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_H 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 0.000 175.264 175.510 -0.410 0.000 1.280 33 N CA 0.000 52.987 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 0.693 116.085 115.700 -0.513 0.000 2.593 34 S HA 0.042 4.512 4.470 0.000 0.000 0.303 34 S C -2.411 171.768 174.600 -0.703 0.000 1.267 34 S CA -0.369 57.323 58.200 -0.846 0.000 1.047 34 S CB -0.046 62.925 63.200 -0.381 0.000 0.777 34 S HN 0.182 nan 8.310 nan 0.000 0.498 35 P HA 0.328 nan 4.420 nan 0.000 0.278 35 P C 0.339 177.476 177.300 -0.272 0.000 1.238 35 P CA -0.678 62.103 63.100 -0.531 0.000 0.794 35 P CB 0.622 31.910 31.700 -0.687 0.000 0.955 36 K N 1.033 121.324 120.400 -0.182 0.000 2.057 36 K HA -0.035 4.285 4.320 0.000 0.000 0.206 36 K C 0.561 177.136 176.600 -0.043 0.000 1.050 36 K CA 1.607 57.834 56.287 -0.101 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 -1.036 119.358 120.400 -0.010 0.000 2.585 37 D HA 0.041 4.681 4.640 0.000 0.000 0.254 37 D C 0.125 176.524 176.300 0.165 0.000 1.067 37 D CA -0.821 53.211 54.000 0.053 0.000 1.090 37 D CB -0.056 40.765 40.800 0.036 0.000 1.408 37 D HN -0.137 nan 8.370 nan 0.000 0.554 38 N N -1.223 117.576 118.700 0.164 0.000 2.313 38 N HA -0.012 4.728 4.740 0.000 0.000 0.207 38 N C 0.466 176.050 175.510 0.123 0.000 1.141 38 N CA -0.065 53.105 53.050 0.199 0.000 0.830 38 N CB -0.394 38.127 38.487 0.057 0.000 1.008 38 N HN 0.366 nan 8.380 nan 0.000 0.481 39 T N 0.463 115.118 114.554 0.168 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 0.109 0.000 1.040 39 T CA 1.678 63.837 62.100 0.098 0.000 1.142 39 T CB -0.378 68.536 68.868 0.077 0.000 0.861 39 T HN 0.659 nan 8.240 nan 0.000 0.456 40 W N 2.996 124.262 121.300 -0.056 0.000 2.364 40 W HA 0.002 4.662 4.660 -0.000 0.000 0.281 40 W C 1.321 177.814 176.519 -0.043 0.000 1.219 40 W CA 0.722 58.026 57.345 -0.069 0.000 1.220 40 W CB -1.072 28.346 29.460 -0.069 0.000 1.127 40 W HN 0.432 nan 8.180 nan 0.000 0.556 41 I N -1.483 118.730 120.570 -0.595 0.000 3.936 41 I HA 0.273 4.443 4.170 0.000 0.000 0.330 41 I C 1.731 177.686 176.117 -0.270 0.000 1.509 41 I CA -0.317 60.651 61.300 -0.554 0.000 1.126 41 I CB -0.282 37.176 38.000 -0.902 0.000 1.115 41 I HN -0.105 nan 8.210 nan 0.000 0.424 42 Q N 1.732 121.438 119.800 -0.156 0.000 2.364 42 Q HA 0.028 4.368 4.340 0.000 0.000 0.207 42 Q C 2.222 178.186 176.000 -0.059 0.000 0.970 42 Q CA 1.401 57.150 55.803 -0.089 0.000 0.888 42 Q CB 0.184 28.890 28.738 -0.055 0.000 0.951 42 Q HN 0.782 nan 8.270 nan 0.000 0.469 43 A N 0.529 123.294 122.820 -0.092 0.000 2.208 43 A HA 0.307 4.627 4.320 0.000 0.000 0.209 43 A C 0.964 178.588 177.584 0.068 0.000 1.161 43 A CA 0.322 52.304 52.037 -0.092 0.000 0.782 43 A CB -0.164 18.684 19.000 -0.253 0.000 0.816 43 A HN 0.312 nan 8.150 nan 0.000 0.477 44 A N 0.062 122.870 122.820 -0.020 0.000 2.598 44 A HA 0.211 4.531 4.320 0.000 0.000 0.239 44 A C 1.446 178.988 177.584 -0.070 0.000 1.032 44 A CA 0.842 52.827 52.037 -0.088 0.000 0.760 44 A CB 0.009 18.876 19.000 -0.222 0.000 0.946 44 A HN 0.449 nan 8.150 nan 0.000 0.512 45 S N 1.699 117.346 115.700 -0.087 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 -0.151 0.000 1.034 45 S CA 0.391 58.545 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 3.502 124.547 121.223 -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 -0.750 0.000 1.266 46 L CA -0.100 54.383 54.840 -0.595 0.000 1.162 46 L CB -0.053 41.481 42.059 -0.875 0.000 1.375 46 L HN 0.430 nan 8.230 nan 0.000 0.420 47 T N -2.616 111.712 114.554 -0.376 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 -0.164 0.000 1.066 47 T CA 0.818 62.792 62.100 -0.210 0.000 1.130 47 T CB -0.254 68.585 68.868 -0.048 0.000 0.864 47 T HN 0.747 nan 8.240 nan 0.000 0.481 48 W N 1.269 122.551 121.300 -0.030 0.000 2.468 48 W HA 0.292 4.952 4.660 0.000 0.000 0.262 48 W C 0.733 177.229 176.519 -0.039 0.000 1.241 48 W CA -0.628 56.699 57.345 -0.029 0.000 1.232 48 W CB -1.068 28.377 29.460 -0.025 0.000 1.124 48 W HN 0.239 nan 8.180 nan 0.000 0.597 54 S N 1.923 117.770 115.700 0.246 0.000 2.368 54 S HA 0.009 4.479 4.470 0.000 0.000 0.224 54 S C 1.718 176.450 174.600 0.220 0.000 1.029 54 S CA 1.608 59.929 58.200 0.201 0.000 0.988 54 S CB -0.488 62.775 63.200 0.106 0.000 0.838 54 S HN 0.516 nan 8.310 nan 0.000 0.462 55 L N 1.703 123.032 121.223 0.177 0.000 2.046 55 L HA -0.006 4.334 4.340 0.000 0.000 0.208 55 L C 2.019 178.999 176.870 0.183 0.000 1.077 55 L CA 1.540 56.470 54.840 0.151 0.000 0.747 55 L CB -0.848 41.281 42.059 0.118 0.000 0.896 55 L HN 0.296 nan 8.230 nan 0.000 0.432 56 L N -1.311 120.055 121.223 0.238 0.000 2.046 56 L HA -0.226 4.114 4.340 0.000 0.000 0.208 56 L C 2.430 179.514 176.870 0.358 0.000 1.077 56 L CA 1.957 56.958 54.840 0.267 0.000 0.747 56 L CB -1.032 41.167 42.059 0.233 0.000 0.896 56 L HN 0.468 nan 8.230 nan 0.000 0.432 57 Y N -0.312 120.193 120.300 0.340 0.000 2.224 57 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 57 Y C 2.505 178.435 175.900 0.050 0.000 1.146 57 Y CA 1.940 60.122 58.100 0.137 0.000 1.182 57 Y CB -0.041 38.355 38.460 -0.106 0.000 0.983 57 Y HN 0.335 nan 8.280 nan 0.000 0.524 58 Q N -0.433 119.449 119.800 0.136 0.000 2.016 58 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 58 Q C 2.321 178.301 176.000 -0.032 0.000 0.978 58 Q CA 1.266 57.089 55.803 0.034 0.000 0.833 58 Q CB -0.851 27.939 28.738 0.086 0.000 0.895 58 Q HN 0.447 nan 8.270 nan 0.000 0.427 59 L N 0.942 122.181 121.223 0.027 0.000 2.043 59 L HA -0.194 4.146 4.340 0.000 0.000 0.212 59 L C 2.200 179.064 176.870 -0.010 0.000 1.075 59 L CA 1.607 56.461 54.840 0.023 0.000 0.752 59 L CB -0.740 41.360 42.059 0.068 0.000 0.891 59 L HN 0.178 nan 8.230 nan 0.000 0.432 60 I N -2.169 118.394 120.570 -0.011 0.000 2.277 60 I HA -0.229 3.941 4.170 0.000 0.000 0.243 60 I C 2.363 178.384 176.117 -0.160 0.000 1.094 60 I CA 0.995 62.284 61.300 -0.018 0.000 1.393 60 I CB -0.356 37.689 38.000 0.075 0.000 1.078 60 I HN 0.099 nan 8.210 nan 0.000 0.417 61 S N 0.337 115.837 115.700 -0.333 0.000 2.400 61 S HA -0.194 4.276 4.470 0.000 0.000 0.232 61 S C 2.082 176.560 174.600 -0.204 0.000 1.025 61 S CA 2.054 60.032 58.200 -0.369 0.000 0.993 61 S CB -0.486 62.370 63.200 -0.573 0.000 0.808 61 S HN 0.653 nan 8.310 nan 0.000 0.478 62 T N -0.401 114.063 114.554 -0.151 0.000 3.072 62 T HA 0.069 4.419 4.350 0.000 0.000 0.266 62 T C 1.343 175.971 174.700 -0.119 0.000 1.127 62 T CA 0.543 62.579 62.100 -0.106 0.000 1.107 62 T CB -0.096 68.732 68.868 -0.067 0.000 0.910 62 T HN 0.089 nan 8.240 nan 0.000 0.513 63 R N 0.689 121.092 120.500 -0.162 0.000 2.466 63 R HA 0.443 4.783 4.340 0.000 0.000 0.279 63 R C -0.171 176.018 176.300 -0.186 0.000 0.976 63 R CA -0.101 55.863 56.100 -0.226 0.000 1.081 63 R CB -0.057 29.973 30.300 -0.450 0.000 1.215 63 R HN 0.520 nan 8.270 nan 0.000 0.546 64 I N 2.499 122.982 120.570 -0.145 0.000 2.420 64 I HA 0.275 4.445 4.170 0.000 0.000 0.282 64 I C -2.267 173.723 176.117 -0.211 0.000 1.019 64 I CA -2.244 58.982 61.300 -0.123 0.000 1.130 64 I CB 1.867 39.834 38.000 -0.054 0.000 1.262 64 I HN -0.327 nan 8.210 nan 0.000 0.454 65 P HA 0.106 nan 4.420 nan 0.000 0.266 65 P C 0.737 177.681 177.300 -0.593 0.000 1.195 65 P CA 0.107 62.866 63.100 -0.568 0.000 0.768 65 P CB 0.735 31.694 31.700 -1.234 0.000 0.838 66 S N 1.739 117.241 115.700 -0.329 0.000 2.420 66 S HA -0.189 4.281 4.470 0.000 0.000 0.237 66 S C 1.399 175.889 174.600 -0.182 0.000 1.023 66 S CA 1.542 59.635 58.200 -0.179 0.000 0.991 66 S CB -0.966 62.211 63.200 -0.038 0.000 0.792 66 S HN 0.670 nan 8.310 nan 0.000 0.488 67 F N 1.152 121.017 119.950 -0.142 0.000 2.407 67 F HA 