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 1tno_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 0.086 0.000 1.165 18 L CA 0.000 54.875 54.840 0.059 0.000 0.813 18 L CB 0.000 42.087 42.059 0.046 0.000 0.961 19 D N -0.342 120.110 120.400 0.086 0.000 2.299 19 D HA 0.354 4.995 4.640 0.002 0.000 0.243 19 D C -0.893 175.522 176.300 0.192 0.000 0.982 19 D CA -0.349 53.726 54.000 0.125 0.000 0.924 19 D CB 1.939 42.786 40.800 0.078 0.000 1.238 19 D HN 0.196 nan 8.370 nan 0.000 0.484 20 F N 1.054 121.046 119.950 0.071 0.000 2.413 20 F HA 0.253 4.782 4.527 0.002 0.000 0.359 20 F C -0.327 175.519 175.800 0.076 0.000 1.122 20 F CA -1.183 56.891 58.000 0.123 0.000 1.160 20 F CB 0.488 39.572 39.000 0.139 0.000 1.146 20 F HN 0.130 nan 8.300 nan 0.000 0.514 21 L N 7.905 128.853 121.223 -0.459 0.000 2.533 21 L HA 0.194 4.535 4.340 0.002 0.000 0.239 21 L C 1.938 178.310 176.870 -0.829 0.000 1.376 21 L CA 0.449 54.938 54.840 -0.586 0.000 1.240 21 L CB -1.234 40.469 42.059 -0.594 0.000 1.487 21 L HN 0.701 nan 8.230 nan 0.000 0.419 22 R N 0.284 120.312 120.500 -0.786 0.000 2.133 22 R HA -0.232 4.109 4.340 0.002 0.000 0.245 22 R C 1.271 177.429 176.300 -0.236 0.000 1.137 22 R CA 2.233 58.047 56.100 -0.476 0.000 0.947 22 R CB 0.155 30.413 30.300 -0.070 0.000 0.865 22 R HN 0.459 nan 8.270 nan 0.000 0.437 23 D N -0.432 119.849 120.400 -0.199 0.000 2.149 23 D HA -0.182 4.459 4.640 0.002 0.000 0.198 23 D C 1.968 178.162 176.300 -0.175 0.000 0.990 23 D CA 1.098 55.019 54.000 -0.132 0.000 0.839 23 D CB -0.251 40.485 40.800 -0.106 0.000 0.948 23 D HN 0.320 nan 8.370 nan 0.000 0.460 24 R N -0.186 120.123 120.500 -0.318 0.000 2.115 24 R HA -0.114 4.227 4.340 0.002 0.000 0.230 24 R C 2.077 178.175 176.300 -0.337 0.000 1.111 24 R CA 0.963 56.854 56.100 -0.348 0.000 0.976 24 R CB 0.019 30.036 30.300 -0.473 0.000 0.870 24 R HN 0.289 nan 8.270 nan 0.000 0.445 25 H N -0.621 118.296 119.070 -0.256 0.000 2.462 25 H HA -0.039 4.518 4.556 0.002 0.000 0.292 25 H C 2.128 177.386 175.328 -0.117 0.000 1.049 25 H CA 1.268 57.145 56.048 -0.284 0.000 1.334 25 H CB 0.004 29.594 29.762 -0.287 0.000 1.404 25 H HN 0.058 nan 8.280 nan 0.000 0.544 26 V N 1.330 121.297 119.914 0.089 0.000 2.358 26 V HA -0.199 3.923 4.120 0.002 0.000 0.246 26 V C 2.618 178.781 176.094 0.115 0.000 1.047 26 V CA 1.417 63.817 62.300 0.167 0.000 1.035 26 V CB -0.216 31.666 31.823 0.097 0.000 0.658 26 V HN 0.303 nan 8.190 nan 0.000 0.452 27 R N -0.846 119.672 120.500 0.029 0.000 2.096 27 R HA -0.123 4.218 4.340 0.002 0.000 0.235 27 R C 2.187 178.490 176.300 0.006 0.000 1.127 27 R CA 1.595 57.697 56.100 0.003 0.000 0.968 27 R CB -0.856 29.422 30.300 -0.037 0.000 0.861 27 R HN 0.578 nan 8.270 nan 0.000 0.440 28 F N 0.628 120.490 119.950 -0.148 0.000 2.075 28 F HA -0.175 4.353 4.527 0.002 0.000 0.297 28 F C 1.995 177.729 175.800 -0.111 0.000 1.113 28 F CA 1.474 59.361 58.000 -0.189 0.000 1.218 28 F CB -0.481 38.332 39.000 -0.311 0.000 0.984 28 F HN -0.130 nan 8.300 nan 0.000 0.472 29 F N 0.463 120.504 119.950 0.152 0.000 2.134 29 F HA -0.259 4.270 4.527 0.003 0.000 0.299 29 F C 2.750 178.485 175.800 -0.107 0.000 1.097 29 F CA 1.359 59.372 58.000 0.022 0.000 1.264 29 F CB -0.759 38.298 39.000 0.095 0.000 1.001 29 F HN 0.086 nan 8.300 nan 0.000 0.479 30 Q N 0.913 120.779 119.800 0.110 0.000 2.096 30 Q HA -0.271 4.070 4.340 0.002 0.000 0.204 30 Q C 2.339 178.289 176.000 -0.084 0.000 0.982 30 Q CA 1.686 57.490 55.803 0.002 0.000 0.850 30 Q CB -0.199 28.539 28.738 -0.001 0.000 0.901 30 Q HN 0.311 nan 8.270 nan 0.000 0.422 31 R N -0.589 119.825 120.500 -0.144 0.000 2.081 31 R HA -0.145 4.196 4.340 0.002 0.000 0.235 31 R C 2.290 178.438 176.300 -0.254 0.000 1.131 31 R CA 1.687 57.659 56.100 -0.213 0.000 0.960 31 R CB -0.369 29.760 30.300 -0.285 0.000 0.856 31 R HN 0.425 nan 8.270 nan 0.000 0.436 32 C N 0.412 119.534 119.300 -0.297 0.000 2.425 32 C HA -0.056 4.405 4.460 0.002 0.000 0.277 32 C C 2.274 177.153 174.990 -0.184 0.000 1.280 32 C CA 0.208 59.071 59.018 -0.258 0.000 1.744 32 C CB -0.792 26.846 27.740 -0.171 0.000 1.989 32 C HN 0.459 nan 8.230 nan 0.000 0.491 33 L N 0.713 121.843 121.223 -0.154 0.000 2.465 33 L HA -0.027 4.314 4.340 0.002 0.000 0.224 33 L C 2.183 178.932 176.870 -0.201 0.000 1.145 33 L CA 1.481 56.213 54.840 -0.180 0.000 0.834 33 L CB -1.457 40.510 42.059 -0.154 0.000 0.944 33 L HN 0.577 nan 8.230 nan 0.000 0.451 34 Q N -1.231 118.466 119.800 -0.172 0.000 1.738 34 Q HA 0.162 4.503 4.340 0.002 0.000 0.471 34 Q C -0.155 175.756 176.000 -0.149 0.000 0.931 34 Q CA 0.326 56.036 55.803 -0.155 0.000 0.869 34 Q CB 0.221 28.882 28.738 -0.127 0.000 1.561 34 Q HN 0.088 nan 8.270 nan 0.000 0.400 35 V N 1.158 120.996 119.914 -0.127 0.000 2.735 35 V HA 0.410 4.531 4.120 0.002 0.000 0.310 35 V C -0.906 175.128 176.094 -0.100 0.000 1.061 35 V CA -0.590 61.650 62.300 -0.100 0.000 0.913 35 V CB 1.925 33.706 31.823 -0.070 0.000 1.005 35 V HN 0.269 nan 8.190 nan 0.000 0.428 36 L N 4.537 125.718 121.223 -0.069 0.000 2.342 36 L HA 0.640 4.981 4.340 0.002 0.000 0.271 36 L C -2.356 174.561 176.870 0.077 0.000 1.008 36 L CA -1.804 53.006 54.840 -0.049 0.000 0.818 36 L CB 1.862 43.860 42.059 -0.102 0.000 1.296 36 L HN 0.445 nan 8.230 nan 0.000 0.427 37 P HA 0.051 nan 4.420 nan 0.000 0.272 37 P C 0.311 177.720 177.300 0.181 0.000 1.230 37 P CA -0.438 62.765 63.100 0.172 0.000 0.788 37 P CB 0.663 32.484 31.700 0.201 0.000 0.949 38 E N 1.227 121.480 120.200 0.088 0.000 2.401 38 E HA -0.220 4.131 4.350 0.002 0.000 0.199 38 E C 1.411 178.022 176.600 0.018 0.000 1.023 38 E CA 0.478 56.914 56.400 0.059 0.000 0.859 38 E CB 0.046 29.765 29.700 0.032 0.000 0.780 38 E HN 0.342 nan 8.360 nan 0.000 0.523 39 R N -0.855 119.615 120.500 -0.050 0.000 2.339 39 R HA -0.101 4.241 4.340 0.002 0.000 0.199 39 R C 0.425 176.490 176.300 -0.391 0.000 1.018 39 R CA 0.865 56.831 56.100 -0.223 0.000 1.036 39 R CB -0.223 29.891 30.300 -0.310 0.000 0.899 39 R HN 0.212 nan 8.270 nan 0.000 0.473 40 Y N 0.931 121.249 120.300 0.030 0.000 2.607 40 Y HA 0.177 4.728 4.550 0.002 0.000 0.266 40 Y C 1.855 177.774 175.900 0.031 0.000 1.178 40 Y CA -0.090 58.033 58.100 0.037 0.000 1.226 40 Y CB 0.827 39.308 38.460 0.035 0.000 1.144 40 Y HN 0.219 nan 8.280 nan 0.000 0.528 41 S N -0.702 115.053 115.700 0.093 0.000 2.440 41 S HA -0.239 4.233 4.470 0.002 0.000 0.240 41 S C 1.983 176.612 174.600 0.049 0.000 1.014 41 S CA 1.446 59.686 58.200 0.067 0.000 0.980 41 S CB -0.689 62.533 63.200 0.037 0.000 0.775 41 S HN 0.475 nan 8.310 nan 0.000 0.499 42 S N 0.949 116.679 115.700 0.050 0.000 2.607 42 S HA 0.239 4.710 4.470 0.002 0.000 0.224 42 S C 1.352 175.982 174.600 0.049 0.000 0.969 42 S CA 0.141 58.364 58.200 0.038 0.000 0.927 42 S CB -0.622 62.603 63.200 0.042 0.000 0.772 42 S HN 0.585 nan 8.310 nan 0.000 0.533 43 L N 0.345 121.616 121.223 0.081 0.000 2.616 43 L HA 0.291 4.633 4.340 0.002 0.000 0.229 43 L C 2.432 179.323 176.870 0.035 0.000 1.110 43 L CA 0.235 55.124 54.840 0.081 0.000 0.884 43 L CB -0.245 41.898 42.059 0.141 0.000 1.115 43 L HN 0.242 nan 8.230 nan 0.000 0.481 44 E N 1.400 121.609 120.200 0.015 0.000 2.068 44 E HA -0.295 4.057 4.350 0.002 0.000 0.207 44 E C 2.039 178.593 176.600 -0.076 0.000 1.032 44 E CA 2.599 58.995 56.400 -0.006 0.000 0.839 44 E CB -0.282 29.402 29.700 -0.027 0.000 0.758 44 E HN 0.423 nan 8.360 nan 0.000 0.457 45 T N -2.383 112.032 114.554 -0.231 0.000 3.155 45 T HA -0.025 4.327 4.350 0.002 0.000 0.264 45 T C 1.019 175.618 174.700 -0.169 0.000 1.160 45 T CA 0.866 62.759 62.100 -0.346 0.000 1.075 45 T CB -0.361 68.201 68.868 -0.510 0.000 0.921 45 T HN 0.147 nan 8.240 nan 0.000 0.533 46 S N -0.683 114.964 115.700 -0.089 0.000 2.835 46 S HA 0.424 4.896 4.470 0.002 0.000 0.248 46 S C 1.079 175.674 174.600 -0.008 0.000 1.070 46 S CA -0.966 57.189 58.200 -0.075 0.000 1.090 46 S CB 0.194 63.349 63.200 -0.075 0.000 0.978 46 S HN 0.336 nan 8.310 nan 0.000 0.510 47 R N 0.278 120.811 120.500 0.055 0.000 2.120 47 R HA 0.046 4.388 4.340 0.002 0.000 0.234 47 R C 1.923 178.318 176.300 0.159 0.000 1.123 47 R CA 1.079 57.253 56.100 0.123 0.000 0.975 47 R CB -0.417 30.015 30.300 0.220 0.000 0.866 47 R HN 0.385 nan 8.270 nan 0.000 0.446 48 L N 0.972 122.276 121.223 0.136 0.000 2.083 48 L HA -0.154 4.188 4.340 0.002 0.000 0.209 48 L C 2.285 179.118 176.870 -0.062 0.000 1.083 48 L CA 2.267 57.163 54.840 0.092 0.000 0.752 48 L CB -0.827 41.196 42.059 -0.060 0.000 0.899 48 L HN 0.280 nan 8.230 nan 0.000 0.433 49 T N -3.645 110.812 114.554 -0.163 0.000 2.985 49 T HA -0.064 4.287 4.350 0.002 0.000 0.266 49 T C 1.930 176.318 174.700 -0.521 0.000 1.076 49 T CA 0.832 62.708 62.100 -0.374 0.000 1.135 49 T CB -0.393 68.246 68.868 -0.383 0.000 0.890 49 T HN 0.189 nan 8.240 nan 0.000 0.480 50 I N 2.285 122.724 120.570 -0.218 0.000 2.315 50 I HA 0.053 4.224 4.170 0.002 0.000 0.248 50 I C 3.101 179.162 176.117 -0.092 0.000 1.117 50 I CA 1.043 62.297 61.300 -0.076 0.000 1.404 50 I CB -1.751 36.265 38.000 0.027 0.000 1.071 50 I HN 0.385 nan 8.210 nan 0.000 0.419 51 A N 0.795 123.570 122.820 -0.074 0.000 1.902 51 A HA -0.263 4.058 4.320 0.002 0.000 0.217 51 A C 2.295 179.783 177.584 -0.160 0.000 1.181 51 A CA 1.422 53.414 52.037 -0.075 0.000 0.623 51 A CB -1.080 17.962 19.000 0.070 0.000 0.818 51 A HN 0.393 nan 8.150 nan 0.000 0.443 52 F N -0.132 119.606 119.950 -0.354 0.000 2.134 52 F HA -0.151 4.377 4.527 0.002 0.000 0.299 52 F C 1.941 177.406 175.800 -0.558 0.000 1.097 52 F CA 1.560 59.272 58.000 -0.479 0.000 1.264 52 F CB -0.473 38.158 39.000 -0.615 0.000 1.001 52 F HN 0.256 nan 8.300 nan 0.000 0.479 53 F N 0.176 119.730 119.950 -0.661 0.000 2.134 53 F HA -0.196 4.333 4.527 0.002 0.000 0.299 53 F C 2.607 177.890 175.800 -0.862 0.000 1.097 53 F CA 0.607 58.048 58.000 -0.930 0.000 1.264 53 F CB -0.804 37.988 39.000 -0.347 0.000 1.001 53 F HN 0.132 nan 8.300 nan 0.000 0.479 54 A N 0.412 123.020 122.820 -0.354 0.000 1.872 54 A HA -0.081 4.240 4.320 0.002 0.000 0.214 54 A C 2.132 179.356 177.584 -0.600 0.000 1.187 54 A CA 1.079 52.852 52.037 -0.439 0.000 0.614 54 A CB -0.952 17.987 19.000 -0.101 0.000 0.826 54 A HN 0.335 nan 8.150 nan 0.000 0.442 55 L N -0.878 120.071 121.223 -0.457 0.000 2.027 55 L HA -0.127 4.215 4.340 0.002 0.000 0.206 55 L C 2.886 179.486 176.870 -0.451 0.000 1.074 55 L CA 1.551 56.169 54.840 -0.369 0.000 0.745 55 L CB -0.484 41.422 42.059 -0.254 0.000 0.898 55 L HN 0.467 nan 8.230 nan 0.000 0.433 56 S N -0.074 115.215 115.700 -0.686 0.000 2.402 56 S HA -0.105 4.367 4.470 0.002 0.000 0.229 56 S C 1.967 176.316 174.600 -0.419 0.000 1.021 56 S CA 1.202 59.029 58.200 -0.622 0.000 0.974 56 S CB -0.334 62.159 63.200 -1.179 0.000 0.800 56 S HN 0.521 nan 8.310 nan 0.000 0.484 57 G N 1.373 109.779 108.800 -0.657 0.000 2.402 57 G HA2 -0.076 3.885 3.960 0.002 0.000 0.216 57 G HA3 -0.076 3.885 3.960 0.002 0.000 0.216 57 G C 1.391 176.019 174.900 -0.454 0.000 1.162 57 G CA 0.707 45.389 45.100 -0.696 0.000 0.777 57 G HN 0.509 nan 8.290 nan 0.000 0.539 58 L N 0.303 121.256 121.223 -0.450 0.000 2.093 58 L HA -0.041 4.300 4.340 0.002 0.000 0.208 58 L C 2.558 179.387 176.870 -0.067 0.000 1.085 58 L CA 1.204 55.974 54.840 -0.117 0.000 0.755 58 L CB -0.284 41.719 42.059 -0.094 0.000 0.904 58 L HN 0.177 nan 8.230 nan 0.000 0.435 59 D N 0.138 120.464 120.400 -0.124 0.000 2.097 59 D HA -0.259 4.383 4.640 0.002 0.000 0.195 59 D C 2.135 178.415 176.300 -0.034 0.000 0.989 59 D CA 1.406 55.362 54.000 -0.073 0.000 0.827 59 D CB 0.047 40.788 40.800 -0.099 0.000 0.966 59 D HN 0.023 nan 8.370 nan 0.000 0.456 60 M N -0.373 119.200 119.600 -0.045 0.000 2.267 60 M HA 0.016 4.497 4.480 0.002 0.000 0.263 60 M C 1.437 177.758 176.300 0.035 0.000 1.063 60 M CA 1.121 56.410 55.300 -0.019 0.000 1.090 60 M CB -0.039 32.528 32.600 -0.055 0.000 1.392 60 M HN 0.087 nan 8.290 nan 0.000 0.422 61 L N -1.265 120.005 121.223 0.079 0.000 2.628 61 L HA 0.129 4.471 4.340 0.002 0.000 0.229 61 L C 0.139 177.067 176.870 0.096 0.000 1.137 61 L CA -0.246 54.678 54.840 0.141 0.000 0.909 61 L CB -0.349 41.850 42.059 0.233 0.000 1.137 61 L