176.600 -0.904 0.000 0.984 346 E CA 1.238 57.204 56.400 -0.723 0.000 0.806 346 E CB -0.277 28.832 29.700 -0.984 0.000 0.750 346 E HN 0.454 nan 8.360 nan 0.000 0.458 347 Y N 0.506 120.388 120.300 -0.697 0.000 2.458 347 Y HA 0.322 4.871 4.550 -0.002 0.000 0.256 347 Y C -0.025 175.316 175.900 -0.932 0.000 1.159 347 Y CA 0.014 57.526 58.100 -0.980 0.000 1.261 347 Y CB 0.015 37.380 38.460 -1.825 0.000 1.119 347 Y HN -0.060 nan 8.280 nan 0.000 0.524 348 N N -0.646 117.748 118.700 -0.511 0.000 2.746 348 N HA -0.208 4.531 4.740 -0.002 0.000 0.250 348 N C -0.327 175.141 175.510 -0.071 0.000 1.055 348 N CA 0.755 53.669 53.050 -0.226 0.000 0.699 348 N CB -1.456 36.957 38.487 -0.123 0.000 0.919 348 N HN 0.498 nan 8.380 nan 0.000 0.548 349 W N 0.139 121.426 121.300 -0.023 0.000 3.107 349 W HA 0.147 4.806 4.660 -0.002 0.000 0.293 349 W C 1.055 177.521 176.519 -0.088 0.000 1.239 349 W CA 0.217 57.525 57.345 -0.062 0.000 1.653 349 W CB -0.254 29.143 29.460 -0.105 0.000 1.068 349 W HN 0.231 nan 8.180 nan 0.000 0.615 350 D N 1.203 121.683 120.400 0.133 0.000 2.704 350 D HA -0.201 4.438 4.640 -0.002 0.000 0.232 350 D C 0.104 176.371 176.300 -0.054 0.000 1.183 350 D CA 0.482 54.510 54.000 0.047 0.000 0.647 350 D CB -1.110 39.714 40.800 0.041 0.000 1.013 350 D HN 0.020 nan 8.370 nan 0.000 0.415 351 L N 0.271 121.429 121.223 -0.109 0.000 2.506 351 L HA 0.040 4.379 4.340 -0.002 0.000 0.281 351 L C 1.332 177.797 176.870 -0.675 0.000 1.228 351 L CA 0.224 54.836 54.840 -0.379 0.000 0.850 351 L CB 0.250 42.060 42.059 -0.415 0.000 1.110 351 L HN 0.234 nan 8.230 nan 0.000 0.496 352 N N 1.631 120.012 118.700 -0.533 0.000 2.609 352 N HA 0.101 4.840 4.740 -0.002 0.000 0.234 352 N C 0.374 175.652 175.510 -0.386 0.000 1.001 352 N CA -0.274 52.532 53.050 -0.408 0.000 0.926 352 N CB 0.614 38.979 38.487 -0.203 0.000 1.130 352 N HN 0.358 nan 8.380 nan 0.000 0.510 353 Y N 1.677 122.017 120.300 0.067 0.000 2.224 353 Y HA -0.001 4.548 4.550 -0.002 0.000 0.289 353 Y C 2.325 178.333 175.900 0.180 0.000 1.146 353 Y CA 1.446 59.649 58.100 0.171 0.000 1.182 353 Y CB -0.490 38.131 38.460 0.269 0.000 0.983 353 Y HN 0.557 nan 8.280 nan 0.000 0.524 354 G N -0.240 108.662 108.800 0.170 0.000 2.408 354 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.217 354 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.217 354 G C 1.504 176.425 174.900 0.034 0.000 1.150 354 G CA 0.837 45.995 45.100 0.095 0.000 0.776 354 G HN 0.414 nan 8.290 nan 0.000 0.542 355 E N -0.141 120.046 120.200 -0.022 0.000 2.150 355 E HA -0.015 4.333 4.350 -0.002 0.000 0.193 355 E C 2.472 178.994 176.600 -0.130 0.000 0.985 355 E CA 0.312 56.669 56.400 -0.072 0.000 0.814 355 E CB -0.074 29.564 29.700 -0.102 0.000 0.752 355 E HN 0.474 nan 8.360 nan 0.000 0.466 356 I N 1.061 121.544 120.570 -0.145 0.000 2.202 356 I HA -0.250 3.919 4.170 -0.002 0.000 0.242 356 I C 2.541 178.448 176.117 -0.351 0.000 1.091 356 I CA 0.945 62.050 61.300 -0.324 0.000 1.368 356 I CB -0.243 37.623 38.000 -0.224 0.000 1.058 356 I HN 0.060 nan 8.210 nan 0.000 0.410 357 A N 0.379 123.239 122.820 0.067 0.000 1.933 357 A HA -0.227 4.091 4.320 -0.002 0.000 0.218 357 A C 2.323 179.959 177.584 0.087 0.000 1.175 357 A CA 1.546 53.704 52.037 0.201 0.000 0.628 357 A CB -0.445 18.648 19.000 0.155 0.000 0.814 357 A HN 0.295 nan 8.150 nan 0.000 0.444 358 K N -0.212 120.192 120.400 0.008 0.000 2.057 358 K HA -0.119 4.200 4.320 -0.002 0.000 0.207 358 K C 1.792 178.403 176.600 0.019 0.000 1.049 358 K CA 1.684 57.980 56.287 0.016 0.000 0.931 358 K CB -0.421 32.074 32.500 -0.007 0.000 0.714 358 K HN 0.803 nan 8.250 nan 0.000 0.440 359 I N -2.352 118.173 120.570 -0.075 0.000 3.176 359 I HA -0.076 4.093 4.170 -0.002 0.000 0.275 359 I C 0.668 176.882 176.117 0.162 0.000 1.298 359 I CA 0.857 62.139 61.300 -0.031 0.000 1.445 359 I CB -0.111 37.819 38.000 -0.116 0.000 1.075 359 I HN -0.114 nan 8.210 nan 0.000 0.482 360 F N 1.642 121.670 119.950 0.130 0.000 2.693 360 F HA 0.325 4.851 4.527 -0.002 0.000 0.303 360 F C 2.135 178.037 175.800 0.170 0.000 1.097 360 F CA -0.321 57.785 58.000 0.177 0.000 1.330 360 F CB -0.668 38.500 39.000 0.280 0.000 1.067 360 F HN 0.004 nan 8.300 nan 0.000 0.565 361 R N 0.198 120.869 120.500 0.285 0.000 2.189 361 R HA 0.261 4.600 4.340 -0.002 0.000 