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 1n4p_1_F DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.918 176.870 0.081 0.000 1.165 18 L CA 0.000 54.873 54.840 0.056 0.000 0.813 18 L CB 0.000 42.081 42.059 0.036 0.000 0.961 19 D N -0.037 120.413 120.400 0.083 0.000 2.449 19 D HA 0.429 5.069 4.640 -0.000 0.000 0.250 19 D C -1.133 175.287 176.300 0.199 0.000 1.050 19 D CA -0.339 53.733 54.000 0.121 0.000 1.024 19 D CB 1.938 42.781 40.800 0.072 0.000 1.218 19 D HN 0.121 nan 8.370 nan 0.000 0.566 20 F N 0.594 120.581 119.950 0.062 0.000 2.332 20 F HA 0.303 4.830 4.527 -0.000 0.000 0.368 20 F C -0.654 175.184 175.800 0.062 0.000 1.110 20 F CA -1.302 56.767 58.000 0.115 0.000 1.087 20 F CB 0.670 39.756 39.000 0.144 0.000 1.235 20 F HN 0.084 nan 8.300 nan 0.000 0.470 21 L N 7.610 128.569 121.223 -0.441 0.000 2.544 21 L HA 0.146 4.486 4.340 -0.000 0.000 0.240 21 L C 2.029 178.405 176.870 -0.824 0.000 1.421 21 L CA 0.541 55.034 54.840 -0.578 0.000 1.206 21 L CB -1.419 40.276 42.059 -0.606 0.000 1.463 21 L HN 0.716 nan 8.230 nan 0.000 0.437 22 R N 0.545 120.610 120.500 -0.724 0.000 2.133 22 R HA -0.223 4.117 4.340 -0.000 0.000 0.245 22 R C 1.254 177.415 176.300 -0.232 0.000 1.137 22 R CA 2.256 58.078 56.100 -0.464 0.000 0.947 22 R CB 0.096 30.376 30.300 -0.032 0.000 0.865 22 R HN 0.500 nan 8.270 nan 0.000 0.437 23 D N -0.348 119.938 120.400 -0.189 0.000 2.144 23 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 23 D C 2.074 178.271 176.300 -0.172 0.000 0.984 23 D CA 1.091 55.016 54.000 -0.124 0.000 0.834 23 D CB -0.201 40.540 40.800 -0.099 0.000 0.955 23 D HN 0.204 nan 8.370 nan 0.000 0.465 24 R N 0.109 120.419 120.500 -0.317 0.000 2.081 24 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 24 R C 2.237 178.345 176.300 -0.321 0.000 1.131 24 R CA 1.129 57.019 56.100 -0.350 0.000 0.960 24 R CB -0.210 29.787 30.300 -0.506 0.000 0.856 24 R HN 0.311 nan 8.270 nan 0.000 0.436 25 H N -0.925 117.991 119.070 -0.257 0.000 2.423 25 H HA -0.023 4.533 4.556 -0.000 0.000 0.297 25 H C 2.022 177.288 175.328 -0.103 0.000 1.075 25 H CA 1.436 57.317 56.048 -0.278 0.000 1.342 25 H CB -0.175 29.421 29.762 -0.276 0.000 1.395 25 H HN 0.063 nan 8.280 nan 0.000 0.530 26 V N 1.167 121.144 119.914 0.105 0.000 2.358 26 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 26 V C 2.567 178.733 176.094 0.120 0.000 1.047 26 V CA 1.540 63.948 62.300 0.179 0.000 1.035 26 V CB -0.322 31.565 31.823 0.107 0.000 0.658 26 V HN 0.316 nan 8.190 nan 0.000 0.452 27 R N -0.954 119.565 120.500 0.032 0.000 2.081 27 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 27 R C 2.267 178.563 176.300 -0.007 0.000 1.131 27 R CA 1.943 58.042 56.100 -0.001 0.000 0.960 27 R CB -0.584 29.692 30.300 -0.039 0.000 0.856 27 R HN 0.521 nan 8.270 nan 0.000 0.436 28 F N 0.892 120.743 119.950 -0.165 0.000 2.065 28 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 28 F C 1.814 177.513 175.800 -0.168 0.000 1.112 28 F CA 1.672 59.538 58.000 -0.224 0.000 1.212 28 F CB -0.376 38.412 39.000 -0.353 0.000 0.975 28 F HN -0.093 nan 8.300 nan 0.000 0.476 29 F N 0.397 120.452 119.950 0.175 0.000 2.216 29 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 29 F C 2.530 178.276 175.800 -0.091 0.000 1.085 29 F CA 1.176 59.204 58.000 0.046 0.000 1.326 29 F CB -0.592 38.468 39.000 0.099 0.000 1.027 29 F HN 0.058 nan 8.300 nan 0.000 0.497 30 Q N 0.139 119.994 119.800 0.092 0.000 2.084 30 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 30 Q C 2.218 178.165 176.000 -0.089 0.000 0.978 30 Q CA 1.459 57.260 55.803 -0.003 0.000 0.844 30 Q CB -0.339 28.392 28.738 -0.012 0.000 0.898 30 Q HN 0.397 nan 8.270 nan 0.000 0.426 31 R N -0.136 120.268 120.500 -0.160 0.000 2.120 31 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 31 R C 2.398 178.541 176.300 -0.261 0.000 1.123 31 R CA 1.207 57.173 56.100 -0.224 0.000 0.975 31 R CB -0.284 29.842 30.300 -0.291 0.000 0.866 31 R HN 0.277 nan 8.270 nan 0.000 0.446 32 C N 0.117 119.245 119.300 -0.286 0.000 2.422 32 C HA -0.018 4.442 4.460 -0.000 0.000 0.279 32 C C 1.949 176.838 174.990 -0.169 0.000 1.305 32 C CA 0.336 59.211 59.018 -0.239 0.000 1.757 32 C CB -0.620 27.050 27.740 -0.117 0.000 1.962 32 C HN 0.388 nan 8.230 nan 0.000 0.499 33 L N 0.591 121.728 121.223 -0.142 0.000 2.554 33 L HA 0.043 4.383 4.340 -0.000 0.000 0.226 33 L C 1.973 178.726 176.870 -0.196 0.000 1.137 33 L CA 1.348 56.086 54.840 -0.170 0.000 0.863 33 L CB -1.424 40.551 42.059 -0.141 0.000 0.985 33 L HN 0.571 nan 8.230 nan 0.000 0.451 34 Q N -1.093 118.604 119.800 -0.172 0.000 2.349 34 Q HA 0.234 4.574 4.340 -0.000 0.000 0.455 34 Q C -0.243 175.668 176.000 -0.149 0.000 1.031 34 Q CA 0.020 55.730 55.803 -0.156 0.000 0.693 34 Q CB 0.282 28.942 28.738 -0.130 0.000 3.634 34 Q HN 0.043 nan 8.270 nan 0.000 0.358 35 V N 1.456 121.295 119.914 -0.125 0.000 2.604 35 V HA 0.413 4.533 4.120 -0.000 0.000 0.305 35 V C -0.734 175.304 176.094 -0.093 0.000 1.043 35 V CA -0.571 61.672 62.300 -0.096 0.000 0.888 35 V CB 1.715 33.498 31.823 -0.067 0.000 0.995 35 V HN 0.298 nan 8.190 nan 0.000 0.429 36 L N 4.593 125.781 121.223 -0.059 0.000 2.333 36 L HA 0.633 4.973 4.340 -0.000 0.000 0.269 36 L C -2.358 174.576 176.870 0.106 0.000 1.010 36 L CA -1.836 52.990 54.840 -0.023 0.000 0.818 36 L CB 1.837 43.848 42.059 -0.081 0.000 1.306 36 L HN 0.436 nan 8.230 nan 0.000 0.430 37 P HA 0.041 nan 4.420 nan 0.000 0.272 37 P C 0.297 177.694 177.300 0.161 0.000 1.230 37 P CA -0.408 62.794 63.100 0.170 0.000 0.788 37 P CB 0.647 32.453 31.700 0.175 0.000 0.949 38 E N 1.438 121.676 120.200 0.064 0.000 2.463 38 E HA -0.227 4.123 4.350 -0.000 0.000 0.201 38 E C 1.632 178.220 176.600 -0.021 0.000 1.045 38 E CA 0.384 56.806 56.400 0.036 0.000 0.872 38 E CB 0.022 29.733 29.700 0.017 0.000 0.797 38 E HN 0.318 nan 8.360 nan 0.000 0.538 39 R N -0.257 120.174 120.500 -0.115 0.000 2.237 39 R HA -0.142 4.198 4.340 -0.000 0.000 0.219 39 R C 0.510 176.549 176.300 -0.435 0.000 1.080 39 R CA 1.048 56.970 56.100 -0.297 0.000 0.995 39 R CB -0.143 29.903 30.300 -0.423 0.000 0.875 39 R HN 0.251 nan 8.270 nan 0.000 0.462 40 Y N 0.991 121.303 120.300 0.021 0.000 2.571 40 Y HA 0.134 4.684 4.550 -0.000 0.000 0.275 40 Y C 2.088 178.005 175.900 0.028 0.000 1.179 40 Y CA 0.179 58.297 58.100 0.029 0.000 1.242 40 Y CB 0.645 39.119 38.460 0.024 0.000 1.126 40 Y HN 0.211 nan 8.280 nan 0.000 0.524 41 S N -0.578 115.172 115.700 0.084 0.000 2.420 41 S HA -0.264 4.205 4.470 -0.000 0.000 0.237 41 S C 2.008 176.640 174.600 0.054 0.000 1.023 41 S CA 1.536 59.775 58.200 0.065 0.000 0.991 41 S CB -0.810 62.410 63.200 0.033 0.000 0.792 41 S HN 0.506 nan 8.310 nan 0.000 0.488 42 S N 1.088 116.820 115.700 0.054 0.000 2.603 42 S HA 0.226 4.696 4.470 -0.000 0.000 0.229 42 S C 1.358 175.992 174.600 0.057 0.000 0.972 42 S CA 0.263 58.490 58.200 0.044 0.000 0.935 42 S CB -0.648 62.581 63.200 0.048 0.000 0.769 42 S HN 0.581 nan 8.310 nan 0.000 0.536 43 L N 0.419 121.696 121.223 0.090 0.000 2.607 43 L HA 0.285 4.624 4.340 -0.000 0.000 0.228 43 L C 2.427 179.326 176.870 0.049 0.000 1.123 43 L CA 0.194 55.090 54.840 0.092 0.000 0.890 43 L CB -0.218 41.930 42.059 0.149 0.000 1.103 43 L HN 0.237 nan 8.230 nan 0.000 0.468 44 E N 1.341 121.556 120.200 0.024 0.000 2.086 44 E HA -0.276 4.074 4.350 -0.000 0.000 0.205 44 E C 1.969 178.528 176.600 -0.068 0.000 1.027 44 E CA 2.428 58.830 56.400 0.003 0.000 0.830 44 E CB -0.216 29.472 29.700 -0.019 0.000 0.751 44 E HN 0.416 nan 8.360 nan 0.000 0.456 45 T N -2.411 112.014 114.554 -0.216 0.000 3.215 45 T HA 0.046 4.396 4.350 -0.000 0.000 0.254 45 T C 0.788 175.397 174.700 -0.152 0.000 1.149 45 T CA 0.607 62.507 62.100 -0.334 0.000 1.042 45 T CB -0.307 68.252 68.868 -0.516 0.000 0.966 45 T HN 0.128 nan 8.240 nan 0.000 0.534 46 S N -0.691 114.970 115.700 -0.064 0.000 2.941 46 S HA 0.405 4.875 4.470 -0.000 0.000 0.248 46 S C 0.988 175.607 174.600 0.032 0.000 0.962 46 S CA -0.957 57.216 58.200 -0.045 0.000 1.092 46 S CB 0.171 63.343 63.200 -0.046 0.000 1.113 46 S HN 0.308 nan 8.310 nan 0.000 0.512 47 R N 0.327 120.883 120.500 0.093 0.000 2.120 47 R HA 0.076 4.415 4.340 -0.000 0.000 0.234 47 R C 1.942 178.373 176.300 0.219 0.000 1.123 47 R CA 1.038 57.237 56.100 0.166 0.000 0.975 47 R CB -0.394 30.061 30.300 0.257 0.000 0.866 47 R HN 0.378 nan 8.270 nan 0.000 0.446 48 L N 0.948 122.286 121.223 0.191 0.000 2.083 48 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 48 L C 2.289 179.153 176.870 -0.009 0.000 1.083 48 L CA 2.303 57.225 54.840 0.136 0.000 0.752 48 L CB -0.850 41.177 42.059 -0.054 0.000 0.899 48 L HN 0.288 nan 8.230 nan 0.000 0.433 49 T N -3.665 110.829 114.554 -0.100 0.000 3.023 49 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 49 T C 1.940 176.436 174.700 -0.340 0.000 1.093 49 T CA 0.762 62.690 62.100 -0.287 0.000 1.129 49 T CB -0.368 68.309 68.868 -0.318 0.000 0.899 49 T HN 0.183 nan 8.240 nan 0.000 0.491 50 I N 2.259 122.795 120.570 -0.058 0.000 2.252 50 I HA 0.048 4.217 4.170 -0.000 0.000 0.245 50 I C 3.104 179.229 176.117 0.014 0.000 1.102 50 I CA 1.055 62.408 61.300 0.089 0.000 1.385 50 I CB -1.725 36.338 38.000 0.105 0.000 1.064 50 I HN 0.392 nan 8.210 nan 0.000 0.414 51 A N 0.859 123.679 122.820 -0.002 0.000 1.902 51 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 51 A C 2.301 179.810 177.584 -0.125 0.000 1.181 51 A CA 1.514 53.536 52.037 -0.025 0.000 0.623 51 A CB -1.123 17.954 19.000 0.128 0.000 0.818 51 A HN 0.387 nan 8.150 nan 0.000 0.443 52 F N -0.010 119.748 119.950 -0.321 0.000 2.069 52 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 52 F C 1.981 177.444 175.800 -0.563 0.000 1.113 52 F CA 1.794 59.503 58.000 -0.485 0.000 1.214 52 F CB -0.624 37.977 39.000 -0.665 0.000 0.978 52 F HN 0.253 nan 8.300 nan 0.000 0.474 53 F N 0.197 119.756 119.950 -0.652 0.000 2.161 53 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 53 F C 2.583 177.882 175.800 -0.835 0.000 1.089 53 F CA 0.705 58.166 58.000 -0.899 0.000 1.282 53 F CB -0.812 38.001 39.000 -0.312 0.000 1.010 53 F HN 0.151 nan 8.300 nan 0.000 0.485 54 A N 0.236 122.868 122.820 -0.314 0.000 1.874 54 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 54 A C 2.121 179.381 177.584 -0.540 0.000 1.189 54 A CA 0.958 52.782 52.037 -0.355 0.000 0.615 54 A CB -0.881 18.100 19.000 -0.031 0.000 0.830 54 A HN 0.332 nan 8.150 nan 0.000 0.443 55 L N -0.988 119.973 121.223 -0.436 0.000 2.027 55 L HA -0.120 4.219 4.340 -0.000 0.000 0.206 55 L C 2.854 179.445 176.870 -0.466 0.000 1.074 55 L CA 1.532 56.154 54.840 -0.364 0.000 0.745 55 L CB -0.470 41.433 42.059 -0.260 0.000 0.898 55 L HN 0.426 nan 8.230 nan 0.000 0.433 56 S N -0.222 115.040 115.700 -0.730 0.000 2.423 56 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 56 S C 1.934 176.268 174.600 -0.443 0.000 1.014 56 S CA 1.162 58.955 58.200 -0.678 0.000 0.965 56 S CB -0.301 62.109 63.200 -1.317 0.000 0.785 56 S HN 0.543 nan 8.310 nan 0.000 0.495 57 G N 1.179 109.557 108.800 -0.704 0.000 2.402 57 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 57 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 57 G C 1.365 175.963 174.900 -0.503 0.000 1.162 57 G CA 0.540 45.176 45.100 -0.773 0.000 0.777 57 G HN 0.494 nan 8.290 nan 0.000 0.539 58 L N 0.351 121.298 121.223 -0.460 0.000 2.056 58 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 58 L C 2.566 179.389 176.870 -0.078 0.000 1.078 58 L CA 1.318 56.083 54.840 -0.124 0.000 0.749 58 L CB -0.316 41.689 42.059 -0.090 0.000 0.901 58 L HN 0.186 nan 8.230 nan 0.000 0.433 59 D N 0.146 120.467 120.400 -0.132 0.000 2.104 59 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 59 D C 2.135 178.407 176.300 -0.046 0.000 0.994 59 D CA 1.422 55.373 54.000 -0.081 0.000 0.830 59 D CB 0.045 40.781 40.800 -0.106 0.000 0.959 59 D HN 0.018 nan 8.370 nan 0.000 0.452 60 M N -0.395 119.168 119.600 -0.061 0.000 2.213 60 M HA 0.031 4.511 4.480 -0.000 0.000 0.263 60 M C 1.517 177.827 176.300 0.016 0.000 1.062 60 M CA 1.184 56.463 55.300 -0.036 0.000 1.105 60 M CB -0.057 32.497 32.600 -0.077 0.000 1.385 60 M HN 0.109 nan 8.290 nan 0.000 0.417 61 L N -1.321 119.938 121.223 0.059 0.000 2.607 61 L HA 0.110 4.450 4.340 -0.000 0.000 0.228 61 L C 0.162 177.086 176.870 0.090 0.000 1.123 61 L CA -0.092 54.825 54.840 0.129 0.000 0.890 61 L CB -0.346 41.847 42.059 0.222 0.000 1.103 