HN 0.214 nan 8.230 nan 0.000 0.470 62 D N 0.690 121.122 120.400 0.053 0.000 2.737 62 D HA -0.202 4.439 4.640 0.002 0.000 0.238 62 D C 0.145 176.469 176.300 0.040 0.000 1.157 62 D CA 0.682 54.705 54.000 0.037 0.000 0.694 62 D CB -0.724 40.100 40.800 0.040 0.000 1.021 62 D HN 0.220 nan 8.370 nan 0.000 0.420 63 S N -0.016 115.705 115.700 0.036 0.000 3.073 63 S HA 0.186 4.657 4.470 0.002 0.000 0.252 63 S C 1.531 176.140 174.600 0.016 0.000 0.953 63 S CA -0.578 57.643 58.200 0.036 0.000 1.105 63 S CB 0.198 63.436 63.200 0.063 0.000 1.070 63 S HN 0.381 nan 8.310 nan 0.000 0.574 64 L N 2.099 123.321 121.223 -0.002 0.000 2.353 64 L HA -0.137 4.204 4.340 0.002 0.000 0.220 64 L C 2.192 179.057 176.870 -0.009 0.000 1.133 64 L CA 1.192 56.022 54.840 -0.018 0.000 0.798 64 L CB -0.309 41.734 42.059 -0.026 0.000 0.922 64 L HN 0.494 nan 8.230 nan 0.000 0.445 65 D N 0.090 120.491 120.400 0.000 0.000 2.263 65 D HA -0.155 4.486 4.640 0.002 0.000 0.208 65 D C 1.790 178.090 176.300 -0.000 0.000 0.971 65 D CA 1.459 55.460 54.000 0.002 0.000 0.867 65 D CB -0.410 40.393 40.800 0.006 0.000 0.929 65 D HN 0.418 nan 8.370 nan 0.000 0.492 66 V N -0.669 119.246 119.914 0.001 0.000 3.510 66 V HA 0.075 4.196 4.120 0.002 0.000 0.270 66 V C 0.879 176.966 176.094 -0.012 0.000 1.201 66 V CA 0.223 62.522 62.300 -0.002 0.000 1.166 66 V CB -1.155 30.672 31.823 0.006 0.000 0.825 66 V HN 0.199 nan 8.190 nan 0.000 0.484 67 V N -2.523 117.382 119.914 -0.016 0.000 3.074 67 V HA 0.618 4.740 4.120 0.002 0.000 0.314 67 V C -0.274 175.811 176.094 -0.016 0.000 1.117 67 V CA -0.983 61.302 62.300 -0.025 0.000 1.014 67 V CB 1.898 33.699 31.823 -0.038 0.000 1.057 67 V HN 0.230 nan 8.190 nan 0.000 0.438 68 N N 1.720 120.410 118.700 -0.016 0.000 2.602 68 N HA 0.262 5.003 4.740 0.002 0.000 0.238 68 N C 0.806 176.323 175.510 0.012 0.000 1.084 68 N CA -0.031 53.018 53.050 -0.001 0.000 0.952 68 N CB 0.833 39.319 38.487 -0.002 0.000 1.244 68 N HN 0.804 nan 8.380 nan 0.000 0.512 69 K N 1.462 121.872 120.400 0.016 0.000 2.044 69 K HA -0.169 4.153 4.320 0.002 0.000 0.210 69 K C 0.743 177.378 176.600 0.057 0.000 1.049 69 K CA 1.490 57.794 56.287 0.029 0.000 0.927 69 K CB 0.197 32.712 32.500 0.024 0.000 0.713 69 K HN 0.498 nan 8.250 nan 0.000 0.443 70 D N 1.048 121.483 120.400 0.059 0.000 2.123 70 D HA -0.160 4.481 4.640 0.002 0.000 0.196 70 D C 1.573 177.938 176.300 0.108 0.000 0.992 70 D CA 1.214 55.263 54.000 0.082 0.000 0.833 70 D CB -0.263 40.576 40.800 0.065 0.000 0.954 70 D HN 0.192 nan 8.370 nan 0.000 0.455 71 D N 0.638 121.091 120.400 0.088 0.000 2.097 71 D HA -0.070 4.572 4.640 0.002 0.000 0.195 71 D C 2.357 178.757 176.300 0.167 0.000 0.989 71 D CA 0.393 54.458 54.000 0.110 0.000 0.827 71 D CB -0.286 40.545 40.800 0.053 0.000 0.966 71 D HN 0.277 nan 8.370 nan 0.000 0.456 72 I N 0.757 121.403 120.570 0.127 0.000 2.286 72 I HA -0.207 3.964 4.170 0.002 0.000 0.248 72 I C 2.360 178.627 176.117 0.251 0.000 1.115 72 I CA 0.632 62.039 61.300 0.178 0.000 1.392 72 I CB -0.140 37.909 38.000 0.082 0.000 1.065 72 I HN -0.028 nan 8.210 nan 0.000 0.418 73 I N 0.465 121.145 120.570 0.183 0.000 2.286 73 I HA -0.236 3.935 4.170 0.002 0.000 0.248 73 I C 2.497 178.778 176.117 0.272 0.000 1.115 73 I CA 1.148 62.556 61.300 0.180 0.000 1.392 73 I CB -0.358 37.753 38.000 0.185 0.000 1.065 73 I HN 0.235 nan 8.210 nan 0.000 0.418 74 E N -0.106 120.274 120.200 0.300 0.000 2.106 74 E HA -0.249 4.102 4.350 0.002 0.000 0.192 74 E C 1.738 178.545 176.600 0.345 0.000 0.984 74 E CA 1.106 57.703 56.400 0.328 0.000 0.806 74 E CB -0.379 29.520 29.700 0.332 0.000 0.750 74 E HN 0.608 nan 8.360 nan 0.000 0.458 75 W N 1.774 123.204 121.300 0.218 0.000 2.358 75 W HA -0.103 4.559 4.660 0.002 0.000 0.303 75 W C 1.961 178.545 176.519 0.108 0.000 1.208 75 W CA 1.278 58.755 57.345 0.220 0.000 1.274 75 W CB -0.398 29.158 29.460 0.161 0.000 1.138 75 W HN -0.075 nan 8.180 nan 0.000 0.515 76 I N -0.554 120.031 120.570 0.026 0.000 2.179 76 I HA -0.365 3.806 4.170 0.002 0.000 0.242 76 I C 2.063 178.072 176.117 -0.180 0.000 1.088 76 I CA 1.435 62.591 61.300 -0.241 0.000 1.357 76 I CB -0.880 37.023 38.000 -0.162 0.000 1.051 76 I HN -0.074 nan 8.210 nan 0.000 0.409 77 Y N 1.092 121.378 120.300 -0.023 0.000 2.403 77 Y HA -0.195 4.356 4.550 0.002 0.000 0.291 77 Y C 2.888 178.637 175.900 -0.252 0.000 1.143 77 Y CA 1.294 59.356 58.100 -0.063 0.000 1.257 77 Y CB -0.583 37.848 38.460 -0.049 0.000 0.984 77 Y HN 0.267 nan 8.280 nan 0.000 0.550 78 S N -1.097 114.465 115.700 -0.231 0.000 2.561 78 S HA -0.034 4.438 4.470 0.002 0.000 0.225 78 S C 1.431 175.805 174.600 -0.376 0.000 0.977 78 S CA 0.543 58.470 58.200 -0.455 0.000 0.926 78 S CB -0.593 62.142 63.200 -0.774 0.000 0.769 78 S HN 0.481 nan 8.310 nan 0.000 0.533 79 L N 0.487 121.502 121.223 -0.346 0.000 2.607 79 L HA 0.298 4.640 4.340 0.002 0.000 0.228 79 L C 1.192 177.849 176.870 -0.355 0.000 1.123 79 L CA -0.072 54.587 54.840 -0.301 0.000 0.890 79 L CB -0.139 41.742 42.059 -0.298 0.000 1.103 79 L HN 0.396 nan 8.230 nan 0.000 0.468 80 Q N 1.379 120.844 119.800 -0.558 0.000 2.296 80 Q HA 0.202 4.543 4.340 0.002 0.000 0.262 80 Q C -0.711 174.972 176.000 -0.528 0.000 0.981 80 Q CA -0.246 54.973 55.803 -0.973 0.000 0.905 80 Q CB 1.491 29.645 28.738 -0.974 0.000 1.186 80 Q HN -0.022 nan 8.270 nan 0.000 0.399 81 V N 6.933 126.571 119.914 -0.459 0.000 2.356 81 V HA 0.171 4.292 4.120 0.002 0.000 0.258 81 V C 0.165 176.112 176.094 -0.245 0.000 1.065 81 V CA -0.139 61.997 62.300 -0.273 0.000 0.935 81 V CB 0.158 31.866 31.823 -0.192 0.000 1.061 81 V HN 0.730 nan 8.190 nan 0.000 0.484 82 L N 7.963 129.061 121.223 -0.208 0.000 2.379 82 L HA 0.492 4.834 4.340 0.002 0.000 0.269 82 L C -1.879 174.919 176.870 -0.121 0.000 1.084 82 L CA -1.867 52.874 54.840 -0.165 0.000 0.802 82 L CB 1.475 43.441 42.059 -0.155 0.000 1.175 82 L HN 0.382 nan 8.230 nan 0.000 0.448 83 P HA 0.062 nan 4.420 nan 0.000 0.271 83 P C -0.424 176.832 177.300 -0.073 0.000 1.216 83 P CA -0.333 62.719 63.100 -0.080 0.000 0.776 83 P CB 0.619 32.275 31.700 -0.072 0.000 0.881 84 T N -1.381 113.135 114.554 -0.064 0.000 2.698 84 T HA 0.239 4.590 4.350 0.002 0.000 0.295 84 T C 1.747 176.416 174.700 -0.051 0.000 1.007 84 T CA 0.344 62.411 62.100 -0.056 0.000 0.980 84 T CB -0.364 68.475 68.868 -0.049 0.000 1.036 84 T HN 0.431 nan 8.240 nan 0.000 0.526 85 E N 0.908 121.080 120.200 -0.046 0.000 2.049 85 E HA -0.236 4.115 4.350 0.002 0.000 0.198 85 E C 1.551 178.127 176.600 -0.040 0.000 1.007 85 E CA 2.053 58.428 56.400 -0.042 0.000 0.809 85 E CB -1.644 28.034 29.700 -0.037 0.000 0.749 85 E HN 1.006 nan 8.360 nan 0.000 0.450 86 D N -1.066 119.312 120.400 -0.038 0.000 2.363 86 D HA -0.034 4.608 4.640 0.002 0.000 0.226 86 D C 0.576 176.853 176.300 -0.038 0.000 1.020 86 D CA 0.362 54.340 54.000 -0.036 0.000 0.892 86 D CB -0.214 40.565 40.800 -0.034 0.000 0.900 86 D HN 0.458 nan 8.370 nan 0.000 0.531 87 R N -0.439 120.035 120.500 -0.042 0.000 3.516 87 R HA -0.171 4.171 4.340 0.002 0.000 0.271 87 R C 0.445 176.720 176.300 -0.041 0.000 1.098 87 R CA 0.897 56.971 56.100 -0.044 0.000 0.732 87 R CB -2.946 27.329 30.300 -0.042 0.000 1.152 87 R HN 0.508 nan 8.270 nan 0.000 0.455 88 S N -0.019 115.656 115.700 -0.042 0.000 2.605 88 S HA 0.002 4.473 4.470 0.002 0.000 0.217 88 S C 0.951 175.525 174.600 -0.044 0.000 0.958 88 S CA 0.164 58.340 58.200 -0.040 0.000 0.919 88 S CB 0.103 63.279 63.200 -0.040 0.000 0.780 88 S HN 0.535 nan 8.310 nan 0.000 0.507 89 N N 0.999 119.671 118.700 -0.047 0.000 2.351 89 N HA 0.202 4.943 4.740 0.002 0.000 0.254 89 N C 0.846 176.326 175.510 -0.050 0.000 1.241 89 N CA -0.399 52.622 53.050 -0.049 0.000 0.883 89 N CB -0.489 37.965 38.487 -0.054 0.000 1.202 89 N HN 0.319 nan 8.380 nan 0.000 0.512 90 L N 0.302 121.497 121.223 -0.046 0.000 2.079 90 L HA -0.147 4.194 4.340 0.002 0.000 0.210 90 L C 0.795 177.642 176.870 -0.039 0.000 1.081 90 L CA 1.512 56.325 54.840 -0.044 0.000 0.752 90 L CB -0.252 41.783 42.059 -0.039 0.000 0.896 90 L HN 0.058 nan 8.230 nan 0.000 0.433 91 D N -0.142 120.237 120.400 -0.034 0.000 2.392 91 D HA -0.094 4.548 4.640 0.002 0.000 0.228 91 D C 1.446 177.728 176.300 -0.030 0.000 1.003 91 D CA 0.793 54.776 54.000 -0.028 0.000 0.917 91 D CB 0.027 40.811 40.800 -0.026 0.000 0.890 91 D HN 0.289 nan 8.370 nan 0.000 0.532 92 R N -0.993 119.484 120.500 -0.038 0.000 2.565 92 R HA 0.256 4.597 4.340 0.002 0.000 0.347 92 R C -0.194 176.075 176.300 -0.051 0.000 1.010 92 R CA -0.246 55.830 56.100 -0.039 0.000 1.126 92 R CB 0.508 30.784 30.300 -0.041 0.000 1.331 92 R HN 0.027 nan 8.270 nan 0.000 0.552 93 C N 0.530 119.797 119.300 -0.055 0.000 2.520 93 C HA 0.830 5.291 4.460 0.002 0.000 0.376 93 C C 1.375 176.333 174.990 -0.054 0.000 1.268 93 C CA 0.251 59.223 59.018 -0.077 0.000 2.414 93 C CB 0.921 28.612 27.740 -0.082 0.000 2.521 93 C HN 0.785 nan 8.230 nan 0.000 0.618 94 G N 0.658 109.407 108.800 -0.086 0.000 2.366 94 G HA2 0.271 4.233 3.960 0.002 0.000 0.190 94 G HA3 0.271 4.233 3.960 0.002 0.000 0.190 94 G C -1.620 173.237 174.900 -0.071 0.000 1.299 94 G CA -0.503 44.618 45.100 0.035 0.000 1.056 94 G HN 0.427 nan 8.290 nan 0.000 0.468 95 F N 1.168 121.074 119.950 -0.074 0.000 2.577 95 F HA 0.780 5.308 4.527 0.002 0.000 0.318 95 F C 0.828 176.586 175.800 -0.070 0.000 1.065 95 F CA -0.745 57.195 58.000 -0.101 0.000 0.929 95 F CB 2.089 41.005 39.000 -0.141 0.000 1.237 95 F HN 0.424 nan 8.300 nan 0.000 0.468 96 R N -0.017 120.523 120.500 0.066 0.000 2.573 96 R HA 0.503 4.844 4.340 0.002 0.000 0.272 96 R C 0.969 177.295 176.300 0.042 0.000 1.009 96 R CA -0.387 55.742 56.100 0.048 0.000 1.059 96 R CB 0.683 30.965 30.300 -0.029 0.000 1.112 96 R HN 0.900 nan 8.270 nan 0.000 0.517 97 G N -0.105 108.739 108.800 0.074 0.000 2.511 97 G HA2 -0.096 3.865 3.960 0.002 0.000 0.217 97 G HA3 -0.096 3.865 3.960 0.002 0.000 0.217 97 G C 0.330 175.270 174.900 0.067 0.000 1.133 97 G CA 0.887 45.996 45.100 0.015 0.000 0.792 97 G HN 0.633 nan 8.290 nan 0.000 0.539 98 S N -1.866 113.925 115.700 0.152 0.000 2.714 98 S HA 0.355 4.827 4.470 0.002 0.000 0.280 98 S C 0.332 175.029 174.600 0.163 0.000 1.200 98 S CA 0.513 58.829 58.200 0.193 0.000 0.900 98 S CB 0.722 64.096 63.200 0.289 0.000 1.235 98 S HN 0.495 nan 8.310 nan 0.000 0.512 99 S N 0.247 116.054 115.700 0.178 0.000 2.583 99 S HA 0.151 4.622 4.470 0.002 0.000 0.239 99 S C 1.238 175.864 174.600 0.044 0.000 0.966 99 S CA 0.142 58.381 58.200 0.065 0.000 0.973 99 S CB -1.276 61.999 63.200 0.126 0.000 0.794 99 S HN 1.008 nan 8.310 nan 0.000 0.463 100 Y N 0.581 120.902 120.300 0.035 0.000 2.465 100 Y HA 0.117 4.668 4.550 0.002 0.000 0.289 100 Y C 1.403 177.313 175.900 0.016 0.000 1.150 100 Y CA 0.194 58.314 58.100 0.032 0.000 1.293 100 Y CB -0.700 37.778 38.460 0.029 0.000 0.977 100 Y HN 0.310 nan 8.280 nan 0.000 0.556 101 L N 0.334 121.182 121.223 -0.626 0.000 2.395 101 L HA 0.157 4.499 4.340 0.002 0.000 0.218 101 L C 1.821 178.596 176.870 -0.159 0.000 1.130 101 L CA 1.034 55.601 54.840 -0.455 0.000 0.826 101 L CB -0.554 41.122 42.059 -0.639 0.000 0.941 101 L HN 0.659 nan 8.230 nan 0.000 0.451 102 G N 0.614 109.357 108.800 -0.096 0.000 2.131 102 G HA2 -0.246 3.716 3.960 0.002 0.000 0.223 102 G HA3 -0.246 3.716 3.960 0.002 0.000 0.223 102 G C 0.215 175.119 174.900 0.008 0.000 0.990 102 G CA -0.363 44.735 45.100 -0.004 0.000 0.671 102 G HN 0.242 nan 8.290 nan 0.000 0.521 103 I N 2.891 123.437 120.570 -0.040 0.000 2.496 103 I HA 0.210 4.381 4.170 0.002 0.000 0.285 103 I C -0.800 175.325 176.117 0.013 0.000 1.080 103 I CA -1.647 59.642 61.300 -0.019 0.000 1.404 103 I CB 0.693 38.641 38.000 -0.086 0.000 1.403 103 I HN 0.028 nan 8.210 nan 0.000 0.539 104 P HA -0.087 nan 4.420 nan 0.000 0.264 104 P C -0.413 176.941 177.300 0.090 0.000 1.193 104 P CA -0.102 63.042 63.100 0.072 0.000 0.763 104 P CB 0.321 32.053 31.700 0.054 0.000 0.810 105 F N 3.711 123.663 119.950 0.002 0.000 2.604 105 F HA -0.023 4.505 4.527 0.002 0.000 0.393 105 F C 0.575 176.373 175.800 -0.003 0.000 1.043 105 F CA 0.998 59.002 58.000 0.007 0.000 1.227 105 F CB -0.046 38.974 39.000 0.034 0.000 