0.218 361 R C 0.686 177.086 176.300 0.168 0.000 1.074 361 R CA 0.853 57.076 56.100 0.205 0.000 0.991 361 R CB 0.064 30.445 30.300 0.135 0.000 0.883 361 R HN 0.174 nan 8.270 nan 0.000 0.457 362 A N -1.883 121.028 122.820 0.153 0.000 2.583 362 A HA 0.624 4.943 4.320 -0.002 0.000 0.289 362 A C 0.500 178.135 177.584 0.085 0.000 1.151 362 A CA -0.169 51.929 52.037 0.101 0.000 0.695 362 A CB 1.050 20.094 19.000 0.074 0.000 1.290 362 A HN 0.157 nan 8.150 nan 0.000 0.419 363 G N -1.051 107.763 108.800 0.023 0.000 4.655 363 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.220 363 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.220 363 G C 1.368 176.230 174.900 -0.063 0.000 1.403 363 G CA 0.895 45.987 45.100 -0.013 0.000 0.931 363 G HN 2.539 nan 8.290 nan 0.000 0.654 364 C N 1.771 121.064 119.300 -0.010 0.000 2.705 364 C HA 0.675 5.134 4.460 -0.002 0.000 0.365 364 C C 2.235 177.219 174.990 -0.009 0.000 1.353 364 C CA -0.232 58.750 59.018 -0.060 0.000 2.339 364 C CB -0.251 27.424 27.740 -0.109 0.000 2.576 364 C HN 0.538 nan 8.230 nan 0.000 0.716 365 I N 1.736 122.372 120.570 0.111 0.000 2.394 365 I HA -0.095 4.073 4.170 -0.002 0.000 0.251 365 I C 2.169 178.440 176.117 0.258 0.000 1.136 365 I CA 1.604 63.005 61.300 0.167 0.000 1.425 365 I CB -1.008 37.147 38.000 0.258 0.000 1.079 365 I HN 0.846 nan 8.210 nan 0.000 0.425 366 I N 0.395 121.113 120.570 0.248 0.000 3.646 366 I HA 0.040 4.209 4.170 -0.002 0.000 0.301 366 I C 1.231 177.510 176.117 0.270 0.000 1.276 366 I CA -0.336 61.079 61.300 0.192 0.000 1.254 366 I CB -0.598 37.420 38.000 0.031 0.000 1.020 366 I HN 0.120 nan 8.210 nan 0.000 0.473 367 R N 2.366 123.013 120.500 0.244 0.000 2.640 367 R HA 0.539 4.877 4.340 -0.002 0.000 0.270 367 R C -0.452 176.005 176.300 0.263 0.000 1.024 367 R CA 0.445 56.691 56.100 0.244 0.000 1.085 367 R CB 0.156 30.554 30.300 0.164 0.000 0.963 367 R HN 0.351 nan 8.270 nan 0.000 0.426 368 A N 2.119 125.094 122.820 0.259 0.000 2.569 368 A HA 0.063 4.382 4.320 -0.002 0.000 0.292 368 A C 0.215 177.940 177.584 0.235 0.000 1.032 368 A CA -0.427 51.760 52.037 0.251 0.000 0.669 368 A CB 1.097 20.270 19.000 0.289 0.000 1.290 368 A HN 0.905 nan 8.150 nan 0.000 0.422 369 Q N 0.290 120.211 119.800 0.201 0.000 2.291 369 Q HA -0.151 4.188 4.340 -0.002 0.000 0.206 369 Q C 1.238 177.341 176.000 0.171 0.000 0.976 369 Q CA 2.073 57.967 55.803 0.151 0.000 0.875 369 Q CB -0.468 28.337 28.738 0.112 0.000 0.927 369 Q HN 0.910 nan 8.270 nan 0.000 0.450 370 F N 1.733 121.734 119.950 0.085 0.000 2.154 370 F HA -0.209 4.317 4.527 -0.002 0.000 0.301 370 F C 1.670 177.490 175.800 0.034 0.000 1.087 370 F CA 1.175 59.217 58.000 0.070 0.000 1.274 370 F CB -0.051 38.976 39.000 0.044 0.000 1.009 370 F HN 0.102 nan 8.300 nan 0.000 0.485 371 L N 0.018 121.310 121.223 0.115 0.000 2.275 371 L HA -0.191 4.148 4.340 -0.002 0.000 0.215 371 L C 2.300 179.154 176.870 -0.028 0.000 1.119 371 L CA 1.487 56.362 54.840 0.058 0.000 0.790 371 L CB -1.564 40.654 42.059 0.264 0.000 0.919 371 L HN 0.303 nan 8.230 nan 0.000 0.443 372 Q N 0.160 119.942 119.800 -0.029 0.000 2.167 372 Q HA -0.155 4.184 4.340 -0.002 0.000 0.202 372 Q C 2.091 177.993 176.000 -0.163 0.000 0.970 372 Q CA 1.307 57.070 55.803 -0.067 0.000 0.855 372 Q CB 0.155 28.864 28.738 -0.048 0.000 0.911 372 Q HN 0.165 nan 8.270 nan 0.000 0.438 373 K N 0.135 120.373 120.400 -0.271 0.000 2.097 373 K HA -0.092 4.227 4.320 -0.002 0.000 0.206 373 K C 2.042 178.539 176.600 -0.172 0.000 1.049 373 K CA 1.253 57.286 56.287 -0.424 0.000 0.933 373 K CB -0.331 31.746 32.500 -0.704 0.000 0.717 373 K HN 0.374 nan 8.250 nan 0.000 0.442 374 I N 0.840 121.309 120.570 -0.168 0.000 2.233 374 I HA -0.210 3.958 4.170 -0.002 0.000 0.243 374 I C 2.108 178.152 176.117 -0.123 0.000 1.093 374 I CA 1.103 62.299 61.300 -0.173 0.000 1.380 374 I CB -0.637 37.085 38.000 -0.463 0.000 1.067 374 I HN 0.104 nan 8.210 nan 0.000 0.413 375 T N 0.470 114.969 114.554 -0.091 0.000 2.665 375 T HA -0.218 4.131 4.350 -0.002 0.000 0.268 375 T C 1.485 176.167 174.700 -0.030 0.000 1.035 375 T CA 1.846 63.924 62.100 -0.035 0.000 1.151 375 T CB -0.342 68.514 68.868 -0.020 0.000 0.862 375 T HN 0.307 nan 8.240 nan 0.000 0.438 376 D N 1.003 121.369 120.400 -0.057 0.000 2.144 376 D HA 0.047 4.686 4.640 -0.002 0.000 0.200 376 D C 2.339 178.626 176.300 -0.021 0.000 0.978 376 D CA 1.110 55.079 54.000 -0.052 0.000 0.833 376 D CB -0.485 40.255 40.800 -0.100 0.000 0.961 376 D HN 0.417 nan 8.370 nan 0.000 0.470 377 A N 0.228 123.051 122.820 0.004 0.000 1.930 377 A HA -0.164 4.154 4.320 -0.002 0.000 0.217 377 A C 2.466 180.080 177.584 0.050 0.000 1.175 377 A CA 1.152 53.225 52.037 0.061 0.000 0.627 377 A CB -0.823 18.289 19.000 0.185 0.000 0.815 377 A HN 0.343 nan 8.150 nan 0.000 0.443 378 C N -1.078 118.244 119.300 0.037 0.000 2.457 378 C HA 0.155 4.614 4.460 -0.002 0.000 0.278 378 C C 3.279 178.307 174.990 0.063 0.000 1.309 378 C CA 0.481 59.541 59.018 0.069 0.000 1.735 378 C CB -1.272 26.532 27.740 0.105 0.000 1.992 378 C HN 0.703 nan 8.230 nan 0.000 0.493 379 A N 0.749 123.591 122.820 0.037 0.000 1.902 379 A HA -0.174 4.144 4.320 -0.002 0.000 0.217 379 A C 2.083 179.684 177.584 0.029 0.000 1.181 379 A CA 1.632 53.686 52.037 0.028 0.000 0.623 379 A CB -0.411 18.596 19.000 0.011 0.000 0.818 379 A HN 0.559 nan 8.150 nan 0.000 0.443 380 E N -0.495 119.721 120.200 0.027 0.000 2.152 380 E HA -0.085 4.264 4.350 -0.002 0.000 0.192 380 E C 0.104 176.726 176.600 0.037 0.000 0.983 380 E CA 0.735 57.151 56.400 0.027 0.000 0.818 380 E CB -0.119 29.595 29.700 0.023 0.000 0.758 380 E HN 0.550 nan 8.360 nan 0.000 0.467 381 N N -0.465 118.265 118.700 0.049 0.000 2.685 381 N HA 0.141 4.880 4.740 -0.002 0.000 0.252 381 N C -2.470 173.085 175.510 0.076 0.000 1.261 381 N CA -1.728 51.356 53.050 0.056 0.000 0.768 381 N CB 1.278 39.797 38.487 0.054 0.000 1.304 381 N HN -0.293 nan 8.380 nan 0.000 0.536 382 P HA -0.088 nan 4.420 nan 0.000 0.218 382 P C 0.252 177.658 177.300 0.177 0.000 1.146 382 P CA 1.274 64.453 63.100 0.131 0.000 0.813 382 P CB 0.380 32.142 31.700 0.103 0.000 0.778 383 Q N -0.997 118.874 119.800 0.119 0.000 2.165 383 Q HA 0.221 4.560 4.340 -0.002 0.000 0.245 383 Q C 0.447 176.476 176.000 0.050 0.000 0.841 383 Q CA -0.672 55.194 55.803 0.105 0.000 1.078 383 Q CB -0.193 28.601 28.738 0.094 0.000 1.169 383 Q HN 0.357 nan 8.270 nan 0.000 0.475 384 I N 0.701 121.300 120.570 0.048 0.000 2.845 384 I HA -0.185 3.983 4.170 -0.002 0.000 0.296 384 I C 1.144 177.262 176.117 0.000 0.000 1.216 384 I CA 0.272 61.591 61.300 0.032 0.000 1.438 384 I CB 0.917 38.940 38.000 0.039 0.000 1.342 384 I HN 0.241 nan 8.210 nan 0.000 0.577 385 A N 6.429 129.264 122.820 0.026 0.000 1.970 385 A HA 0.019 4.337 4.320 -0.002 0.000 0.216 385 A C 0.860 178.462 177.584 0.030 0.000 1.170 385 A CA 0.840 52.894 52.037 0.028 0.000 0.645 385 A CB -0.179 18.865 19.000 0.073 0.000 0.816 385 A HN 0.824 nan 8.150 nan 0.000 0.447 386 N N -0.859 117.868 118.700 0.045 0.000 2.406 386 N HA 0.253 4.992 4.740 -0.002 0.000 0.283 386 N C 0.070 175.574 175.510 -0.010 0.000 1.074 386 N CA -0.377 52.674 53.050 0.002 0.000 0.916 386 N CB 1.238 39.723 38.487 -0.004 0.000 1.639 386 N HN 0.029 nan 8.380 nan 0.000 0.485 387 L N 2.674 123.839 121.223 -0.095 0.000 2.261 387 L HA -0.107 4.232 4.340 -0.002 0.000 0.216 387 L C 2.095 178.928 176.870 -0.061 0.000 1.114 387 L CA 1.046 55.776 54.840 -0.184 0.000 0.777 387 L CB -0.082 41.642 42.059 -0.558 0.000 0.910 387 L HN 0.570 nan 8.230 nan 0.000 0.440 388 L N -0.565 120.655 121.223 -0.005 0.000 2.265 388 L HA -0.200 4.138 4.340 -0.002 0.000 0.215 388 L C 2.187 179.164 176.870 0.178 0.000 1.117 388 L CA 0.898 55.814 54.840 0.127 0.000 0.782 388 L CB -0.273 41.883 42.059 0.161 0.000 0.914 388 L HN 0.333 nan 8.230 nan 0.000 0.441 389 L N -0.574 120.740 121.223 0.153 0.000 2.418 389 L HA 0.101 4.439 4.340 -0.002 0.000 0.218 389 L C 1.356 178.308 176.870 0.137 0.000 1.125 389 L CA -0.393 54.530 54.840 0.138 0.000 0.835 389 L CB -0.523 41.606 42.059 0.118 0.000 0.953 389 L HN 0.105 nan 8.230 nan 0.000 0.454 390 A N 0.545 123.478 122.820 0.189 0.000 2.440 390 A HA 0.272 4.591 4.320 -0.002 0.000 0.251 390 A C -1.440 176.239 177.584 0.157 0.000 1.089 390 A CA -1.078 51.077 52.037 0.196 0.000 0.779 390 A CB 0.138 19.330 19.000 0.321 0.000 1.022 390 A HN -0.036 nan 8.150 nan 0.000 0.492 391 P HA -0.257 nan 4.420 nan 0.000 0.216 391 P C 1.246 178.534 177.300 -0.020 0.000 1.154 391 P CA 1.815 64.935 63.100 0.033 0.000 0.865 391 P CB -0.095 31.619 31.700 0.024 0.000 0.789 392 Y N -0.632 