61 L HN 0.266 nan 8.230 nan 0.000 0.468 62 D N 0.133 120.561 120.400 0.046 0.000 2.718 62 D HA -0.192 4.448 4.640 -0.000 0.000 0.242 62 D C 0.272 176.594 176.300 0.037 0.000 1.123 62 D CA 0.710 54.730 54.000 0.033 0.000 0.690 62 D CB -0.794 40.030 40.800 0.039 0.000 1.059 62 D HN 0.183 nan 8.370 nan 0.000 0.429 63 S N -0.362 115.358 115.700 0.034 0.000 2.952 63 S HA 0.204 4.674 4.470 -0.000 0.000 0.251 63 S C 1.549 176.158 174.600 0.015 0.000 1.021 63 S CA -0.580 57.641 58.200 0.035 0.000 1.067 63 S CB 0.253 63.491 63.200 0.064 0.000 1.002 63 S HN 0.398 nan 8.310 nan 0.000 0.574 64 L N 2.231 123.453 121.223 -0.003 0.000 2.447 64 L HA -0.148 4.192 4.340 -0.000 0.000 0.225 64 L C 2.160 179.025 176.870 -0.007 0.000 1.148 64 L CA 1.180 56.010 54.840 -0.017 0.000 0.808 64 L CB -0.324 41.719 42.059 -0.026 0.000 0.928 64 L HN 0.510 nan 8.230 nan 0.000 0.448 65 D N -0.036 120.365 120.400 0.001 0.000 2.219 65 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 65 D C 1.825 178.125 176.300 0.001 0.000 0.970 65 D CA 1.363 55.364 54.000 0.003 0.000 0.851 65 D CB -0.374 40.429 40.800 0.006 0.000 0.943 65 D HN 0.397 nan 8.370 nan 0.000 0.488 66 V N -0.264 119.652 119.914 0.003 0.000 3.541 66 V HA 0.053 4.173 4.120 -0.000 0.000 0.272 66 V C 0.835 176.924 176.094 -0.008 0.000 1.215 66 V CA 0.308 62.608 62.300 0.001 0.000 1.176 66 V CB -1.282 30.546 31.823 0.009 0.000 0.854 66 V HN 0.210 nan 8.190 nan 0.000 0.496 67 V N -2.386 117.522 119.914 -0.011 0.000 3.040 67 V HA 0.596 4.716 4.120 -0.000 0.000 0.312 67 V C -0.245 175.843 176.094 -0.011 0.000 1.115 67 V CA -0.975 61.314 62.300 -0.019 0.000 0.998 67 V CB 1.903 33.708 31.823 -0.029 0.000 1.042 67 V HN 0.254 nan 8.190 nan 0.000 0.433 68 N N 1.952 120.646 118.700 -0.010 0.000 2.602 68 N HA 0.242 4.982 4.740 -0.000 0.000 0.238 68 N C 0.865 176.386 175.510 0.018 0.000 1.084 68 N CA -0.124 52.929 53.050 0.004 0.000 0.952 68 N CB 0.869 39.358 38.487 0.004 0.000 1.244 68 N HN 0.803 nan 8.380 nan 0.000 0.512 69 K N 1.392 121.804 120.400 0.020 0.000 2.127 69 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 69 K C 0.752 177.388 176.600 0.061 0.000 1.047 69 K CA 1.483 57.789 56.287 0.032 0.000 0.927 69 K CB 0.230 32.745 32.500 0.026 0.000 0.716 69 K HN 0.556 nan 8.250 nan 0.000 0.450 70 D N 0.953 121.391 120.400 0.062 0.000 2.117 70 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 70 D C 1.476 177.844 176.300 0.113 0.000 0.982 70 D CA 1.101 55.152 54.000 0.085 0.000 0.828 70 D CB -0.136 40.704 40.800 0.067 0.000 0.967 70 D HN 0.211 nan 8.370 nan 0.000 0.464 71 D N 1.143 121.599 120.400 0.093 0.000 2.097 71 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 71 D C 2.364 178.772 176.300 0.180 0.000 0.989 71 D CA 0.503 54.573 54.000 0.116 0.000 0.827 71 D CB -0.361 40.474 40.800 0.058 0.000 0.966 71 D HN 0.283 nan 8.370 nan 0.000 0.456 72 I N 0.858 121.513 120.570 0.141 0.000 2.226 72 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 72 I C 2.439 178.713 176.117 0.263 0.000 1.100 72 I CA 0.707 62.128 61.300 0.202 0.000 1.374 72 I CB -0.201 37.861 38.000 0.104 0.000 1.057 72 I HN -0.037 nan 8.210 nan 0.000 0.413 73 I N 0.509 121.190 120.570 0.186 0.000 2.286 73 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 73 I C 2.513 178.795 176.117 0.274 0.000 1.115 73 I CA 1.182 62.590 61.300 0.180 0.000 1.392 73 I CB -0.394 37.720 38.000 0.190 0.000 1.065 73 I HN 0.257 nan 8.210 nan 0.000 0.418 74 E N -0.092 120.289 120.200 0.300 0.000 2.072 74 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 74 E C 1.718 178.518 176.600 0.333 0.000 0.985 74 E CA 1.098 57.693 56.400 0.325 0.000 0.801 74 E CB -0.455 29.442 29.700 0.328 0.000 0.750 74 E HN 0.604 nan 8.360 nan 0.000 0.452 75 W N 1.932 123.361 121.300 0.214 0.000 2.355 75 W HA -0.135 4.525 4.660 -0.000 0.000 0.309 75 W C 1.996 178.574 176.519 0.097 0.000 1.206 75 W CA 1.450 58.922 57.345 0.212 0.000 1.284 75 W CB -0.488 29.069 29.460 0.162 0.000 1.145 75 W HN -0.065 nan 8.180 nan 0.000 0.502 76 I N -0.579 119.973 120.570 -0.030 0.000 2.163 76 I HA -0.375 3.795 4.170 -0.000 0.000 0.243 76 I C 2.133 178.128 176.117 -0.204 0.000 1.085 76 I CA 1.513 62.635 61.300 -0.297 0.000 1.347 76 I CB -0.911 36.970 38.000 -0.199 0.000 1.044 76 I HN -0.061 nan 8.210 nan 0.000 0.408 77 Y N 1.120 121.397 120.300 -0.038 0.000 2.403 77 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 77 Y C 2.923 178.664 175.900 -0.265 0.000 1.143 77 Y CA 1.347 59.403 58.100 -0.074 0.000 1.257 77 Y CB -0.611 37.818 38.460 -0.053 0.000 0.984 77 Y HN 0.276 nan 8.280 nan 0.000 0.550 78 S N -0.987 114.563 115.700 -0.250 0.000 2.515 78 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 78 S C 1.517 175.881 174.600 -0.392 0.000 0.987 78 S CA 0.646 58.554 58.200 -0.486 0.000 0.936 78 S CB -0.632 62.041 63.200 -0.879 0.000 0.766 78 S HN 0.486 nan 8.310 nan 0.000 0.528 79 L N 0.477 121.481 121.223 -0.366 0.000 2.592 79 L HA 0.273 4.613 4.340 -0.000 0.000 0.227 79 L C 1.314 177.959 176.870 -0.375 0.000 1.127 79 L CA -0.010 54.640 54.840 -0.317 0.000 0.884 79 L CB -0.202 41.668 42.059 -0.316 0.000 1.065 79 L HN 0.402 nan 8.230 nan 0.000 0.457 80 Q N 1.385 120.838 119.800 -0.578 0.000 2.304 80 Q HA 0.190 4.530 4.340 -0.000 0.000 0.260 80 Q C -0.718 174.964 176.000 -0.531 0.000 0.965 80 Q CA -0.257 54.953 55.803 -0.988 0.000 0.898 80 Q CB 1.470 29.597 28.738 -1.018 0.000 1.196 80 Q HN -0.016 nan 8.270 nan 0.000 0.402 81 V N 6.914 126.552 119.914 -0.460 0.000 2.356 81 V HA 0.173 4.293 4.120 -0.000 0.000 0.258 81 V C 0.202 176.152 176.094 -0.240 0.000 1.065 81 V CA -0.149 61.988 62.300 -0.272 0.000 0.935 81 V CB 0.123 31.830 31.823 -0.193 0.000 1.061 81 V HN 0.718 nan 8.190 nan 0.000 0.484 82 L N 7.902 129.002 121.223 -0.204 0.000 2.399 82 L HA 0.488 4.828 4.340 -0.000 0.000 0.266 82 L C -1.828 174.972 176.870 -0.118 0.000 1.114 82 L CA -1.818 52.925 54.840 -0.160 0.000 0.804 82 L CB 1.427 43.396 42.059 -0.150 0.000 1.146 82 L HN 0.382 nan 8.230 nan 0.000 0.451 83 P HA 0.074 nan 4.420 nan 0.000 0.271 83 P C -0.539 176.719 177.300 -0.071 0.000 1.218 83 P CA -0.358 62.696 63.100 -0.078 0.000 0.780 83 P CB 0.632 32.291 31.700 -0.069 0.000 0.901 84 T N -2.052 112.466 114.554 -0.061 0.000 2.754 84 T HA 0.276 4.626 4.350 -0.000 0.000 0.286 84 T C 1.756 176.427 174.700 -0.049 0.000 0.997 84 T CA 0.243 62.312 62.100 -0.053 0.000 0.982 84 T CB -0.331 68.509 68.868 -0.046 0.000 1.027 84 T HN 0.453 nan 8.240 nan 0.000 0.529 85 E N 1.052 121.226 120.200 -0.044 0.000 2.086 85 E HA -0.250 4.100 4.350 -0.000 0.000 0.200 85 E C 1.542 178.120 176.600 -0.038 0.000 1.012 85 E CA 1.954 58.330 56.400 -0.040 0.000 0.812 85 E CB -1.451 28.227 29.700 -0.035 0.000 0.743 85 E HN 0.980 nan 8.360 nan 0.000 0.453 86 D N -0.650 119.728 120.400 -0.036 0.000 2.363 86 D HA -0.042 4.598 4.640 -0.000 0.000 0.226 86 D C 0.352 176.630 176.300 -0.036 0.000 1.020 86 D CA 0.298 54.278 54.000 -0.034 0.000 0.892 86 D CB -0.533 40.248 40.800 -0.032 0.000 0.900 86 D HN 0.490 nan 8.370 nan 0.000 0.531 87 R N -0.133 120.343 120.500 -0.040 0.000 3.301 87 R HA -0.167 4.173 4.340 -0.000 0.000 0.249 87 R C 0.426 176.702 176.300 -0.040 0.000 0.964 87 R CA 0.873 56.948 56.100 -0.043 0.000 0.653 87 R CB -2.767 27.508 30.300 -0.041 0.000 1.043 87 R HN 0.464 nan 8.270 nan 0.000 0.454 88 S N -0.382 115.293 115.700 -0.041 0.000 2.557 88 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 88 S C 0.872 175.446 174.600 -0.043 0.000 0.969 88 S CA 0.029 58.205 58.200 -0.039 0.000 0.927 88 S CB 0.197 63.374 63.200 -0.038 0.000 0.806 88 S HN 0.547 nan 8.310 nan 0.000 0.489 89 N N 1.139 119.811 118.700 -0.047 0.000 2.351 89 N HA 0.217 4.957 4.740 -0.000 0.000 0.254 89 N C 0.788 176.268 175.510 -0.050 0.000 1.241 89 N CA -0.406 52.615 53.050 -0.050 0.000 0.883 89 N CB -0.454 38.001 38.487 -0.054 0.000 1.202 89 N HN 0.316 nan 8.380 nan 0.000 0.512 90 L N 0.154 121.349 121.223 -0.046 0.000 2.079 90 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 90 L C 0.866 177.713 176.870 -0.039 0.000 1.081 90 L CA 1.441 56.255 54.840 -0.044 0.000 0.752 90 L CB -0.266 41.770 42.059 -0.038 0.000 0.896 90 L HN 0.059 nan 8.230 nan 0.000 0.433 91 D N -0.111 120.268 120.400 -0.035 0.000 2.403 91 D HA -0.094 4.546 4.640 -0.000 0.000 0.227 91 D C 1.427 177.707 176.300 -0.033 0.000 0.995 91 D CA 0.779 54.761 54.000 -0.030 0.000 0.928 91 D CB 0.071 40.853 40.800 -0.029 0.000 0.887 91 D HN 0.281 nan 8.370 nan 0.000 0.529 92 R N -1.052 119.423 120.500 -0.041 0.000 2.572 92 R HA 0.248 4.588 4.340 -0.000 0.000 0.370 92 R C -0.214 176.054 176.300 -0.054 0.000 1.005 92 R CA -0.250 55.824 56.100 -0.044 0.000 1.146 92 R CB 0.418 30.690 30.300 -0.047 0.000 1.390 92 R HN 0.067 nan 8.270 nan 0.000 0.553 93 C N 0.688 119.954 119.300 -0.057 0.000 2.520 93 C HA 0.795 5.255 4.460 -0.000 0.000 0.376 93 C C 1.396 176.352 174.990 -0.057 0.000 1.268 93 C CA 0.311 59.282 59.018 -0.078 0.000 2.414 93 C CB 0.994 28.685 27.740 -0.082 0.000 2.521 93 C HN 0.789 nan 8.230 nan 0.000 0.618 94 G N 0.619 109.364 108.800 -0.092 0.000 2.366 94 G HA2 0.268 4.228 3.960 -0.000 0.000 0.190 94 G HA3 0.268 4.228 3.960 -0.000 0.000 0.190 94 G C -1.643 173.205 174.900 -0.087 0.000 1.299 94 G CA -0.501 44.612 45.100 0.023 0.000 1.056 94 G HN 0.426 nan 8.290 nan 0.000 0.468 95 F N 1.246 121.150 119.950 -0.077 0.000 2.563 95 F HA 0.770 5.297 4.527 -0.000 0.000 0.316 95 F C 0.827 176.582 175.800 -0.074 0.000 1.076 95 F CA -0.719 57.217 58.000 -0.106 0.000 0.921 95 F CB 2.149 41.059 39.000 -0.150 0.000 1.209 95 F HN 0.397 nan 8.300 nan 0.000 0.462 96 R N 0.126 120.658 120.500 0.053 0.000 2.532 96 R HA 0.477 4.817 4.340 -0.000 0.000 0.272 96 R C 1.034 177.360 176.300 0.044 0.000 1.032 96 R CA -0.305 55.824 56.100 0.049 0.000 1.089 96 R CB 0.682 30.971 30.300 -0.019 0.000 1.098 96 R HN 0.912 nan 8.270 nan 0.000 0.526 97 G N -0.094 108.753 108.800 0.079 0.000 2.464 97 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 97 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 97 G C 0.318 175.264 174.900 0.077 0.000 1.138 97 G CA 0.906 46.020 45.100 0.023 0.000 0.793 97 G HN 0.631 nan 8.290 nan 0.000 0.539 98 S N -1.873 113.925 115.700 0.164 0.000 2.714 98 S HA 0.371 4.841 4.470 -0.000 0.000 0.280 98 S C 0.270 174.988 174.600 0.197 0.000 1.200 98 S CA 0.488 58.817 58.200 0.216 0.000 0.900 98 S CB 0.779 64.161 63.200 0.303 0.000 1.235 98 S HN 0.504 nan 8.310 nan 0.000 0.512 99 S N 0.196 116.026 115.700 0.216 0.000 2.583 99 S HA 0.165 4.635 4.470 -0.000 0.000 0.239 99 S C 1.161 175.811 174.600 0.083 0.000 0.966 99 S CA 0.068 58.328 58.200 0.099 0.000 0.973 99 S CB -1.252 62.036 63.200 0.146 0.000 0.794 99 S HN 0.990 nan 8.310 nan 0.000 0.463 100 Y N 0.524 120.852 120.300 0.047 0.000 2.556 100 Y HA 0.139 4.689 4.550 -0.000 0.000 0.290 100 Y C 1.319 177.234 175.900 0.025 0.000 1.149 100 Y CA 0.116 58.242 58.100 0.043 0.000 1.329 100 Y CB -0.721 37.764 38.460 0.040 0.000 0.975 100 Y HN 0.326 nan 8.280 nan 0.000 0.561 101 L N 0.370 121.266 121.223 -0.546 0.000 2.492 101 L HA 0.199 4.539 4.340 -0.000 0.000 0.223 101 L C 1.828 178.617 176.870 -0.135 0.000 1.132 101 L CA 0.885 55.473 54.840 -0.420 0.000 0.850 101 L CB -0.524 41.161 42.059 -0.625 0.000 0.966 101 L HN 0.636 nan 8.230 nan 0.000 0.454 102 G N 0.848 109.606 108.800 -0.070 0.000 2.141 102 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.242 102 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.242 102 G C 0.271 175.186 174.900 0.024 0.000 0.982 102 G CA -0.255 44.853 45.100 0.013 0.000 0.662 102 G HN 0.275 nan 8.290 nan 0.000 0.527 103 I N 2.931 123.488 120.570 -0.021 0.000 2.556 103 I HA 0.192 4.362 4.170 -0.000 0.000 0.284 103 I C -0.718 175.415 176.117 0.026 0.000 1.114 103 I CA -1.568 59.731 61.300 -0.002 0.000 1.418 103 I CB 0.561 38.519 38.000 -0.070 0.000 1.394 103 I HN 0.033 nan 8.210 nan 0.000 0.552 104 P HA -0.089 nan 4.420 nan 0.000 0.265 104 P C -0.452 176.909 177.300 0.102 0.000 1.193 104 P CA -0.084 63.066 63.100 0.082 0.000 0.765 104 P CB 0.375 32.112 31.700 0.063 0.000 0.823 105 F N 3.391 123.347 119.950 0.010 0.000 2.612 105 F HA 0.011 4.538 4.527 -0.000 0.000 0.389 105 F C 0.622 176.424 175.800 0.004 0.000 1.055 105 F CA 0.938 58.948 58.000 0.015 0.000 1.232 105 F CB -0.026 38.998 39.000 0.040 0.000 1.044 105 F HN 0.413 nan 8.300 nan 