0.379 4.906 4.527 -0.000 0.000 0.299 67 F C 2.137 177.658 175.800 -0.464 0.000 1.097 67 F CA 0.183 58.036 58.000 -0.246 0.000 1.422 67 F CB -0.827 38.033 39.000 -0.234 0.000 1.067 67 F HN 0.133 nan 8.300 nan 0.000 0.539 68 A N -0.513 121.851 122.820 -0.759 0.000 1.898 68 A HA 0.090 4.410 4.320 0.000 0.000 0.214 68 A C 1.529 179.102 177.584 -0.019 0.000 1.183 68 A CA 1.114 52.913 52.037 -0.396 0.000 0.622 68 A CB -0.677 18.171 19.000 -0.255 0.000 0.824 68 A HN 0.294 nan 8.150 nan 0.000 0.444 69 S N -0.374 115.253 115.700 -0.122 0.000 2.130 69 S HA 0.459 4.929 4.470 0.000 0.000 0.165 69 S C -2.097 172.424 174.600 -0.131 0.000 1.677 69 S CA -1.355 56.756 58.200 -0.148 0.000 1.227 69 S CB 0.563 63.608 63.200 -0.257 0.000 1.115 69 S HN 0.108 nan 8.310 nan 0.000 0.452 70 P HA -0.081 nan 4.420 nan 0.000 0.216 70 P C 0.312 177.579 177.300 -0.054 0.000 1.157 70 P CA 1.484 64.552 63.100 -0.054 0.000 0.880 70 P CB 0.017 31.703 31.700 -0.024 0.000 0.791 71 N N -1.459 117.204 118.700 -0.062 0.000 2.270 71 N HA 0.318 5.058 4.740 0.000 0.000 0.198 71 N C 0.646 176.119 175.510 -0.061 0.000 1.117 71 N CA 0.500 53.519 53.050 -0.051 0.000 0.845 71 N CB 0.262 38.727 38.487 -0.036 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 -0.094 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 -0.090 0.000 0.856 72 G HN 0.122 nan 8.290 nan 0.000 0.538 73 L N 1.477 122.624 121.223 -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 -0.103 0.000 1.182 73 L CA -0.473 54.262 54.840 -0.175 0.000 0.858 73 L CB 0.690 42.670 42.059 -0.131 0.000 1.120 73 L HN 0.766 nan 8.230 nan 0.000 0.474 77 E N 1.407 121.680 120.200 0.121 0.000 2.244 77 E HA 0.280 4.630 4.350 0.000 0.000 0.266 77 E C -0.777 175.923 176.600 0.167 0.000 0.914 77 E CA -0.762 55.696 56.400 0.098 0.000 0.794 77 E CB 1.806 31.553 29.700 0.079 0.000 1.210 77 E HN 0.484 nan 8.360 nan 0.000 0.414 78 Q N -0.301 119.528 119.800 0.049 0.000 2.494 78 Q HA -0.217 4.123 4.340 0.000 0.000 0.272 78 Q C 0.741 176.548 176.000 -0.323 0.000 1.145 78 Q CA 0.905 56.678 55.803 -0.050 0.000 0.943 78 Q CB -2.020 26.744 28.738 0.043 0.000 1.338 78 Q HN 0.790 nan 8.270 nan 0.000 0.492 79 T N -2.814 111.628 114.554 -0.187 0.000 3.118 79 T HA 0.281 4.631 4.350 0.000 0.000 0.260 79 T C 0.622 175.234 174.700 -0.147 0.000 1.139 79 T CA 0.423 62.402 62.100 -0.202 0.000 1.085 79 T CB 0.361 69.242 68.868 0.022 0.000 0.934 79 T HN 0.350 nan 8.240 nan 0.000 0.518 80 I N 1.089 121.586 120.570 -0.122 0.000 2.647 80 I HA 0.320 4.490 4.170 0.000 0.000 0.295 80 I C -1.193 174.884 176.117 -0.067 0.000 1.078 80 I CA -1.135 60.122 61.300 -0.071 0.000 1.048 80 I CB 2.388 40.364 38.000 -0.039 0.000 1.239 80 I HN -0.056 nan 8.210 nan 0.000 0.421 81 D N 3.613 123.983 120.400 -0.049 0.000 2.339 81 D HA 0.089 4.729 4.640 0.000 0.000 0.256 81 D C 1.128 177.414 176.300 -0.023 0.000 1.214 81 D CA 0.101 54.079 54.000 -0.035 0.000 0.877 81 D CB 1.256 42.039 40.800 -0.028 0.000 1.111 81 D HN 0.546 nan 8.370 nan 0.000 0.478 82 S N 3.813 119.502 115.700 -0.019 0.000 2.400 82 S HA -0.210 4.260 4.470 0.000 0.000 0.232 82 S C 1.651 176.245 174.600 -0.010 0.000 1.025 82 S CA 0.544 58.736 58.200 -0.013 0.000 0.993 82 S CB -0.125 63.069 63.200 -0.010 0.000 0.808 82 S HN 0.536 nan 8.310 nan 0.000 0.478 83 N N 1.772 120.466 118.700 -0.010 0.000 2.058 83 N HA -0.094 4.646 4.740 0.000 0.000 0.191 83 N C 1.948 177.453 175.510 -0.009 0.000 1.037 83 N CA 2.299 55.344 53.050 -0.008 0.000 0.848 83 N CB -0.453 38.029 38.487 -0.007 0.000 1.021 83 N HN 0.783 nan 8.380 nan 0.000 0.422 84 T N -3.953 110.595 114.554 -0.011 0.000 3.023 84 T HA 0.314 4.664 4.350 0.000 0.000 0.249 84 T C 1.348 176.042 174.700 -0.010 0.000 1.050 84 T CA 0.698 62.792 62.100 -0.011 0.000 1.088 84 T CB 0.654 69.513 68.868 -0.014 0.000 0.946 84 T HN 0.285 nan 8.240 nan 0.000 0.480 85 G N 1.371 110.165 108.800 -0.010 0.000 2.143 85 G HA2 -0.202 3.758 3.960 0.000 0.000 0.249 85 G HA3 -0.202 3.758 3.960 0.000 0.000 0.249 85 G C -0.108 174.789 174.900 -0.005 0.000 0.981 85 G CA -0.163 44.933 45.100 -0.006 0.000 0.665 85 G HN 0.577 nan 8.290 nan 0.000 0.528 86 Q N -0.119 119.674 119.800 -0.012 0.000 2.221 86 Q HA 0.527 4.867 4.340 0.000 0.000 0.242 86 Q C 0.933 176.926 176.000 -0.012 0.000 0.940 86 Q CA -0.833 54.962 55.803 -0.014 0.000 0.896 86 Q CB 1.054 29.776 28.738 -0.025 0.000 1.226 86 Q HN 0.280 nan 8.270 nan 0.000 0.463 87 I N 1.902 122.473 120.570 0.001 0.000 2.598 87 I HA -0.066 4.104 4.170 0.000 0.000 0.284 87 I C 0.715 176.833 176.117 0.001 0.000 1.140 87 I CA -0.056 61.258 61.300 0.024 0.000 1.420 87 I CB -0.255 37.809 38.000 0.105 0.000 1.387 87 I HN 0.514 nan 8.210 nan 0.000 0.553 88 Q N 6.707 126.490 119.800 -0.030 0.000 2.286 88 Q HA 0.267 4.607 4.340 0.000 0.000 0.265 88 Q C -0.751 175.266 176.000 0.028 0.000 1.080 88 Q CA 0.532 56.297 55.803 -0.063 0.000 0.906 88 Q CB 0.161 28.751 28.738 -0.248 0.000 1.227 88 Q HN 0.505 nan 8.270 nan 0.000 0.409 89 I N 5.289 125.825 120.570 -0.057 0.000 2.412 89 I HA 0.317 4.487 4.170 0.000 0.000 0.279 89 I C -0.889 175.162 176.117 -0.109 0.000 1.063 89 I CA -0.624 60.502 61.300 -0.290 0.000 1.193 89 I CB 0.379 38.072 38.000 -0.511 0.000 1.370 89 I HN 0.651 nan 8.210 nan 0.000 0.479 90 D N 2.475 122.981 120.400 0.177 0.000 2.583 90 D HA 0.236 4.876 4.640 0.000 0.000 0.248 90 D C 0.309 176.779 176.300 0.284 0.000 1.209 90 D CA -0.793 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 0.242 118.988 118.700 0.078 0.000 2.132 91 N HA -0.210 4.530 4.740 0.000 0.000 0.191 91 N C 1.324 176.848 175.510 0.023 0.000 1.015 91 N CA 1.687 54.691 53.050 -0.078 0.000 0.864 91 N CB -0.224 37.854 38.487 -0.682 0.000 1.006 91 N HN 0.762 nan 8.380 nan 0.000 0.430 92 E N 0.063 120.261 120.200 -0.003 0.000 2.204 92 E HA -0.140 4.210 4.350 0.000 0.000 0.194 92 E C 0.666 177.130 176.600 -0.227 0.000 0.989 92 E CA 1.373 57.711 56.400 -0.103 0.000 0.824 92 E CB -0.095 29.516 29.700 -0.148 0.000 0.756 92 E HN 0.553 nan 8.360 nan 0.000 0.477 93 H N -1.096 118.087 119.070 0.187 0.000 2.594 93 H HA 0.321 4.877 4.556 0.000 0.000 0.279 93 H C -0.115 175.310 175.328 0.163 0.000 1.042 93 H CA -0.292 55.881 56.048 0.209 0.000 1.177 93 H CB 0.303 30.217 29.762 0.253 0.000 1.524 93 H HN -0.090 nan 8.280 nan 0.000 0.537 94 R N 1.835 122.437 120.500 0.170 0.000 2.296 94 R HA 0.223 4.563 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 -0.080 55.886 56.100 -0.223 0.000 0.946 94 R CB 0.057 30.384 30.300 0.045 0.000 0.991 94 R HN 0.194 nan 8.270 nan 0.000 0.448 95 L N 5.560 126.605 121.223 -0.297 0.000 2.330 95 L HA 0.577 4.917 4.340 0.000 0.000 0.271 95 L C -0.496 176.272 176.870 -0.171 0.000 1.013 95 L CA -1.080 53.682 54.840 -0.130 0.000 0.816 95 L CB 1.654 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 1.715 122.872 121.223 -0.110 0.000 2.371 96 L HA 0.682 5.022 4.340 0.000 0.000 0.262 96 L C -0.659 176.132 176.870 -0.132 0.000 1.006 96 L CA -0.685 54.061 54.840 -0.156 0.000 0.818 96 L CB 2.458 44.401 42.059 -0.193 0.000 1.354 96 L HN 0.546 nan 8.230 nan 0.000 0.415 97 R N 1.126 121.532 120.500 -0.158 0.000 2.515 97 R HA 0.354 4.694 4.340 0.000 0.000 0.291 97 R C -2.079 174.220 176.300 -0.001 0.000 1.046 97 R CA -0.473 55.559 56.100 -0.114 0.000 0.914 97 R CB 1.298 31.378 30.300 -0.366 0.000 1.191 97 R HN 0.515 nan 8.270 nan 0.000 0.435 98 W N 3.818 125.227 121.300 0.181 0.000 2.322 98 W HA 0.343 5.003 4.660 -0.000 0.000 0.307 98 W C 0.111 176.798 176.519 0.280 0.000 1.220 98 W CA 0.145 57.641 57.345 0.253 0.000 1.210 98 W CB 1.037 30.636 29.460 0.232 0.000 1.223 98 W HN 0.320 nan 8.180 nan 0.000 0.511 99 D N 1.723 122.498 120.400 0.626 0.000 2.837 99 D