119.562 120.300 -0.176 0.000 2.145 392 Y HA -0.226 4.322 4.550 -0.002 0.000 0.286 392 Y C 2.031 177.716 175.900 -0.358 0.000 1.145 392 Y CA 1.619 59.513 58.100 -0.344 0.000 1.148 392 Y CB -1.085 37.008 38.460 -0.612 0.000 0.981 392 Y HN -0.176 nan 8.280 nan 0.000 0.507 393 F N 0.694 120.575 119.950 -0.116 0.000 2.186 393 F HA -0.098 4.427 4.527 -0.002 0.000 0.299 393 F C 2.536 178.238 175.800 -0.162 0.000 1.090 393 F CA 1.617 59.509 58.000 -0.180 0.000 1.307 393 F CB -0.763 38.226 39.000 -0.018 0.000 1.019 393 F HN -0.040 nan 8.300 nan 0.000 0.489 394 K N 0.954 121.404 120.400 0.083 0.000 2.063 394 K HA -0.215 4.104 4.320 -0.002 0.000 0.208 394 K C 1.864 178.438 176.600 -0.044 0.000 1.048 394 K CA 1.761 58.085 56.287 0.062 0.000 0.928 394 K CB -0.412 32.132 32.500 0.072 0.000 0.713 394 K HN 0.366 nan 8.250 nan 0.000 0.442 395 Q N -0.031 119.685 119.800 -0.139 0.000 2.172 395 Q HA -0.041 4.297 4.340 -0.002 0.000 0.200 395 Q C 2.119 177.944 176.000 -0.291 0.000 0.964 395 Q CA 0.849 56.541 55.803 -0.185 0.000 0.855 395 Q CB 0.044 28.672 28.738 -0.182 0.000 0.918 395 Q HN 0.265 nan 8.270 nan 0.000 0.444 396 I N 0.722 121.026 120.570 -0.443 0.000 2.226 396 I HA -0.223 3.946 4.170 -0.002 0.000 0.245 396 I C 2.311 178.197 176.117 -0.385 0.000 1.100 396 I CA 1.247 62.206 61.300 -0.569 0.000 1.374 396 I CB -1.358 36.290 38.000 -0.586 0.000 1.057 396 I HN 0.134 nan 8.210 nan 0.000 0.413 397 A N 0.645 123.332 122.820 -0.221 0.000 1.933 397 A HA -0.213 4.105 4.320 -0.002 0.000 0.218 397 A C 1.971 179.454 177.584 -0.168 0.000 1.175 397 A CA 1.845 53.761 52.037 -0.203 0.000 0.628 397 A CB -0.554 18.373 19.000 -0.122 0.000 0.814 397 A HN 0.354 nan 8.150 nan 0.000 0.444 398 D N 0.382 120.721 120.400 -0.100 0.000 2.097 398 D HA -0.128 4.510 4.640 -0.002 0.000 0.195 398 D C 1.240 177.507 176.300 -0.056 0.000 0.989 398 D CA 1.544 55.513 54.000 -0.052 0.000 0.827 398 D CB -0.387 40.390 40.800 -0.039 0.000 0.966 398 D HN 0.406 nan 8.370 nan 0.000 0.456 399 D N -0.794 119.547 120.400 -0.098 0.000 2.183 399 D HA -0.102 4.537 4.640 -0.002 0.000 0.203 399 D C 1.463 177.880 176.300 0.194 0.000 0.969 399 D CA 0.750 54.745 54.000 -0.009 0.000 0.842 399 D CB -0.084 40.652 40.800 -0.107 0.000 0.957 399 D HN 0.303 nan 8.370 nan 0.000 0.484 400 Y N 0.876 121.107 120.300 -0.115 0.000 2.444 400 Y HA 0.114 4.663 4.550 -0.002 0.000 0.249 400 Y C 2.113 177.914 175.900 -0.165 0.000 1.134 400 Y CA -0.228 57.793 58.100 -0.132 0.000 1.261 400 Y CB -0.410 37.977 38.460 -0.122 0.000 1.143 400 Y HN 0.100 nan 8.280 nan 0.000 0.523 401 Q N -0.187 119.589 119.800 -0.040 0.000 2.170 401 Q HA -0.251 4.087 4.340 -0.002 0.000 0.203 401 Q C 1.736 177.689 176.000 -0.079 0.000 0.976 401 Q CA 1.727 57.448 55.803 -0.137 0.000 0.858 401 Q CB -0.186 28.398 28.738 -0.256 0.000 0.907 401 Q HN 0.237 nan 8.270 nan 0.000 0.433 402 Q N 1.114 120.890 119.800 -0.041 0.000 2.119 402 Q HA -0.031 4.308 4.340 -0.002 0.000 0.201 402 Q C 2.049 178.016 176.000 -0.054 0.000 0.972 402 Q CA 1.880 57.664 55.803 -0.032 0.000 0.847 402 Q CB -0.475 28.254 28.738 -0.015 0.000 0.903 402 Q HN 0.515 nan 8.270 nan 0.000 0.433 403 A N 0.181 122.949 122.820 -0.086 0.000 1.902 403 A HA -0.145 4.174 4.320 -0.002 0.000 0.217 403 A C 1.982 179.480 177.584 -0.144 0.000 1.181 403 A CA 1.498 53.450 52.037 -0.142 0.000 0.623 403 A CB -0.881 17.980 19.000 -0.231 0.000 0.818 403 A HN 0.475 nan 8.150 nan 0.000 0.443 404 L N -0.034 121.101 121.223 -0.148 0.000 2.017 404 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 404 L C 2.430 179.262 176.870 -0.063 0.000 1.073 404 L CA 2.029 56.774 54.840 -0.159 0.000 0.745 404 L CB -0.611 41.339 42.059 -0.182 0.000 0.894 404 L HN 0.360 nan 8.230 nan 0.000 0.432 405 R N -0.449 120.028 120.500 -0.038 0.000 2.081 405 R HA -0.146 4.192 4.340 -0.002 0.000 0.235 405 R C 1.932 178.249 176.300 0.029 0.000 1.131 405 R CA 1.487 57.593 56.100 0.011 0.000 0.960 405 R CB -0.562 29.746 30.300 0.014 0.000 0.856 405 R HN 0.429 nan 8.270 nan 0.000 0.436 406 D N 0.133 120.537 120.400 0.006 0.000 2.117 406 D HA -0.116 4.522 4.640 -0.002 0.000 0.197 406 D C 1.970 178.308 176.300 0.063 0.000 0.987 406 D CA 1.005 55.021 54.000 0.027 0.000 0.829 406 D CB -0.203 40.588 40.800 -0.015 0.000 0.961 406 D HN -0.010 nan 8.370 