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 1n4r_1_D 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 0.000 176.917 176.870 0.078 0.000 1.165 18 L CA 0.000 54.871 54.840 0.051 0.000 0.813 18 L CB 0.000 42.081 42.059 0.037 0.000 0.961 19 D N -0.341 120.104 120.400 0.075 0.000 2.269 19 D HA 0.313 4.952 4.640 -0.001 0.000 0.244 19 D C -0.518 175.884 176.300 0.170 0.000 0.992 19 D CA -0.355 53.712 54.000 0.112 0.000 0.894 19 D CB 1.951 42.791 40.800 0.066 0.000 1.248 19 D HN 0.204 nan 8.370 nan 0.000 0.468 20 F N 1.563 121.550 119.950 0.062 0.000 2.468 20 F HA 0.156 4.683 4.527 -0.001 0.000 0.356 20 F C -0.100 175.731 175.800 0.052 0.000 1.167 20 F CA -1.035 57.031 58.000 0.110 0.000 1.135 20 F CB 0.183 39.264 39.000 0.136 0.000 1.197 20 F HN 0.134 nan 8.300 nan 0.000 0.569 21 L N 7.730 128.699 121.223 -0.423 0.000 2.511 21 L HA 0.107 4.447 4.340 -0.001 0.000 0.239 21 L C 1.977 178.346 176.870 -0.834 0.000 1.400 21 L CA 0.503 55.002 54.840 -0.569 0.000 1.226 21 L CB -1.572 40.142 42.059 -0.574 0.000 1.475 21 L HN 0.674 nan 8.230 nan 0.000 0.428 22 R N 0.330 120.355 120.500 -0.791 0.000 2.133 22 R HA -0.237 4.102 4.340 -0.001 0.000 0.245 22 R C 1.328 177.454 176.300 -0.291 0.000 1.137 22 R CA 2.239 58.012 56.100 -0.545 0.000 0.947 22 R CB 0.156 30.375 30.300 -0.135 0.000 0.865 22 R HN 0.442 nan 8.270 nan 0.000 0.437 23 D N -0.285 119.974 120.400 -0.236 0.000 2.104 23 D HA -0.170 4.470 4.640 -0.001 0.000 0.194 23 D C 2.021 178.197 176.300 -0.207 0.000 0.994 23 D CA 1.214 55.118 54.000 -0.160 0.000 0.830 23 D CB -0.275 40.450 40.800 -0.125 0.000 0.959 23 D HN 0.275 nan 8.370 nan 0.000 0.452 24 R N -0.357 119.938 120.500 -0.342 0.000 2.127 24 R HA -0.136 4.203 4.340 -0.001 0.000 0.238 24 R C 2.126 178.208 176.300 -0.363 0.000 1.134 24 R CA 1.078 56.956 56.100 -0.369 0.000 0.975 24 R CB 0.002 30.008 30.300 -0.490 0.000 0.865 24 R HN 0.348 nan 8.270 nan 0.000 0.447 25 H N -1.094 117.799 119.070 -0.294 0.000 2.470 25 H HA -0.010 4.545 4.556 -0.001 0.000 0.289 25 H C 2.090 177.278 175.328 -0.234 0.000 1.033 25 H CA 1.162 56.994 56.048 -0.359 0.000 1.331 25 H CB -0.018 29.516 29.762 -0.379 0.000 1.414 25 H HN 0.045 nan 8.280 nan 0.000 0.545 26 V N 0.641 120.564 119.914 0.014 0.000 2.358 26 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 26 V C 2.754 178.899 176.094 0.084 0.000 1.047 26 V CA 1.694 64.060 62.300 0.109 0.000 1.035 26 V CB -0.515 31.350 31.823 0.070 0.000 0.658 26 V HN 0.216 nan 8.190 nan 0.000 0.452 27 R N -0.953 119.552 120.500 0.009 0.000 2.073 27 R HA -0.144 4.195 4.340 -0.001 0.000 0.234 27 R C 2.056 178.363 176.300 0.011 0.000 1.134 27 R CA 1.851 57.948 56.100 -0.006 0.000 0.952 27 R CB -1.299 28.974 30.300 -0.046 0.000 0.850 27 R HN 0.732 nan 8.270 nan 0.000 0.433 28 F N 0.303 120.158 119.950 -0.158 0.000 2.091 28 F HA -0.213 4.313 4.527 -0.001 0.000 0.299 28 F C 1.960 177.704 175.800 -0.093 0.000 1.103 28 F CA 1.894 59.784 58.000 -0.183 0.000 1.228 28 F CB -0.398 38.423 39.000 -0.298 0.000 0.984 28 F HN 0.156 nan 8.300 nan 0.000 0.477 29 F N 0.294 120.410 119.950 0.277 0.000 2.171 29 F HA -0.234 4.293 4.527 -0.001 0.000 0.300 29 F C 2.522 178.304 175.800 -0.030 0.000 1.090 29 F CA 1.019 59.099 58.000 0.134 0.000 1.293 29 F CB -0.531 38.547 39.000 0.130 0.000 1.013 29 F HN 0.056 nan 8.300 nan 0.000 0.486 30 Q N 0.193 120.078 119.800 0.140 0.000 2.084 30 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 30 Q C 2.173 178.136 176.000 -0.061 0.000 0.978 30 Q CA 1.377 57.194 55.803 0.023 0.000 0.844 30 Q CB -0.292 28.448 28.738 0.004 0.000 0.898 30 Q HN 0.403 nan 8.270 nan 0.000 0.426 31 R N -0.180 120.249 120.500 -0.118 0.000 2.120 31 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 31 R C 2.408 178.567 176.300 -0.234 0.000 1.123 31 R CA 1.229 57.211 56.100 -0.197 0.000 0.975 31 R CB -0.334 29.802 30.300 -0.273 0.000 0.866 31 R HN 0.276 nan 8.270 nan 0.000 0.446 32 C N 0.174 119.336 119.300 -0.229 0.000 2.429 32 C HA -0.025 4.434 4.460 -0.001 0.000 0.277 32 C C 2.126 177.021 174.990 -0.158 0.000 1.262 32 C CA 0.357 59.255 59.018 -0.199 0.000 1.733 32 C CB -0.626 27.079 27.740 -0.058 0.000 2.010 32 C HN 0.397 nan 8.230 nan 0.000 0.483 33 L N 0.835 121.979 121.223 -0.132 0.000 2.465 33 L HA -0.051 4.288 4.340 -0.001 0.000 0.224 33 L C 2.230 178.979 176.870 -0.202 0.000 1.145 33 L CA 1.512 56.246 54.840 -0.177 0.000 0.834 33 L CB -1.511 40.458 42.059 -0.150 0.000 0.944 33 L HN 0.583 nan 8.230 nan 0.000 0.451 34 Q N -1.190 118.508 119.800 -0.172 0.000 1.962 34 Q HA 0.153 4.492 4.340 -0.001 0.000 0.204 34 Q C -0.113 175.792 176.000 -0.157 0.000 0.979 34 Q CA 0.565 56.273 55.803 -0.159 0.000 0.847 34 Q CB 0.389 29.048 28.738 -0.132 0.000 0.906 34 Q HN 0.150 nan 8.270 nan 0.000 0.458 35 V N 1.131 120.956 119.914 -0.149 0.000 2.888 35 V HA 0.388 4.507 4.120 -0.001 0.000 0.309 35 V C -1.086 174.919 176.094 -0.148 0.000 1.114 35 V CA -0.631 61.593 62.300 -0.126 0.000 0.940 35 V CB 2.188 33.956 31.823 -0.093 0.000 1.021 35 V HN 0.231 nan 8.190 nan 0.000 0.426 36 L N 4.261 125.411 121.223 -0.123 0.000 2.342 36 L HA 0.647 4.986 4.340 -0.001 0.000 0.271 36 L C -2.446 174.426 176.870 0.003 0.000 1.008 36 L CA -1.806 52.939 54.840 -0.157 0.000 0.818 36 L CB 2.006 43.952 42.059 -0.188 0.000 1.296 36 L HN 0.426 nan 8.230 nan 0.000 0.427 37 P HA 0.193 nan 4.420 nan 0.000 0.275 37 P C 0.693 178.151 177.300 0.263 0.000 1.228 37 P CA -0.223 63.005 63.100 0.214 0.000 0.786 37 P CB 0.702 32.581 31.700 0.298 0.000 0.927 38 E N 2.440 122.718 120.200 0.129 0.000 2.339 38 E HA -0.288 4.061 4.350 -0.001 0.000 0.201 38 E C 1.477 178.112 176.600 0.057 0.000 1.015 38 E CA 1.784 58.236 56.400 0.087 0.000 0.841 38 E CB -1.096 28.633 29.700 0.048 0.000 0.754 38 E HN 0.691 nan 8.360 nan 0.000 0.508 39 R N -1.547 118.964 120.500 0.019 0.000 2.323 39 R HA 0.111 4.450 4.340 -0.001 0.000 0.198 39 R C 0.491 176.530 176.300 -0.436 0.000 0.988 39 R CA 0.843 56.819 56.100 -0.208 0.000 1.041 39 R CB -0.371 29.746 30.300 -0.305 0.000 0.926 39 R HN 0.496 nan 8.270 nan 0.000 0.476 40 Y N 0.547 120.865 120.300 0.030 0.000 2.660 40 Y HA 0.214 4.764 4.550 -0.001 0.000 0.254 40 Y C 1.734 177.654 175.900 0.033 0.000 1.176 40 Y CA -0.403 57.721 58.100 0.040 0.000 1.195 40 Y CB 0.644 39.127 38.460 0.039 0.000 1.190 40 Y HN 0.169 nan 8.280 nan 0.000 0.535 41 S N -0.599 115.162 115.700 0.101 0.000 2.420 41 S HA -0.241 4.228 4.470 -0.001 0.000 0.237 41 S C 1.972 176.601 174.600 0.048 0.000 1.023 41 S CA 1.504 59.747 58.200 0.071 0.000 0.991 41 S CB -0.717 62.508 63.200 0.042 0.000 0.792 41 S HN 0.482 nan 8.310 nan 0.000 0.488 42 S N 1.152 116.879 115.700 0.045 0.000 2.603 42 S HA 0.207 4.677 4.470 -0.001 0.000 0.229 42 S C 1.355 175.980 174.600 0.041 0.000 0.972 42 S CA 0.371 58.591 58.200 0.033 0.000 0.935 42 S CB -0.635 62.586 63.200 0.035 0.000 0.769 42 S HN 0.597 nan 8.310 nan 0.000 0.536 43 L N 0.348 121.614 121.223 0.071 0.000 2.693 43 L HA 0.333 4.673 4.340 -0.001 0.000 0.235 43 L C 2.326 179.212 176.870 0.026 0.000 1.127 43 L CA 0.142 55.024 54.840 0.069 0.000 0.914 43 L CB -0.181 41.958 42.059 0.134 0.000 1.193 43 L HN 0.198 nan 8.230 nan 0.000 0.502 44 E N 1.482 121.688 120.200 0.010 0.000 2.086 44 E HA -0.274 4.076 4.350 -0.001 0.000 0.205 44 E C 1.964 178.510 176.600 -0.090 0.000 1.027 44 E CA 2.477 58.872 56.400 -0.008 0.000 0.830 44 E CB -0.212 29.477 29.700 -0.018 0.000 0.751 44 E HN 0.428 nan 8.360 nan 0.000 0.456 45 T N -2.374 112.034 114.554 -0.244 0.000 3.160 45 T HA 0.035 4.385 4.350 -0.001 0.000 0.257 45 T C 0.943 175.514 174.700 -0.214 0.000 1.147 45 T CA 0.627 62.485 62.100 -0.403 0.000 1.064 45 T CB -0.319 68.182 68.868 -0.612 0.000 0.949 45 T HN 0.152 nan 8.240 nan 0.000 0.526 46 S N -0.705 114.926 115.700 -0.116 0.000 2.977 46 S HA 0.392 4.862 4.470 -0.001 0.000 0.250 46 S C 1.047 175.630 174.600 -0.029 0.000 1.005 46 S CA -0.953 57.187 58.200 -0.100 0.000 1.081 46 S CB 0.135 63.273 63.200 -0.102 0.000 1.018 46 S HN 0.310 nan 8.310 nan 0.000 0.539 47 R N 0.214 120.737 120.500 0.039 0.000 2.120 47 R HA 0.070 4.409 4.340 -0.001 0.000 0.234 47 R C 1.901 178.288 176.300 0.146 0.000 1.123 47 R CA 1.120 57.287 56.100 0.112 0.000 0.975 47 R CB -0.407 30.020 30.300 0.213 0.000 0.866 47 R HN 0.392 nan 8.270 nan 0.000 0.446 48 L N 0.993 122.286 121.223 0.117 0.000 2.131 48 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 48 L C 2.240 179.068 176.870 -0.070 0.000 1.092 48 L CA 2.207 57.095 54.840 0.079 0.000 0.759 48 L CB -0.800 41.214 42.059 -0.075 0.000 0.903 48 L HN 0.283 nan 8.230 nan 0.000 0.435 49 T N -3.839 110.611 114.554 -0.174 0.000 2.985 49 T HA -0.060 4.290 4.350 -0.001 0.000 0.266 49 T C 1.913 176.259 174.700 -0.589 0.000 1.076 49 T CA 0.805 62.669 62.100 -0.394 0.000 1.135 49 T CB -0.351 68.286 68.868 -0.384 0.000 0.890 49 T HN 0.176 nan 8.240 nan 0.000 0.480 50 I N 2.202 122.606 120.570 -0.276 0.000 2.353 50 I HA 0.094 4.263 4.170 -0.001 0.000 0.248 50 I C 3.067 179.117 176.117 -0.112 0.000 1.119 50 I CA 0.895 62.114 61.300 -0.135 0.000 1.417 50 I CB -1.721 36.290 38.000 0.018 0.000 1.078 50 I HN 0.381 nan 8.210 nan 0.000 0.421 51 A N 0.952 123.724 122.820 -0.078 0.000 1.877 51 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 51 A C 2.306 179.799 177.584 -0.151 0.000 1.186 51 A CA 1.449 53.447 52.037 -0.065 0.000 0.620 51 A CB -1.132 17.933 19.000 0.108 0.000 0.822 51 A HN 0.376 nan 8.150 nan 0.000 0.443 52 F N 0.079 119.820 119.950 -0.348 0.000 2.095 52 F HA -0.216 4.310 4.527 -0.001 0.000 0.298 52 F C 2.012 177.489 175.800 -0.537 0.000 1.104 52 F CA 1.810 59.535 58.000 -0.458 0.000 1.232 52 F CB -0.559 38.101 39.000 -0.567 0.000 0.987 52 F HN 0.268 nan 8.300 nan 0.000 0.475 53 F N 0.294 119.854 119.950 -0.650 0.000 2.091 53 F HA -0.270 4.256 4.527 -0.001 0.000 0.299 53 F C 2.645 177.849 175.800 -0.992 0.000 1.103 53 F CA 0.650 58.065 58.000 -0.975 0.000 1.228 53 F CB -0.931 37.855 39.000 -0.358 0.000 0.984 53 F HN 0.159 nan 8.300 nan 0.000 0.477 54 A N 0.337 122.895 122.820 -0.436 0.000 1.897 54 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 54 A C 2.153 179.368 177.584 -0.614 0.000 1.181 54 A CA 1.087 52.797 52.037 -0.544 0.000 0.620 54 A CB -0.918 18.010 19.000 -0.120 0.000 0.821 54 A HN 0.350 nan 8.150 nan 0.000 0.443 55 L N -1.020 119.924 121.223 -0.466 0.000 2.027 55 L HA -0.114 4.226 4.340 -0.001 0.000 0.206 55 L C 2.882 179.482 176.870 -0.451 0.000 1.074 55 L CA 1.538 56.159 54.840 -0.365 0.000 0.745 55 L CB -0.462 41.444 42.059 -0.255 0.000 0.898 55 L HN 0.464 nan 8.230 nan 0.000 0.433 56 S N -0.152 115.123 115.700 -0.708 0.000 2.423 56 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 56 S C 1.924 176.271 174.600 -0.422 0.000 1.014 56 S CA 1.178 58.984 58.200 -0.658 0.000 0.965 56 S CB -0.267 62.174 63.200 -1.265 0.000 0.785 56 S HN 0.526 nan 8.310 nan 0.000 0.495 57 G N 1.247 109.647 108.800 -0.667 0.000 2.402 57 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.216 57 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.216 57 G C 1.366 176.095 174.900 -0.286 0.000 1.162 57 G CA 0.587 45.328 45.100 -0.598 0.000 0.777 57 G HN 0.507 nan 8.290 nan 0.000 0.539 58 L N 0.308 121.343 121.223 -0.314 0.000 2.093 58 L HA -0.020 4.319 4.340 -0.001 0.000 0.208 58 L C 2.523 179.382 176.870 -0.017 0.000 1.085 58 L CA 1.120 55.947 54.840 -0.022 0.000 0.755 58 L CB -0.273 41.770 42.059 -0.027 0.000 0.904 58 L HN 0.159 nan 8.230 nan 0.000 0.435 59 D N 0.226 120.575 120.400 -0.086 0.000 2.097 59 D HA -0.251 4.388 4.640 -0.001 0.000 0.195 59 D C 2.140 178.431 176.300 -0.015 0.000 0.989 59 D CA 1.408 55.377 54.000 -0.052 0.000 0.827 59 D CB 0.061 40.809 40.800 -0.085 0.000 0.966 59 D HN 0.018 nan 8.370 nan 0.000 0.456 60 M N -0.369 119.219 119.600 -0.020 0.000 2.279 60 M HA 0.023 4.502 4.480 -0.001 0.000 0.264 60 M C 1.456 177.789 176.300 0.055 0.000 1.062 60 M CA 1.087 56.388 55.300 0.001 0.000 1.099 60 M CB -0.008 32.572 32.600 -0.032 0.000 1.394 60 M HN 0.084 nan 8.290 nan 0.000 0.426 61 L N -1.340 119.944 121.223 0.103 0.000 2.667 61 L HA 0.125 4.465 4.340 -0.001 0.000 0.232 61 L C 0.136 177.069 176.870 0.105 0.000 1.138 61 L CA -0.203 54.730 54.840 0.155 0.000 0.921 61 L CB -0.332 41.868 42.059 0.236 0.000 