1.016 105 F HN 0.383 nan 8.300 nan 0.000 0.556 106 N N 7.508 125.876 118.700 -0.552 0.000 2.747 106 N HA 0.254 4.995 4.740 0.002 0.000 0.262 106 N C -2.904 172.319 175.510 -0.479 0.000 1.261 106 N CA -1.731 51.095 53.050 -0.373 0.000 0.809 106 N CB 1.215 39.589 38.487 -0.188 0.000 1.450 106 N HN 0.168 nan 8.380 nan 0.000 0.560 107 P HA 0.080 nan 4.420 nan 0.000 0.237 107 P C -0.692 176.501 177.300 -0.178 0.000 1.701 107 P CA 0.203 63.131 63.100 -0.287 0.000 0.955 107 P CB -0.619 31.001 31.700 -0.132 0.000 1.937 108 S N -1.184 114.403 115.700 -0.188 0.000 3.631 108 S HA -0.211 4.260 4.470 0.002 0.000 0.366 108 S C 1.325 175.812 174.600 -0.189 0.000 0.993 108 S CA 1.568 59.658 58.200 -0.184 0.000 1.167 108 S CB -1.627 61.462 63.200 -0.185 0.000 0.909 108 S HN 0.733 nan 8.310 nan 0.000 0.478 109 K N 0.551 120.861 120.400 -0.151 0.000 2.218 109 K HA 0.260 4.581 4.320 0.002 0.000 0.214 109 K C 0.546 177.089 176.600 -0.096 0.000 1.033 109 K CA 0.947 57.165 56.287 -0.115 0.000 0.949 109 K CB -0.243 32.208 32.500 -0.082 0.000 0.993 109 K HN 0.500 nan 8.250 nan 0.000 0.464 110 N N 1.109 119.758 118.700 -0.085 0.000 2.408 110 N HA 0.293 5.035 4.740 0.002 0.000 0.260 110 N C -2.385 173.076 175.510 -0.082 0.000 1.242 110 N CA -1.589 51.419 53.050 -0.071 0.000 0.959 110 N CB 0.544 38.999 38.487 -0.054 0.000 1.201 110 N HN 0.276 nan 8.380 nan 0.000 0.511 111 P HA 0.115 nan 4.420 nan 0.000 0.274 111 P C 0.059 177.312 177.300 -0.078 0.000 1.256 111 P CA -0.346 62.709 63.100 -0.075 0.000 0.795 111 P CB 0.208 31.872 31.700 -0.061 0.000 1.038 112 G N 0.316 109.067 108.800 -0.083 0.000 2.340 112 G HA2 0.333 4.294 3.960 0.002 0.000 0.245 112 G HA3 0.333 4.294 3.960 0.002 0.000 0.245 112 G C 0.105 174.968 174.900 -0.061 0.000 1.294 112 G CA -0.202 44.848 45.100 -0.083 0.000 0.896 112 G HN 0.583 nan 8.290 nan 0.000 0.522 113 T N 0.113 114.635 114.554 -0.053 0.000 2.728 113 T HA 0.609 4.960 4.350 0.002 0.000 0.296 113 T C 0.625 175.320 174.700 -0.009 0.000 0.940 113 T CA -0.165 61.917 62.100 -0.029 0.000 1.013 113 T CB 1.427 70.284 68.868 -0.018 0.000 0.912 113 T HN 0.974 nan 8.240 nan 0.000 0.484 114 A N 3.253 126.065 122.820 -0.013 0.000 2.561 114 A HA 0.331 4.653 4.320 0.002 0.000 0.234 114 A C 0.311 177.920 177.584 0.042 0.000 1.055 114 A CA 0.067 52.101 52.037 -0.005 0.000 0.756 114 A CB -0.167 18.814 19.000 -0.032 0.000 0.986 114 A HN 1.054 nan 8.150 nan 0.000 0.505 115 H N 2.542 121.569 119.070 -0.071 0.000 3.137 115 H HA 0.289 4.846 4.556 0.002 0.000 0.336 115 H C -2.497 172.767 175.328 -0.106 0.000 1.055 115 H CA -1.200 54.811 56.048 -0.062 0.000 1.349 115 H CB 1.813 31.547 29.762 -0.046 0.000 1.939 115 H HN 0.369 nan 8.280 nan 0.000 0.487 116 P HA -0.091 nan 4.420 nan 0.000 0.218 116 P C 0.042 177.069 177.300 -0.454 0.000 1.146 116 P CA 1.423 64.334 63.100 -0.314 0.000 0.813 116 P CB 0.102 31.529 31.700 -0.454 0.000 0.778 117 Y N -2.362 118.158 120.300 0.368 0.000 2.682 117 Y HA 0.260 4.812 4.550 0.002 0.000 0.251 117 Y C 0.157 176.048 175.900 -0.014 0.000 1.172 117 Y CA -1.073 57.118 58.100 0.152 0.000 1.186 117 Y CB -0.043 38.505 38.460 0.147 0.000 1.216 117 Y HN -0.147 nan 8.280 nan 0.000 0.540 118 D N 1.500 121.904 120.400 0.006 0.000 2.313 118 D HA 0.465 5.106 4.640 0.002 0.000 0.239 118 D C -0.196 176.061 176.300 -0.071 0.000 1.142 118 D CA 0.119 54.025 54.000 -0.157 0.000 0.847 118 D CB 0.715 41.347 40.800 -0.280 0.000 1.082 118 D HN 0.154 nan 8.370 nan 0.000 0.480 119 S N 1.581 117.250 115.700 -0.051 0.000 2.643 119 S HA 0.778 5.250 4.470 0.002 0.000 0.270 119 S C 0.189 174.782 174.600 -0.011 0.000 1.166 119 S CA -0.880 57.300 58.200 -0.033 0.000 0.815 119 S CB 0.862 64.057 63.200 -0.009 0.000 1.139 119 S HN 0.471 nan 8.310 nan 0.000 0.472 120 G N -0.142 108.652 108.800 -0.010 0.000 2.580 120 G HA2 0.500 4.462 3.960 0.002 0.000 0.278 120 G HA3 0.500 4.462 3.960 0.002 0.000 0.278 120 G C -0.849 174.093 174.900 0.071 0.000 1.212 120 G CA -0.299 44.820 45.100 0.033 0.000 0.939 120 G HN 0.847 nan 8.290 nan 0.000 0.513 121 H N 0.796 119.865 119.070 -0.003 0.000 2.658 121 H HA 0.226 4.783 4.556 0.002 0.000 0.337 121 H C 1.040 176.333 175.328 -0.059 0.000 1.009 121 H CA -0.696 55.326 56.048 -0.044 0.000 1.231 121 H CB 1.809 31.561 29.762 -0.017 0.000 1.508 121 H HN 0.385 nan 8.280 nan 0.000 0.517 122 I N 3.995 124.391 120.570 -0.291 0.000 2.236 122 I HA -0.337 3.835 4.170 0.002 0.000 0.249 122 I C 1.918 178.065 176.117 0.051 0.000 1.102 122 I CA 1.931 63.135 61.300 -0.161 0.000 1.365 122 I CB -0.044 37.767 38.000 -0.315 0.000 1.051 122 I HN 0.704 nan 8.210 nan 0.000 0.420 123 A N -0.250 122.721 122.820 0.252 0.000 2.066 123 A HA -0.116 4.205 4.320 0.002 0.000 0.218 123 A C 2.091 179.777 177.584 0.170 0.000 1.157 123 A CA 1.012 53.257 52.037 0.348 0.000 0.670 123 A CB -0.255 19.027 19.000 0.470 0.000 0.804 123 A HN 0.415 nan 8.150 nan 0.000 0.453 124 M N -0.791 118.912 119.600 0.172 0.000 2.334 124 M HA -0.002 4.480 4.480 0.002 0.000 0.266 124 M C 1.989 178.233 176.300 -0.094 0.000 1.082 124 M CA 1.491 56.786 55.300 -0.008 0.000 1.141 124 M CB -1.872 30.752 32.600 0.041 0.000 1.380 124 M HN 0.328 nan 8.290 nan 0.000 0.440 125 T N 0.431 114.990 114.554 0.007 0.000 2.777 125 T HA -0.164 4.187 4.350 0.002 0.000 0.266 125 T C 1.698 176.274 174.700 -0.207 0.000 1.040 125 T CA 1.427 63.493 62.100 -0.056 0.000 1.141 125 T CB -0.468 68.448 68.868 0.079 0.000 0.868 125 T HN 0.350 nan 8.240 nan 0.000 0.444 126 Y N 3.095 123.262 120.300 -0.221 0.000 2.089 126 Y HA -0.209 4.342 4.550 0.002 0.000 0.282 126 Y C 2.699 178.383 175.900 -0.360 0.000 1.139 126 Y CA 1.938 59.877 58.100 -0.267 0.000 1.123 126 Y CB -1.298 37.029 38.460 -0.222 0.000 0.980 126 Y HN 0.298 nan 8.280 nan 0.000 0.493 127 T N -1.980 112.006 114.554 -0.947 0.000 2.881 127 T HA -0.038 4.314 4.350 0.002 0.000 0.270 127 T C 2.207 176.519 174.700 -0.646 0.000 1.068 127 T CA 1.102 62.547 62.100 -1.092 0.000 1.131 127 T CB -1.352 66.997 68.868 -0.865 0.000 0.871 127 T HN 0.445 nan 8.240 nan 0.000 0.479 128 G N 1.938 110.374 108.800 -0.607 0.000 2.453 128 G HA2 -0.042 3.919 3.960 0.002 0.000 0.215 128 G HA3 -0.042 3.919 3.960 0.002 0.000 0.215 128 G C 1.497 175.978 174.900 -0.698 0.000 1.201 128 G CA 0.714 45.375 45.100 -0.732 0.000 0.784 128 G HN 0.505 nan 8.290 nan 0.000 0.545 129 L N 0.569 121.382 121.223 -0.683 0.000 2.042 129 L HA -0.120 4.221 4.340 0.002 0.000 0.210 129 L C 3.110 179.829 176.870 -0.251 0.000 1.076 129 L CA 1.329 55.929 54.840 -0.400 0.000 0.749 129 L CB -0.490 41.425 42.059 -0.241 0.000 0.893 129 L HN 0.330 nan 8.230 nan 0.000 0.432 130 S N -0.945 114.583 115.700 -0.287 0.000 2.359 130 S HA -0.229 4.242 4.470 0.002 0.000 0.224 130 S C 2.181 176.728 174.600 -0.089 0.000 1.035 130 S CA 1.635 59.726 58.200 -0.181 0.000 1.018 130 S CB -0.307 62.658 63.200 -0.391 0.000 0.876 130 S HN 0.505 nan 8.310 nan 0.000 0.448 131 C N 1.038 120.260 119.300 -0.131 0.000 2.429 131 C HA 0.041 4.503 4.460 0.002 0.000 0.277 131 C C 2.520 177.453 174.990 -0.094 0.000 1.262 131 C CA 0.619 59.591 59.018 -0.077 0.000 1.733 131 C CB -1.566 26.120 27.740 -0.090 0.000 2.010 131 C HN 0.585 nan 8.230 nan 0.000 0.483 132 L N 0.349 121.480 121.223 -0.153 0.000 2.042 132 L HA -0.196 4.145 4.340 0.002 0.000 0.210 132 L C 2.370 179.216 176.870 -0.040 0.000 1.076 132 L CA 1.666 56.436 54.840 -0.116 0.000 0.749 132 L CB -0.545 41.403 42.059 -0.184 0.000 0.893 132 L HN 0.368 nan 8.230 nan 0.000 0.432 133 I N -0.333 120.214 120.570 -0.039 0.000 2.226 133 I HA -0.304 3.867 4.170 0.002 0.000 0.245 133 I C 2.403 178.509 176.117 -0.018 0.000 1.100 133 I CA 1.395 62.686 61.300 -0.015 0.000 1.374 133 I CB -0.207 37.781 38.000 -0.019 0.000 1.057 133 I HN 0.182 nan 8.210 nan 0.000 0.413 134 I N 0.513 121.068 120.570 -0.026 0.000 2.286 134 I HA -0.282 3.890 4.170 0.002 0.000 0.248 134 I C 2.132 178.231 176.117 -0.030 0.000 1.115 134 I CA 1.452 62.733 61.300 -0.033 0.000 1.392 134 I CB -0.224 37.741 38.000 -0.058 0.000 1.065 134 I HN 0.222 nan 8.210 nan 0.000 0.418 135 L N 0.259 121.468 121.223 -0.024 0.000 2.599 135 L HA 0.107 4.448 4.340 0.002 0.000 0.230 135 L C 1.644 178.521 176.870 0.012 0.000 1.141 135 L CA 0.695 55.531 54.840 -0.007 0.000 0.877 135 L CB -0.348 41.713 42.059 0.003 0.000 1.009 135 L HN 0.531 nan 8.230 nan 0.000 0.447 136 G N -0.602 108.205 108.800 0.012 0.000 2.175 136 G HA2 -0.265 3.696 3.960 0.002 0.000 0.244 136 G HA3 -0.265 3.696 3.960 0.002 0.000 0.244 136 G C 0.237 175.167 174.900 0.049 0.000 0.982 136 G CA 0.117 45.231 45.100 0.023 0.000 0.641 136 G HN 0.399 nan 8.290 nan 0.000 0.527 137 D N 0.893 121.335 120.400 0.069 0.000 2.378 137 D HA 0.252 4.893 4.640 0.002 0.000 0.238 137 D C 1.009 177.387 176.300 0.130 0.000 1.180 137 D CA 0.759 54.831 54.000 0.121 0.000 0.895 137 D CB 0.603 41.504 40.800 0.168 0.000 1.192 137 D HN 0.287 nan 8.370 nan 0.000 0.438 138 D N 1.093 121.596 120.400 0.173 0.000 2.363 138 D HA 0.026 4.668 4.640 0.002 0.000 0.214 138 D C 1.010 177.506 176.300 0.326 0.000 1.093 138 D CA -0.305 53.827 54.000 0.218 0.000 0.837 138 D CB -0.051 40.870 40.800 0.202 0.000 0.948 138 D HN 0.264 nan 8.370 nan 0.000 0.507 139 L N 0.369 121.771 121.223 0.298 0.000 4.429 139 L HA -0.279 4.062 4.340 0.002 0.000 0.422 139 L C 1.726 178.718 176.870 0.203 0.000 1.149 139 L CA 1.002 56.026 54.840 0.307 0.000 0.972 139 L CB -2.985 39.276 42.059 0.338 0.000 2.059 139 L HN 0.315 nan 8.230 nan 0.000 0.870 140 S N -1.544 114.249 115.700 0.155 0.000 2.423 140 S HA -0.092 4.380 4.470 0.002 0.000 0.231 140 S C 1.698 176.278 174.600 -0.033 0.000 1.014 140 S CA 1.148 59.367 58.200 0.032 0.000 0.965 140 S CB -0.168 63.049 63.200 0.028 0.000 0.785 140 S HN 0.631 nan 8.310 nan 0.000 0.495 141 R N 0.658 121.123 120.500 -0.057 0.000 2.310 141 R HA 0.324 4.666 4.340 0.002 0.000 0.202 141 R C -0.550 175.757 176.300 0.012 0.000 0.933 141 R CA -0.069 55.898 56.100 -0.222 0.000 1.054 141 R CB 0.246 30.053 30.300 -0.821 0.000 0.985 141 R HN 0.257 nan 8.270 nan 0.000 0.489 142 V N 1.667 121.687 119.914 0.177 0.000 2.461 142 V HA 0.017 4.138 4.120 0.002 0.000 0.275 142 V C 0.220 176.332 176.094 0.030 0.000 1.047 142 V CA -0.551 61.871 62.300 0.203 0.000 0.955 142 V CB 1.414 33.379 31.823 0.237 0.000 0.988 142 V HN 0.089 nan 8.190 nan 0.000 0.471 143 D N 4.825 125.221 120.400 -0.007 0.000 2.508 143 D HA 0.108 4.750 4.640 0.002 0.000 0.224 143 D C 1.290 177.559 176.300 -0.052 0.000 1.171 143 D CA -0.043 53.923 54.000 -0.056 0.000 1.006 143 D CB 0.448 41.202 40.800 -0.076 0.000 1.073 143 D HN 0.504 nan 8.370 nan 0.000 0.513 144 K N 1.307 121.661 120.400 -0.077 0.000 2.059 144 K HA -0.202 4.119 4.320 0.002 0.000 0.212 144 K C 1.457 178.011 176.600 -0.076 0.000 1.050 144 K CA 1.071 57.305 56.287 -0.089 0.000 0.927 144 K CB 0.223 32.620 32.500 -0.171 0.000 0.714 144 K HN 0.350 nan 8.250 nan 0.000 0.447 145 E N 0.284 120.435 120.200 -0.082 0.000 2.110 145 E HA -0.146 4.205 4.350 0.002 0.000 0.193 145 E C 2.001 178.570 176.600 -0.051 0.000 0.988 145 E CA 1.123 57.483 56.400 -0.065 0.000 0.804 145 E CB -0.181 29.480 29.700 -0.065 0.000 0.745 145 E HN 0.349 nan 8.360 nan 0.000 0.458 146 A N 0.631 123.418 122.820 -0.054 0.000 1.898 146 A HA -0.164 4.157 4.320 0.002 0.000 0.216 146 A C 2.635 180.195 177.584 -0.039 0.000 1.181 146 A CA 1.293 53.299 52.037 -0.051 0.000 0.620 146 A CB -0.858 18.102 19.000 -0.066 0.000 0.819 146 A HN 0.335 nan 8.150 nan 0.000 0.442 147 C N -0.631 118.652 119.300 -0.027 0.000 2.432 147 C HA -0.074 4.387 4.460 0.002 0.000 0.277 147 C C 2.633 177.615 174.990 -0.014 0.000 1.249 147 C CA 1.066 60.083 59.018 -0.002 0.000 1.725 147 C CB -1.522 26.239 27.740 0.035 0.000 2.028 147 C HN 0.627 nan 8.230 nan 0.000 0.477 148 L N 0.980 122.186 121.223 -0.028 0.000 2.131 148 L HA -0.152 4.189 4.340 0.002 0.000 0.210 148 L C 2.834 179.699 176.870 -0.008 0.000 1.092 148 L CA 1.495 56.318 54.840 -0.027 0.000 0.759 148 L CB -0.736 41.299 42.059 -0.040 0.000 0.903 148 L HN 0.360 nan 8.230 nan 0.000 0.435 149 A N 0.318 123.129 122.820 -0.015 0.000 1.898 149 A HA -0.077 