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_I 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 -0.514 0.000 2.593 34 S HA 0.041 4.511 4.470 0.000 0.000 0.303 34 S C -2.411 171.767 174.600 -0.704 0.000 1.267 34 S CA -0.368 57.324 58.200 -0.846 0.000 1.047 34 S CB -0.047 62.924 63.200 -0.381 0.000 0.777 34 S HN 0.183 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 -0.273 0.000 1.238 35 P CA -0.679 62.102 63.100 -0.531 0.000 0.794 35 P CB 0.622 31.909 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 1.608 57.834 56.287 -0.101 0.000 0.935 36 K CB -0.510 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 -1.037 119.357 120.400 -0.010 0.000 2.585 37 D HA 0.041 4.681 4.640 0.000 0.000 0.254 37 D C 0.126 176.525 176.300 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 -1.224 117.574 118.700 0.164 0.000 2.313 38 N HA -0.012 4.728 4.740 0.000 0.000 0.207 38 N C 0.467 176.050 175.510 0.122 0.000 1.141 38 N CA -0.064 53.105 53.050 0.198 0.000 0.830 38 N CB -0.394 38.127 38.487 0.056 0.000 1.008 38 N HN 0.366 nan 8.380 nan 0.000 0.481 39 T N 0.465 115.119 114.554 0.167 0.000 2.737 39 T HA -0.153 4.197 4.350 0.000 0.000 0.269 39 T C 1.383 176.147 174.700 0.107 0.000 1.040 39 T CA 1.680 63.838 62.100 0.097 0.000 1.142 39 T CB -0.378 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 2.997 124.262 121.300 -0.058 0.000 2.364 40 W HA 0.002 4.662 4.660 0.000 0.000 0.281 40 W C 1.322 177.814 176.519 -0.046 0.000 1.219 40 W CA 0.723 58.025 57.345 -0.071 0.000 1.220 40 W CB -1.073 28.344 29.460 -0.071 0.000 1.127 40 W HN 0.432 nan 8.180 nan 0.000 0.556 41 I N -1.484 118.728 120.570 -0.597 0.000 3.936 41 I HA 0.273 4.443 4.170 0.000 0.000 0.330 41 I C 1.733 177.686 176.117 -0.272 0.000 1.509 41 I CA -0.317 60.649 61.300 -0.557 0.000 1.126 41 I CB -0.283 37.174 38.000 -0.905 0.000 1.115 41 I HN -0.105 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 4.368 4.340 0.000 0.000 0.207 42 Q C 2.221 178.185 176.000 -0.060 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 0.067 0.000 1.161 43 A CA 0.321 52.302 52.037 -0.093 0.000 0.782 43 A CB -0.164 18.684 19.000 -0.254 0.000 0.816 43 A HN 0.312 nan 8.150 nan 0.000 0.477 44 A N 0.063 122.870 122.820 -0.022 0.000 2.598 44 A HA 0.211 4.531 4.320 0.000 0.000 0.239 44 A C 1.446 178.988 177.584 -0.070 0.000 1.032 44 A CA 0.842 52.826 52.037 -0.089 0.000 0.760 44 A CB 0.009 18.875 19.000 -0.223 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 0.076 4.546 4.470 0.000 0.000 0.223 45 S C 0.863 175.373 174.600 -0.151 0.000 1.034 45 S CA 0.392 58.546 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 -0.295 0.000 2.384 46 L HA 0.159 4.499 4.340 0.000 0.000 0.258 46 L C 1.710 178.130 176.870 -0.750 0.000 1.266 46 L CA -0.099 54.384 54.840 -0.594 0.000 1.162 46 L CB -0.054 41.480 42.059 -0.874 0.000 1.375 46 L HN 0.431 nan 8.230 nan 0.000 0.420 47 T N -2.612 111.716 114.554 -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 -0.165 0.000 1.066 47 T CA 0.822 62.797 62.100 -0.210 0.000 1.130 47 T CB -0.255 68.584 68.868 -0.048 0.000 0.864 47 T HN 0.748 nan 8.240 nan 0.000 0.481 48 W N 1.270 122.552 121.300 -0.030 0.000 2.468 48 W HA 0.292 4.952 4.660 0.000 0.000 0.262 48 W C 0.734 177.229 176.519 -0.039 0.000 1.241 48 W CA -0.628 56.700 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 0.245 0.000 2.368 54 S HA 0.009 4.479 4.470 0.000 0.000 0.224 54 S C 1.718 176.449 174.600 0.220 0.000 1.029 54 S CA 1.607 59.927 58.200 0.200 0.000 0.988 54 S CB -0.488 62.776 63.200 0.106 0.000 0.838 54 S HN 0.516 nan 8.310 nan 0.000 0.462 55 L N 1.702 123.031 121.223 0.177 0.000 2.046 55 L HA -0.006 4.334 4.340 0.000 0.000 0.208 55 L C 2.019 178.998 176.870 0.182 0.000 1.077 55 L CA 1.540 56.470 54.840 0.150 0.000 0.747 55 L CB -0.847 41.283 42.059 0.118 0.000 0.896 55 L HN 0.297 nan 8.230 nan 0.000 0.432 56 L N -1.315 120.050 121.223 0.237 0.000 2.046 56 L HA -0.226 4.115 4.340 0.000 0.000 0.208 56 L C 2.429 179.513 176.870 0.356 0.000 1.077 56 L CA 1.952 56.952 54.840 0.266 0.000 0.747 56 L CB -1.031 41.167 42.059 0.231 0.000 0.896 56 L HN 0.468 nan 8.230 nan 0.000 0.432 57 Y N -0.310 120.194 120.300 0.339 0.000 2.224 57 Y HA -0.269 4.281 4.550 0.000 0.000 0.289 57 Y C 2.505 178.434 175.900 0.049 0.000 1.146 57 Y CA 1.941 60.122 58.100 0.136 0.000 1.182 57 Y CB -0.041 38.355 38.460 -0.108 0.000 0.983 57 Y HN 0.335 nan 8.280 nan 0.000 0.524 58 Q N -0.432 119.449 119.800 0.135 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 -0.033 0.000 0.978 58 Q CA 1.267 57.089 55.803 0.033 0.000 0.833 58 Q CB -0.852 27.937 28.738 0.085 0.000 0.895 58 Q HN 0.447 nan 8.270 nan 0.000 0.427 59 L N 0.941 122.180 121.223 0.026 0.000 2.051 59 L HA -0.194 4.146 4.340 0.000 0.000 0.214 59 L C 2.199 179.063 176.870 -0.011 0.000 1.076 59 L CA 1.606 56.460 54.840 0.022 0.000 0.758 59 L CB -0.740 41.359 42.059 0.068 0.000 0.890 59 L HN 0.178 nan 8.230 nan 0.000 0.433 60 I N -2.170 118.392 120.570 -0.013 0.000 2.277 60 I HA -0.229 3.941 4.170 0.000 0.000 0.243 60 I C 2.362 178.383 176.117 -0.161 0.000 1.094 60 I CA 0.996 62.284 61.300 -0.020 0.000 1.393 60 I CB -0.356 37.687 38.000 0.072 0.000 1.078 60 I HN 0.099 nan 8.210 nan 0.000 0.417 61 S N 0.336 115.836 115.700 -0.334 0.000 2.400 61 S HA -0.194 4.276 4.470 0.000 0.000 0.232 61 S C 2.082 176.559 174.600 -0.204 0.000 1.025 61 S CA 2.053 60.031 58.200 -0.370 0.000 0.993 61 S CB -0.486 62.370 63.200 -0.574 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 -0.152 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 -0.120 0.000 1.127 62 T CA 0.543 62.579 62.100 -0.107 0.000 1.107 62 T CB -0.096 68.731 68.868 -0.068 0.000 0.910 62 T HN 0.088 nan 8.240 nan 0.000 0.513 63 R N 0.691 121.093 120.500 -0.163 0.000 2.466 63 R HA 0.443 4.783 4.340 0.000 0.000 0.279 63 R C -0.171 176.017 176.300 -0.187 0.000 0.976 63 R CA -0.101 55.862 56.100 -0.227 0.000 1.081 63 R CB -0.059 29.971 30.300 -0.452 0.000 1.215 63 R HN 0.520 nan 8.270 nan 0.000 0.546 64 I N 2.496 122.979 120.570 -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 -0.122 0.000 1.130 64 I CB 1.866 39.835 38.000 -0.053 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 0.737 177.680 177.300 -0.595 0.000 1.195 65 P CA 0.107 62.864 63.100 -0.572 0.000 0.768 65 P CB 0.735 31.690 31.700 -1.243 0.000 0.838 66 S N 1.740 117.240 115.700 -0.332 0.000 2.420 66 S HA -0.189 4.281 4.470 0.000 0.000 0.237 66 S C 1.398 175.888 174.600 -0.184 0.000 1.023 66 S CA 1.542 59.633 58.200 -0.180 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 1.152 121.010 119.950 -0.153 0.000 2.407 67 F HA 0.379 4.906 4.527 0.000 0.000 0.299 67 F C 2.137 177.665 175.800 -0.453 0.000 1.097 67 F CA 0.182 58.023 58.000 -0.265 0.000 1.422 67 F CB -0.828 38.000 39.000 -0.287 0.000 1.067 67 F HN 0.133 nan 8.300 nan 0.000 0.539 68 A N -0.512 121.867 122.820 -0.735 0.000 1.898 68 A HA 0.089 4.409 4.320 0.000 0.000 0.214 68 A C 1.530 179.135 177.584 0.035 0.000 1.183 68 A CA 1.116 52.972 52.037 -0.301 0.000 0.622 