1.180 61 L HN 0.221 nan 8.230 nan 0.000 0.487 62 D N 0.587 121.026 120.400 0.065 0.000 2.697 62 D HA -0.197 4.443 4.640 -0.001 0.000 0.238 62 D C 0.255 176.583 176.300 0.047 0.000 1.152 62 D CA 0.701 54.728 54.000 0.046 0.000 0.666 62 D CB -0.733 40.094 40.800 0.046 0.000 1.037 62 D HN 0.208 nan 8.370 nan 0.000 0.423 63 S N -0.160 115.568 115.700 0.047 0.000 3.031 63 S HA 0.191 4.661 4.470 -0.001 0.000 0.253 63 S C 1.514 176.129 174.600 0.026 0.000 0.996 63 S CA -0.595 57.631 58.200 0.044 0.000 1.098 63 S CB 0.262 63.504 63.200 0.070 0.000 1.042 63 S HN 0.407 nan 8.310 nan 0.000 0.593 64 L N 2.260 123.488 121.223 0.010 0.000 2.549 64 L HA -0.111 4.229 4.340 -0.001 0.000 0.230 64 L C 1.868 178.738 176.870 -0.000 0.000 1.162 64 L CA 1.107 55.944 54.840 -0.006 0.000 0.834 64 L CB -0.243 41.806 42.059 -0.016 0.000 0.947 64 L HN 0.496 nan 8.230 nan 0.000 0.452 65 D N -0.238 120.166 120.400 0.007 0.000 2.317 65 D HA -0.112 4.527 4.640 -0.001 0.000 0.211 65 D C 1.691 177.994 176.300 0.004 0.000 0.966 65 D CA 0.962 54.966 54.000 0.006 0.000 0.876 65 D CB -0.136 40.669 40.800 0.009 0.000 0.927 65 D HN 0.381 nan 8.370 nan 0.000 0.519 66 V N -0.430 119.488 119.914 0.006 0.000 3.636 66 V HA 0.134 4.253 4.120 -0.001 0.000 0.279 66 V C 0.650 176.740 176.094 -0.007 0.000 1.263 66 V CA -0.069 62.232 62.300 0.002 0.000 1.182 66 V CB -1.102 30.727 31.823 0.009 0.000 0.955 66 V HN 0.173 nan 8.190 nan 0.000 0.443 67 V N -2.385 117.524 119.914 -0.009 0.000 3.078 67 V HA 0.609 4.729 4.120 -0.001 0.000 0.311 67 V C -0.376 175.713 176.094 -0.009 0.000 1.138 67 V CA -0.941 61.348 62.300 -0.018 0.000 1.007 67 V CB 1.980 33.786 31.823 -0.028 0.000 1.045 67 V HN 0.226 nan 8.190 nan 0.000 0.432 68 N N 2.225 120.919 118.700 -0.009 0.000 2.663 68 N HA 0.231 4.971 4.740 -0.001 0.000 0.250 68 N C 0.891 176.414 175.510 0.021 0.000 1.129 68 N CA 0.004 53.058 53.050 0.006 0.000 0.995 68 N CB 0.730 39.220 38.487 0.006 0.000 1.324 68 N HN 0.813 nan 8.380 nan 0.000 0.512 69 K N 1.041 121.455 120.400 0.023 0.000 2.173 69 K HA -0.176 4.144 4.320 -0.001 0.000 0.207 69 K C 0.719 177.358 176.600 0.065 0.000 1.046 69 K CA 1.363 57.671 56.287 0.036 0.000 0.929 69 K CB 0.295 32.814 32.500 0.030 0.000 0.720 69 K HN 0.504 nan 8.250 nan 0.000 0.453 70 D N 0.827 121.265 120.400 0.064 0.000 2.123 70 D HA -0.116 4.524 4.640 -0.001 0.000 0.200 70 D C 1.480 177.849 176.300 0.115 0.000 0.976 70 D CA 1.076 55.128 54.000 0.086 0.000 0.831 70 D CB -0.126 40.714 40.800 0.067 0.000 0.974 70 D HN 0.166 nan 8.370 nan 0.000 0.469 71 D N 0.988 121.445 120.400 0.095 0.000 2.084 71 D HA -0.081 4.559 4.640 -0.001 0.000 0.194 71 D C 2.342 178.752 176.300 0.183 0.000 0.990 71 D CA 0.443 54.515 54.000 0.119 0.000 0.826 71 D CB -0.381 40.455 40.800 0.059 0.000 0.971 71 D HN 0.252 nan 8.370 nan 0.000 0.453 72 I N 0.847 121.501 120.570 0.139 0.000 2.264 72 I HA -0.233 3.937 4.170 -0.001 0.000 0.248 72 I C 2.356 178.638 176.117 0.274 0.000 1.111 72 I CA 0.743 62.161 61.300 0.198 0.000 1.382 72 I CB -0.204 37.853 38.000 0.095 0.000 1.060 72 I HN -0.010 nan 8.210 nan 0.000 0.418 73 I N 0.354 121.046 120.570 0.204 0.000 2.315 73 I HA -0.224 3.945 4.170 -0.001 0.000 0.248 73 I C 2.495 178.793 176.117 0.302 0.000 1.117 73 I CA 1.097 62.522 61.300 0.208 0.000 1.404 73 I CB -0.380 37.748 38.000 0.212 0.000 1.071 73 I HN 0.230 nan 8.210 nan 0.000 0.419 74 E N -0.014 120.375 120.200 0.316 0.000 2.106 74 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 74 E C 1.711 178.521 176.600 0.350 0.000 0.984 74 E CA 1.080 57.681 56.400 0.335 0.000 0.806 74 E CB -0.418 29.485 29.700 0.338 0.000 0.750 74 E HN 0.596 nan 8.360 nan 0.000 0.458 75 W N 1.853 123.296 121.300 0.239 0.000 2.355 75 W HA -0.137 4.522 4.660 -0.001 0.000 0.309 75 W C 1.993 178.578 176.519 0.110 0.000 1.206 75 W CA 1.471 58.961 57.345 0.242 0.000 1.284 75 W CB -0.488 29.082 29.460 0.184 0.000 1.145 75 W HN -0.063 nan 8.180 nan 0.000 0.502 76 I N -0.581 120.002 120.570 0.022 0.000 2.163 76 I HA -0.373 3.797 4.170 -0.001 0.000 0.243 76 I C 2.124 178.137 176.117 -0.172 0.000 1.085 76 I CA 1.509 62.658 61.300 -0.251 0.000 1.347 76 I CB -0.903 37.002 38.000 -0.158 0.000 1.044 76 I HN -0.056 nan 8.210 nan 0.000 0.408 77 Y N 1.077 121.368 120.300 -0.015 0.000 2.403 77 Y HA -0.206 4.344 4.550 -0.001 0.000 0.291 77 Y C 2.917 178.667 175.900 -0.250 0.000 1.143 77 Y CA 1.358 59.426 58.100 -0.053 0.000 1.257 77 Y CB -0.566 37.871 38.460 -0.037 0.000 0.984 77 Y HN 0.271 nan 8.280 nan 0.000 0.550 78 S N -0.981 114.572 115.700 -0.244 0.000 2.515 78 S HA -0.060 4.410 4.470 -0.001 0.000 0.231 78 S C 1.494 175.861 174.600 -0.388 0.000 0.987 78 S CA 0.643 58.553 58.200 -0.483 0.000 0.936 78 S CB -0.617 62.036 63.200 -0.913 0.000 0.766 78 S HN 0.489 nan 8.310 nan 0.000 0.528 79 L N 0.488 121.498 121.223 -0.354 0.000 2.592 79 L HA 0.287 4.627 4.340 -0.001 0.000 0.227 79 L C 1.274 177.921 176.870 -0.372 0.000 1.127 79 L CA -0.042 54.614 54.840 -0.307 0.000 0.884 79 L CB -0.165 41.716 42.059 -0.296 0.000 1.065 79 L HN 0.403 nan 8.230 nan 0.000 0.457 80 Q N 1.301 120.753 119.800 -0.581 0.000 2.304 80 Q HA 0.193 4.532 4.340 -0.001 0.000 0.260 80 Q C -0.693 174.989 176.000 -0.531 0.000 0.965 80 Q CA -0.256 54.949 55.803 -0.997 0.000 0.898 80 Q CB 1.505 29.618 28.738 -1.042 0.000 1.196 80 Q HN -0.019 nan 8.270 nan 0.000 0.402 81 V N 6.948 126.586 119.914 -0.460 0.000 2.322 81 V HA 0.166 4.286 4.120 -0.001 0.000 0.258 81 V C 0.195 176.147 176.094 -0.237 0.000 1.074 81 V CA -0.163 61.974 62.300 -0.272 0.000 0.909 81 V CB -0.018 31.689 31.823 -0.194 0.000 1.090 81 V HN 0.723 nan 8.190 nan 0.000 0.486 82 L N 7.714 128.815 121.223 -0.204 0.000 2.418 82 L HA 0.457 4.797 4.340 -0.001 0.000 0.265 82 L C -1.760 175.040 176.870 -0.117 0.000 1.143 82 L CA -1.732 53.013 54.840 -0.158 0.000 0.809 82 L CB 1.071 43.043 42.059 -0.145 0.000 1.124 82 L HN 0.372 nan 8.230 nan 0.000 0.456 83 P HA 0.087 nan 4.420 nan 0.000 0.274 83 P C -0.567 176.691 177.300 -0.070 0.000 1.231 83 P CA -0.383 62.670 63.100 -0.077 0.000 0.790 83 P CB 0.682 32.341 31.700 -0.068 0.000 0.951 84 T N -2.604 111.914 114.554 -0.060 0.000 2.816 84 T HA 0.327 4.677 4.350 -0.001 0.000 0.282 84 T C 1.708 176.379 174.700 -0.048 0.000 0.993 84 T CA 0.221 62.289 62.100 -0.053 0.000 0.994 84 T CB -0.212 68.628 68.868 -0.047 0.000 1.025 84 T HN 0.442 nan 8.240 nan 0.000 0.529 85 E N 1.139 121.313 120.200 -0.044 0.000 2.065 85 E HA -0.254 4.096 4.350 -0.001 0.000 0.201 85 E C 1.502 178.079 176.600 -0.037 0.000 1.016 85 E CA 1.978 58.354 56.400 -0.040 0.000 0.818 85 E CB -1.491 28.188 29.700 -0.035 0.000 0.749 85 E HN 0.972 nan 8.360 nan 0.000 0.453 86 D N -0.462 119.917 120.400 -0.036 0.000 2.352 86 D HA -0.050 4.590 4.640 -0.001 0.000 0.232 86 D C 0.334 176.612 176.300 -0.036 0.000 1.055 86 D CA 0.354 54.334 54.000 -0.034 0.000 0.891 86 D CB -0.521 40.259 40.800 -0.032 0.000 0.897 86 D HN 0.484 nan 8.370 nan 0.000 0.529 87 R N 0.013 120.489 120.500 -0.040 0.000 3.484 87 R HA -0.187 4.152 4.340 -0.001 0.000 0.260 87 R C 0.707 176.983 176.300 -0.040 0.000 1.053 87 R CA 0.933 57.008 56.100 -0.042 0.000 0.703 87 R CB -2.605 27.672 30.300 -0.040 0.000 1.089 87 R HN 0.483 nan 8.270 nan 0.000 0.459 88 S N -0.078 115.597 115.700 -0.040 0.000 2.593 88 S HA -0.032 4.437 4.470 -0.001 0.000 0.217 88 S C 0.998 175.573 174.600 -0.042 0.000 0.966 88 S CA 0.312 58.489 58.200 -0.039 0.000 0.914 88 S CB 0.127 63.304 63.200 -0.038 0.000 0.776 88 S HN 0.534 nan 8.310 nan 0.000 0.523 89 N N 1.166 119.838 118.700 -0.046 0.000 2.401 89 N HA 0.223 4.962 4.740 -0.001 0.000 0.264 89 N C 0.749 176.229 175.510 -0.050 0.000 1.238 89 N CA -0.397 52.623 53.050 -0.049 0.000 0.889 89 N CB -0.437 38.018 38.487 -0.053 0.000 1.196 89 N HN 0.325 nan 8.380 nan 0.000 0.511 90 L N 0.064 121.260 121.223 -0.045 0.000 2.083 90 L HA -0.102 4.238 4.340 -0.001 0.000 0.209 90 L C 0.917 177.763 176.870 -0.039 0.000 1.083 90 L CA 1.263 56.077 54.840 -0.044 0.000 0.752 90 L CB -0.182 41.854 42.059 -0.038 0.000 0.899 90 L HN 0.104 nan 8.230 nan 0.000 0.433 91 D N 0.087 120.466 120.400 -0.035 0.000 2.392 91 D HA -0.094 4.545 4.640 -0.001 0.000 0.228 91 D C 1.471 177.751 176.300 -0.032 0.000 1.003 91 D CA 0.778 54.761 54.000 -0.029 0.000 0.917 91 D CB 0.070 40.853 40.800 -0.028 0.000 0.890 91 D HN 0.408 nan 8.370 nan 0.000 0.532 92 R N -0.653 119.823 120.500 -0.040 0.000 2.565 92 R HA 0.209 4.549 4.340 -0.001 0.000 0.347 92 R C 0.110 176.378 176.300 -0.053 0.000 1.010 92 R CA -0.226 55.849 56.100 -0.043 0.000 1.126 92 R CB 0.427 30.700 30.300 -0.045 0.000 1.331 92 R HN 0.024 nan 8.270 nan 0.000 0.552 93 C N 0.738 120.004 119.300 -0.056 0.000 2.520 93 C HA 0.791 5.250 4.460 -0.001 0.000 0.376 93 C C 1.393 176.350 174.990 -0.055 0.000 1.268 93 C CA 0.275 59.247 59.018 -0.077 0.000 2.414 93 C CB 1.004 28.696 27.740 -0.081 0.000 2.521 93 C HN 0.783 nan 8.230 nan 0.000 0.618 94 G N 0.629 109.377 108.800 -0.087 0.000 2.366 94 G HA2 0.271 4.231 3.960 -0.001 0.000 0.190 94 G HA3 0.271 4.231 3.960 -0.001 0.000 0.190 94 G C -1.604 173.251 174.900 -0.075 0.000 1.299 94 G CA -0.498 44.617 45.100 0.027 0.000 1.056 94 G HN 0.428 nan 8.290 nan 0.000 0.468 95 F N 1.107 121.012 119.950 -0.075 0.000 2.593 95 F HA 0.785 5.312 4.527 -0.001 0.000 0.320 95 F C 0.843 176.598 175.800 -0.074 0.000 1.060 95 F CA -0.729 57.209 58.000 -0.105 0.000 0.940 95 F CB 2.096 41.008 39.000 -0.147 0.000 1.268 95 F HN 0.391 nan 8.300 nan 0.000 0.475 96 R N -0.056 120.481 120.500 0.061 0.000 2.573 96 R HA 0.474 4.814 4.340 -0.001 0.000 0.272 96 R C 0.977 177.299 176.300 0.037 0.000 1.009 96 R CA -0.345 55.783 56.100 0.045 0.000 1.059 96 R CB 0.788 31.072 30.300 -0.027 0.000 1.112 96 R HN 0.908 nan 8.270 nan 0.000 0.517 97 G N -0.014 108.827 108.800 0.067 0.000 2.464 97 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.217 97 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.217 97 G C 0.304 175.232 174.900 0.046 0.000 1.138 97 G CA 0.930 46.029 45.100 -0.001 0.000 0.793 97 G HN 0.634 nan 8.290 nan 0.000 0.539 98 S N -1.979 113.804 115.700 0.139 0.000 2.694 98 S HA 0.344 4.814 4.470 -0.001 0.000 0.273 98 S C 0.345 175.051 174.600 0.176 0.000 1.180 98 S CA 0.472 58.778 58.200 0.178 0.000 0.864 98 S CB 0.729 64.091 63.200 0.270 0.000 1.198 98 S HN 0.505 nan 8.310 nan 0.000 0.499 99 S N 0.243 116.054 115.700 0.185 0.000 2.622 99 S HA 0.133 4.603 4.470 -0.001 0.000 0.236 99 S C 1.287 175.930 174.600 0.072 0.000 0.956 99 S CA 0.154 58.405 58.200 0.085 0.000 0.971 99 S CB -1.325 61.958 63.200 0.139 0.000 0.782 99 S HN 1.005 nan 8.310 nan 0.000 0.468 100 Y N 0.722 121.045 120.300 0.038 0.000 2.446 100 Y HA 0.070 4.619 4.550 -0.001 0.000 0.287 100 Y C 1.419 177.332 175.900 0.022 0.000 1.159 100 Y CA 0.306 58.427 58.100 0.036 0.000 1.297 100 Y CB -0.711 37.767 38.460 0.031 0.000 0.974 100 Y HN 0.314 nan 8.280 nan 0.000 0.557 101 L N 0.547 121.395 121.223 -0.624 0.000 2.478 101 L HA 0.148 4.487 4.340 -0.001 0.000 0.223 101 L C 1.679 178.463 176.870 -0.143 0.000 1.140 101 L CA 0.978 55.544 54.840 -0.457 0.000 0.842 101 L CB -0.714 40.962 42.059 -0.638 0.000 0.953 101 L HN 0.673 nan 8.230 nan 0.000 0.452 102 G N 1.097 109.849 108.800 -0.078 0.000 2.149 102 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.235 102 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.235 102 G C 0.102 175.014 174.900 0.021 0.000 1.018 102 G CA -0.268 44.838 45.100 0.009 0.000 0.728 102 G HN 0.276 nan 8.290 nan 0.000 0.508 103 I N 2.222 122.780 120.570 -0.020 0.000 2.395 103 I HA 0.244 4.414 4.170 -0.001 0.000 0.289 103 I C -0.930 175.202 176.117 0.024 0.000 1.023 103 I CA -1.982 59.317 61.300 -0.003 0.000 1.350 103 I CB 0.950 38.910 38.000 -0.067 0.000 1.409 103 I HN 0.026 nan 8.210 nan 0.000 0.507 104 P HA -0.113 nan 4.420 nan 0.000 0.261 104 P C -0.412 176.946 177.300 0.096 0.000 1.183 104 P CA -0.026 63.121 63.100 0.078 0.000 0.761 104 P CB 0.240 31.974 31.700 0.057 0.000 0.785 105 F N 3.983 123.939 119.950 0.009 0.000 2.514 105 F HA -0.051 4.476 4.527 -0.001 0.000 0.399 105 F C 0.477 176.281 175.800 0.006 0.000 1.011 105 F CA 0.611 58.620 58.000 0.015 0.000 1.109 105 F CB -0.272 38.754 39.000 0.043 0.000 0.980 105 F HN 0.339 nan 8.300 nan 0.000 