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 1n4q_1_L DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.918 176.870 0.081 0.000 1.165 18 L CA 0.000 54.872 54.840 0.053 0.000 0.813 18 L CB 0.000 42.077 42.059 0.030 0.000 0.961 19 D N 0.142 120.587 120.400 0.075 0.000 2.217 19 D HA 0.386 5.027 4.640 0.002 0.000 0.248 19 D C -0.812 175.592 176.300 0.172 0.000 1.008 19 D CA -0.323 53.743 54.000 0.110 0.000 0.914 19 D CB 1.711 42.547 40.800 0.060 0.000 1.182 19 D HN 0.192 nan 8.370 nan 0.000 0.451 20 F N 1.284 121.272 119.950 0.063 0.000 2.438 20 F HA 0.229 4.758 4.527 0.002 0.000 0.360 20 F C -0.373 175.460 175.800 0.056 0.000 1.118 20 F CA -1.228 56.841 58.000 0.115 0.000 1.164 20 F CB 0.393 39.477 39.000 0.139 0.000 1.131 20 F HN 0.130 nan 8.300 nan 0.000 0.527 21 L N 7.953 128.878 121.223 -0.497 0.000 2.533 21 L HA 0.175 4.517 4.340 0.002 0.000 0.239 21 L C 1.932 178.234 176.870 -0.946 0.000 1.376 21 L CA 0.466 54.922 54.840 -0.640 0.000 1.240 21 L CB -1.242 40.445 42.059 -0.619 0.000 1.487 21 L HN 0.700 nan 8.230 nan 0.000 0.419 22 R N 0.322 120.307 120.500 -0.858 0.000 2.113 22 R HA -0.207 4.135 4.340 0.002 0.000 0.244 22 R C 1.208 177.340 176.300 -0.280 0.000 1.142 22 R CA 2.046 57.815 56.100 -0.553 0.000 0.953 22 R CB 0.211 30.445 30.300 -0.109 0.000 0.860 22 R HN 0.462 nan 8.270 nan 0.000 0.438 23 D N -0.283 119.978 120.400 -0.232 0.000 2.144 23 D HA -0.180 4.461 4.640 0.002 0.000 0.199 23 D C 1.961 178.145 176.300 -0.193 0.000 0.984 23 D CA 1.062 54.972 54.000 -0.150 0.000 0.834 23 D CB -0.253 40.476 40.800 -0.118 0.000 0.955 23 D HN 0.308 nan 8.370 nan 0.000 0.465 24 R N -0.142 120.153 120.500 -0.341 0.000 2.092 24 R HA -0.124 4.217 4.340 0.002 0.000 0.231 24 R C 2.109 178.211 176.300 -0.330 0.000 1.119 24 R CA 1.011 56.899 56.100 -0.354 0.000 0.970 24 R CB 0.001 30.018 30.300 -0.472 0.000 0.864 24 R HN 0.282 nan 8.270 nan 0.000 0.440 25 H N -0.603 118.317 119.070 -0.250 0.000 2.423 25 H HA -0.051 4.507 4.556 0.002 0.000 0.297 25 H C 2.146 177.418 175.328 -0.092 0.000 1.075 25 H CA 1.278 57.165 56.048 -0.267 0.000 1.342 25 H CB -0.127 29.478 29.762 -0.263 0.000 1.395 25 H HN 0.054 nan 8.280 nan 0.000 0.530 26 V N 1.345 121.314 119.914 0.093 0.000 2.343 26 V HA -0.207 3.914 4.120 0.002 0.000 0.247 26 V C 2.643 178.807 176.094 0.117 0.000 1.051 26 V CA 1.460 63.859 62.300 0.165 0.000 1.036 26 V CB -0.198 31.678 31.823 0.089 0.000 0.654 26 V HN 0.309 nan 8.190 nan 0.000 0.451 27 R N -0.881 119.637 120.500 0.030 0.000 2.075 27 R HA -0.126 4.215 4.340 0.002 0.000 0.232 27 R C 2.200 178.506 176.300 0.010 0.000 1.126 27 R CA 1.696 57.798 56.100 0.003 0.000 0.963 27 R CB -0.947 29.330 30.300 -0.038 0.000 0.858 27 R HN 0.567 nan 8.270 nan 0.000 0.435 28 F N 0.775 120.643 119.950 -0.137 0.000 2.069 28 F HA -0.215 4.313 4.527 0.002 0.000 0.298 28 F C 2.046 177.791 175.800 -0.092 0.000 1.113 28 F CA 1.575 59.470 58.000 -0.175 0.000 1.214 28 F CB -0.530 38.294 39.000 -0.293 0.000 0.978 28 F HN -0.104 nan 8.300 nan 0.000 0.474 29 F N 0.353 120.394 119.950 0.151 0.000 2.171 29 F HA -0.253 4.275 4.527 0.003 0.000 0.300 29 F C 2.735 178.470 175.800 -0.109 0.000 1.090 29 F CA 1.254 59.267 58.000 0.022 0.000 1.293 29 F CB -0.665 38.398 39.000 0.105 0.000 1.013 29 F HN 0.116 nan 8.300 nan 0.000 0.486 30 Q N 0.974 120.836 119.800 0.104 0.000 2.084 30 Q HA -0.256 4.086 4.340 0.002 0.000 0.202 30 Q C 2.335 178.282 176.000 -0.090 0.000 0.978 30 Q CA 1.563 57.364 55.803 -0.003 0.000 0.844 30 Q CB -0.190 28.544 28.738 -0.006 0.000 0.898 30 Q HN 0.312 nan 8.270 nan 0.000 0.426 31 R N -0.566 119.845 120.500 -0.149 0.000 2.096 31 R HA -0.125 4.216 4.340 0.002 0.000 0.235 31 R C 2.218 178.356 176.300 -0.270 0.000 1.127 31 R CA 1.589 57.557 56.100 -0.220 0.000 0.968 31 R CB -0.331 29.800 30.300 -0.282 0.000 0.861 31 R HN 0.412 nan 8.270 nan 0.000 0.440 32 C N 0.420 119.534 119.300 -0.309 0.000 2.425 32 C HA -0.027 4.434 4.460 0.002 0.000 0.277 32 C C 2.230 177.105 174.990 -0.191 0.000 1.280 32 C CA 0.161 59.017 59.018 -0.270 0.000 1.744 32 C CB -0.738 26.899 27.740 -0.170 0.000 1.989 32 C HN 0.459 nan 8.230 nan 0.000 0.491 33 L N 0.705 121.832 121.223 -0.161 0.000 2.465 33 L HA -0.015 4.326 4.340 0.002 0.000 0.224 33 L C 2.146 178.889 176.870 -0.211 0.000 1.145 33 L CA 1.471 56.197 54.840 -0.190 0.000 0.834 33 L CB -1.433 40.527 42.059 -0.165 0.000 0.944 33 L HN 0.570 nan 8.230 nan 0.000 0.451 34 Q N -1.262 118.428 119.800 -0.183 0.000 1.786 34 Q HA 0.165 4.506 4.340 0.002 0.000 0.353 34 Q C -0.185 175.719 176.000 -0.161 0.000 0.943 34 Q CA 0.332 56.035 55.803 -0.167 0.000 0.879 34 Q CB 0.320 28.975 28.738 -0.138 0.000 1.049 34 Q HN 0.081 nan 8.270 nan 0.000 0.435 35 V N 1.358 121.185 119.914 -0.144 0.000 2.588 35 V HA 0.376 4.498 4.120 0.002 0.000 0.304 35 V C -0.975 175.040 176.094 -0.130 0.000 1.042 35 V CA -0.542 61.687 62.300 -0.118 0.000 0.877 35 V CB 1.803 33.575 31.823 -0.085 0.000 0.996 35 V HN 0.261 nan 8.190 nan 0.000 0.425 36 L N 5.523 126.680 121.223 -0.109 0.000 2.334 36 L HA 0.604 4.945 4.340 0.002 0.000 0.276 36 L C -2.268 174.617 176.870 0.025 0.000 1.014 36 L CA -1.745 53.019 54.840 -0.127 0.000 0.815 36 L CB 1.698 43.652 42.059 -0.176 0.000 1.268 36 L HN 0.431 nan 8.230 nan 0.000 0.428 37 P HA 0.024 nan 4.420 nan 0.000 0.272 37 P C 0.424 177.852 177.300 0.213 0.000 1.240 37 P CA -0.396 62.808 63.100 0.173 0.000 0.791 37 P CB 0.638 32.472 31.700 0.224 0.000 0.978 38 E N 1.152 121.421 120.200 0.115 0.000 2.331 38 E HA -0.234 4.117 4.350 0.002 0.000 0.199 38 E C 1.475 178.110 176.600 0.058 0.000 1.008 38 E CA 0.581 57.032 56.400 0.084 0.000 0.843 38 E CB 0.037 29.765 29.700 0.047 0.000 0.761 38 E HN 0.329 nan 8.360 nan 0.000 0.507 39 R N -0.758 119.750 120.500 0.014 0.000 2.357 39 R HA -0.118 4.224 4.340 0.002 0.000 0.202 39 R C 0.456 176.558 176.300 -0.330 0.000 1.047 39 R CA 0.947 56.944 56.100 -0.171 0.000 1.034 39 R CB -0.253 29.886 30.300 -0.269 0.000 0.875 39 R HN 0.222 nan 8.270 nan 0.000 0.473 40 Y N 1.046 121.365 120.300 0.032 0.000 2.607 40 Y HA 0.180 4.732 4.550 0.002 0.000 0.266 40 Y C 1.961 177.882 175.900 0.035 0.000 1.178 40 Y CA -0.078 58.046 58.100 0.040 0.000 1.226 40 Y CB 0.721 39.203 38.460 0.037 0.000 1.144 40 Y HN 0.200 nan 8.280 nan 0.000 0.528 41 S N -0.580 115.186 115.700 0.110 0.000 2.420 41 S HA -0.247 4.225 4.470 0.002 0.000 0.237 41 S C 2.052 176.686 174.600 0.056 0.000 1.023 41 S CA 1.477 59.724 58.200 0.077 0.000 0.991 41 S CB -0.780 62.449 63.200 0.048 0.000 0.792 41 S HN 0.488 nan 8.310 nan 0.000 0.488 42 S N 1.216 116.946 115.700 0.051 0.000 2.595 42 S HA 0.185 4.656 4.470 0.002 0.000 0.235 42 S C 1.432 176.063 174.600 0.051 0.000 0.974 42 S CA 0.442 58.665 58.200 0.039 0.000 0.942 42 S CB -0.692 62.531 63.200 0.039 0.000 0.766 42 S HN 0.597 nan 8.310 nan 0.000 0.536 43 L N 0.339 121.613 121.223 0.084 0.000 2.585 43 L HA 0.262 4.603 4.340 0.002 0.000 0.226 43 L C 2.479 179.378 176.870 0.048 0.000 1.113 43 L CA 0.329 55.223 54.840 0.091 0.000 0.876 43 L CB -0.290 41.863 42.059 0.156 0.000 1.072 43 L HN 0.257 nan 8.230 nan 0.000 0.468 44 E N 1.433 121.650 120.200 0.028 0.000 2.068 44 E HA -0.298 4.053 4.350 0.002 0.000 0.207 44 E C 2.002 178.568 176.600 -0.056 0.000 1.032 44 E CA 2.633 59.039 56.400 0.010 0.000 0.839 44 E CB -0.297 29.398 29.700 -0.007 0.000 0.758 44 E HN 0.424 nan 8.360 nan 0.000 0.457 45 T N -2.403 112.026 114.554 -0.209 0.000 3.163 45 T HA -0.012 4.340 4.350 0.002 0.000 0.260 45 T C 1.014 175.614 174.700 -0.166 0.000 1.156 45 T CA 0.811 62.705 62.100 -0.343 0.000 1.072 45 T CB -0.362 68.179 68.868 -0.544 0.000 0.937 45 T HN 0.155 nan 8.240 nan 0.000 0.528 46 S N -0.663 114.988 115.700 -0.080 0.000 2.835 46 S HA 0.425 4.897 4.470 0.002 0.000 0.248 46 S C 1.065 175.669 174.600 0.007 0.000 1.070 46 S CA -0.968 57.192 58.200 -0.067 0.000 1.090 46 S CB 0.201 63.361 63.200 -0.068 0.000 0.978 46 S HN 0.328 nan 8.310 nan 0.000 0.510 47 R N 0.244 120.785 120.500 0.069 0.000 2.120 47 R HA 0.049 4.390 4.340 0.002 0.000 0.234 47 R C 1.918 178.327 176.300 0.182 0.000 1.123 47 R CA 1.110 57.295 56.100 0.142 0.000 0.975 47 R CB -0.413 30.030 30.300 0.238 0.000 0.866 47 R HN 0.396 nan 8.270 nan 0.000 0.446 48 L N 0.929 122.241 121.223 0.148 0.000 2.131 48 L HA -0.151 4.191 4.340 0.002 0.000 0.210 48 L C 2.293 179.129 176.870 -0.058 0.000 1.092 48 L CA 2.237 57.134 54.840 0.094 0.000 0.759 48 L CB -0.783 41.228 42.059 -0.079 0.000 0.903 48 L HN 0.280 nan 8.230 nan 0.000 0.435 49 T N -3.628 110.838 114.554 -0.148 0.000 2.951 49 T HA -0.072 4.280 4.350 0.002 0.000 0.268 49 T C 1.924 176.348 174.700 -0.459 0.000 1.073 49 T CA 0.876 62.767 62.100 -0.348 0.000 1.134 49 T CB -0.391 68.275 68.868 -0.336 0.000 0.884 49 T HN 0.186 nan 8.240 nan 0.000 0.479 50 I N 2.265 122.742 120.570 -0.156 0.000 2.353 50 I HA 0.068 4.239 4.170 0.002 0.000 0.248 50 I C 3.103 179.181 176.117 -0.065 0.000 1.119 50 I CA 1.009 62.301 61.300 -0.014 0.000 1.417 50 I CB -1.748 36.295 38.000 0.071 0.000 1.078 50 I HN 0.385 nan 8.210 nan 0.000 0.421 51 A N 0.843 123.630 122.820 -0.055 0.000 1.902 51 A HA -0.265 4.057 4.320 0.002 0.000 0.217 51 A C 2.295 179.773 177.584 -0.176 0.000 1.181 51 A CA 1.429 53.422 52.037 -0.073 0.000 0.623 51 A CB -1.092 17.960 19.000 0.086 0.000 0.818 51 A HN 0.393 nan 8.150 nan 0.000 0.443 52 F N -0.047 119.683 119.950 -0.367 0.000 2.095 52 F HA -0.178 4.350 4.527 0.002 0.000 0.298 52 F C 1.942 177.377 175.800 -0.609 0.000 1.104 52 F CA 1.664 59.354 58.000 -0.516 0.000 1.232 52 F CB -0.531 38.068 39.000 -0.669 0.000 0.987 52 F HN 0.252 nan 8.300 nan 0.000 0.475 53 F N 0.244 119.763 119.950 -0.718 0.000 2.134 53 F HA -0.194 4.334 4.527 0.002 0.000 0.299 53 F C 2.616 177.853 175.800 -0.937 0.000 1.097 53 F CA 0.686 58.098 58.000 -0.981 0.000 1.264 53 F CB -0.833 37.949 39.000 -0.363 0.000 1.001 53 F HN 0.132 nan 8.300 nan 0.000 0.479 54 A N 0.254 122.820 122.820 -0.423 0.000 1.897 54 A HA -0.059 4.262 4.320 0.002 0.000 0.215 54 A C 2.125 179.325 177.584 -0.640 0.000 1.181 54 A CA 1.028 52.741 52.037 -0.539 0.000 0.620 54 A CB -0.876 18.047 19.000 -0.129 0.000 0.821 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 L N -1.075 119.854 121.223 -0.490 0.000 2.044 55 L HA -0.098 4.243 4.340 0.002 0.000 0.205 55 L C 2.845 179.441 176.870 -0.457 0.000 1.075 55 L CA 1.470 56.080 54.840 -0.383 0.000 0.747 55 L CB -0.462 41.437 42.059 -0.267 0.000 0.903 55 L HN 0.438 nan 8.230 nan 0.000 0.435 56 S N -0.109 115.171 115.700 -0.699 0.000 2.423 56 S HA -0.092 4.379 4.470 0.002 0.000 0.231 56 S C 1.953 176.311 174.600 -0.403 0.000 1.014 56 S CA 1.148 58.978 58.200 -0.617 0.000 0.965 56 S CB -0.302 62.199 63.200 -1.163 0.000 0.785 56 S HN 0.521 nan 8.310 nan 0.000 0.495 57 G N 1.477 109.879 108.800 -0.664 0.000 2.404 57 G HA2 -0.087 3.875 3.960 0.002 0.000 0.215 57 G HA3 -0.087 3.875 3.960 0.002 0.000 0.215 57 G C 1.379 176.061 174.900 -0.363 0.000 1.174 57 G CA 0.714 45.407 45.100 -0.677 0.000 0.780 57 G HN 0.499 nan 8.290 nan 0.000 0.537 58 L N 0.393 121.380 121.223 -0.394 0.000 2.046 58 L HA -0.071 4.271 4.340 0.002 0.000 0.208 58 L C 2.593 179.435 176.870 -0.047 0.000 1.077 58 L CA 1.353 56.146 54.840 -0.079 0.000 0.747 58 L CB -0.331 41.680 42.059 -0.080 0.000 0.896 58 L HN 0.199 nan 8.230 nan 0.000 0.432 59 D N 0.074 120.407 120.400 -0.110 0.000 2.097 59 D HA -0.259 4.383 4.640 0.002 0.000 0.195 59 D C 2.135 178.421 176.300 -0.024 0.000 0.989 59 D CA 1.435 55.396 54.000 -0.065 0.000 0.827 59 D CB 0.039 40.783 40.800 -0.093 0.000 0.966 59 D HN 0.024 nan 8.370 nan 0.000 0.456 60 M N -0.328 119.255 119.600 -0.028 0.000 2.202 60 M HA 0.022 4.503 4.480 0.002 0.000 0.262 60 M C 1.532 177.859 176.300 0.046 0.000 1.063 60 M CA 1.123 56.421 55.300 -0.003 0.000 1.097 60 M CB -0.087 32.493 32.600 -0.033 0.000 1.382 60 M HN 0.090 nan 8.290 nan 0.000 0.413 61 L N -1.174 120.104 121.223 0.092 0.000 2.628 61 L HA 0.098 4.439 4.340 0.002 0.000 0.229 61 L C 0.229 177.161 176.870 0.103 0.000 1.137 61 L CA -0.199 54.732 54.840 0.152 0.000 0.909 61 L CB -0.392 41.814 42.059 