4.245 4.320 0.002 0.000 0.216 149 A C 2.419 180.000 177.584 -0.004 0.000 1.181 149 A CA 1.575 53.606 52.037 -0.011 0.000 0.620 149 A CB -1.122 17.865 19.000 -0.023 0.000 0.819 149 A HN 0.417 nan 8.150 nan 0.000 0.442 150 G N -0.456 108.339 108.800 -0.009 0.000 2.408 150 G HA2 -0.143 3.818 3.960 0.002 0.000 0.217 150 G HA3 -0.143 3.818 3.960 0.002 0.000 0.217 150 G C 1.577 176.487 174.900 0.016 0.000 1.150 150 G CA 0.881 45.977 45.100 -0.006 0.000 0.776 150 G HN 0.400 nan 8.290 nan 0.000 0.542 151 L N -0.138 121.100 121.223 0.026 0.000 1.994 151 L HA -0.059 4.282 4.340 0.002 0.000 0.208 151 L C 3.233 180.202 176.870 0.165 0.000 1.071 151 L CA 1.224 56.106 54.840 0.071 0.000 0.745 151 L CB -0.271 41.801 42.059 0.022 0.000 0.892 151 L HN 0.197 nan 8.230 nan 0.000 0.431 152 R N -0.435 120.131 120.500 0.109 0.000 2.103 152 R HA -0.217 4.124 4.340 0.002 0.000 0.242 152 R C 2.160 178.484 176.300 0.039 0.000 1.142 152 R CA 1.495 57.649 56.100 0.091 0.000 0.960 152 R CB -0.527 29.800 30.300 0.044 0.000 0.858 152 R HN 0.445 nan 8.270 nan 0.000 0.439 153 A N 0.742 123.576 122.820 0.025 0.000 2.125 153 A HA -0.078 4.243 4.320 0.002 0.000 0.219 153 A C 1.985 179.561 177.584 -0.013 0.000 1.156 153 A CA 1.013 53.047 52.037 -0.005 0.000 0.671 153 A CB -0.287 18.708 19.000 -0.008 0.000 0.794 153 A HN 0.203 nan 8.150 nan 0.000 0.459 154 L N -1.053 120.190 121.223 0.035 0.000 2.446 154 L HA 0.051 4.393 4.340 0.002 0.000 0.219 154 L C 1.390 178.203 176.870 -0.094 0.000 1.116 154 L CA -0.003 54.863 54.840 0.042 0.000 0.844 154 L CB -0.187 41.968 42.059 0.161 0.000 0.970 154 L HN 0.487 nan 8.230 nan 0.000 0.457 155 Q N 1.391 120.996 119.800 -0.324 0.000 2.314 155 Q HA 0.317 4.659 4.340 0.002 0.000 0.258 155 Q C -0.578 175.173 176.000 -0.416 0.000 0.954 155 Q CA -0.107 55.206 55.803 -0.816 0.000 0.890 155 Q CB 0.934 29.076 28.738 -0.994 0.000 1.210 155 Q HN 0.240 nan 8.270 nan 0.000 0.410 156 L N 2.174 123.163 121.223 -0.391 0.000 2.416 156 L HA 0.231 4.572 4.340 0.002 0.000 0.263 156 L C 1.206 177.972 176.870 -0.173 0.000 1.065 156 L CA -0.649 54.064 54.840 -0.211 0.000 0.798 156 L CB 0.490 42.456 42.059 -0.155 0.000 1.267 156 L HN 0.726 nan 8.230 nan 0.000 0.467 157 E N 1.128 121.270 120.200 -0.097 0.000 2.118 157 E HA -0.247 4.105 4.350 0.002 0.000 0.195 157 E C 1.260 177.836 176.600 -0.041 0.000 0.992 157 E CA 1.721 58.084 56.400 -0.061 0.000 0.804 157 E CB -0.063 29.617 29.700 -0.032 0.000 0.741 157 E HN 0.707 nan 8.360 nan 0.000 0.458 158 D N -1.797 118.589 120.400 -0.024 0.000 2.363 158 D HA 0.050 4.692 4.640 0.002 0.000 0.226 158 D C 1.356 177.694 176.300 0.062 0.000 1.020 158 D CA 0.928 54.961 54.000 0.055 0.000 0.892 158 D CB -0.032 40.852 40.800 0.141 0.000 0.900 158 D HN 0.303 nan 8.370 nan 0.000 0.531 159 G N -0.131 108.617 108.800 -0.086 0.000 2.258 159 G HA2 -0.292 3.670 3.960 0.002 0.000 0.233 159 G HA3 -0.292 3.670 3.960 0.002 0.000 0.233 159 G C 0.567 175.282 174.900 -0.308 0.000 1.006 159 G CA 0.410 45.439 45.100 -0.118 0.000 0.620 159 G HN 0.813 nan 8.290 nan 0.000 0.511 160 S N -0.160 115.214 115.700 -0.543 0.000 2.640 160 S HA 0.814 5.285 4.470 0.002 0.000 0.262 160 S C -0.152 174.207 174.600 -0.403 0.000 1.232 160 S CA -0.257 57.563 58.200 -0.632 0.000 0.988 160 S CB 1.226 63.745 63.200 -1.136 0.000 1.034 160 S HN 0.573 nan 8.310 nan 0.000 0.569 161 F N -1.441 118.427 119.950 -0.136 0.000 2.593 161 F HA 0.596 5.124 4.527 0.002 0.000 0.320 161 F C 0.303 176.155 175.800 0.087 0.000 1.060 161 F CA -1.003 56.989 58.000 -0.014 0.000 0.940 161 F CB 1.536 40.551 39.000 0.025 0.000 1.268 161 F HN 0.667 nan 8.300 nan 0.000 0.475 162 C N 0.479 119.883 119.300 0.173 0.000 2.345 162 C HA 0.704 5.165 4.460 0.002 0.000 0.370 162 C C 1.440 176.235 174.990 -0.325 0.000 1.209 162 C CA -0.037 58.998 59.018 0.029 0.000 2.133 162 C CB 1.381 29.108 27.740 -0.021 0.000 2.293 162 C HN 0.971 nan 8.230 nan 0.000 0.544 163 A N 0.513 122.916 122.820 -0.696 0.000 1.997 163 A HA 0.371 4.692 4.320 0.002 0.000 0.212 163 A C 0.573 177.759 177.584 -0.663 0.000 1.178 163 A CA 1.155 52.514 52.037 -1.130 0.000 0.698 163 A CB -0.161 17.890 19.000 -1.581 0.000 0.842 163 A HN 1.267 nan 8.150 nan 0.000 0.458 164 V N -4.820 114.885 119.914 -0.349 0.000 2.925 164 V HA 0.503 4.625 4.120 0.002 0.000 0.311 164 V C -2.374 173.673 176.094 -0.078 0.000 1.104 164 V CA -1.666 60.534 62.300 -0.166 0.000 0.954 164 V CB 1.833 33.618 31.823 -0.064 0.000 1.022 164 V HN 0.064 nan 8.190 nan 0.000 0.427 165 P HA -0.110 nan 4.420 nan 0.000 0.219 165 P C 0.899 178.199 177.300 -0.000 0.000 1.146 165 P CA 1.345 64.433 63.100 -0.021 0.000 0.808 165 P CB 0.436 32.125 31.700 -0.018 0.000 0.779 166 E N -0.223 119.990 120.200 0.021 0.000 2.347 166 E HA 0.236 4.587 4.350 0.002 0.000 0.196 166 E C 1.114 177.737 176.600 0.039 0.000 1.008 166 E CA 0.839 57.269 56.400 0.050 0.000 0.852 166 E CB -0.554 29.205 29.700 0.098 0.000 0.783 166 E HN 0.350 nan 8.360 nan 0.000 0.505 167 G N -0.455 108.357 108.800 0.019 0.000 2.640 167 G HA2 0.234 4.196 3.960 0.002 0.000 0.686 167 G HA3 0.234 4.196 3.960 0.002 0.000 0.686 167 G C -0.302 174.615 174.900 0.029 0.000 1.229 167 G CA -0.472 44.640 45.100 0.020 0.000 0.796 167 G HN 0.587 nan 8.290 nan 0.000 0.654 168 S N -0.427 115.296 115.700 0.039 0.000 2.669 168 S HA 0.760 5.231 4.470 0.002 0.000 0.266 168 S C -0.427 174.240 174.600 0.111 0.000 1.149 168 S CA 0.110 58.354 58.200 0.074 0.000 0.842 168 S CB 1.463 64.697 63.200 0.056 0.000 1.160 168 S HN 2.016 nan 8.310 nan 0.000 0.487 169 E N 1.354 121.655 120.200 0.168 0.000 2.392 169 E HA 0.315 4.667 4.350 0.002 0.000 0.256 169 E C -0.843 175.904 176.600 0.245 0.000 1.145 169 E CA -0.451 56.049 56.400 0.167 0.000 0.929 169 E CB 0.120 29.910 29.700 0.149 0.000 0.998 169 E HN 0.754 nan 8.360 nan 0.000 0.442 170 N N 0.630 119.431 118.700 0.168 0.000 2.295 170 N HA 0.376 5.118 4.740 0.002 0.000 0.293 170 N C -1.382 174.173 175.510 0.075 0.000 1.040 170 N CA -0.523 52.634 53.050 0.179 0.000 0.840 170 N CB 2.096 40.635 38.487 0.087 0.000 1.468 170 N HN 0.621 nan 8.380 nan 0.000 0.478 171 D N -0.018 120.387 120.400 0.009 0.000 2.865 171 D HA 0.126 4.768 4.640 0.002 0.000 0.343 171 D C 0.592 176.880 176.300 -0.019 0.000 1.372 171 D CA -0.655 53.344 54.000 -0.002 0.000 0.862 171 D CB 0.443 41.210 40.800 -0.055 0.000 1.425 171 D HN 0.213 nan 8.370 nan 0.000 0.501 172 M N -0.000 119.657 119.600 0.096 0.000 2.202 172 M HA 0.070 4.551 4.480 0.002 0.000 0.262 172 M C 1.830 178.136 176.300 0.010 0.000 1.063 172 M CA 1.713 57.086 55.300 0.121 0.000 1.097 172 M CB -0.358 32.309 32.600 0.112 0.000 1.382 172 M HN 0.446 nan 8.290 nan 0.000 0.413 173 R N -1.250 119.148 120.500 -0.171 0.000 2.096 173 R HA -0.171 4.170 4.340 0.002 0.000 0.240 173 R C 2.043 178.335 176.300 -0.014 0.000 1.139 173 R CA 2.088 58.075 56.100 -0.188 0.000 0.952 173 R CB -0.705 29.304 30.300 -0.486 0.000 0.854 173 R HN 0.428 nan 8.270 nan 0.000 0.436 174 F N -0.354 119.644 119.950 0.081 0.000 2.456 174 F HA -0.085 4.443 4.527 0.002 0.000 0.298 174 F C 2.234 177.978 175.800 -0.094 0.000 1.104 174 F CA -0.108 57.899 58.000 0.012 0.000 1.435 174 F CB 0.006 39.032 39.000 0.044 0.000 1.078 174 F HN -0.167 nan 8.300 nan 0.000 0.546 175 V N -0.409 119.594 119.914 0.149 0.000 2.427 175 V HA -0.319 3.802 4.120 0.002 0.000 0.248 175 V C 2.032 178.126 176.094 -0.000 0.000 1.051 175 V CA 1.733 64.085 62.300 0.087 0.000 1.048 175 V CB -0.768 31.178 31.823 0.205 0.000 0.666 175 V HN 0.390 nan 8.190 nan 0.000 0.456 176 Y N 0.286 120.556 120.300 -0.050 0.000 2.200 176 Y HA -0.248 4.304 4.550 0.003 0.000 0.290 176 Y C 2.523 178.293 175.900 -0.217 0.000 1.137 176 Y CA 1.576 59.621 58.100 -0.091 0.000 1.163 176 Y CB -0.715 37.730 38.460 -0.026 0.000 0.988 176 Y HN 0.236 nan 8.280 nan 0.000 0.518 177 C N 0.396 119.515 119.300 -0.301 0.000 2.429 177 C HA -0.129 4.332 4.460 0.002 0.000 0.277 177 C C 3.082 177.785 174.990 -0.477 0.000 1.262 177 C CA 1.249 59.985 59.018 -0.471 0.000 1.733 177 C CB -1.753 25.941 27.740 -0.076 0.000 2.010 177 C HN 0.736 nan 8.230 nan 0.000 0.483 178 A N 0.397 122.913 122.820 -0.507 0.000 1.902 178 A HA -0.172 4.149 4.320 0.002 0.000 0.217 178 A C 2.263 179.591 177.584 -0.428 0.000 1.181 178 A CA 2.374 54.035 52.037 -0.627 0.000 0.623 178 A CB -0.838 17.338 19.000 -1.374 0.000 0.818 178 A HN 0.562 nan 8.150 nan 0.000 0.443 179 S N -0.910 114.598 115.700 -0.320 0.000 2.368 179 S HA -0.206 4.266 4.470 0.002 0.000 0.225 179 S C 1.950 176.380 174.600 -0.284 0.000 1.030 179 S CA 1.462 59.585 58.200 -0.128 0.000 0.999 179 S CB -0.717 62.514 63.200 0.051 0.000 0.844 179 S HN 0.718 nan 8.310 nan 0.000 0.459 180 C N 1.290 120.303 119.300 -0.479 0.000 2.425 180 C HA 0.029 4.491 4.460 0.002 0.000 0.277 180 C C 2.440 177.303 174.990 -0.212 0.000 1.280 180 C CA 0.235 59.008 59.018 -0.409 0.000 1.744 180 C CB -1.368 25.902 27.740 -0.784 0.000 1.989 180 C HN 0.550 nan 8.230 nan 0.000 0.491 181 I N -0.019 120.395 120.570 -0.260 0.000 2.179 181 I HA -0.236 3.935 4.170 0.002 0.000 0.242 181 I C 2.585 178.547 176.117 -0.259 0.000 1.088 181 I CA 1.428 62.619 61.300 -0.181 0.000 1.357 181 I CB -0.553 37.341 38.000 -0.176 0.000 1.051 181 I HN 0.363 nan 8.210 nan 0.000 0.409 182 C N -0.197 118.821 119.300 -0.471 0.000 2.429 182 C HA -0.229 4.232 4.460 0.002 0.000 0.277 182 C C 2.813 177.302 174.990 -0.834 0.000 1.262 182 C CA 0.744 59.284 59.018 -0.797 0.000 1.733 182 C CB -1.003 25.904 27.740 -1.389 0.000 2.010 182 C HN 0.510 nan 8.230 nan 0.000 0.483 183 Y N 1.039 120.892 120.300 -0.746 0.000 2.145 183 Y HA -0.191 4.361 4.550 0.003 0.000 0.286 183 Y C 2.488 178.370 175.900 -0.030 0.000 1.145 183 Y CA 1.787 59.725 58.100 -0.269 0.000 1.148 183 Y CB -0.355 38.093 38.460 -0.019 0.000 0.981 183 Y HN 0.240 nan 8.280 nan 0.000 0.507 184 M N -0.602 119.090 119.600 0.154 0.000 2.175 184 M HA -0.186 4.296 4.480 0.002 0.000 0.264 184 M C 1.698 178.163 176.300 0.275 0.000 1.063 184 M CA 1.439 56.870 55.300 0.218 0.000 1.119 184 M CB -0.281 32.405 32.600 0.144 0.000 1.377 184 M HN 0.261 nan 8.290 nan 0.000 0.415 185 L N -0.062 121.212 121.223 0.085 0.000 2.599 185 L HA 0.032 4.373 4.340 0.002 0.000 0.230 185 L C 0.419 177.296 176.870 0.012 0.000 1.141 185 L CA -0.187 54.718 54.840 0.108 0.000 0.877 185 L CB -0.808 41.226 42.059 -0.041 0.000 1.009 185 L HN 0.426 nan 8.230 nan 0.000 0.447 186 N N 2.058 120.641 118.700 -0.196 0.000 2.714 186 N HA -0.264 4.477 4.740 0.002 0.000 0.252 186 N C -0.496 174.885 175.510 -0.215 0.000 1.014 186 N CA 0.450 53.258 53.050 -0.402 0.000 0.735 186 N CB -0.920 37.057 38.487 -0.850 0.000 0.924 186 N HN 0.463 nan 8.380 nan 0.000 0.540 187 N N -0.081 118.451 118.700 -0.279 0.000 2.616 187 N HA 0.170 4.912 4.740 0.002 0.000 0.281 187 N C -0.775 174.574 175.510 -0.267 0.000 1.145 187 N CA -0.533 52.422 53.050 -0.158 0.000 0.919 187 N CB 0.029 38.451 38.487 -0.109 0.000 1.509 187 N HN 0.267 nan 8.380 nan 0.000 0.537 188 W N 2.007 123.306 121.300 -0.002 0.000 3.438 188 W HA 0.150 4.810 4.660 0.001 0.000 0.322 188 W C 1.835 178.368 176.519 0.024 0.000 1.261 188 W CA -0.100 57.255 57.345 0.018 0.000 1.788 188 W CB 0.097 29.573 29.460 0.026 0.000 1.065 188 W HN 0.652 nan 8.180 nan 0.000 0.715 189 S N -1.374 114.396 115.700 0.118 0.000 2.561 189 S HA 0.016 4.488 4.470 0.002 0.000 0.225 189 S C 1.926 176.570 174.600 0.073 0.000 0.977 189 S CA 0.789 59.044 58.200 0.091 0.000 0.926 189 S CB -0.359 62.867 63.200 0.045 0.000 0.769 189 S HN 0.254 nan 8.310 nan 0.000 0.533 190 G N 1.379 110.207 108.800 0.047 0.000 2.679 190 G HA2 0.325 4.286 3.960 0.002 0.000 0.212 190 G HA3 0.325 4.286 3.960 0.002 0.000 0.212 190 G C 0.351 175.341 174.900 0.149 0.000 1.137 190 G CA 0.546 45.673 45.100 0.045 0.000 0.787 190 G HN 0.749 nan 8.290 nan 0.000 0.534 191 M N -2.430 117.294 119.600 0.208 0.000 2.644 191 M HA 0.491 4.972 4.480 0.002 0.000 0.273 191 M C -2.192 174.238 176.300 0.217 0.000 1.253 191 M CA -1.034 54.445 55.300 0.298 0.000 0.852 191 M CB 2.071 34.956 32.600 0.476 0.000 1.708 191 M HN -0.186 nan 8.290 nan 0.000 0.471 192 