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 1tny_1_L DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.922 176.870 0.087 0.000 1.165 18 L CA 0.000 54.876 54.840 0.059 0.000 0.813 18 L CB 0.000 42.085 42.059 0.043 0.000 0.961 19 D N -0.291 120.161 120.400 0.086 0.000 2.326 19 D HA 0.354 4.995 4.640 0.002 0.000 0.248 19 D C -0.864 175.552 176.300 0.193 0.000 1.001 19 D CA -0.337 53.738 54.000 0.124 0.000 0.961 19 D CB 1.823 42.667 40.800 0.074 0.000 1.183 19 D HN 0.189 nan 8.370 nan 0.000 0.502 20 F N 1.042 121.038 119.950 0.076 0.000 2.413 20 F HA 0.257 4.785 4.527 0.002 0.000 0.359 20 F C -0.353 175.498 175.800 0.086 0.000 1.122 20 F CA -1.249 56.831 58.000 0.132 0.000 1.160 20 F CB 0.447 39.536 39.000 0.148 0.000 1.146 20 F HN 0.129 nan 8.300 nan 0.000 0.514 21 L N 7.853 128.803 121.223 -0.456 0.000 2.672 21 L HA 0.186 4.528 4.340 0.002 0.000 0.238 21 L C 1.975 178.337 176.870 -0.846 0.000 1.392 21 L CA 0.454 54.937 54.840 -0.594 0.000 1.238 21 L CB -1.271 40.435 42.059 -0.588 0.000 1.548 21 L HN 0.697 nan 8.230 nan 0.000 0.423 22 R N 0.189 120.176 120.500 -0.854 0.000 2.134 22 R HA -0.237 4.104 4.340 0.002 0.000 0.248 22 R C 1.283 177.433 176.300 -0.251 0.000 1.143 22 R CA 2.221 57.999 56.100 -0.536 0.000 0.957 22 R CB 0.156 30.383 30.300 -0.121 0.000 0.867 22 R HN 0.445 nan 8.270 nan 0.000 0.441 23 D N -0.405 119.865 120.400 -0.216 0.000 2.117 23 D HA -0.177 4.465 4.640 0.002 0.000 0.197 23 D C 1.965 178.156 176.300 -0.181 0.000 0.987 23 D CA 1.122 55.038 54.000 -0.140 0.000 0.829 23 D CB -0.260 40.472 40.800 -0.113 0.000 0.961 23 D HN 0.306 nan 8.370 nan 0.000 0.460 24 R N -0.206 120.100 120.500 -0.323 0.000 2.120 24 R HA -0.124 4.217 4.340 0.002 0.000 0.234 24 R C 2.063 178.163 176.300 -0.333 0.000 1.123 24 R CA 1.019 56.910 56.100 -0.349 0.000 0.975 24 R CB 0.005 30.020 30.300 -0.475 0.000 0.866 24 R HN 0.306 nan 8.270 nan 0.000 0.446 25 H N -0.688 118.234 119.070 -0.248 0.000 2.462 25 H HA -0.038 4.519 4.556 0.002 0.000 0.292 25 H C 2.126 177.387 175.328 -0.113 0.000 1.049 25 H CA 1.278 57.161 56.048 -0.274 0.000 1.334 25 H CB 0.005 29.608 29.762 -0.265 0.000 1.404 25 H HN 0.061 nan 8.280 nan 0.000 0.544 26 V N 1.314 121.284 119.914 0.094 0.000 2.307 26 V HA -0.198 3.923 4.120 0.002 0.000 0.245 26 V C 2.658 178.819 176.094 0.112 0.000 1.045 26 V CA 1.386 63.787 62.300 0.169 0.000 1.024 26 V CB -0.218 31.665 31.823 0.099 0.000 0.651 26 V HN 0.287 nan 8.190 nan 0.000 0.449 27 R N -0.749 119.766 120.500 0.025 0.000 2.091 27 R HA -0.163 4.178 4.340 0.002 0.000 0.238 27 R C 2.189 178.487 176.300 -0.003 0.000 1.136 27 R CA 1.824 57.921 56.100 -0.004 0.000 0.959 27 R CB -1.005 29.269 30.300 -0.043 0.000 0.856 27 R HN 0.562 nan 8.270 nan 0.000 0.437 28 F N 0.735 120.593 119.950 -0.154 0.000 2.046 28 F HA -0.230 4.298 4.527 0.002 0.000 0.297 28 F C 2.103 177.836 175.800 -0.113 0.000 1.123 28 F CA 1.626 59.508 58.000 -0.195 0.000 1.199 28 F CB -0.645 38.160 39.000 -0.326 0.000 0.972 28 F HN -0.104 nan 8.300 nan 0.000 0.474 29 F N 0.401 120.446 119.950 0.159 0.000 2.126 29 F HA -0.278 4.250 4.527 0.003 0.000 0.299 29 F C 2.748 178.487 175.800 -0.102 0.000 1.096 29 F CA 1.386 59.403 58.000 0.028 0.000 1.255 29 F CB -0.786 38.282 39.000 0.113 0.000 0.997 29 F HN 0.126 nan 8.300 nan 0.000 0.479 30 Q N 0.909 120.773 119.800 0.108 0.000 2.135 30 Q HA -0.264 4.078 4.340 0.002 0.000 0.204 30 Q C 2.335 178.284 176.000 -0.086 0.000 0.981 30 Q CA 1.615 57.419 55.803 0.002 0.000 0.856 30 Q CB -0.174 28.562 28.738 -0.003 0.000 0.902 30 Q HN 0.337 nan 8.270 nan 0.000 0.425 31 R N -0.573 119.837 120.500 -0.151 0.000 2.081 31 R HA -0.129 4.212 4.340 0.002 0.000 0.235 31 R C 2.326 178.473 176.300 -0.255 0.000 1.131 31 R CA 1.665 57.633 56.100 -0.220 0.000 0.960 31 R CB -0.369 29.756 30.300 -0.292 0.000 0.856 31 R HN 0.418 nan 8.270 nan 0.000 0.436 32 C N 0.593 119.717 119.300 -0.293 0.000 2.413 32 C HA -0.076 4.386 4.460 0.002 0.000 0.277 32 C C 2.324 177.210 174.990 -0.173 0.000 1.265 32 C CA 0.244 59.118 59.018 -0.239 0.000 1.752 32 C CB -0.858 26.802 27.740 -0.135 0.000 1.998 32 C HN 0.464 nan 8.230 nan 0.000 0.489 33 L N 0.790 121.925 121.223 -0.148 0.000 2.376 33 L HA -0.056 4.286 4.340 0.002 0.000 0.219 33 L C 2.294 179.038 176.870 -0.210 0.000 1.133 33 L CA 1.529 56.259 54.840 -0.182 0.000 0.816 33 L CB -1.486 40.479 42.059 -0.157 0.000 0.933 33 L HN 0.586 nan 8.230 nan 0.000 0.449 34 Q N -1.212 118.478 119.800 -0.182 0.000 1.922 34 Q HA 0.137 4.478 4.340 0.002 0.000 0.224 34 Q C -0.079 175.819 176.000 -0.171 0.000 0.973 34 Q CA 0.515 56.216 55.803 -0.171 0.000 0.858 34 Q CB 0.240 28.891 28.738 -0.144 0.000 0.910 34 Q HN 0.133 nan 8.270 nan 0.000 0.456 35 V N 1.121 120.935 119.914 -0.166 0.000 2.789 35 V HA 0.395 4.517 4.120 0.002 0.000 0.311 35 V C -0.990 174.988 176.094 -0.194 0.000 1.073 35 V CA -0.620 61.589 62.300 -0.152 0.000 0.921 35 V CB 2.105 33.857 31.823 -0.118 0.000 1.009 35 V HN 0.243 nan 8.190 nan 0.000 0.426 36 L N 4.515 125.625 121.223 -0.188 0.000 2.342 36 L HA 0.638 4.980 4.340 0.002 0.000 0.271 36 L C -2.355 174.416 176.870 -0.164 0.000 1.008 36 L CA -1.783 52.877 54.840 -0.299 0.000 0.818 36 L CB 1.909 43.775 42.059 -0.322 0.000 1.296 36 L HN 0.441 nan 8.230 nan 0.000 0.427 37 P HA 0.057 nan 4.420 nan 0.000 0.272 37 P C 0.302 177.689 177.300 0.145 0.000 1.240 37 P CA -0.484 62.631 63.100 0.024 0.000 0.791 37 P CB 0.659 32.408 31.700 0.082 0.000 0.978 38 E N 0.946 121.216 120.200 0.116 0.000 2.401 38 E HA -0.215 4.136 4.350 0.002 0.000 0.199 38 E C 1.368 178.058 176.600 0.149 0.000 1.023 38 E CA 0.503 56.974 56.400 0.117 0.000 0.859 38 E CB 0.019 29.763 29.700 0.074 0.000 0.780 38 E HN 0.323 nan 8.360 nan 0.000 0.523 39 R N -0.743 119.879 120.500 0.203 0.000 2.339 39 R HA -0.095 4.246 4.340 0.002 0.000 0.199 39 R C 0.434 176.727 176.300 -0.010 0.000 1.018 39 R CA 0.718 56.881 56.100 0.105 0.000 1.036 39 R CB -0.182 30.165 30.300 0.078 0.000 0.899 39 R HN 0.197 nan 8.270 nan 0.000 0.473 40 Y N 1.203 121.526 120.300 0.038 0.000 2.555 40 Y HA 0.159 4.711 4.550 0.002 0.000 0.259 40 Y C 2.020 177.945 175.900 0.040 0.000 1.179 40 Y CA -0.336 57.792 58.100 0.046 0.000 1.230 40 Y CB 0.581 39.067 38.460 0.043 0.000 1.146 40 Y HN 0.197 nan 8.280 nan 0.000 0.526 41 S N -0.602 115.176 115.700 0.130 0.000 2.420 41 S HA -0.256 4.215 4.470 0.002 0.000 0.237 41 S C 2.038 176.669 174.600 0.052 0.000 1.023 41 S CA 1.533 59.784 58.200 0.085 0.000 0.991 41 S CB -0.816 62.422 63.200 0.063 0.000 0.792 41 S HN 0.485 nan 8.310 nan 0.000 0.488 42 S N 0.947 116.668 115.700 0.034 0.000 2.603 42 S HA 0.229 4.701 4.470 0.002 0.000 0.229 42 S C 1.347 175.963 174.600 0.027 0.000 0.972 42 S CA 0.200 58.410 58.200 0.017 0.000 0.935 42 S CB -0.620 62.586 63.200 0.009 0.000 0.769 42 S HN 0.590 nan 8.310 nan 0.000 0.536 43 L N 0.308 121.568 121.223 0.061 0.000 2.640 43 L HA 0.303 4.645 4.340 0.002 0.000 0.230 43 L C 2.402 179.301 176.870 0.049 0.000 1.123 43 L CA 0.184 55.072 54.840 0.079 0.000 0.900 43 L CB -0.192 41.962 42.059 0.159 0.000 1.146 43 L HN 0.236 nan 8.230 nan 0.000 0.484 44 E N 1.452 121.669 120.200 0.029 0.000 2.068 44 E HA -0.286 4.066 4.350 0.002 0.000 0.207 44 E C 2.013 178.582 176.600 -0.053 0.000 1.032 44 E CA 2.607 59.017 56.400 0.016 0.000 0.839 44 E CB -0.306 29.394 29.700 -0.000 0.000 0.758 44 E HN 0.411 nan 8.360 nan 0.000 0.457 45 T N -2.685 111.738 114.554 -0.219 0.000 3.163 45 T HA 0.070 4.421 4.350 0.002 0.000 0.260 45 T C 1.209 175.799 174.700 -0.183 0.000 1.156 45 T CA 0.899 62.781 62.100 -0.363 0.000 1.072 45 T CB -0.111 68.400 68.868 -0.595 0.000 0.937 45 T HN 0.012 nan 8.240 nan 0.000 0.528 46 S N 0.137 115.784 115.700 -0.089 0.000 2.749 46 S HA 0.330 4.802 4.470 0.002 0.000 0.246 46 S C 1.469 176.070 174.600 0.003 0.000 1.023 46 S CA -0.726 57.432 58.200 -0.069 0.000 1.012 46 S CB 0.242 63.420 63.200 -0.035 0.000 0.942 46 S HN 0.416 nan 8.310 nan 0.000 0.531 47 R N 0.880 121.420 120.500 0.067 0.000 2.105 47 R HA -0.064 4.277 4.340 0.002 0.000 0.239 47 R C 1.983 178.393 176.300 0.185 0.000 1.135 47 R CA 1.060 57.249 56.100 0.148 0.000 0.967 47 R CB -0.394 30.055 30.300 0.247 0.000 0.861 47 R HN 0.266 nan 8.270 nan 0.000 0.442 48 L N 0.981 122.291 121.223 0.143 0.000 2.131 48 L HA -0.152 4.190 4.340 0.002 0.000 0.210 48 L C 2.311 179.144 176.870 -0.062 0.000 1.092 48 L CA 2.259 57.156 54.840 0.095 0.000 0.759 48 L CB -0.807 41.207 42.059 -0.074 0.000 0.903 48 L HN 0.303 nan 8.230 nan 0.000 0.435 49 T N -3.629 110.827 114.554 -0.164 0.000 2.951 49 T HA -0.080 4.272 4.350 0.002 0.000 0.268 49 T C 1.930 176.301 174.700 -0.547 0.000 1.073 49 T CA 0.932 62.797 62.100 -0.390 0.000 1.134 49 T CB -0.398 68.246 68.868 -0.373 0.000 0.884 49 T HN 0.182 nan 8.240 nan 0.000 0.479 50 I N 2.373 122.819 120.570 -0.207 0.000 2.315 50 I HA 0.059 4.230 4.170 0.002 0.000 0.248 50 I C 3.115 179.192 176.117 -0.065 0.000 1.117 50 I CA 0.989 62.268 61.300 -0.036 0.000 1.404 50 I CB -1.788 36.271 38.000 0.099 0.000 1.071 50 I HN 0.383 nan 8.210 nan 0.000 0.419 51 A N 0.832 123.622 122.820 -0.051 0.000 1.902 51 A HA -0.267 4.054 4.320 0.002 0.000 0.217 51 A C 2.302 179.794 177.584 -0.153 0.000 1.181 51 A CA 1.482 53.484 52.037 -0.058 0.000 0.623 51 A CB -1.098 17.966 19.000 0.107 0.000 0.818 51 A HN 0.390 nan 8.150 nan 0.000 0.443 52 F N -0.095 119.640 119.950 -0.357 0.000 2.102 52 F HA -0.162 4.366 4.527 0.002 0.000 0.298 52 F C 1.958 177.409 175.800 -0.583 0.000 1.105 52 F CA 1.623 59.324 58.000 -0.499 0.000 1.239 52 F CB -0.510 38.098 39.000 -0.654 0.000 0.991 52 F HN 0.256 nan 8.300 nan 0.000 0.474 53 F N 0.198 119.757 119.950 -0.652 0.000 2.134 53 F HA -0.197 4.332 4.527 0.002 0.000 0.299 53 F C 2.612 177.912 175.800 -0.832 0.000 1.097 53 F CA 0.650 58.108 58.000 -0.904 0.000 1.264 53 F CB -0.844 37.969 39.000 -0.311 0.000 1.001 53 F HN 0.129 nan 8.300 nan 0.000 0.479 54 A N 0.329 122.955 122.820 -0.323 0.000 1.872 54 A HA -0.068 4.253 4.320 0.002 0.000 0.214 54 A C 2.137 179.384 177.584 -0.562 0.000 1.187 54 A CA 1.035 52.833 52.037 -0.397 0.000 0.614 54 A CB -0.916 18.048 19.000 -0.059 0.000 0.826 54 A HN 0.343 nan 8.150 nan 0.000 0.442 55 L N -0.912 120.047 121.223 -0.440 0.000 2.056 55 L HA -0.113 4.228 4.340 0.002 0.000 0.207 55 L C 2.876 179.479 176.870 -0.446 0.000 1.078 55 L CA 1.516 56.141 54.840 -0.358 0.000 0.749 55 L CB -0.444 41.467 42.059 -0.247 0.000 0.901 55 L HN 0.471 nan 8.230 nan 0.000 0.433 56 S N -0.077 115.203 115.700 -0.699 0.000 2.402 56 S HA -0.090 4.381 4.470 0.002 0.000 0.229 56 S C 1.962 176.313 174.600 -0.415 0.000 1.021 56 S CA 1.168 58.983 58.200 -0.643 0.000 0.974 56 S CB -0.279 62.165 63.200 -1.260 0.000 0.800 56 S HN 0.510 nan 8.310 nan 0.000 0.484 57 G N 1.460 109.868 108.800 -0.654 0.000 2.402 57 G HA2 -0.074 3.888 3.960 0.002 0.000 0.216 57 G HA3 -0.074 3.888 3.960 0.002 0.000 0.216 57 G C 1.403 176.030 174.900 -0.455 0.000 1.162 57 G CA 0.697 45.375 45.100 -0.703 0.000 0.777 57 G HN 0.499 nan 8.290 nan 0.000 0.539 58 L N 0.355 121.307 121.223 -0.452 0.000 2.046 58 L HA -0.069 4.272 4.340 0.002 0.000 0.208 58 L C 2.604 179.442 176.870 -0.053 0.000 1.077 58 L CA 1.373 56.157 54.840 -0.094 0.000 0.747 58 L CB -0.327 41.688 42.059 -0.073 0.000 0.896 58 L HN 0.198 nan 8.230 nan 0.000 0.432 59 D N 0.073 120.403 120.400 -0.117 0.000 2.104 59 D HA -0.271 4.370 4.640 0.002 0.000 0.194 59 D C 2.123 178.405 176.300 -0.030 0.000 0.994 59 D CA 1.474 55.433 54.000 -0.069 0.000 0.830 59 D CB 0.029 40.770 40.800 -0.098 0.000 0.959 59 D HN 0.032 nan 8.370 nan 0.000 0.452 60 M N -0.405 119.170 119.600 -0.041 0.000 2.279 60 M HA 0.035 4.517 4.480 0.002 0.000 0.264 60 M C 1.429 177.753 176.300 0.039 0.000 1.062 60 M CA 1.129 56.419 55.300 -0.018 0.000 1.099 60 M CB -0.041 32.524 32.600 -0.060 0.000 1.394 60 M HN 0.093 nan 8.290 nan 0.000 0.426 61 L N -1.160 120.116 121.223 0.089 0.000 2.628 61 L HA 0.130 4.471 4.340 0.002 0.000 0.229 61 L C 0.106 177.041 176.870 0.108 0.000 1.137 61 L CA -0.229 54.705 54.840 0.157 0.000 0.909 61 L CB -0.442 41.772 42.059 0.258 0.000 