0.245 0.000 1.137 61 L HN 0.231 nan 8.230 nan 0.000 0.470 62 D N 0.648 121.084 120.400 0.060 0.000 2.697 62 D HA -0.196 4.446 4.640 0.002 0.000 0.238 62 D C 0.190 176.516 176.300 0.043 0.000 1.152 62 D CA 0.718 54.743 54.000 0.042 0.000 0.666 62 D CB -0.837 39.990 40.800 0.044 0.000 1.037 62 D HN 0.235 nan 8.370 nan 0.000 0.423 63 S N -0.327 115.398 115.700 0.041 0.000 3.021 63 S HA 0.217 4.688 4.470 0.002 0.000 0.252 63 S C 1.623 176.234 174.600 0.019 0.000 0.996 63 S CA -0.575 57.648 58.200 0.039 0.000 1.084 63 S CB 0.236 63.476 63.200 0.067 0.000 1.021 63 S HN 0.360 nan 8.310 nan 0.000 0.566 64 L N 2.092 123.316 121.223 0.001 0.000 2.353 64 L HA -0.135 4.206 4.340 0.002 0.000 0.220 64 L C 2.262 179.128 176.870 -0.008 0.000 1.133 64 L CA 1.149 55.980 54.840 -0.016 0.000 0.798 64 L CB -0.354 41.690 42.059 -0.025 0.000 0.922 64 L HN 0.493 nan 8.230 nan 0.000 0.445 65 D N 0.212 120.612 120.400 0.001 0.000 2.221 65 D HA -0.169 4.473 4.640 0.002 0.000 0.204 65 D C 1.824 178.123 176.300 -0.001 0.000 0.982 65 D CA 1.557 55.558 54.000 0.002 0.000 0.857 65 D CB -0.460 40.343 40.800 0.006 0.000 0.934 65 D HN 0.418 nan 8.370 nan 0.000 0.475 66 V N -0.564 119.350 119.914 -0.000 0.000 3.444 66 V HA 0.058 4.179 4.120 0.002 0.000 0.271 66 V C 0.926 177.011 176.094 -0.015 0.000 1.188 66 V CA 0.342 62.640 62.300 -0.004 0.000 1.168 66 V CB -1.121 30.704 31.823 0.004 0.000 0.810 66 V HN 0.211 nan 8.190 nan 0.000 0.500 67 V N -2.210 117.694 119.914 -0.018 0.000 3.001 67 V HA 0.605 4.726 4.120 0.002 0.000 0.314 67 V C -0.215 175.867 176.094 -0.019 0.000 1.099 67 V CA -0.987 61.296 62.300 -0.028 0.000 0.989 67 V CB 1.861 33.659 31.823 -0.042 0.000 1.040 67 V HN 0.255 nan 8.190 nan 0.000 0.434 68 N N 2.032 120.719 118.700 -0.020 0.000 2.482 68 N HA 0.243 4.985 4.740 0.002 0.000 0.242 68 N C 0.812 176.327 175.510 0.008 0.000 1.100 68 N CA -0.023 53.024 53.050 -0.004 0.000 0.946 68 N CB 0.921 39.404 38.487 -0.005 0.000 1.227 68 N HN 0.809 nan 8.380 nan 0.000 0.508 69 K N 1.663 122.071 120.400 0.013 0.000 2.032 69 K HA -0.150 4.172 4.320 0.002 0.000 0.209 69 K C 0.767 177.401 176.600 0.056 0.000 1.048 69 K CA 1.369 57.672 56.287 0.026 0.000 0.927 69 K CB 0.214 32.727 32.500 0.022 0.000 0.712 69 K HN 0.509 nan 8.250 nan 0.000 0.441 70 D N 1.134 121.570 120.400 0.059 0.000 2.149 70 D HA -0.156 4.485 4.640 0.002 0.000 0.198 70 D C 1.529 177.896 176.300 0.112 0.000 0.990 70 D CA 1.162 55.212 54.000 0.084 0.000 0.839 70 D CB -0.217 40.624 40.800 0.068 0.000 0.948 70 D HN 0.189 nan 8.370 nan 0.000 0.460 71 D N 0.783 121.238 120.400 0.091 0.000 2.097 71 D HA -0.079 4.563 4.640 0.002 0.000 0.195 71 D C 2.364 178.769 176.300 0.174 0.000 0.989 71 D CA 0.437 54.504 54.000 0.112 0.000 0.827 71 D CB -0.296 40.534 40.800 0.050 0.000 0.966 71 D HN 0.275 nan 8.370 nan 0.000 0.456 72 I N 0.799 121.447 120.570 0.131 0.000 2.286 72 I HA -0.214 3.957 4.170 0.002 0.000 0.248 72 I C 2.405 178.677 176.117 0.258 0.000 1.115 72 I CA 0.632 62.044 61.300 0.187 0.000 1.392 72 I CB -0.152 37.898 38.000 0.084 0.000 1.065 72 I HN -0.022 nan 8.210 nan 0.000 0.418 73 I N 0.487 121.166 120.570 0.182 0.000 2.226 73 I HA -0.244 3.927 4.170 0.002 0.000 0.245 73 I C 2.529 178.804 176.117 0.262 0.000 1.100 73 I CA 1.200 62.603 61.300 0.172 0.000 1.374 73 I CB -0.381 37.726 38.000 0.179 0.000 1.057 73 I HN 0.242 nan 8.210 nan 0.000 0.413 74 E N -0.092 120.288 120.200 0.299 0.000 2.106 74 E HA -0.255 4.096 4.350 0.002 0.000 0.192 74 E C 1.727 178.534 176.600 0.344 0.000 0.984 74 E CA 1.140 57.736 56.400 0.327 0.000 0.806 74 E CB -0.444 29.460 29.700 0.340 0.000 0.750 74 E HN 0.612 nan 8.360 nan 0.000 0.458 75 W N 1.794 123.235 121.300 0.236 0.000 2.358 75 W HA -0.120 4.542 4.660 0.002 0.000 0.303 75 W C 1.954 178.543 176.519 0.117 0.000 1.208 75 W CA 1.361 58.856 57.345 0.249 0.000 1.274 75 W CB -0.390 29.178 29.460 0.180 0.000 1.138 75 W HN -0.062 nan 8.180 nan 0.000 0.515 76 I N -0.666 119.910 120.570 0.011 0.000 2.179 76 I HA -0.354 3.818 4.170 0.002 0.000 0.242 76 I C 2.063 178.076 176.117 -0.172 0.000 1.088 76 I CA 1.381 62.520 61.300 -0.267 0.000 1.357 76 I CB -0.926 36.959 38.000 -0.193 0.000 1.051 76 I HN -0.089 nan 8.210 nan 0.000 0.409 77 Y N 1.189 121.481 120.300 -0.013 0.000 2.403 77 Y HA -0.203 4.348 4.550 0.002 0.000 0.291 77 Y C 2.915 178.667 175.900 -0.246 0.000 1.143 77 Y CA 1.293 59.363 58.100 -0.051 0.000 1.257 77 Y CB -0.633 37.802 38.460 -0.041 0.000 0.984 77 Y HN 0.272 nan 8.280 nan 0.000 0.550 78 S N -1.048 114.515 115.700 -0.229 0.000 2.515 78 S HA -0.055 4.416 4.470 0.002 0.000 0.231 78 S C 1.516 175.899 174.600 -0.362 0.000 0.987 78 S CA 0.622 58.548 58.200 -0.457 0.000 0.936 78 S CB -0.613 62.088 63.200 -0.831 0.000 0.766 78 S HN 0.488 nan 8.310 nan 0.000 0.528 79 L N 0.480 121.504 121.223 -0.331 0.000 2.567 79 L HA 0.275 4.617 4.340 0.002 0.000 0.225 79 L C 1.301 177.967 176.870 -0.340 0.000 1.119 79 L CA -0.032 54.636 54.840 -0.287 0.000 0.871 79 L CB -0.185 41.702 42.059 -0.287 0.000 1.036 79 L HN 0.403 nan 8.230 nan 0.000 0.459 80 Q N 1.388 120.859 119.800 -0.549 0.000 2.296 80 Q HA 0.181 4.522 4.340 0.002 0.000 0.262 80 Q C -0.731 174.953 176.000 -0.526 0.000 0.981 80 Q CA -0.218 54.994 55.803 -0.985 0.000 0.905 80 Q CB 1.389 29.519 28.738 -1.014 0.000 1.186 80 Q HN -0.023 nan 8.270 nan 0.000 0.399 81 V N 6.936 126.577 119.914 -0.455 0.000 2.353 81 V HA 0.185 4.307 4.120 0.002 0.000 0.264 81 V C 0.167 176.116 176.094 -0.241 0.000 1.049 81 V CA -0.187 61.951 62.300 -0.270 0.000 0.896 81 V CB 0.242 31.952 31.823 -0.189 0.000 1.025 81 V HN 0.727 nan 8.190 nan 0.000 0.475 82 L N 7.940 129.041 121.223 -0.204 0.000 2.379 82 L HA 0.502 4.843 4.340 0.002 0.000 0.269 82 L C -1.880 174.919 176.870 -0.120 0.000 1.084 82 L CA -1.868 52.875 54.840 -0.162 0.000 0.802 82 L CB 1.500 43.467 42.059 -0.153 0.000 1.175 82 L HN 0.385 nan 8.230 nan 0.000 0.448 83 P HA 0.070 nan 4.420 nan 0.000 0.271 83 P C -0.529 176.727 177.300 -0.073 0.000 1.218 83 P CA -0.338 62.714 63.100 -0.080 0.000 0.780 83 P CB 0.598 32.255 31.700 -0.072 0.000 0.901 84 T N -1.955 112.561 114.554 -0.063 0.000 2.754 84 T HA 0.292 4.643 4.350 0.002 0.000 0.286 84 T C 1.746 176.415 174.700 -0.052 0.000 0.997 84 T CA 0.210 62.276 62.100 -0.056 0.000 0.982 84 T CB -0.278 68.560 68.868 -0.050 0.000 1.027 84 T HN 0.449 nan 8.240 nan 0.000 0.529 85 E N 1.170 121.342 120.200 -0.047 0.000 2.086 85 E HA -0.264 4.088 4.350 0.002 0.000 0.205 85 E C 1.483 178.059 176.600 -0.040 0.000 1.027 85 E CA 2.003 58.378 56.400 -0.043 0.000 0.830 85 E CB -1.553 28.125 29.700 -0.038 0.000 0.751 85 E HN 0.986 nan 8.360 nan 0.000 0.456 86 D N -0.533 119.844 120.400 -0.039 0.000 2.338 86 D HA -0.034 4.607 4.640 0.002 0.000 0.239 86 D C 0.322 176.599 176.300 -0.038 0.000 1.095 86 D CA 0.296 54.274 54.000 -0.036 0.000 0.888 86 D CB -0.522 40.258 40.800 -0.034 0.000 0.899 86 D HN 0.488 nan 8.370 nan 0.000 0.525 87 R N -0.135 120.339 120.500 -0.043 0.000 3.484 87 R HA -0.191 4.150 4.340 0.002 0.000 0.260 87 R C 0.686 176.961 176.300 -0.042 0.000 1.053 87 R CA 0.918 56.991 56.100 -0.045 0.000 0.703 87 R CB -2.726 27.548 30.300 -0.042 0.000 1.089 87 R HN 0.497 nan 8.270 nan 0.000 0.459 88 S N -0.076 115.599 115.700 -0.043 0.000 2.558 88 S HA -0.041 4.430 4.470 0.002 0.000 0.217 88 S C 1.049 175.622 174.600 -0.045 0.000 0.975 88 S CA 0.324 58.500 58.200 -0.041 0.000 0.912 88 S CB 0.117 63.292 63.200 -0.041 0.000 0.776 88 S HN 0.549 nan 8.310 nan 0.000 0.526 89 N N 1.304 119.975 118.700 -0.048 0.000 2.401 89 N HA 0.222 4.963 4.740 0.002 0.000 0.264 89 N C 0.820 176.299 175.510 -0.051 0.000 1.238 89 N CA -0.372 52.647 53.050 -0.051 0.000 0.889 89 N CB -0.386 38.068 38.487 -0.055 0.000 1.196 89 N HN 0.325 nan 8.380 nan 0.000 0.511 90 L N 0.115 121.310 121.223 -0.047 0.000 2.046 90 L HA -0.131 4.211 4.340 0.002 0.000 0.208 90 L C 0.855 177.701 176.870 -0.040 0.000 1.077 90 L CA 1.379 56.192 54.840 -0.045 0.000 0.747 90 L CB -0.214 41.821 42.059 -0.040 0.000 0.896 90 L HN 0.081 nan 8.230 nan 0.000 0.432 91 D N -0.117 120.262 120.400 -0.035 0.000 2.392 91 D HA -0.094 4.547 4.640 0.002 0.000 0.228 91 D C 1.556 177.837 176.300 -0.031 0.000 1.003 91 D CA 0.779 54.761 54.000 -0.029 0.000 0.917 91 D CB 0.027 40.811 40.800 -0.027 0.000 0.890 91 D HN 0.327 nan 8.370 nan 0.000 0.532 92 R N -0.774 119.703 120.500 -0.040 0.000 2.508 92 R HA 0.215 4.556 4.340 0.002 0.000 0.300 92 R C -0.021 176.247 176.300 -0.052 0.000 0.970 92 R CA -0.222 55.853 56.100 -0.042 0.000 1.102 92 R CB 0.454 30.727 30.300 -0.044 0.000 1.246 92 R HN 0.062 nan 8.270 nan 0.000 0.539 93 C N 0.697 119.963 119.300 -0.057 0.000 2.520 93 C HA 0.765 5.227 4.460 0.002 0.000 0.376 93 C C 1.375 176.331 174.990 -0.057 0.000 1.268 93 C CA 0.300 59.270 59.018 -0.078 0.000 2.414 93 C CB 0.988 28.678 27.740 -0.083 0.000 2.521 93 C HN 0.783 nan 8.230 nan 0.000 0.618 94 G N 0.764 109.508 108.800 -0.093 0.000 2.366 94 G HA2 0.257 4.219 3.960 0.002 0.000 0.190 94 G HA3 0.257 4.219 3.960 0.002 0.000 0.190 94 G C -1.636 173.205 174.900 -0.099 0.000 1.299 94 G CA -0.537 44.573 45.100 0.017 0.000 1.056 94 G HN 0.425 nan 8.290 nan 0.000 0.468 95 F N 1.358 121.264 119.950 -0.073 0.000 2.546 95 F HA 0.758 5.286 4.527 0.002 0.000 0.320 95 F C 0.903 176.659 175.800 -0.074 0.000 1.076 95 F CA -0.727 57.211 58.000 -0.103 0.000 0.928 95 F CB 2.087 40.999 39.000 -0.146 0.000 1.189 95 F HN 0.411 nan 8.300 nan 0.000 0.465 96 R N 0.212 120.747 120.500 0.057 0.000 2.532 96 R HA 0.474 4.816 4.340 0.002 0.000 0.272 96 R C 1.024 177.348 176.300 0.041 0.000 1.032 96 R CA -0.288 55.840 56.100 0.046 0.000 1.089 96 R CB 0.549 30.831 30.300 -0.029 0.000 1.098 96 R HN 0.912 nan 8.270 nan 0.000 0.526 97 G N -0.181 108.666 108.800 0.078 0.000 2.511 97 G HA2 -0.078 3.883 3.960 0.002 0.000 0.217 97 G HA3 -0.078 3.883 3.960 0.002 0.000 0.217 97 G C 0.274 175.211 174.900 0.061 0.000 1.133 97 G CA 0.842 45.949 45.100 0.012 0.000 0.792 97 G HN 0.638 nan 8.290 nan 0.000 0.539 98 S N -1.913 113.874 115.700 0.145 0.000 2.671 98 S HA 0.322 4.793 4.470 0.002 0.000 0.270 98 S C 0.384 175.086 174.600 0.170 0.000 1.166 98 S CA 0.507 58.819 58.200 0.187 0.000 0.868 98 S CB 0.631 64.004 63.200 0.288 0.000 1.190 98 S HN 0.517 nan 8.310 nan 0.000 0.494 99 S N 0.248 116.058 115.700 0.183 0.000 2.614 99 S HA 0.128 4.599 4.470 0.002 0.000 0.230 99 S C 1.320 175.954 174.600 0.057 0.000 0.952 99 S CA 0.216 58.463 58.200 0.078 0.000 0.949 99 S CB -1.326 61.958 63.200 0.140 0.000 0.786 99 S HN 1.079 nan 8.310 nan 0.000 0.478 100 Y N 0.680 121.004 120.300 0.040 0.000 2.446 100 Y HA 0.067 4.618 4.550 0.002 0.000 0.287 100 Y C 1.400 177.310 175.900 0.017 0.000 1.159 100 Y CA 0.318 58.439 58.100 0.035 0.000 1.297 100 Y CB -0.727 37.753 38.460 0.033 0.000 0.974 100 Y HN 0.317 nan 8.280 nan 0.000 0.557 101 L N 0.296 121.154 121.223 -0.609 0.000 2.418 101 L HA 0.176 4.517 4.340 0.002 0.000 0.218 101 L C 1.856 178.628 176.870 -0.163 0.000 1.125 101 L CA 0.952 55.515 54.840 -0.461 0.000 0.835 101 L CB -0.531 41.133 42.059 -0.659 0.000 0.953 101 L HN 0.647 nan 8.230 nan 0.000 0.454 102 G N 0.678 109.422 108.800 -0.093 0.000 2.141 102 G HA2 -0.251 3.711 3.960 0.002 0.000 0.231 102 G HA3 -0.251 3.711 3.960 0.002 0.000 0.231 102 G C 0.218 175.124 174.900 0.010 0.000 0.984 102 G CA -0.351 44.748 45.100 -0.002 0.000 0.660 102 G HN 0.246 nan 8.290 nan 0.000 0.525 103 I N 2.969 123.516 120.570 -0.038 0.000 2.556 103 I HA 0.213 4.385 4.170 0.002 0.000 0.284 103 I C -0.791 175.336 176.117 0.016 0.000 1.114 103 I CA -1.653 59.637 61.300 -0.017 0.000 1.418 103 I CB 0.651 38.602 38.000 -0.083 0.000 1.394 103 I HN 0.024 nan 8.210 nan 0.000 0.552 104 P HA -0.100 nan 4.420 nan 0.000 0.262 104 P C -0.435 176.921 177.300 0.093 0.000 1.182 104 P CA -0.091 63.054 63.100 0.075 0.000 0.761 104 P CB 0.321 32.055 31.700 0.057 0.000 0.795 105 F N 3.883 123.837 119.950 0.007 0.000 2.549 105 F HA 0.001 4.529 4.527 0.002 0.000 0.400 105 F C 0.507 176.309 175.800 0.004 0.000 1.011 105 F CA 0.739 58.747 58.000 0.014 0.000 1.148 105 F CB -0.136 38.889 