0.538 106 N N 7.886 126.345 118.700 -0.402 0.000 2.609 106 N HA 0.329 5.068 4.740 -0.001 0.000 0.268 106 N C -2.866 172.399 175.510 -0.410 0.000 1.106 106 N CA -2.003 50.875 53.050 -0.287 0.000 0.823 106 N CB 1.277 39.676 38.487 -0.146 0.000 1.263 106 N HN 0.133 nan 8.380 nan 0.000 0.533 107 P HA 0.056 nan 4.420 nan 0.000 0.244 107 P C -0.667 176.538 177.300 -0.158 0.000 1.723 107 P CA 0.182 63.119 63.100 -0.272 0.000 1.110 107 P CB -0.388 31.236 31.700 -0.125 0.000 1.972 108 S N -0.402 115.202 115.700 -0.160 0.000 3.491 108 S HA -0.237 4.233 4.470 -0.001 0.000 0.371 108 S C 1.267 175.767 174.600 -0.166 0.000 0.980 108 S CA 1.622 59.728 58.200 -0.156 0.000 1.204 108 S CB -1.421 61.696 63.200 -0.139 0.000 0.915 108 S HN 0.797 nan 8.310 nan 0.000 0.482 109 K N 0.406 120.726 120.400 -0.133 0.000 2.530 109 K HA 0.555 4.874 4.320 -0.001 0.000 0.218 109 K C 0.839 177.387 176.600 -0.088 0.000 1.064 109 K CA 0.925 57.151 56.287 -0.103 0.000 1.084 109 K CB -1.357 31.100 32.500 -0.071 0.000 1.392 109 K HN 0.892 nan 8.250 nan 0.000 0.465 110 N N 1.228 119.886 118.700 -0.071 0.000 2.207 110 N HA 0.422 5.161 4.740 -0.001 0.000 0.223 110 N C -0.357 175.110 175.510 -0.072 0.000 1.339 110 N CA -0.090 52.924 53.050 -0.061 0.000 0.889 110 N CB -1.371 37.088 38.487 -0.047 0.000 1.128 110 N HN 0.748 nan 8.380 nan 0.000 0.456 111 P HA 0.521 nan 4.420 nan 0.000 0.327 111 P C 0.607 177.863 177.300 -0.074 0.000 1.342 111 P CA 1.259 64.319 63.100 -0.067 0.000 0.761 111 P CB -0.300 31.367 31.700 -0.055 0.000 1.675 112 G N -1.891 106.867 108.800 -0.069 0.000 2.368 112 G HA2 0.568 4.527 3.960 -0.001 0.000 0.320 112 G HA3 0.568 4.527 3.960 -0.001 0.000 0.320 112 G C 0.110 174.979 174.900 -0.053 0.000 1.158 112 G CA 0.895 45.952 45.100 -0.072 0.000 0.912 112 G HN 0.742 nan 8.290 nan 0.000 0.456 113 T N 1.070 115.597 114.554 -0.046 0.000 2.855 113 T HA 0.634 4.983 4.350 -0.001 0.000 0.290 113 T C 0.912 175.610 174.700 -0.003 0.000 0.941 113 T CA 0.217 62.303 62.100 -0.023 0.000 1.030 113 T CB -0.111 68.749 68.868 -0.014 0.000 0.935 113 T HN 1.278 nan 8.240 nan 0.000 0.564 114 A N 3.523 126.337 122.820 -0.010 0.000 2.603 114 A HA 0.401 4.720 4.320 -0.001 0.000 0.235 114 A C 0.314 177.928 177.584 0.049 0.000 1.035 114 A CA 0.363 52.400 52.037 -0.001 0.000 0.755 114 A CB -0.168 18.816 19.000 -0.026 0.000 0.954 114 A HN 0.988 nan 8.150 nan 0.000 0.511 115 H N 3.164 122.193 119.070 -0.067 0.000 3.042 115 H HA 0.332 4.888 4.556 -0.001 0.000 0.345 115 H C -2.394 172.878 175.328 -0.094 0.000 1.052 115 H CA -1.471 54.542 56.048 -0.057 0.000 1.311 115 H CB 1.835 31.570 29.762 -0.044 0.000 1.810 115 H HN 0.354 nan 8.280 nan 0.000 0.505 116 P HA -0.138 nan 4.420 nan 0.000 0.217 116 P C 0.088 177.156 177.300 -0.387 0.000 1.151 116 P CA 1.567 64.527 63.100 -0.233 0.000 0.849 116 P CB 0.107 31.607 31.700 -0.333 0.000 0.787 117 Y N -2.599 117.919 120.300 0.363 0.000 2.641 117 Y HA 0.271 4.821 4.550 -0.001 0.000 0.248 117 Y C 0.236 176.096 175.900 -0.067 0.000 1.170 117 Y CA -0.981 57.193 58.100 0.123 0.000 1.201 117 Y CB -0.011 38.528 38.460 0.132 0.000 1.232 117 Y HN -0.141 nan 8.280 nan 0.000 0.537 118 D N 1.446 121.804 120.400 -0.070 0.000 2.280 118 D HA 0.474 5.113 4.640 -0.001 0.000 0.243 118 D C -0.257 175.987 176.300 -0.094 0.000 1.129 118 D CA 0.157 54.030 54.000 -0.211 0.000 0.848 118 D CB 0.767 41.358 40.800 -0.348 0.000 1.107 118 D HN 0.148 nan 8.370 nan 0.000 0.471 119 S N 1.465 117.124 115.700 -0.068 0.000 2.611 119 S HA 0.709 5.178 4.470 -0.001 0.000 0.268 119 S C 0.166 174.757 174.600 -0.015 0.000 1.156 119 S CA -0.856 57.318 58.200 -0.043 0.000 0.817 119 S CB 0.702 63.890 63.200 -0.020 0.000 1.122 119 S HN 0.490 nan 8.310 nan 0.000 0.466 120 G N 0.083 108.873 108.800 -0.016 0.000 2.634 120 G HA2 0.467 4.427 3.960 -0.001 0.000 0.255 120 G HA3 0.467 4.427 3.960 -0.001 0.000 0.255 120 G C -0.694 174.247 174.900 0.068 0.000 1.205 120 G CA -0.229 44.889 45.100 0.029 0.000 0.884 120 G HN 0.876 nan 8.290 nan 0.000 0.549 121 H N 0.799 119.865 119.070 -0.007 0.000 2.744 121 H HA 0.218 4.774 4.556 -0.001 0.000 0.339 121 H C 1.081 176.371 175.328 -0.063 0.000 1.004 121 H CA -0.712 55.307 56.048 -0.049 0.000 1.257 121 H CB 1.758 31.506 29.762 -0.023 0.000 1.552 121 H HN 0.386 nan 8.280 nan 0.000 0.522 122 I N 4.003 124.412 120.570 -0.268 0.000 2.236 122 I HA -0.338 3.832 4.170 -0.001 0.000 0.249 122 I C 1.916 178.070 176.117 0.061 0.000 1.102 122 I CA 1.944 63.154 61.300 -0.149 0.000 1.365 122 I CB -0.051 37.763 38.000 -0.309 0.000 1.051 122 I HN 0.703 nan 8.210 nan 0.000 0.420 123 A N -0.194 122.786 122.820 0.268 0.000 2.066 123 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 123 A C 2.087 179.778 177.584 0.178 0.000 1.157 123 A CA 1.071 53.318 52.037 0.350 0.000 0.670 123 A CB -0.260 19.016 19.000 0.459 0.000 0.804 123 A HN 0.430 nan 8.150 nan 0.000 0.453 124 M N -0.969 118.731 119.600 0.167 0.000 2.394 124 M HA 0.006 4.485 4.480 -0.001 0.000 0.266 124 M C 1.991 178.245 176.300 -0.077 0.000 1.098 124 M CA 1.473 56.770 55.300 -0.005 0.000 1.149 124 M CB -1.904 30.720 32.600 0.040 0.000 1.369 124 M HN 0.306 nan 8.290 nan 0.000 0.450 125 T N 0.532 115.101 114.554 0.025 0.000 2.746 125 T HA -0.164 4.186 4.350 -0.001 0.000 0.267 125 T C 1.699 176.291 174.700 -0.181 0.000 1.039 125 T CA 1.441 63.525 62.100 -0.028 0.000 1.142 125 T CB -0.442 68.479 68.868 0.088 0.000 0.866 125 T HN 0.359 nan 8.240 nan 0.000 0.444 126 Y N 3.019 123.199 120.300 -0.199 0.000 2.089 126 Y HA -0.202 4.347 4.550 -0.001 0.000 0.282 126 Y C 2.693 178.398 175.900 -0.325 0.000 1.139 126 Y CA 1.951 59.906 58.100 -0.242 0.000 1.123 126 Y CB -1.269 37.071 38.460 -0.200 0.000 0.980 126 Y HN 0.286 nan 8.280 nan 0.000 0.493 127 T N -1.930 112.081 114.554 -0.904 0.000 2.881 127 T HA -0.039 4.310 4.350 -0.001 0.000 0.270 127 T C 2.171 176.509 174.700 -0.603 0.000 1.068 127 T CA 1.064 62.551 62.100 -1.021 0.000 1.131 127 T CB -1.314 67.083 68.868 -0.786 0.000 0.871 127 T HN 0.455 nan 8.240 nan 0.000 0.479 128 G N 1.898 110.343 108.800 -0.591 0.000 2.434 128 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.214 128 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.214 128 G C 1.481 175.956 174.900 -0.709 0.000 1.202 128 G CA 0.634 45.291 45.100 -0.738 0.000 0.788 128 G HN 0.496 nan 8.290 nan 0.000 0.539 129 L N 0.648 121.455 121.223 -0.694 0.000 2.012 129 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 129 L C 3.113 179.834 176.870 -0.250 0.000 1.073 129 L CA 1.433 56.030 54.840 -0.405 0.000 0.748 129 L CB -0.548 41.368 42.059 -0.237 0.000 0.891 129 L HN 0.357 nan 8.230 nan 0.000 0.431 130 S N -0.904 114.629 115.700 -0.279 0.000 2.359 130 S HA -0.243 4.226 4.470 -0.001 0.000 0.224 130 S C 2.168 176.720 174.600 -0.080 0.000 1.035 130 S CA 1.736 59.837 58.200 -0.166 0.000 1.018 130 S CB -0.345 62.640 63.200 -0.359 0.000 0.876 130 S HN 0.511 nan 8.310 nan 0.000 0.448 131 C N 0.957 120.181 119.300 -0.126 0.000 2.446 131 C HA 0.080 4.540 4.460 -0.001 0.000 0.277 131 C C 2.536 177.471 174.990 -0.092 0.000 1.275 131 C CA 0.578 59.550 59.018 -0.078 0.000 1.727 131 C CB -1.559 26.130 27.740 -0.086 0.000 2.010 131 C HN 0.593 nan 8.230 nan 0.000 0.486 132 L N 0.401 121.534 121.223 -0.150 0.000 2.012 132 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 132 L C 2.391 179.241 176.870 -0.034 0.000 1.073 132 L CA 1.689 56.464 54.840 -0.109 0.000 0.748 132 L CB -0.558 41.395 42.059 -0.176 0.000 0.891 132 L HN 0.358 nan 8.230 nan 0.000 0.431 133 I N -0.224 120.326 120.570 -0.033 0.000 2.226 133 I HA -0.321 3.848 4.170 -0.001 0.000 0.245 133 I C 2.418 178.527 176.117 -0.015 0.000 1.100 133 I CA 1.476 62.769 61.300 -0.010 0.000 1.374 133 I CB -0.265 37.728 38.000 -0.012 0.000 1.057 133 I HN 0.201 nan 8.210 nan 0.000 0.413 134 I N 0.539 121.095 120.570 -0.024 0.000 2.286 134 I HA -0.280 3.889 4.170 -0.001 0.000 0.248 134 I C 2.182 178.282 176.117 -0.028 0.000 1.115 134 I CA 1.449 62.728 61.300 -0.034 0.000 1.392 134 I CB -0.260 37.700 38.000 -0.067 0.000 1.065 134 I HN 0.232 nan 8.210 nan 0.000 0.418 135 L N 0.251 121.462 121.223 -0.019 0.000 2.552 135 L HA 0.096 4.435 4.340 -0.001 0.000 0.227 135 L C 1.680 178.561 176.870 0.018 0.000 1.146 135 L CA 0.741 55.581 54.840 -0.001 0.000 0.858 135 L CB -0.321 41.746 42.059 0.012 0.000 0.969 135 L HN 0.540 nan 8.230 nan 0.000 0.451 136 G N -0.755 108.056 108.800 0.017 0.000 2.194 136 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.236 136 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.236 136 G C 0.268 175.200 174.900 0.053 0.000 0.987 136 G CA 0.077 45.194 45.100 0.028 0.000 0.635 136 G HN 0.372 nan 8.290 nan 0.000 0.520 137 D N 1.337 121.783 120.400 0.076 0.000 2.364 137 D HA 0.128 4.767 4.640 -0.001 0.000 0.236 137 D C 0.886 177.267 176.300 0.135 0.000 1.221 137 D CA 0.823 54.901 54.000 0.129 0.000 0.891 137 D CB 0.407 41.318 40.800 0.185 0.000 1.190 137 D HN 0.434 nan 8.370 nan 0.000 0.449 138 D N 1.615 122.121 120.400 0.178 0.000 2.402 138 D HA -0.016 4.624 4.640 -0.001 0.000 0.216 138 D C 1.025 177.526 176.300 0.336 0.000 1.128 138 D CA -0.321 53.810 54.000 0.218 0.000 0.833 138 D CB 0.287 41.204 40.800 0.196 0.000 0.971 138 D HN 0.227 nan 8.370 nan 0.000 0.503 139 L N 1.146 122.558 121.223 0.316 0.000 4.429 139 L HA -0.298 4.041 4.340 -0.001 0.000 0.422 139 L C 1.897 178.908 176.870 0.235 0.000 1.149 139 L CA 1.092 56.134 54.840 0.337 0.000 0.972 139 L CB -2.953 39.342 42.059 0.392 0.000 2.059 139 L HN 0.259 nan 8.230 nan 0.000 0.870 140 S N -1.281 114.526 115.700 0.178 0.000 2.402 140 S HA -0.108 4.361 4.470 -0.001 0.000 0.229 140 S C 1.682 176.276 174.600 -0.011 0.000 1.021 140 S CA 1.179 59.410 58.200 0.051 0.000 0.974 140 S CB -0.211 63.013 63.200 0.039 0.000 0.800 140 S HN 0.651 nan 8.310 nan 0.000 0.484 141 R N 0.780 121.263 120.500 -0.029 0.000 2.310 141 R HA 0.290 4.629 4.340 -0.001 0.000 0.202 141 R C -0.538 175.804 176.300 0.069 0.000 0.933 141 R CA -0.042 55.951 56.100 -0.178 0.000 1.054 141 R CB 0.041 29.879 30.300 -0.770 0.000 0.985 141 R HN 0.257 nan 8.270 nan 0.000 0.489 142 V N 2.013 122.055 119.914 0.214 0.000 2.432 142 V HA 0.001 4.121 4.120 -0.001 0.000 0.271 142 V C 0.270 176.393 176.094 0.049 0.000 1.046 142 V CA -0.569 61.869 62.300 0.230 0.000 0.945 142 V CB 1.331 33.307 31.823 0.255 0.000 0.992 142 V HN 0.108 nan 8.190 nan 0.000 0.471 143 D N 5.046 125.450 120.400 0.008 0.000 2.498 143 D HA 0.072 4.711 4.640 -0.001 0.000 0.229 143 D C 1.295 177.568 176.300 -0.045 0.000 1.188 143 D CA -0.007 53.965 54.000 -0.047 0.000 1.028 143 D CB 0.441 41.200 40.800 -0.068 0.000 1.087 143 D HN 0.524 nan 8.370 nan 0.000 0.510 144 K N 1.356 121.713 120.400 -0.071 0.000 2.089 144 K HA -0.189 4.131 4.320 -0.001 0.000 0.210 144 K C 1.499 178.053 176.600 -0.076 0.000 1.048 144 K CA 0.975 57.211 56.287 -0.086 0.000 0.926 144 K CB 0.266 32.660 32.500 -0.177 0.000 0.714 144 K HN 0.325 nan 8.250 nan 0.000 0.448 145 E N 0.410 120.561 120.200 -0.082 0.000 2.106 145 E HA -0.127 4.223 4.350 -0.001 0.000 0.192 145 E C 2.032 178.602 176.600 -0.050 0.000 0.984 145 E CA 1.069 57.430 56.400 -0.066 0.000 0.806 145 E CB -0.161 29.499 29.700 -0.066 0.000 0.750 145 E HN 0.337 nan 8.360 nan 0.000 0.458 146 A N 0.738 123.526 122.820 -0.052 0.000 1.873 146 A HA -0.176 4.144 4.320 -0.001 0.000 0.215 146 A C 2.643 180.205 177.584 -0.037 0.000 1.186 146 A CA 1.389 53.397 52.037 -0.049 0.000 0.616 146 A CB -0.921 18.041 19.000 -0.063 0.000 0.823 146 A HN 0.343 nan 8.150 nan 0.000 0.442 147 C N -0.642 118.643 119.300 -0.025 0.000 2.413 147 C HA -0.088 4.371 4.460 -0.001 0.000 0.276 147 C C 2.645 177.628 174.990 -0.012 0.000 1.236 147 C CA 1.084 60.101 59.018 -0.001 0.000 1.735 147 C CB -1.576 26.187 27.740 0.038 0.000 2.031 147 C HN 0.623 nan 8.230 nan 0.000 0.474 148 L N 1.017 122.225 121.223 -0.026 0.000 2.083 148 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 148 L C 2.862 179.728 176.870 -0.006 0.000 1.083 148 L CA 1.517 56.342 54.840 -0.025 0.000 0.752 148 L CB -0.741 41.295 42.059 -0.039 0.000 0.899 148 L HN 0.354 nan 8.230 nan 0.000 0.433 149 A N 0.316 123.128 122.820 -0.014 0.000 1.902 149 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 149 A C 2.416 179.998 