HA 0.214 4.854 4.640 0.000 0.000 0.220 99 D C 0.677 177.348 176.300 0.618 0.000 1.236 99 D CA -0.532 53.807 54.000 0.565 0.000 0.838 99 D CB 1.844 42.985 40.800 0.568 0.000 1.647 99 D HN 0.289 nan 8.370 nan 0.000 0.486 100 R N 1.349 122.165 120.500 0.527 0.000 2.275 100 R HA 0.116 4.456 4.340 0.000 0.000 0.199 100 R C 0.429 176.988 176.300 0.431 0.000 0.989 100 R CA 0.153 56.544 56.100 0.485 0.000 1.016 100 R CB 0.240 30.777 30.300 0.396 0.000 0.918 100 R HN 0.192 nan 8.270 nan 0.000 0.473 101 R N 1.995 122.699 120.500 0.341 0.000 2.438 101 R HA 0.168 4.508 4.340 0.000 0.000 0.287 101 R C -2.124 174.059 176.300 -0.196 0.000 1.077 101 R CA -1.469 54.688 56.100 0.096 0.000 1.034 101 R CB 0.349 30.697 30.300 0.080 0.000 0.993 101 R HN -0.002 nan 8.270 nan 0.000 0.459 102 P HA 0.180 nan 4.420 nan 0.000 0.278 102 P C -2.244 174.570 177.300 -0.810 0.000 1.266 102 P CA -1.841 60.708 63.100 -0.919 0.000 0.807 102 P CB 0.705 32.124 31.700 -0.468 0.000 1.094 103 P HA -0.181 nan 4.420 nan 0.000 0.216 103 P C 1.099 177.873 177.300 -0.876 0.000 1.150 103 P CA 1.584 63.848 63.100 -1.394 0.000 0.843 103 P CB -0.328 30.200 31.700 -1.953 0.000 0.787 104 N N -0.724 117.776 118.700 -0.333 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 1.127 54.248 53.050 0.119 0.000 0.883 104 N CB -0.703 37.854 38.487 0.116 0.000 0.965 104 N HN 0.237 nan 8.380 nan 0.000 0.438 105 D N 0.111 120.388 120.400 -0.205 0.000 2.394 105 D HA 0.037 4.677 4.640 0.000 0.000 0.237 105 D C 1.910 178.017 176.300 -0.320 0.000 1.028 105 D CA 0.208 54.094 54.000 -0.191 0.000 0.937 105 D CB 0.018 40.713 40.800 -0.176 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 -0.518 0.000 2.163 106 I HA -0.219 3.951 4.170 0.000 0.000 0.243 106 I C 2.194 177.961 176.117 -0.584 0.000 1.085 106 I CA 0.922 61.781 61.300 -0.735 0.000 1.347 106 I CB -1.332 35.953 38.000 -1.193 0.000 1.044 106 I HN 0.066 nan 8.210 nan 0.000 0.408 107 F N 0.236 119.673 119.950 -0.855 0.000 2.604 107 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 107 F C 2.205 177.531 175.800 -0.789 0.000 1.131 107 F CA 0.435 57.810 58.000 -1.041 0.000 1.457 107 F CB -0.967 36.860 39.000 -1.956 0.000 1.095 107 F HN 0.071 nan 8.300 nan 0.000 0.574 108 L N -0.154 120.891 121.223 -0.297 0.000 2.221 108 L HA 0.125 4.465 4.340 0.000 0.000 0.202 108 L C 1.707 178.543 176.870 -0.056 0.000 1.074 108 L CA 1.579 56.429 54.840 0.017 0.000 0.795 108 L CB -0.441 41.723 42.059 0.175 0.000 0.960 108 L HN -0.139 nan 8.230 nan 0.000 0.458 109 N N -0.209 118.407 118.700 -0.141 0.000 2.294 109 N HA 0.243 4.983 4.740 0.000 0.000 0.186 109 N C 0.942 176.335 175.510 -0.194 0.000 1.107 109 N CA 0.849 53.820 53.050 -0.132 0.000 0.884 109 N CB 0.700 39.120 38.487 -0.111 0.000 1.030 109 N HN 0.427 nan 8.380 nan 0.000 0.482 110 G N 1.303 109.903 108.800 -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 -1.045 173.517 174.900 -0.564 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 0.742 120.607 119.950 -0.142 0.000 2.313 111 F HA 0.604 5.131 4.527 -0.000 0.000 0.369 111 F C 1.022 176.771 175.800 -0.085 0.000 1.109 111 F CA -0.628 57.295 58.000 -0.128 0.000 1.132 111 F CB 0.903 39.820 39.000 -0.139 0.000 1.291 111 F HN 0.368 nan 8.300 nan 0.000 0.496 112 I N 5.495 126.113 120.570 0.081 0.000 2.396 112 I HA 0.311 4.481 4.170 0.000 0.000 0.292 112 I C -2.043 174.104 176.117 0.050 0.000 0.999 112 I CA -2.027 59.295 61.300 0.037 0.000 1.310 112 I CB 1.202 39.211 38.000 0.015 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 0.159 177.461 177.300 0.003 0.000 1.240 113 P CA -0.399 62.694 63.100 -0.010 0.000 0.791 113 P CB 0.600 32.249 31.700 -0.085 0.000 0.978 114 R N -0.106 120.395 120.500 0.000 0.000 2.120 114 R HA 0.006 4.346 4.340 0.000 0.000 0.234 114 R C 0.132 176.438 176.300 0.009 0.000 1.123 114 R CA 0.864 56.970 56.100 0.011 0.000 0.975 114 R CB -0.371 29.937 30.300 0.013 0.000 0.866 114 R HN 0.274 nan 8.270 nan 0.000 0.446 115 V N 1.012 120.920 119.914 -0.011 0.000 2.370 115 V HA 0.107 4.227 4.120 0.000 0.000 0.283 115 V C 0.818 176.932 176.094 0.033 0.000 1.023 115 V CA -0.158 62.145 62.300 0.006 0.000 0.857 115 V CB 1.602 33.417 31.823 -0.014 0.000 0.985 115 V HN 0.338 nan 8.190 nan 0.000 0.443 116 T N -0.326 114.276 114.554 0.080 0.000 3.003 116 T HA 0.119 4.469 4.350 0.000 0.000 0.261 116 T C 0.515 175.369 174.700 0.256 0.000 1.003 116 T CA -0.327 61.867 62.100 0.157 0.000 0.917 116 T CB -0.073 68.865 68.868 0.116 0.000 1.084 116 T HN 0.629 nan 8.240 nan 0.000 0.522 117 N N 1.512 120.296 118.700 0.141 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 -0.042 0.000 1.121 117 N CA -0.592 52.471 53.050 0.023 0.000 0.977 117 N CB 1.491 39.963 38.487 -0.025 0.000 1.167 117 N HN 0.336 nan 8.380 nan 0.000 0.476 118 Q N 0.693 120.254 119.800 -0.400 0.000 2.313 118 Q HA 0.064 4.404 4.340 0.000 0.000 0.266 118 Q C -1.055 174.838 176.000 -0.179 0.000 0.989 118 Q CA 0.076 55.572 55.803 -0.513 0.000 0.890 118 Q CB 0.347 28.535 28.738 -0.917 0.000 1.200 118 Q HN 0.646 nan 8.270 nan 0.000 0.396 119 N N 4.849 123.520 118.700 -0.048 0.000 2.747 119 N HA 0.103 4.843 4.740 0.000 0.000 0.262 119 N C -0.973 174.553 175.510 0.025 0.000 1.261 119 N CA -0.175 52.866 53.050 -0.014 0.000 0.809 119 N CB 0.700 39.188 38.487 0.002 0.000 1.450 119 N HN 0.725 nan 8.380 nan 0.000 0.560 120 L N 0.979 122.212 121.223 0.015 0.000 2.682 120 L HA 0.207 4.547 4.340 0.000 0.000 0.240 120 L C 0.447 177.335 176.870 0.030 0.000 1.178 120 L CA 0.203 55.065 54.840 0.036 0.000 0.970 120 L CB -0.351 41.727 42.059 0.033 0.000 1.179 120 L HN 0.255 nan 8.230 nan 0.000 0.435 121 S N 0.607 116.323 115.700 0.025 0.000 2.654 121 S HA 0.312 4.782 4.470 0.000 0.000 0.283 121 S C -1.719 172.901 174.600 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 0.056 nan 4.420 nan 0.000 0.269 122 P C 0.487 177.819 177.300 0.054 0.000 1.461 122 P CA -0.038 63.080 63.100 0.029 0.000 0.809 122 P CB -0.941 30.767 31.700 0.013 0.000 1.503 123 V N -2.193 117.756 119.914 0.059 0.000 3.923 123 V HA 0.024 4.144 4.120 0.000 0.000 0.292 123 V C 1.746 177.911 176.094 0.118 0.000 1.070 123 V CA 0.230 62.575 62.300 0.075 0.000 1.103 123 V CB -0.079 31.775 31.823 0.053 0.000 1.175 123 V HN -0.105 nan 8.190 nan 0.000 0.471 124 E N 0.144 120.419 120.200 0.124 0.000 2.338 124 E HA -0.136 4.214 4.350 0.000 0.000 0.197 124 E C 1.691 178.387 176.600 0.161 0.000 1.007 124 E CA 1.176 57.677 56.400 0.168 0.000 0.849 124 E CB -0.454 29.311 29.700 0.107 0.000 0.774 124 E HN 0.839 nan 8.360 nan 0.000 0.506 125 D N 0.161 120.614 120.400 0.087 0.000 2.149 125 D HA -0.155 4.485 4.640 0.000 0.000 0.194 125 D C 1.788 178.064 176.300 -0.039 0.000 1.001 125 D CA 2.178 56.187 54.000 0.015 0.000 0.849 125 D CB -0.359 40.441 40.800 -0.001 0.000 0.939 125 D HN 0.334 nan 8.370 nan 0.000 0.449 126 T N -3.701 110.894 114.554 0.069 0.000 3.092 126 T HA 0.048 4.398 4.350 0.000 0.000 0.258 126 T C 0.532 175.489 174.700 0.427 0.000 1.031 126 T CA -0.456 61.726 62.100 0.137 0.000 0.925 126 T CB -0.597 68.327 68.868 0.093 0.000 1.036 126 T HN 0.218 nan 8.240 nan 0.000 0.544 127 H N 1.643 120.885 119.070 0.287 0.000 3.330 127 H HA 0.289 4.845 4.556 0.000 0.000 0.260 127 H C 1.373 176.878 175.328 0.295 0.000 1.439 127 H CA -0.823 55.371 56.048 0.243 0.000 1.540 127 H CB 0.081 29.934 29.762 0.152 0.000 1.698 127 H HN 0.077 nan 8.280 nan 0.000 0.516 128 L N 4.095 125.563 121.223 0.409 0.000 2.013 128 L HA -0.232 4.108 4.340 0.000 0.000 0.212 128 L C 1.633 178.587 176.870 0.139 0.000 1.073 128 L CA 1.695 56.561 54.840 0.043 0.000 0.753 128 L CB -0.429 41.540 42.059 -0.150 0.000 0.890 128 L HN 0.681 nan 8.230 nan 0.000 0.432 