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 1vzx_1_A DATA FIRST_RESID 82 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQYHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 82 K HA 0.000 nan 4.320 nan 0.000 0.191 82 K C 0.000 176.614 176.600 0.023 0.000 0.988 82 K CA 0.000 56.350 56.287 0.104 0.000 0.838 82 K CB 0.000 32.545 32.500 0.075 0.000 1.064 83 L N 3.234 124.404 121.223 -0.088 0.000 2.499 83 L HA 0.195 4.531 4.340 -0.007 0.000 0.273 83 L C -0.780 176.057 176.870 -0.055 0.000 1.195 83 L CA 1.138 55.793 54.840 -0.308 0.000 0.882 83 L CB 0.288 41.891 42.059 -0.760 0.000 1.133 83 L HN 0.406 nan 8.230 nan 0.000 0.483 84 K N 4.422 124.825 120.400 0.004 0.000 2.221 84 K HA 0.223 4.539 4.320 -0.007 0.000 0.258 84 K C 0.621 177.284 176.600 0.106 0.000 0.944 84 K CA -0.836 55.487 56.287 0.061 0.000 0.823 84 K CB 1.875 34.395 32.500 0.034 0.000 1.113 84 K HN 0.517 nan 8.250 nan 0.000 0.431 85 L N 2.117 123.388 121.223 0.081 0.000 2.034 85 L HA -0.277 4.058 4.340 -0.007 0.000 0.217 85 L C 1.661 178.357 176.870 -0.289 0.000 1.077 85 L CA 2.118 56.906 54.840 -0.088 0.000 0.769 85 L CB -0.464 41.554 42.059 -0.068 0.000 0.890 85 L HN 0.711 nan 8.230 nan 0.000 0.435 86 S N -0.558 115.076 115.700 -0.110 0.000 2.419 86 S HA -0.169 4.297 4.470 -0.007 0.000 0.233 86 S C 1.462 176.020 174.600 -0.071 0.000 1.016 86 S CA 1.104 59.249 58.200 -0.092 0.000 0.974 86 S CB -0.555 62.630 63.200 -0.025 0.000 0.786 86 S HN 0.568 nan 8.310 nan 0.000 0.492 87 D N 0.640 121.033 120.400 -0.011 0.000 2.182 87 D HA -0.090 4.545 4.640 -0.007 0.000 0.201 87 D C 1.558 177.951 176.300 0.155 0.000 0.986 87 D CA 1.006 55.049 54.000 0.072 0.000 0.847 87 D CB -0.070 40.788 40.800 0.098 0.000 0.942 87 D HN 0.777 nan 8.370 nan 0.000 0.467 88 W N -1.554 119.784 121.300 0.063 0.000 2.520 88 W HA 0.294 4.950 4.660 -0.006 0.000 0.272 88 W C -0.464 176.184 176.519 0.215 0.000 0.984 88 W CA -0.541 56.872 57.345 0.114 0.000 1.314 88 W CB -0.172 29.346 29.460 0.097 0.000 0.945 88 W HN -0.253 nan 8.180 nan 0.000 0.596 89 F N 4.410 123.765 119.950 -0.991 0.000 2.411 89 F HA 0.497 5.019 4.527 -0.007 0.000 0.352 89 F C -0.609 174.939 175.800 -0.421 0.000 1.123 89 F CA -1.310 56.141 58.000 -0.915 0.000 1.044 89 F CB 1.003 39.087 39.000 -1.527 0.000 1.135 89 F HN -0.234 nan 8.300 nan 0.000 0.461 90 N N 8.320 126.539 118.700 -0.802 0.000 2.623 90 N HA 0.322 5.057 4.740 -0.007 0.000 0.256 90 N C -2.168 172.844 175.510 -0.831 0.000 1.045 90 N CA -2.367 50.327 53.050 -0.594 0.000 0.863 90 N CB 1.776 40.115 38.487 -0.246 0.000 1.182 90 N HN 0.277 nan 8.380 nan 0.000 0.523 91 P HA -0.089 nan 4.420 nan 0.000 0.220 91 P C 1.123 178.088 177.300 -0.559 0.000 1.148 91 P CA 0.931 63.524 63.100 -0.846 0.000 0.803 91 P CB 0.007 31.273 31.700 -0.723 0.000 0.782 92 F N 0.733 120.529 119.950 -0.256 0.000 2.408 92 F HA -0.081 4.442 4.527 -0.007 0.000 0.300 92 F C 2.253 177.952 175.800 -0.170 0.000 1.090 92 F CA 0.767 58.661 58.000 -0.176 0.000 1.427 92 F CB -0.690 38.224 39.000 -0.143 0.000 1.070 92 F HN -0.164 nan 8.300 nan 0.000 0.549 93 K N 0.189 120.546 120.400 -0.071 0.000 2.283 93 K HA -0.009 4.307 4.320 -0.007 0.000 0.202 93 K C 0.509 177.046 176.600 -0.104 0.000 1.048 93 K CA 0.808 57.044 56.287 -0.085 0.000 0.948 93 K CB -0.038 32.389 32.500 -0.122 0.000 0.742 93 K HN 0.117 nan 8.250 nan 0.000 0.458 94 R N 0.726 121.136 120.500 -0.150 0.000 2.629 94 R HA 0.156 4.492 4.340 -0.007 0.000 0.277 