177.584 -0.004 0.000 1.181 149 A CA 1.675 53.706 52.037 -0.010 0.000 0.623 149 A CB -1.193 17.794 19.000 -0.022 0.000 0.818 149 A HN 0.429 nan 8.150 nan 0.000 0.443 150 G N -0.443 108.352 108.800 -0.009 0.000 2.418 150 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.217 150 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.217 150 G C 1.584 176.494 174.900 0.017 0.000 1.158 150 G CA 0.900 45.996 45.100 -0.006 0.000 0.771 150 G HN 0.405 nan 8.290 nan 0.000 0.545 151 L N -0.235 121.006 121.223 0.029 0.000 1.989 151 L HA -0.081 4.259 4.340 -0.001 0.000 0.211 151 L C 3.223 180.194 176.870 0.169 0.000 1.071 151 L CA 1.307 56.195 54.840 0.080 0.000 0.749 151 L CB -0.282 41.799 42.059 0.036 0.000 0.890 151 L HN 0.193 nan 8.230 nan 0.000 0.431 152 R N -0.587 119.980 120.500 0.111 0.000 2.103 152 R HA -0.226 4.114 4.340 -0.001 0.000 0.242 152 R C 2.196 178.516 176.300 0.032 0.000 1.142 152 R CA 1.520 57.672 56.100 0.087 0.000 0.960 152 R CB -0.492 29.833 30.300 0.043 0.000 0.858 152 R HN 0.457 nan 8.270 nan 0.000 0.439 153 A N 0.683 123.516 122.820 0.021 0.000 2.070 153 A HA -0.105 4.214 4.320 -0.001 0.000 0.220 153 A C 2.012 179.585 177.584 -0.018 0.000 1.159 153 A CA 1.096 53.128 52.037 -0.009 0.000 0.656 153 A CB -0.328 18.665 19.000 -0.011 0.000 0.800 153 A HN 0.216 nan 8.150 nan 0.000 0.453 154 L N -1.036 120.204 121.223 0.027 0.000 2.418 154 L HA 0.019 4.358 4.340 -0.001 0.000 0.218 154 L C 1.464 178.270 176.870 -0.107 0.000 1.125 154 L CA 0.063 54.923 54.840 0.034 0.000 0.835 154 L CB -0.254 41.899 42.059 0.157 0.000 0.953 154 L HN 0.509 nan 8.230 nan 0.000 0.454 155 Q N 1.341 120.937 119.800 -0.339 0.000 2.332 155 Q HA 0.287 4.626 4.340 -0.001 0.000 0.263 155 Q C -0.537 175.209 176.000 -0.423 0.000 0.979 155 Q CA -0.049 55.248 55.803 -0.842 0.000 0.885 155 Q CB 0.885 29.012 28.738 -1.018 0.000 1.218 155 Q HN 0.233 nan 8.270 nan 0.000 0.405 156 L N 2.374 123.360 121.223 -0.394 0.000 2.440 156 L HA 0.327 4.666 4.340 -0.001 0.000 0.262 156 L C 1.808 178.575 176.870 -0.172 0.000 1.072 156 L CA 0.024 54.737 54.840 -0.212 0.000 0.798 156 L CB 0.344 42.311 42.059 -0.154 0.000 1.307 156 L HN 0.892 nan 8.230 nan 0.000 0.475 157 E N 0.689 120.831 120.200 -0.097 0.000 2.085 157 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 157 E C 1.300 177.875 176.600 -0.040 0.000 0.994 157 E CA 1.632 57.995 56.400 -0.061 0.000 0.801 157 E CB -0.869 28.812 29.700 -0.032 0.000 0.743 157 E HN 0.874 nan 8.360 nan 0.000 0.453 158 D N -1.704 118.684 120.400 -0.019 0.000 2.378 158 D HA 0.213 4.853 4.640 -0.001 0.000 0.227 158 D C 1.485 177.829 176.300 0.073 0.000 1.012 158 D CA 1.184 55.220 54.000 0.061 0.000 0.905 158 D CB -0.129 40.759 40.800 0.147 0.000 0.895 158 D HN 0.882 nan 8.370 nan 0.000 0.532 159 G N -0.207 108.548 108.800 -0.075 0.000 2.234 159 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.235 159 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.235 159 G C 0.558 175.288 174.900 -0.283 0.000 0.997 159 G CA 0.477 45.514 45.100 -0.106 0.000 0.623 159 G HN 0.827 nan 8.290 nan 0.000 0.514 160 S N -0.196 115.198 115.700 -0.510 0.000 2.652 160 S HA 0.819 5.288 4.470 -0.001 0.000 0.267 160 S C -0.143 174.220 174.600 -0.394 0.000 1.201 160 S CA -0.282 57.544 58.200 -0.623 0.000 0.996 160 S CB 1.235 63.740 63.200 -1.159 0.000 1.054 160 S HN 0.569 nan 8.310 nan 0.000 0.561 161 F N -1.403 118.463 119.950 -0.141 0.000 2.593 161 F HA 0.604 5.131 4.527 -0.001 0.000 0.320 161 F C 0.302 176.157 175.800 0.090 0.000 1.060 161 F CA -1.063 56.928 58.000 -0.015 0.000 0.940 161 F CB 1.436 40.449 39.000 0.022 0.000 1.268 161 F HN 0.668 nan 8.300 nan 0.000 0.475 162 C N 0.373 119.777 119.300 0.174 0.000 2.354 162 C HA 0.709 5.168 4.460 -0.001 0.000 0.381 162 C C 1.452 176.243 174.990 -0.331 0.000 1.240 162 C CA -0.039 59.000 59.018 0.036 0.000 2.089 162 C CB 1.368 29.097 27.740 -0.020 0.000 2.234 162 C HN 0.970 nan 8.230 nan 0.000 0.544 163 A N 0.306 122.714 122.820 -0.687 0.000 1.997 163 A HA 0.392 4.712 4.320 -0.001 0.000 0.212 163 A C 0.591 177.764 177.584 -0.685 0.000 1.178 163 A CA 1.164 52.509 52.037 -1.153 0.000 0.698 163 A CB -0.170 17.890 19.000 -1.566 0.000 0.842 163 A HN 1.273 nan 8.150 nan 0.000 0.458 164 V N -4.912 114.786 119.914 -0.360 0.000 3.007 164 V HA 0.509 4.628 4.120 -0.001 0.000 0.311 164 V C -2.359 173.685 176.094 -0.084 0.000 1.120 164 V CA -1.570 60.626 62.300 -0.174 0.000 0.980 164 V CB 1.823 33.603 31.823 -0.072 0.000 1.033 164 V HN 0.063 nan 8.190 nan 0.000 0.429 165 P HA -0.107 nan 4.420 nan 0.000 0.220 165 P C 0.951 178.247 177.300 -0.006 0.000 1.148 165 P CA 1.382 64.466 63.100 -0.027 0.000 0.803 165 P CB 0.426 32.111 31.700 -0.024 0.000 0.782 166 E N -0.138 120.072 120.200 0.015 0.000 2.409 166 E HA 0.202 4.551 4.350 -0.001 0.000 0.198 166 E C 1.115 177.738 176.600 0.038 0.000 1.024 166 E CA 0.934 57.361 56.400 0.045 0.000 0.861 166 E CB -0.673 29.083 29.700 0.094 0.000 0.788 166 E HN 0.388 nan 8.360 nan 0.000 0.521 167 G N -0.590 108.221 108.800 0.017 0.000 2.640 167 G HA2 0.237 4.196 3.960 -0.001 0.000 0.686 167 G HA3 0.237 4.196 3.960 -0.001 0.000 0.686 167 G C -0.344 174.574 174.900 0.030 0.000 1.229 167 G CA -0.485 44.627 45.100 0.021 0.000 0.796 167 G HN 0.637 nan 8.290 nan 0.000 0.654 168 S N -0.451 115.274 115.700 0.041 0.000 2.660 168 S HA 0.719 5.188 4.470 -0.001 0.000 0.264 168 S C -0.458 174.210 174.600 0.113 0.000 1.131 168 S CA 0.126 58.372 58.200 0.077 0.000 0.846 168 S CB 1.341 64.577 63.200 0.060 0.000 1.151 168 S HN 2.087 nan 8.310 nan 0.000 0.486 169 E N 1.359 121.659 120.200 0.167 0.000 2.392 169 E HA 0.304 4.654 4.350 -0.001 0.000 0.256 169 E C -0.836 175.908 176.600 0.241 0.000 1.145 169 E CA -0.420 56.078 56.400 0.163 0.000 0.929 169 E CB 0.116 29.902 29.700 0.144 0.000 0.998 169 E HN 0.754 nan 8.360 nan 0.000 0.442 170 N N 0.765 119.561 118.700 0.160 0.000 2.295 170 N HA 0.369 5.108 4.740 -0.001 0.000 0.293 170 N C -1.421 174.122 175.510 0.056 0.000 1.040 170 N CA -0.550 52.601 53.050 0.168 0.000 0.840 170 N CB 2.043 40.577 38.487 0.078 0.000 1.468 170 N HN 0.619 nan 8.380 nan 0.000 0.478 171 D N 0.025 120.413 120.400 -0.019 0.000 2.792 171 D HA 0.139 4.779 4.640 -0.001 0.000 0.335 171 D C 0.659 176.933 176.300 -0.042 0.000 1.353 171 D CA -0.669 53.316 54.000 -0.025 0.000 0.839 171 D CB 0.489 41.242 40.800 -0.077 0.000 1.396 171 D HN 0.198 nan 8.370 nan 0.000 0.479 172 M N 0.102 119.757 119.600 0.093 0.000 2.195 172 M HA 0.013 4.492 4.480 -0.001 0.000 0.260 172 M C 1.823 178.130 176.300 0.011 0.000 1.066 172 M CA 1.805 57.178 55.300 0.121 0.000 1.089 172 M CB -0.384 32.282 32.600 0.110 0.000 1.377 172 M HN 0.463 nan 8.290 nan 0.000 0.411 173 R N -1.298 119.104 120.500 -0.163 0.000 2.096 173 R HA -0.176 4.163 4.340 -0.001 0.000 0.240 173 R C 2.069 178.379 176.300 0.016 0.000 1.139 173 R CA 2.082 58.082 56.100 -0.167 0.000 0.952 173 R CB -0.748 29.284 30.300 -0.448 0.000 0.854 173 R HN 0.433 nan 8.270 nan 0.000 0.436 174 F N -0.383 119.611 119.950 0.074 0.000 2.456 174 F HA -0.077 4.450 4.527 -0.001 0.000 0.298 174 F C 2.248 177.984 175.800 -0.106 0.000 1.104 174 F CA -0.139 57.864 58.000 0.006 0.000 1.435 174 F CB 0.017 39.042 39.000 0.041 0.000 1.078 174 F HN -0.167 nan 8.300 nan 0.000 0.546 175 V N -0.356 119.642 119.914 0.140 0.000 2.358 175 V HA -0.322 3.797 4.120 -0.001 0.000 0.246 175 V C 2.041 178.126 176.094 -0.016 0.000 1.047 175 V CA 1.767 64.107 62.300 0.068 0.000 1.035 175 V CB -0.724 31.218 31.823 0.198 0.000 0.658 175 V HN 0.391 nan 8.190 nan 0.000 0.452 176 Y N 0.179 120.443 120.300 -0.060 0.000 2.224 176 Y HA -0.257 4.292 4.550 -0.001 0.000 0.289 176 Y C 2.510 178.278 175.900 -0.221 0.000 1.146 176 Y CA 1.639 59.678 58.100 -0.102 0.000 1.182 176 Y CB -0.675 37.757 38.460 -0.047 0.000 0.983 176 Y HN 0.244 nan 8.280 nan 0.000 0.524 177 C N 0.289 119.417 119.300 -0.287 0.000 2.432 177 C HA -0.114 4.345 4.460 -0.001 0.000 0.277 177 C C 3.078 177.791 174.990 -0.462 0.000 1.249 177 C CA 1.216 59.961 59.018 -0.455 0.000 1.725 177 C CB -1.728 25.964 27.740 -0.080 0.000 2.028 177 C HN 0.738 nan 8.230 nan 0.000 0.477 178 A N 0.436 122.955 122.820 -0.501 0.000 1.883 178 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 178 A C 2.264 179.594 177.584 -0.424 0.000 1.186 178 A CA 2.402 54.066 52.037 -0.623 0.000 0.624 178 A CB -0.898 17.269 19.000 -1.387 0.000 0.822 178 A HN 0.558 nan 8.150 nan 0.000 0.444 179 S N -0.874 114.639 115.700 -0.312 0.000 2.359 179 S HA -0.222 4.247 4.470 -0.001 0.000 0.224 179 S C 1.956 176.385 174.600 -0.286 0.000 1.035 179 S CA 1.519 59.652 58.200 -0.111 0.000 1.018 179 S CB -0.758 62.479 63.200 0.061 0.000 0.876 179 S HN 0.718 nan 8.310 nan 0.000 0.448 180 C N 1.220 120.241 119.300 -0.464 0.000 2.425 180 C HA 0.023 4.482 4.460 -0.001 0.000 0.277 180 C C 2.441 177.316 174.990 -0.192 0.000 1.280 180 C CA 0.225 59.017 59.018 -0.377 0.000 1.744 180 C CB -1.377 25.946 27.740 -0.696 0.000 1.989 180 C HN 0.547 nan 8.230 nan 0.000 0.491 181 I N 0.000 120.422 120.570 -0.247 0.000 2.142 181 I HA -0.240 3.930 4.170 -0.001 0.000 0.240 181 I C 2.591 178.546 176.117 -0.270 0.000 1.078 181 I CA 1.472 62.666 61.300 -0.176 0.000 1.343 181 I CB -0.539 37.359 38.000 -0.170 0.000 1.046 181 I HN 0.360 nan 8.210 nan 0.000 0.405 182 C N -0.204 118.801 119.300 -0.491 0.000 2.413 182 C HA -0.234 4.226 4.460 -0.001 0.000 0.276 182 C C 2.800 177.246 174.990 -0.908 0.000 1.248 182 C CA 0.756 59.277 59.018 -0.829 0.000 1.742 182 C CB -1.039 25.869 27.740 -1.388 0.000 2.017 182 C HN 0.509 nan 8.230 nan 0.000 0.481 183 Y N 0.990 120.803 120.300 -0.812 0.000 2.145 183 Y HA -0.198 4.351 4.550 -0.001 0.000 0.286 183 Y C 2.499 178.363 175.900 -0.060 0.000 1.145 183 Y CA 1.821 59.736 58.100 -0.307 0.000 1.148 183 Y CB -0.395 38.038 38.460 -0.044 0.000 0.981 183 Y HN 0.237 nan 8.280 nan 0.000 0.507 184 M N -0.606 119.057 119.600 0.105 0.000 2.132 184 M HA -0.194 4.286 4.480 -0.001 0.000 0.263 184 M C 1.706 178.129 176.300 0.206 0.000 1.065 184 M CA 1.474 56.889 55.300 0.193 0.000 1.122 184 M CB -0.288 32.403 32.600 0.151 0.000 1.365 184 M HN 0.244 nan 8.290 nan 0.000 0.411 185 L N 0.113 121.360 121.223 0.040 0.000 2.627 185 L HA 0.018 4.358 4.340 -0.001 0.000 0.233 185 L C 0.435 177.287 176.870 -0.031 0.000 1.144 185 L CA -0.226 54.667 54.840 0.087 0.000 0.892 185 L CB -0.924 41.108 42.059 -0.045 0.000 1.039 185 L HN 0.433 nan 8.230 nan 0.000 0.442 186 N N 2.194 120.730 118.700 -0.274 0.000 2.699 186 N HA -0.273 4.466 4.740 -0.001 0.000 0.256 186 N C -0.519 174.861 175.510 -0.216 0.000 0.993 186 N CA 0.466 53.258 53.050 -0.431 0.000 0.759 186 N CB -0.884 37.095 38.487 -0.848 0.000 0.906 186 N HN 0.480 nan 8.380 nan 0.000 0.541 187 N N 0.016 118.548 118.700 -0.280 0.000 2.578 187 N HA 0.167 4.907 4.740 -0.001 0.000 0.282 187 N C -0.857 174.508 175.510 -0.241 0.000 1.119 187 N CA -0.546 52.419 53.050 -0.142 0.000 0.948 187 N CB 0.050 38.474 38.487 -0.105 0.000 1.546 187 N HN 0.267 nan 8.380 nan 0.000 0.525 188 W N 2.022 123.322 121.300 -0.001 0.000 3.400 188 W HA 0.170 4.830 4.660 -0.001 0.000 0.347 188 W C 1.820 178.354 176.519 0.025 0.000 1.218 188 W CA -0.141 57.216 57.345 0.019 0.000 1.837 188 W CB 0.110 29.587 29.460 0.028 0.000 1.067 188 W HN 0.656 nan 8.180 nan 0.000 0.701 189 S N -1.332 114.448 115.700 0.133 0.000 2.555 189 S HA -0.016 4.453 4.470 -0.001 0.000 0.230 189 S C 1.971 176.620 174.600 0.083 0.000 0.978 189 S CA 0.892 59.151 58.200 0.098 0.000 0.934 189 S CB -0.447 62.782 63.200 0.048 0.000 0.766 189 S HN 0.274 nan 8.310 nan 0.000 0.533 190 G N 1.399 110.235 108.800 0.061 0.000 2.598 190 G HA2 0.282 4.241 3.960 -0.001 0.000 0.215 190 G HA3 0.282 4.241 3.960 -0.001 0.000 0.215 190 G C 0.388 175.387 174.900 0.166 0.000 1.131 190 G CA 0.622 45.757 45.100 0.059 0.000 0.785 190 G HN 0.752 nan 8.290 nan 0.000 0.539 191 M N -2.303 117.431 119.600 0.223 0.000 2.644 191 M HA 0.486 4.965 4.480 -0.001 0.000 0.273 191 M C -2.110 174.323 176.300 0.220 0.000 1.253 191 M CA -1.040 54.446 55.300 0.310 0.000 0.852 191 M CB 2.171 35.068 32.600 0.495 0.000 1.708 191 M HN -0.178 nan 8.290 nan 0.000 0.471 192 D N 2.206 122.701 120.400 0.157 0.000 2.500 192 D HA 0.240 4.880 4.640 -0.001 0.000 0.219 192 