68 A CB -0.678 18.200 19.000 -0.202 0.000 0.824 68 A HN 0.294 nan 8.150 nan 0.000 0.444 69 S N -0.375 115.267 115.700 -0.096 0.000 2.130 69 S HA 0.459 4.929 4.470 0.000 0.000 0.165 69 S C -2.099 172.429 174.600 -0.121 0.000 1.677 69 S CA -1.357 56.764 58.200 -0.133 0.000 1.227 69 S CB 0.564 63.615 63.200 -0.248 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 0.215 70 P C 0.312 177.582 177.300 -0.050 0.000 1.157 70 P CA 1.483 64.555 63.100 -0.047 0.000 0.874 70 P CB 0.018 31.707 31.700 -0.017 0.000 0.790 71 N N -1.462 117.203 118.700 -0.058 0.000 2.270 71 N HA 0.317 5.057 4.740 0.000 0.000 0.198 71 N C 0.646 176.121 175.510 -0.059 0.000 1.117 71 N CA 0.500 53.521 53.050 -0.049 0.000 0.845 71 N CB 0.262 38.728 38.487 -0.034 0.000 0.980 71 N HN 0.141 nan 8.380 nan 0.000 0.486 72 G N 0.538 109.284 108.800 -0.091 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 -0.583 174.231 174.900 -0.144 0.000 1.370 72 G CA -0.941 44.107 45.100 -0.087 0.000 0.856 72 G HN 0.122 nan 8.290 nan 0.000 0.538 73 L N 1.476 122.623 121.223 -0.127 0.000 2.453 73 L HA 0.301 4.641 4.340 0.000 0.000 0.272 73 L C 1.315 178.123 176.870 -0.103 0.000 1.182 73 L CA -0.475 54.260 54.840 -0.175 0.000 0.858 73 L CB 0.694 42.673 42.059 -0.132 0.000 1.120 73 L HN 0.766 nan 8.230 nan 0.000 0.474 77 E N 1.439 121.714 120.200 0.125 0.000 2.244 77 E HA 0.260 4.610 4.350 0.000 0.000 0.266 77 E C -0.786 175.917 176.600 0.171 0.000 0.914 77 E CA -0.758 55.705 56.400 0.105 0.000 0.794 77 E CB 1.808 31.567 29.700 0.098 0.000 1.210 77 E HN 0.482 nan 8.360 nan 0.000 0.414 78 Q N -0.079 119.755 119.800 0.056 0.000 2.475 78 Q HA -0.214 4.126 4.340 0.000 0.000 0.280 78 Q C 0.789 176.607 176.000 -0.304 0.000 1.234 78 Q CA 0.852 56.633 55.803 -0.038 0.000 0.873 78 Q CB -1.818 26.959 28.738 0.065 0.000 1.256 78 Q HN 0.798 nan 8.270 nan 0.000 0.475 79 T N -3.129 111.330 114.554 -0.160 0.000 3.067 79 T HA 0.237 4.587 4.350 0.000 0.000 0.261 79 T C 0.694 175.308 174.700 -0.144 0.000 1.110 79 T CA 0.375 62.366 62.100 -0.182 0.000 1.113 79 T CB 0.359 69.239 68.868 0.021 0.000 0.917 79 T HN 0.334 nan 8.240 nan 0.000 0.499 80 I N 1.810 122.314 120.570 -0.110 0.000 2.465 80 I HA 0.304 4.474 4.170 0.000 0.000 0.291 80 I C -0.700 175.377 176.117 -0.067 0.000 1.014 80 I CA -1.093 60.167 61.300 -0.067 0.000 1.093 80 I CB 1.975 39.954 38.000 -0.035 0.000 1.267 80 I HN 0.005 nan 8.210 nan 0.000 0.431 81 D N 4.265 124.633 120.400 -0.053 0.000 2.363 81 D HA -0.002 4.638 4.640 0.000 0.000 0.263 81 D C 1.302 177.588 176.300 -0.024 0.000 1.258 81 D CA 0.217 54.193 54.000 -0.039 0.000 0.907 81 D CB 1.134 41.915 40.800 -0.031 0.000 1.107 81 D HN 0.629 nan 8.370 nan 0.000 0.495 82 S N 3.607 119.295 115.700 -0.020 0.000 2.440 82 S HA -0.194 4.276 4.470 0.000 0.000 0.238 82 S C 1.259 175.853 174.600 -0.009 0.000 1.010 82 S CA 0.707 58.900 58.200 -0.013 0.000 0.972 82 S CB 0.021 63.216 63.200 -0.008 0.000 0.774 82 S HN 0.501 nan 8.310 nan 0.000 0.501 83 N N 1.151 119.845 118.700 -0.009 0.000 2.409 83 N HA 0.032 4.772 4.740 0.000 0.000 0.174 83 N C 1.737 177.242 175.510 -0.008 0.000 1.037 83 N CA 1.613 54.659 53.050 -0.007 0.000 0.898 83 N CB -0.033 38.451 38.487 -0.006 0.000 1.010 83 N HN 0.824 nan 8.380 nan 0.000 0.445 84 T N -4.244 110.304 114.554 -0.011 0.000 2.955 84 T HA 0.305 4.655 4.350 0.000 0.000 0.251 84 T C 1.374 176.067 174.700 -0.011 0.000 1.002 84 T CA 0.813 62.907 62.100 -0.011 0.000 0.970 84 T CB 0.603 69.463 68.868 -0.014 0.000 1.091 84 T HN 0.172 nan 8.240 nan 0.000 0.495 85 G N 1.295 110.088 108.800 -0.012 0.000 2.162 85 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 85 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 85 G C -0.098 174.798 174.900 -0.007 0.000 0.976 85 G CA 0.341 45.436 45.100 -0.009 0.000 0.655 85 G HN 0.724 nan 8.290 nan 0.000 0.533 86 Q N -0.488 119.304 119.800 -0.013 0.000 2.212 86 Q HA 0.532 4.872 4.340 0.000 0.000 0.238 86 Q C 0.579 176.572 176.000 -0.013 0.000 0.955 86 Q CA -1.030 54.765 55.803 -0.014 0.000 0.906 86 Q CB 0.873 29.597 28.738 -0.024 0.000 1.215 86 Q HN 0.196 nan 8.270 nan 0.000 0.478 87 I N 2.233 122.804 120.570 0.002 0.000 2.618 87 I HA -0.073 4.097 4.170 0.000 0.000 0.284 87 I C 0.402 176.519 176.117 0.000 0.000 1.146 87 I CA 0.294 61.607 61.300 0.022 0.000 1.425 87 I CB 0.178 38.238 38.000 0.100 0.000 1.383 87 I HN 0.553 nan 8.210 nan 0.000 0.562 88 Q N 6.583 126.365 119.800 -0.030 0.000 2.296 88 Q HA 0.300 4.640 4.340 0.000 0.000 0.263 88 Q C -0.792 175.225 176.000 0.028 0.000 1.026 88 Q CA 0.515 56.280 55.803 -0.063 0.000 0.912 88 Q CB 0.162 28.751 28.738 -0.248 0.000 1.198 88 Q HN 0.490 nan 8.270 nan 0.000 0.407 89 I N 5.267 125.803 120.570 -0.057 0.000 2.412 89 I HA 0.320 4.490 4.170 0.000 0.000 0.279 89 I C -0.897 175.154 176.117 -0.110 0.000 1.063 89 I CA -0.621 60.505 61.300 -0.290 0.000 1.193 89 I CB 0.380 38.073 38.000 -0.512 0.000 1.370 89 I HN 0.648 nan 8.210 nan 0.000 0.479 90 D N 2.480 122.986 120.400 0.176 0.000 2.583 90 D HA 0.242 4.882 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 -0.789 53.320 54.000 0.182 0.000 0.848 90 D CB 0.555 41.445 40.800 0.150 0.000 1.431 90 D HN -0.063 nan 8.370 nan 0.000 0.436 91 N N 0.161 118.907 118.700 0.078 0.000 2.091 91 N HA -0.171 4.569 4.740 0.000 0.000 0.193 91 N C 0.960 176.484 175.510 0.023 0.000 1.021 91 N CA 1.466 54.469 53.050 -0.078 0.000 0.862 91 N CB -0.220 37.858 38.487 -0.681 0.000 1.018 91 N HN 0.541 nan 8.380 nan 0.000 0.429 92 E N -0.637 119.556 120.200 -0.012 0.000 2.268 92 E HA -0.095 4.255 4.350 0.000 0.000 0.195 92 E C 0.845 177.306 176.600 -0.231 0.000 0.995 92 E CA 1.054 57.389 56.400 -0.108 0.000 0.836 92 E CB -0.274 29.316 29.700 -0.183 0.000 0.763 92 E HN 0.628 nan 8.360 nan 0.000 0.491 93 H N -1.047 118.135 119.070 0.187 0.000 2.594 93 H HA 0.259 4.815 4.556 0.000 0.000 0.279 93 H C 0.092 175.518 175.328 0.163 0.000 1.042 93 H CA -0.356 55.818 56.048 0.209 0.000 1.177 93 H CB 0.370 30.284 29.762 0.253 0.000 1.524 93 H HN -0.138 nan 8.280 nan 0.000 0.537 94 R N 1.833 122.435 120.500 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 55.887 56.100 -0.222 0.000 0.946 94 R CB 0.055 30.382 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 -0.495 176.272 176.870 -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 -0.030 0.000 1.287 95 L HN 0.500 nan 8.230 nan 0.000 0.435 96 L N 1.713 122.870 121.223 -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 -0.686 54.061 54.840 -0.156 0.000 0.818 96 L CB 2.456 44.400 42.059 -0.193 0.000 1.354 96 L HN 0.546 nan 8.230 nan 0.000 0.415 97 R N 1.123 121.529 120.500 -0.157 0.000 2.515 97 R HA 0.354 4.694 4.340 0.000 0.000 0.291 97 R C -2.081 174.220 176.300 0.000 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 0.111 176.799 176.519 0.281 0.000 1.220 98 W CA 0.146 57.642 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 1.723 122.499 120.400 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 0.619 0.000 1.236 99 D CA -0.532 53.807 54.000 0.565 0.000 0.838 99 D CB 1.843 