nan 0.000 0.460 407 V N 0.549 120.471 119.914 0.014 0.000 2.343 407 V HA -0.191 3.928 4.120 -0.002 0.000 0.247 407 V C 2.615 178.826 176.094 0.195 0.000 1.051 407 V CA 0.993 63.333 62.300 0.067 0.000 1.036 407 V CB -0.343 31.490 31.823 0.018 0.000 0.654 407 V HN 0.060 nan 8.190 nan 0.000 0.451 408 V N 0.195 120.207 119.914 0.162 0.000 2.358 408 V HA -0.235 3.884 4.120 -0.002 0.000 0.246 408 V C 2.682 178.854 176.094 0.131 0.000 1.047 408 V CA 1.956 64.357 62.300 0.169 0.000 1.035 408 V CB -1.037 30.872 31.823 0.144 0.000 0.658 408 V HN 0.559 nan 8.190 nan 0.000 0.452 409 A N -0.843 122.047 122.820 0.117 0.000 1.902 409 A HA -0.278 4.040 4.320 -0.002 0.000 0.217 409 A C 2.168 179.814 177.584 0.103 0.000 1.181 409 A CA 2.131 54.225 52.037 0.094 0.000 0.623 409 A CB -0.801 18.252 19.000 0.088 0.000 0.818 409 A HN 0.648 nan 8.150 nan 0.000 0.443 410 Y N 0.660 121.001 120.300 0.068 0.000 2.145 410 Y HA -0.105 4.443 4.550 -0.002 0.000 0.286 410 Y C 2.625 178.582 175.900 0.095 0.000 1.145 410 Y CA 1.376 59.533 58.100 0.095 0.000 1.148 410 Y CB -0.528 38.019 38.460 0.143 0.000 0.981 410 Y HN 0.304 nan 8.280 nan 0.000 0.507 411 A N -0.599 122.288 122.820 0.111 0.000 1.902 411 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 411 A C 2.342 179.885 177.584 -0.069 0.000 1.181 411 A CA 2.005 54.055 52.037 0.021 0.000 0.623 411 A CB -1.334 17.741 19.000 0.124 0.000 0.818 411 A HN 0.347 nan 8.150 nan 0.000 0.443 412 V N 0.077 119.977 119.914 -0.023 0.000 2.407 412 V HA -0.236 3.882 4.120 -0.002 0.000 0.248 412 V C 2.643 178.695 176.094 -0.071 0.000 1.055 412 V CA 1.971 64.254 62.300 -0.028 0.000 1.049 412 V CB -0.662 31.166 31.823 0.008 0.000 0.662 412 V HN 0.549 nan 8.190 nan 0.000 0.455 413 Q N -0.184 119.551 119.800 -0.109 0.000 2.297 413 Q HA -0.070 4.269 4.340 -0.002 0.000 0.204 413 Q C 1.791 177.680 176.000 -0.185 0.000 0.962 413 Q CA 1.016 56.744 55.803 -0.126 0.000 0.879 413 Q CB -0.397 28.272 28.738 -0.115 0.000 0.947 413 Q HN 0.729 nan 8.270 nan 0.000 0.462 414 N N -0.570 117.954 118.700 -0.293 0.000 2.353 414 N HA 0.041 4.780 4.740 -0.002 0.000 0.185 414 N C 0.656 176.078 175.510 -0.148 0.000 1.098 414 N CA 0.531 53.412 53.050 -0.281 0.000 0.872 414 N CB 0.717 38.917 38.487 -0.478 0.000 0.970 414 N HN 0.283 nan 8.380 nan 0.000 0.467 415 G N 1.782 110.518 108.800 -0.108 0.000 2.143 415 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.248 415 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.248 415 G C -0.018 174.852 174.900 -0.050 0.000 0.991 415 G CA -0.156 44.906 45.100 -0.064 0.000 0.689 415 G HN 0.278 nan 8.290 nan 0.000 0.522 416 I N 2.609 123.149 120.570 -0.050 0.000 2.304 416 I HA 0.284 4.453 4.170 -0.002 0.000 0.291 416 I C -1.598 174.504 176.117 -0.024 0.000 1.018 416 I CA -2.321 58.963 61.300 -0.027 0.000 1.260 416 I CB 1.444 39.451 38.000 0.011 0.000 1.390 416 I HN -0.075 nan 8.210 nan 0.000 0.475 417 P HA 0.056 nan 4.420 nan 0.000 0.271 417 P C -0.381 176.890 177.300 -0.048 0.000 1.226 417 P CA -0.034 63.050 63.100 -0.026 0.000 0.765 417 P CB 1.086 32.774 31.700 -0.020 0.000 0.835 418 V N 1.568 121.463 119.914 -0.032 0.000 2.405 418 V HA 0.240 4.359 4.120 -0.002 0.000 0.253 418 V C -1.781 174.318 176.094 0.008 0.000 0.963 418 V CA -1.744 60.510 62.300 -0.078 0.000 1.003 418 V CB 1.026 32.818 31.823 -0.052 0.000 1.251 418 V HN 0.276 nan 8.190 nan 0.000 0.520 419 P HA -0.161 nan 4.420 nan 0.000 0.215 419 P C 1.672 179.033 177.300 0.100 0.000 1.153 419 P CA 2.604 65.742 63.100 0.063 0.000 0.853 419 P CB 0.085 31.822 31.700 0.062 0.000 0.788 420 T N -4.207 110.409 114.554 0.102 0.000 2.896 420 T HA -0.039 4.309 4.350 -0.002 0.000 0.263 420 T C 1.757 176.648 174.700 0.318 0.000 1.050 420 T CA 0.584 62.788 62.100 0.174 0.000 1.140 420 T CB -1.062 67.906 68.868 0.165 0.000 0.877 420 T HN -0.194 nan 8.240 nan 0.000 0.457 421 F N 2.358 122.341 119.950 0.055 0.000 2.186 421 F HA 0.134 4.660 4.527 -0.002 0.000 0.299 421 F C 2.942 178.777 175.800 0.058 0.000 1.090 421 F CA -0.123 57.906 58.000 0.049 0.000 1.307 421 F CB -1.274 37.752 39.000 0.044 0.000 1.019 421 F HN 0.184 nan 8.300 nan 0.000 0.489 422 S N 0.163 116.019 115.700 0.260 0.000 2.348 422 S HA -0.181 4.287 4.470 -0.002 0.000 0.221 422 S C 2.404 177.100 174.600 0.160 0.000 