D C 0.655 177.023 176.300 0.112 0.000 1.137 192 D CA -0.168 53.888 54.000 0.093 0.000 0.946 192 D CB 0.849 41.665 40.800 0.027 0.000 1.022 192 D HN 0.863 nan 8.370 nan 0.000 0.518 193 M N 2.639 122.315 119.600 0.127 0.000 2.143 193 M HA -0.271 4.209 4.480 -0.001 0.000 0.258 193 M C 1.999 178.324 176.300 0.041 0.000 1.071 193 M CA 1.521 56.877 55.300 0.093 0.000 1.088 193 M CB 0.179 32.788 32.600 0.016 0.000 1.360 193 M HN 0.176 nan 8.290 nan 0.000 0.404 194 K N 0.415 120.828 120.400 0.022 0.000 2.057 194 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 194 K C 1.766 178.376 176.600 0.017 0.000 1.049 194 K CA 1.964 58.252 56.287 0.002 0.000 0.931 194 K CB -0.378 32.120 32.500 -0.003 0.000 0.714 194 K HN 0.610 nan 8.250 nan 0.000 0.440 195 K N -0.473 119.944 120.400 0.029 0.000 2.097 195 K HA 0.066 4.386 4.320 -0.001 0.000 0.205 195 K C 2.400 179.048 176.600 0.079 0.000 1.050 195 K CA 1.067 57.375 56.287 0.035 0.000 0.938 195 K CB -0.303 32.198 32.500 0.002 0.000 0.718 195 K HN 0.349 nan 8.250 nan 0.000 0.442 196 A N 1.656 124.541 122.820 0.108 0.000 1.902 196 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 196 A C 2.103 179.786 177.584 0.164 0.000 1.181 196 A CA 1.246 53.394 52.037 0.186 0.000 0.623 196 A CB -0.579 18.578 19.000 0.262 0.000 0.818 196 A HN 0.160 nan 8.150 nan 0.000 0.443 197 I N -0.611 120.005 120.570 0.077 0.000 2.226 197 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 197 I C 2.846 178.959 176.117 -0.006 0.000 1.100 197 I CA 1.512 62.814 61.300 0.003 0.000 1.374 197 I CB -0.277 37.688 38.000 -0.059 0.000 1.057 197 I HN 0.437 nan 8.210 nan 0.000 0.413 198 S N 0.193 115.906 115.700 0.022 0.000 2.359 198 S HA -0.282 4.188 4.470 -0.001 0.000 0.224 198 S C 2.179 176.803 174.600 0.040 0.000 1.035 198 S CA 1.470 59.678 58.200 0.014 0.000 1.018 198 S CB -0.466 62.751 63.200 0.028 0.000 0.876 198 S HN 0.488 nan 8.310 nan 0.000 0.448 199 Y N 1.877 122.176 120.300 -0.001 0.000 2.128 199 Y HA -0.085 4.464 4.550 -0.001 0.000 0.284 199 Y C 1.952 177.863 175.900 0.018 0.000 1.154 199 Y CA 1.904 60.013 58.100 0.015 0.000 1.149 199 Y CB -0.398 38.086 38.460 0.039 0.000 0.976 199 Y HN 0.311 nan 8.280 nan 0.000 0.505 200 I N -0.291 120.340 120.570 0.102 0.000 2.226 200 I HA -0.332 3.838 4.170 -0.001 0.000 0.245 200 I C 2.544 178.654 176.117 -0.012 0.000 1.100 200 I CA 1.460 62.786 61.300 0.044 0.000 1.374 200 I CB -0.471 37.578 38.000 0.082 0.000 1.057 200 I HN 0.180 nan 8.210 nan 0.000 0.413 201 R N 0.697 121.164 120.500 -0.055 0.000 2.073 201 R HA -0.111 4.228 4.340 -0.001 0.000 0.234 201 R C 2.373 178.658 176.300 -0.024 0.000 1.134 201 R CA 1.264 57.349 56.100 -0.024 0.000 0.952 201 R CB -0.285 29.955 30.300 -0.099 0.000 0.850 201 R HN 0.292 nan 8.270 nan 0.000 0.433 202 R N 0.440 120.878 120.500 -0.103 0.000 2.293 202 R HA -0.066 4.274 4.340 -0.001 0.000 0.219 202 R C 2.043 178.230 176.300 -0.189 0.000 1.091 202 R CA 1.372 57.392 56.100 -0.135 0.000 1.004 202 R CB -0.021 30.184 30.300 -0.158 0.000 0.865 202 R HN 0.244 nan 8.270 nan 0.000 0.469 203 S N -0.549 115.013 115.700 -0.229 0.000 2.548 203 S HA 0.031 4.500 4.470 -0.001 0.000 0.215 203 S C 0.819 175.322 174.600 -0.162 0.000 0.976 203 S CA -0.363 57.697 58.200 -0.234 0.000 0.908 203 S CB 0.041 63.074 63.200 -0.278 0.000 0.781 203 S HN 0.181 nan 8.310 nan 0.000 0.519 204 M N 3.120 122.656 119.600 -0.107 0.000 2.246 204 M HA 0.257 4.737 4.480 -0.001 0.000 0.350 204 M C 0.330 176.540 176.300 -0.151 0.000 1.406 204 M CA -0.002 55.215 55.300 -0.139 0.000 1.089 204 M CB 0.826 33.388 32.600 -0.063 0.000 1.782 204 M HN 0.323 nan 8.290 nan 0.000 0.457 205 S N 3.487 119.042 115.700 -0.242 0.000 2.681 205 S HA 0.209 4.678 4.470 -0.001 0.000 0.270 205 S C 0.721 175.197 174.600 -0.208 0.000 1.209 205 S CA -0.451 57.609 58.200 -0.234 0.000 0.988 205 S CB 0.511 63.476 63.200 -0.392 0.000 1.006 205 S HN 0.751 nan 8.310 nan 0.000 0.558 206 Y N 0.668 120.931 120.300 -0.061 0.000 2.421 206 Y HA 0.074 4.623 4.550 -0.001 0.000 0.292 206 Y C 1.465 177.354 175.900 -0.017 0.000 1.136 206 Y CA 1.274 59.354 58.100 -0.033 0.000 1.255 206 Y CB -0.719 37.732 38.460 -0.016 0.000 0.991 206 Y HN 0.638 nan 8.280 nan 0.000 0.552 207 D N -1.165 118.787 120.400 -0.746 0.000 2.339 207 D HA -0.040 4.599 4.640 -0.001 0.000 0.217 207 D C 0.189 176.389 176.300 -0.167 0.000 1.050 207 D CA 0.435 54.221 54.000 -0.356 0.000 0.856 207 D CB -0.612 39.964 40.800 -0.373 0.000 0.922 207 D HN 0.419 nan 8.370 nan 0.000 0.518 208 N N -1.094 117.439 118.700 -0.278 0.000 2.965 208 N HA -0.098 4.642 4.740 -0.001 0.000 0.232 208 N C 0.688 175.888 175.510 -0.517 0.000 0.913 208 N CA 1.212 54.096 53.050 -0.277 0.000 0.981 208 N CB -1.578 36.848 38.487 -0.102 0.000 1.077 208 N HN 0.494 nan 8.380 nan 0.000 0.589 209 G N -0.114 108.074 108.800 -1.021 0.000 2.557 209 G HA2 0.602 4.562 3.960 -0.001 0.000 0.292 209 G HA3 0.602 4.562 3.960 -0.001 0.000 0.292 209 G C -0.281 174.105 174.900 -0.856 0.000 1.237 209 G CA -0.358 43.817 45.100 -1.542 0.000 0.978 209 G HN 0.033 nan 8.290 nan 0.000 0.498 210 L N 0.241 121.039 121.223 -0.709 0.000 2.317 210 L HA 0.697 5.036 4.340 -0.001 0.000 0.281 210 L C 0.775 177.457 176.870 -0.313 0.000 1.024 210 L CA -0.587 54.023 54.840 -0.383 0.000 0.810 210 L CB 1.219 43.138 42.059 -0.235 0.000 1.240 210 L HN 0.713 nan 8.230 nan 0.000 0.427 211 A N 1.952 124.642 122.820 -0.218 0.000 2.284 211 A HA 0.522 4.841 4.320 -0.001 0.000 0.317 211 A C 0.737 178.265 177.584 -0.093 0.000 1.120 211 A CA -0.337 51.615 52.037 -0.141 0.000 0.900 211 A CB 0.650 19.575 19.000 -0.125 0.000 1.319 211 A HN 0.684 nan 8.150 nan 0.000 0.494 212 Q N -0.644 119.117 119.800 -0.066 0.000 2.291 212 Q HA 0.101 4.441 4.340 -0.001 0.000 0.205 212 Q C 0.729 176.758 176.000 0.049 0.000 0.970 212 Q CA 1.347 57.134 55.803 -0.026 0.000 0.876 212 Q CB 0.003 28.706 28.738 -0.059 0.000 0.935 212 Q HN 0.902 nan 8.270 nan 0.000 0.455 213 G N -1.365 107.418 108.800 -0.029 0.000 2.576 213 G HA2 0.515 4.474 3.960 -0.001 0.000 0.290 213 G HA3 0.515 4.474 3.960 -0.001 0.000 0.290 213 G C -1.540 173.274 174.900 -0.143 0.000 1.442 213 G CA -0.387 44.665 45.100 -0.080 0.000 0.792 213 G HN 0.133 nan 8.290 nan 0.000 0.491 214 A N -0.770 121.933 122.820 -0.195 0.000 2.567 214 A HA 0.515 4.835 4.320 -0.001 0.000 0.240 214 A C 1.779 179.329 177.584 -0.056 0.000 1.053 214 A CA 1.829 53.789 52.037 -0.129 0.000 0.755 214 A CB -0.347 18.585 19.000 -0.113 0.000 0.978 214 A HN 2.853 nan 8.150 nan 0.000 0.507 215 G N 0.855 109.633 108.800 -0.037 0.000 2.304 215 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.252 215 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.252 215 G C 0.192 175.098 174.900 0.011 0.000 1.014 215 G CA 0.406 45.507 45.100 0.001 0.000 0.619 215 G HN 0.786 nan 8.290 nan 0.000 0.525 216 L N 1.311 122.525 121.223 -0.014 0.000 2.475 216 L HA 0.473 4.812 4.340 -0.001 0.000 0.253 216 L C 1.064 177.925 176.870 -0.015 0.000 1.198 216 L CA -0.559 54.276 54.840 -0.008 0.000 0.814 216 L CB 0.564 42.610 42.059 -0.022 0.000 1.134 216 L HN 0.479 nan 8.230 nan 0.000 0.478 217 E N 0.388 120.590 120.200 0.003 0.000 2.366 217 E HA 0.102 4.451 4.350 -0.001 0.000 0.266 217 E C -0.310 176.270 176.600 -0.033 0.000 1.015 217 E CA -0.402 56.001 56.400 0.006 0.000 0.906 217 E CB 0.655 30.383 29.700 0.047 0.000 0.979 217 E HN 0.632 nan 8.360 nan 0.000 0.443 218 S N 4.555 120.181 115.700 -0.122 0.000 2.568 218 S HA 0.039 4.508 4.470 -0.001 0.000 0.282 218 S C -0.177 174.400 174.600 -0.038 0.000 1.338 218 S CA -0.430 57.615 58.200 -0.257 0.000 1.045 218 S CB 0.859 63.672 63.200 -0.644 0.000 0.873 218 S HN 0.674 nan 8.310 nan 0.000 0.516 219 H N 0.543 119.499 119.070 -0.190 0.000 2.961 219 H HA 0.369 4.924 4.556 -0.001 0.000 0.371 219 H C 1.149 176.522 175.328 0.075 0.000 1.190 219 H CA -0.049 56.008 56.048 0.016 0.000 1.138 219 H CB 1.606 31.345 29.762 -0.038 0.000 1.816 219 H HN 0.720 nan 8.280 nan 0.000 0.551 220 G N 1.511 110.162 108.800 -0.249 0.000 2.442 220 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.219 220 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.219 220 G C 1.442 176.402 174.900 0.100 0.000 1.141 220 G CA 0.855 45.967 45.100 0.019 0.000 0.763 220 G HN 0.652 nan 8.290 nan 0.000 0.554 221 G N 0.900 109.787 108.800 0.145 0.000 2.404 221 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.215 221 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.215 221 G C 2.225 177.072 174.900 -0.089 0.000 1.174 221 G CA 1.821 46.797 45.100 -0.207 0.000 0.780 221 G HN 0.662 nan 8.290 nan 0.000 0.537 222 S N -0.046 115.674 115.700 0.033 0.000 2.428 222 S HA -0.071 4.398 4.470 -0.001 0.000 0.230 222 S C 2.204 176.779 174.600 -0.041 0.000 1.014 222 S CA 1.807 59.986 58.200 -0.034 0.000 0.957 222 S CB -0.573 62.600 63.200 -0.045 0.000 0.784 222 S HN 0.244 nan 8.310 nan 0.000 0.499 223 T N 1.957 116.487 114.554 -0.040 0.000 2.777 223 T HA 0.034 4.383 4.350 -0.001 0.000 0.266 223 T C 1.250 175.944 174.700 -0.010 0.000 1.040 223 T CA 1.338 63.392 62.100 -0.077 0.000 1.141 223 T CB -0.526 68.276 68.868 -0.110 0.000 0.868 223 T HN 0.502 nan 8.240 nan 0.000 0.444 224 F N 1.564 121.482 119.950 -0.053 0.000 2.075 224 F HA -0.158 4.369 4.527 -0.001 0.000 0.297 224 F C 2.413 178.153 175.800 -0.099 0.000 1.113 224 F CA 0.733 58.703 58.000 -0.051 0.000 1.218 224 F CB -0.891 38.122 39.000 0.022 0.000 0.984 224 F HN 0.151 nan 8.300 nan 0.000 0.472 225 C N 1.031 120.177 119.300 -0.258 0.000 2.413 225 C HA -0.119 4.340 4.460 -0.001 0.000 0.276 225 C C 3.099 177.997 174.990 -0.154 0.000 1.248 225 C CA 1.276 60.101 59.018 -0.321 0.000 1.742 225 C CB -1.989 25.706 27.740 -0.076 0.000 2.017 225 C HN 0.751 nan 8.230 nan 0.000 0.481 226 G N 0.625 109.377 108.800 -0.079 0.000 2.434 226 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.214 226 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.214 226 G C 1.382 176.280 174.900 -0.004 0.000 1.202 226 G CA 0.761 45.867 45.100 0.009 0.000 0.788 226 G HN 0.355 nan 8.290 nan 0.000 0.539 227 I N 2.069 122.604 120.570 -0.058 0.000 2.179 227 I HA -0.151 4.019 4.170 -0.001 0.000 0.242 227 I C 3.292 179.353 176.117 -0.095 0.000 1.088 227 I CA 1.302 62.583 61.300 -0.033 0.000 1.357 227 I CB -1.399 36.573 38.000 -0.047 0.000 1.051 227 I HN 0.263 nan 8.210 nan 0.000 0.409 228 A N 0.256 122.896 122.820 -0.300 0.000 1.933 228 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 228 A C 2.603 180.186 177.584 -0.003 0.000 1.175 228 A CA 2.099 53.987 52.037 -0.249 0.000 0.628 228 A CB -0.753 17.825 19.000 -0.705 0.000 0.814 228 A HN 0.424 nan 8.150 nan 0.000 0.444 229 S N -0.106 115.625 115.700 0.052 0.000 2.359 229 S HA -0.121 4.348 4.470 -0.001 0.000 0.224 229 S C 1.843 176.493 174.600 0.083 0.000 1.035 229 S CA 1.528 59.803 58.200 0.126 0.000 1.018 229 S CB -0.487 62.798 63.200 0.142 0.000 0.876 229 S HN 0.526 nan 8.310 nan 0.000 0.448 230 L N 0.669 121.918 121.223 0.044 0.000 2.042 230 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 230 L C 2.623 179.500 176.870 0.011 0.000 1.076 230 L CA 0.933 55.779 54.840 0.010 0.000 0.749 230 L CB -0.783 41.288 42.059 0.020 0.000 0.893 230 L HN 0.434 nan 8.230 nan 0.000 0.432 231 C N -0.550 118.770 119.300 0.033 0.000 2.432 231 C HA -0.154 4.305 4.460 -0.001 0.000 0.277 231 C C 2.658 177.690 174.990 0.069 0.000 1.249 231 C CA 0.182 59.228 59.018 0.047 0.000 1.725 231 C CB -0.755 27.015 27.740 0.050 0.000 2.028 231 C HN 0.395 nan 8.230 nan 0.000 0.477 232 L N 0.398 121.669 121.223 0.080 0.000 2.127 232 L HA -0.117 4.222 4.340 -0.001 0.000 0.211 232 L C 2.337 179.373 176.870 0.277 0.000 1.089 232 L CA 1.855 56.782 54.840 0.145 0.000 0.757 232 L CB -0.700 41.454 42.059 0.158 0.000 0.899 232 L HN 0.391 nan 8.230 nan 0.000 0.434 233 M N -1.661 117.937 119.600 -0.003 0.000 2.558 233 M HA 0.210 4.690 4.480 -0.001 0.000 0.255 233 M C 1.219 177.383 176.300 -0.227 0.000 1.113 233 M CA 0.729 55.772 55.300 -0.428 0.000 1.097 233 M CB -0.172 32.136 32.600 -0.486 0.000 1.426 233 M HN 0.308 nan 8.290 nan 0.000 0.488 234 G N 2.348 111.116 108.800 -0.052 0.000 2.298 234 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.287 234 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.287 234 