0.000 0.560 106 N N 6.945 125.346 118.700 -0.499 0.000 2.793 106 N HA 0.253 4.993 4.740 -0.000 0.000 0.251 106 N C -2.880 172.363 175.510 -0.446 0.000 1.308 106 N CA -1.369 51.486 53.050 -0.324 0.000 0.781 106 N CB 1.167 39.555 38.487 -0.165 0.000 1.439 106 N HN 0.142 nan 8.380 nan 0.000 0.562 107 P HA 0.069 nan 4.420 nan 0.000 0.235 107 P C -0.697 176.503 177.300 -0.166 0.000 1.720 107 P CA 0.267 63.206 63.100 -0.267 0.000 1.003 107 P CB -0.466 31.174 31.700 -0.100 0.000 1.968 108 S N -0.921 114.673 115.700 -0.176 0.000 3.559 108 S HA -0.221 4.249 4.470 -0.000 0.000 0.369 108 S C 1.273 175.765 174.600 -0.181 0.000 0.987 108 S CA 1.571 59.667 58.200 -0.174 0.000 1.187 108 S CB -1.531 61.570 63.200 -0.165 0.000 0.914 108 S HN 0.769 nan 8.310 nan 0.000 0.480 109 K N 0.278 120.593 120.400 -0.142 0.000 2.467 109 K HA 0.534 4.854 4.320 -0.000 0.000 0.231 109 K C 0.776 177.320 176.600 -0.093 0.000 1.065 109 K CA 1.004 57.225 56.287 -0.109 0.000 1.004 109 K CB -1.302 31.154 32.500 -0.074 0.000 1.309 109 K HN 0.922 nan 8.250 nan 0.000 0.462 110 N N 2.363 121.018 118.700 -0.075 0.000 2.288 110 N HA 0.356 5.096 4.740 -0.000 0.000 0.237 110 N C -1.608 173.857 175.510 -0.076 0.000 1.311 110 N CA -0.548 52.464 53.050 -0.064 0.000 0.909 110 N CB -0.597 37.861 38.487 -0.048 0.000 1.167 110 N HN 0.580 nan 8.380 nan 0.000 0.476 111 P HA 0.263 nan 4.420 nan 0.000 0.282 111 P C 0.341 177.596 177.300 -0.075 0.000 1.286 111 P CA -0.056 63.001 63.100 -0.071 0.000 0.777 111 P CB -0.212 31.453 31.700 -0.058 0.000 1.184 112 G N -0.322 108.432 108.800 -0.077 0.000 2.406 112 G HA2 0.400 4.360 3.960 -0.000 0.000 0.251 112 G HA3 0.400 4.360 3.960 -0.000 0.000 0.251 112 G C -0.032 174.835 174.900 -0.055 0.000 1.271 112 G CA -0.243 44.811 45.100 -0.077 0.000 0.859 112 G HN 0.579 nan 8.290 nan 0.000 0.540 113 T N -0.010 114.517 114.554 -0.046 0.000 2.781 113 T HA 0.610 4.960 4.350 -0.000 0.000 0.305 113 T C 0.631 175.330 174.700 -0.003 0.000 1.001 113 T CA -0.105 61.981 62.100 -0.023 0.000 0.950 113 T CB 1.159 70.019 68.868 -0.014 0.000 0.955 113 T HN 1.061 nan 8.240 nan 0.000 0.471 114 A N 3.406 126.220 122.820 -0.010 0.000 2.603 114 A HA 0.248 4.568 4.320 -0.000 0.000 0.235 114 A C 0.340 177.951 177.584 0.046 0.000 1.035 114 A CA 0.290 52.326 52.037 -0.001 0.000 0.755 114 A CB -0.258 18.726 19.000 -0.027 0.000 0.954 114 A HN 1.056 nan 8.150 nan 0.000 0.511 115 H N 3.080 122.113 119.070 -0.061 0.000 3.099 115 H HA 0.305 4.861 4.556 -0.000 0.000 0.342 115 H C -2.440 172.839 175.328 -0.080 0.000 1.054 115 H CA -1.351 54.669 56.048 -0.046 0.000 1.328 115 H CB 1.784 31.524 29.762 -0.036 0.000 1.876 115 H HN 0.353 nan 8.280 nan 0.000 0.495 116 P HA -0.144 nan 4.420 nan 0.000 0.217 116 P C 0.072 177.133 177.300 -0.398 0.000 1.151 116 P CA 1.610 64.568 63.100 -0.236 0.000 0.849 116 P CB 0.088 31.625 31.700 -0.273 0.000 0.787 117 Y N -2.693 117.830 120.300 0.372 0.000 2.682 117 Y HA 0.274 4.824 4.550 -0.000 0.000 0.251 117 Y C 0.245 176.127 175.900 -0.029 0.000 1.172 117 Y CA -0.945 57.243 58.100 0.147 0.000 1.186 117 Y CB 0.006 38.551 38.460 0.141 0.000 1.216 117 Y HN -0.153 nan 8.280 nan 0.000 0.540 118 D N 1.465 121.858 120.400 -0.011 0.000 2.249 118 D HA 0.457 5.097 4.640 -0.000 0.000 0.246 118 D C -0.161 176.092 176.300 -0.079 0.000 1.114 118 D CA 0.177 54.071 54.000 -0.175 0.000 0.854 118 D CB 0.837 41.470 40.800 -0.279 0.000 1.132 118 D HN 0.166 nan 8.370 nan 0.000 0.461 119 S N 1.571 117.233 115.700 -0.063 0.000 2.636 119 S HA 0.752 5.222 4.470 -0.000 0.000 0.268 119 S C 0.077 174.667 174.600 -0.017 0.000 1.159 119 S CA -0.768 57.408 58.200 -0.040 0.000 0.815 119 S CB 0.802 63.993 63.200 -0.014 0.000 1.130 119 S HN 0.462 nan 8.310 nan 0.000 0.471 120 G N -0.059 108.732 108.800 -0.015 0.000 2.547 120 G HA2 0.529 4.489 3.960 -0.000 0.000 0.291 120 G HA3 0.529 4.489 3.960 -0.000 0.000 0.291 120 G C -0.904 174.036 174.900 0.066 0.000 1.211 120 G CA -0.319 44.798 45.100 0.028 0.000 0.950 120 G HN 0.878 nan 8.290 nan 0.000 0.504 121 H N 0.517 119.583 119.070 -0.006 0.000 2.744 121 H HA 0.233 4.789 4.556 -0.000 0.000 0.339 121 H C 1.017 176.303 175.328 -0.070 0.000 1.004 121 H CA -0.702 55.318 56.048 -0.048 0.000 1.257 121 H CB 1.833 31.585 29.762 -0.016 0.000 1.552 121 H HN 0.380 nan 8.280 nan 0.000 0.522 122 I N 3.977 124.399 120.570 -0.246 0.000 2.185 122 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 122 I C 1.942 178.098 176.117 0.066 0.000 1.088 122 I CA 1.935 63.149 61.300 -0.143 0.000 1.347 122 I CB -0.060 37.742 38.000 -0.329 0.000 1.041 122 I HN 0.708 nan 8.210 nan 0.000 0.415 123 A N -0.151 122.837 122.820 0.279 0.000 2.066 123 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 123 A C 2.116 179.790 177.584 0.151 0.000 1.157 123 A CA 1.155 53.391 52.037 0.331 0.000 0.670 123 A CB -0.279 18.978 19.000 0.428 0.000 0.804 123 A HN 0.424 nan 8.150 nan 0.000 0.453 124 M N -0.905 118.779 119.600 0.141 0.000 2.287 124 M HA -0.007 4.473 4.480 -0.000 0.000 0.266 124 M C 2.046 178.295 176.300 -0.085 0.000 1.079 124 M CA 1.555 56.844 55.300 -0.019 0.000 1.146 124 M CB -1.931 30.687 32.600 0.031 0.000 1.374 124 M HN 0.324 nan 8.290 nan 0.000 0.435 125 T N 0.522 115.089 114.554 0.022 0.000 2.746 125 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 125 T C 1.699 176.281 174.700 -0.196 0.000 1.039 125 T CA 1.516 63.601 62.100 -0.025 0.000 1.142 125 T CB -0.467 68.456 68.868 0.092 0.000 0.866 125 T HN 0.357 nan 8.240 nan 0.000 0.444 126 Y N 2.961 123.131 120.300 -0.217 0.000 2.089 126 Y HA -0.205 4.344 4.550 -0.000 0.000 0.282 126 Y C 2.721 178.405 175.900 -0.360 0.000 1.139 126 Y CA 1.952 59.892 58.100 -0.266 0.000 1.123 126 Y CB -1.267 37.060 38.460 -0.220 0.000 0.980 126 Y HN 0.299 nan 8.280 nan 0.000 0.493 127 T N -1.988 112.009 114.554 -0.929 0.000 2.833 127 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 127 T C 2.210 176.525 174.700 -0.642 0.000 1.054 127 T CA 1.129 62.593 62.100 -1.061 0.000 1.135 127 T CB -1.382 67.002 68.868 -0.807 0.000 0.869 127 T HN 0.445 nan 8.240 nan 0.000 0.466 128 G N 1.970 110.400 108.800 -0.617 0.000 2.453 128 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.215 128 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.215 128 G C 1.504 175.955 174.900 -0.748 0.000 1.201 128 G CA 0.770 45.408 45.100 -0.769 0.000 0.784 128 G HN 0.507 nan 8.290 nan 0.000 0.545 129 L N 0.593 121.377 121.223 -0.732 0.000 2.042 129 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 129 L C 3.114 179.815 176.870 -0.282 0.000 1.076 129 L CA 1.399 55.977 54.840 -0.437 0.000 0.749 129 L CB -0.523 41.378 42.059 -0.264 0.000 0.893 129 L HN 0.358 nan 8.230 nan 0.000 0.432 130 S N -0.918 114.589 115.700 -0.321 0.000 2.370 130 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 130 S C 2.173 176.702 174.600 -0.120 0.000 1.033 130 S CA 1.642 59.715 58.200 -0.212 0.000 1.011 130 S CB -0.317 62.633 63.200 -0.416 0.000 0.852 130 S HN 0.507 nan 8.310 nan 0.000 0.457 131 C N 1.024 120.226 119.300 -0.164 0.000 2.446 131 C HA 0.073 4.533 4.460 -0.000 0.000 0.277 131 C C 2.533 177.454 174.990 -0.116 0.000 1.275 131 C CA 0.580 59.535 59.018 -0.105 0.000 1.727 131 C CB -1.572 26.101 27.740 -0.111 0.000 2.010 131 C HN 0.590 nan 8.230 nan 0.000 0.486 132 L N 0.444 121.560 121.223 -0.177 0.000 2.012 132 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 132 L C 2.399 179.236 176.870 -0.055 0.000 1.073 132 L CA 1.719 56.477 54.840 -0.136 0.000 0.748 132 L CB -0.580 41.355 42.059 -0.206 0.000 0.891 132 L HN 0.364 nan 8.230 nan 0.000 0.431 133 I N -0.264 120.272 120.570 -0.056 0.000 2.226 133 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 133 I C 2.438 178.535 176.117 -0.033 0.000 1.100 133 I CA 1.479 62.759 61.300 -0.033 0.000 1.374 133 I CB -0.259 37.716 38.000 -0.042 0.000 1.057 133 I HN 0.193 nan 8.210 nan 0.000 0.413 134 I N 0.571 121.117 120.570 -0.042 0.000 2.208 134 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 134 I C 2.206 178.300 176.117 -0.039 0.000 1.097 134 I CA 1.520 62.792 61.300 -0.046 0.000 1.363 134 I CB -0.291 37.665 38.000 -0.073 0.000 1.051 134 I HN 0.226 nan 8.210 nan 0.000 0.413 135 L N 0.315 121.518 121.223 -0.032 0.000 2.552 135 L HA 0.062 4.402 4.340 -0.000 0.000 0.227 135 L C 1.663 178.537 176.870 0.008 0.000 1.146 135 L CA 0.760 55.593 54.840 -0.012 0.000 0.858 135 L CB -0.432 41.627 42.059 -0.000 0.000 0.969 135 L HN 0.556 nan 8.230 nan 0.000 0.451 136 G N -0.190 108.614 108.800 0.007 0.000 2.176 136 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.232 136 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.232 136 G C 0.118 175.045 174.900 0.045 0.000 0.986 136 G CA 0.181 45.293 45.100 0.019 0.000 0.643 136 G HN 0.428 nan 8.290 nan 0.000 0.522 137 D N 0.600 121.038 120.400 0.064 0.000 2.378 137 D HA 0.407 5.047 4.640 -0.000 0.000 0.238 137 D C 1.396 177.772 176.300 0.127 0.000 1.180 137 D CA 0.646 54.716 54.000 0.117 0.000 0.895 137 D CB 0.501 41.400 40.800 0.166 0.000 1.192 137 D HN 0.301 nan 8.370 nan 0.000 0.438 138 D N 1.235 121.736 120.400 0.168 0.000 2.369 138 D HA 0.053 4.693 4.640 -0.000 0.000 0.211 138 D C 0.651 177.140 176.300 0.316 0.000 1.077 138 D CA -0.239 53.891 54.000 0.216 0.000 0.842 138 D CB 0.034 40.953 40.800 0.197 0.000 0.947 138 D HN 0.295 nan 8.370 nan 0.000 0.509 139 L N 0.290 121.683 121.223 0.284 0.000 4.696 139 L HA -0.289 4.051 4.340 -0.000 0.000 0.425 139 L C 1.741 178.709 176.870 0.164 0.000 1.115 139 L CA 1.010 56.022 54.840 0.286 0.000 0.996 139 L CB -2.929 39.325 42.059 0.326 0.000 2.077 139 L HN 0.341 nan 8.230 nan 0.000 0.792 140 S N -1.310 114.459 115.700 0.115 0.000 2.419 140 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 140 S C 1.685 176.253 174.600 -0.054 0.000 1.016 140 S CA 1.238 59.434 58.200 -0.007 0.000 0.974 140 S CB -0.222 62.975 63.200 -0.004 0.000 0.786 140 S HN 0.646 nan 8.310 nan 0.000 0.492 141 R N 0.724 121.181 120.500 -0.071 0.000 2.310 141 R HA 0.296 4.636 4.340 -0.000 0.000 0.202 141 R C -0.549 175.755 176.300 0.007 0.000 0.933 141 R CA -0.045 55.921 56.100 -0.224 0.000 1.054 141 R CB 0.110 29.923 30.300 -0.811 0.000 0.985 141 R HN 0.263 nan 8.270 nan 0.000 0.489 142 V N 1.857 121.867 119.914 0.159 0.000 2.406 142 V HA 0.012 4.132 4.120 -0.000 0.000 0.272 142 V C 0.195 176.303 176.094 0.023 0.000 1.043 142 V CA -0.658 61.757 62.300 0.191 0.000 0.915 142 V CB 1.382 33.343 31.823 0.230 0.000 0.988 142 V HN 0.088 nan 8.190 nan 0.000 0.466 143 D N 4.969 125.363 120.400 -0.009 0.000 2.498 143 D HA 0.083 4.723 4.640 -0.000 0.000 0.229 143 D C 1.289 177.560 176.300 -0.048 0.000 1.188 143 D CA 0.021 53.988 54.000 -0.056 0.000 1.028 143 D CB 0.464 41.220 40.800 -0.074 0.000 1.087 143 D HN 0.512 nan 8.370 nan 0.000 0.510 144 K N 1.520 121.876 120.400 -0.073 0.000 2.059 144 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 144 K C 1.469 178.029 176.600 -0.066 0.000 1.050 144 K CA 1.000 57.239 56.287 -0.080 0.000 0.927 144 K CB 0.236 32.640 32.500 -0.160 0.000 0.714 144 K HN 0.352 nan 8.250 nan 0.000 0.447 145 E N 0.374 120.530 120.200 -0.073 0.000 2.153 145 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 145 E C 1.995 178.568 176.600 -0.045 0.000 0.988 145 E CA 1.059 57.425 56.400 -0.057 0.000 0.811 145 E CB -0.153 29.512 29.700 -0.058 0.000 0.746 145 E HN 0.340 nan 8.360 nan 0.000 0.466 146 A N 0.699 123.490 122.820 -0.049 0.000 1.873 146 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 146 A C 2.627 180.190 177.584 -0.034 0.000 1.186 146 A CA 1.305 53.314 52.037 -0.047 0.000 0.616 146 A CB -0.862 18.100 19.000 -0.063 0.000 0.823 146 A HN 0.342 nan 8.150 nan 0.000 0.442 147 C N -0.539 118.748 119.300 -0.021 0.000 2.429 147 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 147 C C 2.627 177.613 174.990 -0.007 0.000 1.262 147 C CA 1.022 60.042 59.018 0.003 0.000 1.733 147 C CB -1.543 26.223 27.740 0.044 0.000 2.010 147 C HN 0.615 nan 8.230 nan 0.000 0.483 148 L N 1.032 122.244 121.223 -0.019 0.000 2.141 148 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 148 L C 2.870 179.741 176.870 0.001 0.000 1.094 148 L CA 1.446 56.276 54.840 -0.016 0.000 0.763 148 L CB -0.785 41.258 42.059 -0.027 0.000 0.908 148 L HN 0.340 nan 8.230 nan 0.000 0.437 149 A N 0.485 123.300 122.820 -0.009 0.000 1.898 149 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 