42.985 40.800 0.569 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 0.528 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 0.154 56.545 56.100 0.485 0.000 1.016 100 R CB 0.240 30.778 30.300 0.396 0.000 0.918 100 R HN 0.192 nan 8.270 nan 0.000 0.473 101 R N 1.990 122.695 120.500 0.342 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 -0.195 0.000 1.077 101 R CA -1.472 54.687 56.100 0.097 0.000 1.034 101 R CB 0.352 30.700 30.300 0.081 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 -1.839 60.710 63.100 -0.919 0.000 0.807 102 P CB 0.704 32.123 31.700 -0.467 0.000 1.094 103 P HA -0.180 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 1.584 63.847 63.100 -1.393 0.000 0.843 103 P CB -0.327 30.201 31.700 -1.953 0.000 0.787 104 N N -0.724 117.777 118.700 -0.333 0.000 2.364 104 N HA -0.141 4.599 4.740 0.000 0.000 0.183 104 N C 1.449 176.953 175.510 -0.009 0.000 1.022 104 N CA 1.126 54.248 53.050 0.119 0.000 0.883 104 N CB -0.702 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 1.910 178.018 176.300 -0.320 0.000 1.028 105 D CA 0.208 54.094 54.000 -0.190 0.000 0.937 105 D CB 0.019 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 0.922 61.781 61.300 -0.734 0.000 1.347 106 I CB -1.332 35.953 38.000 -1.192 0.000 1.044 106 I HN 0.065 nan 8.210 nan 0.000 0.408 107 F N 0.237 119.674 119.950 -0.854 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 0.437 57.812 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 -0.157 120.888 121.223 -0.297 0.000 2.286 108 L HA 0.126 4.466 4.340 0.000 0.000 0.203 108 L C 1.705 178.542 176.870 -0.056 0.000 1.068 108 L CA 1.578 56.428 54.840 0.017 0.000 0.811 108 L CB -0.440 41.724 42.059 0.175 0.000 0.989 108 L HN -0.139 nan 8.230 nan 0.000 0.467 109 N N -0.205 118.410 118.700 -0.140 0.000 2.294 109 N HA 0.243 4.983 4.740 0.000 0.000 0.186 109 N C 0.941 176.336 175.510 -0.193 0.000 1.107 109 N CA 0.849 53.820 53.050 -0.131 0.000 0.884 109 N CB 0.699 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 1.304 109.903 108.800 -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 -1.044 173.518 174.900 -0.564 0.000 1.312 110 G CA -0.594 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 0.739 120.605 119.950 -0.141 0.000 2.313 111 F HA 0.604 5.131 4.527 0.000 0.000 0.369 111 F C 1.022 176.772 175.800 -0.084 0.000 1.109 111 F CA -0.628 57.296 58.000 -0.127 0.000 1.132 111 F CB 0.905 39.822 39.000 -0.138 0.000 1.291 111 F HN 0.368 nan 8.300 nan 0.000 0.496 112 I N 5.498 126.118 120.570 0.083 0.000 2.396 112 I HA 0.311 4.481 4.170 0.000 0.000 0.292 112 I C -2.044 174.105 176.117 0.054 0.000 0.999 112 I CA -2.027 59.296 61.300 0.039 0.000 1.310 112 I CB 1.204 39.214 38.000 0.017 0.000 1.404 112 I HN 0.288 nan 8.210 nan 0.000 0.496 113 P HA 0.223 nan 4.420 nan 0.000 0.272 113 P C 0.158 177.465 177.300 0.012 0.000 1.240 113 P CA -0.400 62.699 63.100 -0.002 0.000 0.791 113 P CB 0.600 32.254 31.700 -0.078 0.000 0.978 114 R N -0.107 120.401 120.500 0.014 0.000 2.120 114 R HA 0.006 4.346 4.340 0.000 0.000 0.234 114 R C 0.133 176.444 176.300 0.019 0.000 1.123 114 R CA 0.864 56.978 56.100 0.023 0.000 0.975 114 R CB -0.371 29.946 30.300 0.029 0.000 0.866 114 R HN 0.274 nan 8.270 nan 0.000 0.446 115 V N 1.011 120.925 119.914 -0.000 0.000 2.370 115 V HA 0.107 4.227 4.120 0.000 0.000 0.283 115 V C 0.818 176.935 176.094 0.039 0.000 1.023 115 V CA -0.158 62.150 62.300 0.014 0.000 0.857 115 V CB 1.602 33.422 31.823 -0.005 0.000 0.985 115 V HN 0.338 nan 8.190 nan 0.000 0.443 116 T N -0.326 114.278 114.554 0.084 0.000 3.003 116 T HA 0.119 4.469 4.350 0.000 0.000 0.261 116 T C 0.515 175.370 174.700 0.259 0.000 1.003 116 T CA -0.327 61.869 62.100 0.161 0.000 0.917 116 T CB -0.074 68.866 68.868 0.119 0.000 1.084 116 T HN 0.629 nan 8.240 nan 0.000 0.522 117 N N 1.511 120.297 118.700 0.143 0.000 2.509 117 N HA 0.160 4.900 4.740 0.000 0.000 0.287 117 N C -0.600 174.886 175.510 -0.040 0.000 1.121 117 N CA -0.593 52.472 53.050 0.025 0.000 0.977 117 N CB 1.492 39.966 38.487 -0.023 0.000 1.167 117 N HN 0.335 nan 8.380 nan 0.000 0.476 118 Q N 0.695 120.256 119.800 -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 -0.177 0.000 0.989 118 Q CA 0.080 55.575 55.803 -0.512 0.000 0.890 118 Q CB 0.346 28.535 28.738 -0.916 0.000 1.200 118 Q HN 0.646 nan 8.270 nan 0.000 0.396 119 N N 4.850 123.522 118.700 -0.047 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 0.026 0.000 1.261 119 N CA -0.176 52.867 53.050 -0.013 0.000 0.809 119 N CB 0.699 39.188 38.487 0.003 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 0.016 0.000 2.682 120 L HA 0.207 4.547 4.340 0.000 0.000 0.240 120 L C 0.446 177.334 176.870 0.030 0.000 1.178 120 L CA 0.203 55.065 54.840 0.037 0.000 0.970 120 L CB -0.351 41.728 42.059 0.033 0.000 1.179 120 L HN 0.255 nan 8.230 nan 0.000 0.435 121 S N 0.605 116.321 115.700 0.026 0.000 2.654 121 S HA 0.313 4.783 4.470 0.000 0.000 0.283 121 S C -1.719 172.901 174.600 0.033 0.000 1.180 121 S CA -0.928 57.287 58.200 0.025 0.000 1.021 121 S CB 1.219 64.431 63.200 0.020 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 0.488 177.820 177.300 0.054 0.000 1.461 122 P CA -0.037 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 -2.192 117.758 119.914 0.060 0.000 3.923 123 V HA 0.023 4.143 4.120 0.000 0.000 0.292 123 V C 1.746 177.912 176.094 0.121 0.000 1.070 123 V CA 0.231 62.577 62.300 0.076 0.000 1.103 123 V CB -0.080 31.776 31.823 0.055 0.000 1.175 123 V HN -0.105 nan 8.190 nan 0.000 0.471 124 E N 0.145 120.421 120.200 0.127 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 0.167 0.000 1.007 124 E CA 1.177 57.681 56.400 0.172 0.000 0.849 124 E CB -0.454 29.313 29.700 0.112 0.000 0.774 124 E HN 0.840 nan 8.360 nan 0.000 0.506 125 D N 0.161 120.617 120.400 0.093 0.000 2.149 125 D HA -0.155 4.485 4.640 0.000 0.000 0.194 125 D C 1.788 178.069 176.300 -0.032 0.000 1.001 125 D CA 2.178 56.191 54.000 0.022 0.000 0.849 125 D CB -0.359 40.444 40.800 0.004 0.000 0.939 125 D HN 0.334 nan 8.370 nan 0.000 0.449 126 T N -3.701 110.896 114.554 0.073 0.000 3.092 126 T HA 0.047 4.397 4.350 0.000 0.000 0.258 126 T C 0.534 175.491 174.700 0.428 0.000 1.031 126 T CA -0.455 61.728 62.100 0.138 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 1.643 120.886 119.070 0.289 0.000 3.330 127 H HA 0.288 4.844 4.556 0.000 0.000 0.260 127 H C 1.373 176.878 175.328 0.294 0.000 1.439 127 H CA -0.822 55.371 56.048 0.243 0.000 1.540 127 H CB 0.080 29.934 29.762 0.153 0.000 1.698 127 H HN 0.077 nan 8.280 nan 0.000 0.516 128 L N 4.086 125.552 121.223 0.404 0.000 2.013 128 L HA -0.231 4.109 4.340 0.000 0.000 0.212 128 L C 1.638 178.588 176.870 0.133 0.000 1.073 128 L CA 1.696 56.555 54.840 0.033 0.000 0.753 128 L CB -0.423 41.539 42.059 -0.162 0.000 0.890 128 L HN 0.682 nan 8.230 nan 0.000 0.432 129 L N -0.763 120.592 121.223 0.220 0.000 2.093 129 L HA -0.191 4.149 4.340 0.000 0.000 0.208 129 L C 2.245 179.099 176.870 -0.028 0.000 1.085 129 L CA 0.990 55.839 54.840 0.016 0.000 0.755 129 L CB -0.601 