129 L N -0.807 120.550 121.223 0.224 0.000 2.093 129 L HA -0.197 4.143 4.340 0.000 0.000 0.208 129 L C 2.250 179.107 176.870 -0.022 0.000 1.085 129 L CA 1.095 55.947 54.840 0.020 0.000 0.755 129 L CB -0.596 41.474 42.059 0.019 0.000 0.904 129 L HN 0.356 nan 8.230 nan 0.000 0.435 130 N N -0.762 117.881 118.700 -0.095 0.000 2.188 130 N HA -0.239 4.501 4.740 0.000 0.000 0.184 130 N C 1.649 177.149 175.510 -0.016 0.000 1.018 130 N CA 1.122 54.035 53.050 -0.227 0.000 0.858 130 N CB -0.353 37.764 38.487 -0.617 0.000 0.989 130 N HN 0.332 nan 8.380 nan 0.000 0.426 131 Y N 1.333 121.626 120.300 -0.011 0.000 2.145 131 Y HA -0.084 4.466 4.550 0.000 0.000 0.286 131 Y C 1.960 177.891 175.900 0.052 0.000 1.145 131 Y CA 1.430 59.552 58.100 0.037 0.000 1.148 131 Y CB -0.594 37.950 38.460 0.139 0.000 0.981 131 Y HN -0.000 nan 8.280 nan 0.000 0.507 132 L N 0.006 121.071 121.223 -0.263 0.000 2.083 132 L HA -0.201 4.139 4.340 0.000 0.000 0.209 132 L C 2.805 179.761 176.870 0.143 0.000 1.083 132 L CA 1.897 56.602 54.840 -0.225 0.000 0.752 132 L CB -0.486 41.490 42.059 -0.137 0.000 0.899 132 L HN 0.187 nan 8.230 nan 0.000 0.433 133 R N -0.517 120.055 120.500 0.119 0.000 2.127 133 R HA -0.096 4.244 4.340 0.000 0.000 0.217 133 R C 2.086 178.664 176.300 0.463 0.000 1.074 133 R CA 1.660 57.946 56.100 0.310 0.000 0.991 133 R CB 0.146 30.467 30.300 0.034 0.000 0.895 133 R HN 0.431 nan 8.270 nan 0.000 0.450 134 T N -3.848 110.781 114.554 0.125 0.000 2.959 134 T HA 0.108 4.458 4.350 0.000 0.000 0.254 134 T C 0.428 174.760 174.700 -0.613 0.000 1.003 134 T CA 0.271 62.316 62.100 -0.090 0.000 0.950 134 T CB 0.257 69.085 68.868 -0.066 0.000 1.090 134 T HN 0.279 nan 8.240 nan 0.000 0.503 135 N N 1.540 119.867 118.700 -0.622 0.000 2.818 135 N HA -0.161 4.579 4.740 0.000 0.000 0.250 135 N C -0.144 175.241 175.510 -0.208 0.000 1.108 135 N CA 0.764 53.434 53.050 -0.633 0.000 0.745 135 N CB -1.828 35.906 38.487 -1.255 0.000 1.104 135 N HN 0.874 nan 8.380 nan 0.000 0.557 136 S N -0.879 114.782 115.700 -0.065 0.000 2.573 136 S HA 0.469 4.939 4.470 0.000 0.000 0.277 136 S C -2.314 172.353 174.600 0.113 0.000 1.346 136 S CA -0.980 57.229 58.200 0.016 0.000 1.034 136 S CB 0.878 64.093 63.200 0.024 0.000 0.879 136 S HN 0.150 nan 8.310 nan 0.000 0.528 137 P HA 0.243 nan 4.420 nan 0.000 0.268 137 P C -0.241 177.093 177.300 0.056 0.000 1.204 137 P CA 0.009 63.145 63.100 0.060 0.000 0.768 137 P CB 0.716 32.434 31.700 0.030 0.000 0.842 138 S N 1.648 117.348 115.700 -0.000 0.000 2.727 138 S HA 0.404 4.874 4.470 0.000 0.000 0.278 138 S C 0.661 175.115 174.600 -0.244 0.000 1.186 138 S CA -0.758 57.380 58.200 -0.103 0.000 0.836 138 S CB 0.261 63.439 63.200 -0.036 0.000 1.186 138 S HN 0.341 nan 8.310 nan 0.000 0.499 139 I N -1.341 118.934 120.570 -0.493 0.000 3.684 139 I HA 0.441 4.611 4.170 0.000 0.000 0.304 139 I C -0.743 175.025 176.117 -0.581 0.000 1.278 139 I CA -0.229 60.769 61.300 -0.502 0.000 1.272 139 I CB -0.497 37.181 38.000 -0.537 0.000 1.029 139 I HN 0.278 nan 8.210 nan 0.000 0.458 140 F N 1.304 121.070 119.950 -0.307 0.000 2.379 140 F HA 0.590 5.117 4.527 0.000 0.000 0.332 140 F C 0.221 175.864 175.800 -0.262 0.000 1.096 140 F CA -0.919 56.867 58.000 -0.356 0.000 1.105 140 F CB 1.187 39.774 39.000 -0.688 0.000 1.189 140 F HN -0.333 nan 8.300 nan 0.000 0.515 141 V N 1.880 121.877 119.914 0.138 0.000 2.487 141 V HA 0.375 4.495 4.120 0.000 0.000 0.298 141 V C -0.403 175.822 176.094 0.218 0.000 1.028 141 V CA -0.806 61.573 62.300 0.132 0.000 0.860 141 V CB 1.825 33.694 31.823 0.077 0.000 0.991 141 V HN 0.808 nan 8.190 nan 0.000 0.427 142 S N 3.169 118.979 115.700 0.183 0.000 2.554 142 S HA 0.739 5.209 4.470 0.000 0.000 0.278 142 S C 0.213 174.832 174.600 0.032 0.000 1.242 142 S CA -0.488 57.804 58.200 0.153 0.000 1.051 142 S CB 1.444 64.712 63.200 0.113 0.000 0.986 142 S HN 0.998 nan 8.310 nan 0.000 0.502 143 T N -0.748 113.853 114.554 0.078 0.000 2.901 143 T HA 0.737 5.087 4.350 0.000 0.000 0.293 143 T C -0.505 174.200 174.700 0.008 0.000 1.084 143 T CA -0.775 61.338 62.100 0.023 0.000 1.008 143 T CB 1.847 70.760 68.868 0.076 0.000 1.170 143 T HN 0.441 nan 8.240 nan 0.000 0.509 144 T N 0.081 114.636 114.554 0.001 0.000 2.907 144 T HA 0.545 4.895 4.350 0.000 0.000 0.292 144 T C -0.597 174.124 174.700 0.035 0.000 1.043 144 T CA -0.871 61.229 62.100 -0.001 0.000 1.003 144 T CB 1.080 69.960 68.868 0.019 0.000 1.084 144 T HN 0.702 nan 8.240 nan 0.000 0.483 145 R N 1.902 122.428 120.500 0.043 0.000 2.490 145 R HA 0.578 4.918 4.340 0.000 0.000 0.280 145 R C 0.405 176.737 176.300 0.052 0.000 1.077 145 R CA -0.546 55.584 56.100 0.051 0.000 1.065 145 R CB 0.533 30.867 30.300 0.057 0.000 1.003 145 R HN 0.715 nan 8.270 nan 0.000 0.470 146 A N 3.377 126.224 122.820 0.045 0.000 2.445 146 A HA 0.160 4.480 4.320 0.000 0.000 0.242 146 A C -0.002 177.553 177.584 -0.049 0.000 1.075 146 A CA -0.033 51.996 52.037 -0.014 0.000 0.777 146 A CB 0.350 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 0.348 120.699 120.500 -0.248 0.000 2.514 147 R HA 0.578 4.918 4.340 0.000 0.000 0.301 147 R C -1.717 174.273 176.300 -0.517 0.000 0.962 147 R CA -0.241 55.743 56.100 -0.192 0.000 0.882 147 R CB 1.495 31.759 30.300 -0.061 0.000 1.143 147 R HN 0.750 nan 8.270 nan 0.000 0.452 148 Y N 0.733 121.064 120.300 0.052 0.000 2.545 148 Y HA 0.240 4.790 4.550 -0.000 0.000 0.348 148 Y C 0.373 176.298 175.900 0.043 0.000 1.002 148 Y CA -1.141 56.988 58.100 0.050 0.000 1.039 148 Y CB 1.454 39.943 38.460 0.048 0.000 1.271 148 Y HN 0.670 nan 8.280 nan 0.000 0.467 149 N N 0.021 118.830 118.700 0.182 0.000 2.431 149 N HA 0.089 4.829 4.740 0.000 0.000 0.289 149 N C 0.121 175.701 175.510 0.117 0.000 1.277 149 N CA -0.370 52.749 53.050 0.116 0.000 0.972 149 N CB 0.268 38.803 38.487 0.081 0.000 1.143 149 N HN 0.539 nan 8.380 nan 0.000 0.578 150 N N -0.687 118.060 118.700 0.079 0.000 2.453 150 N HA -0.002 4.738 4.740 0.000 0.000 0.183 150 N C 1.006 176.551 175.510 0.057 0.000 1.041 150 N CA 0.500 53.587 53.050 0.063 0.000 0.900 150 N CB -0.163 38.352 38.487 0.046 0.000 0.961 150 N HN 0.504 nan 8.380 nan 0.000 0.443 151 L N -0.463 120.800 121.223 0.066 0.000 2.591 151 L HA 0.197 4.537 4.340 0.000 0.000 0.228 151 L C 1.126 178.038 176.870 0.070 0.000 1.133 151 L CA 0.034 54.910 54.840 0.059 0.000 0.880 151 L CB -0.269 41.824 42.059 0.058 0.000 1.033 151 L HN 0.118 nan 8.230 nan 0.000 0.450 152 G N 0.799 109.657 108.800 0.096 0.000 2.143 152 G HA2 -0.270 3.690 3.960 0.000 0.000 0.248 152 G HA3 -0.270 3.690 3.960 0.000 0.000 0.248 152 G C 0.125 175.156 174.900 0.220 0.000 0.991 152 G CA -0.101 45.057 45.100 0.097 0.000 0.689 152 G HN 0.243 nan 8.290 nan 0.000 0.522 153 L N 0.184 121.551 121.223 0.241 0.000 2.334 153 L HA 0.459 4.799 4.340 0.000 0.000 0.277 153 L C 0.936 177.971 176.870 0.274 0.000 1.075 153 L CA -0.747 54.240 54.840 0.245 0.000 0.804 153 L CB 1.330 43.469 42.059 0.133 0.000 1.174 153 L HN 0.269 nan 8.230 nan 0.000 0.438 154 E N 3.397 123.709 120.200 0.187 0.000 2.376 154 E HA 0.254 4.604 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 -0.209 56.093 56.400 -0.163 0.000 0.902 154 E CB 0.789 30.394 29.700 -0.159 0.000 0.972 154 E HN 0.443 nan 8.360 nan 0.000 0.439 155 I N -0.074 120.407 120.570 -0.148 0.000 3.067 155 I HA 0.432 4.602 4.170 0.000 0.000 0.312 155 I C -0.135 175.957 176.117 -0.042 0.000 1.073 155 I CA -1.152 60.117 61.300 -0.051 0.000 1.016 155 I CB 1.767 39.756 38.000 -0.018 0.000 1.227 155 I HN 0.197 nan 8.210 nan 0.000 0.456 156 T N 4.188 118.744 114.554 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 0.051 0.000 1.005 156 T CA -0.187 61.933 62.100 0.034 0.000 1.162 156 