1.137 61 L HN 0.234 nan 8.230 nan 0.000 0.470 62 D N 0.597 121.034 120.400 0.062 0.000 2.735 62 D HA -0.210 4.432 4.640 0.002 0.000 0.235 62 D C 0.185 176.513 176.300 0.047 0.000 1.175 62 D CA 0.684 54.710 54.000 0.044 0.000 0.683 62 D CB -0.622 40.205 40.800 0.045 0.000 1.008 62 D HN 0.209 nan 8.370 nan 0.000 0.416 63 S N 0.042 115.768 115.700 0.045 0.000 3.073 63 S HA 0.185 4.656 4.470 0.002 0.000 0.252 63 S C 1.544 176.159 174.600 0.024 0.000 0.953 63 S CA -0.582 57.645 58.200 0.045 0.000 1.105 63 S CB 0.211 63.456 63.200 0.075 0.000 1.070 63 S HN 0.387 nan 8.310 nan 0.000 0.574 64 L N 2.159 123.385 121.223 0.005 0.000 2.265 64 L HA -0.148 4.193 4.340 0.002 0.000 0.215 64 L C 2.356 179.224 176.870 -0.004 0.000 1.117 64 L CA 1.276 56.109 54.840 -0.011 0.000 0.782 64 L CB -0.349 41.697 42.059 -0.021 0.000 0.914 64 L HN 0.506 nan 8.230 nan 0.000 0.441 65 D N 0.207 120.610 120.400 0.004 0.000 2.265 65 D HA -0.161 4.481 4.640 0.002 0.000 0.208 65 D C 1.755 178.056 176.300 0.002 0.000 0.977 65 D CA 1.536 55.539 54.000 0.004 0.000 0.871 65 D CB -0.409 40.396 40.800 0.008 0.000 0.925 65 D HN 0.416 nan 8.370 nan 0.000 0.485 66 V N -0.713 119.203 119.914 0.003 0.000 3.510 66 V HA 0.092 4.213 4.120 0.002 0.000 0.270 66 V C 0.895 176.982 176.094 -0.012 0.000 1.201 66 V CA 0.245 62.544 62.300 -0.001 0.000 1.166 66 V CB -1.114 30.713 31.823 0.008 0.000 0.825 66 V HN 0.220 nan 8.190 nan 0.000 0.484 67 V N -2.501 117.404 119.914 -0.015 0.000 3.074 67 V HA 0.616 4.738 4.120 0.002 0.000 0.314 67 V C -0.315 175.769 176.094 -0.017 0.000 1.117 67 V CA -0.985 61.300 62.300 -0.025 0.000 1.014 67 V CB 1.917 33.717 31.823 -0.038 0.000 1.057 67 V HN 0.232 nan 8.190 nan 0.000 0.438 68 N N 1.970 120.659 118.700 -0.018 0.000 2.521 68 N HA 0.261 5.002 4.740 0.002 0.000 0.236 68 N C 0.836 176.353 175.510 0.012 0.000 1.067 68 N CA -0.069 52.980 53.050 -0.002 0.000 0.939 68 N CB 0.887 39.372 38.487 -0.004 0.000 1.201 68 N HN 0.804 nan 8.380 nan 0.000 0.511 69 K N 1.738 122.148 120.400 0.017 0.000 2.020 69 K HA -0.172 4.150 4.320 0.002 0.000 0.212 69 K C 0.698 177.333 176.600 0.060 0.000 1.050 69 K CA 1.475 57.780 56.287 0.030 0.000 0.929 69 K CB 0.134 32.650 32.500 0.027 0.000 0.714 69 K HN 0.535 nan 8.250 nan 0.000 0.443 70 D N 1.131 121.568 120.400 0.061 0.000 2.133 70 D HA -0.172 4.469 4.640 0.002 0.000 0.195 70 D C 1.591 177.958 176.300 0.112 0.000 0.997 70 D CA 1.260 55.311 54.000 0.085 0.000 0.840 70 D CB -0.268 40.572 40.800 0.068 0.000 0.947 70 D HN 0.207 nan 8.370 nan 0.000 0.452 71 D N 0.634 121.088 120.400 0.090 0.000 2.097 71 D HA -0.064 4.577 4.640 0.002 0.000 0.195 71 D C 2.362 178.764 176.300 0.170 0.000 0.989 71 D CA 0.381 54.447 54.000 0.110 0.000 0.827 71 D CB -0.286 40.544 40.800 0.050 0.000 0.966 71 D HN 0.279 nan 8.370 nan 0.000 0.456 72 I N 0.738 121.385 120.570 0.129 0.000 2.286 72 I HA -0.203 3.969 4.170 0.002 0.000 0.248 72 I C 2.352 178.627 176.117 0.264 0.000 1.115 72 I CA 0.602 62.012 61.300 0.182 0.000 1.392 72 I CB -0.120 37.928 38.000 0.081 0.000 1.065 72 I HN -0.025 nan 8.210 nan 0.000 0.418 73 I N 0.462 121.148 120.570 0.192 0.000 2.286 73 I HA -0.238 3.933 4.170 0.002 0.000 0.248 73 I C 2.516 178.803 176.117 0.283 0.000 1.115 73 I CA 1.160 62.574 61.300 0.190 0.000 1.392 73 I CB -0.368 37.748 38.000 0.194 0.000 1.065 73 I HN 0.235 nan 8.210 nan 0.000 0.418 74 E N -0.058 120.328 120.200 0.310 0.000 2.106 74 E HA -0.258 4.094 4.350 0.002 0.000 0.192 74 E C 1.747 178.566 176.600 0.366 0.000 0.984 74 E CA 1.194 57.798 56.400 0.340 0.000 0.806 74 E CB -0.400 29.510 29.700 0.350 0.000 0.750 74 E HN 0.609 nan 8.360 nan 0.000 0.458 75 W N 1.799 123.246 121.300 0.246 0.000 2.355 75 W HA -0.121 4.541 4.660 0.002 0.000 0.309 75 W C 1.990 178.585 176.519 0.126 0.000 1.206 75 W CA 1.358 58.856 57.345 0.256 0.000 1.284 75 W CB -0.424 29.144 29.460 0.179 0.000 1.145 75 W HN -0.071 nan 8.180 nan 0.000 0.502 76 I N -0.561 120.038 120.570 0.050 0.000 2.179 76 I HA -0.372 3.800 4.170 0.002 0.000 0.242 76 I C 2.096 178.110 176.117 -0.172 0.000 1.088 76 I CA 1.490 62.653 61.300 -0.229 0.000 1.357 76 I CB -0.928 36.981 38.000 -0.152 0.000 1.051 76 I HN -0.071 nan 8.210 nan 0.000 0.409 77 Y N 1.096 121.390 120.300 -0.009 0.000 2.403 77 Y HA -0.201 4.350 4.550 0.002 0.000 0.291 77 Y C 2.889 178.634 175.900 -0.259 0.000 1.143 77 Y CA 1.316 59.379 58.100 -0.061 0.000 1.257 77 Y CB -0.609 37.822 38.460 -0.050 0.000 0.984 77 Y HN 0.273 nan 8.280 nan 0.000 0.550 78 S N -1.094 114.464 115.700 -0.238 0.000 2.561 78 S HA -0.033 4.438 4.470 0.002 0.000 0.225 78 S C 1.432 175.805 174.600 -0.378 0.000 0.977 78 S CA 0.545 58.465 58.200 -0.468 0.000 0.926 78 S CB -0.590 62.132 63.200 -0.796 0.000 0.769 78 S HN 0.487 nan 8.310 nan 0.000 0.533 79 L N 0.428 121.442 121.223 -0.349 0.000 2.607 79 L HA 0.302 4.643 4.340 0.002 0.000 0.228 79 L C 1.218 177.867 176.870 -0.368 0.000 1.123 79 L CA -0.071 54.587 54.840 -0.304 0.000 0.890 79 L CB -0.122 41.761 42.059 -0.293 0.000 1.103 79 L HN 0.389 nan 8.230 nan 0.000 0.468 80 Q N 1.476 120.926 119.800 -0.583 0.000 2.296 80 Q HA 0.188 4.530 4.340 0.002 0.000 0.262 80 Q C -0.689 174.989 176.000 -0.537 0.000 0.981 80 Q CA -0.247 54.952 55.803 -1.006 0.000 0.905 80 Q CB 1.434 29.554 28.738 -1.029 0.000 1.186 80 Q HN -0.019 nan 8.270 nan 0.000 0.399 81 V N 7.044 126.684 119.914 -0.457 0.000 2.356 81 V HA 0.148 4.269 4.120 0.002 0.000 0.258 81 V C 0.212 176.160 176.094 -0.243 0.000 1.065 81 V CA -0.092 62.045 62.300 -0.272 0.000 0.935 81 V CB 0.044 31.753 31.823 -0.189 0.000 1.061 81 V HN 0.727 nan 8.190 nan 0.000 0.484 82 L N 7.995 129.092 121.223 -0.210 0.000 2.399 82 L HA 0.474 4.816 4.340 0.002 0.000 0.266 82 L C -1.866 174.930 176.870 -0.123 0.000 1.114 82 L CA -1.843 52.897 54.840 -0.167 0.000 0.804 82 L CB 1.304 43.269 42.059 -0.157 0.000 1.146 82 L HN 0.374 nan 8.230 nan 0.000 0.451 83 P HA 0.070 nan 4.420 nan 0.000 0.271 83 P C -0.458 176.797 177.300 -0.075 0.000 1.216 83 P CA -0.348 62.703 63.100 -0.082 0.000 0.776 83 P CB 0.641 32.297 31.700 -0.073 0.000 0.881 84 T N -1.502 113.013 114.554 -0.065 0.000 2.698 84 T HA 0.251 4.602 4.350 0.002 0.000 0.295 84 T C 1.755 176.423 174.700 -0.053 0.000 1.007 84 T CA 0.300 62.365 62.100 -0.058 0.000 0.980 84 T CB -0.368 68.470 68.868 -0.051 0.000 1.036 84 T HN 0.438 nan 8.240 nan 0.000 0.526 85 E N 1.098 121.270 120.200 -0.048 0.000 2.048 85 E HA -0.263 4.088 4.350 0.002 0.000 0.202 85 E C 1.589 178.165 176.600 -0.041 0.000 1.021 85 E CA 2.052 58.426 56.400 -0.043 0.000 0.825 85 E CB -1.612 28.065 29.700 -0.038 0.000 0.756 85 E HN 0.987 nan 8.360 nan 0.000 0.454 86 D N -0.639 119.738 120.400 -0.039 0.000 2.371 86 D HA -0.085 4.556 4.640 0.002 0.000 0.221 86 D C 0.539 176.815 176.300 -0.038 0.000 0.986 86 D CA 0.493 54.471 54.000 -0.037 0.000 0.899 86 D CB -0.403 40.376 40.800 -0.035 0.000 0.902 86 D HN 0.519 nan 8.370 nan 0.000 0.530 87 R N -0.416 120.058 120.500 -0.043 0.000 3.516 87 R HA -0.167 4.175 4.340 0.002 0.000 0.271 87 R C 0.606 176.881 176.300 -0.042 0.000 1.098 87 R CA 0.894 56.967 56.100 -0.045 0.000 0.732 87 R CB -2.963 27.311 30.300 -0.043 0.000 1.152 87 R HN 0.485 nan 8.270 nan 0.000 0.455 88 S N -0.018 115.657 115.700 -0.042 0.000 2.575 88 S HA -0.017 4.454 4.470 0.002 0.000 0.215 88 S C 1.016 175.589 174.600 -0.044 0.000 0.966 88 S CA 0.250 58.426 58.200 -0.041 0.000 0.911 88 S CB 0.100 63.276 63.200 -0.041 0.000 0.780 88 S HN 0.544 nan 8.310 nan 0.000 0.514 89 N N 1.118 119.790 118.700 -0.048 0.000 2.338 89 N HA 0.207 4.948 4.740 0.002 0.000 0.251 89 N C 0.892 176.372 175.510 -0.050 0.000 1.199 89 N CA -0.381 52.639 53.050 -0.050 0.000 0.879 89 N CB -0.450 38.005 38.487 -0.054 0.000 1.159 89 N HN 0.322 nan 8.380 nan 0.000 0.514 90 L N 0.358 121.553 121.223 -0.046 0.000 2.042 90 L HA -0.165 4.176 4.340 0.002 0.000 0.210 90 L C 1.009 177.856 176.870 -0.038 0.000 1.076 90 L CA 1.544 56.358 54.840 -0.044 0.000 0.749 90 L CB -0.281 41.755 42.059 -0.039 0.000 0.893 90 L HN 0.075 nan 8.230 nan 0.000 0.432 91 D N -0.146 120.234 120.400 -0.033 0.000 2.384 91 D HA -0.117 4.524 4.640 0.002 0.000 0.222 91 D C 1.618 177.901 176.300 -0.028 0.000 0.976 91 D CA 0.822 54.806 54.000 -0.026 0.000 0.915 91 D CB 0.026 40.811 40.800 -0.025 0.000 0.896 91 D HN 0.387 nan 8.370 nan 0.000 0.523 92 R N -0.722 119.756 120.500 -0.037 0.000 2.472 92 R HA 0.221 4.563 4.340 0.002 0.000 0.279 92 R C 0.162 176.433 176.300 -0.049 0.000 0.953 92 R CA -0.199 55.878 56.100 -0.038 0.000 1.088 92 R CB 0.077 30.353 30.300 -0.040 0.000 1.197 92 R HN 0.064 nan 8.270 nan 0.000 0.536 93 C N 0.927 120.195 119.300 -0.054 0.000 2.595 93 C HA 0.742 5.203 4.460 0.002 0.000 0.384 93 C C 1.440 176.398 174.990 -0.053 0.000 1.289 93 C CA 0.497 59.470 59.018 -0.075 0.000 2.372 93 C CB 0.939 28.630 27.740 -0.081 0.000 2.593 93 C HN 0.795 nan 8.230 nan 0.000 0.639 94 G N 0.637 109.384 108.800 -0.087 0.000 2.366 94 G HA2 0.244 4.205 3.960 0.002 0.000 0.190 94 G HA3 0.244 4.205 3.960 0.002 0.000 0.190 94 G C -1.589 173.263 174.900 -0.080 0.000 1.299 94 G CA -0.554 44.563 45.100 0.028 0.000 1.056 94 G HN 0.430 nan 8.290 nan 0.000 0.468 95 F N 1.346 121.251 119.950 -0.074 0.000 2.561 95 F HA 0.767 5.295 4.527 0.002 0.000 0.321 95 F C 0.892 176.650 175.800 -0.069 0.000 1.065 95 F CA -0.737 57.202 58.000 -0.101 0.000 0.934 95 F CB 2.061 40.975 39.000 -0.143 0.000 1.215 95 F HN 0.436 nan 8.300 nan 0.000 0.471 96 R N 0.143 120.681 120.500 0.064 0.000 2.532 96 R HA 0.492 4.833 4.340 0.002 0.000 0.272 96 R C 0.982 177.313 176.300 0.051 0.000 1.032 96 R CA -0.373 55.761 56.100 0.057 0.000 1.089 96 R CB 0.608 30.895 30.300 -0.023 0.000 1.098 96 R HN 0.902 nan 8.270 nan 0.000 0.526 97 G N -0.060 108.791 108.800 0.085 0.000 2.511 97 G HA2 -0.094 3.867 3.960 0.002 0.000 0.217 97 G HA3 -0.094 3.867 3.960 0.002 0.000 0.217 97 G C 0.295 175.233 174.900 0.062 0.000 1.133 97 G CA 0.872 45.979 45.100 0.012 0.000 0.792 97 G HN 0.649 nan 8.290 nan 0.000 0.539 98 S N -1.964 113.825 115.700 0.150 0.000 2.671 98 S HA 0.324 4.796 4.470 0.002 0.000 0.270 98 S C 0.382 175.079 174.600 0.162 0.000 1.166 98 S CA 0.488 58.797 58.200 0.182 0.000 0.868 98 S CB 0.641 64.011 63.200 0.284 0.000 1.190 98 S HN 0.504 nan 8.310 nan 0.000 0.494 99 S N 0.271 116.073 115.700 0.169 0.000 2.622 99 S HA 0.129 4.600 4.470 0.002 0.000 0.236 99 S C 1.336 175.964 174.600 0.048 0.000 0.956 99 S CA 0.207 58.446 58.200 0.065 0.000 0.971 99 S CB -1.343 61.935 63.200 0.131 0.000 0.782 99 S HN 1.046 nan 8.310 nan 0.000 0.468 100 Y N 0.755 121.076 120.300 0.035 0.000 2.365 100 Y HA 0.040 4.592 4.550 0.002 0.000 0.287 100 Y C 1.453 177.362 175.900 0.014 0.000 1.162 100 Y CA 0.434 58.553 58.100 0.032 0.000 1.260 100 Y CB -0.708 37.770 38.460 0.029 0.000 0.976 100 Y HN 0.313 nan 8.280 nan 0.000 0.548 101 L N 0.377 121.214 121.223 -0.643 0.000 2.478 101 L HA 0.148 4.489 4.340 0.002 0.000 0.223 101 L C 1.820 178.587 176.870 -0.171 0.000 1.140 101 L CA 1.002 55.556 54.840 -0.476 0.000 0.842 101 L CB -0.623 41.022 42.059 -0.691 0.000 0.953 101 L HN 0.680 nan 8.230 nan 0.000 0.452 102 G N 0.708 109.447 108.800 -0.101 0.000 2.132 102 G HA2 -0.257 3.704 3.960 0.002 0.000 0.234 102 G HA3 -0.257 3.704 3.960 0.002 0.000 0.234 102 G C 0.225 175.127 174.900 0.004 0.000 0.989 102 G CA -0.321 44.775 45.100 -0.006 0.000 0.676 102 G HN 0.259 nan 8.290 nan 0.000 0.522 103 I N 2.791 123.332 120.570 -0.048 0.000 2.556 103 I HA 0.200 4.371 4.170 0.002 0.000 0.284 103 I C -0.814 175.309 176.117 0.010 0.000 1.114 103 I CA -1.654 59.631 61.300 -0.025 0.000 1.418 103 I CB 0.693 38.635 38.000 -0.096 0.000 1.394 103 I HN 0.025 nan 8.210 nan 0.000 0.552 104 P HA -0.100 nan 4.420 nan 0.000 0.262 104 P C -0.419 176.932 177.300 0.085 0.000 1.182 104 P CA -0.089 63.053 63.100 0.069 0.000 0.761 104 P CB 0.295 32.025 31.700 0.051 0.000 0.795 105 F N 3.932 123.882 119.950 0.001 0.000 2.549 105 F HA -0.026 4.503 4.527 0.002 0.000 0.400 105 F C 0.537 176.335 175.800 -0.004 0.000 1.011 105 F CA 0.833 58.836 58.000 0.006 0.000 1.148 105 F CB -0.162 38.859 39.000 0.034 