39.000 0.042 0.000 0.993 105 F HN 0.324 nan 8.300 nan 0.000 0.540 106 N N 8.112 126.513 118.700 -0.497 0.000 2.621 106 N HA 0.270 5.012 4.740 0.002 0.000 0.271 106 N C -2.971 172.259 175.510 -0.467 0.000 1.181 106 N CA -2.158 50.679 53.050 -0.354 0.000 0.805 106 N CB 1.295 39.677 38.487 -0.175 0.000 1.351 106 N HN 0.168 nan 8.380 nan 0.000 0.539 107 P HA 0.061 nan 4.420 nan 0.000 0.238 107 P C -0.634 176.561 177.300 -0.175 0.000 1.679 107 P CA 0.205 63.127 63.100 -0.297 0.000 1.080 107 P CB -0.647 30.968 31.700 -0.143 0.000 1.961 108 S N -0.856 114.734 115.700 -0.182 0.000 3.550 108 S HA -0.220 4.252 4.470 0.002 0.000 0.372 108 S C 1.246 175.732 174.600 -0.190 0.000 0.966 108 S CA 1.549 59.639 58.200 -0.183 0.000 1.229 108 S CB -1.425 61.660 63.200 -0.191 0.000 0.917 108 S HN 0.778 nan 8.310 nan 0.000 0.496 109 K N 0.376 120.684 120.400 -0.152 0.000 2.786 109 K HA 0.571 4.893 4.320 0.002 0.000 0.224 109 K C 0.806 177.345 176.600 -0.101 0.000 1.089 109 K CA 0.935 57.151 56.287 -0.118 0.000 1.162 109 K CB -1.299 31.149 32.500 -0.085 0.000 1.585 109 K HN 0.904 nan 8.250 nan 0.000 0.466 110 N N 1.175 119.825 118.700 -0.083 0.000 2.235 110 N HA 0.455 5.196 4.740 0.002 0.000 0.231 110 N C -0.468 174.993 175.510 -0.082 0.000 1.330 110 N CA -0.231 52.776 53.050 -0.071 0.000 0.898 110 N CB -1.269 37.186 38.487 -0.054 0.000 1.151 110 N HN 0.753 nan 8.380 nan 0.000 0.472 111 P HA 0.517 nan 4.420 nan 0.000 0.306 111 P C 0.602 177.854 177.300 -0.080 0.000 1.301 111 P CA 1.066 64.121 63.100 -0.075 0.000 0.744 111 P CB -0.258 31.406 31.700 -0.061 0.000 1.400 112 G N -1.584 107.170 108.800 -0.077 0.000 2.322 112 G HA2 0.562 4.523 3.960 0.002 0.000 0.309 112 G HA3 0.562 4.523 3.960 0.002 0.000 0.309 112 G C 0.234 175.100 174.900 -0.056 0.000 1.121 112 G CA 0.920 45.973 45.100 -0.078 0.000 0.886 112 G HN 0.785 nan 8.290 nan 0.000 0.447 113 T N 1.170 115.696 114.554 -0.048 0.000 2.775 113 T HA 0.608 4.960 4.350 0.002 0.000 0.287 113 T C 0.933 175.630 174.700 -0.005 0.000 0.909 113 T CA 0.237 62.322 62.100 -0.025 0.000 1.081 113 T CB -0.057 68.802 68.868 -0.015 0.000 0.891 113 T HN 1.270 nan 8.240 nan 0.000 0.544 114 A N 3.729 126.541 122.820 -0.013 0.000 2.598 114 A HA 0.394 4.715 4.320 0.002 0.000 0.239 114 A C 0.324 177.929 177.584 0.037 0.000 1.032 114 A CA 0.333 52.366 52.037 -0.006 0.000 0.760 114 A CB -0.185 18.796 19.000 -0.031 0.000 0.946 114 A HN 0.984 nan 8.150 nan 0.000 0.512 115 H N 3.318 122.349 119.070 -0.066 0.000 2.966 115 H HA 0.334 4.892 4.556 0.002 0.000 0.347 115 H C -2.368 172.905 175.328 -0.091 0.000 1.048 115 H CA -1.503 54.513 56.048 -0.053 0.000 1.295 115 H CB 1.935 31.672 29.762 -0.040 0.000 1.744 115 H HN 0.358 nan 8.280 nan 0.000 0.513 116 P HA -0.133 nan 4.420 nan 0.000 0.217 116 P C -0.037 177.006 177.300 -0.428 0.000 1.148 116 P CA 1.538 64.471 63.100 -0.277 0.000 0.834 116 P CB 0.088 31.579 31.700 -0.349 0.000 0.783 117 Y N -2.527 118.005 120.300 0.386 0.000 2.719 117 Y HA 0.272 4.823 4.550 0.002 0.000 0.251 117 Y C 0.090 175.980 175.900 -0.018 0.000 1.159 117 Y CA -0.998 57.197 58.100 0.157 0.000 1.166 117 Y CB -0.017 38.533 38.460 0.150 0.000 1.219 117 Y HN -0.159 nan 8.280 nan 0.000 0.551 118 D N 1.552 121.959 120.400 0.011 0.000 2.313 118 D HA 0.441 5.082 4.640 0.002 0.000 0.239 118 D C -0.184 176.074 176.300 -0.070 0.000 1.142 118 D CA 0.094 54.001 54.000 -0.154 0.000 0.847 118 D CB 0.710 41.360 40.800 -0.250 0.000 1.082 118 D HN 0.165 nan 8.370 nan 0.000 0.480 119 S N 1.707 117.378 115.700 -0.049 0.000 2.656 119 S HA 0.812 5.284 4.470 0.002 0.000 0.273 119 S C 0.217 174.810 174.600 -0.010 0.000 1.168 119 S CA -0.832 57.349 58.200 -0.031 0.000 0.817 119 S CB 1.042 64.238 63.200 -0.007 0.000 1.146 119 S HN 0.421 nan 8.310 nan 0.000 0.475 120 G N -0.068 108.726 108.800 -0.010 0.000 2.580 120 G HA2 0.500 4.462 3.960 0.002 0.000 0.278 120 G HA3 0.500 4.462 3.960 0.002 0.000 0.278 120 G C -0.875 174.068 174.900 0.071 0.000 1.212 120 G CA -0.315 44.804 45.100 0.032 0.000 0.939 120 G HN 0.855 nan 8.290 nan 0.000 0.513 121 H N 0.691 119.758 119.070 -0.004 0.000 2.658 121 H HA 0.237 4.794 4.556 0.002 0.000 0.337 121 H C 1.038 176.329 175.328 -0.063 0.000 1.009 121 H CA -0.718 55.303 56.048 -0.046 0.000 1.231 121 H CB 1.821 31.572 29.762 -0.018 0.000 1.508 121 H HN 0.381 nan 8.280 nan 0.000 0.517 122 I N 3.910 124.348 120.570 -0.220 0.000 2.185 122 I HA -0.336 3.836 4.170 0.002 0.000 0.246 122 I C 1.926 178.101 176.117 0.097 0.000 1.088 122 I CA 1.913 63.144 61.300 -0.114 0.000 1.347 122 I CB -0.086 37.741 38.000 -0.288 0.000 1.041 122 I HN 0.711 nan 8.210 nan 0.000 0.415 123 A N -0.146 122.865 122.820 0.318 0.000 2.066 123 A HA -0.141 4.181 4.320 0.002 0.000 0.218 123 A C 2.097 179.767 177.584 0.143 0.000 1.157 123 A CA 1.121 53.367 52.037 0.348 0.000 0.670 123 A CB -0.264 18.997 19.000 0.434 0.000 0.804 123 A HN 0.425 nan 8.150 nan 0.000 0.453 124 M N -0.946 118.731 119.600 0.129 0.000 2.287 124 M HA 0.000 4.481 4.480 0.002 0.000 0.266 124 M C 2.025 178.272 176.300 -0.090 0.000 1.079 124 M CA 1.516 56.796 55.300 -0.034 0.000 1.146 124 M CB -1.922 30.685 32.600 0.012 0.000 1.374 124 M HN 0.318 nan 8.290 nan 0.000 0.435 125 T N 0.571 115.141 114.554 0.027 0.000 2.746 125 T HA -0.172 4.179 4.350 0.002 0.000 0.267 125 T C 1.701 176.296 174.700 -0.175 0.000 1.039 125 T CA 1.522 63.616 62.100 -0.010 0.000 1.142 125 T CB -0.468 68.460 68.868 0.100 0.000 0.866 125 T HN 0.357 nan 8.240 nan 0.000 0.444 126 Y N 3.013 123.192 120.300 -0.202 0.000 2.089 126 Y HA -0.207 4.344 4.550 0.002 0.000 0.282 126 Y C 2.712 178.403 175.900 -0.350 0.000 1.139 126 Y CA 1.953 59.900 58.100 -0.255 0.000 1.123 126 Y CB -1.296 37.037 38.460 -0.212 0.000 0.980 126 Y HN 0.300 nan 8.280 nan 0.000 0.493 127 T N -1.967 112.007 114.554 -0.966 0.000 2.833 127 T HA -0.045 4.307 4.350 0.002 0.000 0.269 127 T C 2.221 176.528 174.700 -0.654 0.000 1.054 127 T CA 1.133 62.568 62.100 -1.108 0.000 1.135 127 T CB -1.387 66.960 68.868 -0.870 0.000 0.869 127 T HN 0.445 nan 8.240 nan 0.000 0.466 128 G N 1.955 110.390 108.800 -0.609 0.000 2.453 128 G HA2 -0.060 3.902 3.960 0.002 0.000 0.215 128 G HA3 -0.060 3.902 3.960 0.002 0.000 0.215 128 G C 1.505 175.966 174.900 -0.732 0.000 1.201 128 G CA 0.775 45.428 45.100 -0.746 0.000 0.784 128 G HN 0.508 nan 8.290 nan 0.000 0.545 129 L N 0.578 121.380 121.223 -0.702 0.000 2.042 129 L HA -0.122 4.219 4.340 0.002 0.000 0.210 129 L C 3.115 179.825 176.870 -0.268 0.000 1.076 129 L CA 1.389 55.976 54.840 -0.422 0.000 0.749 129 L CB -0.513 41.400 42.059 -0.244 0.000 0.893 129 L HN 0.355 nan 8.230 nan 0.000 0.432 130 S N -0.932 114.589 115.700 -0.298 0.000 2.370 130 S HA -0.230 4.241 4.470 0.002 0.000 0.226 130 S C 2.184 176.720 174.600 -0.107 0.000 1.033 130 S CA 1.636 59.723 58.200 -0.189 0.000 1.011 130 S CB -0.330 62.645 63.200 -0.375 0.000 0.852 130 S HN 0.506 nan 8.310 nan 0.000 0.457 131 C N 1.020 120.227 119.300 -0.156 0.000 2.429 131 C HA 0.051 4.512 4.460 0.002 0.000 0.277 131 C C 2.536 177.459 174.990 -0.112 0.000 1.262 131 C CA 0.659 59.617 59.018 -0.100 0.000 1.733 131 C CB -1.573 26.099 27.740 -0.112 0.000 2.010 131 C HN 0.593 nan 8.230 nan 0.000 0.483 132 L N 0.365 121.484 121.223 -0.174 0.000 2.012 132 L HA -0.190 4.151 4.340 0.002 0.000 0.210 132 L C 2.387 179.225 176.870 -0.052 0.000 1.073 132 L CA 1.660 56.419 54.840 -0.134 0.000 0.748 132 L CB -0.560 41.375 42.059 -0.206 0.000 0.891 132 L HN 0.361 nan 8.230 nan 0.000 0.431 133 I N -0.258 120.281 120.570 -0.051 0.000 2.226 133 I HA -0.318 3.853 4.170 0.002 0.000 0.245 133 I C 2.412 178.513 176.117 -0.026 0.000 1.100 133 I CA 1.476 62.761 61.300 -0.025 0.000 1.374 133 I CB -0.232 37.750 38.000 -0.031 0.000 1.057 133 I HN 0.199 nan 8.210 nan 0.000 0.413 134 I N 0.469 121.018 120.570 -0.034 0.000 2.286 134 I HA -0.273 3.898 4.170 0.002 0.000 0.248 134 I C 2.136 178.233 176.117 -0.034 0.000 1.115 134 I CA 1.400 62.677 61.300 -0.038 0.000 1.392 134 I CB -0.203 37.758 38.000 -0.064 0.000 1.065 134 I HN 0.220 nan 8.210 nan 0.000 0.418 135 L N 0.278 121.484 121.223 -0.029 0.000 2.610 135 L HA 0.105 4.447 4.340 0.002 0.000 0.232 135 L C 1.643 178.518 176.870 0.009 0.000 1.149 135 L CA 0.701 55.534 54.840 -0.011 0.000 0.872 135 L CB -0.353 41.705 42.059 -0.002 0.000 0.992 135 L HN 0.528 nan 8.230 nan 0.000 0.447 136 G N -0.599 108.206 108.800 0.009 0.000 2.194 136 G HA2 -0.266 3.695 3.960 0.002 0.000 0.236 136 G HA3 -0.266 3.695 3.960 0.002 0.000 0.236 136 G C 0.238 175.166 174.900 0.047 0.000 0.987 136 G CA 0.120 45.233 45.100 0.021 0.000 0.635 136 G HN 0.402 nan 8.290 nan 0.000 0.520 137 D N 0.939 121.379 120.400 0.066 0.000 2.378 137 D HA 0.252 4.894 4.640 0.002 0.000 0.238 137 D C 1.063 177.441 176.300 0.129 0.000 1.180 137 D CA 0.777 54.849 54.000 0.119 0.000 0.895 137 D CB 0.607 41.505 40.800 0.164 0.000 1.192 137 D HN 0.315 nan 8.370 nan 0.000 0.438 138 D N 1.109 121.613 120.400 0.172 0.000 2.363 138 D HA 0.035 4.677 4.640 0.002 0.000 0.214 138 D C 1.034 177.532 176.300 0.330 0.000 1.093 138 D CA -0.315 53.816 54.000 0.218 0.000 0.837 138 D CB 0.006 40.926 40.800 0.200 0.000 0.948 138 D HN 0.260 nan 8.370 nan 0.000 0.507 139 L N 0.253 121.659 121.223 0.305 0.000 4.696 139 L HA -0.295 4.046 4.340 0.002 0.000 0.425 139 L C 1.774 178.769 176.870 0.207 0.000 1.115 139 L CA 1.015 56.049 54.840 0.322 0.000 0.996 139 L CB -2.896 39.392 42.059 0.382 0.000 2.077 139 L HN 0.321 nan 8.230 nan 0.000 0.792 140 S N -1.304 114.486 115.700 0.150 0.000 2.399 140 S HA -0.135 4.336 4.470 0.002 0.000 0.231 140 S C 1.740 176.314 174.600 -0.043 0.000 1.022 140 S CA 1.285 59.498 58.200 0.022 0.000 0.983 140 S CB -0.221 62.990 63.200 0.018 0.000 0.803 140 S HN 0.626 nan 8.310 nan 0.000 0.480 141 R N 0.702 121.153 120.500 -0.081 0.000 2.313 141 R HA 0.283 4.625 4.340 0.002 0.000 0.199 141 R C -0.415 175.869 176.300 -0.027 0.000 0.958 141 R CA -0.013 55.930 56.100 -0.261 0.000 1.047 141 R CB -0.006 29.756 30.300 -0.897 0.000 0.955 141 R HN 0.264 nan 8.270 nan 0.000 0.481 142 V N 1.929 121.949 119.914 0.177 0.000 2.488 142 V HA -0.010 4.111 4.120 0.002 0.000 0.277 142 V C 0.227 176.342 176.094 0.034 0.000 1.046 142 V CA -0.481 61.952 62.300 0.220 0.000 0.986 142 V CB 1.284 33.262 31.823 0.259 0.000 0.989 142 V HN 0.100 nan 8.190 nan 0.000 0.475 143 D N 5.019 125.415 120.400 -0.006 0.000 2.508 143 D HA 0.093 4.735 4.640 0.002 0.000 0.224 143 D C 1.254 177.525 176.300 -0.049 0.000 1.171 143 D CA -0.020 53.946 54.000 -0.058 0.000 1.006 143 D CB 0.484 41.236 40.800 -0.080 0.000 1.073 143 D HN 0.518 nan 8.370 nan 0.000 0.513 144 K N 1.574 121.930 120.400 -0.074 0.000 2.059 144 K HA -0.188 4.134 4.320 0.002 0.000 0.212 144 K C 1.501 178.057 176.600 -0.073 0.000 1.050 144 K CA 1.016 57.252 56.287 -0.084 0.000 0.927 144 K CB 0.230 32.628 32.500 -0.170 0.000 0.714 144 K HN 0.339 nan 8.250 nan 0.000 0.447 145 E N 0.458 120.609 120.200 -0.081 0.000 2.110 145 E HA -0.154 4.197 4.350 0.002 0.000 0.193 145 E C 2.035 178.605 176.600 -0.051 0.000 0.988 145 E CA 1.165 57.526 56.400 -0.065 0.000 0.804 145 E CB -0.220 29.440 29.700 -0.066 0.000 0.745 145 E HN 0.348 nan 8.360 nan 0.000 0.458 146 A N 0.777 123.565 122.820 -0.055 0.000 1.873 146 A HA -0.180 4.141 4.320 0.002 0.000 0.215 146 A C 2.653 180.214 177.584 -0.039 0.000 1.186 146 A CA 1.411 53.416 52.037 -0.052 0.000 0.616 146 A CB -0.949 18.010 19.000 -0.069 0.000 0.823 146 A HN 0.345 nan 8.150 nan 0.000 0.442 147 C N -0.663 118.621 119.300 -0.027 0.000 2.413 147 C HA -0.089 4.373 4.460 0.002 0.000 0.276 147 C C 2.658 177.642 174.990 -0.011 0.000 1.236 147 C CA 1.099 60.117 59.018 -0.001 0.000 1.735 147 C CB -1.550 26.215 27.740 0.042 0.000 2.031 147 C HN 0.626 nan 8.230 nan 0.000 0.474 148 L N 0.936 122.144 121.223 -0.025 0.000 2.083 148 L HA -0.157 4.184 4.340 0.002 0.000 0.209 148 L C 2.853 179.720 176.870 -0.005 0.000 1.083 148 L CA 1.579 56.405 54.840 -0.024 0.000 0.752 148 L CB -0.747 41.290 42.059 -0.037 0.000 0.899 148 L HN 0.354 nan 8.230 nan 0.000 0.433 149 A N 0.274 123.086 122.820 -0.013 0.000 1.898 