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 2cb4_1_G DATA FIRST_RESID 33 DATA SEQUENCE NSPKDNTWIQ AASLTWLXDX SSLLYQLIST RIPSFASPNG LHXREQTIDS DATA SEQUENCE NTGQIQIDNE HRLLRWDRRP PNDIFLNGFI PRVTNQNLSP VEDTHLLNYL DATA SEQUENCE RTNSPSIFVS TTRARYNNLG LEITPWTPHS ANNNIIYRYE IFAPGGIDIN DATA SEQUENCE ASFSRNHNPF PNEDQITFPG GIRPEFIRST YEYHNGEIVR IWINPNFINP DATA SEQUENCE STLNDVSGPS NISKVFWHEN HSEGNNXDSX XXXXXXXYNQ DFDXFAPNGE DATA SEQUENCE IPNNNLLNNN SLNVIQ 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 33 N HA 0.000 nan 4.740 nan 0.000 0.220 33 N C 0.000 175.263 175.510 -0.411 0.000 1.280 33 N CA 0.000 52.986 53.050 -0.106 0.000 0.885 33 N CB 0.000 38.439 38.487 -0.080 0.000 1.341 34 S N 0.691 116.083 115.700 -0.515 0.000 2.593 34 S HA 0.042 4.512 4.470 0.000 0.000 0.303 34 S C -2.411 171.766 174.600 -0.704 0.000 1.267 34 S CA -0.368 57.324 58.200 -0.847 0.000 1.047 34 S CB -0.046 62.925 63.200 -0.382 0.000 0.777 34 S HN 0.182 nan 8.310 nan 0.000 0.498 35 P HA 0.329 nan 4.420 nan 0.000 0.278 35 P C 0.338 177.474 177.300 -0.273 0.000 1.238 35 P CA -0.679 62.102 63.100 -0.532 0.000 0.794 35 P CB 0.623 31.910 31.700 -0.688 0.000 0.955 36 K N 1.033 121.323 120.400 -0.183 0.000 2.057 36 K HA -0.035 4.285 4.320 0.000 0.000 0.206 36 K C 0.561 177.135 176.600 -0.043 0.000 1.050 36 K CA 1.607 57.833 56.287 -0.102 0.000 0.935 36 K CB -0.509 31.941 32.500 -0.083 0.000 0.715 36 K HN 0.688 nan 8.250 nan 0.000 0.439 37 D N -1.038 119.356 120.400 -0.010 0.000 2.585 37 D HA 0.041 4.681 4.640 0.000 0.000 0.254 37 D C 0.126 176.524 176.300 0.164 0.000 1.067 37 D CA -0.820 53.211 54.000 0.052 0.000 1.090 37 D CB -0.057 40.764 40.800 0.035 0.000 1.408 37 D HN -0.137 nan 8.370 nan 0.000 0.554 38 N N -1.222 117.576 118.700 0.163 0.000 2.313 38 N HA -0.012 4.728 4.740 0.000 0.000 0.207 38 N C 0.467 176.051 175.510 0.122 0.000 1.141 38 N CA -0.063 53.106 53.050 0.198 0.000 0.830 38 N CB -0.396 38.125 38.487 0.056 0.000 1.008 38 N HN 0.366 nan 8.380 nan 0.000 0.481 39 T N 0.466 115.120 114.554 0.167 0.000 2.737 39 T HA -0.153 4.197 4.350 0.000 0.000 0.269 39 T C 1.383 176.148 174.700 0.107 0.000 1.040 39 T CA 1.681 63.839 62.100 0.097 0.000 1.142 39 T CB -0.379 68.535 68.868 0.076 0.000 0.861 39 T HN 0.659 nan 8.240 nan 0.000 0.456 40 W N 3.000 124.265 121.300 -0.058 0.000 2.364 40 W HA 0.001 4.661 4.660 0.000 0.000 0.281 40 W C 1.324 177.815 176.519 -0.046 0.000 1.219 40 W CA 0.726 58.028 57.345 -0.071 0.000 1.220 40 W CB -1.075 28.343 29.460 -0.071 0.000 1.127 40 W HN 0.433 nan 8.180 nan 0.000 0.556 41 I N -1.483 118.729 120.570 -0.598 0.000 3.936 41 I HA 0.273 4.443 4.170 0.000 0.000 0.330 41 I C 1.734 177.688 176.117 -0.273 0.000 1.509 41 I CA -0.316 60.650 61.300 -0.557 0.000 1.126 41 I CB -0.283 37.173 38.000 -0.906 0.000 1.115 41 I HN -0.104 nan 8.210 nan 0.000 0.424 42 Q N 1.734 121.439 119.800 -0.158 0.000 2.364 42 Q HA 0.027 4.367 4.340 0.000 0.000 0.207 42 Q C 2.221 178.185 176.000 -0.061 0.000 0.970 42 Q CA 1.404 57.153 55.803 -0.090 0.000 0.888 42 Q CB 0.183 28.887 28.738 -0.056 0.000 0.951 42 Q HN 0.782 nan 8.270 nan 0.000 0.469 43 A N 0.527 123.291 122.820 -0.093 0.000 2.208 43 A HA 0.308 4.628 4.320 0.000 0.000 0.209 43 A C 0.962 178.586 177.584 0.066 0.000 1.161 43 A CA 0.321 52.302 52.037 -0.094 0.000 0.782 43 A CB -0.163 18.685 19.000 -0.254 0.000 0.816 43 A HN 0.312 nan 8.150 nan 0.000 0.477 44 A N 0.064 122.871 122.820 -0.022 0.000 2.598 44 A HA 0.211 4.531 4.320 0.000 0.000 0.239 44 A C 1.446 178.987 177.584 -0.071 0.000 1.032 44 A CA 0.842 52.825 52.037 -0.090 0.000 0.760 44 A CB 0.009 18.875 19.000 -0.224 0.000 0.946 44 A HN 0.449 nan 8.150 nan 0.000 0.512 45 S N 1.701 117.348 115.700 -0.088 0.000 2.388 45 S HA 0.077 4.547 4.470 0.000 0.000 0.223 45 S C 0.863 175.372 174.600 -0.152 0.000 1.034 45 S CA 0.390 58.544 58.200 -0.077 0.000 0.963 45 S CB -0.334 62.836 63.200 -0.050 0.000 0.827 45 S HN 0.608 nan 8.310 nan 0.000 0.481 46 L N 3.502 124.548 121.223 -0.296 0.000 2.384 46 L HA 0.159 4.499 4.340 0.000 0.000 0.258 46 L C 1.709 178.129 176.870 -0.751 0.000 1.266 46 L CA -0.099 54.383 54.840 -0.596 0.000 1.162 46 L CB -0.053 41.481 42.059 -0.876 0.000 1.375 46 L HN 0.431 nan 8.230 nan 0.000 0.420 47 T N -2.613 111.715 114.554 -0.377 0.000 2.849 47 T HA -0.206 4.144 4.350 0.000 0.000 0.270 47 T C 1.560 176.161 174.700 -0.165 0.000 1.066 47 T CA 0.819 62.793 62.100 -0.210 0.000 1.130 47 T CB -0.254 68.585 68.868 -0.049 0.000 0.864 47 T HN 0.747 nan 8.240 nan 0.000 0.481 48 W N 1.270 122.552 121.300 -0.031 0.000 2.468 48 W HA 0.291 4.951 4.660 0.000 0.000 0.262 48 W C 0.734 177.229 176.519 -0.040 0.000 1.241 48 W CA -0.628 56.699 57.345 -0.029 0.000 1.232 48 W CB -1.070 28.375 29.460 -0.026 0.000 1.124 48 W HN 0.239 nan 8.180 nan 0.000 0.597 54 S N 1.920 117.767 115.700 0.244 0.000 2.368 54 S HA 0.010 4.480 4.470 0.000 0.000 0.224 54 S C 1.717 176.449 174.600 0.219 0.000 1.029 54 S CA 1.605 59.925 58.200 0.199 0.000 0.988 54 S CB -0.486 62.777 63.200 0.105 0.000 0.838 54 S HN 0.516 nan 8.310 nan 0.000 0.462 55 L N 1.702 123.031 121.223 0.176 0.000 2.046 55 L HA -0.005 4.335 4.340 0.000 0.000 0.208 55 L C 2.018 178.997 176.870 0.181 0.000 1.077 55 L CA 1.539 56.468 54.840 0.149 0.000 0.747 55 L CB -0.847 41.282 42.059 0.117 0.000 0.896 55 L HN 0.296 nan 8.230 nan 0.000 0.432 56 L N -1.311 120.054 121.223 0.236 0.000 2.046 56 L HA -0.226 4.114 4.340 0.000 0.000 0.208 56 L C 2.430 179.513 176.870 0.355 0.000 1.077 56 L CA 1.956 56.955 54.840 0.265 0.000 0.747 56 L CB -1.031 41.166 42.059 0.230 0.000 0.896 56 L HN 0.468 nan 8.230 nan 0.000 0.432 57 Y N -0.312 120.191 120.300 0.338 0.000 2.224 57 Y HA -0.268 4.282 4.550 0.000 0.000 0.289 57 Y C 2.505 178.433 175.900 0.048 0.000 1.146 57 Y CA 1.939 60.120 58.100 0.135 0.000 1.182 57 Y CB -0.041 38.354 38.460 -0.108 0.000 0.983 57 Y HN 0.335 nan 8.280 nan 0.000 0.524 58 Q N -0.431 119.449 119.800 0.134 0.000 2.016 58 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 58 Q C 2.321 178.300 176.000 -0.034 0.000 0.978 58 Q CA 1.269 57.091 55.803 0.032 0.000 0.833 58 Q CB -0.853 27.936 28.738 0.085 0.000 0.895 58 Q HN 0.447 nan 8.270 nan 0.000 0.427 59 L N 0.940 122.178 121.223 0.025 0.000 2.043 59 L HA -0.194 4.146 4.340 0.000 0.000 0.212 59 L C 2.199 179.062 176.870 -0.012 0.000 1.075 59 L CA 1.605 56.458 54.840 0.021 0.000 0.752 59 L CB -0.739 41.360 42.059 0.066 0.000 0.891 59 L HN 0.178 nan 8.230 nan 0.000 0.432 60 I N -2.171 118.391 120.570 -0.014 0.000 2.277 60 I HA -0.229 3.941 4.170 0.000 0.000 0.243 60 I C 2.362 178.381 176.117 -0.163 0.000 1.094 60 I CA 0.993 62.280 61.300 -0.022 0.000 1.393 60 I CB -0.355 37.687 38.000 0.070 0.000 1.078 60 I HN 0.099 nan 8.210 nan 0.000 0.417 61 S N 0.336 115.835 115.700 -0.336 0.000 2.400 61 S HA -0.194 4.276 4.470 0.000 0.000 0.232 61 S C 2.082 176.558 174.600 -0.206 0.000 1.025 61 S CA 2.053 60.030 58.200 -0.372 0.000 0.993 61 S CB -0.485 62.370 63.200 -0.575 0.000 0.808 61 S HN 0.652 nan 8.310 nan 0.000 0.478 62 T N -0.400 114.063 114.554 -0.153 0.000 3.072 62 T HA 0.069 4.419 4.350 0.000 0.000 0.266 62 T C 1.343 175.970 174.700 -0.121 0.000 1.127 62 T CA 0.542 62.577 62.100 -0.109 0.000 1.107 62 T CB -0.096 68.731 68.868 -0.069 0.000 0.910 62 T HN 0.089 nan 8.240 nan 0.000 0.513 63 R N 0.690 121.091 120.500 -0.164 0.000 2.466 63 R HA 0.443 4.783 4.340 0.000 0.000 0.279 63 R C -0.170 176.017 176.300 -0.190 0.000 0.976 63 R CA -0.101 55.862 56.100 -0.230 0.000 1.081 63 R CB -0.058 29.970 30.300 -0.453 0.000 1.215 63 R HN 0.520 nan 8.270 nan 0.000 0.546 64 I N 2.498 122.979 120.570 -0.149 0.000 2.420 64 I HA 0.275 4.445 4.170 0.000 0.000 0.282 64 I C -2.267 173.720 176.117 -0.216 0.000 1.019 64 I CA -2.244 58.980 61.300 -0.128 0.000 1.130 64 I CB 1.865 39.831 38.000 -0.058 0.000 1.262 64 I HN -0.327 nan 8.210 nan 0.000 0.454 65 P HA 0.107 nan 4.420 nan 0.000 0.266 65 P C 0.737 177.677 177.300 -0.600 0.000 1.195 65 P CA 0.106 62.861 63.100 -0.576 0.000 0.768 65 P CB 0.736 31.688 31.700 -1.247 0.000 0.838 66 S N 1.737 117.236 115.700 -0.334 0.000 2.420 66 S HA -0.189 4.281 4.470 0.000 0.000 0.237 66 S C 1.398 175.887 174.600 -0.185 0.000 1.023 66 S CA 1.539 59.630 58.200 -0.182 0.000 0.991 66 S CB -0.966 62.210 63.200 -0.040 0.000 0.792 66 S HN 0.670 nan 8.310 nan 0.000 0.488 67 F N 1.151 121.010 119.950 -0.151 