G C 0.178 175.045 174.900 -0.055 0.000 1.075 234 G CA 0.237 45.327 45.100 -0.017 0.000 0.960 234 G HN 0.576 nan 8.290 nan 0.000 0.502 235 K N -0.682 119.681 120.400 -0.062 0.000 2.644 235 K HA 0.328 4.648 4.320 -0.001 0.000 0.198 235 K C 1.920 178.490 176.600 -0.051 0.000 1.113 235 K CA -0.509 55.734 56.287 -0.072 0.000 1.073 235 K CB 0.442 32.871 32.500 -0.119 0.000 0.811 235 K HN 0.316 nan 8.250 nan 0.000 0.508 236 L N 1.645 122.867 121.223 -0.003 0.000 1.971 236 L HA -0.244 4.095 4.340 -0.001 0.000 0.215 236 L C 1.909 178.814 176.870 0.059 0.000 1.072 236 L CA 1.858 56.729 54.840 0.052 0.000 0.758 236 L CB 0.001 42.109 42.059 0.081 0.000 0.889 236 L HN 0.330 nan 8.230 nan 0.000 0.433 237 E N -0.308 119.920 120.200 0.046 0.000 2.085 237 E HA -0.325 4.025 4.350 -0.001 0.000 0.194 237 E C 1.886 178.497 176.600 0.018 0.000 0.994 237 E CA 1.680 58.107 56.400 0.046 0.000 0.801 237 E CB -0.283 29.437 29.700 0.033 0.000 0.743 237 E HN 0.618 nan 8.360 nan 0.000 0.453 238 E N 0.775 120.964 120.200 -0.018 0.000 2.106 238 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 238 E C 2.075 178.623 176.600 -0.086 0.000 0.984 238 E CA 0.863 57.236 56.400 -0.045 0.000 0.806 238 E CB 0.307 29.973 29.700 -0.058 0.000 0.750 238 E HN 0.030 nan 8.360 nan 0.000 0.458 239 V N 0.259 120.083 119.914 -0.151 0.000 2.446 239 V HA -0.006 4.113 4.120 -0.001 0.000 0.244 239 V C 0.748 176.603 176.094 -0.398 0.000 1.039 239 V CA 0.998 63.099 62.300 -0.331 0.000 1.045 239 V CB -0.191 31.324 31.823 -0.513 0.000 0.681 239 V HN 0.110 nan 8.190 nan 0.000 0.459 240 F N 0.516 120.457 119.950 -0.015 0.000 2.469 240 F HA 0.476 5.002 4.527 -0.001 0.000 0.332 240 F C 0.883 176.679 175.800 -0.006 0.000 1.103 240 F CA -0.743 57.249 58.000 -0.013 0.000 0.979 240 F CB 1.578 40.569 39.000 -0.015 0.000 1.137 240 F HN -0.010 nan 8.300 nan 0.000 0.463 241 S N 1.197 117.023 115.700 0.209 0.000 2.608 241 S HA 0.044 4.513 4.470 -0.001 0.000 0.261 241 S C 1.136 175.795 174.600 0.098 0.000 1.314 241 S CA -0.384 57.884 58.200 0.112 0.000 0.992 241 S CB 1.147 64.396 63.200 0.082 0.000 0.935 241 S HN 0.878 nan 8.310 nan 0.000 0.564 242 E N 0.984 121.222 120.200 0.064 0.000 2.077 242 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 242 E C 2.330 178.951 176.600 0.036 0.000 0.989 242 E CA 1.501 57.931 56.400 0.049 0.000 0.800 242 E CB -0.649 29.074 29.700 0.037 0.000 0.746 242 E HN 0.799 nan 8.360 nan 0.000 0.452 243 K N 1.200 121.620 120.400 0.033 0.000 2.057 243 K HA -0.193 4.127 4.320 -0.001 0.000 0.207 243 K C 1.809 178.413 176.600 0.007 0.000 1.049 243 K CA 1.683 57.982 56.287 0.020 0.000 0.931 243 K CB -0.872 31.641 32.500 0.022 0.000 0.714 243 K HN 0.343 nan 8.250 nan 0.000 0.440 244 E N 0.116 120.327 120.200 0.018 0.000 2.051 244 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 244 E C 2.164 178.692 176.600 -0.121 0.000 0.991 244 E CA 1.262 57.642 56.400 -0.034 0.000 0.799 244 E CB -0.224 29.515 29.700 0.065 0.000 0.748 244 E HN 0.468 nan 8.360 nan 0.000 0.449 245 L N 0.822 122.011 121.223 -0.058 0.000 2.131 245 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 245 L C 1.978 178.825 176.870 -0.039 0.000 1.092 245 L CA 1.112 55.911 54.840 -0.068 0.000 0.759 245 L CB -0.405 41.667 42.059 0.021 0.000 0.903 245 L HN 0.191 nan 8.230 nan 0.000 0.435 246 N N -0.387 118.305 118.700 -0.013 0.000 2.142 246 N HA -0.153 4.586 4.740 -0.001 0.000 0.186 246 N C 1.915 177.425 175.510 -0.001 0.000 1.023 246 N CA 0.884 53.935 53.050 0.002 0.000 0.852 246 N CB 0.010 38.501 38.487 0.007 0.000 0.998 246 N HN 0.252 nan 8.380 nan 0.000 0.424 247 R N 0.626 121.112 120.500 -0.022 0.000 2.081 247 R HA -0.015 4.325 4.340 -0.001 0.000 0.235 247 R C 2.102 178.400 176.300 -0.002 0.000 1.131 247 R CA 0.961 57.053 56.100 -0.014 0.000 0.960 247 R CB -0.299 29.977 30.300 -0.039 0.000 0.856 247 R HN 0.273 nan 8.270 nan 0.000 0.436 248 I N 1.056 121.580 120.570 -0.076 0.000 2.226 248 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 248 I C 2.101 178.259 176.117 0.069 0.000 1.100 248 I CA 1.432 62.690 61.300 -0.070 0.000 1.374 248 I CB -0.264 37.595 38.000 -0.235 0.000 1.057 248 I HN 0.132 nan 8.210 nan 0.000 0.413 249 K N 0.440 120.868 120.400 0.046 0.000 2.063 249 K HA -0.248 4.071 4.320 -0.001 0.000 0.208 249 K C 2.254 178.918 176.600 0.107 0.000 1.048 249 K CA 1.493 57.833 56.287 0.088 0.000 0.928 249 K CB -0.239 32.305 32.500 0.073 0.000 0.713 249 K HN 0.075 nan 8.250 nan 0.000 0.442 250 R N 0.556 121.107 120.500 0.085 0.000 2.083 250 R HA -0.188 4.152 4.340 -0.001 0.000 0.237 250 R C 1.864 178.218 176.300 0.089 0.000 1.137 250 R CA 1.711 57.852 56.100 0.068 0.000 0.951 250 R CB -0.811 29.520 30.300 0.051 0.000 0.851 250 R HN 0.399 nan 8.270 nan 0.000 0.434 251 W N -0.127 121.151 121.300 -0.037 0.000 2.358 251 W HA -0.221 4.438 4.660 -0.001 0.000 0.303 251 W C 2.024 178.537 176.519 -0.010 0.000 1.208 251 W CA 1.736 59.056 57.345 -0.043 0.000 1.274 251 W CB -0.546 28.863 29.460 -0.084 0.000 1.138 251 W HN 0.163 nan 8.180 nan 0.000 0.515 252 C N -0.152 119.340 119.300 0.320 0.000 2.436 252 C HA -0.204 4.255 4.460 -0.001 0.000 0.277 252 C C 2.672 177.698 174.990 0.061 0.000 1.241 252 C CA 1.222 60.365 59.018 0.209 0.000 1.721 252 C CB -1.537 26.361 27.740 0.263 0.000 2.043 252 C HN 0.448 nan 8.230 nan 0.000 0.472 253 I N 0.546 121.166 120.570 0.084 0.000 2.700 253 I HA -0.159 4.010 4.170 -0.001 0.000 0.261 253 I C 1.990 178.084 176.117 -0.039 0.000 1.219 253 I CA 1.125 62.472 61.300 0.079 0.000 1.463 253 I CB -0.078 37.974 38.000 0.086 0.000 1.092 253 I HN 0.288 nan 8.210 nan 0.000 0.452 254 M N -0.245 119.277 119.600 -0.130 0.000 2.619 254 M HA -0.015 4.465 4.480 -0.001 0.000 0.251 254 M C 1.691 177.832 176.300 -0.266 0.000 1.106 254 M CA 0.852 56.032 55.300 -0.201 0.000 1.086 254 M CB -0.831 31.628 32.600 -0.234 0.000 1.465 254 M HN 0.163 nan 8.290 nan 0.000 0.506 255 R N 0.260 120.608 120.500 -0.254 0.000 2.236 255 R HA 0.042 4.381 4.340 -0.001 0.000 0.208 255 R C 0.883 176.902 176.300 -0.467 0.000 1.036 255 R CA 0.175 56.131 56.100 -0.239 0.000 1.001 255 R CB -0.566 29.708 30.300 -0.043 0.000 0.896 255 R HN 0.537 nan 8.270 nan 0.000 0.464 256 Q N 1.092 120.590 119.800 -0.504 0.000 2.288 256 Q HA 0.001 4.341 4.340 -0.001 0.000 0.258 256 Q C 0.205 175.848 176.000 -0.595 0.000 0.957 256 Q CA 0.039 55.320 55.803 -0.870 0.000 0.919 256 Q CB 0.909 29.116 28.738 -0.885 0.000 1.185 256 Q HN -0.018 nan 8.270 nan 0.000 0.408 257 Q N 2.600 122.049 119.800 -0.585 0.000 2.471 257 Q HA 0.112 4.452 4.340 -0.001 0.000 0.241 257 Q C 0.146 175.968 176.000 -0.298 0.000 0.886 257 Q CA 1.210 56.770 55.803 -0.406 0.000 0.953 257 Q CB 0.668 29.160 28.738 -0.410 0.000 1.108 257 Q HN 0.859 nan 8.270 nan 0.000 0.575 258 N N -1.010 117.494 118.700 -0.327 0.000 2.532 258 N HA 0.025 4.764 4.740 -0.001 0.000 0.324 258 N C 0.784 176.171 175.510 -0.206 0.000 0.609 258 N CA 0.506 53.446 53.050 -0.184 0.000 1.102 258 N CB -0.344 38.093 38.487 -0.083 0.000 2.059 258 N HN 0.099 nan 8.380 nan 0.000 1.570 259 G N -0.942 107.670 108.800 -0.313 0.000 2.695 259 G HA2 0.571 4.530 3.960 -0.001 0.000 0.213 259 G HA3 0.571 4.530 3.960 -0.001 0.000 0.213 259 G C -1.407 173.297 174.900 -0.326 0.000 1.406 259 G CA -0.247 44.718 45.100 -0.224 0.000 1.049 259 G HN 0.125 nan 8.290 nan 0.000 0.573 260 Y N -0.686 119.544 120.300 -0.118 0.000 2.462 260 Y HA 0.441 4.991 4.550 -0.001 0.000 0.346 260 Y C 0.532 176.460 175.900 0.046 0.000 0.976 260 Y CA -0.875 57.189 58.100 -0.060 0.000 1.044 260 Y CB 1.800 40.298 38.460 0.064 0.000 1.230 260 Y HN 0.734 nan 8.280 nan 0.000 0.455 261 H N -1.425 117.634 119.070 -0.020 0.000 2.615 261 H HA 0.645 5.200 4.556 -0.001 0.000 0.346 261 H C 0.397 175.353 175.328 -0.620 0.000 1.200 261 H CA -0.931 55.017 56.048 -0.167 0.000 1.264 261 H CB 2.048 31.719 29.762 -0.151 0.000 1.699 261 H HN 0.819 nan 8.280 nan 0.000 0.567 262 G N 0.166 108.333 108.800 -1.055 0.000 2.838 262 G HA2 0.143 4.102 3.960 -0.001 0.000 0.210 262 G HA3 0.143 4.102 3.960 -0.001 0.000 0.210 262 G C 0.339 174.755 174.900 -0.807 0.000 1.153 262 G CA -0.255 43.951 45.100 -1.490 0.000 0.778 262 G HN 0.550 nan 8.290 nan 0.000 0.539 263 R N -0.708 119.352 120.500 -0.733 0.000 2.680 263 R HA 0.317 4.657 4.340 -0.001 0.000 0.269 263 R C -3.148 172.639 176.300 -0.855 0.000 1.026 263 R CA -1.801 53.995 56.100 -0.507 0.000 0.889 263 R CB 1.843 32.029 30.300 -0.190 0.000 1.241 263 R HN -0.145 nan 8.270 nan 0.000 0.463 264 P HA -0.013 nan 4.420 nan 0.000 0.265 264 P C -0.695 176.460 177.300 -0.242 0.000 1.187 264 P CA 0.500 63.388 63.100 -0.353 0.000 0.766 264 P CB 0.255 31.872 31.700 -0.138 0.000 0.820 265 N N -1.035 117.611 118.700 -0.089 0.000 2.747 265 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 265 N C -0.425 175.066 175.510 -0.032 0.000 1.107 265 N CA 0.819 53.854 53.050 -0.025 0.000 0.707 265 N CB -0.638 37.838 38.487 -0.018 0.000 1.054 265 N HN 0.375 nan 8.380 nan 0.000 0.555 266 K N 0.282 120.645 120.400 -0.062 0.000 2.375 266 K HA 0.454 4.774 4.320 -0.001 0.000 0.249 266 K C -2.451 174.225 176.600 0.128 0.000 0.942 266 K CA -1.683 54.603 56.287 -0.001 0.000 0.806 266 K CB 1.799 34.252 32.500 -0.078 0.000 1.227 266 K HN -0.126 nan 8.250 nan 0.000 0.430 267 P HA -0.006 nan 4.420 nan 0.000 0.269 267 P C 0.270 177.716 177.300 0.244 0.000 1.209 267 P CA -0.393 62.778 63.100 0.117 0.000 0.776 267 P CB 0.446 32.151 31.700 0.008 0.000 0.876 268 V N -0.965 119.028 119.914 0.131 0.000 3.237 268 V HA 0.362 4.481 4.120 -0.001 0.000 0.305 268 V C 0.141 176.487 176.094 0.420 0.000 1.096 268 V CA 0.041 62.418 62.300 0.128 0.000 1.130 268 V CB 0.464 32.095 31.823 -0.319 0.000 1.048 268 V HN 0.628 nan 8.190 nan 0.000 0.484 269 D N 1.076 121.761 120.400 0.474 0.000 2.970 269 D HA 0.278 4.918 4.640 -0.001 0.000 0.230 269 D C 0.800 177.383 176.300 0.472 0.000 1.276 269 D CA -0.061 54.265 54.000 0.544 0.000 0.910 269 D CB 2.347 43.466 40.800 0.532 0.000 1.590 269 D HN 0.669 nan 8.370 nan 0.000 0.551 270 T N 1.856 116.739 114.554 0.547 0.000 2.649 270 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 270 T C 2.026 176.815 174.700 0.148 0.000 1.036 270 T CA 2.373 64.720 62.100 0.411 0.000 1.157 270 T CB -0.612 68.443 68.868 0.312 0.000 0.861 270 T HN 0.778 nan 8.240 nan 0.000 0.445 271 C N 0.422 119.731 119.300 0.014 0.000 2.409 271 C HA -0.051 4.408 4.460 -0.001 0.000 0.284 271 C C 2.211 176.968 174.990 -0.387 0.000 1.354 271 C CA -0.166 58.657 59.018 -0.325 0.000 1.787 271 C CB -2.081 25.331 27.740 -0.547 0.000 1.900 271 C HN 0.501 nan 8.230 nan 0.000 0.520 272 Y N 1.925 122.295 120.300 0.117 0.000 2.509 272 Y HA 0.018 4.567 4.550 -0.001 0.000 0.293 272 Y C 2.835 178.675 175.900 -0.100 0.000 1.133 272 Y CA 1.302 59.484 58.100 0.138 0.000 1.283 272 Y CB -0.705 37.884 38.460 0.216 0.000 1.001 272 Y HN 0.351 nan 8.280 nan 0.000 0.555 273 S N -0.391 115.312 115.700 0.005 0.000 2.419 273 S HA -0.172 4.298 4.470 -0.001 0.000 0.233 273 S C 1.691 176.080 174.600 -0.352 0.000 1.016 273 S CA 1.239 59.325 58.200 -0.190 0.000 0.974 273 S CB -0.394 62.807 63.200 0.002 0.000 0.786 273 S HN 0.545 nan 8.310 nan 0.000 0.492 274 F N 0.123 119.796 119.950 -0.462 0.000 2.315 274 F HA 0.195 4.722 4.527 -0.001 0.000 0.284 274 F C 1.634 177.117 175.800 -0.528 0.000 1.049 274 F CA 0.097 57.757 58.000 -0.567 0.000 1.323 274 F CB -0.704 37.899 39.000 -0.662 0.000 1.113 274 F HN 0.160 nan 8.300 nan 0.000 0.544 275 W N 0.492 121.449 121.300 -0.570 0.000 2.301 275 W HA -0.265 4.395 4.660 -0.001 0.000 0.325 275 W C 2.336 178.634 176.519 -0.369 0.000 1.250 275 W CA 1.610 58.605 57.345 -0.583 0.000 1.261 275 W CB -0.950 28.388 29.460 -0.203 0.000 1.157 275 W HN -0.150 nan 8.180 nan 0.000 0.473 276 V N 0.181 120.097 119.914 0.002 0.000 2.407 276 V HA -0.082 4.037 4.120 -0.001 0.000 0.245 276 V C 2.369 178.300 176.094 -0.272 0.000 1.041 276 V CA 1.886 64.154 62.300 -0.053 0.000 1.040 276 V CB -1.548 30.273 31.823 -0.003 0.000 0.671 276 V HN 0.385 nan 8.190 nan 0.000 0.455 277 G N 0.172 108.626 108.800 -0.578 0.000 2.446 277 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 277 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 277 G C 1.763 176.236 174.900 -0.711 0.000 1.168 277 G CA 1.181 