94 R C -2.042 174.126 176.300 -0.220 0.000 1.637 94 R CA -1.525 54.458 56.100 -0.195 0.000 1.663 94 R CB 0.717 30.875 30.300 -0.237 0.000 1.228 94 R HN -0.008 nan 8.270 nan 0.000 0.632 95 P HA -0.088 nan 4.420 nan 0.000 0.222 95 P C 0.413 177.635 177.300 -0.130 0.000 1.147 95 P CA 0.921 63.957 63.100 -0.107 0.000 0.790 95 P CB 0.658 32.337 31.700 -0.035 0.000 0.780 96 E N -0.145 119.952 120.200 -0.172 0.000 2.502 96 E HA 0.043 4.389 4.350 -0.007 0.000 0.194 96 E C 0.793 177.259 176.600 -0.224 0.000 1.062 96 E CA -0.008 56.292 56.400 -0.165 0.000 0.867 96 E CB -0.074 29.536 29.700 -0.151 0.000 0.888 96 E HN 0.246 nan 8.360 nan 0.000 0.510 97 V N -3.942 115.762 119.914 -0.348 0.000 3.141 97 V HA 0.496 4.611 4.120 -0.007 0.000 0.312 97 V C 0.139 176.105 176.094 -0.213 0.000 1.157 97 V CA -1.356 60.692 62.300 -0.421 0.000 1.041 97 V CB 1.776 32.851 31.823 -1.245 0.000 1.071 97 V HN -0.320 nan 8.190 nan 0.000 0.441 98 V N 2.136 122.073 119.914 0.039 0.000 2.470 98 V HA 0.309 4.425 4.120 -0.007 0.000 0.276 98 V C 1.448 177.704 176.094 0.270 0.000 1.040 98 V CA 0.935 63.350 62.300 0.193 0.000 1.008 98 V CB 0.443 32.489 31.823 0.372 0.000 0.990 98 V HN 1.214 nan 8.190 nan 0.000 0.477 99 T N 1.127 115.780 114.554 0.166 0.000 2.975 99 T HA 0.406 4.752 4.350 -0.007 0.000 0.257 99 T C 0.300 175.143 174.700 0.237 0.000 1.003 99 T CA -0.125 62.142 62.100 0.280 0.000 0.932 99 T CB 0.435 69.381 68.868 0.130 0.000 1.087 99 T HN 0.327 nan 8.240 nan 0.000 0.512 100 M N 2.877 122.535 119.600 0.096 0.000 2.378 100 M HA 0.399 4.875 4.480 -0.007 0.000 0.289 100 M C -0.531 175.722 176.300 -0.079 0.000 1.136 100 M CA -0.403 54.890 55.300 -0.013 0.000 0.917 100 M CB 2.465 35.057 32.600 -0.014 0.000 1.669 100 M HN 0.315 nan 8.290 nan 0.000 0.461 101 T N -1.285 113.096 114.554 -0.288 0.000 2.847 101 T HA 0.384 4.730 4.350 -0.007 0.000 0.279 101 T C 1.069 175.563 174.700 -0.343 0.000 0.984 101 T CA -0.689 61.120 62.100 -0.484 0.000 0.988 101 T CB 1.077 69.026 68.868 -1.533 0.000 1.040 101 T HN 0.834 nan 8.240 nan 0.000 0.528 102 K N -0.393 119.908 120.400 -0.165 0.000 2.360 102 K HA -0.070 4.245 4.320 -0.007 0.000 0.201 102 K C 1.104 177.812 176.600 0.179 0.000 1.046 102 K CA 0.992 57.324 56.287 0.075 0.000 0.945 102 K CB -0.446 32.176 32.500 0.204 0.000 0.750 102 K HN 0.889 nan 8.250 nan 0.000 0.464 103 W N 1.226 122.591 121.300 0.107 0.000 3.305 103 W HA 0.421 5.077 4.660 -0.008 0.000 0.392 103 W C -0.593 175.968 176.519 0.070 0.000 1.121 103 W CA -0.928 56.466 57.345 0.082 0.000 1.909 103 W CB 0.533 30.044 29.460 0.084 0.000 1.065 103 W HN -0.133 nan 8.180 nan 0.000 0.714 104 K N -0.870 119.495 120.400 -0.057 0.000 3.391 104 K HA -0.235 4.081 4.320 -0.007 0.000 0.307 104 K C 0.245 176.774 176.600 -0.119 0.000 1.304 104 K CA 1.294 57.547 56.287 -0.058 0.000 0.904 104 K CB -2.293 30.233 32.500 0.044 0.000 1.293 104 K HN 0.506 nan 8.250 nan 0.000 0.470 105 A N 1.948 124.581 122.820 -0.311 0.000 2.331 105 A HA 0.557 4.873 4.320 -0.007 0.000 0.283 105 A C -1.936 175.478 177.584 -0.283 0.000 1.142 105 A CA -1.127 50.774 52.037 -0.227 0.000 0.812 105 A CB 0.490 19.387 19.000 -0.171 0.000 1.074 105 A HN -0.015 nan 8.150 nan 0.000 0.497 106 P HA 0.316 nan 4.420 nan 0.000 0.281 106 P C -0.848 176.257 177.300 -0.326 0.000 1.249 106 P CA -0.206 62.579 63.100 -0.525 0.000 0.810 106 P CB 1.343 32.282 31.700 -1.267 0.000 1.008 107 V N 3.503 123.345 119.914 -0.120 0.000 2.313 107 V HA 0.104 