T CB -0.435 68.442 68.868 0.016 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 -0.488 176.951 177.300 0.231 0.000 1.292 157 P CA -1.109 62.099 63.100 0.179 0.000 0.800 157 P CB 0.701 32.545 31.700 0.240 0.000 1.188 158 W N 1.040 122.394 121.300 0.091 0.000 2.347 158 W HA 0.172 4.832 4.660 0.000 0.000 0.333 158 W C -0.855 175.703 176.519 0.065 0.000 1.383 158 W CA 1.202 58.565 57.345 0.030 0.000 1.283 158 W CB 0.002 29.474 29.460 0.020 0.000 1.253 158 W HN 0.164 nan 8.180 nan 0.000 0.563 159 T N 8.537 122.661 114.554 -0.718 0.000 2.876 159 T HA 0.347 4.697 4.350 0.000 0.000 0.289 159 T C -2.538 171.244 174.700 -1.530 0.000 1.014 159 T CA -1.396 60.096 62.100 -1.012 0.000 0.986 159 T CB 1.737 70.203 68.868 -0.670 0.000 1.021 159 T HN 0.130 nan 8.240 nan 0.000 0.458 160 P HA 0.227 nan 4.420 nan 0.000 0.271 160 P C 0.382 177.249 177.300 -0.721 0.000 1.218 160 P CA -0.118 62.365 63.100 -1.027 0.000 0.780 160 P CB 0.466 31.805 31.700 -0.603 0.000 0.901 161 H N 0.175 118.957 119.070 -0.481 0.000 2.421 161 H HA -0.108 4.448 4.556 0.000 0.000 0.298 161 H C 1.641 176.822 175.328 -0.244 0.000 1.087 161 H CA 1.635 57.484 56.048 -0.333 0.000 1.330 161 H CB 0.057 29.680 29.762 -0.232 0.000 1.388 161 H HN 0.427 nan 8.280 nan 0.000 0.526 162 S N 0.093 115.745 115.700 -0.079 0.000 2.631 162 S HA 0.221 4.691 4.470 0.000 0.000 0.217 162 S C 2.075 176.604 174.600 -0.118 0.000 0.958 162 S CA 0.137 58.308 58.200 -0.047 0.000 0.920 162 S CB 0.285 63.514 63.200 0.048 0.000 0.776 162 S HN 0.431 nan 8.310 nan 0.000 0.517 163 A N 2.816 125.476 122.820 -0.267 0.000 1.986 163 A HA -0.155 4.165 4.320 0.000 0.000 0.220 163 A C 1.972 179.428 177.584 -0.214 0.000 1.171 163 A CA 1.729 53.558 52.037 -0.347 0.000 0.640 163 A CB -0.981 17.589 19.000 -0.716 0.000 0.811 163 A HN 0.747 nan 8.150 nan 0.000 0.451 164 N N -0.511 118.092 118.700 -0.161 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 -0.040 0.000 1.134 164 N CA -0.131 52.863 53.050 -0.093 0.000 0.878 164 N CB 0.003 38.438 38.487 -0.087 0.000 0.972 164 N HN 0.587 nan 8.380 nan 0.000 0.456 165 N N 0.834 119.513 118.700 -0.035 0.000 2.419 165 N HA 0.236 4.976 4.740 0.000 0.000 0.277 165 N C -0.505 175.010 175.510 0.007 0.000 1.006 165 N CA -0.528 52.516 53.050 -0.009 0.000 0.923 165 N CB 1.042 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 0.299 119.001 118.700 0.004 0.000 1.220 166 N HA -0.261 4.479 4.740 0.000 0.000 0.114 166 N C -1.017 174.490 175.510 -0.005 0.000 0.835 166 N CA 0.898 53.941 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 0.395 nan 8.380 nan 0.000 0.632 167 I N 0.967 121.520 120.570 -0.028 0.000 2.339 167 I HA 0.571 4.741 4.170 0.000 0.000 0.290 167 I C -0.428 175.707 176.117 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 5.703 126.289 120.570 0.027 0.000 2.894 168 I HA 0.454 4.624 4.170 0.000 0.000 0.302 168 I C -1.535 174.608 176.117 0.044 0.000 1.188 168 I CA -0.556 60.839 61.300 0.159 0.000 1.014 168 I CB 2.528 40.694 38.000 0.277 0.000 1.242 168 I HN 0.359 nan 8.210 nan 0.000 0.430 169 Y N 4.676 125.197 120.300 0.368 0.000 2.468 169 Y HA 0.564 5.114 4.550 0.000 0.000 0.342 169 Y C -0.152 175.805 175.900 0.095 0.000 1.021 169 Y CA -0.676 57.511 58.100 0.145 0.000 1.079 169 Y CB 1.612 39.975 38.460 -0.162 0.000 1.226 169 Y HN 0.334 nan 8.280 nan 0.000 0.460 170 R N 3.062 123.539 120.500 -0.039 0.000 2.310 170 R HA 0.351 4.691 4.340 0.000 0.000 0.316 170 R C -1.780 174.291 176.300 -0.382 0.000 1.004 170 R CA -0.584 55.254 56.100 -0.437 0.000 0.900 170 R CB 0.339 30.201 30.300 -0.729 0.000 1.152 170 R HN 0.714 nan 8.270 nan 0.000 0.513 171 Y N 1.487 121.719 120.300 -0.114 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 -0.139 0.000 1.172 171 Y CA 0.032 58.120 58.100 -0.021 0.000 1.280 171 Y CB 0.978 39.581 38.460 0.239 0.000 1.234 171 Y HN 0.434 nan 8.280 nan 0.000 0.512 172 E N 4.148 124.346 120.200 -0.004 0.000 2.133 172 E HA 0.515 4.865 4.350 0.000 0.000 0.274 172 E C -1.494 175.043 176.600 -0.106 0.000 0.930 172 E CA -0.371 55.940 56.400 -0.149 0.000 0.770 172 E CB 0.645 30.221 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 -0.051 0.000 1.243 173 I HN 0.478 nan 8.210 nan 0.000 0.425 174 F N 4.213 124.318 119.950 0.257 0.000 2.716 174 F HA 0.722 5.249 4.527 -0.000 0.000 0.354 174 F C 0.057 176.009 175.800 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 4.013 126.944 122.820 0.184 0.000 2.469 175 A HA 0.974 5.294 4.320 0.000 0.000 0.299 175 A C -2.976 174.543 177.584 -0.107 0.000 1.098 175 A CA -1.914 49.994 52.037 -0.215 0.000 0.737 175 A CB 2.092 20.878 19.000 -0.356 0.000 1.312 175 A HN 0.274 nan 8.150 nan 0.000 0.414 176 P HA 0.485 nan 4.420 nan 0.000 0.282 176 P C 0.678 177.995 177.300 0.030 0.000 1.249 176 P CA 1.377 64.407 63.100 -0.117 0.000 0.806 176 P CB 1.192 32.779 31.700 -0.190 0.000 0.984 177 G N 1.210 110.044 108.800 0.056 0.000 2.553 177 G HA2 0.301 4.261 3.960 0.000 0.000 0.242 177 G HA3 0.301 4.261 3.960 0.000 0.000 0.242 177 G C -0.039 174.800 174.900 -0.101 0.000 1.277 177 G CA 0.382 45.508 45.100 0.043 0.000 0.910 177 G HN 1.248 nan 8.290 nan 0.000 0.576 178 G N -1.948 106.648 108.800 -0.341 0.000 2.712 178 G HA2 0.345 4.305 3.960 0.000 0.000 0.686 178 G HA3 0.345 4.305 3.960 0.000 0.000 0.686 178 G C -0.434 174.301 174.900 -0.276 0.000 1.181 178 G CA -0.016 44.576 45.100 -0.847 0.000 0.762 178 G HN 1.591 nan 8.290 nan 0.000 0.641 179 I N 1.463 121.912 120.570 -0.201 0.000 2.342 179 I HA 0.209 4.379 4.170 0.000 0.000 0.291 179 I C 0.134 176.223 176.117 -0.046 0.000 1.010 179 I CA -0.506 60.770 61.300 -0.038 0.000 1.308 179 I CB 1.500 39.516 38.000 0.027 0.000 1.400 179 I HN 0.494 nan 8.210 nan 0.000 0.488 180 D N 7.618 128.028 120.400 0.016 0.000 2.402 180 D HA 0.088 4.728 4.640 0.000 0.000 0.235 180 D C 1.151 177.471 176.300 0.034 0.000 1.226 180 D CA -0.221 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 3.495 124.094 120.570 0.049 0.000 2.127 181 I HA -0.288 3.882 4.170 0.000 0.000 0.241 181 I C 1.765 177.973 176.117 0.152 0.000 1.075 181 I CA 0.910 62.289 61.300 0.132 0.000 1.334 181 I CB -0.956 37.129 38.000 0.142 0.000 1.040 181 I HN 0.389 nan 8.210 nan 0.000 0.405 182 N N 1.125 119.872 118.700 0.079 0.000 2.289 182 N HA -0.091 4.649 4.740 0.000 0.000 0.184 182 N C 1.678 177.192 175.510 0.007 0.000 1.016 182 N CA 1.409 54.494 53.050 0.059 0.000 0.872 182 N CB -0.222 38.280 38.487 0.025 0.000 0.973 182 N HN 0.402 nan 8.380 nan 0.000 0.433 183 A N -0.753 122.033 122.820 -0.056 0.000 2.218 183 A HA 0.178 4.498 4.320 0.000 0.000 0.209 183 A C 1.927 179.416 177.584 -0.158 0.000 1.168 183 A CA 0.409 52.346 52.037 -0.168 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 -0.988 114.600 115.700 -0.187 0.000 2.503 184 S HA 0.367 4.837 4.470 0.000 0.000 0.215 184 S C -0.278 173.885 174.600 -0.729 0.000 1.003 184 S CA 0.067 57.988 58.200 -0.466 0.000 0.910 184 S CB -0.047 62.739 63.200 -0.689 0.000 0.790 184 S HN 0.417 nan 8.310 nan 0.000 0.514 185 F N 1.474 121.408 119.950 -0.027 0.000 2.551 185 F HA 0.460 4.987 4.527 0.000 0.000 0.316 185 F C 0.330 176.133 175.800 0.004 0.000 1.089 185 F CA -1.243 56.746 58.000 -0.019 0.000 0.915 185 F CB 1.203 40.194 39.000 -0.014 0.000 1.186 185 F HN -0.258 nan 8.300 nan 0.000 0.456 186 S N 2.125 117.964 115.700 0.231 0.000 2.549 186 S HA 0.134 4.604 4.470 0.000 0.000 0.283 186 S C 1.348 176.066 174.600 0.197 0.000 1.320 186 S CA -0.692 57.622 58.200 0.190 0.000 1.058 186 S CB 0.701 64.050 63.200 0.249 0.000 0.882 186 S HN 0.622 nan 8.310 nan 0.000 0.498 187 R N 1.956 122.521 120.500 0.110 0.000 2.204 187 R HA -0.153 4.187 4.340 0.000 0.000 0.253 187 R C 0.562 