149 A HA -0.086 4.235 4.320 0.002 0.000 0.216 149 A C 2.415 179.998 177.584 -0.002 0.000 1.181 149 A CA 1.587 53.619 52.037 -0.009 0.000 0.620 149 A CB -1.156 17.831 19.000 -0.021 0.000 0.819 149 A HN 0.427 nan 8.150 nan 0.000 0.442 150 G N -0.375 108.421 108.800 -0.008 0.000 2.418 150 G HA2 -0.172 3.790 3.960 0.002 0.000 0.217 150 G HA3 -0.172 3.790 3.960 0.002 0.000 0.217 150 G C 1.583 176.495 174.900 0.019 0.000 1.158 150 G CA 0.920 46.017 45.100 -0.005 0.000 0.771 150 G HN 0.405 nan 8.290 nan 0.000 0.545 151 L N -0.129 121.112 121.223 0.030 0.000 1.994 151 L HA -0.071 4.271 4.340 0.002 0.000 0.208 151 L C 3.248 180.224 176.870 0.178 0.000 1.071 151 L CA 1.259 56.146 54.840 0.079 0.000 0.745 151 L CB -0.275 41.801 42.059 0.028 0.000 0.892 151 L HN 0.206 nan 8.230 nan 0.000 0.431 152 R N -0.469 120.101 120.500 0.117 0.000 2.103 152 R HA -0.215 4.126 4.340 0.002 0.000 0.242 152 R C 2.173 178.496 176.300 0.039 0.000 1.142 152 R CA 1.487 57.643 56.100 0.095 0.000 0.960 152 R CB -0.519 29.809 30.300 0.046 0.000 0.858 152 R HN 0.443 nan 8.270 nan 0.000 0.439 153 A N 0.832 123.667 122.820 0.025 0.000 2.070 153 A HA -0.079 4.242 4.320 0.002 0.000 0.220 153 A C 2.025 179.601 177.584 -0.014 0.000 1.159 153 A CA 1.003 53.037 52.037 -0.005 0.000 0.656 153 A CB -0.305 18.689 19.000 -0.009 0.000 0.800 153 A HN 0.199 nan 8.150 nan 0.000 0.453 154 L N -0.928 120.317 121.223 0.036 0.000 2.418 154 L HA 0.021 4.363 4.340 0.002 0.000 0.218 154 L C 1.423 178.237 176.870 -0.092 0.000 1.125 154 L CA 0.067 54.936 54.840 0.048 0.000 0.835 154 L CB -0.228 41.935 42.059 0.172 0.000 0.953 154 L HN 0.510 nan 8.230 nan 0.000 0.454 155 Q N 1.381 120.983 119.800 -0.329 0.000 2.304 155 Q HA 0.314 4.656 4.340 0.002 0.000 0.260 155 Q C -0.549 175.199 176.000 -0.420 0.000 0.965 155 Q CA -0.137 55.167 55.803 -0.831 0.000 0.898 155 Q CB 0.931 29.066 28.738 -1.005 0.000 1.196 155 Q HN 0.238 nan 8.270 nan 0.000 0.402 156 L N 2.506 123.495 121.223 -0.391 0.000 2.448 156 L HA 0.299 4.641 4.340 0.002 0.000 0.258 156 L C 1.812 178.577 176.870 -0.175 0.000 1.104 156 L CA 0.089 54.803 54.840 -0.211 0.000 0.800 156 L CB 0.420 42.387 42.059 -0.153 0.000 1.241 156 L HN 0.903 nan 8.230 nan 0.000 0.472 157 E N 0.729 120.870 120.200 -0.098 0.000 2.118 157 E HA -0.254 4.097 4.350 0.002 0.000 0.195 157 E C 1.294 177.869 176.600 -0.042 0.000 0.992 157 E CA 1.623 57.986 56.400 -0.063 0.000 0.804 157 E CB -0.837 28.843 29.700 -0.033 0.000 0.741 157 E HN 0.876 nan 8.360 nan 0.000 0.458 158 D N -1.942 118.443 120.400 -0.025 0.000 2.363 158 D HA 0.215 4.857 4.640 0.002 0.000 0.226 158 D C 1.522 177.857 176.300 0.059 0.000 1.020 158 D CA 1.228 55.260 54.000 0.053 0.000 0.892 158 D CB -0.042 40.841 40.800 0.138 0.000 0.900 158 D HN 0.875 nan 8.370 nan 0.000 0.531 159 G N -0.210 108.537 108.800 -0.089 0.000 2.234 159 G HA2 -0.288 3.673 3.960 0.002 0.000 0.235 159 G HA3 -0.288 3.673 3.960 0.002 0.000 0.235 159 G C 0.546 175.264 174.900 -0.303 0.000 0.997 159 G CA 0.433 45.462 45.100 -0.119 0.000 0.623 159 G HN 0.826 nan 8.290 nan 0.000 0.514 160 S N -0.173 115.204 115.700 -0.539 0.000 2.661 160 S HA 0.815 5.286 4.470 0.002 0.000 0.265 160 S C -0.175 174.186 174.600 -0.400 0.000 1.225 160 S CA -0.303 57.506 58.200 -0.651 0.000 0.986 160 S CB 1.253 63.739 63.200 -1.190 0.000 1.008 160 S HN 0.560 nan 8.310 nan 0.000 0.565 161 F N -1.331 118.536 119.950 -0.138 0.000 2.593 161 F HA 0.589 5.117 4.527 0.002 0.000 0.320 161 F C 0.369 176.228 175.800 0.098 0.000 1.060 161 F CA -1.031 56.962 58.000 -0.011 0.000 0.940 161 F CB 1.471 40.489 39.000 0.030 0.000 1.268 161 F HN 0.668 nan 8.300 nan 0.000 0.475 162 C N 0.483 119.892 119.300 0.183 0.000 2.354 162 C HA 0.699 5.161 4.460 0.002 0.000 0.381 162 C C 1.477 176.300 174.990 -0.279 0.000 1.240 162 C CA 0.007 59.059 59.018 0.057 0.000 2.089 162 C CB 1.349 29.083 27.740 -0.010 0.000 2.234 162 C HN 0.974 nan 8.230 nan 0.000 0.544 163 A N 0.343 122.778 122.820 -0.641 0.000 1.997 163 A HA 0.384 4.705 4.320 0.002 0.000 0.212 163 A C 0.559 177.746 177.584 -0.662 0.000 1.178 163 A CA 1.111 52.483 52.037 -1.108 0.000 0.698 163 A CB -0.173 17.875 19.000 -1.587 0.000 0.842 163 A HN 1.229 nan 8.150 nan 0.000 0.458 164 V N -4.735 114.963 119.914 -0.360 0.000 2.925 164 V HA 0.503 4.624 4.120 0.002 0.000 0.311 164 V C -2.350 173.693 176.094 -0.084 0.000 1.104 164 V CA -1.668 60.525 62.300 -0.179 0.000 0.954 164 V CB 1.812 33.582 31.823 -0.088 0.000 1.022 164 V HN 0.069 nan 8.190 nan 0.000 0.427 165 P HA -0.110 nan 4.420 nan 0.000 0.219 165 P C 0.919 178.215 177.300 -0.006 0.000 1.146 165 P CA 1.348 64.433 63.100 -0.026 0.000 0.808 165 P CB 0.427 32.113 31.700 -0.023 0.000 0.779 166 E N -0.195 120.014 120.200 0.015 0.000 2.338 166 E HA 0.224 4.576 4.350 0.002 0.000 0.197 166 E C 1.099 177.722 176.600 0.038 0.000 1.007 166 E CA 0.865 57.292 56.400 0.045 0.000 0.849 166 E CB -0.607 29.151 29.700 0.096 0.000 0.774 166 E HN 0.359 nan 8.360 nan 0.000 0.506 167 G N -0.415 108.394 108.800 0.016 0.000 2.742 167 G HA2 0.226 4.187 3.960 0.002 0.000 0.686 167 G HA3 0.226 4.187 3.960 0.002 0.000 0.686 167 G C -0.310 174.606 174.900 0.028 0.000 1.220 167 G CA -0.471 44.640 45.100 0.019 0.000 0.783 167 G HN 0.594 nan 8.290 nan 0.000 0.646 168 S N -0.281 115.442 115.700 0.038 0.000 2.669 168 S HA 0.757 5.229 4.470 0.002 0.000 0.266 168 S C -0.389 174.279 174.600 0.114 0.000 1.149 168 S CA 0.074 58.319 58.200 0.075 0.000 0.842 168 S CB 1.487 64.719 63.200 0.053 0.000 1.160 168 S HN 2.024 nan 8.310 nan 0.000 0.487 169 E N 1.337 121.638 120.200 0.169 0.000 2.392 169 E HA 0.292 4.644 4.350 0.002 0.000 0.256 169 E C -0.830 175.917 176.600 0.245 0.000 1.145 169 E CA -0.407 56.093 56.400 0.166 0.000 0.929 169 E CB 0.079 29.867 29.700 0.146 0.000 0.998 169 E HN 0.755 nan 8.360 nan 0.000 0.442 170 N N 0.634 119.433 118.700 0.165 0.000 2.249 170 N HA 0.390 5.131 4.740 0.002 0.000 0.296 170 N C -1.384 174.165 175.510 0.064 0.000 1.051 170 N CA -0.538 52.617 53.050 0.173 0.000 0.815 170 N CB 2.103 40.640 38.487 0.082 0.000 1.487 170 N HN 0.623 nan 8.380 nan 0.000 0.475 171 D N -0.159 120.237 120.400 -0.007 0.000 2.792 171 D HA 0.121 4.762 4.640 0.002 0.000 0.335 171 D C 0.616 176.905 176.300 -0.020 0.000 1.353 171 D CA -0.663 53.335 54.000 -0.004 0.000 0.839 171 D CB 0.465 41.228 40.800 -0.062 0.000 1.396 171 D HN 0.214 nan 8.370 nan 0.000 0.479 172 M N 0.076 119.743 119.600 0.112 0.000 2.195 172 M HA 0.028 4.509 4.480 0.002 0.000 0.260 172 M C 1.841 178.156 176.300 0.024 0.000 1.066 172 M CA 1.795 57.175 55.300 0.134 0.000 1.089 172 M CB -0.375 32.296 32.600 0.117 0.000 1.377 172 M HN 0.461 nan 8.290 nan 0.000 0.411 173 R N -1.259 119.149 120.500 -0.153 0.000 2.096 173 R HA -0.183 4.158 4.340 0.002 0.000 0.240 173 R C 2.072 178.393 176.300 0.034 0.000 1.139 173 R CA 2.129 58.135 56.100 -0.157 0.000 0.952 173 R CB -0.743 29.286 30.300 -0.451 0.000 0.854 173 R HN 0.437 nan 8.270 nan 0.000 0.436 174 F N -0.392 119.611 119.950 0.088 0.000 2.456 174 F HA -0.086 4.442 4.527 0.002 0.000 0.298 174 F C 2.267 178.011 175.800 -0.094 0.000 1.104 174 F CA -0.122 57.889 58.000 0.020 0.000 1.435 174 F CB -0.013 39.020 39.000 0.054 0.000 1.078 174 F HN -0.166 nan 8.300 nan 0.000 0.546 175 V N -0.316 119.692 119.914 0.158 0.000 2.427 175 V HA -0.327 3.794 4.120 0.002 0.000 0.248 175 V C 2.041 178.136 176.094 0.000 0.000 1.051 175 V CA 1.812 64.168 62.300 0.094 0.000 1.048 175 V CB -0.747 31.204 31.823 0.213 0.000 0.666 175 V HN 0.393 nan 8.190 nan 0.000 0.456 176 Y N 0.258 120.531 120.300 -0.045 0.000 2.200 176 Y HA -0.249 4.303 4.550 0.003 0.000 0.290 176 Y C 2.539 178.311 175.900 -0.215 0.000 1.137 176 Y CA 1.621 59.667 58.100 -0.089 0.000 1.163 176 Y CB -0.723 37.722 38.460 -0.025 0.000 0.988 176 Y HN 0.241 nan 8.280 nan 0.000 0.518 177 C N 0.438 119.563 119.300 -0.292 0.000 2.429 177 C HA -0.145 4.316 4.460 0.002 0.000 0.277 177 C C 3.079 177.789 174.990 -0.467 0.000 1.262 177 C CA 1.254 59.996 59.018 -0.459 0.000 1.733 177 C CB -1.774 25.930 27.740 -0.060 0.000 2.010 177 C HN 0.737 nan 8.230 nan 0.000 0.483 178 A N 0.444 122.964 122.820 -0.501 0.000 1.883 178 A HA -0.176 4.145 4.320 0.002 0.000 0.217 178 A C 2.265 179.591 177.584 -0.430 0.000 1.186 178 A CA 2.396 54.056 52.037 -0.628 0.000 0.624 178 A CB -0.855 17.302 19.000 -1.405 0.000 0.822 178 A HN 0.564 nan 8.150 nan 0.000 0.444 179 S N -0.921 114.588 115.700 -0.318 0.000 2.368 179 S HA -0.204 4.267 4.470 0.002 0.000 0.225 179 S C 1.956 176.382 174.600 -0.290 0.000 1.030 179 S CA 1.443 59.570 58.200 -0.122 0.000 0.999 179 S CB -0.721 62.521 63.200 0.071 0.000 0.844 179 S HN 0.718 nan 8.310 nan 0.000 0.459 180 C N 1.307 120.320 119.300 -0.479 0.000 2.429 180 C HA 0.019 4.480 4.460 0.002 0.000 0.277 180 C C 2.449 177.311 174.990 -0.212 0.000 1.262 180 C CA 0.249 59.022 59.018 -0.408 0.000 1.733 180 C CB -1.364 25.916 27.740 -0.767 0.000 2.010 180 C HN 0.548 nan 8.230 nan 0.000 0.483 181 I N 0.088 120.504 120.570 -0.257 0.000 2.142 181 I HA -0.254 3.918 4.170 0.002 0.000 0.240 181 I C 2.605 178.567 176.117 -0.260 0.000 1.078 181 I CA 1.512 62.706 61.300 -0.177 0.000 1.343 181 I CB -0.581 37.317 38.000 -0.169 0.000 1.046 181 I HN 0.366 nan 8.210 nan 0.000 0.405 182 C N -0.227 118.786 119.300 -0.479 0.000 2.413 182 C HA -0.238 4.223 4.460 0.002 0.000 0.276 182 C C 2.808 177.285 174.990 -0.855 0.000 1.248 182 C CA 0.816 59.344 59.018 -0.816 0.000 1.742 182 C CB -1.042 25.842 27.740 -1.428 0.000 2.017 182 C HN 0.511 nan 8.230 nan 0.000 0.481 183 Y N 0.937 120.781 120.300 -0.760 0.000 2.163 183 Y HA -0.177 4.375 4.550 0.003 0.000 0.288 183 Y C 2.502 178.389 175.900 -0.023 0.000 1.136 183 Y CA 1.760 59.700 58.100 -0.266 0.000 1.147 183 Y CB -0.357 38.092 38.460 -0.018 0.000 0.987 183 Y HN 0.233 nan 8.280 nan 0.000 0.509 184 M N -0.585 119.109 119.600 0.157 0.000 2.175 184 M HA -0.192 4.289 4.480 0.002 0.000 0.264 184 M C 1.651 178.128 176.300 0.294 0.000 1.063 184 M CA 1.444 56.873 55.300 0.215 0.000 1.119 184 M CB -0.267 32.415 32.600 0.136 0.000 1.377 184 M HN 0.267 nan 8.290 nan 0.000 0.415 185 L N -0.127 121.161 121.223 0.109 0.000 2.591 185 L HA 0.040 4.381 4.340 0.002 0.000 0.228 185 L C 0.430 177.333 176.870 0.055 0.000 1.133 185 L CA -0.208 54.727 54.840 0.158 0.000 0.880 185 L CB -0.751 41.300 42.059 -0.013 0.000 1.033 185 L HN 0.413 nan 8.230 nan 0.000 0.450 186 N N 2.064 120.650 118.700 -0.190 0.000 2.716 186 N HA -0.265 4.476 4.740 0.002 0.000 0.250 186 N C -0.470 174.919 175.510 -0.203 0.000 1.033 186 N CA 0.463 53.269 53.050 -0.408 0.000 0.727 186 N CB -0.899 37.058 38.487 -0.884 0.000 0.950 186 N HN 0.455 nan 8.380 nan 0.000 0.541 187 N N -0.192 118.348 118.700 -0.267 0.000 2.542 187 N HA 0.170 4.912 4.740 0.002 0.000 0.288 187 N C -0.719 174.636 175.510 -0.258 0.000 1.115 187 N CA -0.521 52.443 53.050 -0.144 0.000 0.924 187 N CB 0.109 38.538 38.487 -0.097 0.000 1.526 187 N HN 0.250 nan 8.380 nan 0.000 0.515 188 W N 1.937 123.238 121.300 0.002 0.000 3.400 188 W HA 0.153 4.814 4.660 0.001 0.000 0.347 188 W C 1.837 178.373 176.519 0.028 0.000 1.218 188 W CA -0.138 57.220 57.345 0.022 0.000 1.837 188 W CB 0.122 29.599 29.460 0.029 0.000 1.067 188 W HN 0.646 nan 8.180 nan 0.000 0.701 189 S N -1.304 114.471 115.700 0.125 0.000 2.603 189 S HA 0.005 4.476 4.470 0.002 0.000 0.229 189 S C 1.933 176.579 174.600 0.078 0.000 0.972 189 S CA 0.818 59.075 58.200 0.095 0.000 0.935 189 S CB -0.400 62.829 63.200 0.048 0.000 0.769 189 S HN 0.264 nan 8.310 nan 0.000 0.536 190 G N 1.360 110.193 108.800 0.055 0.000 2.598 190 G HA2 0.311 4.273 3.960 0.002 0.000 0.215 190 G HA3 0.311 4.273 3.960 0.002 0.000 0.215 190 G C 0.368 175.365 174.900 0.163 0.000 1.131 190 G CA 0.542 45.673 45.100 0.053 0.000 0.785 190 G HN 0.746 nan 8.290 nan 0.000 0.539 191 M N -2.216 117.517 119.600 0.221 0.000 2.644 191 M HA 0.477 4.958 4.480 0.002 0.000 0.273 191 M C -2.180 174.253 176.300 0.221 0.000 1.253 191 M CA -1.034 54.453 55.300 0.312 0.000 0.852 191 M CB 2.187 35.091 32.600 0.506 0.000 1.708 191 M HN -0.181 nan 8.290 nan 0.000 0.471 