4.220 4.120 -0.007 0.000 0.278 107 V C 0.446 176.640 176.094 0.167 0.000 1.017 107 V CA -0.788 61.503 62.300 -0.015 0.000 0.823 107 V CB 1.540 33.438 31.823 0.125 0.000 1.010 107 V HN 0.261 nan 8.190 nan 0.000 0.443 108 V N 5.186 125.106 119.914 0.010 0.000 2.415 108 V HA 0.191 4.307 4.120 -0.007 0.000 0.267 108 V C -0.323 175.880 176.094 0.183 0.000 1.042 108 V CA -0.114 62.314 62.300 0.214 0.000 1.000 108 V CB -0.258 31.592 31.823 0.045 0.000 1.015 108 V HN 0.820 nan 8.190 nan 0.000 0.478 109 W N 2.152 123.664 121.300 0.354 0.000 2.639 109 W HA 0.557 5.213 4.660 -0.007 0.000 0.347 109 W C 0.319 177.015 176.519 0.295 0.000 1.067 109 W CA -0.968 56.527 57.345 0.250 0.000 1.218 109 W CB 0.974 30.501 29.460 0.112 0.000 1.393 109 W HN 0.461 nan 8.180 nan 0.000 0.557 110 E N 0.838 121.301 120.200 0.438 0.000 2.465 110 E HA 0.327 4.673 4.350 -0.007 0.000 0.260 110 E C 1.043 177.697 176.600 0.091 0.000 0.980 110 E CA 1.935 58.498 56.400 0.271 0.000 0.927 110 E CB 0.286 30.060 29.700 0.123 0.000 0.934 110 E HN 0.657 nan 8.360 nan 0.000 0.459 111 G N 2.961 111.665 108.800 -0.161 0.000 2.279 111 G HA2 -0.336 3.619 3.960 -0.007 0.000 0.223 111 G HA3 -0.336 3.619 3.960 -0.007 0.000 0.223 111 G C 1.042 175.835 174.900 -0.178 0.000 1.015 111 G CA 0.751 45.742 45.100 -0.182 0.000 0.621 111 G HN 0.866 nan 8.290 nan 0.000 0.506 112 T N -1.197 113.322 114.554 -0.058 0.000 3.081 112 T HA 0.428 4.774 4.350 -0.007 0.000 0.255 112 T C 0.957 175.693 174.700 0.059 0.000 1.113 112 T CA 1.135 63.182 62.100 -0.088 0.000 1.082 112 T CB -0.176 68.653 68.868 -0.065 0.000 0.939 112 T HN 1.312 nan 8.240 nan 0.000 0.506 113 Y N 0.166 120.619 120.300 0.254 0.000 2.420 113 Y HA 0.733 5.278 4.550 -0.007 0.000 0.334 113 Y C -0.290 175.785 175.900 0.292 0.000 1.094 113 Y CA -2.349 56.003 58.100 0.419 0.000 1.126 113 Y CB 0.796 39.575 38.460 0.532 0.000 1.217 113 Y HN -0.150 nan 8.280 nan 0.000 0.462 114 N N 3.444 122.452 118.700 0.513 0.000 2.816 114 N HA 0.165 4.901 4.740 -0.007 0.000 0.236 114 N C 0.674 176.421 175.510 0.395 0.000 1.076 114 N CA -0.285 52.964 53.050 0.332 0.000 0.902 114 N CB 0.478 39.120 38.487 0.258 0.000 1.149 114 N HN 0.988 nan 8.380 nan 0.000 0.506 115 R N 2.284 123.048 120.500 0.441 0.000 2.096 115 R HA -0.097 4.239 4.340 -0.007 0.000 0.235 115 R C 1.643 178.079 176.300 0.228 0.000 1.127 115 R CA 1.729 58.028 56.100 0.333 0.000 0.968 115 R CB 0.056 30.565 30.300 0.348 0.000 0.861 115 R HN 0.527 nan 8.270 nan 0.000 0.440 116 A N 0.193 123.131 122.820 0.196 0.000 1.883 116 A HA -0.145 4.171 4.320 -0.007 0.000 0.217 116 A C 2.242 179.917 177.584 0.152 0.000 1.186 116 A CA 1.758 53.886 52.037 0.152 0.000 0.624 116 A CB -0.654 18.417 19.000 0.119 0.000 0.822 116 A HN 0.232 nan 8.150 nan 0.000 0.444 117 V N -0.008 120.003 119.914 0.162 0.000 2.343 117 V HA -0.244 3.871 4.120 -0.007 0.000 0.247 117 V C 2.551 178.730 176.094 0.142 0.000 1.051 117 V CA 1.965 64.354 62.300 0.149 0.000 1.036 117 V CB -0.654 31.269 31.823 0.167 0.000 0.654 117 V HN 0.566 nan 8.190 nan 0.000 0.451 118 L N -0.692 120.619 121.223 0.147 0.000 2.072 118 L HA -0.116 4.220 4.340 -0.007 0.000 0.205 118 L C 2.381 179.398 176.870 0.245 0.000 1.079 118 L CA 1.340 56.247 54.840 0.111 0.000 0.752 118 L CB -0.721 41.371 42.059 0.055 0.000 0.906 118 L HN 0.305 nan 8.230 nan 0.000 0.436 119 D N 0.137 120.693 120.400 0.260 0.000 2.123 119 D HA -0.212 4.424 4.640 -0.007 0.000 0.196 119 D C 1.875 178.355 