149 A C 2.425 180.008 177.584 -0.001 0.000 1.181 149 A CA 1.673 53.706 52.037 -0.007 0.000 0.620 149 A CB -1.197 17.791 19.000 -0.020 0.000 0.819 149 A HN 0.418 nan 8.150 nan 0.000 0.442 150 G N -0.420 108.376 108.800 -0.006 0.000 2.418 150 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 150 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 150 G C 1.589 176.501 174.900 0.020 0.000 1.158 150 G CA 0.917 46.014 45.100 -0.004 0.000 0.771 150 G HN 0.403 nan 8.290 nan 0.000 0.545 151 L N -0.167 121.076 121.223 0.033 0.000 1.989 151 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 151 L C 3.242 180.217 176.870 0.174 0.000 1.071 151 L CA 1.351 56.242 54.840 0.086 0.000 0.749 151 L CB -0.289 41.797 42.059 0.044 0.000 0.890 151 L HN 0.201 nan 8.230 nan 0.000 0.431 152 R N -0.540 120.030 120.500 0.115 0.000 2.103 152 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 152 R C 2.176 178.495 176.300 0.031 0.000 1.142 152 R CA 1.474 57.627 56.100 0.088 0.000 0.960 152 R CB -0.508 29.819 30.300 0.044 0.000 0.858 152 R HN 0.455 nan 8.270 nan 0.000 0.439 153 A N 0.768 123.601 122.820 0.022 0.000 2.070 153 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 153 A C 2.016 179.591 177.584 -0.015 0.000 1.159 153 A CA 1.060 53.093 52.037 -0.008 0.000 0.656 153 A CB -0.312 18.682 19.000 -0.010 0.000 0.800 153 A HN 0.207 nan 8.150 nan 0.000 0.453 154 L N -1.026 120.217 121.223 0.033 0.000 2.418 154 L HA 0.026 4.366 4.340 -0.000 0.000 0.218 154 L C 1.432 178.252 176.870 -0.083 0.000 1.125 154 L CA 0.049 54.916 54.840 0.045 0.000 0.835 154 L CB -0.235 41.921 42.059 0.163 0.000 0.953 154 L HN 0.502 nan 8.230 nan 0.000 0.454 155 Q N 1.438 121.049 119.800 -0.315 0.000 2.313 155 Q HA 0.291 4.631 4.340 -0.000 0.000 0.266 155 Q C -0.543 175.210 176.000 -0.412 0.000 0.989 155 Q CA -0.074 55.241 55.803 -0.813 0.000 0.890 155 Q CB 0.867 29.004 28.738 -1.001 0.000 1.200 155 Q HN 0.239 nan 8.270 nan 0.000 0.396 156 L N 2.538 123.531 121.223 -0.383 0.000 2.448 156 L HA 0.310 4.650 4.340 -0.000 0.000 0.258 156 L C 1.846 178.612 176.870 -0.174 0.000 1.104 156 L CA 0.045 54.760 54.840 -0.209 0.000 0.800 156 L CB 0.334 42.301 42.059 -0.152 0.000 1.241 156 L HN 0.898 nan 8.230 nan 0.000 0.472 157 E N 0.850 120.991 120.200 -0.098 0.000 2.097 157 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 157 E C 1.324 177.898 176.600 -0.045 0.000 1.000 157 E CA 1.769 58.132 56.400 -0.063 0.000 0.804 157 E CB -0.955 28.726 29.700 -0.032 0.000 0.740 157 E HN 0.900 nan 8.360 nan 0.000 0.454 158 D N -2.011 118.374 120.400 -0.024 0.000 2.378 158 D HA 0.229 4.869 4.640 -0.000 0.000 0.227 158 D C 1.506 177.840 176.300 0.057 0.000 1.012 158 D CA 1.289 55.321 54.000 0.053 0.000 0.905 158 D CB -0.016 40.868 40.800 0.141 0.000 0.895 158 D HN 0.923 nan 8.370 nan 0.000 0.532 159 G N -0.356 108.387 108.800 -0.094 0.000 2.232 159 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.226 159 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.226 159 G C 0.550 175.259 174.900 -0.319 0.000 0.996 159 G CA 0.393 45.415 45.100 -0.129 0.000 0.626 159 G HN 0.841 nan 8.290 nan 0.000 0.509 160 S N -0.138 115.224 115.700 -0.564 0.000 2.661 160 S HA 0.813 5.283 4.470 -0.000 0.000 0.265 160 S C -0.139 174.234 174.600 -0.378 0.000 1.225 160 S CA -0.293 57.513 58.200 -0.656 0.000 0.986 160 S CB 1.231 63.694 63.200 -1.229 0.000 1.008 160 S HN 0.555 nan 8.310 nan 0.000 0.565 161 F N -1.330 118.537 119.950 -0.138 0.000 2.593 161 F HA 0.603 5.130 4.527 -0.000 0.000 0.320 161 F C 0.394 176.253 175.800 0.098 0.000 1.060 161 F CA -1.020 56.973 58.000 -0.011 0.000 0.940 161 F CB 1.461 40.477 39.000 0.026 0.000 1.268 161 F HN 0.665 nan 8.300 nan 0.000 0.475 162 C N 0.423 119.838 119.300 0.192 0.000 2.345 162 C HA 0.704 5.164 4.460 -0.000 0.000 0.370 162 C C 1.455 176.262 174.990 -0.306 0.000 1.209 162 C CA -0.022 59.027 59.018 0.052 0.000 2.133 162 C CB 1.373 29.108 27.740 -0.009 0.000 2.293 162 C HN 0.971 nan 8.230 nan 0.000 0.544 163 A N 0.392 122.831 122.820 -0.634 0.000 1.997 163 A HA 0.379 4.699 4.320 -0.000 0.000 0.212 163 A C 0.566 177.743 177.584 -0.680 0.000 1.178 163 A CA 1.147 52.516 52.037 -1.113 0.000 0.698 163 A CB -0.173 17.930 19.000 -1.496 0.000 0.842 163 A HN 1.256 nan 8.150 nan 0.000 0.458 164 V N -4.755 114.944 119.914 -0.358 0.000 2.925 164 V HA 0.504 4.624 4.120 -0.000 0.000 0.311 164 V C -2.344 173.699 176.094 -0.085 0.000 1.104 164 V CA -1.640 60.554 62.300 -0.177 0.000 0.954 164 V CB 1.854 33.629 31.823 -0.080 0.000 1.022 164 V HN 0.070 nan 8.190 nan 0.000 0.427 165 P HA -0.113 nan 4.420 nan 0.000 0.219 165 P C 0.913 178.207 177.300 -0.009 0.000 1.146 165 P CA 1.380 64.463 63.100 -0.029 0.000 0.808 165 P CB 0.414 32.098 31.700 -0.027 0.000 0.779 166 E N -0.122 120.084 120.200 0.011 0.000 2.409 166 E HA 0.208 4.558 4.350 -0.000 0.000 0.198 166 E C 1.155 177.776 176.600 0.034 0.000 1.024 166 E CA 0.906 57.329 56.400 0.038 0.000 0.861 166 E CB -0.711 29.040 29.700 0.085 0.000 0.788 166 E HN 0.380 nan 8.360 nan 0.000 0.521 167 G N -0.516 108.294 108.800 0.016 0.000 2.674 167 G HA2 0.217 4.177 3.960 -0.000 0.000 0.686 167 G HA3 0.217 4.177 3.960 -0.000 0.000 0.686 167 G C -0.235 174.685 174.900 0.033 0.000 1.195 167 G CA -0.454 44.658 45.100 0.021 0.000 0.776 167 G HN 0.629 nan 8.290 nan 0.000 0.654 168 S N -0.479 115.248 115.700 0.045 0.000 2.671 168 S HA 0.747 5.217 4.470 -0.000 0.000 0.270 168 S C -0.468 174.203 174.600 0.118 0.000 1.166 168 S CA 0.101 58.350 58.200 0.081 0.000 0.868 168 S CB 1.319 64.558 63.200 0.064 0.000 1.190 168 S HN 2.054 nan 8.310 nan 0.000 0.494 169 E N 1.519 121.824 120.200 0.175 0.000 2.392 169 E HA 0.320 4.670 4.350 -0.000 0.000 0.259 169 E C -0.865 175.891 176.600 0.259 0.000 1.108 169 E CA -0.432 56.073 56.400 0.176 0.000 0.916 169 E CB 0.124 29.919 29.700 0.158 0.000 0.989 169 E HN 0.735 nan 8.360 nan 0.000 0.432 170 N N 0.879 119.682 118.700 0.172 0.000 2.295 170 N HA 0.389 5.129 4.740 -0.000 0.000 0.293 170 N C -1.422 174.127 175.510 0.066 0.000 1.040 170 N CA -0.548 52.611 53.050 0.183 0.000 0.840 170 N CB 2.070 40.612 38.487 0.091 0.000 1.468 170 N HN 0.633 nan 8.380 nan 0.000 0.478 171 D N -0.217 120.178 120.400 -0.009 0.000 0.000 171 D HA 0.128 4.768 4.640 -0.000 0.000 0.000 171 D C 0.680 176.969 176.300 -0.019 0.000 0.000 171 D CA -0.697 53.296 54.000 -0.012 0.000 0.000 171 D CB 0.549 41.298 40.800 -0.086 0.000 0.000 171 D HN 0.196 nan 8.370 nan 0.000 0.000 172 M N 0.156 119.826 119.600 0.117 0.000 2.143 172 M HA -0.038 4.442 4.480 -0.000 0.000 0.258 172 M C 1.815 178.131 176.300 0.027 0.000 1.071 172 M CA 1.862 57.246 55.300 0.140 0.000 1.088 172 M CB -0.392 32.273 32.600 0.109 0.000 1.360 172 M HN 0.479 nan 8.290 nan 0.000 0.404 173 R N -1.321 119.093 120.500 -0.144 0.000 2.096 173 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 173 R C 2.092 178.424 176.300 0.053 0.000 1.139 173 R CA 2.093 58.111 56.100 -0.135 0.000 0.952 173 R CB -0.751 29.316 30.300 -0.389 0.000 0.854 173 R HN 0.441 nan 8.270 nan 0.000 0.436 174 F N -0.311 119.685 119.950 0.077 0.000 2.558 174 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 174 F C 2.231 177.959 175.800 -0.121 0.000 1.119 174 F CA -0.125 57.876 58.000 0.002 0.000 1.451 174 F CB 0.021 39.047 39.000 0.044 0.000 1.091 174 F HN -0.159 nan 8.300 nan 0.000 0.563 175 V N -0.441 119.561 119.914 0.147 0.000 2.427 175 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 175 V C 2.022 178.108 176.094 -0.012 0.000 1.051 175 V CA 1.708 64.055 62.300 0.078 0.000 1.048 175 V CB -0.743 31.212 31.823 0.219 0.000 0.666 175 V HN 0.379 nan 8.190 nan 0.000 0.456 176 Y N 0.253 120.521 120.300 -0.054 0.000 2.200 176 Y HA -0.254 4.296 4.550 -0.000 0.000 0.290 176 Y C 2.527 178.295 175.900 -0.221 0.000 1.137 176 Y CA 1.594 59.637 58.100 -0.096 0.000 1.163 176 Y CB -0.725 37.712 38.460 -0.038 0.000 0.988 176 Y HN 0.235 nan 8.280 nan 0.000 0.518 177 C N 0.338 119.451 119.300 -0.311 0.000 2.432 177 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 177 C C 3.083 177.781 174.990 -0.486 0.000 1.249 177 C CA 1.275 60.002 59.018 -0.486 0.000 1.725 177 C CB -1.744 25.934 27.740 -0.103 0.000 2.028 177 C HN 0.737 nan 8.230 nan 0.000 0.477 178 A N 0.359 122.864 122.820 -0.525 0.000 1.883 178 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 178 A C 2.263 179.590 177.584 -0.427 0.000 1.186 178 A CA 2.403 54.054 52.037 -0.643 0.000 0.624 178 A CB -0.867 17.267 19.000 -1.444 0.000 0.822 178 A HN 0.564 nan 8.150 nan 0.000 0.444 179 S N -0.925 114.585 115.700 -0.317 0.000 2.359 179 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 179 S C 1.953 176.374 174.600 -0.299 0.000 1.035 179 S CA 1.471 59.597 58.200 -0.123 0.000 1.018 179 S CB -0.733 62.505 63.200 0.063 0.000 0.876 179 S HN 0.716 nan 8.310 nan 0.000 0.448 180 C N 1.239 120.250 119.300 -0.482 0.000 2.425 180 C HA 0.023 4.483 4.460 -0.000 0.000 0.277 180 C C 2.441 177.310 174.990 -0.202 0.000 1.280 180 C CA 0.239 59.019 59.018 -0.396 0.000 1.744 180 C CB -1.367 25.933 27.740 -0.732 0.000 1.989 180 C HN 0.546 nan 8.230 nan 0.000 0.491 181 I N 0.045 120.464 120.570 -0.252 0.000 2.142 181 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 181 I C 2.594 178.556 176.117 -0.259 0.000 1.078 181 I CA 1.506 62.701 61.300 -0.175 0.000 1.343 181 I CB -0.579 37.320 38.000 -0.169 0.000 1.046 181 I HN 0.351 nan 8.210 nan 0.000 0.405 182 C N -0.189 118.827 119.300 -0.474 0.000 2.413 182 C HA -0.241 4.219 4.460 -0.000 0.000 0.276 182 C C 2.804 177.269 174.990 -0.875 0.000 1.248 182 C CA 0.806 59.345 59.018 -0.798 0.000 1.742 182 C CB -1.089 25.846 27.740 -1.341 0.000 2.017 182 C HN 0.510 nan 8.230 nan 0.000 0.481 183 Y N 0.927 120.748 120.300 -0.797 0.000 2.163 183 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 183 Y C 2.490 178.353 175.900 -0.062 0.000 1.136 183 Y CA 1.764 59.668 58.100 -0.326 0.000 1.147 183 Y CB -0.347 38.073 38.460 -0.068 0.000 0.987 183 Y HN 0.243 nan 8.280 nan 0.000 0.509 184 M N -0.639 119.031 119.600 0.116 0.000 2.132 184 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 184 M C 1.757 178.220 176.300 0.272 0.000 1.065 184 M CA 1.431 56.842 55.300 0.184 0.000 1.122 184 M CB -0.284 32.390 32.600 0.123 0.000 1.365 184 M HN 0.232 nan 8.290 nan 0.000 0.411 185 L N 0.132 121.424 121.223 0.116 0.000 2.610 185 L HA -0.008 4.332 4.340 -0.000 0.000 0.232 185 L C 0.391 177.337 176.870 0.127 0.000 1.149 185 L CA -0.109 54.840 54.840 0.181 0.000 0.872 185 L CB -1.001 41.058 42.059 0.000 0.000 0.992 185 L HN 0.459 nan 8.230 nan 0.000 0.447 186 N N 2.030 120.668 118.700 -0.104 0.000 2.707 186 N HA -0.269 4.471 4.740 -0.000 0.000 0.253 186 N C -0.447 174.946 175.510 -0.195 0.000 0.998 186 N CA 0.438 53.265 53.050 -0.371 0.000 0.751 186 N CB -0.811 37.183 38.487 -0.822 0.000 0.920 186 N HN 0.472 nan 8.380 nan 0.000 0.539 187 N N -0.009 118.535 118.700 -0.260 0.000 2.578 187 N HA 0.150 4.890 4.740 -0.000 0.000 0.282 187 N C -0.853 174.520 175.510 -0.228 0.000 1.119 187 N CA -0.548 52.425 53.050 -0.128 0.000 0.948 187 N CB 0.100 38.541 38.487 -0.076 0.000 1.546 187 N HN 0.274 nan 8.380 nan 0.000 0.525 188 W N 2.042 123.343 121.300 0.001 0.000 3.400 188 W HA 0.159 4.819 4.660 -0.000 0.000 0.347 188 W C 1.870 178.406 176.519 0.028 0.000 1.218 188 W CA -0.133 57.224 57.345 0.021 0.000 1.837 188 W CB 0.115 29.590 29.460 0.025 0.000 1.067 188 W HN 0.652 nan 8.180 nan 0.000 0.701 189 S N -1.309 114.474 115.700 0.137 0.000 2.555 189 S HA -0.016 4.454 4.470 -0.000 0.000 0.230 189 S C 1.969 176.622 174.600 0.087 0.000 0.978 189 S CA 0.890 59.151 58.200 0.102 0.000 0.934 189 S CB -0.459 62.773 63.200 0.053 0.000 0.766 189 S HN 0.271 nan 8.310 nan 0.000 0.533 190 G N 1.415 110.255 108.800 0.067 0.000 2.679 190 G HA2 0.284 4.244 3.960 -0.000 0.000 0.212 190 G HA3 0.284 4.244 3.960 -0.000 0.000 0.212 190 G C 0.375 175.378 174.900 0.172 0.000 1.137 190 G CA 0.624 45.764 45.100 0.066 0.000 0.787 190 G HN 0.758 nan 8.290 nan 0.000 0.534 191 M N -2.322 117.414 119.600 0.228 0.000 2.644 191 M HA 0.475 4.955 4.480 -0.000 0.000 0.273 191 M C -2.200 174.231 176.300 0.218 0.000 1.253 191 M CA -1.029 54.458 55.300 0.311 0.000 0.852 191 M CB 2.114 35.025 32.600 0.518 0.000 1.708 191 M HN -0.175 nan 8.290 nan 0.000 0.471 192 D N 2.259 122.747 120.400 0.146 0.000 