0.000 2.407 67 F HA 0.379 4.906 4.527 0.000 0.000 0.299 67 F C 2.136 177.660 175.800 -0.461 0.000 1.097 67 F CA 0.182 58.027 58.000 -0.258 0.000 1.422 67 F CB -0.827 38.015 39.000 -0.264 0.000 1.067 67 F HN 0.133 nan 8.300 nan 0.000 0.539 68 A N -0.513 121.854 122.820 -0.756 0.000 1.898 68 A HA 0.090 4.410 4.320 0.000 0.000 0.214 68 A C 1.530 179.115 177.584 0.002 0.000 1.183 68 A CA 1.114 52.935 52.037 -0.360 0.000 0.622 68 A CB -0.677 18.173 19.000 -0.250 0.000 0.824 68 A HN 0.294 nan 8.150 nan 0.000 0.444 69 S N -0.375 115.257 115.700 -0.113 0.000 2.130 69 S HA 0.459 4.929 4.470 0.000 0.000 0.165 69 S C -2.099 172.425 174.600 -0.127 0.000 1.677 69 S CA -1.356 56.758 58.200 -0.143 0.000 1.227 69 S CB 0.563 63.610 63.200 -0.255 0.000 1.115 69 S HN 0.107 nan 8.310 nan 0.000 0.452 70 P HA -0.081 nan 4.420 nan 0.000 0.216 70 P C 0.312 177.581 177.300 -0.052 0.000 1.157 70 P CA 1.484 64.554 63.100 -0.049 0.000 0.880 70 P CB 0.018 31.706 31.700 -0.019 0.000 0.791 71 N N -1.462 117.202 118.700 -0.060 0.000 2.270 71 N HA 0.317 5.057 4.740 0.000 0.000 0.198 71 N C 0.645 176.119 175.510 -0.060 0.000 1.117 71 N CA 0.500 53.520 53.050 -0.050 0.000 0.845 71 N CB 0.262 38.728 38.487 -0.035 0.000 0.980 71 N HN 0.142 nan 8.380 nan 0.000 0.486 72 G N 0.539 109.283 108.800 -0.093 0.000 2.796 72 G HA2 -0.242 3.718 3.960 0.000 0.000 0.571 72 G HA3 -0.242 3.718 3.960 0.000 0.000 0.571 72 G C -0.582 174.231 174.900 -0.146 0.000 1.370 72 G CA -0.941 44.106 45.100 -0.089 0.000 0.856 72 G HN 0.122 nan 8.290 nan 0.000 0.538 73 L N 1.476 122.622 121.223 -0.128 0.000 2.453 73 L HA 0.300 4.640 4.340 0.000 0.000 0.272 73 L C 1.316 178.124 176.870 -0.104 0.000 1.182 73 L CA -0.474 54.261 54.840 -0.176 0.000 0.858 73 L CB 0.691 42.670 42.059 -0.133 0.000 1.120 73 L HN 0.766 nan 8.230 nan 0.000 0.474 77 E N 1.598 121.872 120.200 0.123 0.000 2.244 77 E HA 0.272 4.622 4.350 0.000 0.000 0.266 77 E C -0.766 175.939 176.600 0.176 0.000 0.914 77 E CA -0.813 55.648 56.400 0.101 0.000 0.794 77 E CB 1.797 31.550 29.700 0.089 0.000 1.210 77 E HN 0.487 nan 8.360 nan 0.000 0.414 78 Q N -0.259 119.575 119.800 0.056 0.000 2.481 78 Q HA -0.220 4.120 4.340 0.000 0.000 0.272 78 Q C 0.841 176.631 176.000 -0.351 0.000 1.157 78 Q CA 0.893 56.664 55.803 -0.054 0.000 0.935 78 Q CB -2.031 26.737 28.738 0.051 0.000 1.338 78 Q HN 0.820 nan 8.270 nan 0.000 0.494 79 T N -2.907 111.542 114.554 -0.176 0.000 3.055 79 T HA 0.231 4.581 4.350 0.000 0.000 0.265 79 T C 0.700 175.319 174.700 -0.136 0.000 1.111 79 T CA 0.508 62.504 62.100 -0.174 0.000 1.118 79 T CB 0.344 69.223 68.868 0.018 0.000 0.909 79 T HN 0.352 nan 8.240 nan 0.000 0.501 80 I N 1.534 122.039 120.570 -0.108 0.000 2.545 80 I HA 0.308 4.478 4.170 0.000 0.000 0.292 80 I C -0.807 175.271 176.117 -0.065 0.000 1.040 80 I CA -1.165 60.097 61.300 -0.064 0.000 1.068 80 I CB 2.156 40.136 38.000 -0.033 0.000 1.251 80 I HN 0.005 nan 8.210 nan 0.000 0.424 81 D N 3.791 124.160 120.400 -0.051 0.000 2.401 81 D HA -0.012 4.628 4.640 0.000 0.000 0.254 81 D C 1.251 177.536 176.300 -0.024 0.000 1.192 81 D CA 0.316 54.294 54.000 -0.038 0.000 0.885 81 D CB 1.306 42.088 40.800 -0.030 0.000 1.147 81 D HN 0.621 nan 8.370 nan 0.000 0.478 82 S N 3.915 119.603 115.700 -0.020 0.000 2.399 82 S HA -0.178 4.292 4.470 0.000 0.000 0.231 82 S C 1.265 175.859 174.600 -0.010 0.000 1.022 82 S CA 0.711 58.903 58.200 -0.013 0.000 0.983 82 S CB -0.063 63.131 63.200 -0.010 0.000 0.803 82 S HN 0.535 nan 8.310 nan 0.000 0.480 83 N N 1.573 120.267 118.700 -0.010 0.000 2.250 83 N HA -0.027 4.713 4.740 0.000 0.000 0.181 83 N C 1.901 177.406 175.510 -0.008 0.000 1.017 83 N CA 1.894 54.940 53.050 -0.008 0.000 0.866 83 N CB -0.622 37.861 38.487 -0.006 0.000 0.985 83 N HN 0.837 nan 8.380 nan 0.000 0.429 84 T N -3.928 110.619 114.554 -0.011 0.000 2.990 84 T HA 0.343 4.693 4.350 0.000 0.000 0.250 84 T C 1.426 176.120 174.700 -0.010 0.000 1.041 84 T CA 0.730 62.823 62.100 -0.011 0.000 1.010 84 T CB 0.585 69.445 68.868 -0.013 0.000 1.003 84 T HN 0.259 nan 8.240 nan 0.000 0.499 85 G N 1.264 110.058 108.800 -0.011 0.000 2.179 85 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 85 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 85 G C -0.049 174.848 174.900 -0.005 0.000 0.977 85 G CA 0.258 45.353 45.100 -0.007 0.000 0.641 85 G HN 0.692 nan 8.290 nan 0.000 0.533 86 Q N -0.075 119.718 119.800 -0.011 0.000 2.312 86 Q HA 0.509 4.849 4.340 0.000 0.000 0.236 86 Q C 0.727 176.721 176.000 -0.011 0.000 0.965 86 Q CA -0.943 54.852 55.803 -0.012 0.000 0.894 86 Q CB 0.908 29.630 28.738 -0.026 0.000 1.225 86 Q HN 0.243 nan 8.270 nan 0.000 0.478 87 I N 2.112 122.686 120.570 0.006 0.000 2.752 87 I HA -0.111 4.059 4.170 0.000 0.000 0.289 87 I C 0.447 176.564 176.117 0.000 0.000 1.197 87 I CA 0.363 61.678 61.300 0.025 0.000 1.432 87 I CB -0.272 37.793 38.000 0.108 0.000 1.359 87 I HN 0.586 nan 8.210 nan 0.000 0.571 88 Q N 6.476 126.258 119.800 -0.030 0.000 2.296 88 Q HA 0.314 4.654 4.340 0.000 0.000 0.263 88 Q C -0.767 175.250 176.000 0.028 0.000 1.026 88 Q CA 0.489 56.254 55.803 -0.063 0.000 0.912 88 Q CB 0.168 28.757 28.738 -0.248 0.000 1.198 88 Q HN 0.501 nan 8.270 nan 0.000 0.407 89 I N 5.263 125.799 120.570 -0.057 0.000 2.412 89 I HA 0.320 4.490 4.170 0.000 0.000 0.279 89 I C -0.899 175.153 176.117 -0.109 0.000 1.063 89 I CA -0.621 60.505 61.300 -0.290 0.000 1.193 89 I CB 0.382 38.075 38.000 -0.511 0.000 1.370 89 I HN 0.648 nan 8.210 nan 0.000 0.479 90 D N 2.474 122.980 120.400 0.177 0.000 2.583 90 D HA 0.235 4.875 4.640 0.000 0.000 0.248 90 D C 0.309 176.780 176.300 0.284 0.000 1.209 90 D CA -0.794 53.316 54.000 0.182 0.000 0.848 90 D CB 0.548 41.438 40.800 0.150 0.000 1.431 90 D HN -0.063 nan 8.370 nan 0.000 0.436 91 N N 0.237 118.984 118.700 0.078 0.000 2.132 91 N HA -0.202 4.538 4.740 0.000 0.000 0.191 91 N C 1.213 176.737 175.510 0.023 0.000 1.015 91 N CA 1.260 54.263 53.050 -0.078 0.000 0.864 91 N CB -0.134 37.944 38.487 -0.681 0.000 1.006 91 N HN 0.684 nan 8.380 nan 0.000 0.430 92 E N -0.343 119.856 120.200 -0.002 0.000 2.153 92 E HA -0.162 4.188 4.350 0.000 0.000 0.194 92 E C 0.488 176.957 176.600 -0.218 0.000 0.988 92 E CA 1.027 57.365 56.400 -0.104 0.000 0.811 92 E CB 0.029 29.631 29.700 -0.165 0.000 0.746 92 E HN 0.582 nan 8.360 nan 0.000 0.466 93 H N -1.299 117.883 119.070 0.187 0.000 2.594 93 H HA 0.205 4.761 4.556 0.000 0.000 0.279 93 H C -0.032 175.394 175.328 0.163 0.000 1.042 93 H CA -0.260 55.913 56.048 0.209 0.000 1.177 93 H CB 0.375 30.289 29.762 0.253 0.000 1.524 93 H HN -0.137 nan 8.280 nan 0.000 0.537 94 R N 1.825 122.427 120.500 0.170 0.000 2.296 94 R HA 0.222 4.562 4.340 0.000 0.000 0.323 94 R C -0.992 175.209 176.300 -0.165 0.000 1.067 94 R CA -0.081 55.885 56.100 -0.223 0.000 0.946 94 R CB 0.056 30.383 30.300 0.045 0.000 0.991 94 R HN 0.195 nan 8.270 nan 0.000 0.448 95 L N 5.558 126.603 121.223 -0.296 0.000 2.330 95 L HA 0.577 4.917 4.340 0.000 0.000 0.271 95 L C -0.495 176.273 176.870 -0.170 0.000 1.013 95 L CA -1.080 53.682 54.840 -0.129 0.000 0.816 95 L CB 1.653 43.695 42.059 -0.029 0.000 1.287 95 L HN 0.500 nan 8.230 nan 0.000 0.435 96 L N 1.711 122.868 121.223 -0.109 0.000 2.371 96 L HA 0.682 5.022 4.340 0.000 0.000 0.262 96 L C -0.660 176.132 176.870 -0.131 0.000 1.006 96 L CA -0.685 54.062 54.840 -0.155 0.000 0.818 96 L CB 2.457 44.401 42.059 -0.192 0.000 1.354 96 L HN 0.546 nan 8.230 nan 0.000 0.415 97 R N 1.125 121.531 120.500 -0.156 0.000 2.515 97 R HA 0.354 4.694 4.340 0.000 0.000 0.291 97 R C -2.080 174.221 176.300 0.001 0.000 1.046 97 R CA -0.473 55.560 56.100 -0.112 0.000 0.914 97 R CB 1.299 31.380 30.300 -0.365 0.000 1.191 97 R HN 0.515 nan 8.270 nan 0.000 0.435 98 W N 3.815 125.225 121.300 0.182 0.000 2.322 98 W HA 0.344 5.004 4.660 0.000 0.000 0.307 98 W C 0.110 176.799 176.519 0.282 0.000 1.220 98 W CA 0.145 57.642 57.345 0.254 0.000 1.210 98 W CB 1.039 30.639 29.460 0.233 0.000 1.223 98 W HN 0.320 nan 8.180 nan 0.000 0.511 99 D N 1.720 122.497 120.400 0.628 0.000 2.837 99 D HA 0.214 4.854 4.640 0.000 0.000 0.220 99 D C 0.675 177.348 176.300 0.620 0.000 1.236 99 D CA -0.532 53.809 54.000 0.567 0.000 0.838 99 D CB 1.844 42.986 40.800 0.570 0.000 1.647 99 D HN 0.289 nan 8.370 nan 0.000 0.486 100 R N 1.349 122.166 120.500 0.529 0.000 2.275 100 R HA 0.116 4.456 4.340 0.000 0.000 0.199 100 R C 0.429 176.989 176.300 