41.466 42.059 0.014 0.000 0.904 129 L HN 0.362 nan 8.230 nan 0.000 0.435 130 N N -0.767 117.877 118.700 -0.093 0.000 2.188 130 N HA -0.233 4.507 4.740 0.000 0.000 0.184 130 N C 1.656 177.150 175.510 -0.028 0.000 1.018 130 N CA 1.108 54.017 53.050 -0.236 0.000 0.858 130 N CB -0.295 37.832 38.487 -0.600 0.000 0.989 130 N HN 0.339 nan 8.380 nan 0.000 0.426 131 Y N 1.362 121.656 120.300 -0.009 0.000 2.114 131 Y HA -0.040 4.510 4.550 0.000 0.000 0.284 131 Y C 1.992 177.922 175.900 0.051 0.000 1.143 131 Y CA 1.371 59.496 58.100 0.042 0.000 1.135 131 Y CB -0.595 37.953 38.460 0.147 0.000 0.980 131 Y HN -0.027 nan 8.280 nan 0.000 0.499 132 L N 0.054 121.165 121.223 -0.186 0.000 2.131 132 L HA -0.179 4.161 4.340 0.000 0.000 0.210 132 L C 2.756 179.723 176.870 0.161 0.000 1.092 132 L CA 1.799 56.546 54.840 -0.155 0.000 0.759 132 L CB -0.453 41.550 42.059 -0.094 0.000 0.903 132 L HN 0.181 nan 8.230 nan 0.000 0.435 133 R N -0.545 120.028 120.500 0.122 0.000 2.140 133 R HA -0.072 4.268 4.340 0.000 0.000 0.213 133 R C 2.089 178.686 176.300 0.495 0.000 1.059 133 R CA 1.529 57.813 56.100 0.306 0.000 1.000 133 R CB 0.196 30.496 30.300 0.000 0.000 0.910 133 R HN 0.404 nan 8.270 nan 0.000 0.455 134 T N -3.717 110.915 114.554 0.130 0.000 2.959 134 T HA 0.111 4.461 4.350 0.000 0.000 0.254 134 T C 0.420 174.742 174.700 -0.629 0.000 1.003 134 T CA 0.274 62.319 62.100 -0.092 0.000 0.950 134 T CB 0.254 69.079 68.868 -0.072 0.000 1.090 134 T HN 0.269 nan 8.240 nan 0.000 0.503 135 N N 1.540 119.843 118.700 -0.662 0.000 2.818 135 N HA -0.161 4.579 4.740 0.000 0.000 0.250 135 N C -0.144 175.214 175.510 -0.253 0.000 1.108 135 N CA 0.765 53.394 53.050 -0.702 0.000 0.745 135 N CB -1.829 35.881 38.487 -1.295 0.000 1.104 135 N HN 0.874 nan 8.380 nan 0.000 0.557 136 S N -0.883 114.760 115.700 -0.095 0.000 2.573 136 S HA 0.467 4.937 4.470 0.000 0.000 0.277 136 S C -2.319 172.355 174.600 0.123 0.000 1.346 136 S CA -0.979 57.226 58.200 0.008 0.000 1.034 136 S CB 0.882 64.095 63.200 0.021 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 -0.240 177.111 177.300 0.085 0.000 1.204 137 P CA 0.011 63.160 63.100 0.081 0.000 0.768 137 P CB 0.719 32.445 31.700 0.043 0.000 0.842 138 S N 1.660 117.382 115.700 0.038 0.000 2.727 138 S HA 0.405 4.875 4.470 0.000 0.000 0.278 138 S C 0.663 175.129 174.600 -0.223 0.000 1.186 138 S CA -0.759 57.398 58.200 -0.073 0.000 0.836 138 S CB 0.261 63.465 63.200 0.007 0.000 1.186 138 S HN 0.340 nan 8.310 nan 0.000 0.499 139 I N -1.343 118.939 120.570 -0.481 0.000 3.684 139 I HA 0.441 4.611 4.170 0.000 0.000 0.304 139 I C -0.744 175.026 176.117 -0.580 0.000 1.278 139 I CA -0.228 60.774 61.300 -0.496 0.000 1.272 139 I CB -0.497 37.182 38.000 -0.535 0.000 1.029 139 I HN 0.278 nan 8.210 nan 0.000 0.458 140 F N 1.292 121.057 119.950 -0.308 0.000 2.379 140 F HA 0.596 5.123 4.527 0.000 0.000 0.332 140 F C 0.221 175.860 175.800 -0.269 0.000 1.096 140 F CA -0.910 56.867 58.000 -0.372 0.000 1.105 140 F CB 1.188 39.748 39.000 -0.734 0.000 1.189 140 F HN -0.331 nan 8.300 nan 0.000 0.515 141 V N 1.967 121.954 119.914 0.122 0.000 2.588 141 V HA 0.418 4.538 4.120 0.000 0.000 0.304 141 V C -0.377 175.841 176.094 0.207 0.000 1.042 141 V CA -0.742 61.632 62.300 0.123 0.000 0.877 141 V CB 1.883 33.749 31.823 0.072 0.000 0.996 141 V HN 0.838 nan 8.190 nan 0.000 0.425 142 S N 2.794 118.607 115.700 0.188 0.000 2.654 142 S HA 0.838 5.308 4.470 0.000 0.000 0.283 142 S C 0.127 174.755 174.600 0.046 0.000 1.180 142 S CA -0.510 57.788 58.200 0.165 0.000 1.021 142 S CB 1.795 65.075 63.200 0.134 0.000 1.018 142 S HN 1.015 nan 8.310 nan 0.000 0.532 143 T N -1.511 113.088 114.554 0.074 0.000 2.841 143 T HA 0.725 5.075 4.350 0.000 0.000 0.296 143 T C -0.696 174.007 174.700 0.005 0.000 1.166 143 T CA -0.740 61.374 62.100 0.023 0.000 1.007 143 T CB 1.762 70.692 68.868 0.104 0.000 1.253 143 T HN 0.485 nan 8.240 nan 0.000 0.511 144 T N -0.007 114.548 114.554 0.002 0.000 2.906 144 T HA 0.563 4.913 4.350 0.000 0.000 0.295 144 T C -0.716 174.005 174.700 0.036 0.000 1.061 144 T CA -0.846 61.254 62.100 0.001 0.000 1.000 144 T CB 1.177 70.058 68.868 0.021 0.000 1.103 144 T HN 0.727 nan 8.240 nan 0.000 0.486 145 R N 1.885 122.411 120.500 0.044 0.000 2.490 145 R HA 0.584 4.924 4.340 0.000 0.000 0.280 145 R C 0.412 176.743 176.300 0.052 0.000 1.077 145 R CA -0.539 55.591 56.100 0.051 0.000 1.065 145 R CB 0.538 30.873 30.300 0.057 0.000 1.003 145 R HN 0.713 nan 8.270 nan 0.000 0.470 146 A N 3.377 126.223 122.820 0.045 0.000 2.445 146 A HA 0.160 4.480 4.320 0.000 0.000 0.242 146 A C -0.003 177.552 177.584 -0.049 0.000 1.075 146 A CA -0.034 51.995 52.037 -0.014 0.000 0.777 146 A CB 0.350 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 0.350 120.701 120.500 -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 -0.240 55.744 56.100 -0.193 0.000 0.882 147 R CB 1.494 31.757 30.300 -0.061 0.000 1.143 147 R HN 0.750 nan 8.270 nan 0.000 0.452 148 Y N 0.752 121.084 120.300 0.052 0.000 2.545 148 Y HA 0.234 4.784 4.550 0.000 0.000 0.348 148 Y C 0.454 176.380 175.900 0.043 0.000 1.002 148 Y CA -1.093 57.037 58.100 0.050 0.000 1.039 148 Y CB 1.415 39.904 38.460 0.048 0.000 1.271 148 Y HN 0.680 nan 8.280 nan 0.000 0.467 149 N N 0.508 119.317 118.700 0.182 0.000 2.452 149 N HA 0.007 4.747 4.740 0.000 0.000 0.296 149 N C 0.412 175.993 175.510 0.118 0.000 1.304 149 N CA -0.183 52.937 53.050 0.116 0.000 0.956 149 N CB -0.072 38.463 38.487 0.081 0.000 1.106 149 N HN 0.686 nan 8.380 nan 0.000 0.555 150 N N -0.868 117.880 118.700 0.079 0.000 2.398 150 N HA -0.016 4.724 4.740 0.000 0.000 0.188 150 N C 0.597 176.140 175.510 0.055 0.000 1.122 150 N CA 0.332 53.419 53.050 0.062 0.000 0.866 150 N CB -0.196 38.319 38.487 0.046 0.000 0.970 150 N HN 0.567 nan 8.380 nan 0.000 0.462 151 L N -0.713 120.550 121.223 0.066 0.000 2.640 151 L HA 0.351 4.691 4.340 0.000 0.000 0.230 151 L C 1.058 177.970 176.870 0.070 0.000 1.123 151 L CA 0.229 55.104 54.840 0.059 0.000 0.900 151 L CB -0.023 42.071 42.059 0.058 0.000 1.146 151 L HN 0.252 nan 8.230 nan 0.000 0.484 152 G N 1.042 109.900 108.800 0.096 0.000 2.143 152 G HA2 -0.267 3.693 3.960 0.000 0.000 0.248 152 G HA3 -0.267 3.693 3.960 0.000 0.000 0.248 152 G C 0.111 175.143 174.900 0.219 0.000 0.991 152 G CA -0.060 45.098 45.100 0.097 0.000 0.689 152 G HN 0.230 nan 8.290 nan 0.000 0.522 153 L N 0.186 121.553 121.223 0.241 0.000 2.334 153 L HA 0.460 4.800 4.340 0.000 0.000 0.277 153 L C 0.935 177.970 176.870 0.275 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 3.395 123.707 120.200 0.187 0.000 2.376 154 E HA 0.256 4.606 4.350 0.000 0.000 0.266 154 E C -0.754 175.793 176.600 -0.088 0.000 1.009 154 E CA -0.211 56.091 56.400 -0.163 0.000 0.902 154 E CB 0.792 30.396 29.700 -0.159 0.000 0.972 154 E HN 0.444 nan 8.360 nan 0.000 0.439 155 I N -0.078 120.403 120.570 -0.148 0.000 3.067 155 I HA 0.432 4.602 4.170 0.000 0.000 0.312 155 I C -0.136 175.956 176.117 -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 4.190 118.746 114.554 