2.468 192 D HA 0.245 4.885 4.640 -0.000 0.000 0.218 192 D C 0.660 177.023 176.300 0.106 0.000 1.155 192 D CA -0.157 53.894 54.000 0.084 0.000 0.924 192 D CB 0.888 41.697 40.800 0.017 0.000 1.029 192 D HN 0.847 nan 8.370 nan 0.000 0.515 193 M N 3.415 123.087 119.600 0.121 0.000 2.106 193 M HA -0.221 4.259 4.480 -0.000 0.000 0.259 193 M C 1.875 178.197 176.300 0.036 0.000 1.068 193 M CA 1.558 56.910 55.300 0.088 0.000 1.100 193 M CB 0.137 32.740 32.600 0.006 0.000 1.351 193 M HN 0.256 nan 8.290 nan 0.000 0.404 194 K N 0.153 120.562 120.400 0.015 0.000 2.032 194 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 194 K C 1.821 178.429 176.600 0.013 0.000 1.048 194 K CA 1.716 58.002 56.287 -0.002 0.000 0.927 194 K CB -0.027 32.468 32.500 -0.008 0.000 0.712 194 K HN 0.376 nan 8.250 nan 0.000 0.441 195 K N -0.160 120.253 120.400 0.023 0.000 2.097 195 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 195 K C 2.148 178.790 176.600 0.070 0.000 1.050 195 K CA 1.050 57.353 56.287 0.027 0.000 0.938 195 K CB -0.080 32.414 32.500 -0.009 0.000 0.718 195 K HN 0.194 nan 8.250 nan 0.000 0.442 196 A N 1.661 124.540 122.820 0.098 0.000 1.877 196 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 196 A C 2.107 179.788 177.584 0.163 0.000 1.186 196 A CA 1.214 53.358 52.037 0.178 0.000 0.620 196 A CB -0.573 18.585 19.000 0.264 0.000 0.822 196 A HN 0.158 nan 8.150 nan 0.000 0.443 197 I N -0.511 120.105 120.570 0.077 0.000 2.208 197 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 197 I C 2.845 178.962 176.117 -0.001 0.000 1.097 197 I CA 1.546 62.849 61.300 0.004 0.000 1.363 197 I CB -0.270 37.694 38.000 -0.061 0.000 1.051 197 I HN 0.441 nan 8.210 nan 0.000 0.413 198 S N 0.161 115.877 115.700 0.027 0.000 2.368 198 S HA -0.276 4.194 4.470 -0.000 0.000 0.225 198 S C 2.177 176.810 174.600 0.056 0.000 1.030 198 S CA 1.397 59.610 58.200 0.022 0.000 0.999 198 S CB -0.454 62.765 63.200 0.032 0.000 0.844 198 S HN 0.494 nan 8.310 nan 0.000 0.459 199 Y N 1.811 122.113 120.300 0.002 0.000 2.181 199 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 199 Y C 1.939 177.853 175.900 0.024 0.000 1.146 199 Y CA 1.840 59.951 58.100 0.018 0.000 1.164 199 Y CB -0.386 38.097 38.460 0.039 0.000 0.982 199 Y HN 0.305 nan 8.280 nan 0.000 0.515 200 I N -0.281 120.357 120.570 0.114 0.000 2.226 200 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 200 I C 2.564 178.687 176.117 0.011 0.000 1.100 200 I CA 1.426 62.758 61.300 0.054 0.000 1.374 200 I CB -0.444 37.610 38.000 0.090 0.000 1.057 200 I HN 0.176 nan 8.210 nan 0.000 0.413 201 R N 0.685 121.169 120.500 -0.027 0.000 2.073 201 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 201 R C 2.334 178.634 176.300 0.000 0.000 1.134 201 R CA 1.211 57.321 56.100 0.017 0.000 0.952 201 R CB -0.256 30.005 30.300 -0.065 0.000 0.850 201 R HN 0.340 nan 8.270 nan 0.000 0.433 202 R N 0.440 120.890 120.500 -0.085 0.000 2.341 202 R HA -0.049 4.291 4.340 -0.000 0.000 0.213 202 R C 1.981 178.171 176.300 -0.182 0.000 1.082 202 R CA 1.293 57.320 56.100 -0.121 0.000 1.017 202 R CB -0.031 30.187 30.300 -0.137 0.000 0.860 202 R HN 0.246 nan 8.270 nan 0.000 0.473 203 S N -0.302 115.261 115.700 -0.227 0.000 2.548 203 S HA 0.029 4.499 4.470 -0.000 0.000 0.215 203 S C 0.877 175.372 174.600 -0.175 0.000 0.976 203 S CA -0.338 57.715 58.200 -0.244 0.000 0.908 203 S CB 0.031 63.050 63.200 -0.301 0.000 0.781 203 S HN 0.181 nan 8.310 nan 0.000 0.519 204 M N 3.218 122.745 119.600 -0.121 0.000 2.246 204 M HA 0.246 4.725 4.480 -0.000 0.000 0.350 204 M C 0.357 176.556 176.300 -0.168 0.000 1.406 204 M CA -0.010 55.193 55.300 -0.162 0.000 1.089 204 M CB 0.758 33.298 32.600 -0.099 0.000 1.782 204 M HN 0.320 nan 8.290 nan 0.000 0.457 205 S N 3.657 119.201 115.700 -0.261 0.000 2.655 205 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 205 S C 0.741 175.201 174.600 -0.233 0.000 1.240 205 S CA -0.394 57.652 58.200 -0.257 0.000 0.986 205 S CB 0.481 63.431 63.200 -0.416 0.000 0.985 205 S HN 0.749 nan 8.310 nan 0.000 0.562 206 Y N 0.634 120.894 120.300 -0.067 0.000 2.421 206 Y HA 0.089 4.639 4.550 -0.000 0.000 0.292 206 Y C 1.447 177.333 175.900 -0.022 0.000 1.136 206 Y CA 1.182 59.260 58.100 -0.038 0.000 1.255 206 Y CB -0.737 37.712 38.460 -0.019 0.000 0.991 206 Y HN 0.638 nan 8.280 nan 0.000 0.552 207 D N -1.219 118.724 120.400 -0.763 0.000 2.328 207 D HA -0.037 4.602 4.640 -0.000 0.000 0.226 207 D C 0.235 176.433 176.300 -0.171 0.000 1.066 207 D CA 0.416 54.203 54.000 -0.355 0.000 0.861 207 D CB -0.589 40.000 40.800 -0.352 0.000 0.912 207 D HN 0.406 nan 8.370 nan 0.000 0.521 208 N N -1.134 117.394 118.700 -0.287 0.000 2.984 208 N HA -0.095 4.645 4.740 -0.000 0.000 0.227 208 N C 0.679 175.870 175.510 -0.533 0.000 0.903 208 N CA 1.199 54.077 53.050 -0.286 0.000 0.995 208 N CB -1.507 36.918 38.487 -0.103 0.000 1.065 208 N HN 0.495 nan 8.380 nan 0.000 0.585 209 G N -0.089 108.086 108.800 -1.041 0.000 2.557 209 G HA2 0.610 4.570 3.960 -0.000 0.000 0.292 209 G HA3 0.610 4.570 3.960 -0.000 0.000 0.292 209 G C -0.312 174.065 174.900 -0.872 0.000 1.237 209 G CA -0.344 43.825 45.100 -1.553 0.000 0.978 209 G HN 0.031 nan 8.290 nan 0.000 0.498 210 L N 0.152 120.941 121.223 -0.724 0.000 2.317 210 L HA 0.713 5.052 4.340 -0.000 0.000 0.281 210 L C 0.744 177.418 176.870 -0.326 0.000 1.024 210 L CA -0.597 54.004 54.840 -0.398 0.000 0.810 210 L CB 1.263 43.175 42.059 -0.246 0.000 1.240 210 L HN 0.720 nan 8.230 nan 0.000 0.427 211 A N 1.916 124.598 122.820 -0.230 0.000 2.352 211 A HA 0.521 4.841 4.320 -0.000 0.000 0.299 211 A C 0.733 178.256 177.584 -0.102 0.000 1.160 211 A CA -0.330 51.617 52.037 -0.151 0.000 0.933 211 A CB 0.677 19.598 19.000 -0.133 0.000 1.387 211 A HN 0.685 nan 8.150 nan 0.000 0.487 212 Q N -0.655 119.103 119.800 -0.069 0.000 2.224 212 Q HA 0.084 4.424 4.340 -0.000 0.000 0.203 212 Q C 0.756 176.780 176.000 0.040 0.000 0.970 212 Q CA 1.435 57.222 55.803 -0.027 0.000 0.865 212 Q CB -0.025 28.684 28.738 -0.048 0.000 0.922 212 Q HN 0.906 nan 8.270 nan 0.000 0.445 213 G N -1.449 107.325 108.800 -0.044 0.000 2.559 213 G HA2 0.512 4.471 3.960 -0.000 0.000 0.291 213 G HA3 0.512 4.471 3.960 -0.000 0.000 0.291 213 G C -1.568 173.234 174.900 -0.164 0.000 1.424 213 G CA -0.383 44.647 45.100 -0.117 0.000 0.786 213 G HN 0.141 nan 8.290 nan 0.000 0.485 214 A N -0.809 121.886 122.820 -0.209 0.000 2.567 214 A HA 0.517 4.837 4.320 -0.000 0.000 0.240 214 A C 1.766 179.315 177.584 -0.057 0.000 1.053 214 A CA 1.807 53.765 52.037 -0.133 0.000 0.755 214 A CB -0.379 18.555 19.000 -0.110 0.000 0.978 214 A HN 2.844 nan 8.150 nan 0.000 0.507 215 G N 0.919 109.696 108.800 -0.038 0.000 2.304 215 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.252 215 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.252 215 G C 0.191 175.098 174.900 0.012 0.000 1.014 215 G CA 0.407 45.508 45.100 0.003 0.000 0.619 215 G HN 0.784 nan 8.290 nan 0.000 0.525 216 L N 1.315 122.530 121.223 -0.014 0.000 2.476 216 L HA 0.471 4.811 4.340 -0.000 0.000 0.255 216 L C 1.067 177.927 176.870 -0.016 0.000 1.218 216 L CA -0.542 54.293 54.840 -0.007 0.000 0.819 216 L CB 0.565 42.613 42.059 -0.019 0.000 1.119 216 L HN 0.473 nan 8.230 nan 0.000 0.485 217 E N 0.341 120.544 120.200 0.005 0.000 2.366 217 E HA 0.106 4.456 4.350 -0.000 0.000 0.266 217 E C -0.338 176.242 176.600 -0.033 0.000 1.015 217 E CA -0.406 55.998 56.400 0.007 0.000 0.906 217 E CB 0.658 30.389 29.700 0.053 0.000 0.979 217 E HN 0.635 nan 8.360 nan 0.000 0.443 218 S N 4.487 120.113 115.700 -0.123 0.000 2.568 218 S HA 0.055 4.525 4.470 -0.000 0.000 0.282 218 S C -0.182 174.398 174.600 -0.033 0.000 1.338 218 S CA -0.445 57.601 58.200 -0.258 0.000 1.045 218 S CB 0.882 63.685 63.200 -0.662 0.000 0.873 218 S HN 0.656 nan 8.310 nan 0.000 0.516 219 H N 0.448 119.410 119.070 -0.181 0.000 2.930 219 H HA 0.365 4.921 4.556 -0.000 0.000 0.371 219 H C 1.169 176.541 175.328 0.075 0.000 1.169 219 H CA -0.036 56.025 56.048 0.022 0.000 1.157 219 H CB 1.679 31.418 29.762 -0.038 0.000 1.789 219 H HN 0.735 nan 8.280 nan 0.000 0.547 220 G N 1.734 110.490 108.800 -0.073 0.000 2.442 220 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 220 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 220 G C 1.459 176.463 174.900 0.173 0.000 1.141 220 G CA 0.868 46.038 45.100 0.117 0.000 0.763 220 G HN 0.653 nan 8.290 nan 0.000 0.554 221 G N 0.923 109.875 108.800 0.254 0.000 2.404 221 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 221 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 221 G C 2.203 177.034 174.900 -0.116 0.000 1.174 221 G CA 1.763 46.753 45.100 -0.185 0.000 0.780 221 G HN 0.612 nan 8.290 nan 0.000 0.537 222 S N 0.044 115.735 115.700 -0.014 0.000 2.428 222 S HA -0.069 4.400 4.470 -0.000 0.000 0.230 222 S C 2.206 176.777 174.600 -0.048 0.000 1.014 222 S CA 1.700 59.866 58.200 -0.056 0.000 0.957 222 S CB -0.510 62.652 63.200 -0.064 0.000 0.784 222 S HN 0.269 nan 8.310 nan 0.000 0.499 223 T N 2.083 116.613 114.554 -0.040 0.000 2.777 223 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 223 T C 1.266 175.963 174.700 -0.005 0.000 1.040 223 T CA 1.306 63.362 62.100 -0.073 0.000 1.141 223 T CB -0.500 68.308 68.868 -0.100 0.000 0.868 223 T HN 0.497 nan 8.240 nan 0.000 0.444 224 F N 1.494 121.414 119.950 -0.050 0.000 2.102 224 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 224 F C 2.412 178.153 175.800 -0.099 0.000 1.105 224 F CA 0.708 58.678 58.000 -0.049 0.000 1.239 224 F CB -0.883 38.136 39.000 0.032 0.000 0.991 224 F HN 0.149 nan 8.300 nan 0.000 0.474 225 C N 1.012 120.166 119.300 -0.242 0.000 2.413 225 C HA -0.120 4.340 4.460 -0.000 0.000 0.276 225 C C 3.103 178.002 174.990 -0.152 0.000 1.248 225 C CA 1.321 60.159 59.018 -0.300 0.000 1.742 225 C CB -1.968 25.734 27.740 -0.064 0.000 2.017 225 C HN 0.749 nan 8.230 nan 0.000 0.481 226 G N 0.567 109.321 108.800 -0.077 0.000 2.414 226 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 226 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 226 G C 1.377 176.276 174.900 -0.003 0.000 1.188 226 G CA 0.737 45.843 45.100 0.011 0.000 0.783 226 G HN 0.362 nan 8.290 nan 0.000 0.537 227 I N 2.035 122.570 120.570 -0.057 0.000 2.226 227 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 227 I C 3.244 179.297 176.117 -0.106 0.000 1.100 227 I CA 1.268 62.547 61.300 -0.034 0.000 1.374 227 I CB -1.347 36.626 38.000 -0.045 0.000 1.057 227 I HN 0.261 nan 8.210 nan 0.000 0.413 228 A N 0.197 122.825 122.820 -0.321 0.000 1.930 228 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 228 A C 2.598 180.181 177.584 -0.001 0.000 1.175 228 A CA 1.900 53.770 52.037 -0.277 0.000 0.627 228 A CB -0.693 17.827 19.000 -0.800 0.000 0.815 228 A HN 0.401 nan 8.150 nan 0.000 0.443 229 S N -0.059 115.676 115.700 0.057 0.000 2.359 229 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 229 S C 1.828 176.482 174.600 0.090 0.000 1.035 229 S CA 1.529 59.811 58.200 0.137 0.000 1.018 229 S CB -0.468 62.822 63.200 0.149 0.000 0.876 229 S HN 0.526 nan 8.310 nan 0.000 0.448 230 L N 0.551 121.800 121.223 0.043 0.000 2.083 230 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 230 L C 2.569 179.445 176.870 0.009 0.000 1.083 230 L CA 0.833 55.676 54.840 0.005 0.000 0.752 230 L CB -0.718 41.344 42.059 0.005 0.000 0.899 230 L HN 0.429 nan 8.230 nan 0.000 0.433 231 C N -0.607 118.712 119.300 0.031 0.000 2.446 231 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 231 C C 2.645 177.677 174.990 0.071 0.000 1.275 231 C CA 0.113 59.158 59.018 0.044 0.000 1.727 231 C CB -0.689 27.077 27.740 0.042 0.000 2.010 231 C HN 0.389 nan 8.230 nan 0.000 0.486 232 L N 0.280 121.557 121.223 0.089 0.000 2.127 232 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 232 L C 2.338 179.389 176.870 0.301 0.000 1.089 232 L CA 1.833 56.769 54.840 0.160 0.000 0.757 232 L CB -0.729 41.437 42.059 0.179 0.000 0.899 232 L HN 0.373 nan 8.230 nan 0.000 0.434 233 M N -1.642 117.973 119.600 0.026 0.000 2.506 233 M HA 0.156 4.636 4.480 -0.000 0.000 0.260 233 M C 1.209 177.376 176.300 -0.222 0.000 1.104 233 M CA 0.776 55.839 55.300 -0.395 0.000 1.112 233 M CB -0.151 32.187 32.600 -0.438 0.000 1.401 233 M HN 0.351 nan 8.290 nan 0.000 0.473 234 G N 2.039 110.808 108.800 -0.051 0.000 2.272 234 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 234 