0.000 0.993 105 F HN 0.347 nan 8.300 nan 0.000 0.540 106 N N 7.937 126.316 118.700 -0.535 0.000 2.653 106 N HA 0.279 5.020 4.740 0.002 0.000 0.261 106 N C -2.915 172.305 175.510 -0.484 0.000 1.216 106 N CA -2.026 50.797 53.050 -0.379 0.000 0.784 106 N CB 1.233 39.605 38.487 -0.192 0.000 1.327 106 N HN 0.166 nan 8.380 nan 0.000 0.539 107 P HA 0.054 nan 4.420 nan 0.000 0.235 107 P C -0.639 176.553 177.300 -0.181 0.000 1.670 107 P CA 0.224 63.142 63.100 -0.304 0.000 1.017 107 P CB -0.642 30.969 31.700 -0.149 0.000 1.945 108 S N -1.135 114.452 115.700 -0.189 0.000 3.549 108 S HA -0.232 4.240 4.470 0.002 0.000 0.366 108 S C 1.371 175.855 174.600 -0.193 0.000 1.012 108 S CA 1.620 59.709 58.200 -0.185 0.000 1.141 108 S CB -1.581 61.511 63.200 -0.179 0.000 0.910 108 S HN 0.742 nan 8.310 nan 0.000 0.471 109 K N 0.737 121.043 120.400 -0.158 0.000 2.167 109 K HA 0.235 4.556 4.320 0.002 0.000 0.214 109 K C 0.450 176.989 176.600 -0.102 0.000 1.024 109 K CA 1.063 57.276 56.287 -0.122 0.000 0.951 109 K CB -0.467 31.980 32.500 -0.089 0.000 0.907 109 K HN 0.683 nan 8.250 nan 0.000 0.459 110 N N 1.168 119.814 118.700 -0.090 0.000 2.347 110 N HA 0.217 4.959 4.740 0.002 0.000 0.253 110 N C -2.405 173.053 175.510 -0.086 0.000 1.274 110 N CA -1.441 51.564 53.050 -0.075 0.000 0.941 110 N CB 0.581 39.032 38.487 -0.059 0.000 1.200 110 N HN 0.337 nan 8.380 nan 0.000 0.514 111 P HA 0.074 nan 4.420 nan 0.000 0.275 111 P C -0.303 176.949 177.300 -0.081 0.000 1.266 111 P CA -0.374 62.679 63.100 -0.078 0.000 0.793 111 P CB 0.183 31.845 31.700 -0.064 0.000 1.074 112 G N 0.079 108.829 108.800 -0.084 0.000 2.365 112 G HA2 0.343 4.304 3.960 0.002 0.000 0.249 112 G HA3 0.343 4.304 3.960 0.002 0.000 0.249 112 G C 0.105 174.968 174.900 -0.062 0.000 1.288 112 G CA -0.189 44.861 45.100 -0.084 0.000 0.887 112 G HN 0.577 nan 8.290 nan 0.000 0.524 113 T N 0.155 114.677 114.554 -0.054 0.000 2.762 113 T HA 0.607 4.958 4.350 0.002 0.000 0.303 113 T C 0.641 175.335 174.700 -0.011 0.000 0.977 113 T CA -0.132 61.949 62.100 -0.031 0.000 0.961 113 T CB 1.284 70.139 68.868 -0.021 0.000 0.944 113 T HN 1.013 nan 8.240 nan 0.000 0.481 114 A N 3.374 126.184 122.820 -0.017 0.000 2.587 114 A HA 0.283 4.604 4.320 0.002 0.000 0.233 114 A C 0.330 177.935 177.584 0.035 0.000 1.049 114 A CA 0.178 52.209 52.037 -0.010 0.000 0.754 114 A CB -0.207 18.772 19.000 -0.036 0.000 0.977 114 A HN 1.049 nan 8.150 nan 0.000 0.509 115 H N 2.778 121.804 119.070 -0.074 0.000 3.099 115 H HA 0.300 4.857 4.556 0.002 0.000 0.342 115 H C -2.453 172.810 175.328 -0.109 0.000 1.054 115 H CA -1.279 54.730 56.048 -0.065 0.000 1.328 115 H CB 1.825 31.557 29.762 -0.050 0.000 1.876 115 H HN 0.360 nan 8.280 nan 0.000 0.495 116 P HA -0.121 nan 4.420 nan 0.000 0.217 116 P C 0.056 177.070 177.300 -0.476 0.000 1.148 116 P CA 1.527 64.428 63.100 -0.332 0.000 0.834 116 P CB 0.107 31.539 31.700 -0.447 0.000 0.783 117 Y N -2.638 117.886 120.300 0.373 0.000 2.641 117 Y HA 0.257 4.808 4.550 0.002 0.000 0.248 117 Y C 0.184 176.078 175.900 -0.010 0.000 1.170 117 Y CA -1.015 57.180 58.100 0.158 0.000 1.201 117 Y CB -0.107 38.444 38.460 0.152 0.000 1.232 117 Y HN -0.157 nan 8.280 nan 0.000 0.537 118 D N 0.956 121.362 120.400 0.009 0.000 2.339 118 D HA 0.447 5.088 4.640 0.002 0.000 0.241 118 D C -0.432 175.827 176.300 -0.068 0.000 1.183 118 D CA 0.409 54.313 54.000 -0.160 0.000 0.859 118 D CB 0.671 41.318 40.800 -0.255 0.000 1.067 118 D HN -0.004 nan 8.370 nan 0.000 0.484 119 S N 1.409 117.084 115.700 -0.041 0.000 2.638 119 S HA 0.793 5.265 4.470 0.002 0.000 0.274 119 S C 0.063 174.661 174.600 -0.002 0.000 1.157 119 S CA -0.867 57.321 58.200 -0.021 0.000 0.826 119 S CB 1.682 64.887 63.200 0.008 0.000 1.139 119 S HN 0.506 nan 8.310 nan 0.000 0.474 120 G N 0.173 108.970 108.800 -0.005 0.000 2.562 120 G HA2 0.476 4.437 3.960 0.002 0.000 0.275 120 G HA3 0.476 4.437 3.960 0.002 0.000 0.275 120 G C -0.985 173.958 174.900 0.072 0.000 1.196 120 G CA -0.067 45.053 45.100 0.034 0.000 0.908 120 G HN 0.630 nan 8.290 nan 0.000 0.524 121 H N 0.923 119.992 119.070 -0.002 0.000 2.658 121 H HA 0.226 4.783 4.556 0.002 0.000 0.337 121 H C 1.063 176.351 175.328 -0.066 0.000 1.009 121 H CA -0.708 55.312 56.048 -0.047 0.000 1.231 121 H CB 1.771 31.520 29.762 -0.022 0.000 1.508 121 H HN 0.388 nan 8.280 nan 0.000 0.517 122 I N 3.999 124.416 120.570 -0.254 0.000 2.236 122 I HA -0.345 3.827 4.170 0.002 0.000 0.249 122 I C 1.908 178.068 176.117 0.072 0.000 1.102 122 I CA 1.953 63.169 61.300 -0.140 0.000 1.365 122 I CB -0.051 37.765 38.000 -0.307 0.000 1.051 122 I HN 0.705 nan 8.210 nan 0.000 0.420 123 A N -0.253 122.741 122.820 0.291 0.000 2.066 123 A HA -0.122 4.200 4.320 0.002 0.000 0.218 123 A C 2.084 179.758 177.584 0.150 0.000 1.157 123 A CA 1.052 53.297 52.037 0.347 0.000 0.670 123 A CB -0.255 19.013 19.000 0.446 0.000 0.804 123 A HN 0.422 nan 8.150 nan 0.000 0.453 124 M N -0.903 118.784 119.600 0.144 0.000 2.357 124 M HA 0.002 4.484 4.480 0.002 0.000 0.266 124 M C 2.012 178.252 176.300 -0.100 0.000 1.095 124 M CA 1.530 56.815 55.300 -0.025 0.000 1.156 124 M CB -1.918 30.700 32.600 0.030 0.000 1.365 124 M HN 0.316 nan 8.290 nan 0.000 0.447 125 T N 0.523 115.084 114.554 0.013 0.000 2.746 125 T HA -0.166 4.185 4.350 0.002 0.000 0.267 125 T C 1.689 176.269 174.700 -0.201 0.000 1.039 125 T CA 1.455 63.529 62.100 -0.044 0.000 1.142 125 T CB -0.461 68.461 68.868 0.089 0.000 0.866 125 T HN 0.344 nan 8.240 nan 0.000 0.444 126 Y N 3.093 123.263 120.300 -0.216 0.000 2.070 126 Y HA -0.211 4.340 4.550 0.002 0.000 0.279 126 Y C 2.721 178.406 175.900 -0.357 0.000 1.134 126 Y CA 1.962 59.905 58.100 -0.263 0.000 1.113 126 Y CB -1.325 37.006 38.460 -0.214 0.000 0.981 126 Y HN 0.296 nan 8.280 nan 0.000 0.487 127 T N -1.845 112.119 114.554 -0.983 0.000 2.881 127 T HA -0.064 4.287 4.350 0.002 0.000 0.270 127 T C 2.205 176.512 174.700 -0.655 0.000 1.068 127 T CA 1.179 62.606 62.100 -1.121 0.000 1.131 127 T CB -1.406 66.929 68.868 -0.889 0.000 0.871 127 T HN 0.459 nan 8.240 nan 0.000 0.479 128 G N 1.920 110.349 108.800 -0.618 0.000 2.453 128 G HA2 -0.051 3.910 3.960 0.002 0.000 0.215 128 G HA3 -0.051 3.910 3.960 0.002 0.000 0.215 128 G C 1.499 175.962 174.900 -0.729 0.000 1.201 128 G CA 0.748 45.393 45.100 -0.758 0.000 0.784 128 G HN 0.508 nan 8.290 nan 0.000 0.545 129 L N 0.527 121.324 121.223 -0.709 0.000 2.042 129 L HA -0.121 4.220 4.340 0.002 0.000 0.210 129 L C 3.118 179.835 176.870 -0.255 0.000 1.076 129 L CA 1.340 55.931 54.840 -0.414 0.000 0.749 129 L CB -0.512 41.400 42.059 -0.244 0.000 0.893 129 L HN 0.333 nan 8.230 nan 0.000 0.432 130 S N -0.904 114.625 115.700 -0.286 0.000 2.359 130 S HA -0.240 4.231 4.470 0.002 0.000 0.224 130 S C 2.199 176.747 174.600 -0.086 0.000 1.035 130 S CA 1.696 59.792 58.200 -0.173 0.000 1.018 130 S CB -0.336 62.636 63.200 -0.381 0.000 0.876 130 S HN 0.505 nan 8.310 nan 0.000 0.448 131 C N 1.095 120.319 119.300 -0.128 0.000 2.432 131 C HA -0.002 4.460 4.460 0.002 0.000 0.277 131 C C 2.540 177.474 174.990 -0.093 0.000 1.249 131 C CA 0.756 59.729 59.018 -0.074 0.000 1.725 131 C CB -1.605 26.083 27.740 -0.086 0.000 2.028 131 C HN 0.591 nan 8.230 nan 0.000 0.477 132 L N 0.325 121.454 121.223 -0.156 0.000 2.013 132 L HA -0.211 4.131 4.340 0.002 0.000 0.212 132 L C 2.390 179.238 176.870 -0.038 0.000 1.073 132 L CA 1.710 56.478 54.840 -0.119 0.000 0.753 132 L CB -0.581 41.362 42.059 -0.192 0.000 0.890 132 L HN 0.377 nan 8.230 nan 0.000 0.432 133 I N -0.267 120.281 120.570 -0.036 0.000 2.226 133 I HA -0.323 3.848 4.170 0.002 0.000 0.245 133 I C 2.432 178.540 176.117 -0.015 0.000 1.100 133 I CA 1.485 62.778 61.300 -0.011 0.000 1.374 133 I CB -0.244 37.746 38.000 -0.016 0.000 1.057 133 I HN 0.191 nan 8.210 nan 0.000 0.413 134 I N 0.518 121.074 120.570 -0.023 0.000 2.264 134 I HA -0.285 3.887 4.170 0.002 0.000 0.248 134 I C 2.097 178.198 176.117 -0.027 0.000 1.111 134 I CA 1.459 62.741 61.300 -0.030 0.000 1.382 134 I CB -0.228 37.739 38.000 -0.056 0.000 1.060 134 I HN 0.233 nan 8.210 nan 0.000 0.418 135 L N 0.297 121.508 121.223 -0.020 0.000 2.599 135 L HA 0.124 4.465 4.340 0.002 0.000 0.230 135 L C 1.622 178.502 176.870 0.016 0.000 1.141 135 L CA 0.636 55.474 54.840 -0.003 0.000 0.877 135 L CB -0.342 41.721 42.059 0.007 0.000 1.009 135 L HN 0.524 nan 8.230 nan 0.000 0.447 136 G N -0.546 108.264 108.800 0.016 0.000 2.195 136 G HA2 -0.274 3.687 3.960 0.002 0.000 0.246 136 G HA3 -0.274 3.687 3.960 0.002 0.000 0.246 136 G C 0.254 175.186 174.900 0.054 0.000 0.984 136 G CA 0.145 45.262 45.100 0.027 0.000 0.633 136 G HN 0.412 nan 8.290 nan 0.000 0.525 137 D N 0.937 121.382 120.400 0.075 0.000 2.378 137 D HA 0.245 4.886 4.640 0.002 0.000 0.238 137 D C 1.043 177.426 176.300 0.139 0.000 1.180 137 D CA 0.769 54.846 54.000 0.129 0.000 0.895 137 D CB 0.586 41.490 40.800 0.174 0.000 1.192 137 D HN 0.305 nan 8.370 nan 0.000 0.438 138 D N 1.286 121.795 120.400 0.181 0.000 2.363 138 D HA 0.025 4.666 4.640 0.002 0.000 0.214 138 D C 1.082 177.581 176.300 0.331 0.000 1.093 138 D CA -0.307 53.830 54.000 0.229 0.000 0.837 138 D CB -0.023 40.901 40.800 0.206 0.000 0.948 138 D HN 0.264 nan 8.370 nan 0.000 0.507 139 L N 0.312 121.716 121.223 0.301 0.000 4.625 139 L HA -0.295 4.047 4.340 0.002 0.000 0.428 139 L C 1.780 178.758 176.870 0.180 0.000 1.129 139 L CA 1.024 56.045 54.840 0.301 0.000 0.978 139 L CB -2.942 39.312 42.059 0.326 0.000 2.043 139 L HN 0.313 nan 8.230 nan 0.000 0.847 140 S N -1.256 114.524 115.700 0.133 0.000 2.419 140 S HA -0.128 4.344 4.470 0.002 0.000 0.233 140 S C 1.690 176.258 174.600 -0.054 0.000 1.016 140 S CA 1.282 59.486 58.200 0.007 0.000 0.974 140 S CB -0.230 62.977 63.200 0.011 0.000 0.786 140 S HN 0.648 nan 8.310 nan 0.000 0.492 141 R N 0.681 121.132 120.500 -0.082 0.000 2.310 141 R HA 0.308 4.650 4.340 0.002 0.000 0.202 141 R C -0.559 175.735 176.300 -0.009 0.000 0.933 141 R CA -0.059 55.887 56.100 -0.257 0.000 1.054 141 R CB 0.145 29.901 30.300 -0.907 0.000 0.985 141 R HN 0.261 nan 8.270 nan 0.000 0.489 142 V N 1.783 121.795 119.914 0.162 0.000 2.432 142 V HA 0.012 4.133 4.120 0.002 0.000 0.275 142 V C 0.227 176.331 176.094 0.017 0.000 1.043 142 V CA -0.602 61.815 62.300 0.195 0.000 0.925 142 V CB 1.401 33.362 31.823 0.229 0.000 0.985 142 V HN 0.090 nan 8.190 nan 0.000 0.466 143 D N 4.867 125.257 120.400 -0.017 0.000 2.545 143 D HA 0.083 4.724 4.640 0.002 0.000 0.227 143 D C 1.322 177.586 176.300 -0.060 0.000 1.150 143 D CA 0.047 54.008 54.000 -0.065 0.000 1.046 143 D CB 0.389 41.139 40.800 -0.082 0.000 1.098 143 D HN 0.504 nan 8.370 nan 0.000 0.502 144 K N 1.215 121.562 120.400 -0.088 0.000 2.077 144 K HA -0.203 4.118 4.320 0.002 0.000 0.213 144 K C 1.485 178.036 176.600 -0.082 0.000 1.051 144 K CA 1.119 57.346 56.287 -0.100 0.000 0.929 144 K CB 0.241 32.625 32.500 -0.193 0.000 0.715 144 K HN 0.349 nan 8.250 nan 0.000 0.451 145 E N 0.213 120.361 120.200 -0.086 0.000 2.110 145 E HA -0.148 4.203 4.350 0.002 0.000 0.193 145 E C 2.006 178.575 176.600 -0.052 0.000 0.988 145 E CA 1.125 57.484 56.400 -0.067 0.000 0.804 145 E CB -0.203 29.457 29.700 -0.066 0.000 0.745 145 E HN 0.343 nan 8.360 nan 0.000 0.458 146 A N 0.784 123.571 122.820 -0.056 0.000 1.898 146 A HA -0.177 4.144 4.320 0.002 0.000 0.216 146 A C 2.650 180.211 177.584 -0.039 0.000 1.181 146 A CA 1.378 53.384 52.037 -0.052 0.000 0.620 146 A CB -0.942 18.017 19.000 -0.068 0.000 0.819 146 A HN 0.338 nan 8.150 nan 0.000 0.442 147 C N -0.660 118.623 119.300 -0.029 0.000 2.413 147 C HA -0.098 4.364 4.460 0.002 0.000 0.276 147 C C 2.656 177.638 174.990 -0.013 0.000 1.236 147 C CA 1.124 60.140 59.018 -0.003 0.000 1.735 147 C CB -1.544 26.217 27.740 0.036 0.000 2.031 147 C HN 0.631 nan 8.230 nan 0.000 0.474 148 L N 0.931 122.137 121.223 -0.028 0.000 2.083 148 L HA -0.172 4.170 4.340 0.002 0.000 0.209 148 L C 2.850 179.717 176.870 -0.005 0.000 1.083 148 L CA 1.579 56.404 54.840 -0.025 0.000 0.752 148 L CB -0.768 41.269 42.059 -0.038 0.000 0.899 148 L HN 0.368 nan 8.230 nan 0.000 0.433 149 A N 0.314 123.126 122.820 -0.013 0.000 1.898 149 A HA -0.101 4.220 4.320 0.002 0.000 0.216 149 A C 2.418 180.001 177.584 -0.001 0.000 1.181 149 A CA 1.655 53.687 52.037 -0.008 0.000 0.620 149 A CB -1.173 17.814 19.000 -0.021 0.000 0.819 149 A HN 0.430 nan 8.150 nan 0.000 0.442 150 G N -0.439 108.357 108.800 -0.006 0.000 2.418 150 G HA2 -0.156 3.805 3.960 0.002 0.000 0.217 150 G HA3 -0.156 3.805 3.960 0.002 0.000 0.217 150 G C 1.584 176.497 174.900 0.021 0.000 1.158 150 G CA 0.903 46.001 45.100 -0.003 0.000 0.771 150 G HN 0.405 nan 8.290 nan 0.000 0.545 151 L N -0.159 121.083 121.223 0.031 0.000 1.976 151 L HA -0.073 4.268 4.340 0.002 0.000 0.209 151 L C 3.235 180.214 176.870 0.180 0.000 1.071 151 L CA 1.309 56.197 54.840 0.080 0.000 0.746 151 L CB -0.295 41.782 42.059 0.030 0.000 0.890 151 L HN 0.195 nan 8.230 nan 0.000 0.432 152 R N -0.476 120.098 120.500 0.122 0.000 2.119 152 R HA -0.236 4.105 4.340 0.002 0.000 0.246 152 R C 2.180 178.507 176.300 0.044 0.000 1.146 152 R CA 1.561 57.721 56.100 0.100 0.000 0.962 152 R CB -0.566 29.765 30.300 0.050 0.000 0.863 152 R HN 0.470 nan 8.270 nan 0.000 0.442 153 A N 0.832 123.670 122.820 0.030 0.000 2.070 153 A HA -0.107 4.215 4.320 0.002 0.000 0.220 153 A C 2.049 179.630 177.584 -0.006 0.000 1.159 153 A CA 1.116 53.153 52.037 0.000 0.000 0.656 153 A CB -0.351 18.647 19.000 -0.004 0.000 0.800 153 A HN 0.212 nan 8.150 nan 0.000 0.453 154 L N -1.008 120.242 121.223 0.045 0.000 2.418 154 L HA 0.017 4.358 4.340 0.002 0.000 0.218 154 L C 1.477 178.304 176.870 -0.072 0.000 1.125 154 L CA 0.064 54.940 54.840 0.059 0.000 0.835 154 L CB -0.260 41.907 42.059 0.180 0.000 0.953 154 L HN 0.510 nan 8.230 nan 0.000 0.454 155 Q N 1.292 120.906 119.800 -0.309 0.000 2.332 155 Q HA 0.307 4.648 4.340 0.002 0.000 0.263 155 Q C -0.577 175.174 176.000 -0.416 0.000 0.979 155 Q CA -0.087 55.221 55.803 -0.826 0.000 0.885 155 Q CB 0.927 29.046 28.738 -1.032 0.000 1.218 155 Q HN 0.232 nan 8.270 nan 0.000 0.405 156 L N 2.165 123.153 121.223 -0.393 0.000 2.416 156 L HA 0.240 4.581 4.340 0.002 0.000 0.263 156 L C 1.203 177.970 176.870 -0.172 0.000 1.065 156 L CA -0.616 54.098 54.840 -0.210 0.000 0.798 156 L CB 0.551 42.519 42.059 -0.152 0.000 1.267 156 L HN 0.754 nan 8.230 nan 0.000 0.467 157 E N 1.071 121.213 120.200 -0.095 0.000 2.118 157 E HA -0.256 4.095 4.350 0.002 0.000 0.195 157 E C 1.263 177.839 176.600 -0.040 0.000 0.992 157 E CA 1.808 58.172 56.400 -0.060 0.000 0.804 157 E CB -0.022 29.659 29.700 -0.031 0.000 0.741 157 E HN 0.715 nan 8.360 nan 0.000 0.458 158 D N -1.665 118.722 120.400 -0.022 0.000 2.363 158 D HA 0.038 4.679 4.640 0.002 0.000 0.226 158 D C 1.371 177.710 176.300 0.065 0.000 1.020 158 D CA 0.930 54.964 54.000 0.056 0.000 0.892 158 D CB -0.020 40.867 40.800 0.145 0.000 0.900 158 D HN 0.331 nan 8.370 nan 0.000 0.531 159 G N -0.106 108.642 108.800 -0.086 0.000 2.258 159 G HA2 -0.298 3.664 3.960 0.002 0.000 0.233 159 G HA3 -0.298 3.664 3.960 0.002 0.000 0.233 159 G C 0.570 175.283 174.900 -0.312 0.000 1.006 159 G CA 0.447 45.474 45.100 -0.122 0.000 0.620 159 G HN 0.817 nan 8.290 nan 0.000 0.511 160 S N -0.163 115.211 115.700 -0.544 0.000 2.640 160 S HA 0.811 5.283 4.470 0.002 0.000 0.262 160 S C -0.127 174.231 174.600 -0.403 0.000 1.232 160 S CA -0.233 57.577 58.200 -0.650 0.000 0.988 160 S CB 1.209 63.712 63.200 -1.163 0.000 1.034 160 S HN 0.575 nan 8.310 nan 0.000 0.569 161 F N -1.484 118.384 119.950 -0.136 0.000 2.611 161 F HA 0.602 5.130 4.527 0.002 0.000 0.324 161 F C 0.298 176.164 175.800 0.109 0.000 1.061 161 F CA -1.013 56.984 58.000 -0.004 0.000 0.954 161 F CB 1.512 40.533 39.000 0.036 0.000 1.301 161 F HN 0.666 nan 8.300 nan 0.000 0.482 162 C N 0.436 119.859 119.300 0.205 0.000 2.407 162 C HA 0.704 5.165 4.460 0.002 0.000 0.366 162 C C 1.439 176.252 174.990 -0.294 0.000 1.213 162 C CA -0.044 59.015 59.018 0.068 0.000 2.011 162 C CB 1.385 29.124 27.740 -0.002 0.000 2.306 162 C HN 0.969 nan 8.230 nan 0.000 0.527 163 A N 0.530 122.933 122.820 -0.694 0.000 1.984 163 A HA 0.363 4.684 4.320 0.002 0.000 0.214 163 A C 0.589 177.761 177.584 -0.687 0.000 1.173 163 A CA 1.201 52.535 52.037 -1.171 0.000 0.673 163 A CB -0.178 17.820 19.000 -1.670 0.000 0.830 163 A HN 1.266 nan 8.150 nan 0.000 0.453 164 V N -4.896 114.798 119.914 -0.367 0.000 2.925 164 V HA 0.501 4.622 4.120 0.002 0.000 0.311 164 V C -2.371 173.675 176.094 -0.080 0.000 1.104 164 V CA -1.679 60.514 62.300 -0.177 0.000 0.954 164 V CB 1.820 33.595 31.823 -0.080 0.000 1.022 164 V HN 0.064 nan 8.190 nan 0.000 0.427 165 P HA -0.113 nan 4.420 nan 0.000 0.219 165 P C 0.934 178.235 177.300 0.001 0.000 1.146 165 P CA 1.379 64.467 63.100 -0.020 0.000 0.808 165 P CB 0.427 32.117 31.700 -0.017 0.000 0.779 166 E N -0.202 120.011 120.200 0.023 0.000 2.338 166 E HA 0.218 4.569 4.350 0.002 0.000 0.197 166 E C 1.143 177.768 176.600 0.042 0.000 1.007 166 E CA 0.902 57.333 56.400 0.053 0.000 0.849 166 E CB -0.596 29.166 29.700 0.103 0.000 0.774 166 E HN 0.361 nan 8.360 nan 0.000 0.506 167 G N -0.562 108.251 108.800 0.021 0.000 2.592 167 G HA2 0.258 4.219 3.960 0.002 0.000 0.685 167 G HA3 0.258 4.219 3.960 0.002 0.000 0.685 167 G C -0.353 174.566 174.900 0.031 0.000 1.278 167 G CA -0.483 44.631 45.100 0.023 0.000 0.822 167 G HN 0.606 nan 8.290 nan 0.000 0.652 168 S N -0.455 115.271 115.700 0.043 0.000 2.669 168 S HA 0.746 5.218 4.470 0.002 0.000 0.266 168 S C -0.452 174.219 174.600 0.119 0.000 1.149 168 S CA 0.109 58.357 58.200 0.080 0.000 0.842 168 S CB 1.446 64.682 63.200 0.060 0.000 1.160 168 S HN 2.023 nan 8.310 nan 0.000 0.487 169 E N 1.347 121.651 120.200 0.174 0.000 2.392 169 E HA 0.321 4.673 4.350 0.002 0.000 0.256 169 E C -0.822 175.924 176.600 0.244 0.000 1.145 169 E CA -0.446 56.054 56.400 0.166 0.000 0.929 169 E CB 0.126 29.911 29.700 0.141 0.000 0.998 169 E HN 0.759 nan 8.360 nan 0.000 0.442 170 N N 0.573 119.368 118.700 0.158 0.000 2.249 170 N HA 0.393 5.135 4.740 0.002 0.000 0.296 170 N C -1.381 174.157 175.510 0.047 0.000 1.051 170 N CA -0.528 52.619 53.050 0.162 0.000 0.815 170 N CB 2.133 40.670 38.487 0.084 0.000 1.487 170 N HN 0.624 nan 8.380 nan 0.000 0.475 171 D N -0.187 120.194 120.400 -0.033 0.000 2.792 171 D HA 0.114 4.755 4.640 0.002 0.000 0.335 171 D C 0.597 176.874 176.300 -0.040 0.000 1.353 171 D CA -0.659 53.326 54.000 -0.025 0.000 0.839 171 D CB 0.434 41.187 40.800 -0.078 0.000 1.396 171 D HN 0.215 nan 8.370 nan 0.000 0.479 172 M N 0.060 119.719 119.600 0.098 0.000 2.195 172 M HA 0.028 4.509 4.480 0.002 0.000 0.260 172 M C 1.820 178.131 176.300 0.019 0.000 1.066 172 M CA 1.785 57.159 55.300 0.124 0.000 1.089 172 M CB -0.388 32.279 32.600 0.111 0.000 1.377 172 M HN 0.458 nan 8.290 nan 0.000 0.411 173 R N -1.300 119.105 120.500 -0.158 0.000 2.096 173 R HA -0.173 4.168 4.340 0.002 0.000 0.240 173 R C 2.082 178.410 176.300 0.047 0.000 1.139 173 R CA 2.084 58.092 56.100 -0.153 0.000 0.952 173 R CB -0.716 29.317 30.300 -0.445 0.000 0.854 173 R HN 0.434 nan 8.270 nan 0.000 0.436 174 F N -0.345 119.656 119.950 0.086 0.000 2.456 174 F HA -0.087 4.441 4.527 0.002 0.000 0.298 174 F C 2.269 178.014 175.800 -0.092 0.000 1.104 174 F CA -0.117 57.894 58.000 0.018 0.000 1.435 174 F CB -0.009 39.023 39.000 0.053 0.000 1.078 174 F HN -0.167 nan 8.300 nan 0.000 0.546 175 V N -0.329 119.682 119.914 0.161 0.000 2.358 175 V HA -0.324 3.797 4.120 0.002 0.000 0.246 175 V C 2.040 178.138 176.094 0.006 0.000 1.047 175 V CA 1.789 64.150 62.300 0.102 0.000 1.035 175 V CB -0.758 31.193 31.823 0.212 0.000 0.658 175 V HN 0.386 nan 8.190 nan 0.000 0.452 176 Y N 0.311 120.588 120.300 -0.039 0.000 2.200 176 Y HA -0.258 4.293 4.550 0.003 0.000 0.290 176 Y C 2.548 178.327 175.900 -0.201 0.000 1.137 176 Y CA 1.629 59.681 58.100 -0.080 0.000 1.163 176 Y CB -0.758 37.693 38.460 -0.015 0.000 0.988 176 Y HN 0.238 nan 8.280 nan 0.000 0.518 177 C N 0.436 119.566 119.300 -0.282 0.000 2.413 177 C HA -0.156 4.306 4.460 0.002 0.000 0.276 177 C C 3.083 177.794 174.990 -0.465 0.000 1.236 177 C CA 1.282 60.032 59.018 -0.446 0.000 1.735 177 C CB -1.780 25.929 27.740 -0.052 0.000 2.031 177 C HN 0.741 nan 8.230 nan 0.000 0.474 178 A N 0.433 122.949 122.820 -0.506 0.000 1.883 178 A HA -0.184 4.137 4.320 0.002 0.000 0.217 178 A C 2.264 179.592 177.584 -0.427 0.000 1.186 178 A CA 2.434 54.089 52.037 -0.637 0.000 0.624 178 A CB -0.898 17.243 19.000 -1.432 0.000 0.822 178 A HN 0.566 nan 8.150 nan 0.000 0.444 179 S N -0.912 114.603 115.700 -0.310 0.000 2.359 179 S HA -0.215 4.256 4.470 0.002 0.000 0.224 179 S C 1.955 176.387 174.600 -0.279 0.000 1.035 179 S CA 1.479 59.615 58.200 -0.107 0.000 1.018 179 S CB -0.755 62.490 63.200 0.076 0.000 0.876 179 S HN 0.716 nan 8.310 nan 0.000 0.448 180 C N 1.279 120.290 119.300 -0.481 0.000 2.425 180 C HA 0.011 4.472 4.460 0.002 0.000 0.277 180 C C 2.444 177.311 174.990 -0.205 0.000 1.280 180 C CA 0.275 59.047 59.018 -0.410 0.000 1.744 180 C CB -1.379 25.879 27.740 -0.803 0.000 1.989 180 C HN 0.549 nan 8.230 nan 0.000 0.491 181 I N -0.073 120.342 120.570 -0.257 0.000 2.179 181 I HA -0.232 3.939 4.170 0.002 0.000 0.242 181 I C 2.600 178.558 176.117 -0.265 0.000 1.088 181 I CA 1.432 62.624 61.300 -0.180 0.000 1.357 181 I CB -0.569 37.326 38.000 -0.175 0.000 1.051 181 I HN 0.358 nan 8.210 nan 0.000 0.409 182 C N -0.147 118.863 119.300 -0.484 0.000 2.413 182 C HA -0.236 4.225 4.460 0.002 0.000 0.276 182 C C 2.816 177.275 174.990 -0.885 0.000 1.248 182 C CA 0.808 59.330 59.018 -0.827 0.000 1.742 182 C CB -1.019 25.871 27.740 -1.417 0.000 2.017 182 C HN 0.510 nan 8.230 nan 0.000 0.481 183 Y N 1.027 120.852 120.300 -0.792 0.000 2.145 183 Y HA -0.191 4.361 4.550 0.003 0.000 0.286 183 Y C 2.490 178.373 175.900 -0.027 0.000 1.145 183 Y CA 1.799 59.730 58.100 -0.282 0.000 1.148 183 Y CB -0.365 38.086 38.460 -0.016 0.000 0.981 183 Y HN 0.242 nan 8.280 nan 0.000 0.507 184 M N -0.600 119.094 119.600 0.156 0.000 2.175 184 M HA -0.190 4.292 4.480 0.002 0.000 0.264 184 M C 1.739 178.222 176.300 0.304 0.000 1.063 184 M CA 1.447 56.884 55.300 0.227 0.000 1.119 184 M CB -0.312 32.379 32.600 0.152 0.000 1.377 184 M HN 0.260 nan 8.290 nan 0.000 0.415 185 L N 0.022 121.306 121.223 0.100 0.000 2.599 185 L HA 0.016 4.357 4.340 0.002 0.000 0.230 185 L C 0.428 177.322 176.870 0.039 0.000 1.141 185 L CA -0.164 54.753 54.840 0.127 0.000 0.877 185 L CB -0.850 41.183 42.059 -0.042 0.000 1.009 185 L HN 0.431 nan 8.230 nan 0.000 0.447 186 N N 2.073 120.654 118.700 -0.198 0.000 2.714 186 N HA -0.266 4.476 4.740 0.002 0.000 0.252 186 N C -0.474 174.904 175.510 -0.219 0.000 1.014 186 N CA 0.458 53.248 53.050 -0.432 0.000 0.735 186 N CB -0.918 37.007 38.487 -0.936 0.000 0.924 186 N HN 0.459 nan 8.380 nan 0.000 0.540 187 N N -0.067 118.464 118.700 -0.282 0.000 2.616 187 N HA 0.163 4.904 4.740 0.002 0.000 0.281 187 N C -0.752 174.606 175.510 -0.254 0.000 1.145 187 N CA -0.530 52.429 53.050 -0.151 0.000 0.919 187 N CB 0.028 38.454 38.487 -0.102 0.000 1.509 187 N HN 0.266 nan 8.380 nan 0.000 0.537 188 W N 2.012 123.314 121.300 0.003 0.000 3.438 188 W HA 0.147 4.808 4.660 0.002 0.000 0.322 188 W C 1.869 178.406 176.519 0.029 0.000 1.261 188 W CA -0.108 57.251 57.345 0.024 0.000 1.788 188 W CB 0.116 29.595 29.460 0.031 0.000 1.065 188 W HN 0.650 nan 8.180 nan 0.000 0.715 189 S N -1.311 114.467 115.700 0.131 0.000 2.555 189 S HA -0.002 4.470 4.470 0.002 0.000 0.230 189 S C 1.948 176.597 174.600 0.082 0.000 0.978 189 S CA 0.856 59.115 58.200 0.099 0.000 0.934 189 S CB -0.417 62.813 63.200 0.050 0.000 0.766 189 S HN 0.258 nan 8.310 nan 0.000 0.533 190 G N 1.392 110.227 108.800 0.058 0.000 2.679 190 G HA2 0.306 4.267 3.960 0.002 0.000 0.212 190 G HA3 0.306 4.267 3.960 0.002 0.000 0.212 190 G C 0.362 175.360 174.900 0.163 0.000 1.137 190 G CA 0.590 45.723 45.100 0.055 0.000 0.787 190 G HN 0.758 nan 8.290 nan 0.000 0.534 191 M N -2.408 117.326 119.600 0.224 0.000 2.644 191 M HA 0.478 4.959 4.480 0.002 0.000 0.273 191 M C -2.213 174.222 176.300 0.225 0.000 1.253 191 M CA -1.031 54.459 55.300 0.316 0.000 0.852 191 M CB 2.091 35.000 32.600 0.514 0.000 1.708 191 M HN -0.182 nan 8.290 nan 0.000 0.471 192 D N 