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 61.934 62.100 0.034 0.000 1.162 156 T CB -0.437 68.440 68.868 0.016 0.000 0.968 156 T HN 0.509 nan 8.240 nan 0.000 0.530 157 P HA 0.183 nan 4.420 nan 0.000 0.284 157 P C -0.486 176.953 177.300 0.231 0.000 1.292 157 P CA -1.109 62.099 63.100 0.179 0.000 0.800 157 P CB 0.700 32.544 31.700 0.240 0.000 1.188 158 W N 1.039 122.393 121.300 0.091 0.000 2.347 158 W HA 0.171 4.831 4.660 0.000 0.000 0.333 158 W C -0.854 175.704 176.519 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 8.536 122.660 114.554 -0.717 0.000 2.876 159 T HA 0.348 4.698 4.350 0.000 0.000 0.289 159 T C -2.538 171.243 174.700 -1.530 0.000 1.014 159 T CA -1.397 60.096 62.100 -1.011 0.000 0.986 159 T CB 1.738 70.205 68.868 -0.670 0.000 1.021 159 T HN 0.130 nan 8.240 nan 0.000 0.458 160 P HA 0.229 nan 4.420 nan 0.000 0.271 160 P C 0.381 177.249 177.300 -0.721 0.000 1.218 160 P CA -0.121 62.363 63.100 -1.027 0.000 0.780 160 P CB 0.467 31.805 31.700 -0.603 0.000 0.901 161 H N 0.176 118.957 119.070 -0.482 0.000 2.421 161 H HA -0.109 4.448 4.556 0.000 0.000 0.298 161 H C 1.640 176.822 175.328 -0.245 0.000 1.087 161 H CA 1.636 57.484 56.048 -0.334 0.000 1.330 161 H CB 0.057 29.678 29.762 -0.234 0.000 1.388 161 H HN 0.426 nan 8.280 nan 0.000 0.526 162 S N 0.096 115.748 115.700 -0.080 0.000 2.631 162 S HA 0.221 4.691 4.470 0.000 0.000 0.217 162 S C 2.074 176.603 174.600 -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 0.047 0.000 0.776 162 S HN 0.431 nan 8.310 nan 0.000 0.517 163 A N 2.813 125.472 122.820 -0.267 0.000 1.986 163 A HA -0.154 4.166 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 1.726 53.555 52.037 -0.347 0.000 0.640 163 A CB -0.979 17.590 19.000 -0.717 0.000 0.811 163 A HN 0.747 nan 8.150 nan 0.000 0.451 164 N N -0.511 118.092 118.700 -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 52.862 53.050 -0.094 0.000 0.878 164 N CB 0.004 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 0.236 4.977 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 -0.010 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 0.299 119.001 118.700 0.004 0.000 1.220 166 N HA -0.261 4.479 4.740 0.000 0.000 0.114 166 N C -1.017 174.489 175.510 -0.006 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 0.968 121.521 120.570 -0.028 0.000 2.339 167 I HA 0.571 4.741 4.170 0.000 0.000 0.290 167 I C -0.429 175.706 176.117 0.030 0.000 0.994 167 I CA -0.353 60.927 61.300 -0.033 0.000 1.191 167 I CB 1.013 38.943 38.000 -0.118 0.000 1.343 167 I HN 0.322 nan 8.210 nan 0.000 0.458 168 I N 5.702 126.288 120.570 0.026 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 60.839 61.300 0.159 0.000 1.014 168 I CB 2.530 40.696 38.000 0.276 0.000 1.242 168 I HN 0.359 nan 8.210 nan 0.000 0.430 169 Y N 4.672 125.193 120.300 0.369 0.000 2.468 169 Y HA 0.564 5.114 4.550 0.000 0.000 0.342 169 Y C -0.153 175.804 175.900 0.095 0.000 1.021 169 Y CA -0.676 57.512 58.100 0.145 0.000 1.079 169 Y CB 1.614 39.977 38.460 -0.161 0.000 1.226 169 Y HN 0.334 nan 8.280 nan 0.000 0.460 170 R N 3.063 123.540 120.500 -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 -0.583 55.255 56.100 -0.437 0.000 0.900 170 R CB 0.338 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 1.485 121.717 120.300 -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 0.033 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 4.145 124.343 120.200 -0.004 0.000 2.133 172 E HA 0.515 4.865 4.350 0.000 0.000 0.274 172 E C -1.495 175.041 176.600 -0.107 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 0.615 nan 8.360 nan 0.000 0.403 173 I N 3.927 124.362 120.570 -0.225 0.000 2.689 173 I HA 0.405 4.575 4.170 0.000 0.000 0.299 173 I C -1.111 174.785 176.117 -0.368 0.000 1.059 173 I CA -0.867 60.360 61.300 -0.122 0.000 1.055 173 I CB 1.600 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 4.214 124.318 119.950 0.257 0.000 2.716 174 F HA 0.722 5.249 4.527 0.000 0.000 0.354 174 F C 0.056 176.008 175.800 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 4.007 126.937 122.820 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 -0.109 0.000 1.098 175 A CA -1.908 50.000 52.037 -0.216 0.000 0.737 175 A CB 2.079 20.865 19.000 -0.358 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 0.676 177.993 177.300 0.028 0.000 1.249 176 P CA 1.372 64.401 63.100 -0.118 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 -0.039 174.799 174.900 -0.104 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 -0.344 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 -0.434 174.299 174.900 -0.280 0.000 1.181 178 G CA -0.016 44.574 45.100 -0.851 0.000 0.762 178 G HN 1.591 nan 8.290 nan 0.000 0.641 179 I N 1.463 121.909 120.570 -0.207 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 -0.050 0.000 1.010 179 I CA -0.506 60.768 61.300 -0.043 0.000 1.308 179 I CB 1.500 39.512 38.000 0.020 0.000 1.400 179 I HN 0.494 nan 8.210 nan 0.000 0.488 180 D N 7.617 128.026 120.400 0.014 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 53.810 54.000 0.049 0.000 0.918 180 D CB 0.786 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 0.154 0.000 1.075 181 I CA 0.908 62.288 61.300 0.134 0.000 1.334 181 I CB -0.956 37.132 38.000 0.147 0.000 1.040 181 I HN 0.389 nan 8.210 nan 0.000 0.405 182 N N 1.126 119.875 118.700 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 1.409 54.496 53.050 0.062 0.000 0.872 182 N CB -0.222 38.281 38.487 0.027 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 1.928 179.418 177.584 -0.156 0.000 1.168 183 A CA 0.410 52.347 52.037 -0.166 0.000 0.804 183 A CB 0.071 18.845 19.000 -0.377 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 -0.184 0.000 2.503 184 S HA 0.369 4.840 4.470 0.000 0.000 0.215 184 S C -0.266 173.899 174.600 -0.725 0.000 1.003 184 S CA 0.068 57.990 58.200 -0.463 0.000 0.910 184 S CB -0.049 62.739 63.200 -0.687 0.000 0.790 184 S HN 0.417 nan 8.310 nan 0.000 0.514 185 F N 1.248 121.185 119.950 -0.022 0.000 2.563 185 F HA 0.434 4.961 4.527 0.000 0.000 0.316 185 F C 0.241 176.047 175.800 0.010 0.000 1.076 185 F CA -1.240 56.753 58.000 -0.011 0.000 0.921 185 F CB 1.234 40.228 39.000 -0.010 0.000 1.209 185 F HN -0.304 nan 8.300 nan 0.000 0.462 186 S N 3.049 118.899 115.700 0.251 0.000 2.466 186 S HA 0.092 4.562 4.470 0.000 0.000 0.286 186 S C 1.393 176.111 174.600 0.196 0.000 1.221 186 S CA -0.479 57.844 58.200 0.205 0.000 1.091 186 S CB 0.238 63.607 63.200 0.281 0.000 0.956 186 S HN 0.617 nan 8.310 nan 0.000 0.501 187 R N 2.843 123.408 120.500 0.108 0.000 2.323 187 R HA -0.270 4.070 4.340 0.000 0.000 0.259 187 R C 0.764 177.060 176.300 -0.007 0.000 1.104 187 R CA 1.899 58.028 56.100 0.047 0.000 0.961 187 R CB -0.438 29.878 30.300 0.026 0.000 0.929 187 R HN 0.529 nan 8.270 nan 0.000 0.457 188 N N -0.382 118.308 118.700 -0.016 0.000 2.370 188 N HA -0.012 4.728 4.740 0.000 0.000 0.198 188 N C 0.100 175.304 175.510 -0.510 0.000 1.156 188 N CA 0.700 53.630 53.050 -0.200 0.000 0.839 188 N CB 0.307 38.681 38.487 -0.189 0.000 0.989 188 