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 234 G C 0.257 175.121 174.900 -0.061 0.000 1.067 234 G CA 0.243 45.330 45.100 -0.021 0.000 0.902 234 G HN 0.525 nan 8.290 nan 0.000 0.500 235 K N -0.741 119.616 120.400 -0.071 0.000 2.644 235 K HA 0.343 4.662 4.320 -0.000 0.000 0.198 235 K C 1.984 178.543 176.600 -0.067 0.000 1.113 235 K CA -0.504 55.732 56.287 -0.084 0.000 1.073 235 K CB 0.287 32.709 32.500 -0.130 0.000 0.811 235 K HN 0.324 nan 8.250 nan 0.000 0.508 236 L N 1.397 122.610 121.223 -0.018 0.000 1.955 236 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 236 L C 1.819 178.712 176.870 0.038 0.000 1.072 236 L CA 1.817 56.676 54.840 0.031 0.000 0.755 236 L CB 0.018 42.119 42.059 0.069 0.000 0.888 236 L HN 0.328 nan 8.230 nan 0.000 0.432 237 E N -0.266 119.955 120.200 0.034 0.000 2.130 237 E HA -0.321 4.029 4.350 -0.000 0.000 0.196 237 E C 1.882 178.487 176.600 0.008 0.000 0.998 237 E CA 1.609 58.031 56.400 0.037 0.000 0.806 237 E CB -0.258 29.459 29.700 0.027 0.000 0.738 237 E HN 0.607 nan 8.360 nan 0.000 0.459 238 E N 0.652 120.834 120.200 -0.029 0.000 2.107 238 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 238 E C 2.041 178.582 176.600 -0.098 0.000 0.982 238 E CA 0.776 57.144 56.400 -0.054 0.000 0.809 238 E CB 0.327 29.988 29.700 -0.066 0.000 0.756 238 E HN 0.026 nan 8.360 nan 0.000 0.459 239 V N 0.279 120.088 119.914 -0.174 0.000 2.535 239 V HA 0.000 4.120 4.120 -0.000 0.000 0.246 239 V C 0.700 176.542 176.094 -0.420 0.000 1.045 239 V CA 0.967 63.053 62.300 -0.357 0.000 1.058 239 V CB -0.161 31.327 31.823 -0.558 0.000 0.689 239 V HN 0.105 nan 8.190 nan 0.000 0.461 240 F N 0.423 120.363 119.950 -0.017 0.000 2.469 240 F HA 0.483 5.010 4.527 -0.000 0.000 0.332 240 F C 0.868 176.663 175.800 -0.008 0.000 1.103 240 F CA -0.759 57.232 58.000 -0.015 0.000 0.979 240 F CB 1.579 40.568 39.000 -0.018 0.000 1.137 240 F HN -0.021 nan 8.300 nan 0.000 0.463 241 S N 0.977 116.800 115.700 0.205 0.000 2.608 241 S HA 0.060 4.530 4.470 -0.000 0.000 0.261 241 S C 1.121 175.779 174.600 0.097 0.000 1.314 241 S CA -0.398 57.868 58.200 0.110 0.000 0.992 241 S CB 1.177 64.425 63.200 0.079 0.000 0.935 241 S HN 0.877 nan 8.310 nan 0.000 0.564 242 E N 0.757 120.995 120.200 0.064 0.000 2.110 242 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 242 E C 1.942 178.564 176.600 0.038 0.000 0.988 242 E CA 1.314 57.745 56.400 0.050 0.000 0.804 242 E CB -0.192 29.531 29.700 0.038 0.000 0.745 242 E HN 0.757 nan 8.360 nan 0.000 0.458 243 K N 0.431 120.851 120.400 0.034 0.000 2.057 243 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 243 K C 2.026 178.631 176.600 0.007 0.000 1.049 243 K CA 1.716 58.016 56.287 0.021 0.000 0.931 243 K CB 0.058 32.571 32.500 0.021 0.000 0.714 243 K HN 0.131 nan 8.250 nan 0.000 0.440 244 E N 0.375 120.585 120.200 0.017 0.000 2.051 244 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 244 E C 1.989 178.520 176.600 -0.116 0.000 0.991 244 E CA 1.208 57.584 56.400 -0.039 0.000 0.799 244 E CB -0.016 29.710 29.700 0.043 0.000 0.748 244 E HN 0.263 nan 8.360 nan 0.000 0.449 245 L N 0.880 122.075 121.223 -0.046 0.000 2.131 245 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 245 L C 1.914 178.767 176.870 -0.028 0.000 1.092 245 L CA 1.091 55.900 54.840 -0.051 0.000 0.759 245 L CB -0.406 41.674 42.059 0.034 0.000 0.903 245 L HN 0.205 nan 8.230 nan 0.000 0.435 246 N N -0.403 118.293 118.700 -0.007 0.000 2.188 246 N HA -0.136 4.603 4.740 -0.000 0.000 0.184 246 N C 1.890 177.401 175.510 0.003 0.000 1.018 246 N CA 0.688 53.743 53.050 0.008 0.000 0.858 246 N CB 0.013 38.507 38.487 0.011 0.000 0.989 246 N HN 0.297 nan 8.380 nan 0.000 0.426 247 R N 0.736 121.224 120.500 -0.020 0.000 2.092 247 R HA 0.010 4.350 4.340 -0.000 0.000 0.231 247 R C 2.113 178.411 176.300 -0.003 0.000 1.119 247 R CA 0.854 56.946 56.100 -0.013 0.000 0.970 247 R CB -0.259 30.017 30.300 -0.040 0.000 0.864 247 R HN 0.271 nan 8.270 nan 0.000 0.440 248 I N 1.091 121.615 120.570 -0.075 0.000 2.202 248 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 248 I C 2.112 178.271 176.117 0.071 0.000 1.091 248 I CA 1.419 62.676 61.300 -0.070 0.000 1.368 248 I CB -0.228 37.633 38.000 -0.233 0.000 1.058 248 I HN 0.116 nan 8.210 nan 0.000 0.410 249 K N 0.424 120.854 120.400 0.049 0.000 2.063 249 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 249 K C 2.248 178.914 176.600 0.109 0.000 1.048 249 K CA 1.536 57.878 56.287 0.091 0.000 0.928 249 K CB -0.247 32.299 32.500 0.077 0.000 0.713 249 K HN 0.059 nan 8.250 nan 0.000 0.442 250 R N 0.476 121.029 120.500 0.088 0.000 2.091 250 R HA -0.184 4.155 4.340 -0.000 0.000 0.238 250 R C 1.841 178.197 176.300 0.093 0.000 1.136 250 R CA 1.668 57.811 56.100 0.071 0.000 0.959 250 R CB -0.756 29.576 30.300 0.053 0.000 0.856 250 R HN 0.409 nan 8.270 nan 0.000 0.437 251 W N -0.300 120.979 121.300 -0.035 0.000 2.358 251 W HA -0.193 4.467 4.660 -0.000 0.000 0.303 251 W C 2.010 178.524 176.519 -0.008 0.000 1.208 251 W CA 1.648 58.968 57.345 -0.041 0.000 1.274 251 W CB -0.499 28.911 29.460 -0.083 0.000 1.138 251 W HN 0.144 nan 8.180 nan 0.000 0.515 252 C N -0.221 119.274 119.300 0.323 0.000 2.453 252 C HA -0.175 4.284 4.460 -0.000 0.000 0.277 252 C C 2.658 177.694 174.990 0.075 0.000 1.262 252 C CA 1.134 60.283 59.018 0.220 0.000 1.718 252 C CB -1.509 26.392 27.740 0.269 0.000 2.031 252 C HN 0.437 nan 8.230 nan 0.000 0.480 253 I N 0.496 121.119 120.570 0.088 0.000 2.756 253 I HA -0.137 4.033 4.170 -0.000 0.000 0.262 253 I C 2.019 178.116 176.117 -0.033 0.000 1.225 253 I CA 1.094 62.445 61.300 0.085 0.000 1.472 253 I CB -0.068 37.986 38.000 0.089 0.000 1.094 253 I HN 0.263 nan 8.210 nan 0.000 0.454 254 M N -0.227 119.298 119.600 -0.126 0.000 2.619 254 M HA -0.011 4.469 4.480 -0.000 0.000 0.251 254 M C 1.677 177.814 176.300 -0.271 0.000 1.106 254 M CA 0.843 56.022 55.300 -0.201 0.000 1.086 254 M CB -0.819 31.639 32.600 -0.237 0.000 1.465 254 M HN 0.160 nan 8.290 nan 0.000 0.506 255 R N 0.276 120.622 120.500 -0.256 0.000 2.236 255 R HA 0.046 4.386 4.340 -0.000 0.000 0.208 255 R C 0.885 176.918 176.300 -0.446 0.000 1.036 255 R CA 0.172 56.120 56.100 -0.253 0.000 1.001 255 R CB -0.565 29.704 30.300 -0.052 0.000 0.896 255 R HN 0.537 nan 8.270 nan 0.000 0.464 256 Q N 1.046 120.573 119.800 -0.455 0.000 2.288 256 Q HA 0.002 4.341 4.340 -0.000 0.000 0.258 256 Q C 0.196 175.855 176.000 -0.568 0.000 0.957 256 Q CA 0.039 55.350 55.803 -0.820 0.000 0.919 256 Q CB 0.917 29.106 28.738 -0.914 0.000 1.185 256 Q HN -0.028 nan 8.270 nan 0.000 0.408 257 Q N 2.613 122.081 119.800 -0.553 0.000 2.471 257 Q HA 0.120 4.460 4.340 -0.000 0.000 0.241 257 Q C 0.205 176.036 176.000 -0.281 0.000 0.886 257 Q CA 1.380 56.954 55.803 -0.381 0.000 0.953 257 Q CB 0.613 29.126 28.738 -0.376 0.000 1.108 257 Q HN 0.878 nan 8.270 nan 0.000 0.575 258 N N -1.039 117.476 118.700 -0.309 0.000 2.529 258 N HA 0.057 4.797 4.740 -0.000 0.000 0.328 258 N C 0.773 176.165 175.510 -0.197 0.000 0.606 258 N CA 0.395 53.341 53.050 -0.172 0.000 1.182 258 N CB -0.206 38.244 38.487 -0.062 0.000 1.946 258 N HN 0.096 nan 8.380 nan 0.000 1.584 259 G N -1.005 107.622 108.800 -0.289 0.000 2.606 259 G HA2 0.577 4.537 3.960 -0.000 0.000 0.262 259 G HA3 0.577 4.537 3.960 -0.000 0.000 0.262 259 G C -1.462 173.251 174.900 -0.313 0.000 1.394 259 G CA -0.340 44.632 45.100 -0.214 0.000 1.044 259 G HN 0.125 nan 8.290 nan 0.000 0.553 260 Y N -0.647 119.596 120.300 -0.094 0.000 2.485 260 Y HA 0.444 4.994 4.550 -0.000 0.000 0.345 260 Y C 0.664 176.606 175.900 0.069 0.000 0.998 260 Y CA -0.849 57.223 58.100 -0.047 0.000 1.059 260 Y CB 1.737 40.243 38.460 0.076 0.000 1.234 260 Y HN 0.714 nan 8.280 nan 0.000 0.461 261 H N -1.459 117.622 119.070 0.017 0.000 2.595 261 H HA 0.592 5.148 4.556 -0.000 0.000 0.346 261 H C 0.528 175.472 175.328 -0.641 0.000 1.181 261 H CA -0.839 55.130 56.048 -0.133 0.000 1.242 261 H CB 1.938 31.621 29.762 -0.132 0.000 1.652 261 H HN 0.821 nan 8.280 nan 0.000 0.548 262 G N 0.271 108.440 108.800 -1.052 0.000 2.551 262 G HA2 0.055 4.015 3.960 -0.000 0.000 0.216 262 G HA3 0.055 4.015 3.960 -0.000 0.000 0.216 262 G C 0.244 174.590 174.900 -0.923 0.000 1.137 262 G CA -0.174 43.986 45.100 -1.567 0.000 0.798 262 G HN 0.764 nan 8.290 nan 0.000 0.536 263 R N -1.439 118.602 120.500 -0.765 0.000 2.690 263 R HA 0.386 4.725 4.340 -0.000 0.000 0.269 263 R C -3.495 172.298 176.300 -0.844 0.000 1.037 263 R CA -2.032 53.746 56.100 -0.536 0.000 0.877 263 R CB 0.266 30.452 30.300 -0.191 0.000 1.255 263 R HN -0.243 nan 8.270 nan 0.000 0.467 264 P HA -0.081 nan 4.420 nan 0.000 0.263 264 P C -0.534 176.611 177.300 -0.258 0.000 1.175 264 P CA 0.451 63.338 63.100 -0.355 0.000 0.761 264 P CB 0.223 31.842 31.700 -0.136 0.000 0.794 265 N N -0.583 118.043 118.700 -0.123 0.000 2.741 265 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 265 N C -0.362 175.117 175.510 -0.052 0.000 1.115 265 N CA 1.313 54.336 53.050 -0.044 0.000 0.724 265 N CB -0.752 37.718 38.487 -0.028 0.000 1.090 265 N HN 0.500 nan 8.380 nan 0.000 0.558 266 K N 0.374 120.708 120.400 -0.111 0.000 2.328 266 K HA 0.488 4.808 4.320 -0.000 0.000 0.246 266 K C -2.247 174.410 176.600 0.095 0.000 0.955 266 K CA -1.456 54.812 56.287 -0.033 0.000 0.817 266 K CB 2.069 34.514 32.500 -0.092 0.000 1.208 266 K HN -0.105 nan 8.250 nan 0.000 0.432 267 P HA 0.003 nan 4.420 nan 0.000 0.271 267 P C 0.191 177.644 177.300 0.254 0.000 1.218 267 P CA -0.425 62.744 63.100 0.115 0.000 0.780 267 P CB 0.537 32.227 31.700 -0.017 0.000 0.901 268 V N -0.683 119.319 119.914 0.148 0.000 3.096 268 V HA 0.403 4.523 4.120 -0.000 0.000 0.306 268 V C -0.068 176.274 176.094 0.414 0.000 1.088 268 V CA -0.018 62.370 62.300 0.147 0.000 1.129 268 V CB 0.650 32.304 31.823 -0.282 0.000 1.014 268 V HN 0.631 nan 8.190 nan 0.000 0.486 269 D N 1.729 122.419 120.400 0.483 0.000 2.970 269 D HA 0.321 4.961 4.640 -0.000 0.000 0.230 269 D C 0.779 177.327 176.300 0.413 0.000 1.276 269 D CA 0.017 54.317 54.000 0.500 0.000 0.910 269 D CB 2.192 43.269 40.800 0.462 0.000 1.590 269 D HN 0.638 nan 8.370 nan 0.000 0.551 270 T N 1.878 116.732 114.554 0.499 0.000 2.680 270 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 270 T C 2.016 176.801 174.700 0.142 0.000 1.033 270 T CA 2.375 64.712 62.100 0.395 0.000 1.152 270 T CB -0.635 68.423 68.868 0.317 0.000 0.859 270 T HN 0.781 nan 8.240 nan 0.000 0.452 271 C N 0.449 119.762 119.300 0.022 0.000 2.410 271 C HA -0.075 4.385 4.460 -0.000 0.000 0.281 271 C C 2.215 176.986 174.990 -0.365 0.000 1.318 271 C CA -0.101 58.730 59.018 -0.312 0.000 1.776 271 C CB -2.067 25.367 27.740 -0.510 0.000 1.942 271 C HN 0.507 nan 8.230 nan 0.000 0.508 272 Y N 2.020 122.410 120.300 0.151 0.000 2.509 272 Y HA 0.007 4.556 4.550 -0.000 0.000 0.293 272 Y C 2.848 178.685 175.900 -0.105 0.000 1.133 272 Y CA 1.217 59.401 58.100 0.140 0.000 1.283 272 Y CB -0.865 37.728 38.460 0.221 0.000 1.001 272 Y HN 0.353 nan 8.280 nan 0.000 0.555 273 S N -0.419 115.289 115.700 0.013 0.000 2.419 273 S HA -0.163 4.307 4.470 -0.000 0.000 0.233 273 S C 1.698 176.106 174.600 -0.321 0.000 1.016 273 S CA 1.191 59.306 58.200 -0.142 0.000 0.974 273 S CB -0.387 62.835 63.200 0.037 0.000 0.786 273 S HN 0.543 nan 8.310 nan 0.000 0.492 274 F N 0.121 119.795 119.950 -0.459 0.000 2.315 274 F HA 0.195 4.722 4.527 -0.000 0.000 0.284 274 F C 1.616 177.072 175.800 -0.573 0.000 1.049 274 F CA 0.133 57.779 58.000 -0.590 0.000 1.323 274 F CB -0.704 37.868 39.000 -0.713 0.000 1.113 274 F HN 0.166 nan 8.300 nan 0.000 0.544 275 W N 0.481 121.416 121.300 -0.609 0.000 2.301 275 W HA -0.248 4.412 4.660 -0.000 0.000 0.325 275 W C 2.355 178.644 176.519 -0.384 0.000 1.250 275 W CA 1.633 58.610 57.345 -0.613 0.000 1.261 275 W CB -0.982 28.368 29.460 -0.184 0.000 1.157 275 W HN -0.164 nan 8.180 nan 0.000 0.473 276 V N 0.288 120.201 119.914 -0.001 0.000 2.407 276 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 276 V C 2.366 178.295 176.094 -0.275 0.000 1.041 276 V CA 1.914 64.178 62.300 -0.061 0.000 1.040 276 V CB -1.562 30.247 31.823 -0.024 0.000 0.671 276 V HN 0.391 nan 8.190 nan 0.000 0.455 277 G N 0.088 108.544 108.800 -0.574 0.000 2.440 277 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 277 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 277 G C 1.748 176.243 174.900 -0.674 0.000 1.154 277 G CA 1.139 45.848 