192 D N 2.315 122.807 120.400 0.154 0.000 2.468 192 D HA 0.236 4.878 4.640 0.002 0.000 0.218 192 D C 0.613 176.983 176.300 0.116 0.000 1.155 192 D CA -0.156 53.900 54.000 0.093 0.000 0.924 192 D CB 0.973 41.788 40.800 0.026 0.000 1.029 192 D HN 0.868 nan 8.370 nan 0.000 0.515 193 M N 3.621 123.301 119.600 0.133 0.000 2.106 193 M HA -0.218 4.264 4.480 0.002 0.000 0.259 193 M C 1.891 178.219 176.300 0.047 0.000 1.068 193 M CA 1.554 56.915 55.300 0.103 0.000 1.100 193 M CB 0.120 32.737 32.600 0.028 0.000 1.351 193 M HN 0.260 nan 8.290 nan 0.000 0.404 194 K N 0.150 120.564 120.400 0.024 0.000 2.063 194 K HA -0.208 4.113 4.320 0.002 0.000 0.208 194 K C 1.763 178.373 176.600 0.017 0.000 1.048 194 K CA 1.652 57.941 56.287 0.003 0.000 0.928 194 K CB -0.009 32.489 32.500 -0.003 0.000 0.713 194 K HN 0.390 nan 8.250 nan 0.000 0.442 195 K N -0.222 120.196 120.400 0.030 0.000 2.103 195 K HA -0.033 4.289 4.320 0.002 0.000 0.204 195 K C 2.136 178.782 176.600 0.077 0.000 1.052 195 K CA 0.902 57.209 56.287 0.034 0.000 0.945 195 K CB -0.025 32.475 32.500 -0.000 0.000 0.722 195 K HN 0.183 nan 8.250 nan 0.000 0.443 196 A N 1.621 124.504 122.820 0.105 0.000 1.902 196 A HA -0.144 4.178 4.320 0.002 0.000 0.217 196 A C 2.095 179.775 177.584 0.161 0.000 1.181 196 A CA 1.227 53.373 52.037 0.181 0.000 0.623 196 A CB -0.571 18.586 19.000 0.262 0.000 0.818 196 A HN 0.157 nan 8.150 nan 0.000 0.443 197 I N -0.542 120.074 120.570 0.077 0.000 2.208 197 I HA -0.241 3.930 4.170 0.002 0.000 0.245 197 I C 2.869 178.983 176.117 -0.004 0.000 1.097 197 I CA 1.578 62.879 61.300 0.003 0.000 1.363 197 I CB -0.217 37.750 38.000 -0.057 0.000 1.051 197 I HN 0.446 nan 8.210 nan 0.000 0.413 198 S N 0.052 115.766 115.700 0.025 0.000 2.368 198 S HA -0.277 4.195 4.470 0.002 0.000 0.225 198 S C 2.179 176.811 174.600 0.054 0.000 1.030 198 S CA 1.362 59.573 58.200 0.019 0.000 0.999 198 S CB -0.457 62.760 63.200 0.030 0.000 0.844 198 S HN 0.498 nan 8.310 nan 0.000 0.459 199 Y N 1.740 122.041 120.300 0.001 0.000 2.181 199 Y HA -0.043 4.509 4.550 0.002 0.000 0.288 199 Y C 1.920 177.833 175.900 0.022 0.000 1.146 199 Y CA 1.796 59.906 58.100 0.016 0.000 1.164 199 Y CB -0.351 38.133 38.460 0.038 0.000 0.982 199 Y HN 0.304 nan 8.280 nan 0.000 0.515 200 I N -0.260 120.385 120.570 0.126 0.000 2.179 200 I HA -0.333 3.838 4.170 0.002 0.000 0.242 200 I C 2.570 178.690 176.117 0.006 0.000 1.088 200 I CA 1.479 62.817 61.300 0.063 0.000 1.357 200 I CB -0.454 37.600 38.000 0.089 0.000 1.051 200 I HN 0.155 nan 8.210 nan 0.000 0.409 201 R N 0.628 121.103 120.500 -0.041 0.000 2.073 201 R HA -0.129 4.213 4.340 0.002 0.000 0.234 201 R C 2.375 178.670 176.300 -0.009 0.000 1.134 201 R CA 1.332 57.427 56.100 -0.009 0.000 0.952 201 R CB -0.283 29.963 30.300 -0.090 0.000 0.850 201 R HN 0.341 nan 8.270 nan 0.000 0.433 202 R N 0.331 120.778 120.500 -0.089 0.000 2.293 202 R HA -0.057 4.284 4.340 0.002 0.000 0.219 202 R C 2.131 178.322 176.300 -0.183 0.000 1.091 202 R CA 1.347 57.372 56.100 -0.125 0.000 1.004 202 R CB -0.053 30.160 30.300 -0.146 0.000 0.865 202 R HN 0.248 nan 8.270 nan 0.000 0.469 203 S N -0.144 115.418 115.700 -0.229 0.000 2.562 203 S HA -0.011 4.460 4.470 0.002 0.000 0.221 203 S C 0.913 175.416 174.600 -0.163 0.000 0.975 203 S CA -0.249 57.808 58.200 -0.239 0.000 0.918 203 S CB -0.028 63.007 63.200 -0.274 0.000 0.772 203 S HN 0.188 nan 8.310 nan 0.000 0.531 204 M N 3.163 122.700 119.600 -0.106 0.000 2.246 204 M HA 0.224 4.706 4.480 0.002 0.000 0.350 204 M C 0.338 176.548 176.300 -0.152 0.000 1.406 204 M CA 0.037 55.254 55.300 -0.138 0.000 1.089 204 M CB 0.700 33.263 32.600 -0.061 0.000 1.782 204 M HN 0.321 nan 8.290 nan 0.000 0.457 205 S N 3.616 119.168 115.700 -0.245 0.000 2.681 205 S HA 0.209 4.680 4.470 0.002 0.000 0.270 205 S C 0.729 175.200 174.600 -0.215 0.000 1.209 205 S CA -0.445 57.611 58.200 -0.241 0.000 0.988 205 S CB 0.504 63.462 63.200 -0.403 0.000 1.006 205 S HN 0.752 nan 8.310 nan 0.000 0.558 206 Y N 0.708 120.971 120.300 -0.062 0.000 2.421 206 Y HA 0.066 4.618 4.550 0.002 0.000 0.292 206 Y C 1.491 177.380 175.900 -0.019 0.000 1.136 206 Y CA 1.268 59.348 58.100 -0.034 0.000 1.255 206 Y CB -0.742 37.709 38.460 -0.015 0.000 0.991 206 Y HN 0.640 nan 8.280 nan 0.000 0.552 207 D N -1.042 118.900 120.400 -0.763 0.000 2.340 207 D HA -0.056 4.586 4.640 0.002 0.000 0.220 207 D C 0.192 176.388 176.300 -0.174 0.000 1.039 207 D CA 0.486 54.276 54.000 -0.350 0.000 0.866 207 D CB -0.629 39.963 40.800 -0.346 0.000 0.913 207 D HN 0.444 nan 8.370 nan 0.000 0.523 208 N N -1.128 117.397 118.700 -0.290 0.000 2.965 208 N HA -0.098 4.644 4.740 0.002 0.000 0.232 208 N C 0.685 175.873 175.510 -0.537 0.000 0.913 208 N CA 1.193 54.070 53.050 -0.289 0.000 0.981 208 N CB -1.595 36.827 38.487 -0.108 0.000 1.077 208 N HN 0.491 nan 8.380 nan 0.000 0.589 209 G N -0.058 108.107 108.800 -1.059 0.000 2.557 209 G HA2 0.601 4.563 3.960 0.002 0.000 0.292 209 G HA3 0.601 4.563 3.960 0.002 0.000 0.292 209 G C -0.286 174.084 174.900 -0.883 0.000 1.237 209 G CA -0.359 43.773 45.100 -1.613 0.000 0.978 209 G HN 0.032 nan 8.290 nan 0.000 0.498 210 L N 0.323 121.116 121.223 -0.717 0.000 2.317 210 L HA 0.688 5.029 4.340 0.002 0.000 0.281 210 L C 0.774 177.459 176.870 -0.308 0.000 1.024 210 L CA -0.609 54.002 54.840 -0.382 0.000 0.810 210 L CB 1.193 43.117 42.059 -0.225 0.000 1.240 210 L HN 0.706 nan 8.230 nan 0.000 0.427 211 A N 2.111 124.801 122.820 -0.218 0.000 2.263 211 A HA 0.506 4.827 4.320 0.002 0.000 0.318 211 A C 0.763 178.290 177.584 -0.096 0.000 1.111 211 A CA -0.356 51.596 52.037 -0.141 0.000 0.901 211 A CB 0.640 19.565 19.000 -0.126 0.000 1.280 211 A HN 0.701 nan 8.150 nan 0.000 0.503 212 Q N -0.581 119.177 119.800 -0.069 0.000 2.291 212 Q HA 0.079 4.420 4.340 0.002 0.000 0.206 212 Q C 0.737 176.762 176.000 0.041 0.000 0.976 212 Q CA 1.373 57.158 55.803 -0.031 0.000 0.875 212 Q CB -0.031 28.669 28.738 -0.064 0.000 0.927 212 Q HN 0.911 nan 8.270 nan 0.000 0.450 213 G N -1.394 107.378 108.800 -0.046 0.000 2.576 213 G HA2 0.504 4.465 3.960 0.002 0.000 0.290 213 G HA3 0.504 4.465 3.960 0.002 0.000 0.290 213 G C -1.540 173.261 174.900 -0.164 0.000 1.442 213 G CA -0.401 44.627 45.100 -0.120 0.000 0.792 213 G HN 0.135 nan 8.290 nan 0.000 0.491 214 A N -0.720 121.970 122.820 -0.217 0.000 2.584 214 A HA 0.511 4.832 4.320 0.002 0.000 0.239 214 A C 1.794 179.342 177.584 -0.060 0.000 1.043 214 A CA 1.855 53.809 52.037 -0.137 0.000 0.756 214 A CB -0.371 18.560 19.000 -0.116 0.000 0.963 214 A HN 2.860 nan 8.150 nan 0.000 0.511 215 G N 0.868 109.644 108.800 -0.039 0.000 2.267 215 G HA2 -0.196 3.765 3.960 0.002 0.000 0.257 215 G HA3 -0.196 3.765 3.960 0.002 0.000 0.257 215 G C 0.176 175.083 174.900 0.012 0.000 0.998 215 G CA 0.427 45.528 45.100 0.002 0.000 0.620 215 G HN 0.778 nan 8.290 nan 0.000 0.529 216 L N 1.205 122.419 121.223 -0.014 0.000 2.466 216 L HA 0.484 4.825 4.340 0.002 0.000 0.257 216 L C 1.058 177.921 176.870 -0.012 0.000 1.189 216 L CA -0.668 54.169 54.840 -0.006 0.000 0.813 216 L CB 0.660 42.708 42.059 -0.019 0.000 1.118 216 L HN 0.457 nan 8.230 nan 0.000 0.471 217 E N 0.385 120.591 120.200 0.010 0.000 2.417 217 E HA 0.081 4.433 4.350 0.002 0.000 0.261 217 E C -0.291 176.295 176.600 -0.024 0.000 1.000 217 E CA -0.368 56.041 56.400 0.013 0.000 0.919 217 E CB 0.644 30.378 29.700 0.057 0.000 0.955 217 E HN 0.637 nan 8.360 nan 0.000 0.455 218 S N 4.496 120.128 115.700 -0.114 0.000 2.568 218 S HA 0.045 4.516 4.470 0.002 0.000 0.282 218 S C -0.178 174.419 174.600 -0.006 0.000 1.338 218 S CA -0.435 57.615 58.200 -0.249 0.000 1.045 218 S CB 0.909 63.710 63.200 -0.665 0.000 0.873 218 S HN 0.661 nan 8.310 nan 0.000 0.516 219 H N 0.407 119.383 119.070 -0.158 0.000 2.996 219 H HA 0.363 4.921 4.556 0.002 0.000 0.368 219 H C 1.097 176.499 175.328 0.125 0.000 1.185 219 H CA -0.012 56.069 56.048 0.054 0.000 1.160 219 H CB 1.608 31.355 29.762 -0.025 0.000 1.820 219 H HN 0.727 nan 8.280 nan 0.000 0.547 220 G N 1.676 110.470 108.800 -0.011 0.000 2.450 220 G HA2 -0.228 3.733 3.960 0.002 0.000 0.220 220 G HA3 -0.228 3.733 3.960 0.002 0.000 0.220 220 G C 1.436 176.501 174.900 0.275 0.000 1.130 220 G CA 0.827 46.049 45.100 0.203 0.000 0.760 220 G HN 0.648 nan 8.290 nan 0.000 0.557 221 G N 0.964 109.996 108.800 0.387 0.000 2.404 221 G HA2 -0.151 3.811 3.960 0.002 0.000 0.215 221 G HA3 -0.151 3.811 3.960 0.002 0.000 0.215 221 G C 2.219 177.094 174.900 -0.042 0.000 1.174 221 G CA 1.776 46.818 45.100 -0.096 0.000 0.780 221 G HN 0.634 nan 8.290 nan 0.000 0.537 222 S N -0.026 115.700 115.700 0.043 0.000 2.406 222 S HA -0.070 4.401 4.470 0.002 0.000 0.228 222 S C 2.212 176.806 174.600 -0.011 0.000 1.020 222 S CA 1.786 59.973 58.200 -0.021 0.000 0.965 222 S CB -0.586 62.585 63.200 -0.049 0.000 0.798 222 S HN 0.245 nan 8.310 nan 0.000 0.488 223 T N 1.975 116.531 114.554 0.002 0.000 2.821 223 T HA 0.030 4.382 4.350 0.002 0.000 0.267 223 T C 1.257 175.975 174.700 0.030 0.000 1.046 223 T CA 1.348 63.425 62.100 -0.039 0.000 1.139 223 T CB -0.514 68.317 68.868 -0.061 0.000 0.871 223 T HN 0.508 nan 8.240 nan 0.000 0.454 224 F N 1.431 121.380 119.950 -0.003 0.000 2.102 224 F HA -0.134 4.394 4.527 0.002 0.000 0.298 224 F C 2.392 178.151 175.800 -0.069 0.000 1.105 224 F CA 0.681 58.675 58.000 -0.011 0.000 1.239 224 F CB -0.841 38.209 39.000 0.084 0.000 0.991 224 F HN 0.139 nan 8.300 nan 0.000 0.474 225 C N 1.040 120.229 119.300 -0.184 0.000 2.413 225 C HA -0.094 4.367 4.460 0.002 0.000 0.276 225 C C 3.087 177.999 174.990 -0.130 0.000 1.248 225 C CA 1.251 60.108 59.018 -0.269 0.000 1.742 225 C CB -1.965 25.756 27.740 -0.032 0.000 2.017 225 C HN 0.750 nan 8.230 nan 0.000 0.481 226 G N 0.649 109.414 108.800 -0.058 0.000 2.434 226 G HA2 -0.105 3.856 3.960 0.002 0.000 0.214 226 G HA3 -0.105 3.856 3.960 0.002 0.000 0.214 226 G C 1.383 176.290 174.900 0.011 0.000 1.202 226 G CA 0.724 45.839 45.100 0.025 0.000 0.788 226 G HN 0.345 nan 8.290 nan 0.000 0.539 227 I N 2.106 122.653 120.570 -0.039 0.000 2.163 227 I HA -0.164 4.007 4.170 0.002 0.000 0.243 227 I C 3.288 179.352 176.117 -0.089 0.000 1.085 227 I CA 1.327 62.614 61.300 -0.020 0.000 1.347 227 I CB -1.395 36.584 38.000 -0.036 0.000 1.044 227 I HN 0.263 nan 8.210 nan 0.000 0.408 228 A N 0.268 122.909 122.820 -0.299 0.000 1.933 228 A HA -0.178 4.143 4.320 0.002 0.000 0.218 228 A C 2.601 180.185 177.584 0.000 0.000 1.175 228 A CA 2.099 53.978 52.037 -0.264 0.000 0.628 228 A CB -0.736 17.796 19.000 -0.779 0.000 0.814 228 A HN 0.429 nan 8.150 nan 0.000 0.444 229 S N -0.066 115.670 115.700 0.060 0.000 2.356 229 S HA -0.111 4.360 4.470 0.002 0.000 0.223 229 S C 1.838 176.491 174.600 0.088 0.000 1.032 229 S CA 1.504 59.784 58.200 0.134 0.000 1.005 229 S CB -0.495 62.795 63.200 0.151 0.000 0.867 229 S HN 0.524 nan 8.310 nan 0.000 0.449 230 L N 0.715 121.966 121.223 0.047 0.000 2.042 230 L HA -0.189 4.152 4.340 0.002 0.000 0.210 230 L C 2.591 179.468 176.870 0.011 0.000 1.076 230 L CA 0.937 55.783 54.840 0.010 0.000 0.749 230 L CB -0.794 41.277 42.059 0.020 0.000 0.893 230 L HN 0.429 nan 8.230 nan 0.000 0.432 231 C N -0.675 118.646 119.300 0.034 0.000 2.446 231 C HA -0.127 4.334 4.460 0.002 0.000 0.277 231 C C 2.650 177.684 174.990 0.073 0.000 1.275 231 C CA 0.088 59.134 59.018 0.047 0.000 1.727 231 C CB -0.707 27.061 27.740 0.047 0.000 2.010 231 C HN 0.395 nan 8.230 nan 0.000 0.486 232 L N 0.252 121.526 121.223 0.084 0.000 2.131 232 L HA -0.077 4.264 4.340 0.002 0.000 0.210 232 L C 2.346 179.385 176.870 0.283 0.000 1.092 232 L CA 1.815 56.742 54.840 0.145 0.000 0.759 232 L CB -0.694 41.457 42.059 0.154 0.000 0.903 232 L HN 0.365 nan 8.230 nan 0.000 0.435 233 M N -1.658 117.943 119.600 0.002 0.000 2.506 233 M HA 0.163 4.644 4.480 0.002 0.000 0.260 233 M C 1.187 177.347 176.300 -0.233 0.000 1.104 233 M CA 0.771 55.818 55.300 -0.422 0.000 1.112 233 M CB -0.140 32.190 32.600 -0.449 0.000 1.401 233 M HN 0.349 nan 8.290 nan 0.000 0.473 234 G N 2.056 110.823 108.800 -0.055 0.000 2.256 234 G HA2 -0.256 3.706 3.960 0.002 0.000 0.272 234 G HA3 -0.256 3.706 3.960 0.002 0.000 0.272 