D N 2.019 122.514 120.400 0.158 0.000 2.500 192 D HA 0.265 4.906 4.640 0.002 0.000 0.219 192 D C 0.615 176.984 176.300 0.116 0.000 1.137 192 D CA -0.177 53.880 54.000 0.095 0.000 0.946 192 D CB 0.909 41.726 40.800 0.028 0.000 1.022 192 D HN 0.848 nan 8.370 nan 0.000 0.518 193 M N 3.226 122.906 119.600 0.133 0.000 2.144 193 M HA -0.217 4.264 4.480 0.002 0.000 0.260 193 M C 1.852 178.179 176.300 0.044 0.000 1.067 193 M CA 1.520 56.880 55.300 0.100 0.000 1.095 193 M CB 0.161 32.776 32.600 0.025 0.000 1.365 193 M HN 0.246 nan 8.290 nan 0.000 0.406 194 K N 0.158 120.572 120.400 0.024 0.000 2.026 194 K HA -0.203 4.118 4.320 0.002 0.000 0.208 194 K C 1.813 178.424 176.600 0.018 0.000 1.048 194 K CA 1.638 57.928 56.287 0.004 0.000 0.929 194 K CB -0.008 32.491 32.500 -0.002 0.000 0.713 194 K HN 0.350 nan 8.250 nan 0.000 0.439 195 K N -0.140 120.278 120.400 0.029 0.000 2.097 195 K HA -0.068 4.253 4.320 0.002 0.000 0.205 195 K C 2.105 178.750 176.600 0.075 0.000 1.050 195 K CA 1.020 57.327 56.287 0.033 0.000 0.938 195 K CB -0.057 32.443 32.500 -0.001 0.000 0.718 195 K HN 0.199 nan 8.250 nan 0.000 0.442 196 A N 1.488 124.369 122.820 0.102 0.000 1.902 196 A HA -0.141 4.180 4.320 0.002 0.000 0.217 196 A C 2.083 179.762 177.584 0.159 0.000 1.181 196 A CA 1.226 53.368 52.037 0.175 0.000 0.623 196 A CB -0.555 18.594 19.000 0.249 0.000 0.818 196 A HN 0.164 nan 8.150 nan 0.000 0.443 197 I N -0.523 120.093 120.570 0.076 0.000 2.286 197 I HA -0.236 3.936 4.170 0.002 0.000 0.248 197 I C 2.851 178.969 176.117 0.000 0.000 1.115 197 I CA 1.517 62.820 61.300 0.005 0.000 1.392 197 I CB -0.236 37.730 38.000 -0.056 0.000 1.065 197 I HN 0.441 nan 8.210 nan 0.000 0.418 198 S N 0.162 115.879 115.700 0.029 0.000 2.368 198 S HA -0.281 4.191 4.470 0.002 0.000 0.225 198 S C 2.181 176.815 174.600 0.056 0.000 1.030 198 S CA 1.433 59.647 58.200 0.023 0.000 0.999 198 S CB -0.460 62.761 63.200 0.035 0.000 0.844 198 S HN 0.495 nan 8.310 nan 0.000 0.459 199 Y N 1.763 122.064 120.300 0.003 0.000 2.181 199 Y HA -0.062 4.490 4.550 0.002 0.000 0.288 199 Y C 1.958 177.872 175.900 0.024 0.000 1.146 199 Y CA 1.862 59.972 58.100 0.018 0.000 1.164 199 Y CB -0.380 38.103 38.460 0.038 0.000 0.982 199 Y HN 0.305 nan 8.280 nan 0.000 0.515 200 I N -0.286 120.361 120.570 0.128 0.000 2.226 200 I HA -0.338 3.833 4.170 0.002 0.000 0.245 200 I C 2.587 178.713 176.117 0.015 0.000 1.100 200 I CA 1.452 62.792 61.300 0.067 0.000 1.374 200 I CB -0.453 37.605 38.000 0.097 0.000 1.057 200 I HN 0.172 nan 8.210 nan 0.000 0.413 201 R N 0.661 121.145 120.500 -0.028 0.000 2.073 201 R HA -0.132 4.209 4.340 0.002 0.000 0.234 201 R C 2.399 178.699 176.300 0.000 0.000 1.134 201 R CA 1.390 57.495 56.100 0.008 0.000 0.952 201 R CB -0.292 29.963 30.300 -0.075 0.000 0.850 201 R HN 0.322 nan 8.270 nan 0.000 0.433 202 R N 0.357 120.806 120.500 -0.084 0.000 2.241 202 R HA -0.072 4.269 4.340 0.002 0.000 0.224 202 R C 2.154 178.348 176.300 -0.177 0.000 1.101 202 R CA 1.432 57.459 56.100 -0.122 0.000 0.995 202 R CB -0.087 30.124 30.300 -0.148 0.000 0.870 202 R HN 0.263 nan 8.270 nan 0.000 0.463 203 S N -0.268 115.298 115.700 -0.224 0.000 2.562 203 S HA -0.000 4.471 4.470 0.002 0.000 0.221 203 S C 0.917 175.420 174.600 -0.162 0.000 0.975 203 S CA -0.201 57.860 58.200 -0.233 0.000 0.918 203 S CB 0.002 63.038 63.200 -0.274 0.000 0.772 203 S HN 0.190 nan 8.310 nan 0.000 0.531 204 M N 3.100 122.635 119.600 -0.110 0.000 2.246 204 M HA 0.210 4.691 4.480 0.002 0.000 0.350 204 M C 0.358 176.564 176.300 -0.157 0.000 1.406 204 M CA -0.020 55.191 55.300 -0.148 0.000 1.089 204 M CB 0.755 33.303 32.600 -0.086 0.000 1.782 204 M HN 0.353 nan 8.290 nan 0.000 0.457 205 S N 3.512 119.062 115.700 -0.249 0.000 2.681 205 S HA 0.195 4.666 4.470 0.002 0.000 0.270 205 S C 0.746 175.210 174.600 -0.227 0.000 1.209 205 S CA -0.490 57.563 58.200 -0.246 0.000 0.988 205 S CB 0.540 63.498 63.200 -0.404 0.000 1.006 205 S HN 0.730 nan 8.310 nan 0.000 0.558 206 Y N 0.782 121.045 120.300 -0.062 0.000 2.403 206 Y HA 0.047 4.598 4.550 0.002 0.000 0.291 206 Y C 1.464 177.353 175.900 -0.019 0.000 1.143 206 Y CA 1.350 59.430 58.100 -0.033 0.000 1.257 206 Y CB -0.769 37.682 38.460 -0.015 0.000 0.984 206 Y HN 0.645 nan 8.280 nan 0.000 0.550 207 D N -1.143 118.824 120.400 -0.721 0.000 2.340 207 D HA -0.046 4.596 4.640 0.002 0.000 0.220 207 D C 0.209 176.410 176.300 -0.166 0.000 1.039 207 D CA 0.475 54.280 54.000 -0.325 0.000 0.866 207 D CB -0.612 39.994 40.800 -0.324 0.000 0.913 207 D HN 0.452 nan 8.370 nan 0.000 0.523 208 N N -1.098 117.430 118.700 -0.287 0.000 2.984 208 N HA -0.096 4.646 4.740 0.002 0.000 0.227 208 N C 0.701 175.891 175.510 -0.533 0.000 0.903 208 N CA 1.144 54.021 53.050 -0.288 0.000 0.995 208 N CB -1.584 36.837 38.487 -0.109 0.000 1.065 208 N HN 0.485 nan 8.380 nan 0.000 0.585 209 G N 0.005 108.182 108.800 -1.038 0.000 2.557 209 G HA2 0.596 4.557 3.960 0.002 0.000 0.292 209 G HA3 0.596 4.557 3.960 0.002 0.000 0.292 209 G C -0.286 174.109 174.900 -0.842 0.000 1.237 209 G CA -0.341 43.825 45.100 -1.556 0.000 0.978 209 G HN 0.030 nan 8.290 nan 0.000 0.498 210 L N 0.256 121.066 121.223 -0.687 0.000 2.317 210 L HA 0.691 5.033 4.340 0.002 0.000 0.281 210 L C 0.759 177.456 176.870 -0.289 0.000 1.024 210 L CA -0.648 53.973 54.840 -0.365 0.000 0.810 210 L CB 1.190 43.119 42.059 -0.218 0.000 1.240 210 L HN 0.711 nan 8.230 nan 0.000 0.427 211 A N 2.118 124.813 122.820 -0.208 0.000 2.263 211 A HA 0.510 4.831 4.320 0.002 0.000 0.318 211 A C 0.752 178.280 177.584 -0.093 0.000 1.111 211 A CA -0.342 51.614 52.037 -0.134 0.000 0.901 211 A CB 0.628 19.555 19.000 -0.122 0.000 1.280 211 A HN 0.702 nan 8.150 nan 0.000 0.503 212 Q N -0.607 119.150 119.800 -0.071 0.000 2.291 212 Q HA 0.095 4.436 4.340 0.002 0.000 0.205 212 Q C 0.715 176.740 176.000 0.042 0.000 0.970 212 Q CA 1.305 57.089 55.803 -0.032 0.000 0.876 212 Q CB 0.025 28.723 28.738 -0.066 0.000 0.935 212 Q HN 0.899 nan 8.270 nan 0.000 0.455 213 G N -1.269 107.506 108.800 -0.043 0.000 2.576 213 G HA2 0.505 4.466 3.960 0.002 0.000 0.290 213 G HA3 0.505 4.466 3.960 0.002 0.000 0.290 213 G C -1.536 173.271 174.900 -0.156 0.000 1.442 213 G CA -0.394 44.641 45.100 -0.109 0.000 0.792 213 G HN 0.129 nan 8.290 nan 0.000 0.491 214 A N -0.722 121.974 122.820 -0.207 0.000 2.565 214 A HA 0.516 4.838 4.320 0.002 0.000 0.237 214 A C 1.789 179.338 177.584 -0.059 0.000 1.053 214 A CA 1.840 53.797 52.037 -0.134 0.000 0.755 214 A CB -0.330 18.600 19.000 -0.115 0.000 0.980 214 A HN 2.860 nan 8.150 nan 0.000 0.506 215 G N 0.841 109.618 108.800 -0.039 0.000 2.304 215 G HA2 -0.199 3.762 3.960 0.002 0.000 0.252 215 G HA3 -0.199 3.762 3.960 0.002 0.000 0.252 215 G C 0.210 175.116 174.900 0.010 0.000 1.014 215 G CA 0.410 45.510 45.100 0.001 0.000 0.619 215 G HN 0.783 nan 8.290 nan 0.000 0.525 216 L N 1.295 122.510 121.223 -0.014 0.000 2.476 216 L HA 0.469 4.811 4.340 0.002 0.000 0.255 216 L C 1.067 177.928 176.870 -0.014 0.000 1.218 216 L CA -0.497 54.339 54.840 -0.008 0.000 0.819 216 L CB 0.565 42.611 42.059 -0.021 0.000 1.119 216 L HN 0.480 nan 8.230 nan 0.000 0.485 217 E N 0.307 120.510 120.200 0.005 0.000 2.344 217 E HA 0.117 4.468 4.350 0.002 0.000 0.270 217 E C -0.296 176.289 176.600 -0.026 0.000 1.021 217 E CA -0.431 55.974 56.400 0.008 0.000 0.887 217 E CB 0.693 30.423 29.700 0.051 0.000 0.997 217 E HN 0.636 nan 8.360 nan 0.000 0.429 218 S N 4.438 120.070 115.700 -0.113 0.000 2.568 218 S HA 0.023 4.494 4.470 0.002 0.000 0.282 218 S C -0.172 174.428 174.600 -0.001 0.000 1.338 218 S CA -0.384 57.675 58.200 -0.234 0.000 1.045 218 S CB 0.831 63.660 63.200 -0.617 0.000 0.873 218 S HN 0.677 nan 8.310 nan 0.000 0.516 219 H N 0.456 119.435 119.070 -0.152 0.000 2.996 219 H HA 0.355 4.913 4.556 0.002 0.000 0.368 219 H C 1.096 176.510 175.328 0.144 0.000 1.185 219 H CA -0.001 56.083 56.048 0.060 0.000 1.160 219 H CB 1.550 31.304 29.762 -0.013 0.000 1.820 219 H HN 0.724 nan 8.280 nan 0.000 0.547 220 G N 1.729 110.543 108.800 0.023 0.000 2.442 220 G HA2 -0.239 3.722 3.960 0.002 0.000 0.219 220 G HA3 -0.239 3.722 3.960 0.002 0.000 0.219 220 G C 1.439 176.516 174.900 0.296 0.000 1.141 220 G CA 0.857 46.120 45.100 0.271 0.000 0.763 220 G HN 0.650 nan 8.290 nan 0.000 0.554 221 G N 0.909 109.927 108.800 0.364 0.000 2.404 221 G HA2 -0.146 3.815 3.960 0.002 0.000 0.215 221 G HA3 -0.146 3.815 3.960 0.002 0.000 0.215 221 G C 2.215 177.089 174.900 -0.044 0.000 1.174 221 G CA 1.775 46.801 45.100 -0.124 0.000 0.780 221 G HN 0.646 nan 8.290 nan 0.000 0.537 222 S N -0.036 115.698 115.700 0.057 0.000 2.428 222 S HA -0.066 4.405 4.470 0.002 0.000 0.230 222 S C 2.201 176.796 174.600 -0.009 0.000 1.014 222 S CA 1.766 59.955 58.200 -0.018 0.000 0.957 222 S CB -0.541 62.630 63.200 -0.047 0.000 0.784 222 S HN 0.244 nan 8.310 nan 0.000 0.499 223 T N 1.992 116.552 114.554 0.010 0.000 2.777 223 T HA 0.030 4.381 4.350 0.002 0.000 0.266 223 T C 1.255 175.970 174.700 0.026 0.000 1.040 223 T CA 1.354 63.436 62.100 -0.030 0.000 1.141 223 T CB -0.520 68.327 68.868 -0.036 0.000 0.868 223 T HN 0.506 nan 8.240 nan 0.000 0.444 224 F N 1.483 121.427 119.950 -0.010 0.000 2.102 224 F HA -0.148 4.380 4.527 0.002 0.000 0.298 224 F C 2.420 178.171 175.800 -0.081 0.000 1.105 224 F CA 0.716 58.702 58.000 -0.023 0.000 1.239 224 F CB -0.875 38.158 39.000 0.055 0.000 0.991 224 F HN 0.145 nan 8.300 nan 0.000 0.474 225 C N 1.042 120.217 119.300 -0.208 0.000 2.413 225 C HA -0.122 4.339 4.460 0.002 0.000 0.276 225 C C 3.102 178.004 174.990 -0.147 0.000 1.248 225 C CA 1.323 60.172 59.018 -0.282 0.000 1.742 225 C CB -1.973 25.742 27.740 -0.042 0.000 2.017 225 C HN 0.753 nan 8.230 nan 0.000 0.481 226 G N 0.542 109.301 108.800 -0.067 0.000 2.414 226 G HA2 -0.114 3.847 3.960 0.002 0.000 0.215 226 G HA3 -0.114 3.847 3.960 0.002 0.000 0.215 226 G C 1.383 176.285 174.900 0.003 0.000 1.188 226 G CA 0.741 45.852 45.100 0.017 0.000 0.783 226 G HN 0.360 nan 8.290 nan 0.000 0.537 227 I N 2.031 122.570 120.570 -0.052 0.000 2.179 227 I HA -0.134 4.037 4.170 0.002 0.000 0.242 227 I C 3.273 179.331 176.117 -0.098 0.000 1.088 227 I CA 1.259 62.541 61.300 -0.031 0.000 1.357 227 I CB -1.366 36.608 38.000 -0.043 0.000 1.051 227 I HN 0.261 nan 8.210 nan 0.000 0.409 228 A N 0.220 122.857 122.820 -0.305 0.000 1.933 228 A HA -0.174 4.148 4.320 0.002 0.000 0.218 228 A C 2.604 180.185 177.584 -0.005 0.000 1.175 228 A CA 2.045 53.925 52.037 -0.263 0.000 0.628 228 A CB -0.740 17.815 19.000 -0.741 0.000 0.814 228 A HN 0.412 nan 8.150 nan 0.000 0.444 229 S N -0.122 115.610 115.700 0.053 0.000 2.356 229 S HA -0.116 4.355 4.470 0.002 0.000 0.223 229 S C 1.834 176.486 174.600 0.086 0.000 1.032 229 S CA 1.536 59.814 58.200 0.130 0.000 1.005 229 S CB -0.473 62.815 63.200 0.146 0.000 0.867 229 S HN 0.525 nan 8.310 nan 0.000 0.449 230 L N 0.567 121.817 121.223 0.045 0.000 2.083 230 L HA -0.163 4.178 4.340 0.002 0.000 0.209 230 L C 2.553 179.430 176.870 0.011 0.000 1.083 230 L CA 0.850 55.696 54.840 0.009 0.000 0.752 230 L CB -0.725 41.344 42.059 0.017 0.000 0.899 230 L HN 0.423 nan 8.230 nan 0.000 0.433 231 C N -0.620 118.699 119.300 0.032 0.000 2.440 231 C HA -0.120 4.341 4.460 0.002 0.000 0.278 231 C C 2.640 177.673 174.990 0.071 0.000 1.295 231 C CA 0.139 59.184 59.018 0.044 0.000 1.738 231 C CB -0.664 27.101 27.740 0.041 0.000 1.987 231 C HN 0.393 nan 8.230 nan 0.000 0.492 232 L N 0.137 121.411 121.223 0.085 0.000 2.141 232 L HA -0.021 4.321 4.340 0.002 0.000 0.209 232 L C 2.296 179.334 176.870 0.280 0.000 1.094 232 L CA 1.781 56.712 54.840 0.152 0.000 0.763 232 L CB -0.641 41.510 42.059 0.153 0.000 0.908 232 L HN 0.353 nan 8.230 nan 0.000 0.437 233 M N -1.627 117.974 119.600 0.001 0.000 2.558 233 M HA 0.196 4.678 4.480 0.002 0.000 0.255 233 M C 1.188 177.353 176.300 -0.224 0.000 1.113 233 M CA 0.719 55.769 55.300 -0.416 0.000 1.097 233 M CB -0.099 32.217 32.600 -0.473 0.000 1.426 233 M HN 0.319 nan 8.290 nan 0.000 0.488 234 G N 2.287 111.056 108.800 -0.052 0.000 2.272 234 G HA2 -0.260 3.701 3.960 0.002 0.000 0.280 234 G HA3 -0.260 3.701 3.960 0.002 0.000 0.280 234 