45.100 -0.651 0.000 0.767 277 G HN 0.596 nan 8.290 nan 0.000 0.552 278 A N 0.071 122.450 122.820 -0.734 0.000 1.969 278 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 278 A C 2.519 179.982 177.584 -0.201 0.000 1.169 278 A CA 2.352 54.024 52.037 -0.607 0.000 0.635 278 A CB -0.759 17.574 19.000 -1.113 0.000 0.810 278 A HN 0.304 nan 8.150 nan 0.000 0.445 279 T N 0.479 114.992 114.554 -0.069 0.000 2.777 279 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 279 T C 1.781 176.499 174.700 0.031 0.000 1.040 279 T CA 1.392 63.523 62.100 0.052 0.000 1.141 279 T CB -0.354 68.586 68.868 0.120 0.000 0.868 279 T HN 0.376 nan 8.240 nan 0.000 0.444 280 L N 0.522 121.765 121.223 0.033 0.000 2.083 280 L HA -0.081 4.258 4.340 -0.000 0.000 0.209 280 L C 2.622 179.565 176.870 0.122 0.000 1.083 280 L CA 1.059 55.978 54.840 0.133 0.000 0.752 280 L CB -0.391 41.836 42.059 0.281 0.000 0.899 280 L HN 0.139 nan 8.230 nan 0.000 0.433 281 K N 0.810 121.211 120.400 0.002 0.000 2.057 281 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 281 K C 1.960 178.564 176.600 0.006 0.000 1.050 281 K CA 1.462 57.744 56.287 -0.009 0.000 0.935 281 K CB -0.331 32.057 32.500 -0.186 0.000 0.715 281 K HN 0.155 nan 8.250 nan 0.000 0.439 282 L N 0.221 121.440 121.223 -0.007 0.000 2.131 282 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 282 L C 1.713 178.605 176.870 0.035 0.000 1.092 282 L CA 0.827 55.673 54.840 0.009 0.000 0.759 282 L CB -0.246 41.818 42.059 0.007 0.000 0.903 282 L HN 0.156 nan 8.230 nan 0.000 0.435 283 L N -0.509 120.746 121.223 0.054 0.000 2.612 283 L HA 0.036 4.376 4.340 -0.000 0.000 0.230 283 L C 0.572 177.493 176.870 0.085 0.000 1.140 283 L CA 0.049 54.932 54.840 0.070 0.000 0.896 283 L CB -0.246 41.860 42.059 0.078 0.000 1.065 283 L HN 0.199 nan 8.230 nan 0.000 0.447 284 K N 0.625 121.070 120.400 0.076 0.000 3.069 284 K HA -0.202 4.118 4.320 -0.000 0.000 0.267 284 K C 0.615 177.261 176.600 0.077 0.000 1.082 284 K CA 1.020 57.348 56.287 0.069 0.000 0.782 284 K CB -1.603 30.933 32.500 0.059 0.000 1.230 284 K HN 0.611 nan 8.250 nan 0.000 0.488 285 I N -4.636 116.008 120.570 0.125 0.000 4.160 285 I HA 0.171 4.341 4.170 -0.000 0.000 0.325 285 I C 1.227 177.433 176.117 0.150 0.000 1.455 285 I CA -0.667 60.728 61.300 0.160 0.000 1.142 285 I CB 0.081 38.269 38.000 0.312 0.000 1.262 285 I HN -0.009 nan 8.210 nan 0.000 0.483 286 F N 3.407 123.370 119.950 0.022 0.000 2.269 286 F HA -0.169 4.358 4.527 -0.000 0.000 0.301 286 F C 2.520 178.409 175.800 0.149 0.000 1.082 286 F CA 2.297 60.349 58.000 0.085 0.000 1.360 286 F CB -0.068 38.954 39.000 0.037 0.000 1.041 286 F HN 0.371 nan 8.300 nan 0.000 0.512 287 Q N -1.342 118.396 119.800 -0.103 0.000 2.291 287 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 287 Q C 1.134 176.877 176.000 -0.428 0.000 0.976 287 Q CA 1.900 57.517 55.803 -0.310 0.000 0.875 287 Q CB -1.044 27.407 28.738 -0.478 0.000 0.927 287 Q HN 0.619 nan 8.270 nan 0.000 0.450 288 Y N 2.107 122.355 120.300 -0.087 0.000 2.466 288 Y HA 0.126 4.676 4.550 -0.000 0.000 0.272 288 Y C 1.105 176.940 175.900 -0.108 0.000 1.169 288 Y CA -0.165 57.874 58.100 -0.102 0.000 1.285 288 Y CB 0.493 38.927 38.460 -0.044 0.000 1.078 288 Y HN 0.168 nan 8.280 nan 0.000 0.523 289 T N -1.863 112.678 114.554 -0.021 0.000 2.824 289 T HA 0.069 4.419 4.350 -0.000 0.000 0.277 289 T C 0.056 174.756 174.700 -0.001 0.000 0.975 289 T CA -0.960 61.137 62.100 -0.004 0.000 0.966 289 T CB 1.174 70.026 68.868 -0.027 0.000 1.054 289 T HN 0.080 nan 8.240 nan 0.000 0.533 290 N N 0.525 119.245 118.700 0.034 0.000 2.437 290 N HA 0.160 4.900 4.740 -0.000 0.000 0.243 290 N C 0.345 175.983 175.510 0.213 0.000 1.041 290 N CA -0.452 52.628 53.050 0.050 0.000 0.940 290 N CB -0.025 38.458 38.487 -0.007 0.000 1.133 290 N HN 0.703 nan 8.380 nan 0.000 0.506 291 F N 1.500 121.395 119.950 -0.092 0.000 2.113 291 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 291 F C 2.002 177.808 175.800 0.010 0.000 1.103 291 F CA 0.355 58.328 58.000 -0.045 0.000 1.248 291 F CB 0.350 39.318 39.000 -0.053 0.000 0.999 291 F HN 0.427 nan 8.300 nan 0.000 0.475 292 E N 0.957 121.284 120.200 0.211 0.000 2.058 292 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 292 E C 1.901 178.565 176.600 0.107 0.000 0.997 292 E CA 1.211 57.690 56.400 0.131 0.000 0.801 292 E CB -0.482 29.269 29.700 0.085 0.000 0.746 292 E HN 0.422 nan 8.360 nan 0.000 0.450 293 K N 0.620 121.072 120.400 0.088 0.000 2.097 293 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 293 K C 2.014 178.684 176.600 0.116 0.000 1.050 293 K CA 1.105 57.437 56.287 0.075 0.000 0.938 293 K CB -0.100 32.412 32.500 0.021 0.000 0.718 293 K HN -0.022 nan 8.250 nan 0.000 0.442 294 N N 1.546 120.322 118.700 0.127 0.000 2.106 294 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 294 N C 1.717 177.344 175.510 0.196 0.000 1.029 294 N CA 1.369 54.535 53.050 0.192 0.000 0.848 294 N CB -0.021 38.619 38.487 0.255 0.000 1.007 294 N HN 0.043 nan 8.380 nan 0.000 0.423 295 R N 0.044 120.623 120.500 0.132 0.000 2.081 295 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 295 R C 1.490 177.858 176.300 0.114 0.000 1.131 295 R CA 1.564 57.720 56.100 0.094 0.000 0.960 295 R CB -0.211 30.131 30.300 0.070 0.000 0.856 295 R HN 0.287 nan 8.270 nan 0.000 0.436 296 N N -0.154 118.618 118.700 0.120 0.000 2.120 296 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 296 N C 1.461 177.035 175.510 0.106 0.000 1.024 296 N CA 1.324 54.438 53.050 0.106 0.000 0.852 296 N CB -0.569 37.976 38.487 0.096 0.000 1.003 296 N HN 0.321 nan 8.380 nan 0.000 0.424 297 Y N 1.712 122.066 120.300 0.089 0.000 2.114 297 Y HA -0.068 4.482 4.550 -0.000 0.000 0.284 297 Y C 2.218 178.203 175.900 0.142 0.000 1.143 297 Y CA 1.316 59.480 58.100 0.107 0.000 1.135 297 Y CB -0.460 38.061 38.460 0.102 0.000 0.980 297 Y HN -0.046 nan 8.280 nan 0.000 0.499 298 I N -0.030 120.600 120.570 0.100 0.000 2.151 298 I HA -0.383 3.787 4.170 -0.000 0.000 0.243 298 I C 2.351 178.545 176.117 0.128 0.000 1.080 298 I CA 1.714 63.050 61.300 0.059 0.000 1.339 298 I CB -0.630 37.386 38.000 0.027 0.000 1.039 298 I HN 0.273 nan 8.210 nan 0.000 0.409 299 L N 0.560 121.877 121.223 0.156 0.000 2.191 299 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 299 L C 2.703 179.620 176.870 0.077 0.000 1.103 299 L CA 1.501 56.475 54.840 0.223 0.000 0.769 299 L CB -0.655 41.511 42.059 0.178 0.000 0.908 299 L HN 0.401 nan 8.230 nan 0.000 0.438 300 S N -1.535 114.136 115.700 -0.049 0.000 2.507 300 S HA -0.122 4.348 4.470 -0.000 0.000 0.235 300 S C 1.710 176.241 174.600 -0.114 0.000 0.988 300 S CA 1.088 59.228 58.200 -0.100 0.000 0.944 300 S CB -0.622 62.487 63.200 -0.153 0.000 0.762 300 S HN 0.558 nan 8.310 nan 0.000 0.526 301 T N -1.655 112.840 114.554 -0.099 0.000 3.145 301 T HA 0.253 4.603 4.350 -0.000 0.000 0.255 301 T C 0.299 175.002 174.700 0.006 0.000 1.039 301 T CA -0.534 61.554 62.100 -0.021 0.000 0.928 301 T CB -0.239 68.640 68.868 0.018 0.000 1.029 301 T HN 0.474 nan 8.240 nan 0.000 0.554 302 Q N 1.661 121.413 119.800 -0.081 0.000 2.304 302 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 302 Q C -0.809 175.018 176.000 -0.289 0.000 0.965 302 Q CA -0.370 55.180 55.803 -0.422 0.000 0.898 302 Q CB 0.608 29.122 28.738 -0.374 0.000 1.196 302 Q HN 0.298 nan 8.270 nan 0.000 0.402 303 D N 3.896 124.092 120.400 -0.341 0.000 2.411 303 D HA 0.083 4.723 4.640 -0.000 0.000 0.225 303 D C 0.328 176.479 176.300 -0.249 0.000 1.156 303 D CA -0.041 53.828 54.000 -0.219 0.000 0.874 303 D CB 0.596 41.288 40.800 -0.181 0.000 1.034 303 D HN 0.604 nan 8.370 nan 0.000 0.502 304 R N 2.547 122.930 120.500 -0.194 0.000 2.285 304 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 304 R C 1.594 177.792 176.300 -0.171 0.000 1.068 304 R CA 0.214 56.195 56.100 -0.199 0.000 1.004 304 R CB 0.406 30.622 30.300 -0.139 0.000 0.873 304 R HN 0.449 nan 8.270 nan 0.000 0.467 305 L N 0.434 121.578 121.223 -0.131 0.000 2.189 305 L HA 0.009 4.349 4.340 -0.000 0.000 0.199 305 L C 2.010 178.823 176.870 -0.096 0.000 1.074 305 L CA 1.410 56.191 54.840 -0.098 0.000 0.783 305 L CB -0.318 41.704 42.059 -0.061 0.000 0.955 305 L HN 0.093 nan 8.230 nan 0.000 0.460 306 V N -1.537 118.331 119.914 -0.077 0.000 3.590 306 V HA 0.481 4.601 4.120 -0.000 0.000 0.265 306 V C 0.883 176.985 176.094 0.013 0.000 1.239 306 V CA 0.607 62.898 62.300 -0.014 0.000 1.117 306 V CB -0.251 31.600 31.823 0.048 0.000 0.818 306 V HN 0.620 nan 8.190 nan 0.000 0.451 307 G N -0.673 108.022 108.800 -0.175 0.000 2.685 307 G HA2 0.397 4.357 3.960 -0.000 0.000 0.387 307 G HA3 0.397 4.357 3.960 -0.000 0.000 0.387 307 G C 0.548 175.082 174.900 -0.609 0.000 1.324 307 G CA -0.282 44.611 45.100 -0.345 0.000 0.878 307 G HN 2.442 nan 8.290 nan 0.000 0.527 308 G N -2.147 106.254 108.800 -0.664 0.000 2.860 308 G HA2 0.350 4.310 3.960 -0.000 0.000 0.553 308 G HA3 0.350 4.310 3.960 -0.000 0.000 0.553 308 G C -0.396 174.029 174.900 -0.792 0.000 1.439 308 G CA 0.339 44.689 45.100 -1.250 0.000 0.879 308 G HN 1.808 nan 8.290 nan 0.000 0.545 309 F N -0.009 119.663 119.950 -0.463 0.000 2.593 309 F HA 0.839 5.366 4.527 -0.000 0.000 0.320 309 F C 0.842 176.563 175.800 -0.131 0.000 1.060 309 F CA 0.054 57.925 58.000 -0.215 0.000 0.940 309 F CB 2.101 41.008 39.000 -0.154 0.000 1.268 309 F HN 0.996 nan 8.300 nan 0.000 0.475 310 A N 1.137 124.014 122.820 0.096 0.000 2.344 310 A HA 0.534 4.854 4.320 -0.000 0.000 0.307 310 A C 0.807 178.324 177.584 -0.111 0.000 1.151 310 A CA -0.634 51.378 52.037 -0.042 0.000 0.842 310 A CB 1.345 20.323 19.000 -0.036 0.000 1.350 310 A HN 0.861 nan 8.150 nan 0.000 0.459 311 K N -0.891 119.203 120.400 -0.509 0.000 2.103 311 K HA -0.023 4.297 4.320 -0.000 0.000 0.204 311 K C -0.434 176.106 176.600 -0.101 0.000 1.052 311 K CA 0.720 56.684 56.287 -0.538 0.000 0.945 311 K CB -0.006 31.799 32.500 -1.159 0.000 0.722 311 K HN 0.595 nan 8.250 nan 0.000 0.443 312 W N 1.674 123.023 121.300 0.082 0.000 2.902 312 W HA 0.406 5.066 4.660 -0.000 0.000 0.346 312 W C -2.626 173.916 176.519 0.038 0.000 1.139 312 W CA -3.130 54.302 57.345 0.145 0.000 1.139 312 W CB 0.114 29.650 29.460 0.127 0.000 1.439 312 W HN -0.191 nan 8.180 nan 0.000 0.558 313 P HA -0.004 nan 4.420 nan 0.000 0.271 313 P C -0.106 177.261 177.300 0.112 0.000 1.218 313 P CA 0.567 63.724 63.100 0.095 0.000 0.780 313 P CB 0.797 32.521 31.700 0.040 0.000 0.901 314 D N -1.953 118.484 120.400 0.063 0.000 2.945 314 D HA -0.135 4.505 4.640 -0.000 0.000 0.225 314 D C 0.034 176.370 176.300 0.061 0.000 1.158 314 D CA 1.194 55.227 54.000 0.054 0.000 0.805 314 D CB -1.777 39.051 40.800 0.045 0.000 1.098 314 D HN 0.362 nan 8.370 nan 0.000 0.426 315 S N -1.719 114.027 115.700 0.077 0.000 2.648 315 S HA 0.439 4.909 4.470 -0.000 0.000 0.305 315 S C -0.380 174.263 174.600 0.071 0.000 1.094 315 S CA -0.578 57.647 58.200 0.043 0.000 0.983 315 S CB 1.174 64.435 63.200 0.102 0.000 1.101 315 S HN 0.212 nan 8.310 nan 0.000 0.514 316 H N 2.335 121.420 119.070 0.025 0.000 2.683 316 H HA 0.280 4.836 4.556 -0.000 0.000 0.339 316 H C -1.887 173.445 175.328 0.008 0.000 1.081 316 H CA -1.545 54.520 56.048 0.029 0.000 1.432 316 H CB 0.687 30.486 29.762 0.061 0.000 1.462 316 H HN 0.444 nan 8.280 nan 0.000 0.557 317 P HA 0.061 nan 4.420 nan 0.000 0.276 317 P C -1.054 176.349 177.300 0.172 0.000 1.244 317 P CA -0.361 62.765 63.100 0.043 0.000 0.801 317 P CB 1.440 33.057 31.700 -0.137 0.000 1.006 318 D N -1.521 118.986 120.400 0.178 0.000 2.583 318 D HA 0.453 5.093 4.640 -0.000 0.000 0.248 318 D C 0.830 177.311 176.300 0.303 0.000 1.209 318 D CA -0.973 53.206 54.000 0.297 0.000 0.848 318 D CB 0.469 41.417 40.800 0.246 0.000 1.431 318 D HN 0.168 nan 8.370 nan 0.000 0.436 319 A N 0.519 123.542 122.820 0.338 0.000 1.908 319 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 319 A C 1.983 179.523 177.584 -0.073 0.000 1.181 319 A CA 1.682 53.921 52.037 0.335 0.000 0.627 319 A CB -0.983 18.224 19.000 0.345 0.000 0.818 319 A HN 0.654 nan 8.150 nan 0.000 0.445 320 L N -1.575 119.437 121.223 -0.352 0.000 2.017 320 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 320 L C 2.452 179.040 176.870 -0.469 0.000 1.073 320 L CA 2.191 56.484 54.840 -0.911 0.000 0.745 320 L CB -0.364 41.394 42.059 -0.501 0.000 0.894 320 L HN 0.535 nan 8.230 nan 0.000 0.432 321 H N -0.682 118.321 119.070 -0.112 0.000 2.495 321 H HA 0.050 4.606 4.556 -0.000 0.000 0.287 321 H C 2.111 177.402 175.328 -0.062 0.000 1.033 321 H CA 0.986 57.007 56.048 -0.044 0.000 1.307 321 H CB -0.088 29.666 29.762 -0.014 0.000 1.401 321 H HN 0.512 nan 8.280 nan 0.000 0.555 322 A N 0.167 123.017 122.820 0.049 0.000 1.872 322 A HA -0.197 4.123 4.320 -0.000 0.000 0.214 322 A C 2.050 179.684 177.584 0.083 0.000 1.187 322 A CA 1.348 53.435 52.037 0.083 0.000 0.614 322 A CB -0.866 18.038 19.000 -0.161 0.000 0.826 322 A HN 0.509 nan 8.150 nan 0.000 0.442 323 Y N -0.446 119.788 120.300 -0.110 0.000 2.145 323 Y HA -0.175 4.375 4.550 -0.000 0.000 0.286 323 Y C 1.896 177.443 175.900 -0.589 0.000 1.145 323 Y CA 1.702 59.582 58.100 -0.367 0.000 1.148 323 Y CB -0.556 37.490 38.460 -0.689 0.000 0.981 323 Y HN 0.288 nan 8.280 nan 0.000 0.507 324 F N -0.443 119.161 119.950 -0.576 0.000 2.325 324 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 324 F C 2.527 177.958 175.800 -0.615 0.000 1.090 324 F CA 0.678 58.225 58.000 -0.756 0.000 1.392 324 F CB -0.579 37.994 39.000 -0.712 0.000 1.053 324 F HN 0.145 nan 8.300 nan 0.000 0.521 325 G N 0.401 108.934 108.800 -0.446 0.000 2.402 325 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 325 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 325 G C 1.672 176.112 174.900 -0.768 0.000 1.162 325 G CA 0.626 45.308 45.100 -0.698 0.000 0.777 325 G HN 0.315 nan 8.290 nan 0.000 0.539 326 I N 0.355 120.514 120.570 -0.684 0.000 2.252 326 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 326 I C 2.675 178.517 176.117 -0.460 0.000 1.102 326 I CA 0.570 61.588 61.300 -0.469 0.000 1.385 326 I CB -0.165 37.716 38.000 -0.200 0.000 1.064 326 I HN 0.180 nan 8.210 nan 0.000 0.414 327 C N 0.744 119.687 119.300 -0.595 0.000 2.435 327 C HA -0.066 4.394 4.460 -0.000 0.000 0.279 327 C C 2.904 177.736 174.990 -0.264 0.000 1.321 327 C CA 0.905 59.617 59.018 -0.511 0.000 1.752 327 C CB -1.713 25.499 27.740 -0.880 0.000 1.959 327 C HN 0.667 nan 8.230 nan 0.000 0.500 328 G N 0.290 108.929 108.800 -0.269 0.000 2.402 328 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 328 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 328 G C 1.411 176.172 174.900 -0.232 0.000 1.162 328 G CA 0.538 45.511 45.100 -0.212 0.000 0.777 328 G HN 0.341 nan 8.290 nan 0.000 0.539 329 L N 1.295 122.347 121.223 -0.286 0.000 2.083 329 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 329 L C 3.067 179.786 176.870 -0.252 0.000 1.083 329 L CA 1.874 56.547 54.840 -0.278 0.000 0.752 329 L CB -1.017 40.805 42.059 -0.394 0.000 0.899 329 L HN 0.341 nan 8.230 nan 0.000 0.433 330 S N -0.812 114.735 115.700 -0.254 0.000 2.383 330 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 330 S C 2.022 176.526 174.600 -0.160 0.000 1.030 330 S CA 0.823 58.908 58.200 -0.193 0.000 1.002 330 S CB -0.165 62.925 63.200 -0.183 0.000 0.829 330 S HN 0.253 nan 8.310 nan 0.000 0.467 331 L N 1.035 122.131 121.223 -0.212 0.000 2.187 331 L HA 0.106 4.446 4.340 -0.000 0.000 0.213 331 L C 2.067 178.868 176.870 -0.114 0.000 1.100 331 L CA 1.711 56.387 54.840 -0.273 0.000 0.765 331 L CB -0.881 40.788 42.059 -0.650 0.000 0.904 331 L HN 0.492 nan 8.230 nan 0.000 0.437 332 M N -1.476 118.028 119.600 -0.160 0.000 2.419 332 M HA 0.106 4.586 4.480 -0.000 0.000 0.252 332 M C -0.199 176.081 176.300 -0.034 0.000 1.143 332 M CA 0.031 55.206 55.300 -0.209 0.000 0.985 332 M CB 0.226 32.533 32.600 -0.489 0.000 1.489 332 M HN 0.069 nan 8.290 nan 0.000 0.484 333 E N 1.357 121.529 120.200 -0.048 0.000 2.257 333 E HA -0.186 4.164 4.350 -0.000 0.000 0.217 333 E C -0.144 176.428 176.600 -0.046 0.000 1.248 333 E CA 0.182 56.565 56.400 -0.028 0.000 0.691 333 E CB -1.136 28.580 29.700 0.028 0.000 1.185 333 E HN 0.430 nan 8.360 nan 0.000 0.377 334 E N 0.997 121.129 120.200 -0.114 0.000 2.465 334 E HA 0.053 4.402 4.350 -0.000 0.000 0.260 334 E C -0.264 176.274 176.600 -0.104 0.000 0.980 334 E CA 0.223 56.531 56.400 -0.154 0.000 0.927 334 E CB 0.825 30.324 29.700 -0.335 0.000 0.934 334 E HN 0.186 nan 8.360 nan 0.000 0.459 335 S N 3.519 119.189 115.700 -0.050 0.000 2.506 335 S HA 0.363 4.833 4.470 -0.000 0.000 0.291 335 S C 0.933 175.549 174.600 0.026 0.000 1.230 335 S CA 0.828 59.029 58.200 0.002 0.000 1.107 335 S CB -0.665 62.555 63.200 0.033 0.000 0.942 335 S HN 0.935 nan 8.310 nan 0.000 0.502 336 G N 4.180 113.001 108.800 0.035 0.000 2.201 336 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.212 336 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.212 336 G C -0.014 174.932 174.900 0.077 0.000 0.994 336 G CA -0.057 45.096 45.100 0.088 0.000 0.644 336 G HN 0.702 nan 8.290 nan 0.000 0.508 337 I N 1.327 121.890 120.570 -0.011 0.000 2.433 337 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 337 I C 1.037 177.132 176.117 -0.036 0.000 1.001 337 I CA -1.155 60.124 61.300 -0.034 0.000 1.119 337 I CB 1.672 39.576 38.000 -0.161 0.000 1.289 337 I HN 0.103 nan 8.210 nan 0.000 0.438 338 C N 4.176 123.464 119.300 -0.019 0.000 2.727 338 C HA 0.055 4.515 4.460 -0.000 0.000 0.401 338 C C 0.917 175.887 174.990 -0.034 0.000 1.294 338 C CA -0.369 58.640 59.018 -0.015 0.000 2.134 338 C CB -0.168 27.569 27.740 -0.005 0.000 2.724 338 C HN 0.676 nan 8.230 nan 0.000 0.677 339 K N 1.073 121.464 120.400 -0.015 0.000 2.297 339 K HA 0.397 4.717 4.320 -0.000 0.000 0.286 339 K C -0.340 176.261 176.600 0.002 0.000 1.053 339 K CA -0.207 56.070 56.287 -0.017 0.000 0.940 339 K CB 0.717 33.217 32.500 -0.000 0.000 1.019 339 K HN 0.555 nan 8.250 nan 0.000 0.475 340 V N 4.781 124.689 119.914 -0.010 0.000 2.732 340 V HA 0.049 4.169 4.120 -0.000 0.000 0.297 340 V C -0.286 175.880 176.094 0.120 0.000 1.060 340 V CA -0.415 61.912 62.300 0.046 0.000 1.038 340 V CB 1.132 32.961 31.823 0.011 0.000 1.003 340 V HN 0.799 nan 8.190 nan 0.000 0.481 341 H N 8.350 127.483 119.070 0.106 0.000 2.761 341 H HA 0.348 4.904 4.556 -0.000 0.000 0.284 341 H C -1.766 173.691 175.328 0.215 0.000 1.105 341 H CA -1.932 54.193 56.048 0.128 0.000 1.352 341 H CB 1.710 31.545 29.762 0.123 0.000 1.423 341 H HN 0.537 nan 8.280 nan 0.000 0.464 342 P HA -0.194 nan 4.420 nan 0.000 0.217 342 P C 0.977 178.552 177.300 0.459 0.000 1.151 342 P CA 1.842 65.078 63.100 0.227 0.000 0.849 342 P CB 0.313 32.008 31.700 -0.008 0.000 0.787 343 A N -1.096 121.993 122.820 0.448 0.000 1.943 343 A HA 0.035 4.355 4.320 -0.000 0.000 0.213 343 A C 2.131 180.042 177.584 0.545 0.000 1.181 343 A CA 0.607 52.909 52.037 0.442 0.000 0.653 343 A CB -1.206 17.955 19.000 0.268 0.000 0.833 343 A HN 0.129 nan 8.150 nan 0.000 0.451 344 L N -0.576 120.954 121.223 0.512 0.000 2.418 344 L HA 0.140 4.480 4.340 -0.000 0.000 0.218 344 L C 0.645 177.779 176.870 0.440 0.000 1.125 344 L CA 1.182 56.149 54.840 0.211 0.000 0.835 344 L CB -0.792 41.074 42.059 -0.321 0.000 0.953 344 L HN 0.598 nan 8.230 nan 0.000 0.454 345 N N -0.556 118.494 118.700 0.583 0.000 2.756 345 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 345 N C -0.818 174.961 175.510 0.449 0.000 1.062 345 N CA 0.925 54.313 53.050 0.564 0.000 0.696 345 N CB -1.188 37.752 38.487 0.756 0.000 0.946 345 N HN 0.235 nan 8.380 nan 0.000 0.548 346 V N -3.616 116.485 119.914 0.312 0.000 3.232 346 V HA 0.813 4.933 4.120 -0.000 0.000 0.303 346 V C 0.495 176.680 176.094 0.152 0.000 1.311 346 V CA -0.514 61.910 62.300 0.206 0.000 1.061 346 V CB 1.385 33.299 31.823 0.151 0.000 1.085 346 V HN 0.486 nan 8.190 nan 0.000 0.447 347 S N -0.031 115.718 115.700 0.081 0.000 2.572 347 S HA 0.170 4.640 4.470 -0.000 0.000 0.279 347 S C 1.372 176.032 174.600 0.101 0.000 1.341 347 S CA 0.393 58.632 58.200 0.065 0.000 1.043 347 S CB 0.850 64.063 63.200 0.022 0.000 0.887 347 S HN 1.826 nan 8.310 nan 0.000 0.516 348 T N -0.307 114.316 114.554 0.114 0.000 2.881 348 T HA -0.195 4.155 4.350 -0.000 0.000 0.270 348 T C 1.763 176.516 174.700 0.088 0.000 1.068 348 T CA 1.056 63.242 62.100 0.143 0.000 1.131 348 T CB -0.446 68.489 68.868 0.112 0.000 0.871 348 T HN 0.706 nan 8.240 nan 0.000 0.479 349 R N 1.244 121.776 120.500 0.053 0.000 2.083 349 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 349 R C 2.271 178.582 176.300 0.018 0.000 1.137 349 R CA 2.123 58.240 56.100 0.030 0.000 0.951 349 R CB -1.112 29.198 30.300 0.018 0.000 0.851 349 R HN 0.435 nan 8.270 nan 0.000 0.434 350 T N 0.667 115.232 114.554 0.017 0.000 2.821 350 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 350 T C 1.877 176.569 174.700 -0.014 0.000 1.046 350 T CA 1.665 63.763 62.100 -0.002 0.000 1.139 350 T CB -0.230 68.639 68.868 0.002 0.000 0.871 350 T HN 0.555 nan 8.240 nan 0.000 0.454 351 S N 1.642 117.348 115.700 0.011 0.000 2.399 351 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 351 S C 1.844 176.440 174.600 -0.006 0.000 1.022 351 S CA 1.012 59.204 58.200 -0.013 0.000 0.983 351 S CB -0.359 62.835 63.200 -0.010 0.000 0.803 351 S HN 0.560 nan 8.310 nan 0.000 0.480 352 E N 0.821 121.030 120.200 0.015 0.000 2.107 352 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 352 E C 2.379 178.947 176.600 -0.052 0.000 0.982 352 E CA 0.412 56.812 56.400 0.000 0.000 0.809 352 E CB -0.114 29.598 29.700 0.020 0.000 0.756 352 E HN 0.278 nan 8.360 nan 0.000 0.459 353 R N 1.081 121.547 120.500 -0.056 0.000 2.096 353 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 353 R C 2.244 178.447 176.300 -0.162 0.000 1.127 353 R CA 0.899 56.949 56.100 -0.083 0.000 0.968 353 R CB -0.432 29.834 30.300 -0.057 0.000 0.861 353 R HN 0.223 nan 8.270 nan 0.000 0.440 354 L N 1.163 122.271 121.223 -0.192 0.000 2.156 354 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 354 L C 2.546 179.089 176.870 -0.544 0.000 1.095 354 L CA 1.660 56.278 54.840 -0.370 0.000 0.770 354 L CB -0.501 41.386 42.059 -0.288 0.000 0.914 354 L HN 0.060 nan 8.230 nan 0.000 0.439 355 R N -0.614 119.716 120.500 -0.282 0.000 2.096 355 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 355 R C 1.710 177.893 176.300 -0.195 0.000 1.127 355 R CA 1.730 57.717 56.100 -0.188 0.000 0.968 355 R CB -0.207 30.069 30.300 -0.041 0.000 0.861 355 R HN 0.429 nan 8.270 nan 0.000 0.440 356 D N 0.641 120.926 120.400 -0.193 0.000 2.103 356 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 356 D C 1.994 178.138 176.300 -0.261 0.000 0.978 356 D CA 0.968 54.870 54.000 -0.163 0.000 0.829 356 D CB -0.241 40.493 40.800 -0.110 0.000 0.981 356 D HN 0.257 nan 8.370 nan 0.000 0.464 357 L N 0.300 121.283 121.223 -0.400 0.000 2.129 357 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 357 L C 2.334 178.571 176.870 -1.055 0.000 1.087 357 L CA 1.316 55.778 54.840 -0.631 0.000 0.757 357 L CB -0.467 41.190 42.059 -0.670 0.000 0.896 357 L HN 0.239 nan 8.230 nan 0.000 0.434 358 H N -1.298 117.268 119.070 -0.841 0.000 2.333 358 H HA -0.164 4.392 4.556 -0.000 0.000 0.302 358 H C 2.582 177.719 175.328 -0.318 0.000 1.075 358 H CA 1.064 56.697 56.048 -0.691 0.000 1.348 358 H CB 0.058 29.567 29.762 -0.422 0.000 1.393 358 H HN 0.416 nan 8.280 nan 0.000 0.509 359 Q N 1.114 120.864 119.800 -0.085 0.000 2.077 359 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 359 Q C 2.490 178.487 176.000 -0.004 0.000 0.989 359 Q CA 2.247 58.033 55.803 -0.028 0.000 0.853 359 Q CB -1.265 27.456 28.738 -0.029 0.000 0.907 359 Q HN 0.646 nan 8.270 nan 0.000 0.418 360 S N -0.934 114.740 115.700 -0.043 0.000 2.370 360 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 360 S C 1.841 176.554 174.600 0.189 0.000 1.033 360 S CA 1.500 59.727 58.200 0.044 0.000 1.011 360 S CB -0.716 62.502 63.200 0.030 0.000 0.852 360 S HN 0.787 nan 8.310 nan 0.000 0.457 361 W N 2.642 123.967 121.300 0.042 0.000 2.342 361 W HA 0.164 4.824 4.660 -0.000 0.000 0.297 361 W C 1.785 178.313 176.519 0.015 0.000 1.213 361 W CA 0.635 57.998 57.345 0.029 0.000 1.251 361 W CB -1.270 28.212 29.460 0.037 0.000 1.136 361 W HN 0.534 nan 8.180 nan 0.000 0.526 362 K N 1.852 122.388 120.400 0.227 0.000 2.167 362 K HA 0.433 4.753 4.320 -0.000 0.000 0.275 362 K C 0.233 176.889 176.600 0.092 0.000 1.103 362 K CA 0.673 57.037 56.287 0.128 0.000 0.963 362 K CB -1.021 31.529 32.500 0.083 0.000 1.243 362 K HN 0.225 nan 8.250 nan 0.000 0.407 363 T N 0.000 114.605 114.554 0.084 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.136 62.100 0.061 0.000 1.349 363 T CB 0.000 68.908 68.868 0.067 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658