0.432 0.000 0.989 100 R CA 0.153 56.545 56.100 0.486 0.000 1.016 100 R CB 0.240 30.779 30.300 0.397 0.000 0.918 100 R HN 0.191 nan 8.270 nan 0.000 0.473 101 R N 1.992 122.697 120.500 0.343 0.000 2.438 101 R HA 0.169 4.509 4.340 0.000 0.000 0.287 101 R C -2.124 174.059 176.300 -0.194 0.000 1.077 101 R CA -1.473 54.686 56.100 0.098 0.000 1.034 101 R CB 0.353 30.702 30.300 0.082 0.000 0.993 101 R HN -0.002 nan 8.270 nan 0.000 0.459 102 P HA 0.179 nan 4.420 nan 0.000 0.278 102 P C -2.244 174.571 177.300 -0.809 0.000 1.266 102 P CA -1.839 60.710 63.100 -0.917 0.000 0.807 102 P CB 0.704 32.124 31.700 -0.467 0.000 1.094 103 P HA -0.181 nan 4.420 nan 0.000 0.216 103 P C 1.099 177.874 177.300 -0.875 0.000 1.150 103 P CA 1.585 63.849 63.100 -1.393 0.000 0.843 103 P CB -0.328 30.201 31.700 -1.953 0.000 0.787 104 N N -0.726 117.775 118.700 -0.332 0.000 2.364 104 N HA -0.141 4.599 4.740 0.000 0.000 0.183 104 N C 1.448 176.953 175.510 -0.009 0.000 1.022 104 N CA 1.126 54.248 53.050 0.119 0.000 0.883 104 N CB -0.703 37.854 38.487 0.117 0.000 0.965 104 N HN 0.237 nan 8.380 nan 0.000 0.438 105 D N 0.113 120.390 120.400 -0.205 0.000 2.394 105 D HA 0.037 4.677 4.640 0.000 0.000 0.237 105 D C 1.909 178.018 176.300 -0.319 0.000 1.028 105 D CA 0.209 54.095 54.000 -0.190 0.000 0.937 105 D CB 0.018 40.714 40.800 -0.175 0.000 1.072 105 D HN -0.138 nan 8.370 nan 0.000 0.457 106 I N 0.955 121.215 120.570 -0.517 0.000 2.163 106 I HA -0.218 3.952 4.170 0.000 0.000 0.243 106 I C 2.195 177.962 176.117 -0.583 0.000 1.085 106 I CA 0.920 61.780 61.300 -0.733 0.000 1.347 106 I CB -1.331 35.954 38.000 -1.192 0.000 1.044 106 I HN 0.065 nan 8.210 nan 0.000 0.408 107 F N 0.238 119.675 119.950 -0.854 0.000 2.604 107 F HA -0.070 4.457 4.527 0.000 0.000 0.298 107 F C 2.206 177.532 175.800 -0.789 0.000 1.131 107 F CA 0.437 57.812 58.000 -1.041 0.000 1.457 107 F CB -0.968 36.858 39.000 -1.956 0.000 1.095 107 F HN 0.071 nan 8.300 nan 0.000 0.574 108 L N -0.154 120.890 121.223 -0.297 0.000 2.221 108 L HA 0.125 4.465 4.340 0.000 0.000 0.202 108 L C 1.706 178.542 176.870 -0.056 0.000 1.074 108 L CA 1.580 56.430 54.840 0.017 0.000 0.795 108 L CB -0.441 41.724 42.059 0.175 0.000 0.960 108 L HN -0.139 nan 8.230 nan 0.000 0.458 109 N N -0.207 118.408 118.700 -0.140 0.000 2.294 109 N HA 0.243 4.983 4.740 0.000 0.000 0.186 109 N C 0.941 176.335 175.510 -0.193 0.000 1.107 109 N CA 0.848 53.820 53.050 -0.131 0.000 0.884 109 N CB 0.701 39.121 38.487 -0.110 0.000 1.030 109 N HN 0.427 nan 8.380 nan 0.000 0.482 110 G N 1.304 109.904 108.800 -0.334 0.000 2.593 110 G HA2 -0.268 3.692 3.960 0.000 0.000 0.237 110 G HA3 -0.268 3.692 3.960 0.000 0.000 0.237 110 G C -1.044 173.518 174.900 -0.563 0.000 1.312 110 G CA -0.595 44.240 45.100 -0.442 0.000 0.896 110 G HN 0.135 nan 8.290 nan 0.000 0.574 111 F N 0.738 120.604 119.950 -0.140 0.000 2.313 111 F HA 0.604 5.131 4.527 0.000 0.000 0.369 111 F C 1.023 176.773 175.800 -0.083 0.000 1.109 111 F CA -0.627 57.297 58.000 -0.127 0.000 1.132 111 F CB 0.904 39.822 39.000 -0.137 0.000 1.291 111 F HN 0.368 nan 8.300 nan 0.000 0.496 112 I N 5.496 126.116 120.570 0.083 0.000 2.396 112 I HA 0.311 4.481 4.170 0.000 0.000 0.292 112 I C -2.042 174.107 176.117 0.053 0.000 0.999 112 I CA -2.027 59.297 61.300 0.039 0.000 1.310 112 I CB 1.201 39.211 38.000 0.017 0.000 1.404 112 I HN 0.288 nan 8.210 nan 0.000 0.496 113 P HA 0.222 nan 4.420 nan 0.000 0.272 113 P C 0.158 177.465 177.300 0.011 0.000 1.240 113 P CA -0.399 62.699 63.100 -0.005 0.000 0.791 113 P CB 0.600 32.250 31.700 -0.082 0.000 0.978 114 R N -0.105 120.402 120.500 0.012 0.000 2.120 114 R HA 0.006 4.346 4.340 0.000 0.000 0.234 114 R C 0.133 176.443 176.300 0.018 0.000 1.123 114 R CA 0.864 56.977 56.100 0.022 0.000 0.975 114 R CB -0.372 29.945 30.300 0.028 0.000 0.866 114 R HN 0.274 nan 8.270 nan 0.000 0.446 115 V N 1.014 120.927 119.914 -0.002 0.000 2.370 115 V HA 0.107 4.227 4.120 0.000 0.000 0.283 115 V C 0.819 176.934 176.094 0.036 0.000 1.023 115 V CA -0.157 62.150 62.300 0.012 0.000 0.857 115 V CB 1.601 33.420 31.823 -0.007 0.000 0.985 115 V HN 0.338 nan 8.190 nan 0.000 0.443 116 T N -0.324 114.280 114.554 0.083 0.000 3.003 116 T HA 0.119 4.469 4.350 0.000 0.000 0.261 116 T C 0.516 175.370 174.700 0.258 0.000 1.003 116 T CA -0.327 61.868 62.100 0.159 0.000 0.917 116 T CB -0.073 68.866 68.868 0.118 0.000 1.084 116 T HN 0.629 nan 8.240 nan 0.000 0.522 117 N N 1.512 120.297 118.700 0.142 0.000 2.509 117 N HA 0.160 4.900 4.740 0.000 0.000 0.287 117 N C -0.599 174.886 175.510 -0.041 0.000 1.121 117 N CA -0.593 52.472 53.050 0.024 0.000 0.977 117 N CB 1.490 39.963 38.487 -0.024 0.000 1.167 117 N HN 0.335 nan 8.380 nan 0.000 0.476 118 Q N 0.694 120.255 119.800 -0.399 0.000 2.313 118 Q HA 0.063 4.403 4.340 0.000 0.000 0.266 118 Q C -1.054 174.839 176.000 -0.178 0.000 0.989 118 Q CA 0.079 55.574 55.803 -0.513 0.000 0.890 118 Q CB 0.346 28.534 28.738 -0.916 0.000 1.200 118 Q HN 0.646 nan 8.270 nan 0.000 0.396 119 N N 4.850 123.521 118.700 -0.048 0.000 2.747 119 N HA 0.103 4.843 4.740 0.000 0.000 0.262 119 N C -0.972 174.553 175.510 0.025 0.000 1.261 119 N CA -0.176 52.866 53.050 -0.014 0.000 0.809 119 N CB 0.701 39.189 38.487 0.002 0.000 1.450 119 N HN 0.725 nan 8.380 nan 0.000 0.560 120 L N 0.980 122.212 121.223 0.015 0.000 2.682 120 L HA 0.207 4.547 4.340 0.000 0.000 0.240 120 L C 0.447 177.334 176.870 0.029 0.000 1.178 120 L CA 0.203 55.065 54.840 0.036 0.000 0.970 120 L CB -0.351 41.728 42.059 0.032 0.000 1.179 120 L HN 0.255 nan 8.230 nan 0.000 0.435 121 S N 0.607 116.322 115.700 0.025 0.000 2.654 121 S HA 0.312 4.782 4.470 0.000 0.000 0.283 121 S C -1.718 172.901 174.600 0.032 0.000 1.180 121 S CA -0.928 57.286 58.200 0.024 0.000 1.021 121 S CB 1.218 64.430 63.200 0.019 0.000 1.018 121 S HN 0.030 nan 8.310 nan 0.000 0.532 122 P HA 0.055 nan 4.420 nan 0.000 0.269 122 P C 0.487 177.819 177.300 0.053 0.000 1.461 122 P CA -0.037 63.080 63.100 0.028 0.000 0.809 122 P CB -0.941 30.766 31.700 0.012 0.000 1.503 123 V N -2.194 117.755 119.914 0.059 0.000 3.923 123 V HA 0.024 4.144 4.120 0.000 0.000 0.292 123 V C 1.746 177.912 176.094 0.120 0.000 1.070 123 V CA 0.229 62.575 62.300 0.075 0.000 1.103 123 V CB -0.080 31.776 31.823 0.054 0.000 1.175 123 V HN -0.105 nan 8.190 nan 0.000 0.471 124 E N 0.146 120.422 120.200 0.126 0.000 2.338 124 E HA -0.137 4.213 4.350 0.000 0.000 0.197 124 E C 1.691 178.391 176.600 0.166 0.000 1.007 124 E CA 1.178 57.681 56.400 0.172 0.000 0.849 124 E CB -0.454 29.313 29.700 0.111 0.000 0.774 124 E HN 0.839 nan 8.360 nan 0.000 0.506 125 D N 0.160 120.614 120.400 0.091 0.000 2.149 125 D HA -0.155 4.485 4.640 0.000 0.000 0.194 125 D C 1.788 178.066 176.300 -0.036 0.000 1.001 125 D CA 2.178 56.189 54.000 0.019 0.000 0.849 125 D CB -0.359 40.442 40.800 0.002 0.000 0.939 125 D HN 0.334 nan 8.370 nan 0.000 0.449 126 T N -3.701 110.895 114.554 0.070 0.000 3.092 126 T HA 0.047 4.397 4.350 0.000 0.000 0.258 126 T C 0.533 175.489 174.700 0.426 0.000 1.031 126 T CA -0.455 61.725 62.100 0.135 0.000 0.925 126 T CB -0.596 68.326 68.868 0.090 0.000 1.036 126 T HN 0.218 nan 8.240 nan 0.000 0.544 127 H N 1.642 120.885 119.070 0.288 0.000 3.330 127 H HA 0.289 4.845 4.556 0.000 0.000 0.260 127 H C 1.373 176.880 175.328 0.298 0.000 1.439 127 H CA -0.823 55.372 56.048 0.244 0.000 1.540 127 H CB 0.081 29.935 29.762 0.153 0.000 1.698 127 H HN 0.077 nan 8.280 nan 0.000 0.516 128 L N 4.094 125.561 121.223 0.408 0.000 2.013 128 L HA -0.231 4.109 4.340 0.000 0.000 0.212 128 L C 1.634 178.587 176.870 0.139 0.000 1.073 128 L CA 1.694 56.559 54.840 0.042 0.000 0.753 128 L CB -0.428 41.538 42.059 -0.156 0.000 0.890 128 L HN 0.681 nan 8.230 nan 0.000 0.432 129 L N -0.827 120.527 121.223 0.219 0.000 2.093 129 L HA -0.196 4.144 4.340 0.000 0.000 0.208 129 L C 2.243 179.091 176.870 -0.035 0.000 1.085 129 L CA 1.124 55.970 54.840 0.011 0.000 0.755 129 L CB -0.573 41.491 42.059 0.009 0.000 0.904 129 L HN 0.355 nan 8.230 nan 0.000 0.435 130 N N -0.864 117.775 118.700 -0.102 0.000 2.188 130 N HA -0.229 4.511 4.740 0.000 0.000 0.184 130 N C 1.636 177.125 175.510 -0.035 0.000 1.018 130 N CA 0.996 53.891 53.050 -0.258 0.000 0.858 130 N CB -0.302 37.775 38.487 -0.683 0.000 0.989 130 N HN 0.300 nan 8.380 nan 0.000 0.426 131 Y N 1.478 121.769 120.300 -0.015 0.000 2.097 131 Y HA -0.145 4.405 4.550 