G C 0.178 175.045 174.900 -0.056 0.000 1.067 234 G CA 0.296 45.384 45.100 -0.019 0.000 0.902 234 G HN 0.578 nan 8.290 nan 0.000 0.500 235 K N -0.671 119.689 120.400 -0.067 0.000 2.619 235 K HA 0.359 4.680 4.320 0.002 0.000 0.201 235 K C 1.857 178.423 176.600 -0.056 0.000 1.090 235 K CA -0.544 55.698 56.287 -0.076 0.000 1.063 235 K CB 0.540 32.967 32.500 -0.122 0.000 0.810 235 K HN 0.313 nan 8.250 nan 0.000 0.506 236 L N 1.616 122.834 121.223 -0.008 0.000 1.970 236 L HA -0.215 4.126 4.340 0.002 0.000 0.212 236 L C 1.894 178.796 176.870 0.053 0.000 1.071 236 L CA 1.827 56.694 54.840 0.044 0.000 0.751 236 L CB 0.024 42.129 42.059 0.078 0.000 0.889 236 L HN 0.332 nan 8.230 nan 0.000 0.432 237 E N -0.332 119.893 120.200 0.041 0.000 2.118 237 E HA -0.309 4.042 4.350 0.002 0.000 0.195 237 E C 1.879 178.488 176.600 0.015 0.000 0.992 237 E CA 1.454 57.880 56.400 0.043 0.000 0.804 237 E CB -0.184 29.535 29.700 0.031 0.000 0.741 237 E HN 0.612 nan 8.360 nan 0.000 0.458 238 E N 0.725 120.912 120.200 -0.022 0.000 2.208 238 E HA -0.093 4.259 4.350 0.002 0.000 0.193 238 E C 1.947 178.492 176.600 -0.092 0.000 0.988 238 E CA 0.581 56.952 56.400 -0.048 0.000 0.828 238 E CB 0.384 30.048 29.700 -0.060 0.000 0.763 238 E HN 0.019 nan 8.360 nan 0.000 0.478 239 V N 0.244 120.061 119.914 -0.161 0.000 2.599 239 V HA 0.048 4.169 4.120 0.002 0.000 0.245 239 V C 0.629 176.474 176.094 -0.415 0.000 1.046 239 V CA 0.852 62.945 62.300 -0.345 0.000 1.065 239 V CB -0.095 31.401 31.823 -0.544 0.000 0.703 239 V HN 0.098 nan 8.190 nan 0.000 0.464 240 F N 0.516 120.458 119.950 -0.013 0.000 2.469 240 F HA 0.492 5.020 4.527 0.002 0.000 0.332 240 F C 0.879 176.676 175.800 -0.005 0.000 1.103 240 F CA -0.763 57.230 58.000 -0.011 0.000 0.979 240 F CB 1.626 40.618 39.000 -0.013 0.000 1.137 240 F HN -0.022 nan 8.300 nan 0.000 0.463 241 S N 0.932 116.758 115.700 0.211 0.000 2.608 241 S HA 0.063 4.534 4.470 0.002 0.000 0.261 241 S C 1.098 175.757 174.600 0.098 0.000 1.314 241 S CA -0.428 57.840 58.200 0.113 0.000 0.992 241 S CB 1.173 64.422 63.200 0.082 0.000 0.935 241 S HN 0.874 nan 8.310 nan 0.000 0.564 242 E N 0.690 120.929 120.200 0.064 0.000 2.110 242 E HA -0.208 4.143 4.350 0.002 0.000 0.193 242 E C 1.963 178.585 176.600 0.038 0.000 0.988 242 E CA 1.187 57.617 56.400 0.050 0.000 0.804 242 E CB -0.171 29.552 29.700 0.038 0.000 0.745 242 E HN 0.742 nan 8.360 nan 0.000 0.458 243 K N 0.446 120.867 120.400 0.035 0.000 2.057 243 K HA -0.197 4.125 4.320 0.002 0.000 0.207 243 K C 1.960 178.566 176.600 0.010 0.000 1.049 243 K CA 1.653 57.954 56.287 0.022 0.000 0.931 243 K CB 0.027 32.541 32.500 0.023 0.000 0.714 243 K HN 0.165 nan 8.250 nan 0.000 0.440 244 E N 0.586 120.798 120.200 0.020 0.000 2.051 244 E HA -0.177 4.174 4.350 0.002 0.000 0.192 244 E C 2.102 178.636 176.600 -0.110 0.000 0.991 244 E CA 1.200 57.580 56.400 -0.033 0.000 0.799 244 E CB -0.065 29.666 29.700 0.052 0.000 0.748 244 E HN 0.272 nan 8.360 nan 0.000 0.449 245 L N 1.292 122.488 121.223 -0.045 0.000 2.131 245 L HA -0.192 4.150 4.340 0.002 0.000 0.210 245 L C 2.053 178.907 176.870 -0.027 0.000 1.092 245 L CA 0.617 55.426 54.840 -0.052 0.000 0.759 245 L CB -0.399 41.679 42.059 0.031 0.000 0.903 245 L HN 0.144 nan 8.230 nan 0.000 0.435 246 N N 0.271 118.968 118.700 -0.005 0.000 2.188 246 N HA -0.137 4.605 4.740 0.002 0.000 0.184 246 N C 1.923 177.437 175.510 0.007 0.000 1.018 246 N CA 1.151 54.206 53.050 0.009 0.000 0.858 246 N CB -0.162 38.332 38.487 0.011 0.000 0.989 246 N HN 0.335 nan 8.380 nan 0.000 0.426 247 R N 0.442 120.933 120.500 -0.015 0.000 2.075 247 R HA 0.095 4.436 4.340 0.002 0.000 0.232 247 R C 2.256 178.560 176.300 0.006 0.000 1.126 247 R CA 0.748 56.844 56.100 -0.006 0.000 0.963 247 R CB -0.266 30.015 30.300 -0.032 0.000 0.858 247 R HN 0.231 nan 8.270 nan 0.000 0.435 248 I N 1.130 121.660 120.570 -0.067 0.000 2.226 248 I HA -0.283 3.888 4.170 0.002 0.000 0.245 248 I C 2.074 178.240 176.117 0.082 0.000 1.100 248 I CA 1.450 62.713 61.300 -0.061 0.000 1.374 248 I CB -0.220 37.647 38.000 -0.221 0.000 1.057 248 I HN 0.131 nan 8.210 nan 0.000 0.413 249 K N 0.393 120.829 120.400 0.060 0.000 2.057 249 K HA -0.230 4.092 4.320 0.002 0.000 0.207 249 K C 2.247 178.919 176.600 0.119 0.000 1.049 249 K CA 1.347 57.694 56.287 0.100 0.000 0.931 249 K CB -0.226 32.323 32.500 0.082 0.000 0.714 249 K HN 0.064 nan 8.250 nan 0.000 0.440 250 R N 0.590 121.149 120.500 0.097 0.000 2.091 250 R HA -0.187 4.155 4.340 0.002 0.000 0.238 250 R C 1.852 178.218 176.300 0.109 0.000 1.136 250 R CA 1.672 57.821 56.100 0.082 0.000 0.959 250 R CB -0.787 29.551 30.300 0.062 0.000 0.856 250 R HN 0.396 nan 8.270 nan 0.000 0.437 251 W N -0.182 121.106 121.300 -0.020 0.000 2.358 251 W HA -0.218 4.443 4.660 0.002 0.000 0.303 251 W C 2.020 178.549 176.519 0.017 0.000 1.208 251 W CA 1.724 59.056 57.345 -0.021 0.000 1.274 251 W CB -0.526 28.898 29.460 -0.060 0.000 1.138 251 W HN 0.159 nan 8.180 nan 0.000 0.515 252 C N -0.254 119.242 119.300 0.327 0.000 2.453 252 C HA -0.183 4.278 4.460 0.002 0.000 0.277 252 C C 2.670 177.712 174.990 0.088 0.000 1.262 252 C CA 1.164 60.317 59.018 0.225 0.000 1.718 252 C CB -1.515 26.396 27.740 0.285 0.000 2.031 252 C HN 0.444 nan 8.230 nan 0.000 0.480 253 I N 0.530 121.160 120.570 0.100 0.000 2.756 253 I HA -0.151 4.020 4.170 0.002 0.000 0.262 253 I C 2.008 178.111 176.117 -0.022 0.000 1.225 253 I CA 1.155 62.510 61.300 0.092 0.000 1.472 253 I CB -0.068 37.989 38.000 0.095 0.000 1.094 253 I HN 0.268 nan 8.210 nan 0.000 0.454 254 M N -0.258 119.276 119.600 -0.109 0.000 2.619 254 M HA -0.013 4.468 4.480 0.002 0.000 0.251 254 M C 1.665 177.814 176.300 -0.251 0.000 1.106 254 M CA 0.820 56.011 55.300 -0.183 0.000 1.086 254 M CB -0.854 31.621 32.600 -0.210 0.000 1.465 254 M HN 0.153 nan 8.290 nan 0.000 0.506 255 R N 0.322 120.682 120.500 -0.235 0.000 2.236 255 R HA 0.043 4.384 4.340 0.002 0.000 0.208 255 R C 0.868 176.900 176.300 -0.445 0.000 1.036 255 R CA 0.193 56.156 56.100 -0.227 0.000 1.001 255 R CB -0.556 29.739 30.300 -0.007 0.000 0.896 255 R HN 0.537 nan 8.270 nan 0.000 0.464 256 Q N 1.103 120.621 119.800 -0.469 0.000 2.295 256 Q HA 0.004 4.345 4.340 0.002 0.000 0.259 256 Q C 0.164 175.814 176.000 -0.583 0.000 0.976 256 Q CA -0.023 55.277 55.803 -0.838 0.000 0.923 256 Q CB 0.910 29.109 28.738 -0.898 0.000 1.185 256 Q HN -0.025 nan 8.270 nan 0.000 0.410 257 Q N 2.694 122.146 119.800 -0.580 0.000 2.462 257 Q HA 0.094 4.436 4.340 0.002 0.000 0.224 257 Q C 0.243 176.060 176.000 -0.306 0.000 0.911 257 Q CA 1.421 56.980 55.803 -0.405 0.000 0.925 257 Q CB 0.560 29.055 28.738 -0.404 0.000 1.063 257 Q HN 0.861 nan 8.270 nan 0.000 0.572 258 N N -1.177 117.320 118.700 -0.338 0.000 2.539 258 N HA 0.065 4.807 4.740 0.002 0.000 0.326 258 N C 0.778 176.148 175.510 -0.233 0.000 0.622 258 N CA 0.451 53.379 53.050 -0.204 0.000 1.237 258 N CB -0.249 38.175 38.487 -0.104 0.000 1.806 258 N HN 0.099 nan 8.380 nan 0.000 1.552 259 G N -1.004 107.594 108.800 -0.338 0.000 2.641 259 G HA2 0.575 4.536 3.960 0.002 0.000 0.239 259 G HA3 0.575 4.536 3.960 0.002 0.000 0.239 259 G C -1.440 173.253 174.900 -0.345 0.000 1.402 259 G CA -0.318 44.637 45.100 -0.242 0.000 1.046 259 G HN 0.122 nan 8.290 nan 0.000 0.565 260 Y N -0.646 119.583 120.300 -0.118 0.000 2.485 260 Y HA 0.450 5.002 4.550 0.002 0.000 0.345 260 Y C 0.611 176.516 175.900 0.010 0.000 0.998 260 Y CA -0.855 57.203 58.100 -0.069 0.000 1.059 260 Y CB 1.793 40.297 38.460 0.074 0.000 1.234 260 Y HN 0.723 nan 8.280 nan 0.000 0.461 261 H N -1.483 117.578 119.070 -0.015 0.000 2.615 261 H HA 0.634 5.191 4.556 0.002 0.000 0.346 261 H C 0.389 175.407 175.328 -0.517 0.000 1.200 261 H CA -0.924 55.004 56.048 -0.200 0.000 1.264 261 H CB 2.025 31.675 29.762 -0.187 0.000 1.699 261 H HN 0.819 nan 8.280 nan 0.000 0.567 262 G N 0.122 108.393 108.800 -0.882 0.000 2.838 262 G HA2 0.138 4.099 3.960 0.002 0.000 0.210 262 G HA3 0.138 4.099 3.960 0.002 0.000 0.210 262 G C 0.367 174.849 174.900 -0.696 0.000 1.153 262 G CA -0.239 44.134 45.100 -1.212 0.000 0.778 262 G HN 0.545 nan 8.290 nan 0.000 0.539 263 R N -0.722 119.365 120.500 -0.690 0.000 2.680 263 R HA 0.317 4.659 4.340 0.002 0.000 0.269 263 R C -3.138 172.657 176.300 -0.841 0.000 1.026 263 R CA -1.817 53.986 56.100 -0.495 0.000 0.889 263 R CB 1.892 32.053 30.300 -0.231 0.000 1.241 263 R HN -0.147 nan 8.270 nan 0.000 0.463 264 P HA -0.052 nan 4.420 nan 0.000 0.265 264 P C -0.515 176.620 177.300 -0.275 0.000 1.187 264 P CA 0.404 63.285 63.100 -0.364 0.000 0.766 264 P CB 0.337 31.956 31.700 -0.135 0.000 0.820 265 N N -0.709 117.909 118.700 -0.137 0.000 2.741 265 N HA -0.167 4.575 4.740 0.002 0.000 0.251 265 N C -0.344 175.124 175.510 -0.070 0.000 1.112 265 N CA 1.282 54.298 53.050 -0.056 0.000 0.750 265 N CB -0.745 37.720 38.487 -0.038 0.000 1.119 265 N HN 0.491 nan 8.380 nan 0.000 0.561 266 K N 0.612 120.923 120.400 -0.149 0.000 2.208 266 K HA 0.479 4.801 4.320 0.002 0.000 0.247 266 K C -2.190 174.446 176.600 0.061 0.000 0.953 266 K CA -1.436 54.806 56.287 -0.075 0.000 0.837 266 K CB 1.733 34.130 32.500 -0.170 0.000 1.131 266 K HN -0.080 nan 8.250 nan 0.000 0.431 267 P HA 0.010 nan 4.420 nan 0.000 0.271 267 P C 0.159 177.573 177.300 0.189 0.000 1.218 267 P CA -0.444 62.708 63.100 0.087 0.000 0.780 267 P CB 0.495 32.197 31.700 0.003 0.000 0.901 268 V N -0.861 119.105 119.914 0.086 0.000 2.999 268 V HA 0.339 4.461 4.120 0.002 0.000 0.307 268 V C 0.066 176.367 176.094 0.346 0.000 1.084 268 V CA 0.060 62.397 62.300 0.061 0.000 1.155 268 V CB 0.409 32.017 31.823 -0.359 0.000 0.975 268 V HN 0.616 nan 8.190 nan 0.000 0.490 269 D N 1.600 122.244 120.400 0.408 0.000 2.970 269 D HA 0.311 4.953 4.640 0.002 0.000 0.230 269 D C 0.795 177.417 176.300 0.537 0.000 1.276 269 D CA -0.018 54.308 54.000 0.544 0.000 0.910 269 D CB 2.231 43.394 40.800 0.605 0.000 1.590 269 D HN 0.649 nan 8.370 nan 0.000 0.551 270 T N 1.907 116.796 114.554 0.558 0.000 2.649 270 T HA -0.233 4.119 4.350 0.002 0.000 0.268 270 T C 2.022 176.865 174.700 0.238 0.000 1.036 270 T CA 2.345 64.710 62.100 0.441 0.000 1.157 270 T CB -0.624 68.429 68.868 0.307 0.000 0.861 270 T HN 0.787 nan 8.240 nan 0.000 0.445 271 C N 0.272 119.694 119.300 0.203 0.000 2.409 271 C HA -0.049 4.413 4.460 0.002 0.000 0.284 271 C C 2.195 176.944 174.990 -0.401 0.000 1.354 271 C CA -0.204 58.694 59.018 -0.201 0.000 1.787 271 C CB -2.133 25.389 27.740 -0.364 0.000 1.900 271 C HN 0.505 nan 8.230 nan 0.000 0.520 272 Y N 1.788 122.187 120.300 0.165 0.000 2.571 272 Y HA 0.016 4.568 4.550 0.002 0.000 0.294 272 Y C 2.820 178.679 175.900 -0.069 0.000 1.141 272 Y CA 1.328 59.527 58.100 0.166 0.000 1.308 272 Y CB -0.530 38.072 38.460 0.237 0.000 1.002 272 Y HN 0.332 nan 8.280 nan 0.000 0.551 273 S N -0.433 115.275 115.700 0.013 0.000 2.442 273 S HA -0.161 4.311 4.470 0.002 0.000 0.236 273 S C 1.649 176.056 174.600 -0.322 0.000 1.007 273 S CA 1.146 59.260 58.200 -0.142 0.000 0.965 273 S CB -0.351 62.868 63.200 0.032 0.000 0.773 273 S HN 0.552 nan 8.310 nan 0.000 0.504 274 F N 0.107 119.774 119.950 -0.472 0.000 2.315 274 F HA 0.193 4.722 4.527 0.002 0.000 0.284 274 F C 1.584 177.036 175.800 -0.580 0.000 1.049 274 F CA 0.122 57.770 58.000 -0.587 0.000 1.323 274 F CB -0.679 37.916 39.000 -0.675 0.000 1.113 274 F HN 0.162 nan 8.300 nan 0.000 0.544 275 W N 0.477 121.392 121.300 -0.643 0.000 2.302 275 W HA -0.254 4.407 4.660 0.002 0.000 0.320 275 W C 2.333 178.630 176.519 -0.371 0.000 1.241 275 W CA 1.665 58.617 57.345 -0.655 0.000 1.264 275 W CB -0.975 28.255 29.460 -0.383 0.000 1.154 275 W HN -0.147 nan 8.180 nan 0.000 0.483 276 V N 0.165 120.080 119.914 0.001 0.000 2.379 276 V HA -0.073 4.048 4.120 0.002 0.000 0.243 276 V C 2.391 178.335 176.094 -0.249 0.000 1.035 276 V CA 1.905 64.191 62.300 -0.025 0.000 1.035 276 V CB -1.562 30.277 31.823 0.027 0.000 0.673 276 V HN 0.373 nan 8.190 nan 0.000 0.457 277 G N 0.146 108.617 108.800 -0.549 0.000 2.469 277 G HA2 -0.267 3.694 3.960 0.002 0.000 0.219 277 G HA3 -0.267 3.694 3.960 0.002 0.000 0.219 277 G C 1.739 176.241 174.900 -0.662 0.000 1.150 