2.202 122.697 120.400 0.157 0.000 2.479 192 D HA 0.251 4.893 4.640 0.002 0.000 0.218 192 D C 0.631 176.999 176.300 0.114 0.000 1.131 192 D CA -0.175 53.881 54.000 0.094 0.000 0.916 192 D CB 0.937 41.752 40.800 0.026 0.000 1.022 192 D HN 0.856 nan 8.370 nan 0.000 0.515 193 M N 3.392 123.070 119.600 0.131 0.000 2.144 193 M HA -0.216 4.266 4.480 0.002 0.000 0.260 193 M C 1.840 178.164 176.300 0.040 0.000 1.067 193 M CA 1.525 56.882 55.300 0.096 0.000 1.095 193 M CB 0.156 32.765 32.600 0.016 0.000 1.365 193 M HN 0.243 nan 8.290 nan 0.000 0.406 194 K N 0.153 120.565 120.400 0.020 0.000 2.026 194 K HA -0.206 4.116 4.320 0.002 0.000 0.208 194 K C 1.851 178.459 176.600 0.014 0.000 1.048 194 K CA 1.674 57.961 56.287 0.001 0.000 0.929 194 K CB -0.016 32.482 32.500 -0.004 0.000 0.713 194 K HN 0.351 nan 8.250 nan 0.000 0.439 195 K N -0.188 120.227 120.400 0.026 0.000 2.097 195 K HA -0.071 4.250 4.320 0.002 0.000 0.205 195 K C 2.083 178.726 176.600 0.072 0.000 1.050 195 K CA 1.007 57.312 56.287 0.030 0.000 0.938 195 K CB -0.049 32.449 32.500 -0.004 0.000 0.718 195 K HN 0.200 nan 8.250 nan 0.000 0.442 196 A N 1.471 124.350 122.820 0.099 0.000 1.877 196 A HA -0.146 4.175 4.320 0.002 0.000 0.216 196 A C 2.074 179.754 177.584 0.160 0.000 1.186 196 A CA 1.240 53.381 52.037 0.174 0.000 0.620 196 A CB -0.556 18.596 19.000 0.254 0.000 0.822 196 A HN 0.167 nan 8.150 nan 0.000 0.443 197 I N -0.472 120.143 120.570 0.075 0.000 2.208 197 I HA -0.239 3.933 4.170 0.002 0.000 0.245 197 I C 2.864 178.978 176.117 -0.005 0.000 1.097 197 I CA 1.553 62.854 61.300 0.003 0.000 1.363 197 I CB -0.246 37.718 38.000 -0.059 0.000 1.051 197 I HN 0.454 nan 8.210 nan 0.000 0.413 198 S N 0.173 115.887 115.700 0.023 0.000 2.368 198 S HA -0.281 4.190 4.470 0.002 0.000 0.225 198 S C 2.184 176.815 174.600 0.051 0.000 1.030 198 S CA 1.416 59.626 58.200 0.016 0.000 0.999 198 S CB -0.471 62.746 63.200 0.028 0.000 0.844 198 S HN 0.494 nan 8.310 nan 0.000 0.459 199 Y N 1.794 122.093 120.300 -0.002 0.000 2.145 199 Y HA -0.065 4.486 4.550 0.002 0.000 0.286 199 Y C 1.974 177.886 175.900 0.021 0.000 1.145 199 Y CA 1.899 60.008 58.100 0.014 0.000 1.148 199 Y CB -0.406 38.075 38.460 0.036 0.000 0.981 199 Y HN 0.301 nan 8.280 nan 0.000 0.507 200 I N -0.198 120.459 120.570 0.146 0.000 2.208 200 I HA -0.358 3.813 4.170 0.002 0.000 0.245 200 I C 2.584 178.715 176.117 0.023 0.000 1.097 200 I CA 1.528 62.878 61.300 0.083 0.000 1.363 200 I CB -0.466 37.599 38.000 0.108 0.000 1.051 200 I HN 0.194 nan 8.210 nan 0.000 0.413 201 R N 0.597 121.077 120.500 -0.033 0.000 2.070 201 R HA -0.143 4.198 4.340 0.002 0.000 0.233 201 R C 2.417 178.713 176.300 -0.008 0.000 1.137 201 R CA 1.420 57.517 56.100 -0.006 0.000 0.945 201 R CB -0.341 29.899 30.300 -0.100 0.000 0.845 201 R HN 0.275 nan 8.270 nan 0.000 0.430 202 R N 0.463 120.909 120.500 -0.091 0.000 2.249 202 R HA -0.085 4.256 4.340 0.002 0.000 0.230 202 R C 2.174 178.363 176.300 -0.185 0.000 1.121 202 R CA 1.505 57.528 56.100 -0.129 0.000 0.997 202 R CB -0.067 30.139 30.300 -0.158 0.000 0.867 202 R HN 0.273 nan 8.270 nan 0.000 0.465 203 S N -0.522 115.039 115.700 -0.231 0.000 2.562 203 S HA -0.002 4.470 4.470 0.002 0.000 0.221 203 S C 0.875 175.375 174.600 -0.167 0.000 0.975 203 S CA -0.225 57.831 58.200 -0.241 0.000 0.918 203 S CB -0.003 63.029 63.200 -0.280 0.000 0.772 203 S HN 0.199 nan 8.310 nan 0.000 0.531 204 M N 3.092 122.626 119.600 -0.109 0.000 2.246 204 M HA 0.222 4.704 4.480 0.002 0.000 0.350 204 M C 0.353 176.557 176.300 -0.160 0.000 1.406 204 M CA -0.016 55.197 55.300 -0.146 0.000 1.089 204 M CB 0.771 33.330 32.600 -0.068 0.000 1.782 204 M HN 0.337 nan 8.290 nan 0.000 0.457 205 S N 3.485 119.030 115.700 -0.259 0.000 2.681 205 S HA 0.199 4.670 4.470 0.002 0.000 0.270 205 S C 0.729 175.187 174.600 -0.238 0.000 1.209 205 S CA -0.470 57.572 58.200 -0.264 0.000 0.988 205 S CB 0.523 63.457 63.200 -0.444 0.000 1.006 205 S HN 0.734 nan 8.310 nan 0.000 0.558 206 Y N 0.692 120.953 120.300 -0.065 0.000 2.421 206 Y HA 0.064 4.615 4.550 0.002 0.000 0.292 206 Y C 1.509 177.397 175.900 -0.021 0.000 1.136 206 Y CA 1.263 59.342 58.100 -0.035 0.000 1.255 206 Y CB -0.767 37.682 38.460 -0.017 0.000 0.991 206 Y HN 0.643 nan 8.280 nan 0.000 0.552 207 D N -0.934 119.012 120.400 -0.756 0.000 2.340 207 D HA -0.062 4.579 4.640 0.002 0.000 0.220 207 D C 0.173 176.365 176.300 -0.180 0.000 1.039 207 D CA 0.486 54.281 54.000 -0.342 0.000 0.866 207 D CB -0.664 39.932 40.800 -0.340 0.000 0.913 207 D HN 0.455 nan 8.370 nan 0.000 0.523 208 N N -1.101 117.422 118.700 -0.295 0.000 2.965 208 N HA -0.099 4.642 4.740 0.002 0.000 0.232 208 N C 0.673 175.867 175.510 -0.526 0.000 0.913 208 N CA 1.158 54.035 53.050 -0.288 0.000 0.981 208 N CB -1.619 36.802 38.487 -0.110 0.000 1.077 208 N HN 0.490 nan 8.380 nan 0.000 0.589 209 G N -0.055 108.128 108.800 -1.029 0.000 2.557 209 G HA2 0.606 4.568 3.960 0.002 0.000 0.292 209 G HA3 0.606 4.568 3.960 0.002 0.000 0.292 209 G C -0.285 174.099 174.900 -0.860 0.000 1.237 209 G CA -0.380 43.780 45.100 -1.566 0.000 0.978 209 G HN 0.035 nan 8.290 nan 0.000 0.498 210 L N 0.377 121.176 121.223 -0.706 0.000 2.307 210 L HA 0.680 5.022 4.340 0.002 0.000 0.284 210 L C 0.771 177.458 176.870 -0.306 0.000 1.023 210 L CA -0.535 54.078 54.840 -0.378 0.000 0.810 210 L CB 1.189 43.112 42.059 -0.226 0.000 1.231 210 L HN 0.706 nan 8.230 nan 0.000 0.423 211 A N 2.201 124.888 122.820 -0.222 0.000 2.263 211 A HA 0.499 4.820 4.320 0.002 0.000 0.318 211 A C 0.779 178.303 177.584 -0.100 0.000 1.111 211 A CA -0.350 51.599 52.037 -0.146 0.000 0.901 211 A CB 0.609 19.529 19.000 -0.133 0.000 1.280 211 A HN 0.700 nan 8.150 nan 0.000 0.503 212 Q N -0.598 119.156 119.800 -0.077 0.000 2.291 212 Q HA 0.077 4.419 4.340 0.002 0.000 0.206 212 Q C 0.732 176.758 176.000 0.044 0.000 0.976 212 Q CA 1.368 57.149 55.803 -0.037 0.000 0.875 212 Q CB -0.040 28.653 28.738 -0.075 0.000 0.927 212 Q HN 0.902 nan 8.270 nan 0.000 0.450 213 G N -1.385 107.388 108.800 -0.046 0.000 2.576 213 G HA2 0.512 4.473 3.960 0.002 0.000 0.290 213 G HA3 0.512 4.473 3.960 0.002 0.000 0.290 213 G C -1.513 173.282 174.900 -0.174 0.000 1.442 213 G CA -0.392 44.633 45.100 -0.125 0.000 0.792 213 G HN 0.140 nan 8.290 nan 0.000 0.491 214 A N -0.721 121.957 122.820 -0.236 0.000 2.587 214 A HA 0.506 4.827 4.320 0.002 0.000 0.235 214 A C 1.821 179.364 177.584 -0.070 0.000 1.044 214 A CA 1.883 53.830 52.037 -0.150 0.000 0.754 214 A CB -0.341 18.580 19.000 -0.131 0.000 0.968 214 A HN 2.866 nan 8.150 nan 0.000 0.509 215 G N 0.777 109.549 108.800 -0.046 0.000 2.304 215 G HA2 -0.207 3.754 3.960 0.002 0.000 0.252 215 G HA3 -0.207 3.754 3.960 0.002 0.000 0.252 215 G C 0.240 175.144 174.900 0.006 0.000 1.014 215 G CA 0.442 45.540 45.100 -0.004 0.000 0.619 215 G HN 0.800 nan 8.290 nan 0.000 0.525 216 L N 1.326 122.536 121.223 -0.021 0.000 2.476 216 L HA 0.447 4.788 4.340 0.002 0.000 0.255 216 L C 1.085 177.943 176.870 -0.020 0.000 1.218 216 L CA -0.425 54.407 54.840 -0.013 0.000 0.819 216 L CB 0.531 42.574 42.059 -0.026 0.000 1.119 216 L HN 0.500 nan 8.230 nan 0.000 0.485 217 E N 0.402 120.602 120.200 0.001 0.000 2.366 217 E HA 0.102 4.454 4.350 0.002 0.000 0.266 217 E C -0.260 176.319 176.600 -0.035 0.000 1.015 217 E CA -0.421 55.980 56.400 0.003 0.000 0.906 217 E CB 0.664 30.393 29.700 0.049 0.000 0.979 217 E HN 0.630 nan 8.360 nan 0.000 0.443 218 S N 4.525 120.145 115.700 -0.134 0.000 2.563 218 S HA 0.004 4.475 4.470 0.002 0.000 0.284 218 S C -0.175 174.404 174.600 -0.035 0.000 1.331 218 S CA -0.366 57.669 58.200 -0.276 0.000 1.047 218 S CB 0.799 63.582 63.200 -0.695 0.000 0.859 218 S HN 0.680 nan 8.310 nan 0.000 0.514 219 H N 0.598 119.558 119.070 -0.183 0.000 2.996 219 H HA 0.361 4.918 4.556 0.002 0.000 0.368 219 H C 1.094 176.503 175.328 0.135 0.000 1.185 219 H CA 0.002 56.079 56.048 0.049 0.000 1.160 219 H CB 1.554 31.303 29.762 -0.022 0.000 1.820 219 H HN 0.720 nan 8.280 nan 0.000 0.547 220 G N 1.776 110.601 108.800 0.042 0.000 2.442 220 G HA2 -0.237 3.724 3.960 0.002 0.000 0.219 220 G HA3 -0.237 3.724 3.960 0.002 0.000 0.219 220 G C 1.444 176.524 174.900 0.300 0.000 1.141 220 G CA 0.846 46.108 45.100 0.270 0.000 0.763 220 G HN 0.654 nan 8.290 nan 0.000 0.554 221 G N 0.961 110.003 108.800 0.403 0.000 2.404 221 G HA2 -0.162 3.800 3.960 0.002 0.000 0.215 221 G HA3 -0.162 3.800 3.960 0.002 0.000 0.215 221 G C 2.228 177.090 174.900 -0.062 0.000 1.174 221 G CA 1.835 46.860 45.100 -0.125 0.000 0.780 221 G HN 0.654 nan 8.290 nan 0.000 0.537 222 S N -0.032 115.695 115.700 0.044 0.000 2.406 222 S HA -0.074 4.398 4.470 0.002 0.000 0.228 222 S C 2.211 176.800 174.600 -0.017 0.000 1.020 222 S CA 1.816 59.998 58.200 -0.030 0.000 0.965 222 S CB -0.593 62.572 63.200 -0.057 0.000 0.798 222 S HN 0.253 nan 8.310 nan 0.000 0.488 223 T N 1.998 116.554 114.554 0.003 0.000 2.777 223 T HA 0.025 4.376 4.350 0.002 0.000 0.266 223 T C 1.258 175.969 174.700 0.018 0.000 1.040 223 T CA 1.360 63.438 62.100 -0.037 0.000 1.141 223 T CB -0.533 68.312 68.868 -0.039 0.000 0.868 223 T HN 0.503 nan 8.240 nan 0.000 0.444 224 F N 1.551 121.491 119.950 -0.016 0.000 2.075 224 F HA -0.158 4.370 4.527 0.002 0.000 0.297 224 F C 2.422 178.170 175.800 -0.088 0.000 1.113 224 F CA 0.742 58.724 58.000 -0.030 0.000 1.218 224 F CB -0.904 38.126 39.000 0.051 0.000 0.984 224 F HN 0.145 nan 8.300 nan 0.000 0.472 225 C N 1.063 120.223 119.300 -0.234 0.000 2.413 225 C HA -0.121 4.340 4.460 0.002 0.000 0.276 225 C C 3.095 178.001 174.990 -0.140 0.000 1.248 225 C CA 1.298 60.135 59.018 -0.300 0.000 1.742 225 C CB -1.989 25.724 27.740 -0.045 0.000 2.017 225 C HN 0.758 nan 8.230 nan 0.000 0.481 226 G N 0.533 109.293 108.800 -0.067 0.000 2.414 226 G HA2 -0.105 3.856 3.960 0.002 0.000 0.215 226 G HA3 -0.105 3.856 3.960 0.002 0.000 0.215 226 G C 1.380 176.287 174.900 0.012 0.000 1.188 226 G CA 0.725 45.839 45.100 0.024 0.000 0.783 226 G HN 0.350 nan 8.290 nan 0.000 0.537 227 I N 2.073 122.613 120.570 -0.049 0.000 2.179 227 I HA -0.141 4.031 4.170 0.002 0.000 0.242 227 I C 3.286 179.347 176.117 -0.094 0.000 1.088 227 I CA 1.266 62.548 61.300 -0.029 0.000 1.357 227 I CB -1.391 36.579 38.000 -0.050 0.000 1.051 227 I HN 0.261 nan 8.210 nan 0.000 0.409 228 A N 0.246 122.884 122.820 -0.304 0.000 1.902 228 A HA -0.183 4.138 4.320 0.002 0.000 0.217 228 A C 2.604 180.190 177.584 0.002 0.000 1.181 228 A CA 2.117 53.995 52.037 -0.264 0.000 0.623 228 A CB -0.777 17.761 19.000 -0.770 0.000 0.818 228 A HN 0.420 nan 8.150 nan 0.000 0.443 229 S N -0.145 115.594 115.700 0.064 0.000 2.356 229 S HA -0.115 4.356 4.470 0.002 0.000 0.223 229 S C 1.839 176.496 174.600 0.095 0.000 1.032 229 S CA 1.515 59.800 58.200 0.142 0.000 1.005 229 S CB -0.472 62.824 63.200 0.161 0.000 0.867 229 S HN 0.521 nan 8.310 nan 0.000 0.449 230 L N 0.616 121.871 121.223 0.055 0.000 2.046 230 L HA -0.172 4.170 4.340 0.002 0.000 0.208 230 L C 2.577 179.457 176.870 0.016 0.000 1.077 230 L CA 0.907 55.758 54.840 0.019 0.000 0.747 230 L CB -0.734 41.347 42.059 0.037 0.000 0.896 230 L HN 0.428 nan 8.230 nan 0.000 0.432 231 C N -0.612 118.709 119.300 0.036 0.000 2.425 231 C HA -0.133 4.328 4.460 0.002 0.000 0.277 231 C C 2.643 177.677 174.990 0.074 0.000 1.280 231 C CA 0.126 59.171 59.018 0.045 0.000 1.744 231 C CB -0.711 27.049 27.740 0.035 0.000 1.989 231 C HN 0.394 nan 8.230 nan 0.000 0.491 232 L N 0.232 121.509 121.223 0.090 0.000 2.131 232 L HA -0.053 4.288 4.340 0.002 0.000 0.210 232 L C 2.306 179.357 176.870 0.302 0.000 1.092 232 L CA 1.802 56.740 54.840 0.163 0.000 0.759 232 L CB -0.665 41.498 42.059 0.173 0.000 0.903 232 L HN 0.365 nan 8.230 nan 0.000 0.435 233 M N -1.590 118.011 119.600 0.002 0.000 2.558 233 M HA 0.203 4.684 4.480 0.002 0.000 0.255 233 M C 1.184 177.350 176.300 -0.224 0.000 1.113 233 M CA 0.690 55.730 55.300 -0.433 0.000 1.097 233 M CB -0.128 32.171 32.600 -0.501 0.000 1.426 233 M HN 0.312 nan 8.290 nan 0.000 0.488 234 G N 2.307 111.080 108.800 -0.045 0.000 2.272 234 G HA2 -0.262 3.699 3.960 0.002 0.000 0.280 234 G HA3 -0.262 3.699 3.960 0.002 0.000 0.280 234 