0.000 0.000 0.282 131 Y C 1.894 177.820 175.900 0.043 0.000 1.152 131 Y CA 1.586 59.711 58.100 0.042 0.000 1.136 131 Y CB -0.639 37.906 38.460 0.141 0.000 0.975 131 Y HN 0.008 nan 8.280 nan 0.000 0.498 132 L N -0.076 120.992 121.223 -0.259 0.000 2.083 132 L HA -0.174 4.166 4.340 0.000 0.000 0.209 132 L C 2.758 179.690 176.870 0.105 0.000 1.083 132 L CA 1.839 56.552 54.840 -0.212 0.000 0.752 132 L CB -0.537 41.441 42.059 -0.136 0.000 0.899 132 L HN 0.161 nan 8.230 nan 0.000 0.433 133 R N -0.306 120.238 120.500 0.073 0.000 2.140 133 R HA -0.079 4.261 4.340 0.000 0.000 0.213 133 R C 2.116 178.680 176.300 0.440 0.000 1.059 133 R CA 1.578 57.814 56.100 0.227 0.000 1.000 133 R CB 0.161 30.442 30.300 -0.032 0.000 0.910 133 R HN 0.435 nan 8.270 nan 0.000 0.455 134 T N -3.783 110.838 114.554 0.111 0.000 2.959 134 T HA 0.109 4.459 4.350 0.000 0.000 0.254 134 T C 0.423 174.751 174.700 -0.621 0.000 1.003 134 T CA 0.271 62.314 62.100 -0.095 0.000 0.950 134 T CB 0.255 69.078 68.868 -0.075 0.000 1.090 134 T HN 0.274 nan 8.240 nan 0.000 0.503 135 N N 1.543 119.853 118.700 -0.649 0.000 2.818 135 N HA -0.161 4.579 4.740 0.000 0.000 0.250 135 N C -0.144 175.221 175.510 -0.241 0.000 1.108 135 N CA 0.764 53.406 53.050 -0.680 0.000 0.745 135 N CB -1.828 35.895 38.487 -1.274 0.000 1.104 135 N HN 0.874 nan 8.380 nan 0.000 0.557 136 S N -0.883 114.765 115.700 -0.087 0.000 2.573 136 S HA 0.468 4.938 4.470 0.000 0.000 0.277 136 S C -2.317 172.359 174.600 0.127 0.000 1.346 136 S CA -0.981 57.227 58.200 0.013 0.000 1.034 136 S CB 0.883 64.097 63.200 0.024 0.000 0.879 136 S HN 0.150 nan 8.310 nan 0.000 0.528 137 P HA 0.242 nan 4.420 nan 0.000 0.268 137 P C -0.240 177.110 177.300 0.084 0.000 1.204 137 P CA 0.010 63.159 63.100 0.082 0.000 0.768 137 P CB 0.718 32.444 31.700 0.043 0.000 0.842 138 S N 1.657 117.377 115.700 0.034 0.000 2.727 138 S HA 0.405 4.875 4.470 0.000 0.000 0.278 138 S C 0.662 175.122 174.600 -0.234 0.000 1.186 138 S CA -0.758 57.393 58.200 -0.081 0.000 0.836 138 S CB 0.261 63.456 63.200 -0.008 0.000 1.186 138 S HN 0.340 nan 8.310 nan 0.000 0.499 139 I N -1.344 118.930 120.570 -0.493 0.000 3.684 139 I HA 0.442 4.612 4.170 0.000 0.000 0.304 139 I C -0.747 175.013 176.117 -0.594 0.000 1.278 139 I CA -0.230 60.766 61.300 -0.506 0.000 1.272 139 I CB -0.497 37.178 38.000 -0.542 0.000 1.029 139 I HN 0.277 nan 8.210 nan 0.000 0.458 140 F N 1.287 121.035 119.950 -0.335 0.000 2.379 140 F HA 0.573 5.100 4.527 0.000 0.000 0.332 140 F C 0.223 175.852 175.800 -0.286 0.000 1.096 140 F CA -0.928 56.830 58.000 -0.403 0.000 1.105 140 F CB 1.186 39.702 39.000 -0.808 0.000 1.189 140 F HN -0.335 nan 8.300 nan 0.000 0.515 141 V N 2.171 122.159 119.914 0.123 0.000 2.444 141 V HA 0.361 4.481 4.120 0.000 0.000 0.294 141 V C -0.313 175.915 176.094 0.223 0.000 1.022 141 V CA -0.748 61.633 62.300 0.135 0.000 0.850 141 V CB 1.664 33.536 31.823 0.080 0.000 0.992 141 V HN 0.827 nan 8.190 nan 0.000 0.426 142 S N 3.229 119.055 115.700 0.210 0.000 2.610 142 S HA 0.754 5.224 4.470 0.000 0.000 0.273 142 S C 0.218 174.845 174.600 0.045 0.000 1.274 142 S CA -0.462 57.841 58.200 0.170 0.000 1.023 142 S CB 1.526 64.796 63.200 0.116 0.000 0.962 142 S HN 1.007 nan 8.310 nan 0.000 0.523 143 T N -1.108 113.492 114.554 0.077 0.000 2.883 143 T HA 0.696 5.046 4.350 0.000 0.000 0.301 143 T C -0.645 174.063 174.700 0.013 0.000 1.158 143 T CA -0.745 61.371 62.100 0.027 0.000 1.007 143 T CB 1.828 70.746 68.868 0.084 0.000 1.186 143 T HN 0.456 nan 8.240 nan 0.000 0.499 144 T N 0.363 114.919 114.554 0.004 0.000 2.907 144 T HA 0.565 4.915 4.350 0.000 0.000 0.292 144 T C -0.521 174.201 174.700 0.036 0.000 1.043 144 T CA -0.860 61.241 62.100 0.002 0.000 1.003 144 T CB 1.069 69.950 68.868 0.021 0.000 1.084 144 T HN 0.721 nan 8.240 nan 0.000 0.483 145 R N 1.911 122.438 120.500 0.044 0.000 2.490 145 R HA 0.574 4.914 4.340 0.000 0.000 0.280 145 R C 0.400 176.732 176.300 0.053 0.000 1.077 145 R CA -0.551 55.580 56.100 0.051 0.000 1.065 145 R CB 0.531 30.865 30.300 0.057 0.000 1.003 145 R HN 0.715 nan 8.270 nan 0.000 0.470 146 A N 3.375 126.222 122.820 0.045 0.000 2.445 146 A HA 0.161 4.481 4.320 0.000 0.000 0.242 146 A C -0.003 177.552 177.584 -0.049 0.000 1.075 146 A CA -0.034 51.995 52.037 -0.014 0.000 0.777 146 A CB 0.351 19.381 19.000 0.051 0.000 1.013 146 A HN 0.684 nan 8.150 nan 0.000 0.493 147 R N 0.346 120.697 120.500 -0.248 0.000 2.514 147 R HA 0.578 4.918 4.340 0.000 0.000 0.301 147 R C -1.718 174.272 176.300 -0.517 0.000 0.962 147 R CA -0.241 55.743 56.100 -0.192 0.000 0.882 147 R CB 1.497 31.760 30.300 -0.061 0.000 1.143 147 R HN 0.750 nan 8.270 nan 0.000 0.452 148 Y N 0.748 121.079 120.300 0.052 0.000 2.545 148 Y HA 0.236 4.786 4.550 0.000 0.000 0.348 148 Y C 0.431 176.357 175.900 0.042 0.000 1.002 148 Y CA -1.107 57.023 58.100 0.050 0.000 1.039 148 Y CB 1.427 39.915 38.460 0.048 0.000 1.271 148 Y HN 0.677 nan 8.280 nan 0.000 0.467 149 N N 0.571 119.380 118.700 0.182 0.000 2.452 149 N HA 0.009 4.749 4.740 0.000 0.000 0.296 149 N C 0.561 176.141 175.510 0.117 0.000 1.304 149 N CA -0.139 52.981 53.050 0.116 0.000 0.956 149 N CB -0.033 38.502 38.487 0.080 0.000 1.106 149 N HN 0.703 nan 8.380 nan 0.000 0.555 150 N N -0.473 118.275 118.700 0.080 0.000 2.409 150 N HA -0.077 4.663 4.740 0.000 0.000 0.179 150 N C 1.125 176.670 175.510 0.059 0.000 1.032 150 N CA 0.686 53.774 53.050 0.063 0.000 0.898 150 N CB -0.376 38.139 38.487 0.046 0.000 0.971 150 N HN 0.551 nan 8.380 nan 0.000 0.441 151 L N -0.174 121.089 121.223 0.066 0.000 2.599 151 L HA 0.229 4.569 4.340 0.000 0.000 0.230 151 L C 1.176 178.088 176.870 0.070 0.000 1.141 151 L CA 0.420 55.296 54.840 0.059 0.000 0.877 151 L CB -0.534 41.559 42.059 0.058 0.000 1.009 151 L HN 0.342 nan 8.230 nan 0.000 0.447 152 G N 0.664 109.521 108.800 0.096 0.000 2.143 152 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 152 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 152 G C 0.131 175.162 174.900 0.219 0.000 0.991 152 G CA -0.118 45.040 45.100 0.097 0.000 0.689 152 G HN 0.249 nan 8.290 nan 0.000 0.522 153 L N 0.184 121.552 121.223 0.241 0.000 2.334 153 L HA 0.459 4.799 4.340 0.000 0.000 0.277 153 L C 0.936 177.970 176.870 0.274 0.000 1.075 153 L CA -0.746 54.241 54.840 0.245 0.000 0.804 153 L CB 1.329 43.468 42.059 0.133 0.000 1.174 153 L HN 0.269 nan 8.230 nan 0.000 0.438 154 E N 3.398 123.710 120.200 0.187 0.000 2.376 154 E HA 0.255 4.605 4.350 0.000 0.000 0.266 154 E C -0.753 175.794 176.600 -0.088 0.000 1.009 154 E CA -0.211 56.091 56.400 -0.163 0.000 0.902 154 E CB 0.790 30.394 29.700 -0.159 0.000 0.972 154 E HN 0.444 nan 8.360 nan 0.000 0.439 155 I N -0.073 120.408 120.570 -0.148 0.000 3.067 155 I HA 0.432 4.602 4.170 0.000 0.000 0.312 155 I C -0.134 175.957 176.117 -0.042 0.000 1.073 155 I CA -1.152 60.117 61.300 -0.052 0.000 1.016 155 I CB 1.766 39.755 38.000 -0.019 0.000 1.227 155 I HN 0.197 nan 8.210 nan 0.000 0.456 156 T N 4.190 118.745 114.554 0.003 0.000 2.866 156 T HA 0.138 4.488 4.350 0.000 0.000 0.293 156 T C -2.128 172.603 174.700 0.050 0.000 1.005 156 T CA -0.187 61.933 62.100 0.033 0.000 1.162 156 T CB -0.437 68.440 68.868 0.015 0.000 0.968 156 T HN 0.510 nan 8.240 nan 0.000 0.530 157 P HA 0.183 nan 4.420 nan 0.000 0.284 157 P C -0.488 176.950 177.300 0.230 0.000 1.292 157 P CA -1.109 62.099 63.100 0.179 0.000 0.800 157 P CB 0.700 32.544 31.700 0.239 0.000 1.188 158 W N 1.038 122.392 121.300 0.090 0.000 2.347 158 W HA 0.172 4.832 4.660 0.000 0.000 0.333 158 W C -0.854 175.703 176.519 0.064 0.000 1.383 158 W CA 1.201 58.563 57.345 0.028 0.000 1.283 158 W CB 0.002 29.473 29.460 0.018 0.000 1.253 158 W HN 0.164 nan 8.180 nan 0.000 0.563 159 T N 8.536 122.659 114.554 -0.719 0.000 2.876 159 T HA 0.348 4.698 4.350 0.000 0.000 0.289 159 T C -2.538 171.242 174.700 -1.532 0.000 1.014 159 T CA -1.397 60.095 62.100 -1.013 0.000 0.986 159 T CB 1.738 70.204 68.868 -0.671 0.000 1.021 159 T HN 0.130 nan 8.240 nan 0.000 0.458 160 P HA 0.228 nan 4.420 nan 0.000 0.271 160 P C 0.382 177.248 177.300 -0.722 0.000 1.218 160 P CA -0.120 62.363 63.100 -1.028 0.000 0.780 160 P CB 0.466 31.805 31.700 -0.602 0.000 0.901 161 H N 0.177 118.957 119.070 -0.483 0.000 2.421 161 H HA -0.109 4.447 4.556 0.000 0.000 0.298 161 H C 1.642 176.822 175.328 -0.246 0.000 1.087 161 H CA 1.639 57.486 56.048 -0.335 0.000 1.330 161 H CB 