N HN 0.444 nan 8.380 nan 0.000 0.468 189 H N -2.360 116.714 119.070 0.006 0.000 3.398 189 H HA 0.221 4.777 4.556 0.000 0.000 0.260 189 H C -0.345 174.878 175.328 -0.174 0.000 1.189 189 H CA -0.398 55.637 56.048 -0.022 0.000 1.145 189 H CB 0.449 30.259 29.762 0.079 0.000 1.599 189 H HN -0.031 nan 8.280 nan 0.000 0.615 190 N N 1.869 120.510 118.700 -0.098 0.000 2.439 190 N HA 0.108 4.848 4.740 0.000 0.000 0.249 190 N C -1.934 173.384 175.510 -0.320 0.000 1.003 190 N CA -2.269 50.642 53.050 -0.232 0.000 0.942 190 N CB 1.640 40.131 38.487 0.005 0.000 1.115 190 N HN -0.092 nan 8.380 nan 0.000 0.505 191 P HA -0.038 nan 4.420 nan 0.000 0.213 191 P C -0.605 176.126 177.300 -0.950 0.000 1.170 191 P CA 1.486 64.143 63.100 -0.739 0.000 0.902 191 P CB 0.090 31.356 31.700 -0.724 0.000 0.789 192 F N -2.234 117.624 119.950 -0.154 0.000 2.824 192 F HA 0.322 4.849 4.527 0.000 0.000 0.375 192 F C -1.844 173.884 175.800 -0.120 0.000 1.190 192 F CA -2.057 55.856 58.000 -0.146 0.000 1.180 192 F CB 1.073 39.946 39.000 -0.211 0.000 1.477 192 F HN -0.063 nan 8.300 nan 0.000 0.542 193 P HA -0.043 nan 4.420 nan 0.000 0.229 193 P C 0.896 178.219 177.300 0.038 0.000 1.160 193 P CA 0.942 64.060 63.100 0.030 0.000 0.777 193 P CB 0.416 32.127 31.700 0.019 0.000 0.814 194 N N 0.404 119.146 118.700 0.070 0.000 2.309 194 N HA -0.146 4.594 4.740 0.000 0.000 0.182 194 N C 1.708 177.281 175.510 0.105 0.000 1.018 194 N CA 0.866 53.978 53.050 0.104 0.000 0.876 194 N CB -0.585 37.990 38.487 0.146 0.000 0.972 194 N HN 0.377 nan 8.380 nan 0.000 0.434 195 E N 0.618 120.760 120.200 -0.097 0.000 2.208 195 E HA -0.111 4.239 4.350 0.000 0.000 0.193 195 E C -0.619 175.837 176.600 -0.240 0.000 0.988 195 E CA 0.293 56.402 56.400 -0.486 0.000 0.828 195 E CB 0.155 29.402 29.700 -0.755 0.000 0.763 195 E HN 0.131 nan 8.360 nan 0.000 0.478 196 D N 1.602 121.948 120.400 -0.090 0.000 2.737 196 D HA -0.190 4.450 4.640 0.000 0.000 0.238 196 D C -0.674 175.595 176.300 -0.050 0.000 1.157 196 D CA 0.778 54.759 54.000 -0.032 0.000 0.694 196 D CB -1.131 39.676 40.800 0.012 0.000 1.021 196 D HN 0.424 nan 8.370 nan 0.000 0.420 197 Q N -0.319 119.439 119.800 -0.069 0.000 2.299 197 Q HA 0.418 4.758 4.340 0.000 0.000 0.246 197 Q C 0.261 176.263 176.000 0.003 0.000 0.935 197 Q CA -0.362 55.409 55.803 -0.053 0.000 0.887 197 Q CB 1.202 29.902 28.738 -0.064 0.000 1.223 197 Q HN 0.205 nan 8.270 nan 0.000 0.439 198 I N 2.612 123.200 120.570 0.029 0.000 2.410 198 I HA 0.224 4.394 4.170 0.000 0.000 0.286 198 I C -0.266 175.855 176.117 0.007 0.000 1.009 198 I CA -0.322 60.976 61.300 -0.004 0.000 1.111 198 I CB 1.375 39.405 38.000 0.050 0.000 1.262 198 I HN 0.482 nan 8.210 nan 0.000 0.443 199 T N 6.745 121.257 114.554 -0.069 0.000 2.837 199 T HA 0.542 4.892 4.350 0.000 0.000 0.285 199 T C -0.352 174.266 174.700 -0.136 0.000 0.984 199 T CA -0.095 62.021 62.100 0.027 0.000 1.049 199 T CB 0.596 69.480 68.868 0.026 0.000 0.947 199 T HN 0.127 nan 8.240 nan 0.000 0.472 200 F N 4.162 124.172 119.950 0.100 0.000 2.325 200 F HA 0.351 4.878 4.527 0.000 0.000 0.369 200 F C -2.197 173.638 175.800 0.059 0.000 1.095 200 F CA -2.646 55.389 58.000 0.058 0.000 1.082 200 F CB 1.333 40.336 39.000 0.005 0.000 1.289 200 F HN 0.286 nan 8.300 nan 0.000 0.462 201 P HA 0.213 nan 4.420 nan 0.000 0.271 201 P C 0.767 177.956 177.300 -0.184 0.000 1.233 201 P CA 0.546 63.636 63.100 -0.017 0.000 0.764 201 P CB 1.004 32.675 31.700 -0.049 0.000 0.825 202 G N 2.374 111.022 108.800 -0.253 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 -0.145 0.000 0.982 202 G CA 0.209 45.137 45.100 -0.287 0.000 0.641 202 G HN 0.986 nan 8.290 nan 0.000 0.527 203 G N -0.884 107.900 108.800 -0.026 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 -0.350 174.565 174.900 0.026 0.000 1.353 203 G CA -0.064 45.056 45.100 0.033 0.000 0.872 203 G HN 1.409 nan 8.290 nan 0.000 0.557 204 I N 0.484 121.074 120.570 0.035 0.000 2.499 204 I HA 0.407 4.577 4.170 0.000 0.000 0.288 204 I C 0.719 176.892 176.117 0.093 0.000 1.048 204 I CA -0.832 60.488 61.300 0.033 0.000 1.062 204 I CB 1.981 39.950 38.000 -0.051 0.000 1.238 204 I HN 0.516 nan 8.210 nan 0.000 0.426 205 R N 6.257 126.864 120.500 0.178 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 -1.287 54.830 56.100 0.028 0.000 1.133 205 R CB 0.532 30.833 30.300 0.002 0.000 1.029 205 R HN 0.374 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 1.318 64.294 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 -0.396 119.590 120.200 -0.356 0.000 2.409 207 E HA -0.134 4.216 4.350 0.000 0.000 0.198 207 E C 0.785 177.127 176.600 -0.429 0.000 1.024 207 E CA 0.808 56.940 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 1.045 121.043 119.950 0.080 0.000 2.727 208 F HA 0.354 4.881 4.527 0.000 0.000 0.302 208 F C 0.871 176.879 175.800 0.345 0.000 1.097 208 F CA -0.394 57.739 58.000 0.222 0.000 1.330 208 F CB 0.197 39.247 39.000 0.082 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 -0.012 0.000 1.025 209 I CA -0.373 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 4.032 124.396 120.500 -0.227 0.000 2.080 210 R HA 0.024 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 1.149 56.880 56.100 -0.615 0.000 0.980 210 R CB 0.399 30.077 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 0.183 0.000 1.178 211 S CA -0.757 57.496 58.200 0.088 0.000 0.838 211 S CB 2.007 65.185 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 0.588 4.939 4.350 0.000 0.000 0.327 212 T C -2.334 172.382 174.700 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 -0.742 0.000 1.261 212 T HN 0.520 nan 8.240 nan 0.000 0.485 213 Y N 2.185 122.395 120.300 -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 -0.218 0.000 1.036 213 Y CA -1.596 56.360 58.100 -0.239 0.000 1.125 213 Y CB 1.312 39.499 38.460 -0.456 0.000 1.194 213 Y HN 0.629 nan 8.280 nan 0.000 0.469 214 E N 3.619 123.804 120.200 -0.025 0.000 2.109 214 E HA 0.313 4.663 4.350 0.000 0.000 0.278 214 E C -1.750 174.675 176.600 -0.292 0.000 0.954 214 E CA -0.399 55.909 56.400 -0.154 0.000 0.779 214 E CB 0.519 30.310 29.700 0.152 0.000 1.093 214 E HN 0.532 nan 8.360 nan 0.000 0.401 215 Y N 2.354 122.596 120.300 -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 -0.542 57.566 58.100 0.013 0.000 1.114 215 Y CB 1.604 40.119 38.460 0.093 0.000 1.208 215 Y HN 0.498 nan 8.280 nan 0.000 0.458 216 H N 2.145 121.279 119.070 0.108 0.000 2.727 216 H HA 0.250 4.806 4.556 0.000 0.000 0.330 216 H C -0.506 174.860 175.328 0.064 0.000 0.986 216 H CA -1.122 54.959 56.048 0.054 0.000 1.251 216 H CB 0.896 30.674 29.762 0.026 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 1.008 176.561 175.510 0.072 0.000 1.103 217 N CA 0.368 53.466 53.050 0.080 0.000 0.707 217 N CB -0.736 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 -0.310 3.650 3.960 0.000 0.000 0.256 218 G HA3 -0.310 3.650 3.960 0.000 0.000 0.256 218 G C -0.357 174.656 174.900 0.188 0.000 0.977 218 G CA 0.478 45.605 45.100 0.045 0.000 0.652 218 G HN 0.424 nan 8.290 nan 0.000 0.531 219 E N -0.039 