176.860 176.300 -0.003 0.000 1.172 187 R CA 1.186 57.315 56.100 0.048 0.000 0.994 187 R CB -0.317 29.997 30.300 0.024 0.000 0.874 187 R HN 0.528 nan 8.270 nan 0.000 0.462 188 N N -0.416 118.281 118.700 -0.005 0.000 2.270 188 N HA 0.007 4.747 4.740 0.000 0.000 0.198 188 N C 0.117 175.370 175.510 -0.429 0.000 1.117 188 N CA 0.549 53.487 53.050 -0.186 0.000 0.845 188 N CB 0.553 38.920 38.487 -0.201 0.000 0.980 188 N HN 0.399 nan 8.380 nan 0.000 0.486 189 H N -1.840 117.226 119.070 -0.007 0.000 3.233 189 H HA 0.225 4.781 4.556 0.000 0.000 0.263 189 H C -0.194 175.022 175.328 -0.186 0.000 1.168 189 H CA -0.345 55.680 56.048 -0.038 0.000 1.159 189 H CB 0.459 30.258 29.762 0.061 0.000 1.593 189 H HN -0.046 nan 8.280 nan 0.000 0.580 190 N N 2.072 120.725 118.700 -0.078 0.000 2.406 190 N HA 0.072 4.812 4.740 0.000 0.000 0.251 190 N C -1.848 173.474 175.510 -0.313 0.000 1.069 190 N CA -2.080 50.854 53.050 -0.194 0.000 0.947 190 N CB 1.414 39.895 38.487 -0.011 0.000 1.111 190 N HN -0.045 nan 8.380 nan 0.000 0.497 191 P HA -0.068 nan 4.420 nan 0.000 0.212 191 P C -0.577 176.100 177.300 -1.039 0.000 1.178 191 P CA 1.553 64.189 63.100 -0.773 0.000 0.915 191 P CB 0.102 31.399 31.700 -0.672 0.000 0.788 192 F N -2.743 117.115 119.950 -0.155 0.000 2.824 192 F HA 0.322 4.849 4.527 -0.000 0.000 0.375 192 F C -1.728 174.001 175.800 -0.117 0.000 1.190 192 F CA -2.024 55.889 58.000 -0.144 0.000 1.180 192 F CB 0.917 39.791 39.000 -0.209 0.000 1.477 192 F HN -0.067 nan 8.300 nan 0.000 0.542 193 P HA -0.155 nan 4.420 nan 0.000 0.216 193 P C 1.014 178.337 177.300 0.038 0.000 1.150 193 P CA 1.328 64.444 63.100 0.027 0.000 0.837 193 P CB 0.348 32.058 31.700 0.017 0.000 0.786 194 N N 0.080 118.824 118.700 0.074 0.000 2.513 194 N HA -0.164 4.576 4.740 0.000 0.000 0.187 194 N C 1.633 177.215 175.510 0.119 0.000 1.056 194 N CA 0.782 53.899 53.050 0.112 0.000 0.907 194 N CB -0.452 38.127 38.487 0.154 0.000 0.954 194 N HN 0.445 nan 8.380 nan 0.000 0.445 195 E N 0.819 120.973 120.200 -0.076 0.000 2.385 195 E HA -0.068 4.282 4.350 0.000 0.000 0.194 195 E C -0.705 175.751 176.600 -0.239 0.000 1.013 195 E CA -0.014 56.115 56.400 -0.451 0.000 0.866 195 E CB 0.202 29.393 29.700 -0.848 0.000 0.832 195 E HN 0.113 nan 8.360 nan 0.000 0.500 196 D N 2.157 122.505 120.400 -0.086 0.000 2.803 196 D HA -0.199 4.441 4.640 0.000 0.000 0.233 196 D C -0.588 175.680 176.300 -0.053 0.000 1.182 196 D CA 0.843 54.823 54.000 -0.032 0.000 0.726 196 D CB -1.054 39.755 40.800 0.016 0.000 0.987 196 D HN 0.432 nan 8.370 nan 0.000 0.412 197 Q N -0.212 119.544 119.800 -0.072 0.000 2.299 197 Q HA 0.453 4.793 4.340 0.000 0.000 0.246 197 Q C 0.393 176.393 176.000 0.001 0.000 0.935 197 Q CA -0.331 55.438 55.803 -0.056 0.000 0.887 197 Q CB 1.415 30.113 28.738 -0.067 0.000 1.223 197 Q HN 0.237 nan 8.270 nan 0.000 0.439 198 I N 2.512 123.100 120.570 0.030 0.000 2.448 198 I HA 0.203 4.373 4.170 0.000 0.000 0.281 198 I C -0.352 175.764 176.117 -0.001 0.000 1.027 198 I CA -0.356 60.942 61.300 -0.003 0.000 1.111 198 I CB 1.332 39.366 38.000 0.057 0.000 1.236 198 I HN 0.459 nan 8.210 nan 0.000 0.452 199 T N 6.614 121.127 114.554 -0.069 0.000 2.806 199 T HA 0.524 4.874 4.350 0.000 0.000 0.290 199 T C -0.305 174.321 174.700 -0.122 0.000 0.966 199 T CA -0.011 62.109 62.100 0.034 0.000 1.060 199 T CB 0.475 69.379 68.868 0.060 0.000 0.927 199 T HN 0.130 nan 8.240 nan 0.000 0.485 200 F N 4.539 124.558 119.950 0.116 0.000 2.325 200 F HA 0.347 4.874 4.527 -0.000 0.000 0.369 200 F C -2.165 173.678 175.800 0.071 0.000 1.095 200 F CA -2.686 55.356 58.000 0.069 0.000 1.082 200 F CB 1.273 40.280 39.000 0.012 0.000 1.289 200 F HN 0.295 nan 8.300 nan 0.000 0.462 201 P HA 0.210 nan 4.420 nan 0.000 0.271 201 P C 0.766 177.958 177.300 -0.179 0.000 1.233 201 P CA 0.541 63.636 63.100 -0.008 0.000 0.764 201 P CB 1.003 32.678 31.700 -0.041 0.000 0.825 202 G N 2.378 111.027 108.800 -0.250 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 0.550 175.363 174.900 -0.144 0.000 0.982 202 G CA 0.209 45.138 45.100 -0.286 0.000 0.641 202 G HN 0.986 nan 8.290 nan 0.000 0.527 203 G N -0.884 107.901 108.800 -0.025 0.000 2.681 203 G HA2 0.119 4.079 3.960 0.000 0.000 0.220 203 G HA3 0.119 4.079 3.960 0.000 0.000 0.220 203 G C -0.350 174.567 174.900 0.028 0.000 1.353 203 G CA -0.064 45.056 45.100 0.034 0.000 0.872 203 G HN 1.409 nan 8.290 nan 0.000 0.557 204 I N 0.482 121.074 120.570 0.036 0.000 2.499 204 I HA 0.408 4.578 4.170 0.000 0.000 0.288 204 I C 0.719 176.892 176.117 0.094 0.000 1.048 204 I CA -0.832 60.488 61.300 0.034 0.000 1.062 204 I CB 1.981 39.951 38.000 -0.050 0.000 1.238 204 I HN 0.515 nan 8.210 nan 0.000 0.426 205 R N 6.256 126.863 120.500 0.179 0.000 2.641 205 R HA 0.181 4.521 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 -1.288 54.829 56.100 0.029 0.000 1.133 205 R CB 0.532 30.833 30.300 0.003 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 0.656 177.827 177.300 -0.215 0.000 1.148 206 P CA 1.319 64.295 63.100 -0.207 0.000 0.803 206 P CB 0.088 31.663 31.700 -0.208 0.000 0.782 207 E N -0.399 119.587 120.200 -0.357 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 0.806 56.938 56.400 -0.447 0.000 0.861 207 E CB -0.849 28.501 29.700 -0.583 0.000 0.788 207 E HN 0.254 nan 8.360 nan 0.000 0.521 208 F N 1.045 121.044 119.950 0.080 0.000 2.727 208 F HA 0.354 4.881 4.527 -0.000 0.000 0.302 208 F C 0.872 176.880 175.800 0.345 0.000 1.097 208 F CA -0.394 57.740 58.000 0.222 0.000 1.330 208 F CB 0.197 39.247 39.000 0.083 0.000 1.084 208 F HN -0.134 nan 8.300 nan 0.000 0.578 209 I N 0.384 121.148 120.570 0.322 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 61.025 61.300 0.164 0.000 1.197 209 I CB 1.644 39.701 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 4.363 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 56.883 56.100 -0.615 0.000 0.980 210 R CB 0.398 30.076 30.300 -1.037 0.000 0.879 210 R HN 0.842 nan 8.270 nan 0.000 0.439 211 S N -2.551 113.095 115.700 -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 0.182 0.000 1.178 211 S CA -0.757 57.495 58.200 0.088 0.000 0.838 211 S CB 2.009 65.186 63.200 -0.037 0.000 1.178 211 S HN -0.001 nan 8.310 nan 0.000 0.494 212 T N 0.232 114.864 114.554 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 0.027 0.000 1.360 212 T CA -0.388 61.613 62.100 -0.165 0.000 1.055 212 T CB 0.917 69.339 68.868 -0.743 0.000 1.261 212 T HN 0.520 nan 8.240 nan 0.000 0.485 213 Y N 2.184 122.395 120.300 -0.149 0.000 2.330 213 Y HA 0.493 5.043 4.550 0.000 0.000 0.336 213 Y C 0.587 176.356 175.900 -0.218 0.000 1.036 213 Y CA -1.595 56.361 58.100 -0.239 0.000 1.125 213 Y CB 1.312 39.498 38.460 -0.456 0.000 1.194 213 Y HN 0.629 nan 8.280 nan 0.000 0.469 214 E N 3.618 123.803 120.200 -0.025 0.000 2.109 214 E HA 0.313 4.663 4.350 0.000 0.000 0.278 214 E C -1.751 174.673 176.600 -0.292 0.000 0.954 214 E CA -0.400 55.908 56.400 -0.154 0.000 0.779 214 E CB 0.520 30.311 29.700 0.152 0.000 1.093 214 E HN 0.533 nan 8.360 nan 0.000 0.401 215 Y N 2.353 122.595 120.300 -0.097 0.000 2.387 215 Y HA 0.325 4.875 4.550 -0.000 0.000 0.336 215 Y C -0.128 175.873 175.900 0.168 0.000 1.067 215 Y CA -0.543 57.565 58.100 0.013 0.000 1.114 215 Y CB 1.605 40.120 38.460 0.093 0.000 1.208 215 Y HN 0.498 nan 8.280 nan 0.000 0.458 216 H N 2.142 121.277 119.070 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 0.065 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 2.288 121.076 118.700 0.148 0.000 2.725 217 N HA -0.248 4.492 4.740 0.000 0.000 0.249 217 N C 1.008 176.562 175.510 0.072 0.000 1.103 217 N CA 0.367 53.465 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 -1.374 107.482 