0.056 29.677 29.762 -0.236 0.000 1.388 161 H HN 0.427 nan 8.280 nan 0.000 0.526 162 S N 0.094 115.745 115.700 -0.081 0.000 2.631 162 S HA 0.220 4.690 4.470 0.000 0.000 0.217 162 S C 2.076 176.604 174.600 -0.119 0.000 0.958 162 S CA 0.137 58.308 58.200 -0.048 0.000 0.920 162 S CB 0.284 63.513 63.200 0.048 0.000 0.776 162 S HN 0.431 nan 8.310 nan 0.000 0.517 163 A N 2.816 125.475 122.820 -0.267 0.000 1.986 163 A HA -0.155 4.165 4.320 0.000 0.000 0.220 163 A C 1.972 179.427 177.584 -0.215 0.000 1.171 163 A CA 1.730 53.558 52.037 -0.347 0.000 0.640 163 A CB -0.982 17.588 19.000 -0.717 0.000 0.811 163 A HN 0.747 nan 8.150 nan 0.000 0.451 164 N N -0.510 118.092 118.700 -0.162 0.000 2.461 164 N HA -0.006 4.734 4.740 0.000 0.000 0.188 164 N C -0.649 174.837 175.510 -0.041 0.000 1.134 164 N CA -0.131 52.863 53.050 -0.094 0.000 0.878 164 N CB 0.003 38.438 38.487 -0.088 0.000 0.972 164 N HN 0.587 nan 8.380 nan 0.000 0.456 165 N N 0.834 119.512 118.700 -0.036 0.000 2.419 165 N HA 0.237 4.977 4.740 0.000 0.000 0.277 165 N C -0.506 175.009 175.510 0.007 0.000 1.006 165 N CA -0.528 52.516 53.050 -0.010 0.000 0.923 165 N CB 1.043 39.526 38.487 -0.006 0.000 1.140 165 N HN 0.090 nan 8.380 nan 0.000 0.488 166 N N 0.298 119.000 118.700 0.004 0.000 1.220 166 N HA -0.261 4.479 4.740 0.000 0.000 0.114 166 N C -1.018 174.489 175.510 -0.005 0.000 0.835 166 N CA 0.895 53.938 53.050 -0.012 0.000 0.863 166 N CB -0.472 38.009 38.487 -0.009 0.000 0.992 166 N HN 0.394 nan 8.380 nan 0.000 0.632 167 I N 0.968 121.521 120.570 -0.028 0.000 2.339 167 I HA 0.571 4.741 4.170 0.000 0.000 0.290 167 I C -0.428 175.708 176.117 0.031 0.000 0.994 167 I CA -0.354 60.926 61.300 -0.033 0.000 1.191 167 I CB 1.015 38.944 38.000 -0.118 0.000 1.343 167 I HN 0.322 nan 8.210 nan 0.000 0.458 168 I N 5.701 126.287 120.570 0.027 0.000 2.894 168 I HA 0.455 4.625 4.170 0.000 0.000 0.302 168 I C -1.536 174.607 176.117 0.044 0.000 1.188 168 I CA -0.556 60.840 61.300 0.160 0.000 1.014 168 I CB 2.531 40.697 38.000 0.277 0.000 1.242 168 I HN 0.359 nan 8.210 nan 0.000 0.430 169 Y N 4.669 125.191 120.300 0.369 0.000 2.468 169 Y HA 0.564 5.114 4.550 0.000 0.000 0.342 169 Y C -0.154 175.804 175.900 0.096 0.000 1.021 169 Y CA -0.675 57.512 58.100 0.146 0.000 1.079 169 Y CB 1.614 39.978 38.460 -0.161 0.000 1.226 169 Y HN 0.333 nan 8.280 nan 0.000 0.460 170 R N 3.066 123.542 120.500 -0.039 0.000 2.310 170 R HA 0.351 4.691 4.340 0.000 0.000 0.316 170 R C -1.780 174.292 176.300 -0.381 0.000 1.004 170 R CA -0.584 55.255 56.100 -0.436 0.000 0.900 170 R CB 0.339 30.201 30.300 -0.729 0.000 1.152 170 R HN 0.715 nan 8.270 nan 0.000 0.513 171 Y N 1.486 121.719 120.300 -0.113 0.000 2.309 171 Y HA 0.108 4.658 4.550 0.000 0.000 0.327 171 Y C 0.633 176.450 175.900 -0.138 0.000 1.172 171 Y CA 0.033 58.121 58.100 -0.020 0.000 1.280 171 Y CB 0.978 39.582 38.460 0.240 0.000 1.234 171 Y HN 0.434 nan 8.280 nan 0.000 0.512 172 E N 4.146 124.344 120.200 -0.004 0.000 2.133 172 E HA 0.515 4.865 4.350 0.000 0.000 0.274 172 E C -1.494 175.042 176.600 -0.106 0.000 0.930 172 E CA -0.372 55.939 56.400 -0.149 0.000 0.770 172 E CB 0.646 30.223 29.700 -0.206 0.000 1.104 172 E HN 0.614 nan 8.360 nan 0.000 0.403 173 I N 3.928 124.363 120.570 -0.225 0.000 2.689 173 I HA 0.405 4.575 4.170 0.000 0.000 0.299 173 I C -1.110 174.786 176.117 -0.368 0.000 1.059 173 I CA -0.867 60.360 61.300 -0.122 0.000 1.055 173 I CB 1.599 39.569 38.000 -0.050 0.000 1.243 173 I HN 0.478 nan 8.210 nan 0.000 0.425 174 F N 4.214 124.319 119.950 0.257 0.000 2.716 174 F HA 0.722 5.249 4.527 0.000 0.000 0.354 174 F C 0.057 176.008 175.800 0.253 0.000 1.168 174 F CA -0.394 57.779 58.000 0.288 0.000 1.045 174 F CB 1.729 40.977 39.000 0.413 0.000 1.311 174 F HN 0.440 nan 8.300 nan 0.000 0.477 175 A N 4.008 126.939 122.820 0.184 0.000 2.469 175 A HA 0.974 5.294 4.320 0.000 0.000 0.299 175 A C -2.973 174.546 177.584 -0.108 0.000 1.098 175 A CA -1.909 49.999 52.037 -0.215 0.000 0.737 175 A CB 2.082 20.868 19.000 -0.356 0.000 1.312 175 A HN 0.275 nan 8.150 nan 0.000 0.414 176 P HA 0.486 nan 4.420 nan 0.000 0.282 176 P C 0.677 177.994 177.300 0.028 0.000 1.249 176 P CA 1.374 64.403 63.100 -0.117 0.000 0.806 176 P CB 1.191 32.777 31.700 -0.190 0.000 0.984 177 G N 1.209 110.041 108.800 0.055 0.000 2.553 177 G HA2 0.302 4.262 3.960 0.000 0.000 0.242 177 G HA3 0.302 4.262 3.960 0.000 0.000 0.242 177 G C -0.038 174.800 174.900 -0.103 0.000 1.277 177 G CA 0.383 45.507 45.100 0.041 0.000 0.910 177 G HN 1.251 nan 8.290 nan 0.000 0.576 178 G N -1.947 106.647 108.800 -0.343 0.000 2.712 178 G HA2 0.344 4.304 3.960 0.000 0.000 0.686 178 G HA3 0.344 4.304 3.960 0.000 0.000 0.686 178 G C -0.433 174.300 174.900 -0.278 0.000 1.181 178 G CA -0.016 44.575 45.100 -0.850 0.000 0.762 178 G HN 1.591 nan 8.290 nan 0.000 0.641 179 I N 1.460 121.907 120.570 -0.205 0.000 2.342 179 I HA 0.209 4.379 4.170 0.000 0.000 0.291 179 I C 0.134 176.222 176.117 -0.048 0.000 1.010 179 I CA -0.507 60.769 61.300 -0.042 0.000 1.308 179 I CB 1.500 39.514 38.000 0.022 0.000 1.400 179 I HN 0.494 nan 8.210 nan 0.000 0.488 180 D N 7.616 128.025 120.400 0.015 0.000 2.402 180 D HA 0.088 4.728 4.640 0.000 0.000 0.235 180 D C 1.150 177.471 176.300 0.034 0.000 1.226 180 D CA -0.220 53.809 54.000 0.050 0.000 0.918 180 D CB 0.787 41.677 40.800 0.151 0.000 1.043 180 D HN 0.313 nan 8.370 nan 0.000 0.506 181 I N 3.494 124.094 120.570 0.050 0.000 2.127 181 I HA -0.287 3.883 4.170 0.000 0.000 0.241 181 I C 1.766 177.975 176.117 0.153 0.000 1.075 181 I CA 0.908 62.288 61.300 0.133 0.000 1.334 181 I CB -0.956 37.131 38.000 0.145 0.000 1.040 181 I HN 0.389 nan 8.210 nan 0.000 0.405 182 N N 1.126 119.874 118.700 0.081 0.000 2.289 182 N HA -0.091 4.649 4.740 0.000 0.000 0.184 182 N C 1.678 177.194 175.510 0.009 0.000 1.016 182 N CA 1.411 54.498 53.050 0.062 0.000 0.872 182 N CB -0.223 38.281 38.487 0.028 0.000 0.973 182 N HN 0.402 nan 8.380 nan 0.000 0.433 183 A N -0.753 122.034 122.820 -0.055 0.000 2.218 183 A HA 0.178 4.498 4.320 0.000 0.000 0.209 183 A C 1.927 179.417 177.584 -0.157 0.000 1.168 183 A CA 0.410 52.347 52.037 -0.166 0.000 0.804 183 A CB 0.071 18.844 19.000 -0.378 0.000 0.834 183 A HN 0.156 nan 8.150 nan 0.000 0.482 184 S N -0.988 114.601 115.700 -0.185 0.000 2.503 184 S HA 0.367 4.837 4.470 0.000 0.000 0.215 184 S C -0.280 173.884 174.600 -0.727 0.000 1.003 184 S CA 0.067 57.989 58.200 -0.465 0.000 0.910 184 S CB -0.047 62.740 63.200 -0.689 0.000 0.790 184 S HN 0.416 nan 8.310 nan 0.000 0.514 185 F N 1.378 121.312 119.950 -0.026 0.000 2.551 185 F HA 0.442 4.969 4.527 0.000 0.000 0.316 185 F C 0.208 176.011 175.800 0.006 0.000 1.089 185 F CA -1.224 56.766 58.000 -0.017 0.000 0.915 185 F CB 1.272 40.263 39.000 -0.015 0.000 1.186 185 F HN -0.288 nan 8.300 nan 0.000 0.456 186 S N 3.084 118.925 115.700 0.234 0.000 2.498 186 S HA 0.129 4.599 4.470 0.000 0.000 0.281 186 S C 1.340 176.056 174.600 0.193 0.000 1.265 186 S CA -0.624 57.689 58.200 0.189 0.000 1.071 186 S CB 0.506 63.845 63.200 0.233 0.000 0.894 186 S HN 0.631 nan 8.310 nan 0.000 0.491 187 R N 2.806 123.370 120.500 0.107 0.000 2.323 187 R HA -0.276 4.064 4.340 0.000 0.000 0.259 187 R C 0.817 177.117 176.300 0.000 0.000 1.104 187 R CA 1.973 58.103 56.100 0.049 0.000 0.961 187 R CB -0.511 29.805 30.300 0.027 0.000 0.929 187 R HN 0.563 nan 8.270 nan 0.000 0.457 188 N N -0.300 118.388 118.700 -0.019 0.000 2.398 188 N HA -0.019 4.721 4.740 0.000 0.000 0.188 188 N C 0.186 175.471 175.510 -0.375 0.000 1.122 188 N CA 0.738 53.679 53.050 -0.183 0.000 0.866 188 N CB 0.302 38.660 38.487 -0.215 0.000 0.970 188 N HN 0.475 nan 8.380 nan 0.000 0.462 189 H N -1.961 117.108 119.070 -0.001 0.000 3.078 189 H HA 0.234 4.790 4.556 0.000 0.000 0.263 189 H C -0.383 174.842 175.328 -0.172 0.000 1.177 189 H CA -0.404 55.624 56.048 -0.033 0.000 1.128 189 H CB 0.365 30.170 29.762 0.071 0.000 1.623 189 H HN -0.047 nan 8.280 nan 0.000 0.592 190 N N 1.790 120.439 118.700 -0.084 0.000 2.485 190 N HA 0.117 4.857 4.740 0.000 0.000 0.243 190 N C -1.905 173.424 175.510 -0.301 0.000 0.987 190 N CA -2.357 50.574 53.050 -0.199 0.000 0.940 190 N CB 1.563 40.054 38.487 0.006 0.000 1.122 190 N HN -0.069 nan 8.380 nan 0.000 0.509 191 P HA -0.065 nan 4.420 nan 0.000 0.215 191 P C -0.574 176.149 177.300 -0.961 0.000 1.163 191 P CA 1.522 64.173 63.100 -0.748 0.000 0.894 191 