176.300 0.300 0.000 0.992 119 D CA 1.465 55.680 54.000 0.358 0.000 0.833 119 D CB -0.168 40.794 40.800 0.270 0.000 0.954 119 D HN 0.280 nan 8.370 nan 0.000 0.455 120 N N -0.397 118.421 118.700 0.198 0.000 2.106 120 N HA -0.219 4.517 4.740 -0.007 0.000 0.188 120 N C 1.878 177.472 175.510 0.141 0.000 1.029 120 N CA 0.956 54.094 53.050 0.147 0.000 0.848 120 N CB -0.378 38.181 38.487 0.119 0.000 1.007 120 N HN 0.146 nan 8.380 nan 0.000 0.423 121 Y N -0.061 120.230 120.300 -0.015 0.000 2.128 121 Y HA -0.242 4.304 4.550 -0.006 0.000 0.284 121 Y C 1.596 177.414 175.900 -0.136 0.000 1.154 121 Y CA 1.874 59.895 58.100 -0.132 0.000 1.149 121 Y CB -0.694 37.585 38.460 -0.301 0.000 0.976 121 Y HN 0.228 nan 8.280 nan 0.000 0.505 122 Y N -0.657 119.645 120.300 0.004 0.000 2.314 122 Y HA -0.068 4.477 4.550 -0.008 0.000 0.293 122 Y C 2.601 178.506 175.900 0.008 0.000 1.129 122 Y CA 0.571 58.607 58.100 -0.108 0.000 1.201 122 Y CB -0.488 37.880 38.460 -0.155 0.000 0.999 122 Y HN 0.246 nan 8.280 nan 0.000 0.541 123 A N 0.603 123.598 122.820 0.291 0.000 1.902 123 A HA -0.209 4.107 4.320 -0.007 0.000 0.217 123 A C 2.089 179.720 177.584 0.079 0.000 1.181 123 A CA 1.666 53.832 52.037 0.214 0.000 0.623 123 A CB -0.447 18.637 19.000 0.141 0.000 0.818 123 A HN 0.359 nan 8.150 nan 0.000 0.443 124 K N -0.458 119.951 120.400 0.015 0.000 2.209 124 K HA -0.147 4.169 4.320 -0.007 0.000 0.204 124 K C 1.840 178.406 176.600 -0.055 0.000 1.048 124 K CA 1.484 57.753 56.287 -0.029 0.000 0.940 124 K CB -0.135 32.332 32.500 -0.055 0.000 0.729 124 K HN 0.622 nan 8.250 nan 0.000 0.451 125 Q N 0.516 120.261 119.800 -0.092 0.000 2.403 125 Q HA 0.052 4.388 4.340 -0.007 0.000 0.203 125 Q C -0.621 175.387 176.000 0.014 0.000 0.932 125 Q CA 0.024 55.785 55.803 -0.070 0.000 0.945 125 Q CB 0.297 28.957 28.738 -0.131 0.000 1.045 125 Q HN 0.113 nan 8.270 nan 0.000 0.511 126 K N 1.592 122.021 120.400 0.048 0.000 3.689 126 K HA -0.188 4.128 4.320 -0.007 0.000 0.276 126 K C -0.089 176.561 176.600 0.083 0.000 0.932 126 K CA 0.252 56.581 56.287 0.070 0.000 0.758 126 K CB -1.945 30.578 32.500 0.039 0.000 1.500 126 K HN 0.446 nan 8.250 nan 0.000 0.448 127 I N -2.723 117.919 120.570 0.120 0.000 2.834 127 I HA 0.398 4.564 4.170 -0.007 0.000 0.305 127 I C 0.224 176.394 176.117 0.088 0.000 1.008 127 I CA -0.353 61.009 61.300 0.104 0.000 1.273 127 I CB 1.566 39.640 38.000 0.124 0.000 1.432 127 I HN -0.038 nan 8.210 nan 0.000 0.557 128 T N 3.462 118.062 114.554 0.078 0.000 2.886 128 T HA 0.554 4.899 4.350 -0.007 0.000 0.292 128 T C -0.574 174.187 174.700 0.102 0.000 1.012 128 T CA -0.441 61.703 62.100 0.073 0.000 0.982 128 T CB 1.935 70.841 68.868 0.064 0.000 1.018 128 T HN 0.453 nan 8.240 nan 0.000 0.451 129 V N 2.112 122.090 119.914 0.107 0.000 2.513 129 V HA 0.827 4.943 4.120 -0.007 0.000 0.299 129 V C 0.686 176.953 176.094 0.287 0.000 1.035 129 V CA -0.707 61.712 62.300 0.199 0.000 0.889 129 V CB 1.860 33.759 31.823 0.126 0.000 0.988 129 V HN 1.032 nan 8.190 nan 0.000 0.440 130 G N 2.708 111.727 108.800 0.365 0.000 2.434 130 G HA2 0.704 4.659 3.960 -0.007 0.000 0.330 130 G HA3 0.704 4.659 3.960 -0.007 0.000 0.330 130 G C -1.579 173.607 174.900 0.477 0.000 1.155 130 G CA -0.538 44.817 45.100 0.426 0.000 0.917 130 G HN 0.637 nan 8.290 nan 0.000 0.493 131 L N 1.088 122.565 121.223 0.422 0.000 2.528 131 L HA 0.589 4.925 4.340 -0.007 0.000 0.267 131 L C 0.197 177.268 176.870 0.335 0.000 0.961 131 L CA -0.445 54.567 