277 G CA 1.217 45.935 45.100 -0.637 0.000 0.763 277 G HN 0.601 nan 8.290 nan 0.000 0.561 278 A N 0.012 122.409 122.820 -0.705 0.000 1.969 278 A HA 0.033 4.354 4.320 0.002 0.000 0.218 278 A C 2.525 179.999 177.584 -0.184 0.000 1.169 278 A CA 2.347 54.041 52.037 -0.572 0.000 0.635 278 A CB -0.738 17.627 19.000 -1.058 0.000 0.810 278 A HN 0.308 nan 8.150 nan 0.000 0.445 279 T N 0.457 114.977 114.554 -0.056 0.000 2.777 279 T HA -0.055 4.296 4.350 0.002 0.000 0.266 279 T C 1.800 176.525 174.700 0.042 0.000 1.040 279 T CA 1.382 63.516 62.100 0.056 0.000 1.141 279 T CB -0.358 68.589 68.868 0.130 0.000 0.868 279 T HN 0.365 nan 8.240 nan 0.000 0.444 280 L N 0.660 121.913 121.223 0.051 0.000 2.083 280 L HA -0.100 4.241 4.340 0.002 0.000 0.209 280 L C 2.647 179.600 176.870 0.139 0.000 1.083 280 L CA 1.067 55.998 54.840 0.151 0.000 0.752 280 L CB -0.403 41.841 42.059 0.308 0.000 0.899 280 L HN 0.130 nan 8.230 nan 0.000 0.433 281 K N 0.835 121.247 120.400 0.021 0.000 2.057 281 K HA -0.132 4.190 4.320 0.002 0.000 0.207 281 K C 1.915 178.528 176.600 0.021 0.000 1.049 281 K CA 1.570 57.863 56.287 0.010 0.000 0.931 281 K CB -0.432 31.965 32.500 -0.173 0.000 0.714 281 K HN 0.194 nan 8.250 nan 0.000 0.440 282 L N 0.097 121.324 121.223 0.007 0.000 2.201 282 L HA -0.053 4.288 4.340 0.002 0.000 0.212 282 L C 1.728 178.625 176.870 0.044 0.000 1.105 282 L CA 0.732 55.584 54.840 0.020 0.000 0.775 282 L CB -0.193 41.874 42.059 0.014 0.000 0.913 282 L HN 0.120 nan 8.230 nan 0.000 0.440 283 L N -0.566 120.695 121.223 0.064 0.000 2.611 283 L HA 0.044 4.386 4.340 0.002 0.000 0.229 283 L C 0.541 177.469 176.870 0.096 0.000 1.137 283 L CA 0.042 54.929 54.840 0.079 0.000 0.901 283 L CB -0.192 41.919 42.059 0.087 0.000 1.098 283 L HN 0.182 nan 8.230 nan 0.000 0.456 284 K N 0.651 121.105 120.400 0.090 0.000 3.071 284 K HA -0.200 4.121 4.320 0.002 0.000 0.265 284 K C 0.609 177.271 176.600 0.102 0.000 1.060 284 K CA 0.994 57.332 56.287 0.085 0.000 0.767 284 K CB -1.522 31.021 32.500 0.072 0.000 1.241 284 K HN 0.611 nan 8.250 nan 0.000 0.486 285 I N -4.721 115.937 120.570 0.148 0.000 4.160 285 I HA 0.170 4.341 4.170 0.002 0.000 0.325 285 I C 1.248 177.462 176.117 0.162 0.000 1.455 285 I CA -0.673 60.743 61.300 0.192 0.000 1.142 285 I CB 0.082 38.282 38.000 0.335 0.000 1.262 285 I HN -0.011 nan 8.210 nan 0.000 0.483 286 F N 3.519 123.490 119.950 0.035 0.000 2.216 286 F HA -0.192 4.337 4.527 0.002 0.000 0.300 286 F C 2.543 178.425 175.800 0.138 0.000 1.085 286 F CA 2.387 60.442 58.000 0.091 0.000 1.326 286 F CB -0.095 38.936 39.000 0.052 0.000 1.027 286 F HN 0.370 nan 8.300 nan 0.000 0.497 287 Q N -1.392 118.332 119.800 -0.126 0.000 2.368 287 Q HA -0.247 4.094 4.340 0.002 0.000 0.210 287 Q C 1.124 176.834 176.000 -0.484 0.000 0.982 287 Q CA 1.896 57.485 55.803 -0.356 0.000 0.884 287 Q CB -1.053 27.383 28.738 -0.502 0.000 0.933 287 Q HN 0.614 nan 8.270 nan 0.000 0.460 288 Y N 2.079 122.324 120.300 -0.091 0.000 2.468 288 Y HA 0.125 4.676 4.550 0.002 0.000 0.268 288 Y C 1.166 177.005 175.900 -0.101 0.000 1.177 288 Y CA -0.111 57.931 58.100 -0.097 0.000 1.265 288 Y CB 0.505 38.940 38.460 -0.041 0.000 1.103 288 Y HN 0.168 nan 8.280 nan 0.000 0.522 289 T N -1.895 112.641 114.554 -0.029 0.000 2.824 289 T HA 0.079 4.430 4.350 0.002 0.000 0.277 289 T C 0.056 174.759 174.700 0.005 0.000 0.975 289 T CA -0.969 61.125 62.100 -0.009 0.000 0.966 289 T CB 1.199 70.036 68.868 -0.052 0.000 1.054 289 T HN 0.099 nan 8.240 nan 0.000 0.533 290 N N 0.513 119.235 118.700 0.038 0.000 2.437 290 N HA 0.159 4.901 4.740 0.002 0.000 0.243 290 N C 0.361 175.997 175.510 0.210 0.000 1.041 290 N CA -0.521 52.564 53.050 0.058 0.000 0.940 290 N CB -0.063 38.422 38.487 -0.003 0.000 1.133 290 N HN 0.711 nan 8.380 nan 0.000 0.506 291 F N 1.423 121.318 119.950 -0.092 0.000 2.113 291 F HA -0.146 4.382 4.527 0.002 0.000 0.297 291 F C 2.362 178.167 175.800 0.009 0.000 1.103 291 F CA 0.604 58.577 58.000 -0.044 0.000 1.248 291 F CB 0.213 39.182 39.000 -0.050 0.000 0.999 291 F HN 0.565 nan 8.300 nan 0.000 0.475 292 E N 1.354 121.677 120.200 0.205 0.000 2.058 292 E HA -0.261 4.090 4.350 0.002 0.000 0.194 292 E C 1.956 178.615 176.600 0.099 0.000 0.997 292 E CA 1.534 58.008 56.400 0.124 0.000 0.801 292 E CB -0.103 29.646 29.700 0.081 0.000 0.746 292 E HN 0.387 nan 8.360 nan 0.000 0.450 293 K N 0.206 120.653 120.400 0.078 0.000 2.148 293 K HA -0.142 4.180 4.320 0.002 0.000 0.204 293 K C 2.104 178.764 176.600 0.101 0.000 1.050 293 K CA 1.223 57.548 56.287 0.064 0.000 0.942 293 K CB -0.184 32.322 32.500 0.010 0.000 0.724 293 K HN 0.079 nan 8.250 nan 0.000 0.446 294 N N 1.624 120.389 118.700 0.109 0.000 2.080 294 N HA -0.173 4.568 4.740 0.002 0.000 0.189 294 N C 1.727 177.342 175.510 0.176 0.000 1.036 294 N CA 1.345 54.500 53.050 0.174 0.000 0.846 294 N CB -0.020 38.609 38.487 0.238 0.000 1.015 294 N HN 0.046 nan 8.380 nan 0.000 0.423 295 R N 0.037 120.604 120.500 0.112 0.000 2.091 295 R HA -0.070 4.272 4.340 0.002 0.000 0.238 295 R C 1.451 177.813 176.300 0.103 0.000 1.136 295 R CA 1.608 57.755 56.100 0.079 0.000 0.959 295 R CB -0.241 30.094 30.300 0.059 0.000 0.856 295 R HN 0.271 nan 8.270 nan 0.000 0.437 296 N N -0.148 118.620 118.700 0.113 0.000 2.104 296 N HA -0.217 4.525 4.740 0.002 0.000 0.190 296 N C 1.426 177.005 175.510 0.114 0.000 1.024 296 N CA 1.357 54.470 53.050 0.105 0.000 0.853 296 N CB -0.581 37.964 38.487 0.096 0.000 1.008 296 N HN 0.322 nan 8.380 nan 0.000 0.424 297 Y N 1.526 121.870 120.300 0.074 0.000 2.114 297 Y HA -0.058 4.494 4.550 0.002 0.000 0.284 297 Y C 2.168 178.142 175.900 0.124 0.000 1.143 297 Y CA 1.292 59.447 58.100 0.090 0.000 1.135 297 Y CB -0.461 38.049 38.460 0.084 0.000 0.980 297 Y HN -0.027 nan 8.280 nan 0.000 0.499 298 I N -0.032 120.575 120.570 0.062 0.000 2.118 298 I HA -0.389 3.782 4.170 0.002 0.000 0.241 298 I C 2.354 178.519 176.117 0.080 0.000 1.070 298 I CA 1.763 63.062 61.300 -0.001 0.000 1.327 298 I CB -0.609 37.378 38.000 -0.021 0.000 1.034 298 I HN 0.276 nan 8.210 nan 0.000 0.405 299 L N 0.496 121.800 121.223 0.135 0.000 2.191 299 L HA -0.172 4.170 4.340 0.002 0.000 0.212 299 L C 2.667 179.588 176.870 0.085 0.000 1.103 299 L CA 1.474 56.446 54.840 0.220 0.000 0.769 299 L CB -0.657 41.508 42.059 0.176 0.000 0.908 299 L HN 0.400 nan 8.230 nan 0.000 0.438 300 S N -1.490 114.188 115.700 -0.037 0.000 2.507 300 S HA -0.111 4.361 4.470 0.002 0.000 0.235 300 S C 1.658 176.198 174.600 -0.100 0.000 0.988 300 S CA 1.054 59.205 58.200 -0.082 0.000 0.944 300 S CB -0.599 62.529 63.200 -0.120 0.000 0.762 300 S HN 0.560 nan 8.310 nan 0.000 0.526 301 T N -1.880 112.625 114.554 -0.083 0.000 3.092 301 T HA 0.259 4.610 4.350 0.002 0.000 0.258 301 T C 0.307 175.023 174.700 0.027 0.000 1.031 301 T CA -0.515 61.577 62.100 -0.014 0.000 0.925 301 T CB -0.223 68.643 68.868 -0.003 0.000 1.036 301 T HN 0.475 nan 8.240 nan 0.000 0.544 302 Q N 1.777 121.549 119.800 -0.047 0.000 2.304 302 Q HA 0.111 4.452 4.340 0.002 0.000 0.260 302 Q C -0.837 174.992 176.000 -0.285 0.000 0.965 302 Q CA -0.348 55.210 55.803 -0.410 0.000 0.898 302 Q CB 0.552 29.076 28.738 -0.356 0.000 1.196 302 Q HN 0.250 nan 8.270 nan 0.000 0.402 303 D N 3.839 124.033 120.400 -0.343 0.000 2.411 303 D HA 0.084 4.725 4.640 0.002 0.000 0.225 303 D C 0.304 176.454 176.300 -0.251 0.000 1.156 303 D CA -0.045 53.823 54.000 -0.219 0.000 0.874 303 D CB 0.626 41.318 40.800 -0.181 0.000 1.034 303 D HN 0.612 nan 8.370 nan 0.000 0.502 304 R N 2.696 123.081 120.500 -0.192 0.000 2.285 304 R HA -0.034 4.307 4.340 0.002 0.000 0.213 304 R C 1.548 177.747 176.300 -0.168 0.000 1.068 304 R CA 0.158 56.141 56.100 -0.194 0.000 1.004 304 R CB 0.440 30.659 30.300 -0.135 0.000 0.873 304 R HN 0.433 nan 8.270 nan 0.000 0.467 305 L N 0.423 121.567 121.223 -0.132 0.000 2.265 305 L HA 0.022 4.363 4.340 0.002 0.000 0.195 305 L C 2.002 178.812 176.870 -0.099 0.000 1.083 305 L CA 1.357 56.137 54.840 -0.100 0.000 0.798 305 L CB -0.304 41.717 42.059 -0.063 0.000 0.989 305 L HN 0.094 nan 8.230 nan 0.000 0.472 306 V N -1.225 118.639 119.914 -0.083 0.000 3.590 306 V HA 0.468 4.589 4.120 0.002 0.000 0.265 306 V C 0.852 176.941 176.094 -0.009 0.000 1.239 306 V CA 0.636 62.922 62.300 -0.023 0.000 1.117 306 V CB -0.263 31.584 31.823 0.040 0.000 0.818 306 V HN 0.623 nan 8.190 nan 0.000 0.451 307 G N -0.750 107.931 108.800 -0.197 0.000 2.710 307 G HA2 0.403 4.365 3.960 0.002 0.000 0.668 307 G HA3 0.403 4.365 3.960 0.002 0.000 0.668 307 G C 0.549 175.047 174.900 -0.670 0.000 1.320 307 G CA -0.290 44.586 45.100 -0.372 0.000 0.860 307 G HN 2.441 nan 8.290 nan 0.000 0.538 308 G N -1.922 106.438 108.800 -0.734 0.000 2.828 308 G HA2 0.371 4.332 3.960 0.002 0.000 0.463 308 G HA3 0.371 4.332 3.960 0.002 0.000 0.463 308 G C -0.416 174.001 174.900 -0.804 0.000 1.394 308 G CA 0.317 44.671 45.100 -1.243 0.000 0.862 308 G HN 1.835 nan 8.290 nan 0.000 0.540 309 F N -0.073 119.621 119.950 -0.427 0.000 2.603 309 F HA 0.832 5.361 4.527 0.002 0.000 0.317 309 F C 0.812 176.551 175.800 -0.103 0.000 1.066 309 F CA 0.031 57.915 58.000 -0.193 0.000 0.941 309 F CB 2.092 41.009 39.000 -0.138 0.000 1.291 309 F HN 1.011 nan 8.300 nan 0.000 0.472 310 A N 1.085 123.968 122.820 0.105 0.000 2.309 310 A HA 0.549 4.871 4.320 0.002 0.000 0.317 310 A C 0.802 178.260 177.584 -0.210 0.000 1.134 310 A CA -0.557 51.449 52.037 -0.051 0.000 0.866 310 A CB 1.324 20.310 19.000 -0.023 0.000 1.329 310 A HN 0.900 nan 8.150 nan 0.000 0.477 311 K N -1.045 118.981 120.400 -0.623 0.000 2.155 311 K HA -0.002 4.319 4.320 0.002 0.000 0.203 311 K C -0.449 176.098 176.600 -0.089 0.000 1.052 311 K CA 0.657 56.570 56.287 -0.623 0.000 0.948 311 K CB 0.036 31.928 32.500 -1.014 0.000 0.728 311 K HN 0.562 nan 8.250 nan 0.000 0.448 312 W N 1.140 122.454 121.300 0.024 0.000 2.902 312 W HA 0.422 5.083 4.660 0.002 0.000 0.346 312 W C -2.741 173.784 176.519 0.010 0.000 1.139 312 W CA -3.256 54.147 57.345 0.097 0.000 1.139 312 W CB 0.182 29.698 29.460 0.095 0.000 1.439 312 W HN -0.230 nan 8.180 nan 0.000 0.558 313 P HA 0.044 nan 4.420 nan 0.000 0.272 313 P C -0.484 176.881 177.300 0.108 0.000 1.223 313 P CA 0.603 63.756 63.100 0.089 0.000 0.784 313 P CB 0.473 32.200 31.700 0.046 0.000 0.923 314 D N -1.117 119.320 120.400 0.062 0.000 2.697 314 D HA -0.143 4.498 4.640 0.002 0.000 0.238 314 D C -0.314 176.026 176.300 0.068 0.000 1.152 314 D CA 1.227 55.261 54.000 0.057 0.000 0.666 314 D CB -1.550 39.276 40.800 0.044 0.000 1.037 314 D HN 0.292 nan 8.370 nan 0.000 0.423 315 S N -1.197 114.547 115.700 0.073 0.000 2.556 315 S HA 0.404 4.875 4.470 0.002 0.000 0.271 315 S C -0.732 173.920 174.600 0.088 0.000 1.135 315 S CA -0.719 57.506 58.200 0.041 0.000 0.858 315 S CB 1.188 64.453 63.200 0.108 0.000 1.114 315 S HN 0.251 nan 8.310 nan 0.000 0.468 316 H N 2.848 121.948 119.070 0.049 0.000 2.764 316 H HA 0.284 4.841 4.556 0.002 0.000 0.341 316 H C -1.862 173.497 175.328 0.051 0.000 1.072 316 H CA -1.351 54.731 56.048 0.057 0.000 1.444 316 H CB 0.607 30.423 29.762 0.088 0.000 1.458 316 H HN 0.441 nan 8.280 nan 0.000 0.572 317 P HA 0.066 nan 4.420 nan 0.000 0.276 317 P C -1.026 176.421 177.300 0.244 0.000 1.252 317 P CA -0.372 62.786 63.100 0.097 0.000 0.802 317 P CB 1.436 33.074 31.700 -0.104 0.000 1.035 318 D N -1.740 118.825 120.400 0.276 0.000 2.615 318 D HA 0.447 5.088 4.640 0.002 0.000 0.267 318 D C 0.766 177.315 176.300 0.414 0.000 1.236 318 D CA -0.957 53.280 54.000 0.394 0.000 0.839 318 D CB 0.346 41.354 40.800 0.348 0.000 1.380 318 D HN 0.172 nan 8.370 nan 0.000 0.433 319 A N 0.268 123.339 122.820 0.417 0.000 1.940 319 A HA -0.119 4.202 4.320 0.002 0.000 0.219 319 A C 1.977 179.599 177.584 0.063 0.000 1.176 319 A CA 1.550 53.840 52.037 0.421 0.000 0.631 319 A CB -0.958 18.286 19.000 0.406 0.000 0.814 319 A HN 0.636 nan 8.150 nan 0.000 0.446 320 L N -1.454 119.680 121.223 -0.149 0.000 2.017 320 L HA -0.198 4.143 4.340 0.002 0.000 0.208 320 L C 2.462 179.087 176.870 -0.409 0.000 1.073 320 L CA 2.192 56.614 54.840 -0.697 0.000 0.745 320 L CB -0.371 41.484 42.059 -0.340 0.000 0.894 320 L HN 0.549 