G C 0.224 175.093 174.900 -0.052 0.000 1.067 234 G CA 0.323 45.416 45.100 -0.012 0.000 0.902 234 G HN 0.580 nan 8.290 nan 0.000 0.500 235 K N -0.685 119.678 120.400 -0.061 0.000 2.589 235 K HA 0.337 4.659 4.320 0.002 0.000 0.198 235 K C 1.934 178.506 176.600 -0.047 0.000 1.114 235 K CA -0.521 55.723 56.287 -0.071 0.000 1.070 235 K CB 0.469 32.897 32.500 -0.119 0.000 0.860 235 K HN 0.316 nan 8.250 nan 0.000 0.536 236 L N 1.720 122.944 121.223 0.002 0.000 1.971 236 L HA -0.239 4.103 4.340 0.002 0.000 0.215 236 L C 1.887 178.798 176.870 0.069 0.000 1.072 236 L CA 1.896 56.773 54.840 0.061 0.000 0.758 236 L CB -0.008 42.102 42.059 0.085 0.000 0.889 236 L HN 0.333 nan 8.230 nan 0.000 0.433 237 E N -0.377 119.853 120.200 0.050 0.000 2.118 237 E HA -0.306 4.045 4.350 0.002 0.000 0.195 237 E C 1.893 178.505 176.600 0.020 0.000 0.992 237 E CA 1.448 57.878 56.400 0.049 0.000 0.804 237 E CB -0.217 29.504 29.700 0.035 0.000 0.741 237 E HN 0.613 nan 8.360 nan 0.000 0.458 238 E N 0.791 120.981 120.200 -0.017 0.000 2.152 238 E HA -0.101 4.251 4.350 0.002 0.000 0.192 238 E C 2.031 178.578 176.600 -0.089 0.000 0.983 238 E CA 0.645 57.018 56.400 -0.045 0.000 0.818 238 E CB 0.363 30.028 29.700 -0.058 0.000 0.758 238 E HN 0.024 nan 8.360 nan 0.000 0.467 239 V N 0.312 120.134 119.914 -0.153 0.000 2.446 239 V HA 0.006 4.128 4.120 0.002 0.000 0.244 239 V C 0.706 176.547 176.094 -0.421 0.000 1.039 239 V CA 0.953 63.048 62.300 -0.342 0.000 1.045 239 V CB -0.138 31.371 31.823 -0.523 0.000 0.681 239 V HN 0.095 nan 8.190 nan 0.000 0.459 240 F N 0.439 120.380 119.950 -0.014 0.000 2.469 240 F HA 0.483 5.011 4.527 0.002 0.000 0.332 240 F C 0.880 176.677 175.800 -0.005 0.000 1.103 240 F CA -0.724 57.269 58.000 -0.012 0.000 0.979 240 F CB 1.553 40.544 39.000 -0.014 0.000 1.137 240 F HN -0.017 nan 8.300 nan 0.000 0.463 241 S N 0.983 116.808 115.700 0.208 0.000 2.617 241 S HA 0.061 4.533 4.470 0.002 0.000 0.259 241 S C 1.129 175.790 174.600 0.101 0.000 1.301 241 S CA -0.386 57.881 58.200 0.113 0.000 0.984 241 S CB 1.130 64.379 63.200 0.082 0.000 0.954 241 S HN 0.874 nan 8.310 nan 0.000 0.572 242 E N 0.727 120.966 120.200 0.066 0.000 2.077 242 E HA -0.216 4.135 4.350 0.002 0.000 0.193 242 E C 1.973 178.597 176.600 0.040 0.000 0.989 242 E CA 1.222 57.653 56.400 0.052 0.000 0.800 242 E CB -0.193 29.530 29.700 0.039 0.000 0.746 242 E HN 0.742 nan 8.360 nan 0.000 0.452 243 K N 0.431 120.854 120.400 0.037 0.000 2.057 243 K HA -0.207 4.115 4.320 0.002 0.000 0.207 243 K C 1.987 178.597 176.600 0.016 0.000 1.049 243 K CA 1.742 58.045 56.287 0.026 0.000 0.931 243 K CB 0.008 32.524 32.500 0.026 0.000 0.714 243 K HN 0.174 nan 8.250 nan 0.000 0.440 244 E N 0.569 120.787 120.200 0.030 0.000 2.051 244 E HA -0.176 4.176 4.350 0.002 0.000 0.192 244 E C 2.111 178.654 176.600 -0.096 0.000 0.991 244 E CA 1.191 57.583 56.400 -0.013 0.000 0.799 244 E CB -0.063 29.692 29.700 0.093 0.000 0.748 244 E HN 0.273 nan 8.360 nan 0.000 0.449 245 L N 1.280 122.482 121.223 -0.034 0.000 2.131 245 L HA -0.194 4.148 4.340 0.002 0.000 0.210 245 L C 2.062 178.915 176.870 -0.028 0.000 1.092 245 L CA 0.627 55.436 54.840 -0.051 0.000 0.759 245 L CB -0.407 41.670 42.059 0.030 0.000 0.903 245 L HN 0.151 nan 8.230 nan 0.000 0.435 246 N N 0.290 118.988 118.700 -0.004 0.000 2.120 246 N HA -0.142 4.599 4.740 0.002 0.000 0.188 246 N C 1.927 177.441 175.510 0.006 0.000 1.024 246 N CA 1.178 54.233 53.050 0.009 0.000 0.852 246 N CB -0.169 38.325 38.487 0.012 0.000 1.003 246 N HN 0.328 nan 8.380 nan 0.000 0.424 247 R N 0.408 120.900 120.500 -0.013 0.000 2.092 247 R HA 0.101 4.443 4.340 0.002 0.000 0.231 247 R C 2.249 178.552 176.300 0.005 0.000 1.119 247 R CA 0.729 56.825 56.100 -0.005 0.000 0.970 247 R CB -0.223 30.060 30.300 -0.029 0.000 0.864 247 R HN 0.237 nan 8.270 nan 0.000 0.440 248 I N 1.033 121.562 120.570 -0.069 0.000 2.252 248 I HA -0.273 3.898 4.170 0.002 0.000 0.245 248 I C 2.041 178.204 176.117 0.076 0.000 1.102 248 I CA 1.418 62.677 61.300 -0.068 0.000 1.385 248 I CB -0.223 37.633 38.000 -0.239 0.000 1.064 248 I HN 0.118 nan 8.210 nan 0.000 0.414 249 K N 0.431 120.863 120.400 0.054 0.000 2.063 249 K HA -0.236 4.085 4.320 0.002 0.000 0.208 249 K C 2.248 178.917 176.600 0.115 0.000 1.048 249 K CA 1.389 57.733 56.287 0.095 0.000 0.928 249 K CB -0.232 32.315 32.500 0.078 0.000 0.713 249 K HN 0.053 nan 8.250 nan 0.000 0.442 250 R N 0.616 121.172 120.500 0.093 0.000 2.083 250 R HA -0.192 4.149 4.340 0.002 0.000 0.237 250 R C 1.851 178.211 176.300 0.101 0.000 1.137 250 R CA 1.759 57.906 56.100 0.077 0.000 0.951 250 R CB -0.845 29.491 30.300 0.060 0.000 0.851 250 R HN 0.406 nan 8.270 nan 0.000 0.434 251 W N -0.165 121.120 121.300 -0.026 0.000 2.358 251 W HA -0.232 4.430 4.660 0.002 0.000 0.303 251 W C 2.050 178.574 176.519 0.009 0.000 1.208 251 W CA 1.766 59.094 57.345 -0.028 0.000 1.274 251 W CB -0.542 28.877 29.460 -0.069 0.000 1.138 251 W HN 0.167 nan 8.180 nan 0.000 0.515 252 C N -0.266 119.221 119.300 0.311 0.000 2.462 252 C HA -0.184 4.278 4.460 0.002 0.000 0.278 252 C C 2.673 177.707 174.990 0.073 0.000 1.253 252 C CA 1.172 60.316 59.018 0.211 0.000 1.713 252 C CB -1.516 26.389 27.740 0.275 0.000 2.049 252 C HN 0.445 nan 8.230 nan 0.000 0.477 253 I N 0.525 121.149 120.570 0.091 0.000 2.756 253 I HA -0.142 4.030 4.170 0.002 0.000 0.262 253 I C 1.987 178.084 176.117 -0.032 0.000 1.225 253 I CA 1.113 62.465 61.300 0.087 0.000 1.472 253 I CB -0.069 37.987 38.000 0.094 0.000 1.094 253 I HN 0.272 nan 8.210 nan 0.000 0.454 254 M N -0.231 119.296 119.600 -0.122 0.000 2.619 254 M HA -0.008 4.473 4.480 0.002 0.000 0.251 254 M C 1.700 177.840 176.300 -0.268 0.000 1.106 254 M CA 0.809 55.992 55.300 -0.195 0.000 1.086 254 M CB -0.837 31.631 32.600 -0.219 0.000 1.465 254 M HN 0.162 nan 8.290 nan 0.000 0.506 255 R N 0.375 120.722 120.500 -0.254 0.000 2.235 255 R HA 0.019 4.361 4.340 0.002 0.000 0.213 255 R C 0.898 176.913 176.300 -0.474 0.000 1.059 255 R CA 0.214 56.167 56.100 -0.245 0.000 0.997 255 R CB -0.613 29.675 30.300 -0.020 0.000 0.884 255 R HN 0.539 nan 8.270 nan 0.000 0.462 256 Q N 1.166 120.672 119.800 -0.490 0.000 2.293 256 Q HA -0.007 4.334 4.340 0.002 0.000 0.263 256 Q C 0.217 175.858 176.000 -0.599 0.000 1.002 256 Q CA 0.014 55.298 55.803 -0.866 0.000 0.910 256 Q CB 0.894 29.101 28.738 -0.886 0.000 1.185 256 Q HN -0.031 nan 8.270 nan 0.000 0.401 257 Q N 2.775 122.217 119.800 -0.597 0.000 2.462 257 Q HA 0.096 4.438 4.340 0.002 0.000 0.224 257 Q C 0.251 176.065 176.000 -0.309 0.000 0.911 257 Q CA 1.496 57.048 55.803 -0.417 0.000 0.925 257 Q CB 0.552 29.039 28.738 -0.419 0.000 1.063 257 Q HN 0.876 nan 8.270 nan 0.000 0.572 258 N N -1.274 117.225 118.700 -0.336 0.000 2.539 258 N HA 0.065 4.806 4.740 0.002 0.000 0.326 258 N C 0.788 176.170 175.510 -0.214 0.000 0.622 258 N CA 0.444 53.378 53.050 -0.193 0.000 1.237 258 N CB -0.243 38.190 38.487 -0.091 0.000 1.806 258 N HN 0.098 nan 8.380 nan 0.000 1.552 259 G N -0.987 107.626 108.800 -0.312 0.000 2.641 259 G HA2 0.568 4.529 3.960 0.002 0.000 0.239 259 G HA3 0.568 4.529 3.960 0.002 0.000 0.239 259 G C -1.434 173.263 174.900 -0.338 0.000 1.402 259 G CA -0.305 44.669 45.100 -0.209 0.000 1.046 259 G HN 0.125 nan 8.290 nan 0.000 0.565 260 Y N -0.628 119.608 120.300 -0.108 0.000 2.485 260 Y HA 0.446 4.997 4.550 0.002 0.000 0.345 260 Y C 0.614 176.525 175.900 0.019 0.000 0.998 260 Y CA -0.854 57.208 58.100 -0.063 0.000 1.059 260 Y CB 1.776 40.282 38.460 0.076 0.000 1.234 260 Y HN 0.721 nan 8.280 nan 0.000 0.461 261 H N -1.460 117.593 119.070 -0.029 0.000 2.615 261 H HA 0.630 5.188 4.556 0.002 0.000 0.346 261 H C 0.422 175.402 175.328 -0.579 0.000 1.200 261 H CA -0.909 55.009 56.048 -0.216 0.000 1.264 261 H CB 1.996 31.639 29.762 -0.198 0.000 1.699 261 H HN 0.818 nan 8.280 nan 0.000 0.567 262 G N 0.099 108.300 108.800 -0.998 0.000 2.838 262 G HA2 0.129 4.091 3.960 0.002 0.000 0.210 262 G HA3 0.129 4.091 3.960 0.002 0.000 0.210 262 G C 0.374 174.809 174.900 -0.776 0.000 1.153 262 G CA -0.234 44.050 45.100 -1.360 0.000 0.778 262 G HN 0.545 nan 8.290 nan 0.000 0.539 263 R N -0.698 119.355 120.500 -0.746 0.000 2.680 263 R HA 0.319 4.660 4.340 0.002 0.000 0.269 263 R C -3.126 172.644 176.300 -0.883 0.000 1.026 263 R CA -1.836 53.947 56.100 -0.530 0.000 0.889 263 R CB 1.925 32.075 30.300 -0.250 0.000 1.241 263 R HN -0.147 nan 8.270 nan 0.000 0.463 264 P HA -0.066 nan 4.420 nan 0.000 0.265 264 P C -0.526 176.610 177.300 -0.273 0.000 1.187 264 P CA 0.434 63.318 63.100 -0.360 0.000 0.766 264 P CB 0.334 31.956 31.700 -0.130 0.000 0.820 265 N N -0.703 117.927 118.700 -0.117 0.000 2.741 265 N HA -0.172 4.569 4.740 0.002 0.000 0.251 265 N C -0.345 175.125 175.510 -0.066 0.000 1.112 265 N CA 1.305 54.327 53.050 -0.047 0.000 0.750 265 N CB -0.774 37.692 38.487 -0.034 0.000 1.119 265 N HN 0.491 nan 8.380 nan 0.000 0.561 266 K N 0.545 120.859 120.400 -0.144 0.000 2.208 266 K HA 0.470 4.791 4.320 0.002 0.000 0.247 266 K C -2.216 174.424 176.600 0.066 0.000 0.953 266 K CA -1.483 54.758 56.287 -0.077 0.000 0.837 266 K CB 1.864 34.257 32.500 -0.179 0.000 1.131 266 K HN -0.085 nan 8.250 nan 0.000 0.431 267 P HA -0.004 nan 4.420 nan 0.000 0.271 267 P C 0.206 177.623 177.300 0.194 0.000 1.218 267 P CA -0.407 62.742 63.100 0.083 0.000 0.780 267 P CB 0.487 32.178 31.700 -0.015 0.000 0.901 268 V N -0.755 119.209 119.914 0.085 0.000 3.139 268 V HA 0.332 4.453 4.120 0.002 0.000 0.307 268 V C 0.084 176.393 176.094 0.358 0.000 1.095 268 V CA 0.078 62.415 62.300 0.061 0.000 1.160 268 V CB 0.403 32.000 31.823 -0.375 0.000 1.003 268 V HN 0.614 nan 8.190 nan 0.000 0.489 269 D N 1.583 122.238 120.400 0.425 0.000 2.970 269 D HA 0.308 4.949 4.640 0.002 0.000 0.230 269 D C 0.807 177.422 176.300 0.525 0.000 1.276 269 D CA -0.035 54.292 54.000 0.545 0.000 0.910 269 D CB 2.265 43.440 40.800 0.626 0.000 1.590 269 D HN 0.659 nan 8.370 nan 0.000 0.551 270 T N 1.900 116.789 114.554 0.558 0.000 2.649 270 T HA -0.233 4.118 4.350 0.002 0.000 0.268 270 T C 2.032 176.858 174.700 0.211 0.000 1.036 270 T CA 2.350 64.713 62.100 0.438 0.000 1.157 270 T CB -0.617 68.440 68.868 0.315 0.000 0.861 270 T HN 0.787 nan 8.240 nan 0.000 0.445 271 C N 0.314 119.702 119.300 0.146 0.000 2.409 271 C HA -0.065 4.396 4.460 0.002 0.000 0.284 271 C C 2.202 176.923 174.990 -0.449 0.000 1.354 271 C CA -0.148 58.706 59.018 -0.273 0.000 1.787 271 C CB -2.126 25.329 27.740 -0.476 0.000 1.900 271 C HN 0.507 nan 8.230 nan 0.000 0.520 272 Y N 1.840 122.225 120.300 0.141 0.000 2.571 272 Y HA 0.014 4.566 4.550 0.002 0.000 0.294 272 Y C 2.825 178.680 175.900 -0.076 0.000 1.141 272 Y CA 1.323 59.513 58.100 0.150 0.000 1.308 272 Y CB -0.579 38.020 38.460 0.232 0.000 1.002 272 Y HN 0.338 nan 8.280 nan 0.000 0.551 273 S N -0.443 115.264 115.700 0.012 0.000 2.442 273 S HA -0.159 4.313 4.470 0.002 0.000 0.236 273 S C 1.658 176.050 174.600 -0.347 0.000 1.007 273 S CA 1.141 59.249 58.200 -0.153 0.000 0.965 273 S CB -0.355 62.858 63.200 0.023 0.000 0.773 273 S HN 0.551 nan 8.310 nan 0.000 0.504 274 F N 0.125 119.790 119.950 -0.476 0.000 2.315 274 F HA 0.196 4.724 4.527 0.002 0.000 0.284 274 F C 1.601 177.059 175.800 -0.568 0.000 1.049 274 F CA 0.116 57.764 58.000 -0.587 0.000 1.323 274 F CB -0.694 37.911 39.000 -0.658 0.000 1.113 274 F HN 0.162 nan 8.300 nan 0.000 0.544 275 W N 0.511 121.407 121.300 -0.674 0.000 2.301 275 W HA -0.256 4.405 4.660 0.002 0.000 0.325 275 W C 2.354 178.646 176.519 -0.378 0.000 1.250 275 W CA 1.667 58.613 57.345 -0.665 0.000 1.261 275 W CB -0.989 28.263 29.460 -0.347 0.000 1.157 275 W HN -0.155 nan 8.180 nan 0.000 0.473 276 V N 0.272 120.197 119.914 0.017 0.000 2.346 276 V HA -0.097 4.024 4.120 0.002 0.000 0.244 276 V C 2.390 178.323 176.094 -0.267 0.000 1.037 276 V CA 1.924 64.212 62.300 -0.021 0.000 1.029 276 V CB -1.593 30.261 31.823 0.050 0.000 0.663 276 V HN 0.389 nan 8.190 nan 0.000 0.454 277 G N 0.140 108.586 108.800 -0.591 0.000 2.476 277 G HA2 -0.272 3.690 3.960 0.002 0.000 0.218 277 G HA3 -0.272 3.690 3.960 0.002 0.000 0.218 277 G C 1.748 176.219 174.900 -0.714 0.000 1.164 