108.800 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 -0.357 174.657 174.900 0.189 0.000 0.977 218 G CA 0.480 45.607 45.100 0.045 0.000 0.652 218 G HN 0.425 nan 8.290 nan 0.000 0.531 219 E N -0.040 120.309 120.200 0.248 0.000 2.199 219 E HA 0.534 4.884 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 1.493 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 2.473 123.001 120.570 -0.069 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 -0.405 0.000 1.412 220 I CB 0.414 38.068 38.000 -0.578 0.000 1.396 220 I HN 0.349 nan 8.210 nan 0.000 0.543 221 V N 2.780 122.478 119.914 -0.359 0.000 3.604 221 V HA 0.417 4.537 4.120 0.000 0.000 0.277 221 V C 0.449 176.361 176.094 -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 31.581 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 2.029 32.116 30.300 -0.355 0.000 1.258 222 R HN 0.291 nan 8.270 nan 0.000 0.465 223 I N 2.813 123.209 120.570 -0.291 0.000 2.389 223 I HA 0.399 4.569 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 1.450 39.422 38.000 -0.047 0.000 1.288 223 I HN 0.470 nan 8.210 nan 0.000 0.444 224 W N 7.007 128.302 121.300 -0.008 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 1.211 30.721 29.460 0.083 0.000 1.325 224 W HN 0.090 nan 8.180 nan 0.000 0.496 225 I N 3.625 124.268 120.570 0.121 0.000 2.377 225 I HA 0.123 4.293 4.170 0.000 0.000 0.293 225 I C -0.194 175.938 176.117 0.026 0.000 0.987 225 I CA -1.132 60.111 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 8.541 127.092 118.700 -0.247 0.000 2.469 226 N HA 0.296 5.036 4.740 0.000 0.000 0.239 226 N C -1.998 173.518 175.510 0.009 0.000 1.053 226 N CA -2.065 50.727 53.050 -0.430 0.000 0.937 226 N CB 1.424 39.291 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 0.068 177.478 177.300 0.184 0.000 1.147 227 P CA 0.913 64.179 63.100 0.277 0.000 0.790 227 P CB 0.309 32.212 31.700 0.339 0.000 0.780 228 N N -1.055 117.728 118.700 0.137 0.000 2.314 228 N HA 0.019 4.759 4.740 0.000 0.000 0.200 228 N C 0.161 175.678 175.510 0.013 0.000 1.135 228 N CA -0.151 52.938 53.050 0.066 0.000 0.835 228 N CB -0.472 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 1.656 121.551 119.950 -0.091 0.000 2.607 229 F HA -0.039 4.488 4.527 0.000 0.000 0.374 229 F C 1.690 177.450 175.800 -0.065 0.000 1.104 229 F CA -0.726 57.217 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 3.939 123.966 120.570 -0.905 0.000 2.290 230 I HA -0.310 3.860 4.170 0.000 0.000 0.253 230 I C 0.824 176.611 176.117 -0.551 0.000 1.112 230 I CA 1.597 62.488 61.300 -0.682 0.000 1.377 230 I CB -0.948 36.700 38.000 -0.587 0.000 1.060 230 I HN 0.709 nan 8.210 nan 0.000 0.428 231 N N -0.368 117.886 118.700 -0.742 0.000 2.804 231 N HA 0.237 4.977 4.740 0.000 0.000 0.251 231 N C -2.071 173.480 175.510 0.068 0.000 1.250 231 N CA -1.279 51.639 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 -0.101 nan 8.380 nan 0.000 0.512 232 P HA -0.128 nan 4.420 nan 0.000 0.225 232 P C 1.120 178.498 177.300 0.130 0.000 1.148 232 P CA 0.918 64.106 63.100 0.145 0.000 0.779 232 P CB 0.137 31.890 31.700 0.087 0.000 0.780 233 S N -1.260 114.491 115.700 0.085 0.000 2.481 233 S HA -0.084 4.386 4.470 0.000 0.000 0.231 233 S C 1.674 176.321 174.600 0.078 0.000 0.996 233 S CA 1.407 59.648 58.200 0.067 0.000 0.942 233 S CB -1.742 61.479 63.200 0.036 0.000 0.768 233 S HN 0.316 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 1.552 176.303 174.700 0.085 0.000 1.096 234 T CA -0.125 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 1.070 122.371 121.223 0.130 0.000 2.129 235 L HA -0.119 4.221 4.340 0.000 0.000 0.212 235 L C 2.271 179.205 176.870 0.106 0.000 1.087 235 L CA 1.606 56.519 54.840 0.122 0.000 0.757 235 L CB -0.842 41.344 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 0.111 0.000 2.512 236 N HA -0.130 4.611 4.740 0.000 0.000 0.183 236 N C 0.866 176.418 175.510 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 0.292 nan 8.380 nan 0.000 0.447 237 D N 0.037 120.470 120.400 0.056 0.000 2.355 237 D HA 0.002 4.642 4.640 0.000 0.000 0.218 237 D C -0.009 176.326 176.300 0.058 0.000 1.004 237 D CA 0.246 54.276 54.000 0.050 0.000 0.880 237 D CB 0.146 40.966 40.800 0.034 0.000 0.911 237 D HN -0.017 nan 8.370 nan 0.000 0.528 238 V N 2.230 122.172 119.914 0.046 0.000 2.493 238 V HA 0.023 4.143 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 -0.110 62.218 62.300 0.047 0.000 1.097 238 V CB 0.523 32.348 31.823 0.004 0.000 0.947 238 V HN 0.133 nan 8.190 nan 0.000 0.479 239 S N 3.854 119.621 115.700 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 -0.045 58.233 58.200 0.129 0.000 1.008 239 S CB 2.097 65.382 63.200 0.141 0.000 1.026 239 S HN 1.407 nan 8.310 nan 0.000 0.541 240 G N -0.006 108.853 108.800 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 -3.438 171.432 174.900 -0.050 0.000 1.413 240 G CA -0.956 44.141 45.100 -0.005 0.000 0.817 240 G HN 0.659 nan 8.290 nan 0.000 0.546 241 P HA 0.357 nan 4.420 nan 0.000 0.271 241 P C 0.305 177.565 177.300 -0.067 0.000 1.244 241 P CA -0.242 62.808 63.100 -0.083 0.000 0.793 241 P CB 0.476 32.106 31.700 -0.117 0.000 0.984 242 S N 0.295 115.968 115.700 -0.046 0.000 2.586 242 S HA 0.281 4.751 4.470 0.000 0.000 0.274 242 S C 0.425 174.997 174.600 -0.046 0.000 1.281 242 S CA -0.442 57.736 58.200 -0.035 0.000 1.035 242 S CB 0.305 63.494 63.200 -0.018 0.000 0.962 242 S HN 0.550 nan 8.310 nan 0.000 0.512 243 N N -0.411 118.265 118.700 -0.041 0.000 2.776 243 N HA -0.155 4.585 4.740 0.000 0.000 0.249 243 N C -1.147 174.321 175.510 -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 0.329 120.845 120.570 -0.091 0.000 2.392 244 I HA 0.180 4.350 4.170 0.000 0.000 0.295 244 I C 0.706 176.744 176.117 -0.133 0.000 0.985 244 I CA -0.605 60.618 61.300 -0.129 0.000 1.221 244 I CB 1.535 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 6.332 121.942 115.700 -0.150 0.000 2.673 245 S HA -0.046 4.424 4.470 0.000 0.000 0.308 245 S C -0.176 174.290 174.600 -0.223 0.000 1.246 245 S CA 0.207 58.307 58.200 -0.166 0.000 1.077 245 S CB -0.103 62.983 63.200 -0.191 0.000 0.814 245 S HN 0.532 nan 8.310 nan 0.000 0.503 246 K N 4.774 125.067 120.400 -0.180 0.000 2.358 246 K HA 0.589 4.909 4.320 0.000 0.000 0.260 246 K C -1.515 174.950 176.600 -0.225 0.000 0.956 246 K CA -0.745 55.415 56.287 -0.212 0.000 0.834 246 K CB 1.165 33.598 32.500 -0.113 0.000 1.102 246 K HN 0.466 nan 8.250 nan 0.000 0.431 247 V N 5.174 124.842 119.914 -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 -0.837 61.264 62.300 -0.333 0.000 0.888 247 V CB 1.395 32.730 31.823 -0.812 0.000 0.995 247 V HN 0.628 nan 8.190 nan 0.000 0.429 248 F N 3.098 123.115 119.950 0.113 0.000 2.404 248 F HA 0.326 4.853 4.527 -0.000 0.000 0.358 248 F C 0.222 176.262 175.800 0.400 0.000 1.120 248 F CA -0.064 58.091 58.000 0.259 0.000 1.144 248 F CB 0.665 39.785 39.000 0.199 0.000 1.133 248 F HN 0.614 nan 8.300 nan 0.000 0.495 249 W N 5.824 127.381 121.300 0.429 0.000 2.150 249 W HA 0.351 5.011 4.660 -0.000 0.000 0.341 249 W C -0.420 176.344 176.519 0.409 0.000 1.276 249 W CA 0.154 57.769 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 0.590 119.216 119.070 -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 -1.675 0.000 1.263 250 H CA -1.269 54.188 56.048 -0.983 0.000 1.129 250 H CB 0.675 30.253 29.762 -0.306 0.000 1.861 250 H HN 0.482 nan 8.280 nan 0.000 0.546 251 E N 0.813 120.390 120.200 -1.038 0.000 2.568 251 E HA -0.098 4.252 4.350 0.000 0.000 0.262 251 E C -0.316 176.176 176.600 -0.180 0.000 0.961 251 E CA 0.860 56.977 56.400 -0.472 0.000 0.945 251 E CB -0.025 29.615 29.700 -0.100 0.000 0.924 251 E HN 0.828 nan 8.360 nan 0.000 0.467 252 N