234 G C 0.278 175.143 174.900 -0.058 0.000 1.076 234 G CA 0.230 45.318 45.100 -0.020 0.000 0.882 234 G HN 0.521 nan 8.290 nan 0.000 0.497 235 K N -0.736 119.625 120.400 -0.065 0.000 2.589 235 K HA 0.337 4.658 4.320 0.002 0.000 0.198 235 K C 2.044 178.613 176.600 -0.052 0.000 1.114 235 K CA -0.507 55.734 56.287 -0.075 0.000 1.070 235 K CB 0.247 32.673 32.500 -0.123 0.000 0.860 235 K HN 0.322 nan 8.250 nan 0.000 0.536 236 L N 1.505 122.726 121.223 -0.003 0.000 1.971 236 L HA -0.253 4.088 4.340 0.002 0.000 0.215 236 L C 1.834 178.740 176.870 0.061 0.000 1.072 236 L CA 1.875 56.747 54.840 0.052 0.000 0.758 236 L CB -0.016 42.092 42.059 0.082 0.000 0.889 236 L HN 0.337 nan 8.230 nan 0.000 0.433 237 E N -0.375 119.852 120.200 0.045 0.000 2.118 237 E HA -0.308 4.043 4.350 0.002 0.000 0.195 237 E C 1.883 178.494 176.600 0.018 0.000 0.992 237 E CA 1.498 57.926 56.400 0.046 0.000 0.804 237 E CB -0.225 29.495 29.700 0.033 0.000 0.741 237 E HN 0.608 nan 8.360 nan 0.000 0.458 238 E N 0.786 120.975 120.200 -0.019 0.000 2.107 238 E HA -0.112 4.239 4.350 0.002 0.000 0.191 238 E C 2.039 178.588 176.600 -0.086 0.000 0.982 238 E CA 0.815 57.188 56.400 -0.045 0.000 0.809 238 E CB 0.323 29.988 29.700 -0.059 0.000 0.756 238 E HN 0.023 nan 8.360 nan 0.000 0.459 239 V N 0.268 120.091 119.914 -0.152 0.000 2.446 239 V HA 0.005 4.126 4.120 0.002 0.000 0.244 239 V C 0.737 176.596 176.094 -0.391 0.000 1.039 239 V CA 0.965 63.066 62.300 -0.331 0.000 1.045 239 V CB -0.181 31.330 31.823 -0.519 0.000 0.681 239 V HN 0.107 nan 8.190 nan 0.000 0.459 240 F N 0.484 120.426 119.950 -0.013 0.000 2.469 240 F HA 0.484 5.013 4.527 0.002 0.000 0.332 240 F C 0.861 176.657 175.800 -0.005 0.000 1.103 240 F CA -0.750 57.243 58.000 -0.012 0.000 0.979 240 F CB 1.574 40.566 39.000 -0.014 0.000 1.137 240 F HN -0.021 nan 8.300 nan 0.000 0.463 241 S N 0.995 116.822 115.700 0.211 0.000 2.608 241 S HA 0.067 4.538 4.470 0.002 0.000 0.261 241 S C 1.125 175.784 174.600 0.098 0.000 1.314 241 S CA -0.420 57.848 58.200 0.113 0.000 0.992 241 S CB 1.239 64.489 63.200 0.082 0.000 0.935 241 S HN 0.878 nan 8.310 nan 0.000 0.564 242 E N 0.836 121.075 120.200 0.064 0.000 2.085 242 E HA -0.216 4.135 4.350 0.002 0.000 0.194 242 E C 1.866 178.488 176.600 0.037 0.000 0.994 242 E CA 1.150 57.580 56.400 0.050 0.000 0.801 242 E CB -0.134 29.589 29.700 0.038 0.000 0.743 242 E HN 0.656 nan 8.360 nan 0.000 0.453 243 K N 0.335 120.756 120.400 0.034 0.000 2.057 243 K HA -0.180 4.141 4.320 0.002 0.000 0.207 243 K C 2.062 178.667 176.600 0.008 0.000 1.049 243 K CA 1.565 57.865 56.287 0.021 0.000 0.931 243 K CB -0.025 32.488 32.500 0.022 0.000 0.714 243 K HN 0.230 nan 8.250 nan 0.000 0.440 244 E N 0.549 120.760 120.200 0.018 0.000 2.051 244 E HA -0.153 4.199 4.350 0.002 0.000 0.192 244 E C 2.115 178.643 176.600 -0.120 0.000 0.991 244 E CA 0.972 57.350 56.400 -0.036 0.000 0.799 244 E CB -0.035 29.701 29.700 0.060 0.000 0.748 244 E HN 0.198 nan 8.360 nan 0.000 0.449 245 L N 0.881 122.072 121.223 -0.053 0.000 2.083 245 L HA -0.219 4.122 4.340 0.002 0.000 0.209 245 L C 1.999 178.847 176.870 -0.036 0.000 1.083 245 L CA 1.163 55.965 54.840 -0.062 0.000 0.752 245 L CB -0.436 41.639 42.059 0.026 0.000 0.899 245 L HN 0.204 nan 8.230 nan 0.000 0.433 246 N N -0.401 118.293 118.700 -0.010 0.000 2.166 246 N HA -0.162 4.579 4.740 0.002 0.000 0.186 246 N C 1.920 177.431 175.510 0.001 0.000 1.019 246 N CA 0.850 53.903 53.050 0.005 0.000 0.856 246 N CB 0.006 38.498 38.487 0.008 0.000 0.993 246 N HN 0.283 nan 8.380 nan 0.000 0.426 247 R N 0.608 121.096 120.500 -0.021 0.000 2.092 247 R HA 0.025 4.367 4.340 0.002 0.000 0.231 247 R C 2.108 178.407 176.300 -0.002 0.000 1.119 247 R CA 0.837 56.930 56.100 -0.012 0.000 0.970 247 R CB -0.199 30.079 30.300 -0.037 0.000 0.864 247 R HN 0.262 nan 8.270 nan 0.000 0.440 248 I N 1.041 121.565 120.570 -0.078 0.000 2.252 248 I HA -0.277 3.894 4.170 0.002 0.000 0.245 248 I C 2.055 178.216 176.117 0.073 0.000 1.102 248 I CA 1.421 62.676 61.300 -0.074 0.000 1.385 248 I CB -0.237 37.617 38.000 -0.243 0.000 1.064 248 I HN 0.115 nan 8.210 nan 0.000 0.414 249 K N 0.457 120.887 120.400 0.050 0.000 2.032 249 K HA -0.250 4.071 4.320 0.002 0.000 0.209 249 K C 2.250 178.919 176.600 0.114 0.000 1.048 249 K CA 1.522 57.865 56.287 0.094 0.000 0.927 249 K CB -0.249 32.297 32.500 0.077 0.000 0.712 249 K HN 0.066 nan 8.250 nan 0.000 0.441 250 R N 0.572 121.127 120.500 0.092 0.000 2.083 250 R HA -0.192 4.150 4.340 0.002 0.000 0.237 250 R C 1.867 178.230 176.300 0.106 0.000 1.137 250 R CA 1.765 57.911 56.100 0.077 0.000 0.951 250 R CB -0.835 29.501 30.300 0.059 0.000 0.851 250 R HN 0.412 nan 8.270 nan 0.000 0.434 251 W N -0.198 121.084 121.300 -0.029 0.000 2.358 251 W HA -0.218 4.443 4.660 0.002 0.000 0.303 251 W C 2.027 178.548 176.519 0.003 0.000 1.208 251 W CA 1.714 59.040 57.345 -0.032 0.000 1.274 251 W CB -0.512 28.904 29.460 -0.073 0.000 1.138 251 W HN 0.164 nan 8.180 nan 0.000 0.515 252 C N -0.246 119.259 119.300 0.343 0.000 2.453 252 C HA -0.176 4.286 4.460 0.002 0.000 0.277 252 C C 2.664 177.707 174.990 0.089 0.000 1.262 252 C CA 1.161 60.321 59.018 0.237 0.000 1.718 252 C CB -1.496 26.413 27.740 0.282 0.000 2.031 252 C HN 0.445 nan 8.230 nan 0.000 0.480 253 I N 0.479 121.108 120.570 0.098 0.000 2.756 253 I HA -0.129 4.042 4.170 0.002 0.000 0.262 253 I C 1.974 178.076 176.117 -0.025 0.000 1.225 253 I CA 1.059 62.414 61.300 0.092 0.000 1.472 253 I CB -0.063 37.996 38.000 0.097 0.000 1.094 253 I HN 0.261 nan 8.210 nan 0.000 0.454 254 M N -0.229 119.302 119.600 -0.115 0.000 2.619 254 M HA -0.003 4.478 4.480 0.002 0.000 0.251 254 M C 1.720 177.859 176.300 -0.267 0.000 1.106 254 M CA 0.824 56.009 55.300 -0.192 0.000 1.086 254 M CB -0.851 31.616 32.600 -0.222 0.000 1.465 254 M HN 0.152 nan 8.290 nan 0.000 0.506 255 R N 0.339 120.686 120.500 -0.255 0.000 2.235 255 R HA 0.020 4.362 4.340 0.002 0.000 0.213 255 R C 0.881 176.899 176.300 -0.470 0.000 1.059 255 R CA 0.213 56.157 56.100 -0.259 0.000 0.997 255 R CB -0.617 29.659 30.300 -0.040 0.000 0.884 255 R HN 0.539 nan 8.270 nan 0.000 0.462 256 Q N 1.166 120.687 119.800 -0.465 0.000 2.295 256 Q HA -0.004 4.337 4.340 0.002 0.000 0.259 256 Q C 0.202 175.859 176.000 -0.572 0.000 0.976 256 Q CA -0.005 55.308 55.803 -0.816 0.000 0.923 256 Q CB 0.875 29.088 28.738 -0.876 0.000 1.185 256 Q HN -0.004 nan 8.270 nan 0.000 0.410 257 Q N 2.676 122.134 119.800 -0.569 0.000 2.442 257 Q HA 0.095 4.437 4.340 0.002 0.000 0.228 257 Q C 0.227 176.052 176.000 -0.291 0.000 0.902 257 Q CA 1.358 56.926 55.803 -0.392 0.000 0.933 257 Q CB 0.580 29.084 28.738 -0.389 0.000 1.071 257 Q HN 0.852 nan 8.270 nan 0.000 0.562 258 N N -1.062 117.445 118.700 -0.322 0.000 2.587 258 N HA 0.057 4.799 4.740 0.002 0.000 0.341 258 N C 0.778 176.158 175.510 -0.217 0.000 0.585 258 N CA 0.429 53.368 53.050 -0.185 0.000 1.401 258 N CB -0.280 38.161 38.487 -0.075 0.000 1.700 258 N HN 0.094 nan 8.380 nan 0.000 1.698 259 G N -0.988 107.623 108.800 -0.314 0.000 2.641 259 G HA2 0.564 4.525 3.960 0.002 0.000 0.239 259 G HA3 0.564 4.525 3.960 0.002 0.000 0.239 259 G C -1.397 173.295 174.900 -0.346 0.000 1.402 259 G CA -0.304 44.659 45.100 -0.229 0.000 1.046 259 G HN 0.134 nan 8.290 nan 0.000 0.565 260 Y N -0.691 119.539 120.300 -0.116 0.000 2.485 260 Y HA 0.454 5.005 4.550 0.002 0.000 0.345 260 Y C 0.695 176.609 175.900 0.025 0.000 0.998 260 Y CA -0.865 57.191 58.100 -0.073 0.000 1.059 260 Y CB 1.722 40.219 38.460 0.061 0.000 1.234 260 Y HN 0.717 nan 8.280 nan 0.000 0.461 261 H N -1.595 117.475 119.070 -0.000 0.000 2.615 261 H HA 0.635 5.193 4.556 0.002 0.000 0.346 261 H C 0.391 175.377 175.328 -0.571 0.000 1.200 261 H CA -0.905 55.049 56.048 -0.157 0.000 1.264 261 H CB 1.957 31.624 29.762 -0.158 0.000 1.699 261 H HN 0.810 nan 8.280 nan 0.000 0.567 262 G N -0.115 108.134 108.800 -0.918 0.000 2.744 262 G HA2 0.141 4.103 3.960 0.002 0.000 0.211 262 G HA3 0.141 4.103 3.960 0.002 0.000 0.211 262 G C 0.357 174.768 174.900 -0.816 0.000 1.146 262 G CA -0.242 44.015 45.100 -1.404 0.000 0.787 262 G HN 0.539 nan 8.290 nan 0.000 0.534 263 R N -0.762 119.291 120.500 -0.745 0.000 2.680 263 R HA 0.328 4.669 4.340 0.002 0.000 0.269 263 R C -3.157 172.615 176.300 -0.880 0.000 1.026 263 R CA -1.867 53.913 56.100 -0.533 0.000 0.889 263 R CB 1.671 31.821 30.300 -0.251 0.000 1.241 263 R HN -0.154 nan 8.270 nan 0.000 0.463 264 P HA -0.013 nan 4.420 nan 0.000 0.265 264 P C -0.624 176.503 177.300 -0.287 0.000 1.187 264 P CA 0.566 63.443 63.100 -0.371 0.000 0.766 264 P CB 0.258 31.871 31.700 -0.145 0.000 0.820 265 N N -1.372 117.246 118.700 -0.138 0.000 2.741 265 N HA -0.189 4.553 4.740 0.002 0.000 0.251 265 N C -0.290 175.177 175.510 -0.071 0.000 1.112 265 N CA 0.937 53.952 53.050 -0.059 0.000 0.750 265 N CB -0.602 37.861 38.487 -0.039 0.000 1.119 265 N HN 0.389 nan 8.380 nan 0.000 0.561 266 K N 0.397 120.705 120.400 -0.153 0.000 2.208 266 K HA 0.462 4.784 4.320 0.002 0.000 0.247 266 K C -2.401 174.244 176.600 0.075 0.000 0.953 266 K CA -1.674 54.573 56.287 -0.067 0.000 0.837 266 K CB 1.365 33.777 32.500 -0.147 0.000 1.131 266 K HN -0.112 nan 8.250 nan 0.000 0.431 267 P HA 0.011 nan 4.420 nan 0.000 0.271 267 P C 0.151 177.581 177.300 0.217 0.000 1.218 267 P CA -0.444 62.715 63.100 0.097 0.000 0.780 267 P CB 0.489 32.180 31.700 -0.016 0.000 0.901 268 V N -0.871 119.109 119.914 0.110 0.000 2.963 268 V HA 0.360 4.482 4.120 0.002 0.000 0.306 268 V C 0.049 176.365 176.094 0.370 0.000 1.077 268 V CA 0.041 62.395 62.300 0.090 0.000 1.124 268 V CB 0.452 32.066 31.823 -0.347 0.000 0.987 268 V HN 0.628 nan 8.190 nan 0.000 0.487 269 D N 1.569 122.233 120.400 0.439 0.000 2.970 269 D HA 0.309 4.950 4.640 0.002 0.000 0.230 269 D C 0.765 177.347 176.300 0.470 0.000 1.276 269 D CA -0.008 54.309 54.000 0.529 0.000 0.910 269 D CB 2.229 43.360 40.800 0.552 0.000 1.590 269 D HN 0.629 nan 8.370 nan 0.000 0.551 270 T N 1.886 116.749 114.554 0.515 0.000 2.649 270 T HA -0.227 4.125 4.350 0.002 0.000 0.268 270 T C 2.013 176.830 174.700 0.195 0.000 1.036 270 T CA 2.357 64.709 62.100 0.419 0.000 1.157 270 T CB -0.630 68.433 68.868 0.326 0.000 0.861 270 T HN 0.782 nan 8.240 nan 0.000 0.445 271 C N 0.358 119.733 119.300 0.125 0.000 2.409 271 C HA -0.057 4.404 4.460 0.002 0.000 0.284 271 C C 2.196 176.948 174.990 -0.396 0.000 1.354 271 C CA -0.181 58.688 59.018 -0.249 0.000 1.787 271 C CB -2.111 25.376 27.740 -0.422 0.000 1.900 271 C HN 0.496 nan 8.230 nan 0.000 0.520 272 Y N 1.881 122.278 120.300 0.162 0.000 2.571 272 Y HA 0.026 4.577 4.550 0.002 0.000 0.294 272 Y C 2.814 178.663 175.900 -0.085 0.000 1.141 272 Y CA 1.259 59.453 58.100 0.156 0.000 1.308 272 Y CB -0.677 37.923 38.460 0.235 0.000 1.002 272 Y HN 0.338 nan 8.280 nan 0.000 0.551 273 S N -0.415 115.297 115.700 0.021 0.000 2.442 273 S HA -0.162 4.309 4.470 0.002 0.000 0.236 273 S C 1.656 176.065 174.600 -0.318 0.000 1.007 273 S CA 1.165 59.285 58.200 -0.134 0.000 0.965 273 S CB -0.367 62.858 63.200 0.042 0.000 0.773 273 S HN 0.547 nan 8.310 nan 0.000 0.504 274 F N 0.046 119.717 119.950 -0.465 0.000 2.315 274 F HA 0.206 4.734 4.527 0.002 0.000 0.284 274 F C 1.558 177.009 175.800 -0.580 0.000 1.049 274 F CA 0.024 57.669 58.000 -0.592 0.000 1.323 274 F CB -0.663 37.918 39.000 -0.698 0.000 1.113 274 F HN 0.154 nan 8.300 nan 0.000 0.544 275 W N 0.579 121.521 121.300 -0.597 0.000 2.301 275 W HA -0.242 4.419 4.660 0.002 0.000 0.325 275 W C 2.347 178.664 176.519 -0.338 0.000 1.250 275 W CA 1.740 58.728 57.345 -0.594 0.000 1.261 275 W CB -1.038 28.305 29.460 -0.196 0.000 1.157 275 W HN -0.157 nan 8.180 nan 0.000 0.473 276 V N 0.381 120.313 119.914 0.030 0.000 2.346 276 V HA -0.108 4.013 4.120 0.002 0.000 0.244 276 V C 2.410 178.347 176.094 -0.261 0.000 1.037 276 V CA 1.945 64.225 62.300 -0.033 0.000 1.029 276 V CB -1.667 30.151 31.823 -0.009 0.000 0.663 276 V HN 0.386 nan 8.190 nan 0.000 0.454 277 G N 0.173 108.632 108.800 -0.568 0.000 2.476 277 G HA2 -0.285 3.676 3.960 0.002 0.000 0.218 277 G HA3 -0.285 3.676 3.960 0.002 0.000 0.218 277 G C 1.766 176.276 174.900 -0.649 