277 G CA 1.215 45.882 45.100 -0.722 0.000 0.768 277 G HN 0.604 nan 8.290 nan 0.000 0.560 278 A N 0.030 122.404 122.820 -0.744 0.000 1.972 278 A HA 0.024 4.346 4.320 0.002 0.000 0.219 278 A C 2.529 179.995 177.584 -0.195 0.000 1.169 278 A CA 2.377 54.061 52.037 -0.589 0.000 0.635 278 A CB -0.751 17.608 19.000 -1.068 0.000 0.810 278 A HN 0.316 nan 8.150 nan 0.000 0.446 279 T N 0.425 114.938 114.554 -0.068 0.000 2.777 279 T HA -0.051 4.301 4.350 0.002 0.000 0.266 279 T C 1.805 176.523 174.700 0.031 0.000 1.040 279 T CA 1.356 63.483 62.100 0.044 0.000 1.141 279 T CB -0.356 68.584 68.868 0.120 0.000 0.868 279 T HN 0.360 nan 8.240 nan 0.000 0.444 280 L N 0.690 121.935 121.223 0.036 0.000 2.083 280 L HA -0.113 4.228 4.340 0.002 0.000 0.209 280 L C 2.641 179.589 176.870 0.130 0.000 1.083 280 L CA 1.143 56.067 54.840 0.140 0.000 0.752 280 L CB -0.401 41.833 42.059 0.292 0.000 0.899 280 L HN 0.155 nan 8.230 nan 0.000 0.433 281 K N 0.842 121.249 120.400 0.012 0.000 2.057 281 K HA -0.140 4.182 4.320 0.002 0.000 0.207 281 K C 1.929 178.537 176.600 0.013 0.000 1.049 281 K CA 1.574 57.867 56.287 0.010 0.000 0.931 281 K CB -0.442 31.959 32.500 -0.164 0.000 0.714 281 K HN 0.177 nan 8.250 nan 0.000 0.440 282 L N 0.251 121.470 121.223 -0.007 0.000 2.131 282 L HA -0.088 4.253 4.340 0.002 0.000 0.210 282 L C 1.771 178.661 176.870 0.033 0.000 1.092 282 L CA 0.846 55.689 54.840 0.005 0.000 0.759 282 L CB -0.247 41.810 42.059 -0.003 0.000 0.903 282 L HN 0.158 nan 8.230 nan 0.000 0.435 283 L N -0.496 120.759 121.223 0.054 0.000 2.612 283 L HA 0.032 4.373 4.340 0.002 0.000 0.230 283 L C 0.594 177.518 176.870 0.090 0.000 1.140 283 L CA 0.053 54.936 54.840 0.072 0.000 0.896 283 L CB -0.235 41.872 42.059 0.079 0.000 1.065 283 L HN 0.193 nan 8.230 nan 0.000 0.447 284 K N 0.571 121.020 120.400 0.082 0.000 3.069 284 K HA -0.206 4.116 4.320 0.002 0.000 0.267 284 K C 0.650 177.305 176.600 0.093 0.000 1.082 284 K CA 1.054 57.387 56.287 0.078 0.000 0.782 284 K CB -1.571 30.970 32.500 0.068 0.000 1.230 284 K HN 0.620 nan 8.250 nan 0.000 0.488 285 I N -4.693 115.961 120.570 0.140 0.000 4.160 285 I HA 0.171 4.343 4.170 0.002 0.000 0.325 285 I C 1.244 177.458 176.117 0.162 0.000 1.455 285 I CA -0.658 60.753 61.300 0.185 0.000 1.142 285 I CB 0.094 38.290 38.000 0.327 0.000 1.262 285 I HN -0.013 nan 8.210 nan 0.000 0.483 286 F N 3.465 123.433 119.950 0.031 0.000 2.269 286 F HA -0.181 4.348 4.527 0.002 0.000 0.301 286 F C 2.537 178.424 175.800 0.144 0.000 1.082 286 F CA 2.339 60.392 58.000 0.088 0.000 1.360 286 F CB -0.097 38.928 39.000 0.042 0.000 1.041 286 F HN 0.375 nan 8.300 nan 0.000 0.512 287 Q N -1.313 118.415 119.800 -0.120 0.000 2.297 287 Q HA -0.251 4.090 4.340 0.002 0.000 0.208 287 Q C 1.154 176.875 176.000 -0.466 0.000 0.981 287 Q CA 1.933 57.527 55.803 -0.349 0.000 0.876 287 Q CB -1.090 27.341 28.738 -0.513 0.000 0.921 287 Q HN 0.613 nan 8.270 nan 0.000 0.446 288 Y N 2.172 122.422 120.300 -0.083 0.000 2.461 288 Y HA 0.123 4.674 4.550 0.002 0.000 0.277 288 Y C 1.118 176.961 175.900 -0.095 0.000 1.182 288 Y CA -0.099 57.946 58.100 -0.092 0.000 1.276 288 Y CB 0.468 38.905 38.460 -0.038 0.000 1.087 288 Y HN 0.166 nan 8.280 nan 0.000 0.519 289 T N -1.903 112.638 114.554 -0.022 0.000 2.824 289 T HA 0.083 4.434 4.350 0.002 0.000 0.277 289 T C 0.039 174.746 174.700 0.011 0.000 0.975 289 T CA -0.991 61.107 62.100 -0.003 0.000 0.966 289 T CB 1.243 70.084 68.868 -0.045 0.000 1.054 289 T HN 0.097 nan 8.240 nan 0.000 0.533 290 N N 0.574 119.299 118.700 0.042 0.000 2.437 290 N HA 0.155 4.896 4.740 0.002 0.000 0.243 290 N C 0.346 175.984 175.510 0.214 0.000 1.041 290 N CA -0.559 52.528 53.050 0.062 0.000 0.940 290 N CB -0.134 38.354 38.487 0.001 0.000 1.133 290 N HN 0.717 nan 8.380 nan 0.000 0.506 291 F N 1.507 121.401 119.950 -0.094 0.000 2.113 291 F HA -0.150 4.378 4.527 0.002 0.000 0.297 291 F C 2.343 178.151 175.800 0.012 0.000 1.103 291 F CA 0.675 58.648 58.000 -0.046 0.000 1.248 291 F CB 0.183 39.151 39.000 -0.053 0.000 0.999 291 F HN 0.569 nan 8.300 nan 0.000 0.475 292 E N 1.327 121.654 120.200 0.211 0.000 2.049 292 E HA -0.272 4.080 4.350 0.002 0.000 0.198 292 E C 1.986 178.649 176.600 0.105 0.000 1.007 292 E CA 1.613 58.090 56.400 0.128 0.000 0.809 292 E CB -0.124 29.627 29.700 0.084 0.000 0.749 292 E HN 0.372 nan 8.360 nan 0.000 0.450 293 K N 0.205 120.655 120.400 0.084 0.000 2.097 293 K HA -0.162 4.160 4.320 0.002 0.000 0.206 293 K C 2.137 178.804 176.600 0.111 0.000 1.049 293 K CA 1.284 57.614 56.287 0.070 0.000 0.933 293 K CB -0.207 32.302 32.500 0.015 0.000 0.717 293 K HN 0.103 nan 8.250 nan 0.000 0.442 294 N N 1.634 120.407 118.700 0.122 0.000 2.080 294 N HA -0.179 4.562 4.740 0.002 0.000 0.189 294 N C 1.728 177.350 175.510 0.188 0.000 1.036 294 N CA 1.405 54.569 53.050 0.191 0.000 0.846 294 N CB -0.067 38.576 38.487 0.260 0.000 1.015 294 N HN 0.058 nan 8.380 nan 0.000 0.423 295 R N 0.088 120.661 120.500 0.121 0.000 2.091 295 R HA -0.082 4.260 4.340 0.002 0.000 0.238 295 R C 1.501 177.864 176.300 0.105 0.000 1.136 295 R CA 1.684 57.833 56.100 0.082 0.000 0.959 295 R CB -0.253 30.085 30.300 0.064 0.000 0.856 295 R HN 0.270 nan 8.270 nan 0.000 0.437 296 N N -0.131 118.638 118.700 0.116 0.000 2.104 296 N HA -0.221 4.520 4.740 0.002 0.000 0.190 296 N C 1.452 177.027 175.510 0.107 0.000 1.024 296 N CA 1.427 54.540 53.050 0.105 0.000 0.853 296 N CB -0.641 37.904 38.487 0.098 0.000 1.008 296 N HN 0.322 nan 8.380 nan 0.000 0.424 297 Y N 1.628 121.976 120.300 0.081 0.000 2.114 297 Y HA -0.078 4.474 4.550 0.002 0.000 0.284 297 Y C 2.185 178.166 175.900 0.134 0.000 1.143 297 Y CA 1.319 59.479 58.100 0.099 0.000 1.135 297 Y CB -0.482 38.034 38.460 0.092 0.000 0.980 297 Y HN -0.021 nan 8.280 nan 0.000 0.499 298 I N -0.070 120.527 120.570 0.045 0.000 2.118 298 I HA -0.389 3.783 4.170 0.002 0.000 0.241 298 I C 2.361 178.527 176.117 0.081 0.000 1.070 298 I CA 1.786 63.083 61.300 -0.006 0.000 1.327 298 I CB -0.638 37.346 38.000 -0.026 0.000 1.034 298 I HN 0.273 nan 8.210 nan 0.000 0.405 299 L N 0.553 121.858 121.223 0.137 0.000 2.191 299 L HA -0.175 4.166 4.340 0.002 0.000 0.212 299 L C 2.706 179.625 176.870 0.081 0.000 1.103 299 L CA 1.486 56.461 54.840 0.224 0.000 0.769 299 L CB -0.679 41.487 42.059 0.179 0.000 0.908 299 L HN 0.399 nan 8.230 nan 0.000 0.438 300 S N -1.406 114.268 115.700 -0.043 0.000 2.507 300 S HA -0.129 4.342 4.470 0.002 0.000 0.235 300 S C 1.718 176.258 174.600 -0.101 0.000 0.988 300 S CA 1.173 59.321 58.200 -0.086 0.000 0.944 300 S CB -0.637 62.486 63.200 -0.127 0.000 0.762 300 S HN 0.572 nan 8.310 nan 0.000 0.526 301 T N -1.780 112.720 114.554 -0.090 0.000 3.105 301 T HA 0.243 4.594 4.350 0.002 0.000 0.253 301 T C 0.344 175.056 174.700 0.021 0.000 1.047 301 T CA -0.513 61.578 62.100 -0.015 0.000 0.944 301 T CB -0.249 68.620 68.868 0.000 0.000 1.016 301 T HN 0.505 nan 8.240 nan 0.000 0.544 302 Q N 1.669 121.435 119.800 -0.057 0.000 2.304 302 Q HA 0.102 4.444 4.340 0.002 0.000 0.260 302 Q C -0.842 174.976 176.000 -0.303 0.000 0.965 302 Q CA -0.359 55.174 55.803 -0.450 0.000 0.898 302 Q CB 0.545 29.047 28.738 -0.394 0.000 1.196 302 Q HN 0.241 nan 8.270 nan 0.000 0.402 303 D N 3.929 124.112 120.400 -0.361 0.000 2.411 303 D HA 0.083 4.725 4.640 0.002 0.000 0.225 303 D C 0.324 176.469 176.300 -0.259 0.000 1.156 303 D CA -0.035 53.828 54.000 -0.229 0.000 0.874 303 D CB 0.603 41.289 40.800 -0.190 0.000 1.034 303 D HN 0.622 nan 8.370 nan 0.000 0.502 304 R N 2.572 122.953 120.500 -0.198 0.000 2.285 304 R HA -0.050 4.292 4.340 0.002 0.000 0.213 304 R C 1.567 177.762 176.300 -0.175 0.000 1.068 304 R CA 0.195 56.175 56.100 -0.200 0.000 1.004 304 R CB 0.426 30.644 30.300 -0.137 0.000 0.873 304 R HN 0.436 nan 8.270 nan 0.000 0.467 305 L N 0.463 121.603 121.223 -0.138 0.000 2.185 305 L HA 0.008 4.349 4.340 0.002 0.000 0.198 305 L C 2.027 178.835 176.870 -0.105 0.000 1.079 305 L CA 1.421 56.198 54.840 -0.106 0.000 0.780 305 L CB -0.354 41.664 42.059 -0.070 0.000 0.955 305 L HN 0.091 nan 8.230 nan 0.000 0.462 306 V N -1.784 118.079 119.914 -0.085 0.000 3.590 306 V HA 0.486 4.607 4.120 0.002 0.000 0.265 306 V C 0.899 176.998 176.094 0.009 0.000 1.239 306 V CA 0.513 62.802 62.300 -0.019 0.000 1.117 306 V CB -0.412 31.439 31.823 0.047 0.000 0.818 306 V HN 0.612 nan 8.190 nan 0.000 0.451 307 G N -0.737 107.946 108.800 -0.195 0.000 2.710 307 G HA2 0.399 4.360 3.960 0.002 0.000 0.668 307 G HA3 0.399 4.360 3.960 0.002 0.000 0.668 307 G C 0.505 174.988 174.900 -0.694 0.000 1.320 307 G CA -0.307 44.562 45.100 -0.386 0.000 0.860 307 G HN 2.451 nan 8.290 nan 0.000 0.538 308 G N -2.009 106.333 108.800 -0.764 0.000 2.828 308 G HA2 0.366 4.327 3.960 0.002 0.000 0.463 308 G HA3 0.366 4.327 3.960 0.002 0.000 0.463 308 G C -0.406 174.002 174.900 -0.821 0.000 1.394 308 G CA 0.340 44.652 45.100 -1.314 0.000 0.862 308 G HN 1.840 nan 8.290 nan 0.000 0.540 309 F N -0.103 119.596 119.950 -0.418 0.000 2.603 309 F HA 0.830 5.359 4.527 0.002 0.000 0.317 309 F C 0.806 176.552 175.800 -0.091 0.000 1.066 309 F CA 0.026 57.917 58.000 -0.181 0.000 0.941 309 F CB 2.083 41.007 39.000 -0.127 0.000 1.291 309 F HN 1.013 nan 8.300 nan 0.000 0.472 310 A N 1.073 123.959 122.820 0.110 0.000 2.309 310 A HA 0.547 4.868 4.320 0.002 0.000 0.317 310 A C 0.810 178.278 177.584 -0.194 0.000 1.134 310 A CA -0.571 51.434 52.037 -0.054 0.000 0.866 310 A CB 1.311 20.294 19.000 -0.028 0.000 1.329 310 A HN 0.895 nan 8.150 nan 0.000 0.477 311 K N -0.980 119.038 120.400 -0.636 0.000 2.103 311 K HA -0.013 4.308 4.320 0.002 0.000 0.204 311 K C -0.422 176.110 176.600 -0.113 0.000 1.052 311 K CA 0.690 56.608 56.287 -0.615 0.000 0.945 311 K CB 0.015 31.877 32.500 -1.063 0.000 0.722 311 K HN 0.572 nan 8.250 nan 0.000 0.443 312 W N 1.543 122.873 121.300 0.050 0.000 2.902 312 W HA 0.413 5.074 4.660 0.002 0.000 0.346 312 W C -2.619 173.916 176.519 0.027 0.000 1.139 312 W CA -3.132 54.288 57.345 0.125 0.000 1.139 312 W CB 0.265 29.793 29.460 0.113 0.000 1.439 312 W HN -0.194 nan 8.180 nan 0.000 0.558 313 P HA -0.003 nan 4.420 nan 0.000 0.272 313 P C -0.213 177.157 177.300 0.117 0.000 1.223 313 P CA 0.465 63.626 63.100 0.101 0.000 0.784 313 P CB 0.744 32.475 31.700 0.051 0.000 0.923 314 D N -2.008 118.433 120.400 0.069 0.000 2.772 314 D HA -0.143 4.499 4.640 0.002 0.000 0.233 314 D C -0.055 176.292 176.300 0.077 0.000 1.143 314 D CA 1.256 55.294 54.000 0.065 0.000 0.700 314 D CB -1.752 39.078 40.800 0.051 0.000 1.076 314 D HN 0.376 nan 8.370 nan 0.000 0.430 315 S N -1.521 114.234 115.700 0.090 0.000 2.599 315 S HA 0.463 4.934 4.470 0.002 0.000 0.294 315 S C -0.507 174.158 174.600 0.109 0.000 1.094 315 S CA -0.677 57.559 58.200 0.060 0.000 0.931 315 S CB 1.237 64.505 63.200 0.114 0.000 1.093 315 S HN 0.224 nan 8.310 nan 0.000 0.488 316 H N 2.651 121.745 119.070 0.040 0.000 2.764 316 H HA 0.291 4.848 4.556 0.002 0.000 0.341 316 H C -1.874 173.479 175.328 0.041 0.000 1.072 316 H CA -1.492 54.585 56.048 0.048 0.000 1.444 316 H CB 0.659 30.466 29.762 0.074 0.000 1.458 316 H HN 0.469 nan 8.280 nan 0.000 0.572 317 P HA 0.078 nan 4.420 nan 0.000 0.276 317 P C -1.034 176.435 177.300 0.282 0.000 1.252 317 P CA -0.393 62.775 63.100 0.115 0.000 0.802 317 P CB 1.498 33.149 31.700 -0.082 0.000 1.035 318 D N -1.844 118.754 120.400 0.330 0.000 2.615 318 D HA 0.454 5.095 4.640 0.002 0.000 0.267 318 D C 0.847 177.449 176.300 0.503 0.000 1.236 318 D CA -0.936 53.349 54.000 0.476 0.000 0.839 318 D CB 0.346 41.380 40.800 0.391 0.000 1.380 318 D HN 0.177 nan 8.370 nan 0.000 0.433 319 A N 0.335 123.465 122.820 0.517 0.000 1.892 319 A HA -0.158 4.164 4.320 0.002 0.000 0.218 319 A C 2.029 179.692 177.584 0.132 0.000 1.188 319 A CA 1.787 54.129 52.037 0.507 0.000 0.631 319 A CB -1.068 18.229 19.000 0.494 0.000 0.822 319 A HN 0.652 nan 8.150 nan 0.000 0.447 320 L N -1.437 119.697 121.223 -0.148 0.000 1.989 320 L HA -0.242 4.100 4.340 0.002 0.000 0.211 320 L C 2.514 179.133 176.870 -0.419 0.000 1.071 320 L CA 2.404 56.770 54.840 -0.790 0.000 0.749 320 L CB -0.405 41.406 42.059 -0.413 0.000 0.890 320 L HN 0.571 nan 