1.033 422 S CA 1.232 59.535 58.200 0.172 0.000 1.010 422 S CB -0.723 62.554 63.200 0.127 0.000 0.891 422 S HN 0.341 nan 8.310 nan 0.000 0.442 423 A N 1.417 124.332 122.820 0.158 0.000 1.933 423 A HA 0.078 4.397 4.320 -0.002 0.000 0.218 423 A C 2.322 180.011 177.584 0.174 0.000 1.175 423 A CA 1.757 53.884 52.037 0.150 0.000 0.628 423 A CB -1.020 18.052 19.000 0.119 0.000 0.814 423 A HN 0.520 nan 8.150 nan 0.000 0.444 424 A N -0.556 122.362 122.820 0.165 0.000 1.902 424 A HA 0.001 4.319 4.320 -0.002 0.000 0.217 424 A C 2.225 179.938 177.584 0.215 0.000 1.181 424 A CA 1.778 53.914 52.037 0.165 0.000 0.623 424 A CB -0.906 18.146 19.000 0.086 0.000 0.818 424 A HN 0.389 nan 8.150 nan 0.000 0.443 425 V N -0.153 119.861 119.914 0.168 0.000 2.343 425 V HA -0.240 3.878 4.120 -0.002 0.000 0.247 425 V C 3.044 179.267 176.094 0.214 0.000 1.051 425 V CA 1.945 64.350 62.300 0.175 0.000 1.036 425 V CB -1.216 30.682 31.823 0.125 0.000 0.654 425 V HN 0.610 nan 8.190 nan 0.000 0.451 426 A N -1.062 121.872 122.820 0.190 0.000 1.933 426 A HA -0.252 4.066 4.320 -0.002 0.000 0.218 426 A C 2.155 179.863 177.584 0.205 0.000 1.175 426 A CA 1.995 54.134 52.037 0.170 0.000 0.628 426 A CB -0.699 18.391 19.000 0.150 0.000 0.814 426 A HN 0.663 nan 8.150 nan 0.000 0.444 427 Y N -1.474 118.901 120.300 0.125 0.000 2.184 427 Y HA -0.211 4.338 4.550 -0.002 0.000 0.290 427 Y C 2.199 178.192 175.900 0.156 0.000 1.129 427 Y CA 1.894 60.066 58.100 0.121 0.000 1.144 427 Y CB -0.611 37.905 38.460 0.094 0.000 0.995 427 Y HN 0.397 nan 8.280 nan 0.000 0.513 428 Y N 1.217 121.591 120.300 0.124 0.000 2.165 428 Y HA -0.241 4.308 4.550 -0.002 0.000 0.286 428 Y C 1.979 177.873 175.900 -0.012 0.000 1.155 428 Y CA 2.271 60.391 58.100 0.033 0.000 1.164 428 Y CB -0.509 38.007 38.460 0.092 0.000 0.978 428 Y HN 0.169 nan 8.280 nan 0.000 0.513 429 D N -1.166 119.273 120.400 0.065 0.000 2.269 429 D HA -0.089 4.549 4.640 -0.002 0.000 0.208 429 D C 2.144 178.393 176.300 -0.086 0.000 0.963 429 D CA 1.234 55.224 54.000 -0.016 0.000 0.864 429 D CB 0.065 40.917 40.800 0.087 0.000 0.936 429 D HN 0.323 nan 8.370 nan 0.000 0.505 430 S N -0.439 115.211 115.700 -0.084 0.000 2.421 430 S HA -0.081 4.388 4.470 -0.002 0.000 0.224 430 S C 1.726 176.226 174.600 -0.167 0.000 1.035 430 S CA -0.080 58.066 58.200 -0.091 0.000 0.953 430 S CB -0.094 63.090 63.200 -0.026 0.000 0.810 430 S HN 0.267 nan 8.310 nan 0.000 0.497 431 Y N 3.393 123.429 120.300 -0.440 0.000 2.293 431 Y HA -0.078 4.471 4.550 -0.002 0.000 0.291 431 Y C 2.219 177.917 175.900 -0.336 0.000 1.137 431 Y CA 1.351 59.176 58.100 -0.459 0.000 1.202 431 Y CB -0.070 37.944 38.460 -0.744 0.000 0.990 431 Y HN 0.198 nan 8.280 nan 0.000 0.537 432 R N -0.014 120.270 120.500 -0.360 0.000 2.310 432 R HA 0.379 4.717 4.340 -0.002 0.000 0.202 432 R C 0.274 176.422 176.300 -0.253 0.000 0.933 432 R CA 0.491 56.381 56.100 -0.350 0.000 1.054 432 R CB -0.192 29.858 30.300 -0.415 0.000 0.985 432 R HN 0.151 nan 8.270 nan 0.000 0.489 433 A N 1.091 123.780 122.820 -0.218 0.000 2.302 433 A HA 0.580 4.898 4.320 -0.002 0.000 0.295 433 A C 1.062 178.560 177.584 -0.143 0.000 1.235 433 A CA -0.038 51.912 52.037 -0.145 0.000 0.876 433 A CB 0.907 19.844 19.000 -0.104 0.000 1.133 433 A HN 0.416 nan 8.150 nan 0.000 0.533 434 A N 2.680 125.430 122.820 -0.116 0.000 2.014 434 A HA 0.288 4.607 4.320 -0.002 0.000 0.218 434 A C 0.933 178.473 177.584 -0.075 0.000 1.163 434 A CA 1.561 53.537 52.037 -0.101 0.000 0.652 434 A CB -0.100 18.853 19.000 -0.079 0.000 0.808 434 A HN 1.393 nan 8.150 nan 0.000 0.449 435 V N 0.247 120.124 119.914 -0.062 0.000 2.638 435 V HA 0.614 4.732 4.120 -0.002 0.000 0.306 435 V C -1.053 175.017 176.094 -0.041 0.000 1.052 435 V CA -0.803 61.471 62.300 -0.045 0.000 0.885 435 V CB 1.698 33.502 31.823 -0.033 0.000 0.999 435 V HN 0.347 nan 8.190 nan 0.000 0.424 436 L N 6.870 128.074 121.223 -0.033 0.000 2.286 436 L HA 0.666 5.005 4.340 -0.002 0.000 0.265 436 L C -1.611 175.249 176.870 -0.018 0.000 1.012 436 L CA -1.736 53.089 54.840 -0.025 0.000 0.818 436 L CB 2.779 44.825 42.059 -0.022 0.000 1.337 436 L HN 0.470 nan 8.230 nan 0.000 0.438 437 P HA 0.025 nan 4.420 nan 0.000 0.256 437 P C 0.607 177.897 177.300 -0.017 0.000 1.335 437 P CA 0.192 63.283 63.100 -0.016 0.000 0.808 437 P CB 