0.000 1.164 277 G CA 1.287 45.993 45.100 -0.657 0.000 0.768 277 G HN 0.611 nan 8.290 nan 0.000 0.560 278 A N 0.000 122.390 122.820 -0.717 0.000 1.933 278 A HA -0.004 4.317 4.320 0.002 0.000 0.218 278 A C 2.535 180.011 177.584 -0.182 0.000 1.175 278 A CA 2.461 54.155 52.037 -0.571 0.000 0.628 278 A CB -0.835 17.531 19.000 -1.057 0.000 0.814 278 A HN 0.329 nan 8.150 nan 0.000 0.444 279 T N 0.464 114.986 114.554 -0.053 0.000 2.737 279 T HA -0.065 4.286 4.350 0.002 0.000 0.265 279 T C 1.808 176.533 174.700 0.041 0.000 1.038 279 T CA 1.390 63.525 62.100 0.058 0.000 1.144 279 T CB -0.380 68.566 68.868 0.130 0.000 0.866 279 T HN 0.370 nan 8.240 nan 0.000 0.434 280 L N 0.673 121.924 121.223 0.046 0.000 2.079 280 L HA -0.134 4.208 4.340 0.002 0.000 0.210 280 L C 2.633 179.585 176.870 0.136 0.000 1.081 280 L CA 1.237 56.164 54.840 0.145 0.000 0.752 280 L CB -0.425 41.809 42.059 0.290 0.000 0.896 280 L HN 0.189 nan 8.230 nan 0.000 0.433 281 K N 0.840 121.253 120.400 0.021 0.000 2.057 281 K HA -0.145 4.176 4.320 0.002 0.000 0.207 281 K C 1.956 178.570 176.600 0.024 0.000 1.049 281 K CA 1.482 57.778 56.287 0.015 0.000 0.931 281 K CB -0.327 32.080 32.500 -0.155 0.000 0.714 281 K HN 0.167 nan 8.250 nan 0.000 0.440 282 L N 0.361 121.589 121.223 0.008 0.000 2.191 282 L HA -0.094 4.247 4.340 0.002 0.000 0.212 282 L C 1.797 178.694 176.870 0.044 0.000 1.103 282 L CA 0.827 55.680 54.840 0.021 0.000 0.769 282 L CB -0.247 41.822 42.059 0.017 0.000 0.908 282 L HN 0.186 nan 8.230 nan 0.000 0.438 283 L N -0.720 120.540 121.223 0.062 0.000 2.591 283 L HA 0.021 4.362 4.340 0.002 0.000 0.228 283 L C 0.514 177.440 176.870 0.093 0.000 1.133 283 L CA -0.069 54.817 54.840 0.077 0.000 0.880 283 L CB -0.091 42.018 42.059 0.084 0.000 1.033 283 L HN 0.130 nan 8.230 nan 0.000 0.450 284 K N 0.206 120.658 120.400 0.087 0.000 3.129 284 K HA -0.194 4.127 4.320 0.002 0.000 0.273 284 K C 0.487 177.145 176.600 0.097 0.000 1.123 284 K CA 1.137 57.473 56.287 0.082 0.000 0.800 284 K CB -1.689 30.854 32.500 0.072 0.000 1.238 284 K HN 0.650 nan 8.250 nan 0.000 0.492 285 I N -4.917 115.739 120.570 0.144 0.000 4.160 285 I HA 0.256 4.427 4.170 0.002 0.000 0.325 285 I C 1.273 177.491 176.117 0.168 0.000 1.455 285 I CA -0.694 60.720 61.300 0.191 0.000 1.142 285 I CB 0.158 38.358 38.000 0.333 0.000 1.262 285 I HN -0.015 nan 8.210 nan 0.000 0.483 286 F N 3.493 123.465 119.950 0.037 0.000 2.216 286 F HA -0.194 4.335 4.527 0.002 0.000 0.300 286 F C 2.560 178.446 175.800 0.143 0.000 1.085 286 F CA 2.404 60.461 58.000 0.096 0.000 1.326 286 F CB -0.120 38.913 39.000 0.054 0.000 1.027 286 F HN 0.381 nan 8.300 nan 0.000 0.497 287 Q N -1.345 118.387 119.800 -0.115 0.000 2.368 287 Q HA -0.252 4.090 4.340 0.002 0.000 0.210 287 Q C 1.107 176.816 176.000 -0.484 0.000 0.982 287 Q CA 1.946 57.538 55.803 -0.353 0.000 0.884 287 Q CB -1.061 27.373 28.738 -0.506 0.000 0.933 287 Q HN 0.621 nan 8.270 nan 0.000 0.460 288 Y N 1.986 122.230 120.300 -0.095 0.000 2.457 288 Y HA 0.136 4.687 4.550 0.002 0.000 0.263 288 Y C 1.112 176.947 175.900 -0.107 0.000 1.164 288 Y CA -0.142 57.896 58.100 -0.104 0.000 1.274 288 Y CB 0.540 38.973 38.460 -0.045 0.000 1.097 288 Y HN 0.164 nan 8.280 nan 0.000 0.523 289 T N -1.829 112.708 114.554 -0.029 0.000 2.824 289 T HA 0.070 4.421 4.350 0.002 0.000 0.277 289 T C 0.075 174.775 174.700 0.000 0.000 0.975 289 T CA -0.959 61.138 62.100 -0.006 0.000 0.966 289 T CB 1.180 70.030 68.868 -0.030 0.000 1.054 289 T HN 0.100 nan 8.240 nan 0.000 0.533 290 N N 0.662 119.382 118.700 0.033 0.000 2.437 290 N HA 0.143 4.884 4.740 0.002 0.000 0.243 290 N C 0.388 176.025 175.510 0.210 0.000 1.041 290 N CA -0.445 52.637 53.050 0.053 0.000 0.940 290 N CB -0.101 38.383 38.487 -0.005 0.000 1.133 290 N HN 0.711 nan 8.380 nan 0.000 0.506 291 F N 1.574 121.467 119.950 -0.095 0.000 2.113 291 F HA -0.148 4.381 4.527 0.002 0.000 0.297 291 F C 2.340 178.146 175.800 0.010 0.000 1.103 291 F CA 0.614 58.586 58.000 -0.047 0.000 1.248 291 F CB 0.214 39.182 39.000 -0.054 0.000 0.999 291 F HN 0.564 nan 8.300 nan 0.000 0.475 292 E N 1.175 121.502 120.200 0.211 0.000 2.058 292 E HA -0.258 4.093 4.350 0.002 0.000 0.194 292 E C 1.989 178.651 176.600 0.103 0.000 0.997 292 E CA 1.508 57.985 56.400 0.127 0.000 0.801 292 E CB -0.053 29.697 29.700 0.083 0.000 0.746 292 E HN 0.358 nan 8.360 nan 0.000 0.450 293 K N 0.167 120.617 120.400 0.083 0.000 2.148 293 K HA -0.144 4.177 4.320 0.002 0.000 0.204 293 K C 2.075 178.741 176.600 0.111 0.000 1.050 293 K CA 1.197 57.526 56.287 0.071 0.000 0.942 293 K CB -0.167 32.342 32.500 0.016 0.000 0.724 293 K HN 0.080 nan 8.250 nan 0.000 0.446 294 N N 1.631 120.402 118.700 0.120 0.000 2.135 294 N HA -0.166 4.575 4.740 0.002 0.000 0.186 294 N C 1.729 177.353 175.510 0.190 0.000 1.027 294 N CA 1.304 54.465 53.050 0.186 0.000 0.849 294 N CB -0.011 38.627 38.487 0.252 0.000 1.002 294 N HN 0.056 nan 8.380 nan 0.000 0.425 295 R N 0.096 120.670 120.500 0.124 0.000 2.083 295 R HA -0.060 4.281 4.340 0.002 0.000 0.237 295 R C 1.485 177.851 176.300 0.110 0.000 1.137 295 R CA 1.691 57.844 56.100 0.088 0.000 0.951 295 R CB -0.266 30.073 30.300 0.065 0.000 0.851 295 R HN 0.239 nan 8.270 nan 0.000 0.434 296 N N -0.196 118.574 118.700 0.116 0.000 2.104 296 N HA -0.217 4.525 4.740 0.002 0.000 0.190 296 N C 1.403 176.974 175.510 0.100 0.000 1.024 296 N CA 1.416 54.527 53.050 0.102 0.000 0.853 296 N CB -0.578 37.965 38.487 0.094 0.000 1.008 296 N HN 0.326 nan 8.380 nan 0.000 0.424 297 Y N 1.404 121.752 120.300 0.081 0.000 2.114 297 Y HA -0.063 4.488 4.550 0.002 0.000 0.284 297 Y C 2.129 178.109 175.900 0.134 0.000 1.143 297 Y CA 1.322 59.481 58.100 0.098 0.000 1.135 297 Y CB -0.438 38.077 38.460 0.092 0.000 0.980 297 Y HN -0.019 nan 8.280 nan 0.000 0.499 298 I N -0.055 120.567 120.570 0.087 0.000 2.118 298 I HA -0.382 3.790 4.170 0.002 0.000 0.241 298 I C 2.323 178.513 176.117 0.120 0.000 1.070 298 I CA 1.718 63.050 61.300 0.053 0.000 1.327 298 I CB -0.582 37.435 38.000 0.028 0.000 1.034 298 I HN 0.265 nan 8.210 nan 0.000 0.405 299 L N 0.468 121.782 121.223 0.151 0.000 2.191 299 L HA -0.164 4.177 4.340 0.002 0.000 0.212 299 L C 2.658 179.566 176.870 0.064 0.000 1.103 299 L CA 1.410 56.378 54.840 0.213 0.000 0.769 299 L CB -0.669 41.494 42.059 0.173 0.000 0.908 299 L HN 0.393 nan 8.230 nan 0.000 0.438 300 S N -1.490 114.176 115.700 -0.057 0.000 2.507 300 S HA -0.116 4.356 4.470 0.002 0.000 0.235 300 S C 1.706 176.234 174.600 -0.120 0.000 0.988 300 S CA 1.067 59.204 58.200 -0.106 0.000 0.944 300 S CB -0.590 62.515 63.200 -0.158 0.000 0.762 300 S HN 0.561 nan 8.310 nan 0.000 0.526 301 T N -1.902 112.592 114.554 -0.101 0.000 3.105 301 T HA 0.252 4.604 4.350 0.002 0.000 0.253 301 T C 0.347 175.041 174.700 -0.010 0.000 1.047 301 T CA -0.504 61.580 62.100 -0.027 0.000 0.944 301 T CB -0.248 68.626 68.868 0.011 0.000 1.016 301 T HN 0.466 nan 8.240 nan 0.000 0.544 302 Q N 1.742 121.484 119.800 -0.097 0.000 2.313 302 Q HA 0.096 4.438 4.340 0.002 0.000 0.266 302 Q C -0.807 175.013 176.000 -0.301 0.000 0.989 302 Q CA -0.277 55.251 55.803 -0.458 0.000 0.890 302 Q CB 0.524 29.027 28.738 -0.392 0.000 1.200 302 Q HN 0.263 nan 8.270 nan 0.000 0.396 303 D N 3.831 124.022 120.400 -0.349 0.000 2.411 303 D HA 0.083 4.725 4.640 0.002 0.000 0.225 303 D C 0.336 176.496 176.300 -0.234 0.000 1.156 303 D CA -0.029 53.842 54.000 -0.216 0.000 0.874 303 D CB 0.599 41.291 40.800 -0.179 0.000 1.034 303 D HN 0.601 nan 8.370 nan 0.000 0.502 304 R N 2.566 122.956 120.500 -0.183 0.000 2.285 304 R HA -0.053 4.288 4.340 0.002 0.000 0.213 304 R C 1.546 177.750 176.300 -0.161 0.000 1.068 304 R CA 0.239 56.228 56.100 -0.185 0.000 1.004 304 R CB 0.419 30.641 30.300 -0.131 0.000 0.873 304 R HN 0.438 nan 8.270 nan 0.000 0.467 305 L N 0.240 121.388 121.223 -0.124 0.000 2.185 305 L HA 0.017 4.359 4.340 0.002 0.000 0.198 305 L C 2.003 178.818 176.870 -0.092 0.000 1.079 305 L CA 1.376 56.159 54.840 -0.094 0.000 0.780 305 L CB -0.364 41.658 42.059 -0.061 0.000 0.955 305 L HN 0.085 nan 8.230 nan 0.000 0.462 306 V N -1.096 118.774 119.914 -0.073 0.000 3.650 306 V HA 0.450 4.572 4.120 0.002 0.000 0.271 306 V C 0.862 176.966 176.094 0.017 0.000 1.281 306 V CA 0.603 62.896 62.300 -0.012 0.000 1.120 306 V CB -0.365 31.483 31.823 0.042 0.000 0.856 306 V HN 0.622 nan 8.190 nan 0.000 0.443 307 G N -0.597 108.107 108.800 -0.159 0.000 2.757 307 G HA2 0.386 4.347 3.960 0.002 0.000 0.638 307 G HA3 0.386 4.347 3.960 0.002 0.000 0.638 307 G C 0.600 175.149 174.900 -0.585 0.000 1.344 307 G CA -0.288 44.633 45.100 -0.298 0.000 0.855 307 G HN 2.457 nan 8.290 nan 0.000 0.537 308 G N -2.036 106.356 108.800 -0.680 0.000 2.828 308 G HA2 0.363 4.325 3.960 0.002 0.000 0.463 308 G HA3 0.363 4.325 3.960 0.002 0.000 0.463 308 G C -0.397 173.985 174.900 -0.863 0.000 1.394 308 G CA 0.331 44.640 45.100 -1.319 0.000 0.862 308 G HN 1.834 nan 8.290 nan 0.000 0.540 309 F N -0.064 119.585 119.950 -0.502 0.000 2.593 309 F HA 0.839 5.367 4.527 0.002 0.000 0.320 309 F C 0.822 176.542 175.800 -0.134 0.000 1.060 309 F CA 0.035 57.894 58.000 -0.236 0.000 0.940 309 F CB 2.084 40.980 39.000 -0.173 0.000 1.268 309 F HN 1.017 nan 8.300 nan 0.000 0.475 310 A N 1.012 123.884 122.820 0.086 0.000 2.344 310 A HA 0.546 4.867 4.320 0.002 0.000 0.307 310 A C 0.759 178.230 177.584 -0.188 0.000 1.151 310 A CA -0.617 51.384 52.037 -0.060 0.000 0.842 310 A CB 1.333 20.314 19.000 -0.031 0.000 1.350 310 A HN 0.881 nan 8.150 nan 0.000 0.459 311 K N -0.946 119.084 120.400 -0.616 0.000 2.155 311 K HA -0.010 4.311 4.320 0.002 0.000 0.203 311 K C -0.460 176.076 176.600 -0.106 0.000 1.052 311 K CA 0.675 56.583 56.287 -0.631 0.000 0.948 311 K CB 0.024 31.859 32.500 -1.110 0.000 0.728 311 K HN 0.573 nan 8.250 nan 0.000 0.448 312 W N 1.633 122.958 121.300 0.041 0.000 2.882 312 W HA 0.405 5.066 4.660 0.002 0.000 0.345 312 W C -2.642 173.887 176.519 0.017 0.000 1.125 312 W CA -3.183 54.228 57.345 0.111 0.000 1.167 312 W CB 0.253 29.775 29.460 0.104 0.000 1.431 312 W HN -0.204 nan 8.180 nan 0.000 0.543 313 P HA -0.016 nan 4.420 nan 0.000 0.269 313 P C -0.172 177.191 177.300 0.105 0.000 1.209 313 P CA 0.508 63.658 63.100 0.083 0.000 0.776 313 P CB 0.729 32.444 31.700 0.025 0.000 0.876 314 D N -1.913 118.524 120.400 0.060 0.000 2.723 314 D HA -0.143 4.498 4.640 0.002 0.000 0.236 314 D C -0.096 176.248 176.300 0.072 0.000 1.138 314 D CA 1.241 55.275 54.000 0.057 0.000 0.676 314 D CB -1.748 39.079 40.800 0.044 0.000 1.069 314 D HN 0.375 nan 8.370 nan 0.000 0.430 315 S N -1.509 114.243 115.700 0.087 0.000 2.599 315 S HA 0.430 4.901 4.470 0.002 0.000 0.287 315 S C -0.575 174.089 174.600 0.108 0.000 1.105 315 S CA -0.673 57.565 58.200 0.064 0.000 0.899 315 S CB 1.252 64.528 63.200 0.127 0.000 1.100 315 S HN 0.228 nan 8.310 nan 0.000 0.482 316 H N 2.796 121.888 119.070 0.037 0.000 2.803 316 H HA 0.270 4.827 4.556 0.002 0.000 0.330 316 H C -1.882 173.466 175.328 0.032 0.000 1.057 316 H CA -1.428 54.647 56.048 0.044 0.000 1.458 316 H CB 0.634 30.441 29.762 0.075 0.000 1.470 316 H HN 0.449 nan 8.280 nan 0.000 0.560 317 P HA 0.060 nan 4.420 nan 0.000 0.276 317 P C -1.038 176.399 177.300 0.228 0.000 1.244 317 P CA -0.377 62.769 63.100 0.075 0.000 0.801 317 P CB 1.491 33.120 31.700 -0.117 0.000 1.006 318 D N -1.159 119.396 120.400 0.258 0.000 2.596 318 D HA 0.450 5.091 4.640 0.002 0.000 0.262 318 D C 0.839 177.391 176.300 0.420 0.000 1.210 318 D CA -0.971 53.266 54.000 0.396 0.000 0.873 318 D CB 0.361 41.368 40.800 0.345 0.000 1.408 318 D HN 0.176 nan 8.370 nan 0.000 0.441 319 A N 0.239 123.319 122.820 0.433 0.000 1.908 319 A HA -0.123 4.199 4.320 0.002 0.000 0.218 319 A C 2.002 179.615 177.584 0.048 0.000 1.181 319 A CA 1.594 53.893 52.037 0.437 0.000 0.627 319 A CB -1.003 18.244 19.000 0.412 0.000 0.818 319 A HN 0.637 nan 8.150 nan 0.000 0.445 320 L N -1.416 119.687 121.223 -0.201 0.000 1.994 320 L HA -0.214 4.128 4.340 0.002 0.000 0.208 320 L C 2.465 179.053 176.870 -0.470 0.000 1.071 320 L CA 2.248 56.607 54.840 -0.801 0.000 0.745 320 L CB -0.381 41.444 42.059 -0.391 0.000 0.892 320 L HN 0.551 