8.230 nan 0.000 0.431 321 H N -0.699 118.357 119.070 -0.024 0.000 2.462 321 H HA 0.014 4.571 4.556 0.002 0.000 0.292 321 H C 2.170 177.499 175.328 0.002 0.000 1.049 321 H CA 1.069 57.127 56.048 0.016 0.000 1.334 321 H CB -0.160 29.631 29.762 0.049 0.000 1.404 321 H HN 0.526 nan 8.280 nan 0.000 0.544 322 A N 0.426 123.338 122.820 0.153 0.000 1.877 322 A HA -0.243 4.078 4.320 0.002 0.000 0.216 322 A C 2.101 179.784 177.584 0.166 0.000 1.186 322 A CA 1.682 53.818 52.037 0.165 0.000 0.620 322 A CB -0.985 18.007 19.000 -0.013 0.000 0.822 322 A HN 0.532 nan 8.150 nan 0.000 0.443 323 Y N -0.618 119.664 120.300 -0.029 0.000 2.114 323 Y HA -0.177 4.375 4.550 0.002 0.000 0.284 323 Y C 1.972 177.538 175.900 -0.557 0.000 1.143 323 Y CA 1.780 59.690 58.100 -0.317 0.000 1.135 323 Y CB -0.592 37.471 38.460 -0.662 0.000 0.980 323 Y HN 0.281 nan 8.280 nan 0.000 0.499 324 F N -0.282 119.323 119.950 -0.575 0.000 2.293 324 F HA -0.036 4.492 4.527 0.002 0.000 0.300 324 F C 2.537 177.974 175.800 -0.606 0.000 1.086 324 F CA 0.826 58.372 58.000 -0.756 0.000 1.375 324 F CB -0.643 37.928 39.000 -0.714 0.000 1.045 324 F HN 0.161 nan 8.300 nan 0.000 0.516 325 G N 0.306 108.863 108.800 -0.405 0.000 2.402 325 G HA2 -0.187 3.774 3.960 0.002 0.000 0.216 325 G HA3 -0.187 3.774 3.960 0.002 0.000 0.216 325 G C 1.686 176.123 174.900 -0.771 0.000 1.162 325 G CA 0.643 45.347 45.100 -0.660 0.000 0.777 325 G HN 0.322 nan 8.290 nan 0.000 0.539 326 I N 0.297 120.460 120.570 -0.680 0.000 2.252 326 I HA -0.175 3.997 4.170 0.002 0.000 0.245 326 I C 2.680 178.504 176.117 -0.489 0.000 1.102 326 I CA 0.566 61.565 61.300 -0.502 0.000 1.385 326 I CB -0.159 37.716 38.000 -0.208 0.000 1.064 326 I HN 0.181 nan 8.210 nan 0.000 0.414 327 C N 0.749 119.682 119.300 -0.612 0.000 2.435 327 C HA -0.070 4.391 4.460 0.002 0.000 0.279 327 C C 2.908 177.729 174.990 -0.282 0.000 1.321 327 C CA 0.928 59.634 59.018 -0.520 0.000 1.752 327 C CB -1.684 25.535 27.740 -0.869 0.000 1.959 327 C HN 0.669 nan 8.230 nan 0.000 0.500 328 G N 0.319 108.944 108.800 -0.291 0.000 2.421 328 G HA2 -0.146 3.815 3.960 0.002 0.000 0.216 328 G HA3 -0.146 3.815 3.960 0.002 0.000 0.216 328 G C 1.399 176.141 174.900 -0.262 0.000 1.171 328 G CA 0.590 45.546 45.100 -0.239 0.000 0.775 328 G HN 0.344 nan 8.290 nan 0.000 0.543 329 L N 1.228 122.260 121.223 -0.318 0.000 2.083 329 L HA -0.004 4.338 4.340 0.002 0.000 0.209 329 L C 3.068 179.776 176.870 -0.270 0.000 1.083 329 L CA 1.845 56.499 54.840 -0.309 0.000 0.752 329 L CB -1.009 40.785 42.059 -0.442 0.000 0.899 329 L HN 0.334 nan 8.230 nan 0.000 0.433 330 S N -0.831 114.706 115.700 -0.271 0.000 2.370 330 S HA -0.176 4.295 4.470 0.002 0.000 0.226 330 S C 2.011 176.517 174.600 -0.156 0.000 1.033 330 S CA 0.898 58.979 58.200 -0.198 0.000 1.011 330 S CB -0.190 62.897 63.200 -0.188 0.000 0.852 330 S HN 0.254 nan 8.310 nan 0.000 0.457 331 L N 1.085 122.180 121.223 -0.213 0.000 2.187 331 L HA 0.135 4.476 4.340 0.002 0.000 0.213 331 L C 2.033 178.853 176.870 -0.084 0.000 1.100 331 L CA 1.667 56.346 54.840 -0.269 0.000 0.765 331 L CB -0.804 40.860 42.059 -0.658 0.000 0.904 331 L HN 0.485 nan 8.230 nan 0.000 0.437 332 M N -1.553 117.961 119.600 -0.145 0.000 2.419 332 M HA 0.101 4.582 4.480 0.002 0.000 0.252 332 M C -0.186 176.120 176.300 0.009 0.000 1.143 332 M CA 0.029 55.184 55.300 -0.242 0.000 0.985 332 M CB 0.226 32.455 32.600 -0.618 0.000 1.489 332 M HN 0.062 nan 8.290 nan 0.000 0.484 333 E N 1.613 121.806 120.200 -0.010 0.000 2.257 333 E HA -0.184 4.167 4.350 0.002 0.000 0.217 333 E C -0.120 176.470 176.600 -0.016 0.000 1.248 333 E CA 0.195 56.599 56.400 0.007 0.000 0.691 333 E CB -0.988 28.754 29.700 0.070 0.000 1.185 333 E HN 0.412 nan 8.360 nan 0.000 0.377 334 E N 0.794 120.940 120.200 -0.089 0.000 2.384 334 E HA 0.138 4.490 4.350 0.002 0.000 0.266 334 E C -0.361 176.193 176.600 -0.076 0.000 1.012 334 E CA 0.019 56.347 56.400 -0.118 0.000 0.901 334 E CB 1.001 30.530 29.700 -0.285 0.000 0.967 334 E HN 0.152 nan 8.360 nan 0.000 0.435 335 S N 3.113 118.801 115.700 -0.020 0.000 2.516 335 S HA 0.428 4.899 4.470 0.002 0.000 0.282 335 S C 0.924 175.555 174.600 0.052 0.000 1.286 335 S CA 0.731 58.946 58.200 0.024 0.000 1.066 335 S CB -0.194 63.037 63.200 0.051 0.000 0.884 335 S HN 0.976 nan 8.310 nan 0.000 0.491 336 G N 3.928 112.766 108.800 0.063 0.000 2.195 336 G HA2 -0.179 3.783 3.960 0.002 0.000 0.224 336 G HA3 -0.179 3.783 3.960 0.002 0.000 0.224 336 G C -0.024 174.943 174.900 0.111 0.000 0.990 336 G CA 0.076 45.248 45.100 0.120 0.000 0.639 336 G HN 0.723 nan 8.290 nan 0.000 0.514 337 I N 1.191 121.768 120.570 0.012 0.000 2.465 337 I HA 0.382 4.553 4.170 0.002 0.000 0.291 337 I C 0.951 177.051 176.117 -0.028 0.000 1.014 337 I CA -1.202 60.083 61.300 -0.027 0.000 1.093 337 I CB 1.751 39.644 38.000 -0.177 0.000 1.267 337 I HN 0.101 nan 8.210 nan 0.000 0.431 338 C N 4.104 123.397 119.300 -0.012 0.000 2.700 338 C HA 0.088 4.550 4.460 0.002 0.000 0.397 338 C C 0.907 175.883 174.990 -0.023 0.000 1.301 338 C CA -0.458 58.556 59.018 -0.007 0.000 2.219 338 C CB -0.046 27.697 27.740 0.004 0.000 2.699 338 C HN 0.706 nan 8.230 nan 0.000 0.669 339 K N 1.097 121.495 120.400 -0.003 0.000 2.350 339 K HA 0.392 4.713 4.320 0.002 0.000 0.279 339 K C -0.456 176.153 176.600 0.015 0.000 1.027 339 K CA -0.184 56.103 56.287 -0.000 0.000 0.969 339 K CB 0.578 33.089 32.500 0.018 0.000 0.954 339 K HN 0.561 nan 8.250 nan 0.000 0.474 340 V N 4.539 124.458 119.914 0.010 0.000 2.713 340 V HA 0.141 4.262 4.120 0.002 0.000 0.307 340 V C -0.587 175.585 176.094 0.129 0.000 1.052 340 V CA -0.646 61.690 62.300 0.060 0.000 0.967 340 V CB 1.429 33.264 31.823 0.020 0.000 1.019 340 V HN 0.861 nan 8.190 nan 0.000 0.459 341 H N 8.076 127.210 119.070 0.107 0.000 2.820 341 H HA 0.366 4.923 4.556 0.002 0.000 0.278 341 H C -1.848 173.610 175.328 0.216 0.000 1.142 341 H CA -1.902 54.225 56.048 0.132 0.000 1.346 341 H CB 1.755 31.594 29.762 0.128 0.000 1.438 341 H HN 0.526 nan 8.280 nan 0.000 0.473 342 P HA -0.192 nan 4.420 nan 0.000 0.216 342 P C 1.110 178.700 177.300 0.483 0.000 1.153 342 P CA 1.799 65.056 63.100 0.261 0.000 0.858 342 P CB 0.256 31.967 31.700 0.018 0.000 0.789 343 A N -0.899 122.147 122.820 0.377 0.000 1.930 343 A HA -0.041 4.280 4.320 0.002 0.000 0.215 343 A C 2.167 180.091 177.584 0.567 0.000 1.176 343 A CA 0.981 53.262 52.037 0.407 0.000 0.632 343 A CB -1.288 17.845 19.000 0.221 0.000 0.819 343 A HN 0.169 nan 8.150 nan 0.000 0.445 344 L N -0.902 120.678 121.223 0.594 0.000 2.446 344 L HA 0.188 4.529 4.340 0.002 0.000 0.219 344 L C 0.571 177.732 176.870 0.484 0.000 1.116 344 L CA 1.038 56.043 54.840 0.275 0.000 0.844 344 L CB -0.694 41.195 42.059 -0.283 0.000 0.970 344 L HN 0.561 nan 8.230 nan 0.000 0.457 345 N N -0.313 118.757 118.700 0.616 0.000 2.756 345 N HA -0.169 4.573 4.740 0.002 0.000 0.248 345 N C -0.826 174.960 175.510 0.461 0.000 1.062 345 N CA 0.949 54.336 53.050 0.562 0.000 0.696 345 N CB -1.204 37.713 38.487 0.717 0.000 0.946 345 N HN 0.262 nan 8.380 nan 0.000 0.548 346 V N -3.228 116.881 119.914 0.325 0.000 3.181 346 V HA 0.834 4.956 4.120 0.002 0.000 0.308 346 V C 0.606 176.794 176.094 0.157 0.000 1.214 346 V CA -0.482 61.950 62.300 0.220 0.000 1.053 346 V CB 1.464 33.383 31.823 0.161 0.000 1.069 346 V HN 0.463 nan 8.190 nan 0.000 0.441 347 S N 0.062 115.814 115.700 0.085 0.000 2.579 347 S HA 0.180 4.652 4.470 0.002 0.000 0.275 347 S C 1.344 176.001 174.600 0.095 0.000 1.345 347 S CA 0.403 58.642 58.200 0.065 0.000 1.031 347 S CB 0.903 64.116 63.200 0.022 0.000 0.892 347 S HN 1.745 nan 8.310 nan 0.000 0.529 348 T N -0.340 114.276 114.554 0.102 0.000 2.833 348 T HA -0.182 4.169 4.350 0.002 0.000 0.269 348 T C 1.775 176.519 174.700 0.073 0.000 1.054 348 T CA 1.091 63.264 62.100 0.121 0.000 1.135 348 T CB -0.488 68.442 68.868 0.102 0.000 0.869 348 T HN 0.736 nan 8.240 nan 0.000 0.466 349 R N 1.195 121.722 120.500 0.046 0.000 2.096 349 R HA -0.147 4.195 4.340 0.002 0.000 0.240 349 R C 2.280 178.589 176.300 0.014 0.000 1.139 349 R CA 2.122 58.237 56.100 0.025 0.000 0.952 349 R CB -0.981 29.329 30.300 0.017 0.000 0.854 349 R HN 0.415 nan 8.270 nan 0.000 0.436 350 T N 0.395 114.958 114.554 0.016 0.000 2.821 350 T HA -0.121 4.230 4.350 0.002 0.000 0.267 350 T C 1.866 176.558 174.700 -0.013 0.000 1.046 350 T CA 1.532 63.632 62.100 -0.000 0.000 1.139 350 T CB -0.215 68.657 68.868 0.008 0.000 0.871 350 T HN 0.559 nan 8.240 nan 0.000 0.454 351 S N 1.631 117.337 115.700 0.011 0.000 2.399 351 S HA -0.118 4.353 4.470 0.002 0.000 0.231 351 S C 1.833 176.426 174.600 -0.011 0.000 1.022 351 S CA 1.110 59.301 58.200 -0.014 0.000 0.983 351 S CB -0.350 62.879 63.200 0.049 0.000 0.803 351 S HN 0.573 nan 8.310 nan 0.000 0.480 352 E N 0.644 120.847 120.200 0.006 0.000 2.122 352 E HA 0.053 4.404 4.350 0.002 0.000 0.190 352 E C 2.362 178.924 176.600 -0.064 0.000 0.977 352 E CA 0.261 56.653 56.400 -0.013 0.000 0.820 352 E CB -0.117 29.590 29.700 0.012 0.000 0.770 352 E HN 0.272 nan 8.360 nan 0.000 0.462 353 R N 1.217 121.680 120.500 -0.061 0.000 2.127 353 R HA -0.148 4.194 4.340 0.002 0.000 0.238 353 R C 2.194 178.399 176.300 -0.158 0.000 1.134 353 R CA 0.920 56.971 56.100 -0.082 0.000 0.975 353 R CB -0.445 29.824 30.300 -0.052 0.000 0.865 353 R HN 0.227 nan 8.270 nan 0.000 0.447 354 L N 0.858 121.962 121.223 -0.198 0.000 2.156 354 L HA -0.084 4.257 4.340 0.002 0.000 0.208 354 L C 2.700 179.213 176.870 -0.595 0.000 1.095 354 L CA 1.682 56.293 54.840 -0.382 0.000 0.770 354 L CB -0.600 41.265 42.059 -0.323 0.000 0.914 354 L HN -0.070 nan 8.230 nan 0.000 0.439 355 R N -0.324 119.968 120.500 -0.347 0.000 2.081 355 R HA -0.147 4.194 4.340 0.002 0.000 0.235 355 R C 1.963 178.121 176.300 -0.236 0.000 1.131 355 R CA 1.858 57.803 56.100 -0.257 0.000 0.960 355 R CB -1.205 29.043 30.300 -0.087 0.000 0.856 355 R HN 0.650 nan 8.270 nan 0.000 0.436 356 D N 0.419 120.696 120.400 -0.205 0.000 2.097 356 D HA -0.065 4.576 4.640 0.002 0.000 0.195 356 D C 2.105 178.245 176.300 -0.266 0.000 0.989 356 D CA 1.584 55.481 54.000 -0.171 0.000 0.827 356 D CB -0.421 40.310 40.800 -0.115 0.000 0.966 356 D HN 0.312 nan 8.370 nan 0.000 0.456 357 L N 0.240 121.233 121.223 -0.383 0.000 2.043 357 L HA -0.233 4.109 4.340 0.002 0.000 0.212 357 L C 2.426 178.669 176.870 -1.044 0.000 1.075 357 L CA 1.386 55.858 54.840 -0.614 0.000 0.752 357 L CB -0.425 41.277 42.059 -0.596 0.000 0.891 357 L HN 0.242 nan 8.230 nan 0.000 0.432 358 H N -2.027 116.506 119.070 -0.896 0.000 2.293 358 H HA -0.226 4.331 4.556 0.002 0.000 0.300 358 H C 2.424 177.522 175.328 -0.382 0.000 1.082 358 H CA 1.261 56.863 56.048 -0.744 0.000 1.308 358 H CB 0.026 29.537 29.762 -0.420 0.000 1.375 358 H HN 0.178 nan 8.280 nan 0.000 0.495 359 Q N 0.532 120.263 119.800 -0.114 0.000 2.181 359 Q HA -0.191 4.150 4.340 0.002 0.000 0.205 359 Q C 2.623 178.595 176.000 -0.047 0.000 0.980 359 Q CA 1.519 57.291 55.803 -0.052 0.000 0.862 359 Q CB -0.468 28.244 28.738 -0.043 0.000 0.905 359 Q HN 0.504 nan 8.270 nan 0.000 0.429 360 S N -0.774 114.852 115.700 -0.123 0.000 2.351 360 S HA -0.162 4.309 4.470 0.002 0.000 0.220 360 S C 1.542 176.208 174.600 0.109 0.000 1.035 360 S CA 1.705 59.879 58.200 -0.043 0.000 1.031 360 S CB -0.590 62.549 63.200 -0.102 0.000 0.928 360 S HN 0.851 nan 8.310 nan 0.000 0.433 361 W N 1.842 123.165 121.300 0.039 0.000 2.387 361 W HA 0.140 4.800 4.660 0.001 0.000 0.272 361 W C 1.696 178.221 176.519 0.009 0.000 1.224 361 W CA 0.747 58.105 57.345 0.021 0.000 1.210 361 W CB -1.377 28.092 29.460 0.016 0.000 1.125 361 W HN 0.453 nan 8.180 nan 0.000 0.572 362 K N 1.867 122.381 120.400 0.190 0.000 2.121 362 K HA 0.368 4.690 4.320 0.002 0.000 0.235 362 K C 0.341 176.992 176.600 0.084 0.000 1.200 362 K CA 0.794 57.147 56.287 0.111 0.000 1.115 362 K CB -1.270 31.268 32.500 0.065 0.000 1.474 362 K HN 0.248 nan 8.250 nan 0.000 0.295 363 T N 0.000 114.607 114.554 0.089 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.139 62.100 0.064 0.000 1.349 363 T CB 0.000 68.910 68.868 0.070 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658