P CB 0.094 31.357 31.700 -0.728 0.000 0.791 192 F N -2.347 117.511 119.950 -0.153 0.000 2.809 192 F HA 0.296 4.823 4.527 0.000 0.000 0.369 192 F C -1.728 174.000 175.800 -0.120 0.000 1.225 192 F CA -2.109 55.804 58.000 -0.145 0.000 1.201 192 F CB 0.893 39.766 39.000 -0.210 0.000 1.527 192 F HN -0.063 nan 8.300 nan 0.000 0.565 193 P HA -0.137 nan 4.420 nan 0.000 0.218 193 P C 1.042 178.366 177.300 0.039 0.000 1.149 193 P CA 1.207 64.329 63.100 0.035 0.000 0.817 193 P CB 0.452 32.169 31.700 0.028 0.000 0.785 194 N N 0.462 119.207 118.700 0.075 0.000 2.334 194 N HA -0.187 4.553 4.740 0.000 0.000 0.187 194 N C 1.716 177.286 175.510 0.100 0.000 1.016 194 N CA 1.012 54.125 53.050 0.105 0.000 0.879 194 N CB -0.639 37.931 38.487 0.139 0.000 0.965 194 N HN 0.447 nan 8.380 nan 0.000 0.438 195 E N 0.654 120.794 120.200 -0.099 0.000 2.358 195 E HA -0.091 4.259 4.350 0.000 0.000 0.195 195 E C -0.676 175.768 176.600 -0.259 0.000 1.010 195 E CA 0.115 56.228 56.400 -0.478 0.000 0.856 195 E CB 0.151 29.368 29.700 -0.806 0.000 0.795 195 E HN 0.161 nan 8.360 nan 0.000 0.504 196 D N 1.750 122.095 120.400 -0.093 0.000 2.697 196 D HA -0.209 4.431 4.640 0.000 0.000 0.235 196 D C -0.631 175.637 176.300 -0.052 0.000 1.167 196 D CA 0.794 54.773 54.000 -0.035 0.000 0.656 196 D CB -1.405 39.403 40.800 0.013 0.000 1.025 196 D HN 0.450 nan 8.370 nan 0.000 0.419 197 Q N -0.463 119.292 119.800 -0.075 0.000 2.340 197 Q HA 0.390 4.730 4.340 0.000 0.000 0.249 197 Q C 0.390 176.392 176.000 0.004 0.000 0.957 197 Q CA -0.213 55.558 55.803 -0.052 0.000 0.882 197 Q CB 1.190 29.894 28.738 -0.057 0.000 1.235 197 Q HN 0.213 nan 8.270 nan 0.000 0.439 198 I N 2.405 122.995 120.570 0.034 0.000 2.418 198 I HA 0.261 4.431 4.170 0.000 0.000 0.287 198 I C -0.283 175.853 176.117 0.031 0.000 1.008 198 I CA -0.356 60.946 61.300 0.003 0.000 1.104 198 I CB 1.507 39.541 38.000 0.058 0.000 1.264 198 I HN 0.481 nan 8.210 nan 0.000 0.438 199 T N 6.618 121.124 114.554 -0.081 0.000 2.824 199 T HA 0.595 4.945 4.350 0.000 0.000 0.280 199 T C -0.492 174.115 174.700 -0.155 0.000 0.995 199 T CA -0.216 61.906 62.100 0.036 0.000 1.009 199 T CB 0.858 69.753 68.868 0.044 0.000 0.955 199 T HN 0.134 nan 8.240 nan 0.000 0.452 200 F N 3.957 123.970 119.950 0.104 0.000 2.366 200 F HA 0.362 4.889 4.527 0.000 0.000 0.366 200 F C -2.269 173.566 175.800 0.058 0.000 1.096 200 F CA -2.602 55.434 58.000 0.060 0.000 1.060 200 F CB 1.468 40.472 39.000 0.007 0.000 1.282 200 F HN 0.277 nan 8.300 nan 0.000 0.450 201 P HA 0.216 nan 4.420 nan 0.000 0.271 201 P C 0.768 177.956 177.300 -0.187 0.000 1.233 201 P CA 0.557 63.644 63.100 -0.021 0.000 0.764 201 P CB 1.003 32.672 31.700 -0.052 0.000 0.825 202 G N 2.376 111.021 108.800 -0.257 0.000 2.175 202 G HA2 0.040 4.000 3.960 0.000 0.000 0.244 202 G HA3 0.040 4.000 3.960 0.000 0.000 0.244 202 G C 0.550 175.362 174.900 -0.147 0.000 0.982 202 G CA 0.210 45.136 45.100 -0.290 0.000 0.641 202 G HN 0.986 nan 8.290 nan 0.000 0.527 203 G N -0.885 107.898 108.800 -0.028 0.000 2.681 203 G HA2 0.118 4.078 3.960 0.000 0.000 0.220 203 G HA3 0.118 4.078 3.960 0.000 0.000 0.220 203 G C -0.349 174.566 174.900 0.026 0.000 1.353 203 G CA -0.064 45.055 45.100 0.032 0.000 0.872 203 G HN 1.409 nan 8.290 nan 0.000 0.557 204 I N 0.484 121.075 120.570 0.035 0.000 2.499 204 I HA 0.407 4.577 4.170 0.000 0.000 0.288 204 I C 0.720 176.893 176.117 0.093 0.000 1.048 204 I CA -0.832 60.488 61.300 0.033 0.000 1.062 204 I CB 1.980 39.950 38.000 -0.050 0.000 1.238 204 I HN 0.515 nan 8.210 nan 0.000 0.426 205 R N 6.258 126.865 120.500 0.178 0.000 2.641 205 R HA 0.180 4.520 4.340 0.000 0.000 0.269 205 R C -1.398 174.860 176.300 -0.070 0.000 1.074 205 R CA -1.287 54.830 56.100 0.028 0.000 1.133 205 R CB 0.531 30.832 30.300 0.002 0.000 1.029 205 R HN 0.375 nan 8.270 nan 0.000 0.488 206 P HA -0.206 nan 4.420 nan 0.000 0.220 206 P C 0.657 177.828 177.300 -0.215 0.000 1.148 206 P CA 1.319 64.295 63.100 -0.206 0.000 0.803 206 P CB 0.088 31.663 31.700 -0.207 0.000 0.782 207 E N -0.397 119.589 120.200 -0.356 0.000 2.409 207 E HA -0.133 4.217 4.350 0.000 0.000 0.198 207 E C 0.785 177.128 176.600 -0.429 0.000 1.024 207 E CA 0.808 56.939 56.400 -0.447 0.000 0.861 207 E CB -0.850 28.500 29.700 -0.583 0.000 0.788 207 E HN 0.254 nan 8.360 nan 0.000 0.521 208 F N 1.048 121.046 119.950 0.081 0.000 2.727 208 F HA 0.354 4.881 4.527 0.000 0.000 0.302 208 F C 0.871 176.879 175.800 0.345 0.000 1.097 208 F CA -0.393 57.740 58.000 0.222 0.000 1.330 208 F CB 0.196 39.246 39.000 0.083 0.000 1.084 208 F HN -0.134 nan 8.300 nan 0.000 0.578 209 I N 0.383 121.147 120.570 0.323 0.000 2.330 209 I HA 0.285 4.455 4.170 0.000 0.000 0.286 209 I C 1.340 177.450 176.117 -0.011 0.000 1.025 209 I CA -0.374 61.024 61.300 0.164 0.000 1.197 209 I CB 1.644 39.702 38.000 0.095 0.000 1.358 209 I HN -0.018 nan 8.210 nan 0.000 0.467 210 R N 4.033 124.397 120.500 -0.227 0.000 2.080 210 R HA 0.023 4.364 4.340 0.000 0.000 0.222 210 R C 0.567 176.682 176.300 -0.308 0.000 1.107 210 R CA 1.152 56.884 56.100 -0.615 0.000 0.980 210 R CB 0.398 30.076 30.300 -1.036 0.000 0.879 210 R HN 0.842 nan 8.270 nan 0.000 0.439 211 S N -2.553 113.093 115.700 -0.090 0.000 2.703 211 S HA 0.393 4.863 4.470 0.000 0.000 0.273 211 S C -0.877 173.833 174.600 0.183 0.000 1.178 211 S CA -0.758 57.495 58.200 0.088 0.000 0.838 211 S CB 2.008 65.186 63.200 -0.036 0.000 1.178 211 S HN -0.001 nan 8.310 nan 0.000 0.494 212 T N 0.230 114.863 114.554 0.131 0.000 2.942 212 T HA 0.589 4.939 4.350 0.000 0.000 0.327 212 T C -2.333 172.383 174.700 0.028 0.000 1.360 212 T CA -0.388 61.613 62.100 -0.165 0.000 1.055 212 T CB 0.917 69.340 68.868 -0.742 0.000 1.261 212 T HN 0.520 nan 8.240 nan 0.000 0.485 213 Y N 2.184 122.394 120.300 -0.149 0.000 2.330 213 Y HA 0.492 5.042 4.550 0.000 0.000 0.336 213 Y C 0.587 176.356 175.900 -0.217 0.000 1.036 213 Y CA -1.596 56.361 58.100 -0.239 0.000 1.125 213 Y CB 1.311 39.498 38.460 -0.455 0.000 1.194 213 Y HN 0.629 nan 8.280 nan 0.000 0.469 214 E N 3.618 123.804 120.200 -0.025 0.000 2.109 214 E HA 0.313 4.663 4.350 0.000 0.000 0.278 214 E C -1.751 174.674 176.600 -0.292 0.000 0.954 214 E CA -0.400 55.908 56.400 -0.153 0.000 0.779 214 E CB 0.519 30.311 29.700 0.153 0.000 1.093 214 E HN 0.532 nan 8.360 nan 0.000 0.401 215 Y N 2.356 122.598 120.300 -0.096 0.000 2.387 215 Y HA 0.325 4.875 4.550 0.000 0.000 0.336 215 Y C -0.127 175.874 175.900 0.168 0.000 1.067 215 Y CA -0.542 57.566 58.100 0.013 0.000 1.114 215 Y CB 1.602 40.118 38.460 0.093 0.000 1.208 215 Y HN 0.498 nan 8.280 nan 0.000 0.458 216 H N 2.143 121.278 119.070 0.108 0.000 2.727 216 H HA 0.250 4.806 4.556 0.000 0.000 0.330 216 H C -0.506 174.861 175.328 0.064 0.000 0.986 216 H CA -1.123 54.958 56.048 0.054 0.000 1.251 216 H CB 0.898 30.676 29.762 0.027 0.000 1.493 216 H HN 0.819 nan 8.280 nan 0.000 0.515 217 N N 2.287 121.076 118.700 0.148 0.000 2.725 217 N HA -0.248 4.492 4.740 0.000 0.000 0.249 217 N C 1.008 176.561 175.510 0.072 0.000 1.103 217 N CA 0.367 53.466 53.050 0.080 0.000 0.707 217 N CB -0.735 37.791 38.487 0.066 0.000 1.043 217 N HN 1.094 nan 8.380 nan 0.000 0.553 218 G N -1.374 107.481 108.800 0.093 0.000 2.159 218 G HA2 -0.311 3.649 3.960 0.000 0.000 0.256 218 G HA3 -0.311 3.649 3.960 0.000 0.000 0.256 218 G C -0.356 174.657 174.900 0.189 0.000 0.977 218 G CA 0.479 45.606 45.100 0.045 0.000 0.652 218 G HN 0.424 nan 8.290 nan 0.000 0.531 219 E N -0.038 120.310 120.200 0.248 0.000 2.199 219 E HA 0.535 4.885 4.350 0.000 0.000 0.269 219 E C 0.580 177.251 176.600 0.118 0.000 0.899 219 E CA -0.867 55.644 56.400 0.185 0.000 0.772 219 E CB 1.492 31.235 29.700 0.071 0.000 1.155 219 E HN 0.368 nan 8.360 nan 0.000 0.408 220 I N 2.471 122.999 120.570 -0.070 0.000 2.533 220 I HA -0.053 4.117 4.170 0.000 0.000 0.284 220 I C 1.515 177.450 176.117 -0.304 0.000 1.109 220 I CA 0.021 61.078 61.300 -0.406 0.000 1.412 220 I CB 0.414 38.067 38.000 -0.578 0.000 1.396 220 I HN 0.349 nan 8.210 nan 0.000 0.543 221 V N 2.779 122.478 119.914 -0.360 0.000 3.604 221 V HA 0.417 4.537 4.120 0.000 0.000 0.277 221 V C 0.448 176.360 176.094 -0.303 0.000 1.399 221 V CA -0.095 62.002 62.300 -0.339 0.000 1.034 221 V CB 0.074 31.580 31.823 -0.528 0.000 0.824 221 V HN 0.878 nan 8.190 nan 0.000 0.439 222 R N -0.292 120.024 120.500 -0.306 0.000 2.664 222 R HA 0.647 4.987 4.340 0.000 0.000 0.260 