nan 8.230 nan 0.000 0.431 321 H N -0.707 118.324 119.070 -0.065 0.000 2.462 321 H HA 0.039 4.596 4.556 0.002 0.000 0.292 321 H C 2.144 177.438 175.328 -0.057 0.000 1.049 321 H CA 0.994 57.028 56.048 -0.023 0.000 1.334 321 H CB -0.098 29.674 29.762 0.018 0.000 1.404 321 H HN 0.516 nan 8.280 nan 0.000 0.544 322 A N 0.318 123.179 122.820 0.069 0.000 1.873 322 A HA -0.218 4.103 4.320 0.002 0.000 0.215 322 A C 2.067 179.702 177.584 0.086 0.000 1.186 322 A CA 1.506 53.582 52.037 0.065 0.000 0.616 322 A CB -0.894 18.007 19.000 -0.164 0.000 0.823 322 A HN 0.522 nan 8.150 nan 0.000 0.442 323 Y N -0.562 119.693 120.300 -0.076 0.000 2.163 323 Y HA -0.156 4.395 4.550 0.002 0.000 0.288 323 Y C 1.924 177.471 175.900 -0.588 0.000 1.136 323 Y CA 1.692 59.596 58.100 -0.326 0.000 1.147 323 Y CB -0.547 37.510 38.460 -0.672 0.000 0.987 323 Y HN 0.281 nan 8.280 nan 0.000 0.509 324 F N -0.334 119.247 119.950 -0.614 0.000 2.325 324 F HA -0.014 4.514 4.527 0.002 0.000 0.299 324 F C 2.548 177.971 175.800 -0.628 0.000 1.090 324 F CA 0.778 58.304 58.000 -0.790 0.000 1.392 324 F CB -0.663 37.898 39.000 -0.732 0.000 1.053 324 F HN 0.147 nan 8.300 nan 0.000 0.521 325 G N 0.464 108.999 108.800 -0.441 0.000 2.402 325 G HA2 -0.200 3.761 3.960 0.002 0.000 0.216 325 G HA3 -0.200 3.761 3.960 0.002 0.000 0.216 325 G C 1.689 176.117 174.900 -0.787 0.000 1.162 325 G CA 0.714 45.397 45.100 -0.694 0.000 0.777 325 G HN 0.321 nan 8.290 nan 0.000 0.539 326 I N 0.274 120.417 120.570 -0.711 0.000 2.226 326 I HA -0.184 3.987 4.170 0.002 0.000 0.245 326 I C 2.703 178.536 176.117 -0.474 0.000 1.100 326 I CA 0.579 61.583 61.300 -0.493 0.000 1.374 326 I CB -0.175 37.707 38.000 -0.195 0.000 1.057 326 I HN 0.191 nan 8.210 nan 0.000 0.413 327 C N 0.709 119.648 119.300 -0.601 0.000 2.435 327 C HA -0.060 4.401 4.460 0.002 0.000 0.279 327 C C 2.928 177.752 174.990 -0.277 0.000 1.321 327 C CA 0.935 59.647 59.018 -0.511 0.000 1.752 327 C CB -1.638 25.582 27.740 -0.867 0.000 1.959 327 C HN 0.664 nan 8.230 nan 0.000 0.500 328 G N 0.327 108.960 108.800 -0.279 0.000 2.418 328 G HA2 -0.154 3.807 3.960 0.002 0.000 0.217 328 G HA3 -0.154 3.807 3.960 0.002 0.000 0.217 328 G C 1.408 176.162 174.900 -0.243 0.000 1.158 328 G CA 0.619 45.585 45.100 -0.222 0.000 0.771 328 G HN 0.344 nan 8.290 nan 0.000 0.545 329 L N 1.213 122.258 121.223 -0.297 0.000 2.083 329 L HA 0.001 4.342 4.340 0.002 0.000 0.209 329 L C 3.077 179.791 176.870 -0.259 0.000 1.083 329 L CA 1.871 56.537 54.840 -0.290 0.000 0.752 329 L CB -1.029 40.783 42.059 -0.412 0.000 0.899 329 L HN 0.340 nan 8.230 nan 0.000 0.433 330 S N -0.827 114.717 115.700 -0.261 0.000 2.383 330 S HA -0.177 4.294 4.470 0.002 0.000 0.229 330 S C 2.032 176.539 174.600 -0.154 0.000 1.030 330 S CA 0.896 58.980 58.200 -0.192 0.000 1.002 330 S CB -0.190 62.902 63.200 -0.180 0.000 0.829 330 S HN 0.249 nan 8.310 nan 0.000 0.467 331 L N 1.209 122.308 121.223 -0.207 0.000 2.187 331 L HA 0.117 4.459 4.340 0.002 0.000 0.213 331 L C 2.106 178.925 176.870 -0.086 0.000 1.100 331 L CA 1.706 56.390 54.840 -0.260 0.000 0.765 331 L CB -0.829 40.842 42.059 -0.647 0.000 0.904 331 L HN 0.488 nan 8.230 nan 0.000 0.437 332 M N -1.399 118.114 119.600 -0.145 0.000 2.453 332 M HA 0.085 4.566 4.480 0.002 0.000 0.239 332 M C -0.210 176.077 176.300 -0.022 0.000 1.151 332 M CA 0.050 55.199 55.300 -0.252 0.000 0.989 332 M CB 0.098 32.330 32.600 -0.614 0.000 1.548 332 M HN 0.084 nan 8.290 nan 0.000 0.479 333 E N 1.563 121.747 120.200 -0.027 0.000 2.260 333 E HA -0.182 4.170 4.350 0.002 0.000 0.204 333 E C -0.141 176.443 176.600 -0.028 0.000 1.319 333 E CA 0.180 56.577 56.400 -0.006 0.000 0.679 333 E CB -1.004 28.730 29.700 0.057 0.000 1.158 333 E HN 0.409 nan 8.360 nan 0.000 0.376 334 E N 0.869 121.010 120.200 -0.099 0.000 2.392 334 E HA 0.147 4.498 4.350 0.002 0.000 0.264 334 E C -0.353 176.194 176.600 -0.088 0.000 1.024 334 E CA -0.030 56.291 56.400 -0.131 0.000 0.903 334 E CB 1.026 30.547 29.700 -0.298 0.000 0.963 334 E HN 0.162 nan 8.360 nan 0.000 0.432 335 S N 3.159 118.838 115.700 -0.035 0.000 2.516 335 S HA 0.416 4.888 4.470 0.002 0.000 0.282 335 S C 0.924 175.548 174.600 0.040 0.000 1.286 335 S CA 0.738 58.947 58.200 0.013 0.000 1.066 335 S CB -0.281 62.945 63.200 0.043 0.000 0.884 335 S HN 0.982 nan 8.310 nan 0.000 0.491 336 G N 3.977 112.808 108.800 0.052 0.000 2.176 336 G HA2 -0.183 3.778 3.960 0.002 0.000 0.232 336 G HA3 -0.183 3.778 3.960 0.002 0.000 0.232 336 G C -0.020 174.938 174.900 0.098 0.000 0.986 336 G CA 0.099 45.262 45.100 0.105 0.000 0.643 336 G HN 0.729 nan 8.290 nan 0.000 0.522 337 I N 1.263 121.838 120.570 0.007 0.000 2.436 337 I HA 0.350 4.522 4.170 0.002 0.000 0.289 337 I C 1.045 177.146 176.117 -0.026 0.000 1.010 337 I CA -1.189 60.096 61.300 -0.024 0.000 1.098 337 I CB 1.609 39.511 38.000 -0.163 0.000 1.266 337 I HN 0.110 nan 8.210 nan 0.000 0.434 338 C N 4.320 123.617 119.300 -0.006 0.000 2.727 338 C HA 0.061 4.522 4.460 0.002 0.000 0.401 338 C C 0.975 175.953 174.990 -0.020 0.000 1.294 338 C CA -0.396 58.620 59.018 -0.003 0.000 2.134 338 C CB -0.171 27.574 27.740 0.008 0.000 2.724 338 C HN 0.702 nan 8.230 nan 0.000 0.677 339 K N 0.708 121.107 120.400 -0.003 0.000 2.326 339 K HA 0.429 4.751 4.320 0.002 0.000 0.275 339 K C -0.545 176.063 176.600 0.014 0.000 1.018 339 K CA -0.205 56.081 56.287 -0.002 0.000 0.962 339 K CB 0.607 33.114 32.500 0.011 0.000 0.953 339 K HN 0.538 nan 8.250 nan 0.000 0.475 340 V N 4.194 124.116 119.914 0.013 0.000 2.630 340 V HA 0.162 4.284 4.120 0.002 0.000 0.305 340 V C -0.746 175.426 176.094 0.130 0.000 1.046 340 V CA -0.699 61.641 62.300 0.067 0.000 0.934 340 V CB 1.495 33.340 31.823 0.037 0.000 1.003 340 V HN 0.849 nan 8.190 nan 0.000 0.451 341 H N 8.428 127.562 119.070 0.107 0.000 2.911 341 H HA 0.363 4.920 4.556 0.002 0.000 0.273 341 H C -1.823 173.627 175.328 0.204 0.000 1.157 341 H CA -1.930 54.194 56.048 0.126 0.000 1.402 341 H CB 1.719 31.555 29.762 0.123 0.000 1.463 341 H HN 0.516 nan 8.280 nan 0.000 0.475 342 P HA -0.162 nan 4.420 nan 0.000 0.216 342 P C 1.048 178.649 177.300 0.502 0.000 1.150 342 P CA 1.586 64.872 63.100 0.309 0.000 0.843 342 P CB 0.309 32.046 31.700 0.061 0.000 0.787 343 A N -0.720 122.395 122.820 0.492 0.000 1.935 343 A HA -0.012 4.310 4.320 0.002 0.000 0.214 343 A C 2.116 179.985 177.584 0.474 0.000 1.178 343 A CA 0.831 53.117 52.037 0.415 0.000 0.640 343 A CB -1.281 17.874 19.000 0.259 0.000 0.825 343 A HN 0.169 nan 8.150 nan 0.000 0.447 344 L N -0.678 120.755 121.223 0.350 0.000 2.509 344 L HA 0.178 4.519 4.340 0.002 0.000 0.222 344 L C 0.622 177.718 176.870 0.377 0.000 1.123 344 L CA 1.063 55.953 54.840 0.083 0.000 0.856 344 L CB -0.738 41.021 42.059 -0.501 0.000 0.985 344 L HN 0.571 nan 8.230 nan 0.000 0.456 345 N N -0.389 118.642 118.700 0.550 0.000 2.758 345 N HA -0.175 4.567 4.740 0.002 0.000 0.248 345 N C -0.808 174.973 175.510 0.452 0.000 1.076 345 N CA 0.972 54.362 53.050 0.567 0.000 0.696 345 N CB -1.238 37.702 38.487 0.754 0.000 0.979 345 N HN 0.272 nan 8.380 nan 0.000 0.550 346 V N -3.343 116.758 119.914 0.313 0.000 3.159 346 V HA 0.829 4.950 4.120 0.002 0.000 0.308 346 V C 0.581 176.773 176.094 0.163 0.000 1.190 346 V CA -0.499 61.931 62.300 0.216 0.000 1.037 346 V CB 1.473 33.389 31.823 0.154 0.000 1.060 346 V HN 0.469 nan 8.190 nan 0.000 0.437 347 S N 0.218 115.975 115.700 0.095 0.000 2.572 347 S HA 0.147 4.619 4.470 0.002 0.000 0.279 347 S C 1.361 176.022 174.600 0.102 0.000 1.341 347 S CA 0.404 58.648 58.200 0.073 0.000 1.043 347 S CB 0.846 64.064 63.200 0.030 0.000 0.887 347 S HN 1.740 nan 8.310 nan 0.000 0.516 348 T N -0.081 114.535 114.554 0.104 0.000 2.833 348 T HA -0.197 4.154 4.350 0.002 0.000 0.269 348 T C 1.763 176.510 174.700 0.080 0.000 1.054 348 T CA 1.112 63.284 62.100 0.120 0.000 1.135 348 T CB -0.482 68.438 68.868 0.087 0.000 0.869 348 T HN 0.741 nan 8.240 nan 0.000 0.466 349 R N 1.185 121.715 120.500 0.051 0.000 2.096 349 R HA -0.145 4.196 4.340 0.002 0.000 0.240 349 R C 2.262 178.575 176.300 0.023 0.000 1.139 349 R CA 2.086 58.205 56.100 0.030 0.000 0.952 349 R CB -0.984 29.328 30.300 0.020 0.000 0.854 349 R HN 0.410 nan 8.270 nan 0.000 0.436 350 T N 0.348 114.918 114.554 0.026 0.000 2.821 350 T HA -0.108 4.243 4.350 0.002 0.000 0.267 350 T C 1.848 176.551 174.700 0.005 0.000 1.046 350 T CA 1.536 63.642 62.100 0.010 0.000 1.139 350 T CB -0.163 68.714 68.868 0.015 0.000 0.871 350 T HN 0.556 nan 8.240 nan 0.000 0.454 351 S N 1.548 117.275 115.700 0.045 0.000 2.402 351 S HA -0.051 4.420 4.470 0.002 0.000 0.229 351 S C 1.834 176.451 174.600 0.029 0.000 1.021 351 S CA 0.843 59.073 58.200 0.050 0.000 0.974 351 S CB -0.319 62.989 63.200 0.181 0.000 0.800 351 S HN 0.546 nan 8.310 nan 0.000 0.484 352 E N 0.872 121.092 120.200 0.033 0.000 2.107 352 E HA -0.009 4.342 4.350 0.002 0.000 0.191 352 E C 2.381 178.953 176.600 -0.047 0.000 0.982 352 E CA 0.408 56.812 56.400 0.007 0.000 0.809 352 E CB -0.114 29.599 29.700 0.021 0.000 0.756 352 E HN 0.296 nan 8.360 nan 0.000 0.459 353 R N 1.152 121.622 120.500 -0.050 0.000 2.081 353 R HA -0.154 4.188 4.340 0.002 0.000 0.235 353 R C 2.293 178.499 176.300 -0.156 0.000 1.131 353 R CA 0.976 57.030 56.100 -0.077 0.000 0.960 353 R CB -0.536 29.733 30.300 -0.052 0.000 0.856 353 R HN 0.219 nan 8.270 nan 0.000 0.436 354 L N 1.071 122.181 121.223 -0.190 0.000 2.083 354 L HA -0.130 4.211 4.340 0.002 0.000 0.209 354 L C 2.723 179.249 176.870 -0.573 0.000 1.083 354 L CA 1.866 56.479 54.840 -0.379 0.000 0.752 354 L CB -0.684 41.186 42.059 -0.315 0.000 0.899 354 L HN -0.052 nan 8.230 nan 0.000 0.433 355 R N -0.404 119.904 120.500 -0.320 0.000 2.081 355 R HA -0.137 4.204 4.340 0.002 0.000 0.235 355 R C 1.990 178.166 176.300 -0.207 0.000 1.131 355 R CA 1.756 57.718 56.100 -0.230 0.000 0.960 355 R CB -1.169 29.092 30.300 -0.066 0.000 0.856 355 R HN 0.656 nan 8.270 nan 0.000 0.436 356 D N 0.413 120.705 120.400 -0.180 0.000 2.084 356 D HA -0.085 4.557 4.640 0.002 0.000 0.194 356 D C 2.115 178.277 176.300 -0.229 0.000 0.990 356 D CA 1.585 55.498 54.000 -0.145 0.000 0.826 356 D CB -0.479 40.261 40.800 -0.099 0.000 0.971 356 D HN 0.292 nan 8.370 nan 0.000 0.453 357 L N 0.326 121.345 121.223 -0.340 0.000 2.043 357 L HA -0.252 4.089 4.340 0.002 0.000 0.212 357 L C 2.446 178.767 176.870 -0.915 0.000 1.075 357 L CA 1.495 56.011 54.840 -0.540 0.000 0.752 357 L CB -0.380 41.343 42.059 -0.560 0.000 0.891 357 L HN 0.256 nan 8.230 nan 0.000 0.432 358 H N -2.298 116.259 119.070 -0.855 0.000 2.353 358 H HA -0.223 4.335 4.556 0.002 0.000 0.300 358 H C 2.382 177.511 175.328 -0.332 0.000 1.090 358 H CA 1.200 56.813 56.048 -0.724 0.000 1.327 358 H CB 0.114 29.628 29.762 -0.414 0.000 1.383 358 H HN 0.230 nan 8.280 nan 0.000 0.508 359 Q N 0.867 120.609 119.800 -0.096 0.000 2.170 359 Q HA -0.159 4.182 4.340 0.002 0.000 0.203 359 Q C 2.615 178.611 176.000 -0.006 0.000 0.976 359 Q CA 1.524 57.310 55.803 -0.029 0.000 0.858 359 Q CB -0.342 28.379 28.738 -0.029 0.000 0.907 359 Q HN 0.704 nan 8.270 nan 0.000 0.433 360 S N -1.308 114.363 115.700 -0.048 0.000 2.406 360 S HA -0.097 4.374 4.470 0.002 0.000 0.228 360 S C 1.643 176.361 174.600 0.197 0.000 1.020 360 S CA 0.947 59.175 58.200 0.048 0.000 0.965 360 S CB -0.597 62.625 63.200 0.038 0.000 0.798 360 S HN 0.760 nan 8.310 nan 0.000 0.488 361 W N 2.534 123.858 121.300 0.040 0.000 2.425 361 W HA 0.266 4.927 4.660 0.001 0.000 0.277 361 W C 1.798 178.322 176.519 0.008 0.000 1.231 361 W CA 0.291 57.649 57.345 0.022 0.000 1.248 361 W CB -1.140 28.331 29.460 0.017 0.000 1.117 361 W HN 0.492 nan 8.180 nan 0.000 0.568 362 K N 1.847 122.377 120.400 0.217 0.000 2.081 362 K HA 0.358 4.679 4.320 0.002 0.000 0.230 362 K C 0.318 176.975 176.600 0.094 0.000 1.199 362 K CA 0.894 57.256 56.287 0.124 0.000 1.130 362 K CB -1.399 31.149 32.500 0.079 0.000 1.386 362 K HN 0.251 nan 8.250 nan 0.000 0.280 363 T N 0.000 114.609 114.554 0.092 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.139 62.100 0.065 0.000 1.349 363 T CB 0.000 68.911 68.868 0.072 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658