120.310 120.200 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 1.493 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 2.471 123.000 120.570 -0.069 0.000 2.533 220 I HA -0.053 4.117 4.170 0.000 0.000 0.284 220 I C 1.516 177.451 176.117 -0.304 0.000 1.109 220 I CA 0.020 61.077 61.300 -0.405 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 2.780 122.478 119.914 -0.359 0.000 3.604 221 V HA 0.416 4.536 4.120 0.000 0.000 0.277 221 V C 0.450 176.362 176.094 -0.303 0.000 1.399 221 V CA -0.094 62.003 62.300 -0.339 0.000 1.034 221 V CB 0.075 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 -0.293 120.023 120.500 -0.306 0.000 2.664 222 R HA 0.647 4.988 4.340 0.000 0.000 0.260 222 R C -2.273 173.871 176.300 -0.260 0.000 1.062 222 R CA -0.687 55.225 56.100 -0.313 0.000 0.902 222 R CB 2.031 32.118 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 -1.033 174.951 176.117 -0.221 0.000 0.999 223 I CA -0.481 60.756 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 7.006 128.301 121.300 -0.007 0.000 2.478 224 W HA 0.549 5.209 4.660 0.000 0.000 0.318 224 W C -0.484 176.062 176.519 0.045 0.000 1.062 224 W CA -0.550 56.813 57.345 0.030 0.000 1.210 224 W CB 1.212 30.722 29.460 0.083 0.000 1.325 224 W HN 0.089 nan 8.180 nan 0.000 0.496 225 I N 3.625 124.268 120.570 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 1.312 38.951 38.000 -0.602 0.000 1.341 225 I HN 0.391 nan 8.210 nan 0.000 0.455 226 N N 8.543 127.094 118.700 -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 -2.064 50.728 53.050 -0.430 0.000 0.937 226 N CB 1.422 39.290 38.487 -1.032 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 0.069 177.479 177.300 0.184 0.000 1.147 227 P CA 0.914 64.180 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 -1.056 117.726 118.700 0.137 0.000 2.314 228 N HA 0.018 4.758 4.740 0.000 0.000 0.200 228 N C 0.162 175.679 175.510 0.013 0.000 1.135 228 N CA -0.150 52.940 53.050 0.066 0.000 0.835 228 N CB -0.472 38.055 38.487 0.067 0.000 0.989 228 N HN 0.159 nan 8.380 nan 0.000 0.478 229 F N 1.658 121.554 119.950 -0.091 0.000 2.607 229 F HA -0.040 4.487 4.527 0.000 0.000 0.374 229 F C 1.690 177.450 175.800 -0.066 0.000 1.104 229 F CA -0.726 57.216 58.000 -0.096 0.000 1.296 229 F CB 0.606 39.575 39.000 -0.052 0.000 1.085 229 F HN -0.127 nan 8.300 nan 0.000 0.584 230 I N 3.941 123.968 120.570 -0.906 0.000 2.290 230 I HA -0.310 3.860 4.170 0.000 0.000 0.253 230 I C 0.825 176.611 176.117 -0.551 0.000 1.112 230 I CA 1.598 62.489 61.300 -0.683 0.000 1.377 230 I CB -0.947 36.701 38.000 -0.588 0.000 1.060 230 I HN 0.709 nan 8.210 nan 0.000 0.428 231 N N -0.369 117.885 118.700 -0.743 0.000 2.804 231 N HA 0.237 4.977 4.740 0.000 0.000 0.251 231 N C -2.071 173.480 175.510 0.068 0.000 1.250 231 N CA -1.280 51.638 53.050 -0.220 0.000 0.820 231 N CB 1.055 39.467 38.487 -0.126 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 1.120 178.498 177.300 0.130 0.000 1.148 232 P CA 0.921 64.108 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 -1.263 114.489 115.700 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 59.647 58.200 0.067 0.000 0.942 233 S CB -1.743 61.479 63.200 0.036 0.000 0.768 233 S HN 0.317 nan 8.310 nan 0.000 0.520 234 T N -0.365 114.254 114.554 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 -0.124 62.025 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 1.068 122.369 121.223 0.130 0.000 2.129 235 L HA -0.118 4.222 4.340 0.000 0.000 0.212 235 L C 2.271 179.204 176.870 0.106 0.000 1.087 235 L CA 1.604 56.517 54.840 0.122 0.000 0.757 235 L CB -0.841 41.346 42.059 0.212 0.000 0.896 235 L HN 0.372 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 -0.129 4.611 4.740 0.000 0.000 0.183 236 N C 0.863 176.415 175.510 0.070 0.000 1.073 236 N CA 0.445 53.555 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 0.035 120.469 120.400 0.056 0.000 2.355 237 D HA 0.003 4.643 4.640 0.000 0.000 0.218 237 D C -0.012 176.322 176.300 0.058 0.000 1.004 237 D CA 0.245 54.275 54.000 0.050 0.000 0.880 237 D CB 0.148 40.968 40.800 0.034 0.000 0.911 237 D HN -0.017 nan 8.370 nan 0.000 0.528 238 V N 2.227 122.168 119.914 0.046 0.000 2.493 238 V HA 0.024 4.144 4.120 0.000 0.000 0.292 238 V C 0.896 177.036 176.094 0.076 0.000 1.016 238 V CA -0.113 62.216 62.300 0.047 0.000 1.097 238 V CB 0.528 32.354 31.823 0.004 0.000 0.947 238 V HN 0.133 nan 8.190 nan 0.000 0.479 239 S N 3.853 119.620 115.700 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 65.381 63.200 0.141 0.000 1.026 239 S HN 1.407 nan 8.310 nan 0.000 0.541 240 G N -0.007 108.852 108.800 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 -3.440 171.430 174.900 -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 0.355 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 -0.241 62.809 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 0.296 115.969 115.700 -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 -0.047 0.000 1.281 242 S CA -0.442 57.737 58.200 -0.035 0.000 1.035 242 S CB 0.303 63.492 63.200 -0.018 0.000 0.962 242 S HN 0.550 nan 8.310 nan 0.000 0.512 243 N N -0.412 118.263 118.700 -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 53.576 53.050 -0.045 0.000 0.711 243 N CB -1.672 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 0.707 176.745 176.117 -0.133 0.000 0.985 244 I CA -0.604 60.619 61.300 -0.129 0.000 1.221 244 I CB 1.535 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 6.329 121.940 115.700 -0.150 0.000 2.673 245 S HA -0.045 4.425 4.470 0.000 0.000 0.308 245 S C -0.177 174.289 174.600 -0.223 0.000 1.246 245 S CA 0.206 58.306 58.200 -0.166 0.000 1.077 245 S CB -0.102 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 4.771 125.064 120.400 -0.180 0.000 2.358 246 K HA 0.589 4.909 4.320 0.000 0.000 0.260 246 K C -1.517 174.948 176.600 -0.226 0.000 0.956 246 K CA -0.745 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 5.175 124.843 119.914 -0.410 0.000 2.604 247 V HA 0.437 4.557 4.120 0.000 0.000 0.305 247 V C -0.809 175.160 176.094 -0.208 0.000 1.043 247 V CA -0.836 61.264 62.300 -0.333 0.000 0.888 247 V CB 1.394 32.730 31.823 -0.813 0.000 0.995 247 V HN 0.629 nan 8.190 nan 0.000 0.429 248 F N 3.100 123.117 119.950 0.113 0.000 2.404 248 F HA 0.326 4.853 4.527 0.000 0.000 0.358 248 F C 0.222 176.262 175.800 0.399 0.000 1.120 248 F CA -0.064 58.092 58.000 0.259 0.000 1.144 248 F CB 0.666 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 5.822 127.379 121.300 0.429 0.000 2.150 249 W HA 0.351 5.011 4.660 0.000 0.000 0.341 249 W C -0.421 176.344 176.519 0.409 0.000 1.276 249 W CA 0.155 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 0.588 119.214 119.070 -0.740 0.000 3.037 250 H HA 0.387 4.943 4.556 0.000 0.000 0.355 250 H C -1.029 173.294 175.328 -1.674 0.000 1.263 250 H CA -1.269 54.188 56.048 -0.984 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 0.814 120.392 120.200 -1.038 0.000 2.568 251 E HA -0.098 4.252 4.350 0.000 0.000 0.262 251 E C -0.316 176.177 176.600 -0.179 0.000 0.961 251 