222 R C -2.274 173.870 176.300 -0.260 0.000 1.062 222 R CA -0.687 55.225 56.100 -0.313 0.000 0.902 222 R CB 2.030 32.117 30.300 -0.355 0.000 1.258 222 R HN 0.291 nan 8.270 nan 0.000 0.465 223 I N 2.811 123.207 120.570 -0.291 0.000 2.389 223 I HA 0.400 4.570 4.170 0.000 0.000 0.288 223 I C -1.033 174.952 176.117 -0.221 0.000 0.999 223 I CA -0.481 60.757 61.300 -0.104 0.000 1.129 223 I CB 1.451 39.423 38.000 -0.047 0.000 1.288 223 I HN 0.470 nan 8.210 nan 0.000 0.444 224 W N 7.007 128.303 121.300 -0.007 0.000 2.478 224 W HA 0.549 5.209 4.660 0.000 0.000 0.318 224 W C -0.482 176.064 176.519 0.045 0.000 1.062 224 W CA -0.550 56.813 57.345 0.030 0.000 1.210 224 W CB 1.210 30.720 29.460 0.083 0.000 1.325 224 W HN 0.090 nan 8.180 nan 0.000 0.496 225 I N 3.626 124.269 120.570 0.122 0.000 2.377 225 I HA 0.123 4.293 4.170 0.000 0.000 0.293 225 I C -0.193 175.940 176.117 0.026 0.000 0.987 225 I CA -1.131 60.112 61.300 -0.095 0.000 1.185 225 I CB 1.313 38.952 38.000 -0.602 0.000 1.341 225 I HN 0.391 nan 8.210 nan 0.000 0.455 226 N N 8.542 127.094 118.700 -0.247 0.000 2.469 226 N HA 0.296 5.036 4.740 0.000 0.000 0.239 226 N C -1.997 173.518 175.510 0.009 0.000 1.053 226 N CA -2.066 50.727 53.050 -0.429 0.000 0.937 226 N CB 1.421 39.288 38.487 -1.033 0.000 1.163 226 N HN 0.208 nan 8.380 nan 0.000 0.509 227 P HA -0.016 nan 4.420 nan 0.000 0.222 227 P C 0.067 177.477 177.300 0.184 0.000 1.147 227 P CA 0.915 64.181 63.100 0.278 0.000 0.790 227 P CB 0.309 32.212 31.700 0.339 0.000 0.780 228 N N -1.058 117.724 118.700 0.137 0.000 2.314 228 N HA 0.019 4.759 4.740 0.000 0.000 0.200 228 N C 0.160 175.678 175.510 0.013 0.000 1.135 228 N CA -0.152 52.938 53.050 0.066 0.000 0.835 228 N CB -0.471 38.056 38.487 0.067 0.000 0.989 228 N HN 0.159 nan 8.380 nan 0.000 0.478 229 F N 1.655 121.551 119.950 -0.091 0.000 2.607 229 F HA -0.039 4.488 4.527 0.000 0.000 0.374 229 F C 1.690 177.451 175.800 -0.065 0.000 1.104 229 F CA -0.727 57.215 58.000 -0.096 0.000 1.296 229 F CB 0.607 39.576 39.000 -0.052 0.000 1.085 229 F HN -0.127 nan 8.300 nan 0.000 0.584 230 I N 3.937 123.964 120.570 -0.905 0.000 2.290 230 I HA -0.311 3.859 4.170 0.000 0.000 0.253 230 I C 0.825 176.612 176.117 -0.551 0.000 1.112 230 I CA 1.599 62.490 61.300 -0.682 0.000 1.377 230 I CB -0.946 36.702 38.000 -0.587 0.000 1.060 230 I HN 0.710 nan 8.210 nan 0.000 0.428 231 N N -0.367 117.888 118.700 -0.743 0.000 2.804 231 N HA 0.237 4.977 4.740 0.000 0.000 0.251 231 N C -2.070 173.481 175.510 0.068 0.000 1.250 231 N CA -1.280 51.638 53.050 -0.220 0.000 0.820 231 N CB 1.056 39.468 38.487 -0.125 0.000 1.156 231 N HN -0.100 nan 8.380 nan 0.000 0.512 232 P HA -0.129 nan 4.420 nan 0.000 0.225 232 P C 1.119 178.497 177.300 0.130 0.000 1.148 232 P CA 0.920 64.107 63.100 0.145 0.000 0.779 232 P CB 0.137 31.889 31.700 0.087 0.000 0.780 233 S N -1.263 114.488 115.700 0.085 0.000 2.481 233 S HA -0.084 4.386 4.470 0.000 0.000 0.231 233 S C 1.673 176.320 174.600 0.078 0.000 0.996 233 S CA 1.405 59.646 58.200 0.067 0.000 0.942 233 S CB -1.742 61.480 63.200 0.036 0.000 0.768 233 S HN 0.317 nan 8.310 nan 0.000 0.520 234 T N -0.367 114.252 114.554 0.108 0.000 3.107 234 T HA 0.335 4.685 4.350 0.000 0.000 0.249 234 T C 1.551 176.302 174.700 0.085 0.000 1.096 234 T CA -0.126 62.024 62.100 0.083 0.000 1.012 234 T CB -0.631 68.276 68.868 0.065 0.000 0.977 234 T HN 0.354 nan 8.240 nan 0.000 0.527 235 L N 1.069 122.370 121.223 0.130 0.000 2.129 235 L HA -0.119 4.221 4.340 0.000 0.000 0.212 235 L C 2.272 179.205 176.870 0.106 0.000 1.087 235 L CA 1.605 56.519 54.840 0.122 0.000 0.757 235 L CB -0.841 41.345 42.059 0.212 0.000 0.896 235 L HN 0.373 nan 8.230 nan 0.000 0.434 236 N N -0.473 118.294 118.700 0.112 0.000 2.512 236 N HA -0.129 4.611 4.740 0.000 0.000 0.183 236 N C 0.865 176.417 175.510 0.070 0.000 1.073 236 N CA 0.446 53.556 53.050 0.100 0.000 0.911 236 N CB 0.084 38.626 38.487 0.092 0.000 0.964 236 N HN 0.291 nan 8.380 nan 0.000 0.447 237 D N 0.036 120.470 120.400 0.056 0.000 2.355 237 D HA 0.002 4.642 4.640 0.000 0.000 0.218 237 D C -0.010 176.324 176.300 0.058 0.000 1.004 237 D CA 0.246 54.276 54.000 0.050 0.000 0.880 237 D CB 0.147 40.967 40.800 0.034 0.000 0.911 237 D HN -0.017 nan 8.370 nan 0.000 0.528 238 V N 2.228 122.170 119.914 0.046 0.000 2.493 238 V HA 0.024 4.144 4.120 0.000 0.000 0.292 238 V C 0.897 177.036 176.094 0.076 0.000 1.016 238 V CA -0.112 62.216 62.300 0.047 0.000 1.097 238 V CB 0.526 32.352 31.823 0.004 0.000 0.947 238 V HN 0.133 nan 8.190 nan 0.000 0.479 239 S N 3.852 119.619 115.700 0.112 0.000 2.687 239 S HA 0.970 5.440 4.470 0.000 0.000 0.283 239 S C 0.083 174.793 174.600 0.184 0.000 1.170 239 S CA -0.044 58.233 58.200 0.129 0.000 1.008 239 S CB 2.096 65.381 63.200 0.141 0.000 1.026 239 S HN 1.408 nan 8.310 nan 0.000 0.541 240 G N -0.003 108.856 108.800 0.099 0.000 2.328 240 G HA2 0.512 4.472 3.960 0.000 0.000 0.295 240 G HA3 0.512 4.472 3.960 0.000 0.000 0.295 240 G C -3.435 171.436 174.900 -0.050 0.000 1.413 240 G CA -0.957 44.140 45.100 -0.005 0.000 0.817 240 G HN 0.661 nan 8.290 nan 0.000 0.546 241 P HA 0.358 nan 4.420 nan 0.000 0.271 241 P C 0.304 177.564 177.300 -0.067 0.000 1.244 241 P CA -0.243 62.807 63.100 -0.083 0.000 0.793 241 P CB 0.475 32.105 31.700 -0.117 0.000 0.984 242 S N 0.295 115.967 115.700 -0.046 0.000 2.586 242 S HA 0.281 4.751 4.470 0.000 0.000 0.274 242 S C 0.424 174.996 174.600 -0.047 0.000 1.281 242 S CA -0.443 57.735 58.200 -0.035 0.000 1.035 242 S CB 0.311 63.500 63.200 -0.018 0.000 0.962 242 S HN 0.550 nan 8.310 nan 0.000 0.512 243 N N -0.413 118.263 118.700 -0.041 0.000 2.776 243 N HA -0.155 4.585 4.740 0.000 0.000 0.249 243 N C -1.147 174.322 175.510 -0.069 0.000 1.111 243 N CA 0.553 53.575 53.050 -0.045 0.000 0.711 243 N CB -1.671 36.794 38.487 -0.036 0.000 1.065 243 N HN 0.772 nan 8.380 nan 0.000 0.556 244 I N 0.330 120.845 120.570 -0.091 0.000 2.392 244 I HA 0.180 4.350 4.170 0.000 0.000 0.295 244 I C 0.707 176.744 176.117 -0.133 0.000 0.985 244 I CA -0.604 60.619 61.300 -0.129 0.000 1.221 244 I CB 1.534 39.429 38.000 -0.176 0.000 1.366 244 I HN 0.168 nan 8.210 nan 0.000 0.467 245 S N 6.330 121.940 115.700 -0.150 0.000 2.673 245 S HA -0.045 4.425 4.470 0.000 0.000 0.308 245 S C -0.177 174.290 174.600 -0.223 0.000 1.246 245 S CA 0.206 58.307 58.200 -0.166 0.000 1.077 245 S CB -0.102 62.984 63.200 -0.191 0.000 0.814 245 S HN 0.532 nan 8.310 nan 0.000 0.503 246 K N 4.773 125.065 120.400 -0.180 0.000 2.358 246 K HA 0.589 4.909 4.320 0.000 0.000 0.260 246 K C -1.516 174.948 176.600 -0.225 0.000 0.956 246 K CA -0.746 55.414 56.287 -0.212 0.000 0.834 246 K CB 1.167 33.599 32.500 -0.113 0.000 1.102 246 K HN 0.466 nan 8.250 nan 0.000 0.431 247 V N 5.174 124.843 119.914 -0.410 0.000 2.604 247 V HA 0.437 4.557 4.120 0.000 0.000 0.305 247 V C -0.808 175.161 176.094 -0.208 0.000 1.043 247 V CA -0.836 61.265 62.300 -0.332 0.000 0.888 247 V CB 1.393 32.728 31.823 -0.813 0.000 0.995 247 V HN 0.629 nan 8.190 nan 0.000 0.429 248 F N 3.099 123.117 119.950 0.113 0.000 2.404 248 F HA 0.326 4.853 4.527 0.000 0.000 0.358 248 F C 0.221 176.261 175.800 0.400 0.000 1.120 248 F CA -0.064 58.091 58.000 0.259 0.000 1.144 248 F CB 0.668 39.788 39.000 0.199 0.000 1.133 248 F HN 0.614 nan 8.300 nan 0.000 0.495 249 W N 5.823 127.380 121.300 0.429 0.000 2.150 249 W HA 0.352 5.012 4.660 0.000 0.000 0.341 249 W C -0.423 176.342 176.519 0.409 0.000 1.276 249 W CA 0.154 57.768 57.345 0.449 0.000 1.238 249 W CB 0.345 30.144 29.460 0.565 0.000 1.128 249 W HN 0.639 nan 8.180 nan 0.000 0.581 250 H N 0.591 119.216 119.070 -0.740 0.000 3.037 250 H HA 0.387 4.943 4.556 0.000 0.000 0.355 250 H C -1.030 173.294 175.328 -1.673 0.000 1.263 250 H CA -1.269 54.189 56.048 -0.983 0.000 1.129 250 H CB 0.676 30.254 29.762 -0.306 0.000 1.861 250 H HN 0.482 nan 8.280 nan 0.000 0.546 251 E N 0.815 120.393 120.200 -1.037 0.000 2.568 251 E HA -0.098 4.252 4.350 0.000 0.000 0.262 251 E C -0.316 176.177 176.600 -0.179 0.000 0.961 251 E CA 0.858 56.975 56.400 -0.472 0.000 0.945 251 E CB -0.024 29.616 29.700 -0.100 0.000 0.924 251 E HN 0.828 nan 8.360 nan 0.000 0.467 252 N N 1.260 119.937 118.700 -0.039 0.000 2.725 252 N HA -0.240 4.500 4.740 0.000 0.000 0.249 252 N C -0.322 175.177 175.510 -0.017 0.000 1.103 252 N CA 0.114 53.175 53.050 0.019 0.000 0.707 252 N CB -0.958 37.550 38.487 0.035 