54.840 0.287 0.000 0.866 131 L CB 1.885 43.955 42.059 0.018 0.000 1.248 131 L HN 0.754 nan 8.230 nan 0.000 0.404 132 T N 1.812 116.504 114.554 0.230 0.000 2.867 132 T HA 0.793 5.139 4.350 -0.007 0.000 0.282 132 T C -0.674 174.053 174.700 0.045 0.000 1.000 132 T CA -0.730 61.463 62.100 0.156 0.000 1.042 132 T CB 1.753 70.664 68.868 0.072 0.000 0.973 132 T HN 0.740 nan 8.240 nan 0.000 0.465 133 V N 3.435 123.322 119.914 -0.046 0.000 2.817 133 V HA 0.636 4.752 4.120 -0.007 0.000 0.303 133 V C -1.956 174.050 176.094 -0.146 0.000 1.151 133 V CA -1.052 61.168 62.300 -0.133 0.000 0.929 133 V CB 1.508 33.098 31.823 -0.389 0.000 1.030 133 V HN 0.907 nan 8.190 nan 0.000 0.427 134 F N 4.592 124.437 119.950 -0.175 0.000 2.422 134 F HA 0.881 5.404 4.527 -0.006 0.000 0.333 134 F C 0.575 176.308 175.800 -0.112 0.000 1.095 134 F CA -0.194 57.736 58.000 -0.117 0.000 1.038 134 F CB 2.207 41.136 39.000 -0.118 0.000 1.156 134 F HN 0.699 nan 8.300 nan 0.000 0.483 135 A N 2.744 125.625 122.820 0.102 0.000 2.599 135 A HA 0.683 4.998 4.320 -0.007 0.000 0.281 135 A C -1.781 175.867 177.584 0.106 0.000 1.137 135 A CA -0.515 51.590 52.037 0.112 0.000 0.767 135 A CB 0.475 19.536 19.000 0.102 0.000 1.266 135 A HN 0.484 nan 8.150 nan 0.000 0.420 136 V N 2.263 122.224 119.914 0.078 0.000 2.495 136 V HA 0.845 4.961 4.120 -0.007 0.000 0.298 136 V C 1.026 177.193 176.094 0.121 0.000 1.031 136 V CA 0.716 63.060 62.300 0.074 0.000 0.871 136 V CB 0.824 32.667 31.823 0.034 0.000 0.988 136 V HN 2.259 nan 8.190 nan 0.000 0.432 137 G N 5.152 114.025 108.800 0.122 0.000 2.525 137 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.248 137 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.248 137 G C 0.482 175.475 174.900 0.156 0.000 1.238 137 G CA 0.128 45.310 45.100 0.138 0.000 0.926 137 G HN 0.586 nan 8.290 nan 0.000 0.574 138 R N -0.112 120.471 120.500 0.138 0.000 2.339 138 R HA 0.094 4.430 4.340 -0.007 0.000 0.199 138 R C 2.089 178.396 176.300 0.011 0.000 1.018 138 R CA 1.243 57.369 56.100 0.044 0.000 1.036 138 R CB -0.829 29.420 30.300 -0.085 0.000 0.899 138 R HN 0.661 nan 8.270 nan 0.000 0.473 139 Y N 0.403 120.708 120.300 0.007 0.000 2.333 139 Y HA -0.109 4.437 4.550 -0.007 0.000 0.290 139 Y C 2.195 178.145 175.900 0.083 0.000 1.144 139 Y CA 0.782 58.943 58.100 0.101 0.000 1.228 139 Y CB -0.195 38.373 38.460 0.179 0.000 0.985 139 Y HN -0.046 nan 8.280 nan 0.000 0.542 140 I N -0.130 120.559 120.570 0.198 0.000 2.113 140 I HA -0.291 3.875 4.170 -0.007 0.000 0.238 140 I C 1.938 178.092 176.117 0.063 0.000 1.070 140 I CA 1.606 62.978 61.300 0.119 0.000 1.332 140 I CB -0.319 37.734 38.000 0.088 0.000 1.044 140 I HN 0.147 nan 8.210 nan 0.000 0.402 141 E N -0.222 120.005 120.200 0.046 0.000 2.150 141 E HA -0.181 4.164 4.350 -0.007 0.000 0.193 141 E C 2.129 178.680 176.600 -0.082 0.000 0.985 141 E CA 0.988 57.390 56.400 0.003 0.000 0.814 141 E CB -0.165 29.552 29.700 0.028 0.000 0.752 141 E HN 0.532 nan 8.360 nan 0.000 0.466 142 H N -1.905 116.965 119.070 -0.333 0.000 2.403 142 H HA 0.007 4.559 4.556 -0.007 0.000 0.298 142 H C 0.897 175.844 175.328 -0.634 0.000 1.059 142 H CA 1.262 56.921 56.048 -0.648 0.000 1.363 142 H CB 0.390 29.434 29.762 -1.197 0.000 1.410 142 H HN 0.309 nan 8.280 nan 0.000 0.528 143 Y N -1.658 118.716 120.300 0.123 0.000 2.441 143 Y HA 0.007 4.552 4.550 -0.008 0.000 0.266 143 Y C 2.001 177.969 175.900 0.115 0.000 1.093 143 Y CA -0.374 57.791 58.100 0.107 0.000 1.246 