0.330 32.022 31.700 -0.013 0.000 1.305 438 A N 1.881 124.695 122.820 -0.010 0.000 2.125 438 A HA -0.187 4.132 4.320 -0.002 0.000 0.219 438 A C 2.123 179.698 177.584 -0.015 0.000 1.156 438 A CA 1.316 53.349 52.037 -0.006 0.000 0.671 438 A CB -1.083 17.920 19.000 0.005 0.000 0.794 438 A HN 0.335 nan 8.150 nan 0.000 0.459 439 N N 0.629 119.316 118.700 -0.021 0.000 2.104 439 N HA -0.192 4.547 4.740 -0.002 0.000 0.190 439 N C 1.518 176.985 175.510 -0.071 0.000 1.024 439 N CA 1.792 54.822 53.050 -0.034 0.000 0.853 439 N CB -0.796 37.672 38.487 -0.032 0.000 1.008 439 N HN 0.398 nan 8.380 nan 0.000 0.424 440 L N 0.830 122.009 121.223 -0.073 0.000 2.056 440 L HA 0.123 4.462 4.340 -0.002 0.000 0.207 440 L C 2.324 179.124 176.870 -0.117 0.000 1.078 440 L CA 1.064 55.837 54.840 -0.111 0.000 0.749 440 L CB -0.555 41.453 42.059 -0.086 0.000 0.901 440 L HN 0.116 nan 8.230 nan 0.000 0.433 441 I N -0.785 119.746 120.570 -0.065 0.000 2.226 441 I HA -0.286 3.883 4.170 -0.002 0.000 0.245 441 I C 2.462 178.538 176.117 -0.069 0.000 1.100 441 I CA 0.956 62.228 61.300 -0.046 0.000 1.374 441 I CB -0.394 37.601 38.000 -0.008 0.000 1.057 441 I HN 0.373 nan 8.210 nan 0.000 0.413 442 Q N 0.489 120.261 119.800 -0.048 0.000 2.124 442 Q HA -0.158 4.181 4.340 -0.002 0.000 0.202 442 Q C 2.447 178.414 176.000 -0.054 0.000 0.977 442 Q CA 1.796 57.594 55.803 -0.009 0.000 0.850 442 Q CB -0.383 28.388 28.738 0.056 0.000 0.901 442 Q HN 0.578 nan 8.270 nan 0.000 0.429 443 A N 0.857 123.569 122.820 -0.180 0.000 1.898 443 A HA -0.221 4.098 4.320 -0.002 0.000 0.216 443 A C 2.100 179.396 177.584 -0.480 0.000 1.181 443 A CA 1.445 53.246 52.037 -0.393 0.000 0.620 443 A CB -0.426 18.196 19.000 -0.629 0.000 0.819 443 A HN 0.372 nan 8.150 nan 0.000 0.442 444 Q N -0.589 118.991 119.800 -0.367 0.000 2.050 444 Q HA -0.150 4.189 4.340 -0.002 0.000 0.202 444 Q C 2.325 177.954 176.000 -0.619 0.000 0.980 444 Q CA 1.649 57.243 55.803 -0.349 0.000 0.840 444 Q CB -0.195 28.475 28.738 -0.113 0.000 0.898 444 Q HN 0.612 nan 8.270 nan 0.000 0.424 445 R N 0.427 120.579 120.500 -0.580 0.000 2.105 445 R HA -0.172 4.167 4.340 -0.002 0.000 0.239 445 R C 1.795 177.900 176.300 -0.324 0.000 1.135 445 R CA 1.529 57.186 56.100 -0.738 0.000 0.967 445 R CB -0.191 29.970 30.300 -0.231 0.000 0.861 445 R HN 0.281 nan 8.270 nan 0.000 0.442 446 D N -0.328 120.054 120.400 -0.029 0.000 2.149 446 D HA -0.172 4.466 4.640 -0.002 0.000 0.201 446 D C 1.627 178.099 176.300 0.286 0.000 0.972 446 D CA 0.890 55.054 54.000 0.275 0.000 0.835 446 D CB 0.001 41.185 40.800 0.640 0.000 0.966 446 D HN 0.252 nan 8.370 nan 0.000 0.476 447 Y N -0.142 120.104 120.300 -0.090 0.000 2.109 447 Y HA -0.208 4.341 4.550 -0.002 0.000 0.285 447 Y C 1.911 177.869 175.900 0.097 0.000 1.131 447 Y CA 2.037 60.126 58.100 -0.018 0.000 1.121 447 Y CB -0.326 37.936 38.460 -0.331 0.000 0.987 447 Y HN 0.104 nan 8.280 nan 0.000 0.495 448 F N -1.373 118.816 119.950 0.398 0.000 2.512 448 F HA 0.356 4.882 4.527 -0.002 0.000 0.296 448 F C 1.651 177.550 175.800 0.166 0.000 1.110 448 F CA 0.785 58.954 58.000 0.281 0.000 1.446 448 F CB -0.846 38.261 39.000 0.178 0.000 1.092 448 F HN -0.065 nan 8.300 nan 0.000 0.554 449 G N -1.030 107.852 108.800 0.137 0.000 3.528 449 G HA2 0.413 4.371 3.960 -0.002 0.000 0.266 449 G HA3 0.413 4.371 3.960 -0.002 0.000 0.266 449 G C 0.873 175.571 174.900 -0.337 0.000 1.004 449 G CA -0.022 45.068 45.100 -0.016 0.000 0.853 449 G HN 0.800 nan 8.290 nan 0.000 0.501 450 A N 0.557 123.299 122.820 -0.129 0.000 2.783 450 A HA -0.250 4.069 4.320 -0.002 0.000 0.292 450 A C 1.330 178.757 177.584 -0.260 0.000 1.495 450 A CA 1.201 53.099 52.037 -0.231 0.000 0.787 450 A CB -2.389 16.334 19.000 -0.460 0.000 1.017 450 A HN 0.550 nan 8.150 nan 0.000 0.516 451 H N 0.255 119.336 119.070 0.018 0.000 2.546 451 H HA 0.072 4.626 4.556 -0.002 0.000 0.277 451 H C 1.433 176.796 175.328 0.059 0.000 1.004 451 H CA 2.316 58.378 56.048 0.023 0.000 1.231 451 H CB -0.301 29.469 29.762 0.013 0.000 1.382 451 H HN 1.645 nan 8.280 nan 0.000 0.580 452 T N -1.514 113.172 114.554 0.220 0.000 0.541 452 T HA -0.194 4.154 4.350 -0.002 0.000 0.774 452 T C -0.627 174.224 174.700 0.252 0.000 0.992 452 T CA 0.454 62.656 62.100 0.171 0.000 4.077 452 T CB -1.457 67.423 68.868 0.020 0.000 