N 1.259 119.936 118.700 -0.040 0.000 2.725 252 N HA -0.240 4.500 4.740 0.000 0.000 0.249 252 N C -0.322 175.178 175.510 -0.018 0.000 1.103 252 N CA 0.114 53.175 53.050 0.018 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 1.147 120.053 119.070 -0.273 0.000 3.001 253 H HA 0.042 4.598 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 1.466 57.325 56.048 -0.315 0.000 1.420 253 H CB 0.899 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 2.908 118.602 115.700 -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 1.603 59.887 58.200 0.141 0.000 0.982 254 S CB 0.045 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 0.364 120.920 120.200 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 0.080 56.782 56.400 0.502 0.000 0.921 255 E CB 0.421 30.398 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 0.350 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 -0.113 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 0.255 175.810 175.510 0.076 0.000 1.212 257 N CA -0.529 52.539 53.050 0.029 0.000 0.883 257 N CB 0.562 39.078 38.487 0.049 0.000 1.107 257 N HN 0.076 nan 8.380 nan 0.000 0.519 271 N N 5.242 123.663 118.700 -0.465 0.000 2.527 271 N HA 0.160 4.900 4.740 0.000 0.000 0.236 271 N C 0.590 175.648 175.510 -0.754 0.000 0.999 271 N CA -0.039 52.760 53.050 -0.418 0.000 0.935 271 N CB 1.253 39.687 38.487 -0.089 0.000 1.132 271 N HN 0.890 nan 8.380 nan 0.000 0.511 272 Q N 1.231 120.547 119.800 -0.806 0.000 2.364 272 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 272 Q C -0.616 175.344 176.000 -0.067 0.000 0.977 272 Q CA 1.182 56.699 55.803 -0.477 0.000 0.885 272 Q CB 0.161 28.845 28.738 -0.089 0.000 0.941 272 Q HN 0.377 nan 8.270 nan 0.000 0.464 273 D N -0.242 120.143 120.400 -0.025 0.000 2.363 273 D HA 0.068 4.708 4.640 0.000 0.000 0.214 273 D C 0.794 177.171 176.300 0.129 0.000 1.093 273 D CA -0.243 53.806 54.000 0.081 0.000 0.837 273 D CB -0.151 40.709 40.800 0.100 0.000 0.948 273 D HN 0.163 nan 8.370 nan 0.000 0.507 274 F N 1.744 121.691 119.950 -0.006 0.000 2.126 274 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 274 F C 0.968 176.851 175.800 0.139 0.000 1.096 274 F CA 1.155 59.186 58.000 0.052 0.000 1.255 274 F CB 0.264 39.282 39.000 0.029 0.000 0.997 274 F HN -0.185 nan 8.300 nan 0.000 0.479 278 A N 5.347 127.660 122.820 -0.844 0.000 1.896 278 A HA -0.090 4.230 4.320 0.000 0.000 0.220 278 A C -1.048 176.087 177.584 -0.747 0.000 1.206 278 A CA 2.462 54.019 52.037 -0.801 0.000 0.647 278 A CB -1.868 16.638 19.000 -0.823 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 0.257 177.303 177.300 -0.423 0.000 1.151 279 P CA 0.902 63.531 63.100 -0.785 0.000 0.770 279 P CB -0.190 30.992 31.700 -0.862 0.000 0.786 280 N N -0.634 117.796 118.700 -0.450 0.000 2.370 280 N HA 0.172 4.912 4.740 0.000 0.000 0.198 280 N C 0.963 176.066 175.510 -0.678 0.000 1.156 280 N CA 0.423 53.258 53.050 -0.358 0.000 0.839 280 N CB 0.266 38.514 38.487 -0.398 0.000 0.989 280 N HN 0.152 nan 8.380 nan 0.000 0.468 281 G N -0.436 107.795 108.800 -0.949 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 -1.710 172.433 174.900 -1.260 0.000 1.292 281 G CA -0.639 43.471 45.100 -1.651 0.000 0.811 281 G HN 0.151 nan 8.290 nan 0.000 0.482 282 E N -1.857 117.460 120.200 -1.470 0.000 2.421 282 E HA 0.291 4.641 4.350 0.000 0.000 0.278 282 E C -1.627 174.587 176.600 -0.643 0.000 1.141 282 E CA -0.985 54.971 56.400 -0.741 0.000 0.880 282 E CB 0.823 30.349 29.700 -0.291 0.000 1.381 282 E HN 0.443 nan 8.360 nan 0.000 0.436 283 I N 2.516 122.958 120.570 -0.214 0.000 2.308 283 I HA 0.176 4.346 4.170 0.000 0.000 0.293 283 I C -1.425 174.624 176.117 -0.113 0.000 1.078 283 I CA -1.866 59.372 61.300 -0.102 0.000 1.292 283 I CB 0.840 38.859 38.000 0.031 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 -0.458 176.804 177.300 -0.064 0.000 1.150 284 P CA 1.281 64.314 63.100 -0.113 0.000 0.814 284 P CB 0.068 31.686 31.700 -0.136 0.000 0.787 285 N N -2.729 115.945 118.700 -0.044 0.000 3.395 285 N HA 0.112 4.852 4.740 0.000 0.000 0.293 285 N C -0.740 174.765 175.510 -0.009 0.000 1.489 285 N CA -0.720 52.316 53.050 -0.023 0.000 0.871 285 N CB -0.605 37.867 38.487 -0.024 0.000 1.649 285 N HN -0.380 nan 8.380 nan 0.000 0.501 286 N N -0.890 117.809 118.700 -0.001 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 0.009 0.000 1.199 286 N CA -0.306 52.748 53.050 0.007 0.000 0.879 286 N CB -0.335 38.160 38.487 0.013 0.000 1.159 286 N HN 0.415 nan 8.380 nan 0.000 0.514 287 N N 0.703 119.406 118.700 0.005 0.000 2.444 287 N HA 0.152 4.892 4.740 0.000 0.000 0.255 287 N C 0.421 175.940 175.510 0.015 0.000 1.255 287 N CA -0.058 52.997 53.050 0.009 0.000 0.933 287 N CB 1.176 39.666 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 0.767 177.655 176.870 0.030 0.000 1.182 288 L CA -0.433 54.423 54.840 0.027 0.000 0.858 288 L CB 0.270 42.348 42.059 0.032 0.000 1.120 288 L HN 0.295 nan 8.230 nan 0.000 0.474 289 L N 4.745 125.989 121.223 0.036 0.000 2.648 289 L HA 0.136 4.476 4.340 0.000 0.000 0.238 289 L C 0.647 177.552 176.870 0.058 0.000 1.316 289 L CA 0.310 55.184 54.840 0.056 0.000 1.241 289 L CB -0.879 41.221 42.059 0.069 0.000 1.499 289 L HN 0.694 nan 8.230 nan 0.000 0.411 290 N N -1.337 117.388 118.700 0.042 0.000 2.200 290 N HA 0.085 4.825 4.740 0.000 0.000 0.224 290 N C -0.221 175.299 175.510 0.016 0.000 1.179 290 N CA -0.389 52.681 53.050 0.032 0.000 0.877 290 N CB -0.116 38.391 38.487 0.033 0.000 1.072 290 N HN 0.405 nan 8.380 nan 0.000 0.519 291 N N -0.260 118.450 118.700 0.016 0.000 2.813 291 N HA 0.260 5.000 4.740 0.000 0.000 0.320 291 N C -0.148 175.356 175.510 -0.010 0.000 1.315 291 N CA -0.847 52.205 53.050 0.004 0.000 0.871 291 N CB -0.000 38.494 38.487 0.012 0.000 1.241 291 N HN -0.054 nan 8.380 nan 0.000 0.602 292 N N -1.608 117.083 118.700 -0.015 0.000 2.461 292 N HA 0.014 4.754 4.740 0.000 0.000 0.188 292 N C -0.178 175.353 175.510 0.035 0.000 1.134 292 N CA -0.009 53.021 53.050 -0.033 0.000 0.878 292 N CB 0.133 38.594 38.487 -0.044 0.000 0.972 292 N HN 0.627 nan 8.380 nan 0.000 0.456 293 S N 0.085 115.829 115.700 0.074 0.000 2.758 293 S HA 0.356 4.826 4.470 0.000 0.000 0.292 293 S C 0.452 175.157 174.600 0.175 0.000 1.131 293 S CA -0.844 57.428 58.200 0.120 0.000 0.997 293 S CB 0.960 64.189 63.200 0.049 0.000 1.111 293 S HN 0.116 nan 8.310 nan 0.000 0.552 294 L N -1.212 120.059 121.223 0.080 0.000 2.741 294 L HA 0.542 4.882 4.340 0.000 0.000 0.237 294 L C 0.255 177.123 176.870 -0.003 0.000 1.178 294 L CA -0.282 54.572 54.840 0.024 0.000 0.973 294 L CB -1.849 40.038 42.059 -0.285 0.000 1.255 294 L HN 0.874 nan 8.230 nan 0.000 0.498 295 N N -1.157 117.545 118.700 0.004 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 -0.055 0.000 1.107 295 N CA 0.419 53.460 53.050 -0.014 0.000 0.707 295 N CB -0.811 37.679 38.487 0.004 0.000 1.054 295 N HN 0.282 nan 8.380 nan 0.000 0.555 296 V N 1.536 121.402 119.914 -0.080 0.000 2.487 296 V HA 0.411 4.531 4.120 0.000 0.000 0.298 296 V C 0.617 176.665 176.094 -0.077 0.000 1.028 296 V CA -0.671 61.566 62.300 -0.104 0.000 0.860 296 V CB 1.841 33.566 31.823 -0.164 0.000 0.991 296 V HN 0.114 nan 8.190 nan 0.000 0.427 297 I N 4.838 125.367 120.570 -0.068 0.000 2.683 297 I HA 0.056 4.226 4.170 0.000 0.000 0.286 297 I C 0.866 176.950 176.117 -0.054 0.000 1.175 297 I CA 0.256 61.524 61.300 -0.053 0.000 1.429 297 I CB 0.336 38.307 38.000 -0.048 0.000 1.371 297 I HN 0.616 nan 8.210 nan 0.000 0.569 298 Q N 0.000 119.775 119.800 -0.042 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 -0.038 0.000 1.022 298 Q CB 0.000 28.723 28.738 -0.026 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481