45.856 45.100 -0.709 0.000 0.771 277 G HN 0.594 nan 8.290 nan 0.000 0.551 278 A N 0.167 122.536 122.820 -0.751 0.000 1.933 278 A HA -0.003 4.317 4.320 -0.001 0.000 0.218 278 A C 2.540 180.006 177.584 -0.197 0.000 1.175 278 A CA 2.446 54.124 52.037 -0.599 0.000 0.628 278 A CB -0.832 17.520 19.000 -1.081 0.000 0.814 278 A HN 0.324 nan 8.150 nan 0.000 0.444 279 T N 0.497 115.009 114.554 -0.070 0.000 2.737 279 T HA -0.073 4.277 4.350 -0.001 0.000 0.265 279 T C 1.814 176.533 174.700 0.031 0.000 1.038 279 T CA 1.411 63.540 62.100 0.048 0.000 1.144 279 T CB -0.398 68.538 68.868 0.114 0.000 0.866 279 T HN 0.360 nan 8.240 nan 0.000 0.434 280 L N 0.652 121.894 121.223 0.033 0.000 2.079 280 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 280 L C 2.641 179.589 176.870 0.130 0.000 1.081 280 L CA 1.239 56.161 54.840 0.136 0.000 0.752 280 L CB -0.423 41.806 42.059 0.283 0.000 0.896 280 L HN 0.179 nan 8.230 nan 0.000 0.433 281 K N 0.777 121.185 120.400 0.013 0.000 2.026 281 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 281 K C 1.960 178.576 176.600 0.027 0.000 1.048 281 K CA 1.502 57.798 56.287 0.015 0.000 0.929 281 K CB -0.330 32.076 32.500 -0.156 0.000 0.713 281 K HN 0.163 nan 8.250 nan 0.000 0.439 282 L N 0.364 121.594 121.223 0.012 0.000 2.191 282 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 282 L C 1.809 178.707 176.870 0.047 0.000 1.103 282 L CA 0.828 55.685 54.840 0.028 0.000 0.769 282 L CB -0.252 41.823 42.059 0.026 0.000 0.908 282 L HN 0.187 nan 8.230 nan 0.000 0.438 283 L N -0.701 120.560 121.223 0.062 0.000 2.591 283 L HA 0.020 4.359 4.340 -0.001 0.000 0.228 283 L C 0.680 177.605 176.870 0.093 0.000 1.133 283 L CA 0.072 54.957 54.840 0.076 0.000 0.880 283 L CB -0.178 41.930 42.059 0.081 0.000 1.033 283 L HN 0.187 nan 8.230 nan 0.000 0.450 284 K N 0.403 120.856 120.400 0.088 0.000 3.160 284 K HA -0.198 4.121 4.320 -0.001 0.000 0.280 284 K C 0.610 177.269 176.600 0.099 0.000 1.154 284 K CA 0.995 57.332 56.287 0.083 0.000 0.822 284 K CB -1.381 31.162 32.500 0.070 0.000 1.239 284 K HN 0.605 nan 8.250 nan 0.000 0.489 285 I N -4.342 116.318 120.570 0.150 0.000 4.160 285 I HA 0.190 4.359 4.170 -0.001 0.000 0.325 285 I C 1.222 177.448 176.117 0.181 0.000 1.455 285 I CA -0.688 60.732 61.300 0.199 0.000 1.142 285 I CB 0.096 38.298 38.000 0.337 0.000 1.262 285 I HN -0.013 nan 8.210 nan 0.000 0.483 286 F N 3.402 123.375 119.950 0.039 0.000 2.216 286 F HA -0.188 4.338 4.527 -0.001 0.000 0.300 286 F C 2.529 178.418 175.800 0.147 0.000 1.085 286 F CA 2.388 60.441 58.000 0.089 0.000 1.326 286 F CB -0.144 38.879 39.000 0.039 0.000 1.027 286 F HN 0.378 nan 8.300 nan 0.000 0.497 287 Q N -1.258 118.478 119.800 -0.107 0.000 2.248 287 Q HA -0.268 4.071 4.340 -0.001 0.000 0.208 287 Q C 1.366 177.113 176.000 -0.421 0.000 0.984 287 Q CA 2.158 57.769 55.803 -0.320 0.000 0.875 287 Q CB -1.206 27.242 28.738 -0.483 0.000 0.910 287 Q HN 0.614 nan 8.270 nan 0.000 0.433 288 Y N 2.188 122.441 120.300 -0.077 0.000 2.490 288 Y HA 0.093 4.642 4.550 -0.001 0.000 0.281 288 Y C 1.257 177.103 175.900 -0.089 0.000 1.174 288 Y CA 0.026 58.074 58.100 -0.087 0.000 1.295 288 Y CB 0.338 38.776 38.460 -0.036 0.000 1.062 288 Y HN 0.188 nan 8.280 nan 0.000 0.522 289 T N -1.663 112.892 114.554 0.001 0.000 2.788 289 T HA 0.057 4.407 4.350 -0.001 0.000 0.280 289 T C 0.094 174.813 174.700 0.031 0.000 0.984 289 T CA -0.970 61.141 62.100 0.018 0.000 0.972 289 T CB 1.132 70.003 68.868 0.006 0.000 1.039 289 T HN 0.104 nan 8.240 nan 0.000 0.530 290 N N 0.737 119.470 118.700 0.055 0.000 2.406 290 N HA 0.146 4.886 4.740 -0.001 0.000 0.251 290 N C 0.363 176.007 175.510 0.223 0.000 1.069 290 N CA -0.478 52.614 53.050 0.071 0.000 0.947 290 N CB -0.073 38.419 38.487 0.009 0.000 1.111 290 N HN 0.722 nan 8.380 nan 0.000 0.497 291 F N 1.194 121.090 119.950 -0.090 0.000 2.128 291 F HA -0.108 4.418 4.527 -0.001 0.000 0.295 291 F C 2.350 178.156 175.800 0.010 0.000 1.100 291 F CA 0.317 58.289 58.000 -0.046 0.000 1.260 291 F CB 0.196 39.160 39.000 -0.060 0.000 1.009 291 F HN 0.508 nan 8.300 nan 0.000 0.476 292 E N 1.532 121.857 120.200 0.209 0.000 2.038 292 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 292 E C 1.931 178.594 176.600 0.105 0.000 1.000 292 E CA 1.570 58.046 56.400 0.127 0.000 0.803 292 E CB -0.165 29.583 29.700 0.081 0.000 0.750 292 E HN 0.379 nan 8.360 nan 0.000 0.448 293 K N 0.359 120.811 120.400 0.086 0.000 2.097 293 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 293 K C 2.095 178.765 176.600 0.116 0.000 1.049 293 K CA 1.274 57.606 56.287 0.074 0.000 0.933 293 K CB -0.190 32.323 32.500 0.021 0.000 0.717 293 K HN 0.039 nan 8.250 nan 0.000 0.442 294 N N 1.659 120.435 118.700 0.127 0.000 2.080 294 N HA -0.185 4.555 4.740 -0.001 0.000 0.189 294 N C 1.742 177.367 175.510 0.190 0.000 1.036 294 N CA 1.445 54.611 53.050 0.193 0.000 0.846 294 N CB -0.083 38.557 38.487 0.255 0.000 1.015 294 N HN 0.067 nan 8.380 nan 0.000 0.423 295 R N 0.481 121.055 120.500 0.123 0.000 2.083 295 R HA -0.133 4.206 4.340 -0.001 0.000 0.237 295 R C 2.136 178.501 176.300 0.108 0.000 1.137 295 R CA 1.893 58.043 56.100 0.084 0.000 0.951 295 R CB -0.606 29.731 30.300 0.062 0.000 0.851 295 R HN 0.488 nan 8.270 nan 0.000 0.434 296 N N -1.035 117.737 118.700 0.118 0.000 2.069 296 N HA -0.276 4.463 4.740 -0.001 0.000 0.191 296 N C 1.885 177.466 175.510 0.117 0.000 1.031 296 N CA 1.409 54.525 53.050 0.109 0.000 0.852 296 N CB -0.232 38.316 38.487 0.101 0.000 1.018 296 N HN 0.328 nan 8.380 nan 0.000 0.423 297 Y N 1.646 121.997 120.300 0.085 0.000 2.114 297 Y HA -0.131 4.419 4.550 -0.001 0.000 0.284 297 Y C 2.130 178.114 175.900 0.139 0.000 1.143 297 Y CA 1.564 59.727 58.100 0.105 0.000 1.135 297 Y CB -0.415 38.106 38.460 0.101 0.000 0.980 297 Y HN 0.092 nan 8.280 nan 0.000 0.499 298 I N -0.031 120.599 120.570 0.100 0.000 2.118 298 I HA -0.394 3.776 4.170 -0.001 0.000 0.241 298 I C 2.375 178.558 176.117 0.110 0.000 1.070 298 I CA 1.782 63.108 61.300 0.044 0.000 1.327 298 I CB -0.645 37.357 38.000 0.004 0.000 1.034 298 I HN 0.281 nan 8.210 nan 0.000 0.405 299 L N 0.525 121.836 121.223 0.146 0.000 2.131 299 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 299 L C 2.723 179.646 176.870 0.089 0.000 1.092 299 L CA 1.506 56.482 54.840 0.226 0.000 0.759 299 L CB -0.672 41.494 42.059 0.179 0.000 0.903 299 L HN 0.404 nan 8.230 nan 0.000 0.435 300 S N -1.361 114.320 115.700 -0.032 0.000 2.507 300 S HA -0.131 4.338 4.470 -0.001 0.000 0.235 300 S C 1.710 176.252 174.600 -0.097 0.000 0.988 300 S CA 1.190 59.342 58.200 -0.081 0.000 0.944 300 S CB -0.661 62.463 63.200 -0.127 0.000 0.762 300 S HN 0.570 nan 8.310 nan 0.000 0.526 301 T N -1.772 112.729 114.554 -0.087 0.000 3.105 301 T HA 0.243 4.593 4.350 -0.001 0.000 0.253 301 T C 0.353 175.060 174.700 0.012 0.000 1.047 301 T CA -0.520 61.569 62.100 -0.019 0.000 0.944 301 T CB -0.239 68.631 68.868 0.003 0.000 1.016 301 T HN 0.478 nan 8.240 nan 0.000 0.544 302 Q N 1.746 121.506 119.800 -0.067 0.000 2.313 302 Q HA 0.077 4.417 4.340 -0.001 0.000 0.266 302 Q C -0.797 175.042 176.000 -0.269 0.000 0.989 302 Q CA -0.246 55.309 55.803 -0.414 0.000 0.890 302 Q CB 0.551 29.080 28.738 -0.348 0.000 1.200 302 Q HN 0.305 nan 8.270 nan 0.000 0.396 303 D N 4.080 124.294 120.400 -0.311 0.000 2.411 303 D HA 0.078 4.718 4.640 -0.001 0.000 0.225 303 D C 0.406 176.581 176.300 -0.208 0.000 1.156 303 D CA -0.029 53.861 54.000 -0.183 0.000 0.874 303 D CB 0.563 41.281 40.800 -0.136 0.000 1.034 303 D HN 0.595 nan 8.370 nan 0.000 0.502 304 R N 2.514 122.916 120.500 -0.164 0.000 2.237 304 R HA -0.062 4.277 4.340 -0.001 0.000 0.219 304 R C 1.600 177.811 176.300 -0.149 0.000 1.080 304 R CA 0.243 56.240 56.100 -0.171 0.000 0.995 304 R CB 0.367 30.595 30.300 -0.119 0.000 0.875 304 R HN 0.463 nan 8.270 nan 0.000 0.462 305 L N 0.182 121.339 121.223 -0.110 0.000 2.121 305 L HA -0.011 4.328 4.340 -0.001 0.000 0.200 305 L C 2.061 178.880 176.870 -0.084 0.000 1.077 305 L CA 1.491 56.280 54.840 -0.084 0.000 0.766 305 L CB -0.486 41.542 42.059 -0.051 0.000 0.931 305 L HN 0.076 nan 8.230 nan 0.000 0.452 306 V N -0.980 118.897 119.914 -0.061 0.000 3.471 306 V HA 0.443 4.563 4.120 -0.001 0.000 0.258 306 V C 0.833 176.948 176.094 0.035 0.000 1.192 306 V CA 0.736 63.031 62.300 -0.007 0.000 1.116 306 V CB -0.085 31.762 31.823 0.040 0.000 0.792 306 V HN 0.649 nan 8.190 nan 0.000 0.459 307 G N -0.760 107.972 108.800 -0.113 0.000 2.655 307 G HA2 0.408 4.368 3.960 -0.001 0.000 0.680 307 G HA3 0.408 4.368 3.960 -0.001 0.000 0.680 307 G C 0.569 175.216 174.900 -0.422 0.000 1.302 307 G CA -0.284 44.667 45.100 -0.248 0.000 0.872 307 G HN 2.371 nan 8.290 nan 0.000 0.540 308 G N -2.010 106.456 108.800 -0.557 0.000 2.855 308 G HA2 0.346 4.305 3.960 -0.001 0.000 0.352 308 G HA3 0.346 4.305 3.960 -0.001 0.000 0.352 308 G C -0.371 174.076 174.900 -0.754 0.000 1.415 308 G CA 0.344 44.777 45.100 -1.110 0.000 0.871 308 G HN 1.802 nan 8.290 nan 0.000 0.543 309 F N -0.011 119.695 119.950 -0.407 0.000 2.598 309 F HA 0.846 5.373 4.527 -0.001 0.000 0.327 309 F C 0.865 176.598 175.800 -0.111 0.000 1.057 309 F CA 0.063 57.953 58.000 -0.184 0.000 0.957 309 F CB 2.047 40.963 39.000 -0.140 0.000 1.278 309 F HN 0.998 nan 8.300 nan 0.000 0.484 310 A N 0.968 123.840 122.820 0.087 0.000 2.347 310 A HA 0.547 4.867 4.320 -0.001 0.000 0.301 310 A C 0.756 178.224 177.584 -0.194 0.000 1.163 310 A CA -0.569 51.409 52.037 -0.098 0.000 0.860 310 A CB 1.352 20.319 19.000 -0.054 0.000 1.367 310 A HN 0.874 nan 8.150 nan 0.000 0.461 311 K N -1.061 118.993 120.400 -0.578 0.000 2.103 311 K HA 0.002 4.322 4.320 -0.001 0.000 0.204 311 K C -0.400 176.165 176.600 -0.058 0.000 1.052 311 K CA 0.679 56.691 56.287 -0.459 0.000 0.945 311 K CB 0.013 31.988 32.500 -0.876 0.000 0.722 311 K HN 0.579 nan 8.250 nan 0.000 0.443 312 W N 1.616 122.968 121.300 0.086 0.000 2.902 312 W HA 0.404 5.063 4.660 -0.001 0.000 0.346 312 W C -2.626 173.910 176.519 0.028 0.000 1.139 312 W CA -3.106 54.321 57.345 0.137 0.000 1.139 312 W CB 0.090 29.632 29.460 0.137 0.000 1.439 312 W HN -0.195 nan 8.180 nan 0.000 0.558 313 P HA -0.004 nan 4.420 nan 0.000 0.269 313 P C 0.001 177.374 177.300 0.122 0.000 1.209 313 P CA 0.573 63.732 63.100 0.098 0.000 0.776 313 P CB 0.621 32.348 31.700 0.045 0.000 0.876 314 D N -1.872 118.573 120.400 0.075 0.000 2.723 314 D HA -0.126 4.513 4.640 -0.001 0.000 0.236 314 D C 0.207 176.561 176.300 0.090 0.000 1.138 314 D CA 1.470 55.513 54.000 0.072 0.000 0.676 314 D CB -1.717 39.118 40.800 0.059 0.000 1.069 314 D HN 0.644 nan 8.370 nan 0.000 0.430 315 S N -2.077 113.682 115.700 0.100 0.000 2.599 315 S HA 0.510 4.979 4.470 -0.001 0.000 0.294 315 S C -0.632 174.039 174.600 0.118 0.000 1.094 315 S CA -0.696 57.549 58.200 0.075 0.000 0.931 315 S CB 1.444 64.704 63.200 0.100 0.000 1.093 315 S HN 0.481 nan 8.310 nan 0.000 0.488 316 H N 2.690 121.773 119.070 0.022 0.000 2.803 316 H HA 0.249 4.804 4.556 -0.001 0.000 0.330 316 H C -1.884 173.458 175.328 0.023 0.000 1.057 316 H CA -1.451 54.619 56.048 0.037 0.000 1.458 316 H CB 0.633 30.434 29.762 0.065 0.000 1.470 316 H HN 0.426 nan 8.280 nan 0.000 0.560 317 P HA 0.056 nan 4.420 nan 0.000 0.276 317 P C -1.037 176.413 177.300 0.249 0.000 1.244 317 P CA -0.359 62.803 63.100 0.103 0.000 0.801 317 P CB 1.474 33.164 31.700 -0.015 0.000 1.006 318 D N -1.109 119.454 120.400 0.272 0.000 2.596 318 D HA 0.443 5.083 4.640 -0.001 0.000 0.262 318 D C 0.862 177.423 176.300 0.435 0.000 1.210 318 D CA -0.960 53.294 54.000 0.423 0.000 0.873 318 D CB 0.336 41.363 40.800 0.378 0.000 1.408 318 D HN 0.178 nan 8.370 nan 0.000 0.441 319 A N 0.293 123.416 122.820 0.504 0.000 1.908 319 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 319 A C 2.017 179.685 177.584 0.139 0.000 1.181 319 A CA 1.760 54.104 52.037 0.513 0.000 0.627 319 A CB -1.047 18.282 19.000 0.549 0.000 0.818 319 A HN 0.649 nan 8.150 nan 0.000 0.445 320 L N -1.407 119.813 121.223 -0.005 0.000 1.989 320 L HA -0.246 4.093 4.340 -0.001 0.000 0.211 320 L C 2.517 179.200 176.870 -0.312 0.000 1.071 320 L CA 2.410 56.936 54.840 -0.522 0.000 0.749 320 L CB -0.404 41.605 42.059 -0.083 0.000 0.890 320 L HN 0.561 nan 8.230 nan 0.000 0.431 321 H N -0.660 118.396 119.070 -0.024 