2.303 452 T HN 0.571 nan 8.240 nan 0.000 0.398 453 Y N -1.010 119.432 120.300 0.236 0.000 2.644 453 Y HA 0.879 5.428 4.550 -0.002 0.000 0.338 453 Y C -0.311 175.745 175.900 0.262 0.000 1.119 453 Y CA -1.666 56.560 58.100 0.211 0.000 1.060 453 Y CB 1.243 39.833 38.460 0.217 0.000 1.294 453 Y HN 0.917 nan 8.280 nan 0.000 0.472 454 K N 1.180 121.813 120.400 0.388 0.000 2.185 454 K HA 0.652 4.971 4.320 -0.002 0.000 0.240 454 K C -0.888 175.929 176.600 0.362 0.000 0.983 454 K CA -1.096 55.390 56.287 0.332 0.000 0.873 454 K CB 1.880 34.504 32.500 0.205 0.000 1.118 454 K HN 0.667 nan 8.250 nan 0.000 0.441 455 R N 0.924 121.560 120.500 0.226 0.000 2.832 455 R HA 0.344 4.683 4.340 -0.002 0.000 0.271 455 R C 1.051 177.387 176.300 0.060 0.000 0.996 455 R CA -0.538 55.615 56.100 0.089 0.000 0.977 455 R CB 1.031 31.248 30.300 -0.138 0.000 1.168 455 R HN 0.674 nan 8.270 nan 0.000 0.482 456 I N -1.785 118.800 120.570 0.024 0.000 3.684 456 I HA 0.095 4.264 4.170 -0.002 0.000 0.304 456 I C 0.199 176.319 176.117 0.004 0.000 1.278 456 I CA 0.558 61.868 61.300 0.017 0.000 1.272 456 I CB 0.016 38.020 38.000 0.006 0.000 1.029 456 I HN 0.516 nan 8.210 nan 0.000 0.458 457 D N 1.332 121.725 120.400 -0.012 0.000 2.500 457 D HA 0.140 4.778 4.640 -0.002 0.000 0.217 457 D C 0.187 176.484 176.300 -0.004 0.000 1.159 457 D CA -0.161 53.830 54.000 -0.015 0.000 0.828 457 D CB 0.300 41.080 40.800 -0.034 0.000 1.039 457 D HN 0.636 nan 8.370 nan 0.000 0.512 458 K N -0.806 119.604 120.400 0.016 0.000 2.597 458 K HA 0.386 4.705 4.320 -0.002 0.000 0.282 458 K C -0.919 175.774 176.600 0.155 0.000 0.975 458 K CA -0.848 55.481 56.287 0.071 0.000 0.867 458 K CB 1.550 34.091 32.500 0.069 0.000 1.465 458 K HN -0.326 nan 8.250 nan 0.000 0.417 459 E N 0.613 120.907 120.200 0.157 0.000 2.374 459 E HA 0.485 4.834 4.350 -0.002 0.000 0.260 459 E C 0.647 177.364 176.600 0.196 0.000 1.101 459 E CA 0.806 57.293 56.400 0.145 0.000 0.907 459 E CB 1.026 30.768 29.700 0.071 0.000 1.014 459 E HN 0.931 nan 8.360 nan 0.000 0.427 460 G N -0.422 108.432 108.800 0.091 0.000 2.566 460 G HA2 -0.096 3.862 3.960 -0.002 0.000 0.599 460 G HA3 -0.096 3.862 3.960 -0.002 0.000 0.599 460 G C -0.488 174.310 174.900 -0.169 0.000 1.292 460 G CA -0.470 44.564 45.100 -0.110 0.000 0.922 460 G HN 0.726 nan 8.290 nan 0.000 0.514 461 V N -2.515 117.128 119.914 -0.452 0.000 2.630 461 V HA 0.955 5.073 4.120 -0.002 0.000 0.305 461 V C -0.185 175.392 176.094 -0.862 0.000 1.046 461 V CA -1.145 60.923 62.300 -0.386 0.000 0.934 461 V CB 1.500 33.194 31.823 -0.215 0.000 1.003 461 V HN 1.139 nan 8.190 nan 0.000 0.451 462 F N 1.643 121.351 119.950 -0.404 0.000 2.588 462 F HA 0.751 5.276 4.527 -0.002 0.000 0.314 462 F C -0.350 175.140 175.800 -0.517 0.000 1.069 462 F CA -0.570 57.124 58.000 -0.509 0.000 0.931 462 F CB 2.079 40.649 39.000 -0.717 0.000 1.260 462 F HN 0.912 nan 8.300 nan 0.000 0.465 463 H N -0.129 118.854 119.070 -0.146 0.000 2.759 463 H HA 0.653 5.208 4.556 -0.002 0.000 0.354 463 H C -1.406 173.945 175.328 0.038 0.000 1.074 463 H CA -0.422 55.627 56.048 0.001 0.000 1.226 463 H CB 1.825 31.580 29.762 -0.011 0.000 1.648 463 H HN 0.569 nan 8.280 nan 0.000 0.529 464 T N 4.273 118.525 114.554 -0.503 0.000 2.912 464 T HA 0.266 4.615 4.350 -0.002 0.000 0.288 464 T C -0.679 173.547 174.700 -0.789 0.000 1.030 464 T CA -0.966 60.741 62.100 -0.654 0.000 1.020 464 T CB 1.218 69.565 68.868 -0.869 0.000 1.056 464 T HN 0.510 nan 8.240 nan 0.000 0.480 465 E N 1.856 121.723 120.200 -0.556 0.000 2.042 465 E HA 0.109 4.458 4.350 -0.002 0.000 0.260 465 E C -0.056 176.355 176.600 -0.316 0.000 0.975 465 E CA -0.196 56.006 56.400 -0.330 0.000 0.799 465 E CB 0.488 30.069 29.700 -0.198 0.000 1.131 465 E HN 0.719 nan 8.360 nan 0.000 0.423 466 W N 2.047 123.214 121.300 -0.222 0.000 2.421 466 W HA -0.080 4.579 4.660 -0.002 0.000 0.270 466 W C 0.886 177.377 176.519 -0.047 0.000 1.233 466 W CA 0.280 57.558 57.345 -0.112 0.000 1.226 466 W CB 0.011 29.441 29.460 -0.049 0.000 1.121 466 W HN 0.293 nan 8.180 nan 0.000 0.579 467 L N 0.000 121.265 121.223 0.071 0.000 2.949 467 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 467 L CA 0.000 54.886 54.840 0.077 0.000 0.813 467 L CB 0.000 42.098 42.059 0.064 0.000 0.961 467 L HN 0.000 nan 8.230 nan 0.000 0.502