143 Y CB 0.243 38.765 38.460 0.103 0.000 1.262 143 Y HN -0.052 nan 8.280 nan 0.000 0.518 144 L N 1.354 122.704 121.223 0.211 0.000 2.012 144 L HA -0.199 4.137 4.340 -0.007 0.000 0.210 144 L C 2.487 179.436 176.870 0.131 0.000 1.073 144 L CA 2.043 56.972 54.840 0.149 0.000 0.748 144 L CB -0.555 41.550 42.059 0.077 0.000 0.891 144 L HN 0.251 nan 8.230 nan 0.000 0.431 145 E N -0.030 120.216 120.200 0.077 0.000 2.051 145 E HA -0.267 4.079 4.350 -0.007 0.000 0.192 145 E C 2.024 178.660 176.600 0.060 0.000 0.991 145 E CA 1.858 58.279 56.400 0.036 0.000 0.799 145 E CB -0.133 29.572 29.700 0.009 0.000 0.748 145 E HN 0.677 nan 8.360 nan 0.000 0.449 146 E N -0.558 119.706 120.200 0.107 0.000 2.110 146 E HA -0.173 4.172 4.350 -0.007 0.000 0.193 146 E C 1.992 178.677 176.600 0.141 0.000 0.988 146 E CA 1.134 57.607 56.400 0.121 0.000 0.804 146 E CB -0.307 29.490 29.700 0.162 0.000 0.745 146 E HN 0.245 nan 8.360 nan 0.000 0.458 147 F N 1.287 121.271 119.950 0.057 0.000 2.051 147 F HA -0.178 4.345 4.527 -0.008 0.000 0.296 147 F C 1.941 177.717 175.800 -0.039 0.000 1.122 147 F CA 1.370 59.395 58.000 0.042 0.000 1.201 147 F CB -0.186 38.819 39.000 0.009 0.000 0.978 147 F HN -0.096 nan 8.300 nan 0.000 0.472 148 L N -0.505 120.698 121.223 -0.033 0.000 2.046 148 L HA -0.227 4.109 4.340 -0.007 0.000 0.208 148 L C 2.351 179.044 176.870 -0.296 0.000 1.077 148 L CA 1.762 56.414 54.840 -0.314 0.000 0.747 148 L CB -1.200 40.735 42.059 -0.206 0.000 0.896 148 L HN 0.178 nan 8.230 nan 0.000 0.432 149 T N -0.702 113.768 114.554 -0.140 0.000 2.746 149 T HA -0.169 4.177 4.350 -0.007 0.000 0.267 149 T C 2.130 176.764 174.700 -0.111 0.000 1.039 149 T CA 1.710 63.754 62.100 -0.094 0.000 1.142 149 T CB -0.183 68.663 68.868 -0.037 0.000 0.866 149 T HN 0.558 nan 8.240 nan 0.000 0.444 150 S N 1.670 117.318 115.700 -0.088 0.000 2.387 150 S HA 0.115 4.581 4.470 -0.007 0.000 0.226 150 S C 2.420 176.907 174.600 -0.188 0.000 1.026 150 S CA 0.799 58.999 58.200 0.001 0.000 0.972 150 S CB -0.515 62.804 63.200 0.199 0.000 0.814 150 S HN 0.469 nan 8.310 nan 0.000 0.477 151 A N 2.819 125.340 122.820 -0.497 0.000 1.902 151 A HA -0.115 4.201 4.320 -0.007 0.000 0.217 151 A C 2.109 179.496 177.584 -0.328 0.000 1.181 151 A CA 1.839 53.304 52.037 -0.952 0.000 0.623 151 A CB -1.403 16.859 19.000 -1.230 0.000 0.818 151 A HN 0.635 nan 8.150 nan 0.000 0.443 152 N N -0.051 118.571 118.700 -0.130 0.000 2.094 152 N HA -0.226 4.510 4.740 -0.007 0.000 0.191 152 N C 1.699 177.187 175.510 -0.037 0.000 1.023 152 N CA 2.264 55.376 53.050 0.102 0.000 0.857 152 N CB -0.264 38.262 38.487 0.066 0.000 1.013 152 N HN 0.574 nan 8.380 nan 0.000 0.426 153 K N -1.634 118.661 120.400 -0.176 0.000 2.167 153 K HA -0.075 4.240 4.320 -0.007 0.000 0.203 153 K C 1.044 177.427 176.600 -0.361 0.000 1.052 153 K CA 1.011 57.116 56.287 -0.304 0.000 0.956 153 K CB 0.014 32.238 32.500 -0.460 0.000 0.735 153 K HN 0.403 nan 8.250 nan 0.000 0.451 154 H N -1.745 117.268 119.070 -0.094 0.000 2.855 154 H HA 0.053 4.604 4.556 -0.007 0.000 0.259 154 H C -0.401 174.890 175.328 -0.061 0.000 0.972 154 H CA -0.261 55.758 56.048 -0.049 0.000 1.213 154 H CB 0.140 29.932 29.762 0.050 0.000 1.451 154 H HN 0.036 nan 8.280 nan 0.000 0.484 155 F N 3.559 123.313 119.950 -0.327 0.000 2.471 155 F HA 0.142 4.664 4.527 -0.008 0.000 0.365 155 F C 0.729 176.503 175.800 -0.044 0.000 1.095 155 F CA -0.606 57.225 58.000 -0.281 0.000 1.174 155 F CB 0.305 39.003 39.000 -0.503 0.000 1.105 155 F HN -0.001 nan 8.300 nan 0.000 0.535 156 M N 5.144 124.453 119.600 -0.484 0.000 2.206 156 M HA -0.194 4.281 4.480 -0.007 0.000 0.197 156 M C -0.454 175.805 176.300 -0.067 0.000 0.375 156 M CA 0.341 55.426 55.300 -0.357 0.000 0.410 156 M CB -2.882 29.335 32.600 -0.637 0.000 1.204 156 M HN 0.164 nan 8.290 nan 0.000 0.932 157 V N 0.358 120.265 119.914 -0.011 0.000 2.617 157 V HA 0.335 4.451 4.120 -0.007 0.000 0.304 157 V C 1.717 177.795 176.094 -0.027 0.000 1.040 157 V CA 1.619 63.917 62.300 -0.004 0.000 1.149 157 V CB 0.795 32.628 31.823 0.016 0.000 0.914 157 V HN 1.009 nan 8.190 nan 0.000 0.487 158 G N 3.346 112.080 108.800 -0.110 0.000 2.176 158 G HA2 -0.164 3.791 3.960 -0.007 0.000 0.232 158 G HA3 -0.164 3.791 3.960 -0.007 0.000 0.232 158 G C 0.016 174.591 174.900 -0.541 0.000 0.986 158 G CA -0.004 44.926 45.100 -0.282 0.000 0.643 158 G HN 0.782 nan 8.290 nan 0.000 0.522 159 H N -0.053 118.984 119.070 -0.055 0.000 2.768 159 H HA 0.401 4.952 4.556 -0.008 0.000 0.371 159 H C -2.735 172.552 175.328 -0.069 0.000 1.151 159 H CA -1.805 54.210 56.048 -0.056 0.000 1.165 159 H CB 2.102 31.818 29.762 -0.077 0.000 1.722 159 H HN -0.002 nan 8.280 nan 0.000 0.543 160 P HA 0.017 nan 4.420 nan 0.000 0.264 160 P C -0.582 176.708 177.300 -0.016 0.000 1.193 160 P CA 0.163 63.261 63.100 -0.002 0.000 0.763 160 P CB 0.636 32.342 31.700 0.011 0.000 0.810 161 V N 5.399 125.255 119.914 -0.097 0.000 2.789 161 V HA 0.465 4.581 4.120 -0.007 0.000 0.311 161 V C -0.053 175.853 176.094 -0.313 0.000 1.073 161 V CA -0.544 61.671 62.300 -0.143 0.000 0.921 161 V CB 2.246 33.976 31.823 -0.156 0.000 1.009 161 V HN 0.343 nan 8.190 nan 0.000 0.426 162 I N 3.837 124.233 120.570 -0.290 0.000 2.447 162 I HA 0.459 4.625 4.170 -0.007 0.000 0.287 162 I C -1.030 174.812 176.117 -0.459 0.000 1.023 162 I CA -0.202 60.843 61.300 -0.425 0.000 1.083 162 I CB 1.650 39.400 38.000 -0.416 0.000 1.245 162 I HN 0.437 nan 8.210 nan 0.000 0.434 163 F N 5.456 125.285 119.950 -0.202 0.000 2.411 163 F HA 0.367 4.890 4.527 -0.007 0.000 0.355 163 F C -0.379 175.325 175.800 -0.160 0.000 1.117 163 F CA -0.726 57.199 58.000 -0.125 0.000 1.139 163 F CB 0.726 39.724 39.000 -0.004 0.000 1.120 163 F HN 0.324 nan 8.300 nan 0.000 0.493 164 Y N 4.450 124.936 120.300 0.310 0.000 2.385 164 Y HA 0.457 5.002 4.550 -0.008 0.000 0.341 164 Y C 0.012 175.971 175.900 0.100 0.000 0.965 164 Y CA -0.733 57.508 58.100 0.235 0.000 1.180 164 Y CB 0.649 39.219 38.460 0.183 0.000 1.139 164 Y HN 0.355 nan 8.280 nan 0.000 0.502 165 I N 4.904 125.611 120.570 0.229 0.000 2.321 165 I HA 0.303 4.469 4.170 -0.007 0.000 0.291 165 I C -0.616 175.500 176.117 -0.002 0.000 0.998 165 I CA -0.653 60.679 61.300 0.054 0.000 1.227 165 I CB 1.015 39.041 38.000 0.042 0.000 1.368 165 I HN 0.462 nan 8.210 nan 0.000 0.466 166 M N 7.990 127.450 119.600 -0.232 0.000 2.101 166 M HA 0.435 4.911 4.480 -0.007 0.000 0.340 166 M C -0.482 175.734 176.300 -0.140 0.000 1.057 166 M CA -0.593 54.525 55.300 -0.304 0.000 0.984 166 M CB 1.410 33.419 32.600 -0.986 0.000 1.560 166 M HN 0.414 nan 8.290 nan 0.000 0.435 167 V N 0.340 120.245 119.914 -0.015 0.000 3.078 167 V HA 0.689 4.805 4.120 -0.007 0.000 0.311 167 V C 0.161 176.289 176.094 0.056 0.000 1.138 167 V CA -0.774 61.545 62.300 0.031 0.000 1.007 167 V CB 2.177 34.019 31.823 0.032 0.000 1.045 167 V HN 0.844 nan 8.190 nan 0.000 0.432 168 D N -0.018 120.420 120.400 0.064 0.000 2.333 168 D HA 0.031 