E CA 0.862 56.979 56.400 -0.471 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 1.260 119.936 118.700 -0.039 0.000 2.725 252 N HA -0.240 4.500 4.740 0.000 0.000 0.249 252 N C -0.321 175.179 175.510 -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 1.145 120.051 119.070 -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 1.468 57.327 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 2.907 118.601 115.700 -0.009 0.000 2.419 254 S HA -0.165 4.305 4.470 0.000 0.000 0.235 254 S C 1.127 175.909 174.600 0.304 0.000 1.019 254 S CA 1.602 59.887 58.200 0.141 0.000 0.982 254 S CB 0.045 63.283 63.200 0.063 0.000 0.789 254 S HN 0.750 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 1.155 178.081 176.600 0.542 0.000 1.016 255 E CA 0.080 56.782 56.400 0.502 0.000 0.921 255 E CB 0.422 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 0.352 109.362 108.800 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 0.598 175.441 174.900 -0.094 0.000 1.184 256 G CA -0.177 44.855 45.100 -0.113 0.000 0.806 256 G HN 0.088 nan 8.290 nan 0.000 0.536 257 N N -0.013 118.720 118.700 0.054 0.000 2.197 257 N HA 0.095 4.835 4.740 0.000 0.000 0.228 257 N C 0.254 175.810 175.510 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 5.243 123.664 118.700 -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 -0.753 0.000 0.999 271 N CA -0.039 52.761 53.050 -0.418 0.000 0.935 271 N CB 1.253 39.685 38.487 -0.091 0.000 1.132 271 N HN 0.890 nan 8.380 nan 0.000 0.511 272 Q N 1.231 120.548 119.800 -0.805 0.000 2.364 272 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 272 Q C -0.615 175.345 176.000 -0.066 0.000 0.977 272 Q CA 1.182 56.700 55.803 -0.476 0.000 0.885 272 Q CB 0.160 28.847 28.738 -0.086 0.000 0.941 272 Q HN 0.377 nan 8.270 nan 0.000 0.464 273 D N -0.241 120.144 120.400 -0.025 0.000 2.363 273 D HA 0.068 4.708 4.640 0.000 0.000 0.214 273 D C 0.794 177.168 176.300 0.124 0.000 1.093 273 D CA -0.243 53.804 54.000 0.078 0.000 0.837 273 D CB -0.151 40.706 40.800 0.095 0.000 0.948 273 D HN 0.164 nan 8.370 nan 0.000 0.507 274 F N 1.743 121.687 119.950 -0.010 0.000 2.126 274 F HA -0.160 4.367 4.527 0.000 0.000 0.299 274 F C 0.967 176.849 175.800 0.136 0.000 1.096 274 F CA 1.155 59.184 58.000 0.048 0.000 1.255 274 F CB 0.264 39.280 39.000 0.026 0.000 0.997 274 F HN -0.185 nan 8.300 nan 0.000 0.479 278 A N 5.345 127.676 122.820 -0.815 0.000 1.896 278 A HA -0.090 4.230 4.320 0.000 0.000 0.220 278 A C -1.047 176.109 177.584 -0.712 0.000 1.206 278 A CA 2.462 54.044 52.037 -0.758 0.000 0.647 278 A CB -1.869 16.678 19.000 -0.755 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 0.257 177.302 177.300 -0.424 0.000 1.151 279 P CA 0.901 63.532 63.100 -0.781 0.000 0.770 279 P CB -0.190 30.982 31.700 -0.880 0.000 0.786 280 N N -0.633 117.798 118.700 -0.448 0.000 2.370 280 N HA 0.172 4.912 4.740 0.000 0.000 0.198 280 N C 0.964 176.067 175.510 -0.678 0.000 1.156 280 N CA 0.424 53.259 53.050 -0.358 0.000 0.839 280 N CB 0.266 38.514 38.487 -0.399 0.000 0.989 280 N HN 0.152 nan 8.380 nan 0.000 0.468 281 G N -0.435 107.795 108.800 -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 -1.262 0.000 1.292 281 G CA -0.638 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 -1.858 117.458 120.200 -1.473 0.000 2.421 282 E HA 0.291 4.641 4.350 0.000 0.000 0.278 282 E C -1.627 174.586 176.600 -0.646 0.000 1.141 282 E CA -0.985 54.969 56.400 -0.743 0.000 0.880 282 E CB 0.823 30.346 29.700 -0.295 0.000 1.381 282 E HN 0.442 nan 8.360 nan 0.000 0.436 283 I N 2.516 122.956 120.570 -0.216 0.000 2.308 283 I HA 0.177 4.347 4.170 0.000 0.000 0.293 283 I C -1.425 174.623 176.117 -0.115 0.000 1.078 283 I CA -1.866 59.372 61.300 -0.104 0.000 1.292 283 I CB 0.841 38.859 38.000 0.030 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 -0.065 0.000 1.150 284 P CA 1.281 64.312 63.100 -0.114 0.000 0.814 284 P CB 0.068 31.686 31.700 -0.137 0.000 0.787 285 N N -2.727 115.946 118.700 -0.045 0.000 3.395 285 N HA 0.112 4.852 4.740 0.000 0.000 0.293 285 N C -0.738 174.766 175.510 -0.009 0.000 1.489 285 N CA -0.720 52.315 53.050 -0.024 0.000 0.871 285 N CB -0.605 37.867 38.487 -0.025 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 -1.004 174.511 175.510 0.008 0.000 1.199 286 N CA -0.306 52.748 53.050 0.007 0.000 0.879 286 N CB -0.335 38.159 38.487 0.012 0.000 1.159 286 N HN 0.415 nan 8.380 nan 0.000 0.514 287 N N 0.707 119.410 118.700 0.005 0.000 2.444 287 N HA 0.150 4.890 4.740 0.000 0.000 0.255 287 N C 0.422 175.941 175.510 0.014 0.000 1.255 287 N CA -0.055 53.000 53.050 0.009 0.000 0.933 287 N CB 1.175 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 0.766 177.654 176.870 0.030 0.000 1.182 288 L CA -0.434 54.422 54.840 0.026 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 4.744 125.989 121.223 0.036 0.000 2.648 289 L HA 0.136 4.476 4.340 0.000 0.000 0.238 289 L C 0.645 177.549 176.870 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 41.222 42.059 0.069 0.000 1.499 289 L HN 0.694 nan 8.230 nan 0.000 0.411 290 N N -1.346 117.379 118.700 0.042 0.000 2.200 290 N HA 0.085 4.825 4.740 0.000 0.000 0.224 290 N C -0.201 175.319 175.510 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 -0.144 118.565 118.700 0.016 0.000 2.813 291 N HA 0.273 5.013 4.740 0.000 0.000 0.320 291 N C -0.150 175.354 175.510 -0.010 0.000 1.315 291 N CA -0.825 52.227 53.050 0.003 0.000 0.871 291 N CB -0.031 38.463 38.487 0.011 0.000 1.241 291 N HN -0.068 nan 8.380 nan 0.000 0.602 292 N N -1.570 117.121 118.700 -0.015 0.000 2.412 292 N HA 0.028 4.768 4.740 0.000 0.000 0.184 292 N C -0.131 175.402 175.510 0.039 0.000 1.101 292 N CA -0.010 53.019 53.050 -0.035 0.000 0.881 292 N CB 0.139 38.596 38.487 -0.049 0.000 0.969 292 N HN 0.628 nan 8.380 nan 0.000 0.459 293 S N 0.220 115.964 115.700 0.074 0.000 2.738 293 S HA 0.334 4.804 4.470 0.000 0.000 0.284 293 S C 0.528 175.233 174.600 0.175 0.000 1.146 293 S CA -0.819 57.452 58.200 0.119 0.000 0.997 293 S CB 0.847 64.076 63.200 0.049 0.000 1.081 293 S HN 0.133 nan 8.310 nan 0.000 0.553 294 L N -1.294 119.977 121.223 0.080 0.000 2.741 294 L HA 0.536 4.876 4.340 0.000 0.000 0.237 294 L C 0.262 177.130 176.870 -0.003 0.000 1.178 294 L CA -0.287 54.567 54.840 0.024 0.000 0.973 294 L CB -1.861 40.027 42.059 -0.285 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 0.004 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 -0.015 0.000 0.707 295 N CB -0.810 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 1.536 121.401 119.914 -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 -0.078 0.000 1.028 296 V CA -0.672 61.566 62.300 -0.105 0.000 0.860 296 V CB 1.841 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 4.840 125.370 120.570 -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 -0.055 0.000 1.175 297 I CA 0.257 61.525 61.300 -0.053 0.000 1.429 297 I CB 0.334 38.305 38.000 -0.049 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 28.722 28.738 -0.026 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481