0.000 2.428 321 H HA 0.007 4.562 4.556 -0.001 0.000 0.296 321 H C 2.160 177.454 175.328 -0.057 0.000 1.062 321 H CA 1.116 57.157 56.048 -0.013 0.000 1.350 321 H CB -0.219 29.560 29.762 0.029 0.000 1.403 321 H HN 0.524 nan 8.280 nan 0.000 0.533 322 A N 0.336 123.205 122.820 0.080 0.000 1.877 322 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 322 A C 2.110 179.719 177.584 0.042 0.000 1.186 322 A CA 1.649 53.724 52.037 0.063 0.000 0.620 322 A CB -0.961 17.922 19.000 -0.196 0.000 0.822 322 A HN 0.527 nan 8.150 nan 0.000 0.443 323 Y N -0.614 119.589 120.300 -0.161 0.000 2.163 323 Y HA -0.154 4.396 4.550 -0.001 0.000 0.288 323 Y C 1.920 177.420 175.900 -0.666 0.000 1.136 323 Y CA 1.669 59.509 58.100 -0.434 0.000 1.147 323 Y CB -0.548 37.410 38.460 -0.837 0.000 0.987 323 Y HN 0.281 nan 8.280 nan 0.000 0.509 324 F N -0.392 119.156 119.950 -0.670 0.000 2.325 324 F HA 0.005 4.531 4.527 -0.001 0.000 0.299 324 F C 2.541 177.942 175.800 -0.665 0.000 1.090 324 F CA 0.797 58.291 58.000 -0.843 0.000 1.392 324 F CB -0.650 37.863 39.000 -0.812 0.000 1.053 324 F HN 0.137 nan 8.300 nan 0.000 0.521 325 G N 0.385 108.904 108.800 -0.467 0.000 2.402 325 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.216 325 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.216 325 G C 1.695 176.123 174.900 -0.787 0.000 1.162 325 G CA 0.675 45.359 45.100 -0.694 0.000 0.777 325 G HN 0.324 nan 8.290 nan 0.000 0.539 326 I N 0.265 120.405 120.570 -0.716 0.000 2.252 326 I HA -0.169 4.001 4.170 -0.001 0.000 0.245 326 I C 2.665 178.491 176.117 -0.485 0.000 1.102 326 I CA 0.544 61.538 61.300 -0.510 0.000 1.385 326 I CB -0.133 37.730 38.000 -0.228 0.000 1.064 326 I HN 0.185 nan 8.210 nan 0.000 0.414 327 C N 0.698 119.624 119.300 -0.623 0.000 2.435 327 C HA -0.059 4.401 4.460 -0.001 0.000 0.279 327 C C 2.903 177.723 174.990 -0.284 0.000 1.321 327 C CA 0.902 59.595 59.018 -0.543 0.000 1.752 327 C CB -1.660 25.505 27.740 -0.957 0.000 1.959 327 C HN 0.663 nan 8.230 nan 0.000 0.500 328 G N 0.359 108.982 108.800 -0.294 0.000 2.421 328 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.216 328 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.216 328 G C 1.413 176.164 174.900 -0.248 0.000 1.171 328 G CA 0.577 45.539 45.100 -0.229 0.000 0.775 328 G HN 0.338 nan 8.290 nan 0.000 0.543 329 L N 1.273 122.311 121.223 -0.307 0.000 2.046 329 L HA -0.024 4.316 4.340 -0.001 0.000 0.208 329 L C 3.075 179.791 176.870 -0.256 0.000 1.077 329 L CA 1.927 56.588 54.840 -0.299 0.000 0.747 329 L CB -1.045 40.755 42.059 -0.433 0.000 0.896 329 L HN 0.339 nan 8.230 nan 0.000 0.432 330 S N -0.923 114.624 115.700 -0.255 0.000 2.383 330 S HA -0.163 4.306 4.470 -0.001 0.000 0.229 330 S C 2.002 176.517 174.600 -0.141 0.000 1.030 330 S CA 0.785 58.876 58.200 -0.183 0.000 1.002 330 S CB -0.168 62.928 63.200 -0.173 0.000 0.829 330 S HN 0.256 nan 8.310 nan 0.000 0.467 331 L N 1.024 122.133 121.223 -0.189 0.000 2.187 331 L HA 0.118 4.457 4.340 -0.001 0.000 0.213 331 L C 2.124 178.954 176.870 -0.067 0.000 1.100 331 L CA 1.719 56.415 54.840 -0.240 0.000 0.765 331 L CB -0.889 40.816 42.059 -0.590 0.000 0.904 331 L HN 0.495 nan 8.230 nan 0.000 0.437 332 M N -1.645 117.882 119.600 -0.122 0.000 2.371 332 M HA 0.125 4.604 4.480 -0.001 0.000 0.246 332 M C -0.518 175.780 176.300 -0.003 0.000 1.103 332 M CA -0.008 55.158 55.300 -0.224 0.000 1.010 332 M CB 0.428 32.682 32.600 -0.578 0.000 1.457 332 M HN 0.063 nan 8.290 nan 0.000 0.486 333 E N 1.454 121.636 120.200 -0.031 0.000 7.553 333 E HA -0.148 4.201 4.350 -0.001 0.000 0.436 333 E C -0.505 176.070 176.600 -0.042 0.000 0.418 333 E CA 0.271 56.662 56.400 -0.014 0.000 0.779 333 E CB -0.306 29.422 29.700 0.048 0.000 0.959 333 E HN 0.250 nan 8.360 nan 0.000 0.263 334 E N 1.687 121.837 120.200 -0.084 0.000 2.290 334 E HA 0.337 4.686 4.350 -0.001 0.000 0.274 334 E C -1.350 175.208 176.600 -0.070 0.000 0.889 334 E CA -0.508 55.823 56.400 -0.115 0.000 0.760 334 E CB 1.803 31.332 29.700 -0.285 0.000 1.206 334 E HN 0.297 nan 8.360 nan 0.000 0.419 335 S N 2.548 118.243 115.700 -0.008 0.000 2.575 335 S HA 0.385 4.854 4.470 -0.001 0.000 0.295 335 S C 1.135 175.785 174.600 0.083 0.000 1.267 335 S CA 1.196 59.420 58.200 0.040 0.000 1.074 335 S CB 0.417 63.655 63.200 0.064 0.000 0.829 335 S HN 0.991 nan 8.310 nan 0.000 0.497 336 G N 2.699 111.553 108.800 0.090 0.000 2.194 336 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.236 336 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.236 336 G C 0.000 174.989 174.900 0.148 0.000 0.987 336 G CA -0.171 45.020 45.100 0.152 0.000 0.635 336 G HN 0.632 nan 8.290 nan 0.000 0.520 337 I N 0.814 121.414 120.570 0.050 0.000 2.569 337 I HA 0.432 4.601 4.170 -0.001 0.000 0.296 337 I C 0.823 176.934 176.117 -0.011 0.000 1.028 337 I CA -1.154 60.149 61.300 0.005 0.000 1.082 337 I CB 1.871 39.791 38.000 -0.133 0.000 1.264 337 I HN 0.113 nan 8.210 nan 0.000 0.429 338 C N 3.348 122.645 119.300 -0.005 0.000 2.480 338 C HA 0.208 4.668 4.460 -0.001 0.000 0.358 338 C C 0.700 175.678 174.990 -0.020 0.000 1.309 338 C CA -0.645 58.371 59.018 -0.003 0.000 2.465 338 C CB 0.641 28.386 27.740 0.008 0.000 2.379 338 C HN 0.693 nan 8.230 nan 0.000 0.642 339 K N 1.136 121.535 120.400 -0.002 0.000 2.349 339 K HA 0.373 4.693 4.320 -0.001 0.000 0.288 339 K C -0.557 176.055 176.600 0.019 0.000 1.058 339 K CA -0.112 56.175 56.287 0.001 0.000 0.953 339 K CB 0.517 33.026 32.500 0.014 0.000 0.997 339 K HN 0.566 nan 8.250 nan 0.000 0.477 340 V N 5.613 125.533 119.914 0.011 0.000 2.546 340 V HA 0.086 4.205 4.120 -0.001 0.000 0.284 340 V C -0.407 175.775 176.094 0.147 0.000 1.050 340 V CA -0.595 61.742 62.300 0.061 0.000 0.981 340 V CB 1.047 32.873 31.823 0.005 0.000 0.990 340 V HN 0.856 nan 8.190 nan 0.000 0.474 341 H N 9.440 128.569 119.070 0.098 0.000 2.934 341 H HA 0.324 4.879 4.556 -0.001 0.000 0.273 341 H C -1.750 173.699 175.328 0.203 0.000 1.121 341 H CA -1.887 54.235 56.048 0.123 0.000 1.451 341 H CB 1.572 31.406 29.762 0.120 0.000 1.469 341 H HN 0.550 nan 8.280 nan 0.000 0.476 342 P HA -0.224 nan 4.420 nan 0.000 0.215 342 P C 1.092 178.725 177.300 0.555 0.000 1.163 342 P CA 2.105 65.419 63.100 0.357 0.000 0.894 342 P CB 0.192 31.953 31.700 0.101 0.000 0.791 343 A N -0.809 122.333 122.820 0.537 0.000 1.898 343 A HA -0.059 4.260 4.320 -0.001 0.000 0.214 343 A C 2.242 180.098 177.584 0.454 0.000 1.183 343 A CA 1.076 53.372 52.037 0.431 0.000 0.622 343 A CB -1.439 17.720 19.000 0.266 0.000 0.824 343 A HN 0.162 nan 8.150 nan 0.000 0.444 344 L N -0.647 120.698 121.223 0.202 0.000 2.395 344 L HA 0.081 4.421 4.340 -0.001 0.000 0.218 344 L C 0.757 177.841 176.870 0.357 0.000 1.130 344 L CA 1.350 56.209 54.840 0.033 0.000 0.826 344 L CB -0.715 41.056 42.059 -0.481 0.000 0.941 344 L HN 0.622 nan 8.230 nan 0.000 0.451 345 N N -0.700 118.293 118.700 0.488 0.000 2.783 345 N HA -0.170 4.569 4.740 -0.001 0.000 0.247 345 N C -0.737 175.021 175.510 0.414 0.000 1.089 345 N CA 0.924 54.283 53.050 0.515 0.000 0.690 345 N CB -1.337 37.579 38.487 0.714 0.000 0.991 345 N HN 0.263 nan 8.380 nan 0.000 0.552 346 V N -3.400 116.677 119.914 0.272 0.000 3.181 346 V HA 0.866 4.986 4.120 -0.001 0.000 0.308 346 V C 0.625 176.802 176.094 0.138 0.000 1.214 346 V CA -0.401 62.013 62.300 0.189 0.000 1.053 346 V CB 1.436 33.348 31.823 0.147 0.000 1.069 346 V HN 0.500 nan 8.190 nan 0.000 0.441 347 S N 0.104 115.851 115.700 0.079 0.000 2.593 347 S HA 0.204 4.674 4.470 -0.001 0.000 0.269 347 S C 1.333 175.993 174.600 0.100 0.000 1.334 347 S CA 0.395 58.635 58.200 0.068 0.000 1.015 347 S CB 0.940 64.155 63.200 0.026 0.000 0.912 347 S HN 1.742 nan 8.310 nan 0.000 0.541 348 T N -0.210 114.407 114.554 0.105 0.000 2.833 348 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 348 T C 1.780 176.526 174.700 0.076 0.000 1.054 348 T CA 1.128 63.299 62.100 0.118 0.000 1.135 348 T CB -0.494 68.424 68.868 0.082 0.000 0.869 348 T HN 0.724 nan 8.240 nan 0.000 0.466 349 R N 1.152 121.680 120.500 0.048 0.000 2.096 349 R HA -0.145 4.195 4.340 -0.001 0.000 0.240 349 R C 2.337 178.650 176.300 0.021 0.000 1.139 349 R CA 2.130 58.246 56.100 0.028 0.000 0.952 349 R CB -0.930 29.380 30.300 0.018 0.000 0.854 349 R HN 0.444 nan 8.270 nan 0.000 0.436 350 T N 0.342 114.910 114.554 0.024 0.000 2.777 350 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 350 T C 1.879 176.584 174.700 0.009 0.000 1.040 350 T CA 1.591 63.697 62.100 0.010 0.000 1.141 350 T CB -0.240 68.636 68.868 0.015 0.000 0.868 350 T HN 0.535 nan 8.240 nan 0.000 0.444 351 S N 1.684 117.415 115.700 0.051 0.000 2.419 351 S HA -0.116 4.354 4.470 -0.001 0.000 0.233 351 S C 1.835 176.457 174.600 0.037 0.000 1.016 351 S CA 1.077 59.318 58.200 0.069 0.000 0.974 351 S CB -0.364 62.966 63.200 0.216 0.000 0.786 351 S HN 0.564 nan 8.310 nan 0.000 0.492 352 E N 0.545 120.763 120.200 0.029 0.000 2.122 352 E HA 0.074 4.424 4.350 -0.001 0.000 0.190 352 E C 2.344 178.909 176.600 -0.058 0.000 0.977 352 E CA 0.119 56.517 56.400 -0.003 0.000 0.820 352 E CB -0.068 29.642 29.700 0.015 0.000 0.770 352 E HN 0.211 nan 8.360 nan 0.000 0.462 353 R N 1.146 121.613 120.500 -0.055 0.000 2.091 353 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 353 R C 2.237 178.443 176.300 -0.157 0.000 1.136 353 R CA 1.022 57.075 56.100 -0.078 0.000 0.959 353 R CB -0.623 29.647 30.300 -0.050 0.000 0.856 353 R HN 0.232 nan 8.270 nan 0.000 0.437 354 L N 0.875 121.982 121.223 -0.193 0.000 2.141 354 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 354 L C 2.682 179.179 176.870 -0.621 0.000 1.094 354 L CA 1.836 56.444 54.840 -0.386 0.000 0.763 354 L CB -0.599 41.274 42.059 -0.310 0.000 0.908 354 L HN -0.054 nan 8.230 nan 0.000 0.437 355 R N -0.352 119.931 120.500 -0.362 0.000 2.073 355 R HA -0.137 4.202 4.340 -0.001 0.000 0.234 355 R C 2.003 178.166 176.300 -0.230 0.000 1.134 355 R CA 1.800 57.734 56.100 -0.276 0.000 0.952 355 R CB -1.228 29.017 30.300 -0.093 0.000 0.850 355 R HN 0.657 nan 8.270 nan 0.000 0.433 356 D N 0.431 120.718 120.400 -0.189 0.000 2.097 356 D HA -0.119 4.521 4.640 -0.001 0.000 0.195 356 D C 2.112 178.274 176.300 -0.229 0.000 0.989 356 D CA 1.598 55.508 54.000 -0.149 0.000 0.827 356 D CB -0.445 40.292 40.800 -0.105 0.000 0.966 356 D HN 0.297 nan 8.370 nan 0.000 0.456 357 L N 0.394 121.408 121.223 -0.349 0.000 2.013 357 L HA -0.247 4.093 4.340 -0.001 0.000 0.212 357 L C 2.432 178.775 176.870 -0.879 0.000 1.073 357 L CA 1.549 56.045 54.840 -0.574 0.000 0.753 357 L CB -0.306 41.390 42.059 -0.605 0.000 0.890 357 L HN 0.237 nan 8.230 nan 0.000 0.432 358 H N -1.815 116.801 119.070 -0.756 0.000 2.389 358 H HA -0.180 4.376 4.556 -0.001 0.000 0.299 358 H C 2.461 177.634 175.328 -0.257 0.000 1.081 358 H CA 0.884 56.587 56.048 -0.575 0.000 1.345 358 H CB 0.090 29.656 29.762 -0.327 0.000 1.393 358 H HN 0.507 nan 8.280 nan 0.000 0.520 359 Q N 1.270 121.026 119.800 -0.075 0.000 2.030 359 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 359 Q C 2.538 178.543 176.000 0.009 0.000 0.986 359 Q CA 2.093 57.886 55.803 -0.017 0.000 0.843 359 Q CB -1.174 27.546 28.738 -0.029 0.000 0.904 359 Q HN 0.646 nan 8.270 nan 0.000 0.420 360 S N -0.642 115.040 115.700 -0.029 0.000 2.353 360 S HA -0.212 4.258 4.470 -0.001 0.000 0.222 360 S C 1.835 176.551 174.600 0.193 0.000 1.035 360 S CA 1.586 59.819 58.200 0.056 0.000 1.025 360 S CB -0.899 62.329 63.200 0.047 0.000 0.902 360 S HN 0.786 nan 8.310 nan 0.000 0.440 361 W N 2.747 124.071 121.300 0.040 0.000 2.308 361 W HA 0.011 4.670 4.660 -0.001 0.000 0.301 361 W C 2.314 178.839 176.519 0.011 0.000 1.220 361 W CA 1.060 58.419 57.345 0.022 0.000 1.240 361 W CB -1.362 28.107 29.460 0.016 0.000 1.142 361 W HN 0.579 nan 8.180 nan 0.000 0.521 362 K N 1.308 121.851 120.400 0.239 0.000 3.000 362 K HA 0.337 4.656 4.320 -0.001 0.000 0.265 362 K C 0.360 177.018 176.600 0.097 0.000 1.260 362 K CA 0.931 57.301 56.287 0.138 0.000 1.209 362 K CB -1.317 31.244 32.500 0.102 0.000 1.484 362 K HN 0.275 nan 8.250 nan 0.000 0.283 363 T N 0.000 114.613 114.554 0.098 0.000 3.816 363 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 363 T CA 0.000 62.141 62.100 0.069 0.000 1.349 363 T CB 0.000 68.909 68.868 0.068 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658