0.000 1.043 252 N HN 0.492 nan 8.380 nan 0.000 0.553 253 H N 1.146 120.052 119.070 -0.273 0.000 3.001 253 H HA 0.041 4.597 4.556 0.000 0.000 0.334 253 H C 1.530 176.863 175.328 0.008 0.000 1.034 253 H CA 1.467 57.326 56.048 -0.315 0.000 1.420 253 H CB 0.898 30.468 29.762 -0.320 0.000 1.405 253 H HN 0.382 nan 8.280 nan 0.000 0.593 254 S N 2.911 118.605 115.700 -0.009 0.000 2.419 254 S HA -0.165 4.305 4.470 0.000 0.000 0.235 254 S C 1.126 175.909 174.600 0.304 0.000 1.019 254 S CA 1.606 59.890 58.200 0.141 0.000 0.982 254 S CB 0.044 63.282 63.200 0.063 0.000 0.789 254 S HN 0.751 nan 8.310 nan 0.000 0.490 255 E N 0.363 120.919 120.200 0.594 0.000 2.501 255 E HA 0.288 4.638 4.350 0.000 0.000 0.200 255 E C 1.156 178.082 176.600 0.542 0.000 1.016 255 E CA 0.081 56.782 56.400 0.503 0.000 0.921 255 E CB 0.421 30.399 29.700 0.462 0.000 1.034 255 E HN 0.626 nan 8.360 nan 0.000 0.468 256 G N 0.353 109.363 108.800 0.351 0.000 3.314 256 G HA2 -0.033 3.927 3.960 0.000 0.000 0.238 256 G HA3 -0.033 3.927 3.960 0.000 0.000 0.238 256 G C 0.599 175.443 174.900 -0.094 0.000 1.184 256 G CA -0.176 44.856 45.100 -0.112 0.000 0.806 256 G HN 0.089 nan 8.290 nan 0.000 0.536 257 N N -0.014 118.719 118.700 0.054 0.000 2.197 257 N HA 0.095 4.835 4.740 0.000 0.000 0.228 257 N C 0.253 175.809 175.510 0.076 0.000 1.212 257 N CA -0.529 52.539 53.050 0.030 0.000 0.883 257 N CB 0.562 39.079 38.487 0.050 0.000 1.107 257 N HN 0.076 nan 8.380 nan 0.000 0.519 271 N N 5.240 123.663 118.700 -0.462 0.000 2.527 271 N HA 0.159 4.899 4.740 0.000 0.000 0.236 271 N C 0.591 175.651 175.510 -0.750 0.000 0.999 271 N CA -0.038 52.764 53.050 -0.415 0.000 0.935 271 N CB 1.251 39.686 38.487 -0.087 0.000 1.132 271 N HN 0.890 nan 8.380 nan 0.000 0.511 272 Q N 1.228 120.547 119.800 -0.802 0.000 2.364 272 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 272 Q C -0.615 175.347 176.000 -0.063 0.000 0.977 272 Q CA 1.183 56.703 55.803 -0.473 0.000 0.885 272 Q CB 0.160 28.848 28.738 -0.084 0.000 0.941 272 Q HN 0.377 nan 8.270 nan 0.000 0.464 273 D N -0.242 120.145 120.400 -0.021 0.000 2.363 273 D HA 0.068 4.708 4.640 0.000 0.000 0.214 273 D C 0.795 177.174 176.300 0.131 0.000 1.093 273 D CA -0.243 53.808 54.000 0.085 0.000 0.837 273 D CB -0.151 40.711 40.800 0.103 0.000 0.948 273 D HN 0.164 nan 8.370 nan 0.000 0.507 274 F N 1.744 121.692 119.950 -0.004 0.000 2.126 274 F HA -0.161 4.366 4.527 0.000 0.000 0.299 274 F C 0.968 176.853 175.800 0.142 0.000 1.096 274 F CA 1.157 59.189 58.000 0.055 0.000 1.255 274 F CB 0.264 39.283 39.000 0.031 0.000 0.997 274 F HN -0.185 nan 8.300 nan 0.000 0.479 278 A N 5.348 127.703 122.820 -0.775 0.000 1.896 278 A HA -0.090 4.230 4.320 0.000 0.000 0.220 278 A C -1.048 176.097 177.584 -0.732 0.000 1.206 278 A CA 2.464 54.055 52.037 -0.744 0.000 0.647 278 A CB -1.870 16.688 19.000 -0.736 0.000 0.828 278 A HN 0.610 nan 8.150 nan 0.000 0.455 279 P HA -0.050 nan 4.420 nan 0.000 0.228 279 P C 0.257 177.293 177.300 -0.440 0.000 1.151 279 P CA 0.902 63.509 63.100 -0.822 0.000 0.770 279 P CB -0.191 30.966 31.700 -0.906 0.000 0.786 280 N N -0.634 117.795 118.700 -0.452 0.000 2.370 280 N HA 0.172 4.912 4.740 0.000 0.000 0.198 280 N C 0.963 176.065 175.510 -0.681 0.000 1.156 280 N CA 0.423 53.258 53.050 -0.359 0.000 0.839 280 N CB 0.266 38.516 38.487 -0.395 0.000 0.989 280 N HN 0.152 nan 8.380 nan 0.000 0.468 281 G N -0.436 107.790 108.800 -0.956 0.000 2.561 281 G HA2 0.554 4.514 3.960 0.000 0.000 0.310 281 G HA3 0.554 4.514 3.960 0.000 0.000 0.310 281 G C -1.710 172.428 174.900 -1.270 0.000 1.292 281 G CA -0.638 43.468 45.100 -1.656 0.000 0.811 281 G HN 0.151 nan 8.290 nan 0.000 0.482 282 E N -1.858 117.454 120.200 -1.479 0.000 2.421 282 E HA 0.291 4.641 4.350 0.000 0.000 0.278 282 E C -1.627 174.583 176.600 -0.650 0.000 1.141 282 E CA -0.985 54.965 56.400 -0.751 0.000 0.880 282 E CB 0.822 30.341 29.700 -0.302 0.000 1.381 282 E HN 0.443 nan 8.360 nan 0.000 0.436 283 I N 2.516 122.954 120.570 -0.220 0.000 2.308 283 I HA 0.176 4.346 4.170 0.000 0.000 0.293 283 I C -1.426 174.621 176.117 -0.117 0.000 1.078 283 I CA -1.866 59.371 61.300 -0.106 0.000 1.292 283 I CB 0.841 38.858 38.000 0.028 0.000 1.423 283 I HN 0.453 nan 8.210 nan 0.000 0.493 284 P HA -0.077 nan 4.420 nan 0.000 0.219 284 P C -0.458 176.802 177.300 -0.066 0.000 1.150 284 P CA 1.279 64.310 63.100 -0.116 0.000 0.814 284 P CB 0.068 31.685 31.700 -0.139 0.000 0.787 285 N N -2.724 115.948 118.700 -0.046 0.000 3.395 285 N HA 0.112 4.852 4.740 0.000 0.000 0.293 285 N C -0.739 174.765 175.510 -0.010 0.000 1.489 285 N CA -0.720 52.315 53.050 -0.025 0.000 0.871 285 N CB -0.605 37.867 38.487 -0.026 0.000 1.649 285 N HN -0.380 nan 8.380 nan 0.000 0.501 286 N N -0.891 117.808 118.700 -0.002 0.000 2.338 286 N HA 0.233 4.973 4.740 0.000 0.000 0.251 286 N C -1.005 174.510 175.510 0.008 0.000 1.199 286 N CA -0.306 52.748 53.050 0.006 0.000 0.879 286 N CB -0.335 38.159 38.487 0.012 0.000 1.159 286 N HN 0.415 nan 8.380 nan 0.000 0.514 287 N N 0.704 119.407 118.700 0.005 0.000 2.444 287 N HA 0.151 4.891 4.740 0.000 0.000 0.255 287 N C 0.422 175.940 175.510 0.014 0.000 1.255 287 N CA -0.057 52.998 53.050 0.009 0.000 0.933 287 N CB 1.175 39.665 38.487 0.005 0.000 1.143 287 N HN 0.122 nan 8.380 nan 0.000 0.453 288 L N 1.091 122.326 121.223 0.020 0.000 2.453 288 L HA 0.054 4.394 4.340 0.000 0.000 0.272 288 L C 0.765 177.653 176.870 0.030 0.000 1.182 288 L CA -0.433 54.423 54.840 0.026 0.000 0.858 288 L CB 0.269 42.347 42.059 0.032 0.000 1.120 288 L HN 0.294 nan 8.230 nan 0.000 0.474 289 L N 4.749 125.993 121.223 0.035 0.000 2.648 289 L HA 0.136 4.476 4.340 0.000 0.000 0.238 289 L C 0.645 177.549 176.870 0.057 0.000 1.316 289 L CA 0.310 55.183 54.840 0.056 0.000 1.241 289 L CB -0.878 41.223 42.059 0.069 0.000 1.499 289 L HN 0.694 nan 8.230 nan 0.000 0.411 290 N N -1.344 117.381 118.700 0.041 0.000 2.200 290 N HA 0.085 4.825 4.740 0.000 0.000 0.224 290 N C -0.201 175.318 175.510 0.016 0.000 1.179 290 N CA -0.384 52.685 53.050 0.032 0.000 0.877 290 N CB -0.112 38.394 38.487 0.033 0.000 1.072 290 N HN 0.407 nan 8.380 nan 0.000 0.519 291 N N -0.170 118.539 118.700 0.016 0.000 2.813 291 N HA 0.276 5.016 4.740 0.000 0.000 0.320 291 N C -0.081 175.423 175.510 -0.010 0.000 1.315 291 N CA -0.812 52.240 53.050 0.003 0.000 0.871 291 N CB -0.031 38.462 38.487 0.011 0.000 1.241 291 N HN -0.115 nan 8.380 nan 0.000 0.602 292 N N -1.527 117.165 118.700 -0.014 0.000 2.463 292 N HA 0.010 4.750 4.740 0.000 0.000 0.181 292 N C -0.082 175.452 175.510 0.039 0.000 1.078 292 N CA 0.157 53.188 53.050 -0.032 0.000 0.902 292 N CB 0.090 38.552 38.487 -0.041 0.000 0.970 292 N HN 0.636 nan 8.380 nan 0.000 0.451 293 S N 0.090 115.834 115.700 0.074 0.000 2.738 293 S HA 0.342 4.812 4.470 0.000 0.000 0.284 293 S C 0.523 175.228 174.600 0.175 0.000 1.146 293 S CA -0.811 57.461 58.200 0.119 0.000 0.997 293 S CB 0.874 64.103 63.200 0.048 0.000 1.081 293 S HN 0.125 nan 8.310 nan 0.000 0.553 294 L N -1.285 119.986 121.223 0.080 0.000 2.741 294 L HA 0.537 4.877 4.340 0.000 0.000 0.237 294 L C 0.261 177.129 176.870 -0.004 0.000 1.178 294 L CA -0.288 54.566 54.840 0.023 0.000 0.973 294 L CB -1.859 40.029 42.059 -0.286 0.000 1.255 294 L HN 0.873 nan 8.230 nan 0.000 0.498 295 N N -1.156 117.546 118.700 0.003 0.000 2.747 295 N HA -0.143 4.597 4.740 0.000 0.000 0.249 295 N C -0.637 174.840 175.510 -0.056 0.000 1.107 295 N CA 0.418 53.459 53.050 -0.015 0.000 0.707 295 N CB -0.811 37.678 38.487 0.003 0.000 1.054 295 N HN 0.282 nan 8.380 nan 0.000 0.555 296 V N 1.536 121.401 119.914 -0.081 0.000 2.487 296 V HA 0.411 4.531 4.120 0.000 0.000 0.298 296 V C 0.617 176.664 176.094 -0.078 0.000 1.028 296 V CA -0.672 61.565 62.300 -0.106 0.000 0.860 296 V CB 1.842 33.565 31.823 -0.165 0.000 0.991 296 V HN 0.114 nan 8.190 nan 0.000 0.427 297 I N 4.837 125.365 120.570 -0.069 0.000 2.683 297 I HA 0.056 4.226 4.170 0.000 0.000 0.286 297 I C 0.865 176.949 176.117 -0.056 0.000 1.175 297 I CA 0.257 61.524 61.300 -0.054 0.000 1.429 297 I CB 0.335 38.305 38.000 -0.050 0.000 1.371 297 I HN 0.616 nan 8.210 nan 0.000 0.569 298 Q N 0.000 119.774 119.800 -0.043 0.000 2.315 298 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 298 Q CA 0.000 55.780 55.803 -0.039 0.000 1.022 298 Q CB 0.000 28.722 28.738 -0.026 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481