nan 8.230 nan 0.000 0.432 321 H N -0.696 118.361 119.070 -0.021 0.000 2.462 321 H HA 0.032 4.589 4.556 0.002 0.000 0.292 321 H C 2.177 177.492 175.328 -0.022 0.000 1.049 321 H CA 1.030 57.085 56.048 0.010 0.000 1.334 321 H CB -0.105 29.687 29.762 0.049 0.000 1.404 321 H HN 0.516 nan 8.280 nan 0.000 0.544 322 A N 0.409 123.293 122.820 0.107 0.000 1.877 322 A HA -0.232 4.089 4.320 0.002 0.000 0.216 322 A C 2.080 179.730 177.584 0.109 0.000 1.186 322 A CA 1.600 53.702 52.037 0.107 0.000 0.620 322 A CB -0.934 17.999 19.000 -0.111 0.000 0.822 322 A HN 0.528 nan 8.150 nan 0.000 0.443 323 Y N -0.576 119.677 120.300 -0.078 0.000 2.133 323 Y HA -0.170 4.381 4.550 0.002 0.000 0.287 323 Y C 1.949 177.503 175.900 -0.577 0.000 1.134 323 Y CA 1.752 59.652 58.100 -0.333 0.000 1.133 323 Y CB -0.589 37.451 38.460 -0.700 0.000 0.987 323 Y HN 0.280 nan 8.280 nan 0.000 0.502 324 F N -0.289 119.302 119.950 -0.599 0.000 2.293 324 F HA -0.025 4.503 4.527 0.002 0.000 0.300 324 F C 2.534 177.970 175.800 -0.608 0.000 1.086 324 F CA 0.816 58.354 58.000 -0.769 0.000 1.375 324 F CB -0.641 37.931 39.000 -0.713 0.000 1.045 324 F HN 0.157 nan 8.300 nan 0.000 0.516 325 G N 0.311 108.865 108.800 -0.411 0.000 2.402 325 G HA2 -0.185 3.777 3.960 0.002 0.000 0.216 325 G HA3 -0.185 3.777 3.960 0.002 0.000 0.216 325 G C 1.682 176.137 174.900 -0.740 0.000 1.162 325 G CA 0.624 45.331 45.100 -0.656 0.000 0.777 325 G HN 0.328 nan 8.290 nan 0.000 0.539 326 I N 0.264 120.446 120.570 -0.647 0.000 2.315 326 I HA -0.161 4.010 4.170 0.002 0.000 0.248 326 I C 2.634 178.473 176.117 -0.462 0.000 1.117 326 I CA 0.485 61.508 61.300 -0.460 0.000 1.404 326 I CB -0.123 37.770 38.000 -0.178 0.000 1.071 326 I HN 0.182 nan 8.210 nan 0.000 0.419 327 C N 0.689 119.633 119.300 -0.593 0.000 2.435 327 C HA -0.050 4.412 4.460 0.002 0.000 0.279 327 C C 2.907 177.735 174.990 -0.271 0.000 1.321 327 C CA 0.926 59.639 59.018 -0.509 0.000 1.752 327 C CB -1.618 25.601 27.740 -0.868 0.000 1.959 327 C HN 0.660 nan 8.230 nan 0.000 0.500 328 G N 0.275 108.910 108.800 -0.276 0.000 2.402 328 G HA2 -0.140 3.822 3.960 0.002 0.000 0.216 328 G HA3 -0.140 3.822 3.960 0.002 0.000 0.216 328 G C 1.408 176.162 174.900 -0.244 0.000 1.162 328 G CA 0.555 45.523 45.100 -0.219 0.000 0.777 328 G HN 0.344 nan 8.290 nan 0.000 0.539 329 L N 1.227 122.269 121.223 -0.301 0.000 2.083 329 L HA 0.002 4.344 4.340 0.002 0.000 0.209 329 L C 3.057 179.769 176.870 -0.263 0.000 1.083 329 L CA 1.831 56.492 54.840 -0.297 0.000 0.752 329 L CB -0.955 40.849 42.059 -0.424 0.000 0.899 329 L HN 0.329 nan 8.230 nan 0.000 0.433 330 S N -0.866 114.678 115.700 -0.260 0.000 2.370 330 S HA -0.166 4.305 4.470 0.002 0.000 0.226 330 S C 2.015 176.523 174.600 -0.154 0.000 1.033 330 S CA 0.858 58.943 58.200 -0.192 0.000 1.011 330 S CB -0.166 62.926 63.200 -0.181 0.000 0.852 330 S HN 0.251 nan 8.310 nan 0.000 0.457 331 L N 1.208 122.309 121.223 -0.205 0.000 2.187 331 L HA 0.093 4.435 4.340 0.002 0.000 0.213 331 L C 2.105 178.924 176.870 -0.086 0.000 1.100 331 L CA 1.699 56.384 54.840 -0.258 0.000 0.765 331 L CB -0.899 40.776 42.059 -0.641 0.000 0.904 331 L HN 0.488 nan 8.230 nan 0.000 0.437 332 M N -1.460 118.053 119.600 -0.145 0.000 2.431 332 M HA 0.082 4.564 4.480 0.002 0.000 0.237 332 M C -0.197 176.105 176.300 0.003 0.000 1.130 332 M CA 0.051 55.210 55.300 -0.235 0.000 1.002 332 M CB 0.122 32.360 32.600 -0.604 0.000 1.524 332 M HN 0.083 nan 8.290 nan 0.000 0.482 333 E N 1.599 121.791 120.200 -0.015 0.000 2.260 333 E HA -0.178 4.173 4.350 0.002 0.000 0.204 333 E C -0.125 176.462 176.600 -0.023 0.000 1.319 333 E CA 0.158 56.559 56.400 0.002 0.000 0.679 333 E CB -0.935 28.803 29.700 0.064 0.000 1.158 333 E HN 0.407 nan 8.360 nan 0.000 0.376 334 E N 0.598 120.741 120.200 -0.095 0.000 2.398 334 E HA 0.165 4.517 4.350 0.002 0.000 0.263 334 E C -0.445 176.102 176.600 -0.088 0.000 1.046 334 E CA -0.014 56.308 56.400 -0.131 0.000 0.908 334 E CB 1.049 30.570 29.700 -0.299 0.000 0.963 334 E HN 0.131 nan 8.360 nan 0.000 0.431 335 S N 2.626 118.301 115.700 -0.042 0.000 2.505 335 S HA 0.460 4.932 4.470 0.002 0.000 0.276 335 S C 0.739 175.360 174.600 0.036 0.000 1.274 335 S CA 0.651 58.857 58.200 0.009 0.000 1.053 335 S CB -0.135 63.089 63.200 0.040 0.000 0.919 335 S HN 0.910 nan 8.310 nan 0.000 0.490 336 G N 4.024 112.852 108.800 0.047 0.000 2.176 336 G HA2 -0.179 3.783 3.960 0.002 0.000 0.232 336 G HA3 -0.179 3.783 3.960 0.002 0.000 0.232 336 G C -0.043 174.912 174.900 0.092 0.000 0.986 336 G CA 0.049 45.207 45.100 0.096 0.000 0.643 336 G HN 0.686 nan 8.290 nan 0.000 0.522 337 I N 0.897 121.471 120.570 0.007 0.000 2.465 337 I HA 0.369 4.541 4.170 0.002 0.000 0.291 337 I C 1.010 177.112 176.117 -0.026 0.000 1.014 337 I CA -1.192 60.094 61.300 -0.023 0.000 1.093 337 I CB 1.749 39.654 38.000 -0.157 0.000 1.267 337 I HN 0.097 nan 8.210 nan 0.000 0.431 338 C N 3.993 123.286 119.300 -0.011 0.000 2.700 338 C HA 0.095 4.557 4.460 0.002 0.000 0.397 338 C C 0.874 175.850 174.990 -0.023 0.000 1.301 338 C CA -0.435 58.578 59.018 -0.008 0.000 2.219 338 C CB -0.014 27.728 27.740 0.002 0.000 2.699 338 C HN 0.698 nan 8.230 nan 0.000 0.669 339 K N 0.972 121.369 120.400 -0.005 0.000 2.298 339 K HA 0.429 4.751 4.320 0.002 0.000 0.280 339 K C -0.453 176.155 176.600 0.014 0.000 1.032 339 K CA -0.208 56.077 56.287 -0.003 0.000 0.958 339 K CB 0.635 33.141 32.500 0.011 0.000 0.978 339 K HN 0.553 nan 8.250 nan 0.000 0.472 340 V N 4.206 124.127 119.914 0.012 0.000 2.713 340 V HA 0.167 4.288 4.120 0.002 0.000 0.307 340 V C -0.702 175.471 176.094 0.131 0.000 1.052 340 V CA -0.632 61.706 62.300 0.064 0.000 0.967 340 V CB 1.477 33.319 31.823 0.033 0.000 1.019 340 V HN 0.864 nan 8.190 nan 0.000 0.459 341 H N 6.801 125.932 119.070 0.102 0.000 2.690 341 H HA 0.401 4.958 4.556 0.002 0.000 0.289 341 H C -2.111 173.337 175.328 0.200 0.000 1.089 341 H CA -1.964 54.158 56.048 0.123 0.000 1.299 341 H CB 1.717 31.551 29.762 0.121 0.000 1.405 341 H HN 0.463 nan 8.280 nan 0.000 0.463 342 P HA -0.214 nan 4.420 nan 0.000 0.216 342 P C 1.168 178.775 177.300 0.511 0.000 1.167 342 P CA 2.497 65.776 63.100 0.297 0.000 0.914 342 P CB 0.173 31.914 31.700 0.068 0.000 0.793 343 A N -1.744 121.355 122.820 0.465 0.000 1.968 343 A HA -0.089 4.232 4.320 0.002 0.000 0.217 343 A C 2.071 179.941 177.584 0.476 0.000 1.169 343 A CA 1.200 53.482 52.037 0.408 0.000 0.638 343 A CB -1.330 17.817 19.000 0.245 0.000 0.812 343 A HN 0.148 nan 8.150 nan 0.000 0.446 344 L N -1.102 120.349 121.223 0.379 0.000 2.477 344 L HA 0.199 4.540 4.340 0.002 0.000 0.220 344 L C 0.633 177.733 176.870 0.383 0.000 1.106 344 L CA 0.982 55.895 54.840 0.120 0.000 0.851 344 L CB -0.614 41.166 42.059 -0.464 0.000 0.994 344 L HN 0.561 nan 8.230 nan 0.000 0.462 345 N N -0.436 118.584 118.700 0.533 0.000 2.758 345 N HA -0.171 4.570 4.740 0.002 0.000 0.248 345 N C -0.729 175.038 175.510 0.429 0.000 1.076 345 N CA 0.969 54.338 53.050 0.531 0.000 0.696 345 N CB -1.191 37.720 38.487 0.708 0.000 0.979 345 N HN 0.257 nan 8.380 nan 0.000 0.550 346 V N -3.660 116.429 119.914 0.292 0.000 3.181 346 V HA 0.849 4.970 4.120 0.002 0.000 0.308 346 V C 0.559 176.743 176.094 0.150 0.000 1.214 346 V CA -0.436 61.985 62.300 0.201 0.000 1.053 346 V CB 1.517 33.428 31.823 0.147 0.000 1.069 346 V HN 0.428 nan 8.190 nan 0.000 0.441 347 S N -0.007 115.745 115.700 0.086 0.000 2.585 347 S HA 0.212 4.684 4.470 0.002 0.000 0.273 347 S C 1.335 175.996 174.600 0.101 0.000 1.339 347 S CA 0.363 58.605 58.200 0.070 0.000 1.028 347 S CB 0.941 64.156 63.200 0.025 0.000 0.906 347 S HN 1.725 nan 8.310 nan 0.000 0.528 348 T N -0.259 114.358 114.554 0.106 0.000 2.833 348 T HA -0.201 4.150 4.350 0.002 0.000 0.269 348 T C 1.770 176.517 174.700 0.079 0.000 1.054 348 T CA 1.145 63.318 62.100 0.122 0.000 1.135 348 T CB -0.500 68.421 68.868 0.089 0.000 0.869 348 T HN 0.742 nan 8.240 nan 0.000 0.466 349 R N 1.154 121.684 120.500 0.049 0.000 2.083 349 R HA -0.141 4.201 4.340 0.002 0.000 0.237 349 R C 2.312 178.624 176.300 0.021 0.000 1.137 349 R CA 2.095 58.212 56.100 0.028 0.000 0.951 349 R CB -1.007 29.304 30.300 0.017 0.000 0.851 349 R HN 0.404 nan 8.270 nan 0.000 0.434 350 T N 0.412 114.980 114.554 0.023 0.000 2.821 350 T HA -0.132 4.219 4.350 0.002 0.000 0.267 350 T C 1.860 176.563 174.700 0.005 0.000 1.046 350 T CA 1.576 63.681 62.100 0.008 0.000 1.139 350 T CB -0.228 68.648 68.868 0.012 0.000 0.871 350 T HN 0.564 nan 8.240 nan 0.000 0.454 351 S N 1.511 117.236 115.700 0.042 0.000 2.399 351 S HA -0.117 4.354 4.470 0.002 0.000 0.231 351 S C 1.847 176.465 174.600 0.030 0.000 1.022 351 S CA 1.171 59.401 58.200 0.050 0.000 0.983 351 S CB -0.346 62.966 63.200 0.187 0.000 0.803 351 S HN 0.575 nan 8.310 nan 0.000 0.480 352 E N 0.660 120.878 120.200 0.031 0.000 2.076 352 E HA 0.012 4.364 4.350 0.002 0.000 0.190 352 E C 2.389 178.958 176.600 -0.052 0.000 0.979 352 E CA 0.432 56.834 56.400 0.002 0.000 0.807 352 E CB -0.139 29.572 29.700 0.018 0.000 0.761 352 E HN 0.276 nan 8.360 nan 0.000 0.454 353 R N 1.187 121.656 120.500 -0.052 0.000 2.127 353 R HA -0.152 4.189 4.340 0.002 0.000 0.238 353 R C 2.207 178.415 176.300 -0.153 0.000 1.134 353 R CA 0.919 56.972 56.100 -0.077 0.000 0.975 353 R CB -0.498 29.772 30.300 -0.050 0.000 0.865 353 R HN 0.222 nan 8.270 nan 0.000 0.447 354 L N 0.849 121.961 121.223 -0.185 0.000 2.093 354 L HA -0.096 4.246 4.340 0.002 0.000 0.208 354 L C 2.689 179.219 176.870 -0.567 0.000 1.085 354 L CA 1.772 56.394 54.840 -0.364 0.000 0.755 354 L CB -0.648 41.231 42.059 -0.301 0.000 0.904 354 L HN -0.064 nan 8.230 nan 0.000 0.435 355 R N -0.387 119.917 120.500 -0.328 0.000 2.096 355 R HA -0.143 4.198 4.340 0.002 0.000 0.235 355 R C 1.933 178.103 176.300 -0.218 0.000 1.127 355 R CA 1.786 57.742 56.100 -0.239 0.000 0.968 355 R CB -1.181 29.076 30.300 -0.073 0.000 0.861 355 R HN 0.652 nan 8.270 nan 0.000 0.440 356 D N 0.251 120.530 120.400 -0.201 0.000 2.117 356 D HA -0.028 4.613 4.640 0.002 0.000 0.198 356 D C 2.085 178.226 176.300 -0.265 0.000 0.982 356 D CA 1.425 55.323 54.000 -0.169 0.000 0.828 356 D CB -0.324 40.407 40.800 -0.115 0.000 0.967 356 D HN 0.315 nan 8.370 nan 0.000 0.464 357 L N 0.303 121.286 121.223 -0.398 0.000 2.042 357 L HA -0.214 4.128 4.340 0.002 0.000 0.210 357 L C 2.436 178.676 176.870 -1.049 0.000 1.076 357 L CA 1.361 55.806 54.840 -0.658 0.000 0.749 357 L CB -0.449 41.201 42.059 -0.682 0.000 0.893 357 L HN 0.219 nan 8.230 nan 0.000 0.432 358 H N -1.957 116.580 119.070 -0.889 0.000 2.319 358 H HA -0.238 4.320 4.556 0.002 0.000 0.299 358 H C 2.431 177.562 175.328 -0.328 0.000 1.092 358 H CA 1.319 56.965 56.048 -0.670 0.000 1.302 358 H CB 0.051 29.596 29.762 -0.361 0.000 1.373 358 H HN 0.202 nan 8.280 nan 0.000 0.497 359 Q N 0.767 120.508 119.800 -0.098 0.000 2.124 359 Q HA -0.159 4.182 4.340 0.002 0.000 0.202 359 Q C 2.652 178.636 176.000 -0.026 0.000 0.977 359 Q CA 1.488 57.269 55.803 -0.037 0.000 0.850 359 Q CB -0.372 28.346 28.738 -0.035 0.000 0.901 359 Q HN 0.680 nan 8.270 nan 0.000 0.429 360 S N -1.341 114.306 115.700 -0.089 0.000 2.428 360 S HA -0.091 4.381 4.470 0.002 0.000 0.230 360 S C 1.532 176.223 174.600 0.151 0.000 1.014 360 S CA 0.924 59.124 58.200 -0.001 0.000 0.957 360 S CB -0.463 62.721 63.200 -0.026 0.000 0.784 360 S HN 0.764 nan 8.310 nan 0.000 0.499 361 W N 2.103 123.427 121.300 0.040 0.000 2.584 361 W HA 0.356 5.017 4.660 0.001 0.000 0.264 361 W C 1.709 178.234 176.519 0.010 0.000 1.264 361 W CA 0.087 57.446 57.345 0.023 0.000 1.306 361 W CB -0.937 28.535 29.460 0.020 0.000 1.110 361 W HN 0.477 nan 8.180 nan 0.000 0.606 362 K N 1.693 122.215 120.400 0.204 0.000 2.480 362 K HA 0.386 4.708 4.320 0.002 0.000 0.241 362 K C 0.305 176.958 176.600 0.088 0.000 1.261 362 K CA 0.593 56.952 56.287 0.120 0.000 1.193 362 K CB -1.285 31.262 32.500 0.078 0.000 1.598 362 K HN 0.200 nan 8.250 nan 0.000 0.278 363 T N 0.000 114.610 114.554 0.093 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.140 62.100 0.066 0.000 1.349 363 T CB 0.000 68.911 68.868 0.071 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658