4.667 4.640 -0.007 0.000 0.208 168 D C 0.038 176.370 176.300 0.054 0.000 0.984 168 D CA 0.565 54.603 54.000 0.063 0.000 0.873 168 D CB 0.542 41.380 40.800 0.063 0.000 0.935 168 D HN 0.657 nan 8.370 nan 0.000 0.521 169 D N 0.522 120.952 120.400 0.050 0.000 2.402 169 D HA 0.124 4.759 4.640 -0.007 0.000 0.252 169 D C 1.056 177.378 176.300 0.038 0.000 1.294 169 D CA -0.580 53.445 54.000 0.042 0.000 0.948 169 D CB 2.036 42.861 40.800 0.041 0.000 1.202 169 D HN -0.259 nan 8.370 nan 0.000 0.561 170 V N 2.678 122.613 119.914 0.036 0.000 2.626 170 V HA -0.187 3.928 4.120 -0.007 0.000 0.252 170 V C 2.447 178.556 176.094 0.026 0.000 1.067 170 V CA 2.025 64.343 62.300 0.031 0.000 1.081 170 V CB -0.585 31.256 31.823 0.030 0.000 0.686 170 V HN 0.662 nan 8.190 nan 0.000 0.468 171 S N 0.751 116.466 115.700 0.025 0.000 2.469 171 S HA -0.166 4.300 4.470 -0.007 0.000 0.238 171 S C 1.808 176.419 174.600 0.019 0.000 0.998 171 S CA 1.029 59.241 58.200 0.021 0.000 0.957 171 S CB -0.403 62.808 63.200 0.019 0.000 0.764 171 S HN 0.649 nan 8.310 nan 0.000 0.514 172 R N -0.192 120.320 120.500 0.021 0.000 2.359 172 R HA 0.380 4.716 4.340 -0.007 0.000 0.231 172 R C 0.121 176.429 176.300 0.013 0.000 0.913 172 R CA -0.232 55.879 56.100 0.019 0.000 1.075 172 R CB -0.089 30.227 30.300 0.027 0.000 1.087 172 R HN 0.389 nan 8.270 nan 0.000 0.515 173 M N 3.076 122.682 119.600 0.010 0.000 2.268 173 M HA 0.081 4.557 4.480 -0.007 0.000 0.349 173 M C -1.613 174.676 176.300 -0.019 0.000 1.485 173 M CA -2.026 53.271 55.300 -0.005 0.000 1.094 173 M CB 0.804 33.406 32.600 0.003 0.000 1.843 173 M HN -0.134 nan 8.290 nan 0.000 0.460 174 P HA -0.090 nan 4.420 nan 0.000 0.226 174 P C -0.217 177.049 177.300 -0.057 0.000 1.153 174 P CA 0.409 63.485 63.100 -0.040 0.000 0.777 174 P CB -0.218 31.460 31.700 -0.036 0.000 0.794 175 L N -0.026 121.137 121.223 -0.100 0.000 3.565 175 L HA -0.176 4.159 4.340 -0.007 0.000 0.574 175 L C 0.948 177.768 176.870 -0.082 0.000 1.024 175 L CA 0.126 54.895 54.840 -0.119 0.000 1.050 175 L CB -1.415 40.638 42.059 -0.010 0.000 1.049 175 L HN 0.171 nan 8.230 nan 0.000 0.689 176 I N -1.257 119.240 120.570 -0.122 0.000 2.934 176 I HA 0.509 4.675 4.170 -0.007 0.000 0.315 176 I C 0.546 176.646 176.117 -0.028 0.000 0.997 176 I CA -0.783 60.479 61.300 -0.064 0.000 1.184 176 I CB 1.286 39.244 38.000 -0.070 0.000 1.400 176 I HN 0.381 nan 8.210 nan 0.000 0.549 177 E N 2.773 122.971 120.200 -0.003 0.000 2.229 177 E HA 0.398 4.743 4.350 -0.007 0.000 0.283 177 E C -1.271 175.348 176.600 0.031 0.000 1.030 177 E CA -0.581 55.833 56.400 0.023 0.000 0.836 177 E CB 1.002 30.711 29.700 0.016 0.000 1.068 177 E HN 0.530 nan 8.360 nan 0.000 0.401 178 L N 3.312 124.574 121.223 0.065 0.000 2.360 178 L HA 0.515 4.850 4.340 -0.007 0.000 0.271 178 L C 0.905 177.800 176.870 0.042 0.000 1.057 178 L CA -0.713 54.173 54.840 0.078 0.000 0.803 178 L CB 1.488 43.629 42.059 0.136 0.000 1.207 178 L HN 0.653 nan 8.230 nan 0.000 0.445 179 G N 0.841 109.657 108.800 0.026 0.000 2.568 179 G HA2 0.505 4.461 3.960 -0.007 0.000 0.293 179 G HA3 0.505 4.461 3.960 -0.007 0.000 0.293 179 G C -2.659 172.235 174.900 -0.011 0.000 1.347 179 G CA -1.338 43.763 45.100 0.002 0.000 1.039 179 G HN 0.347 nan 8.290 nan 0.000 0.523 180 P HA 0.146 nan 4.420 nan 0.000 0.264 180 P C 0.515 177.788 177.300 -0.044 0.000 1.183 180 P CA 0.370 63.452 63.100 -0.030 0.000 0.763 180 P CB 0.339 32.020 31.700 -0.031 0.000 0.807 181 L N -1.052 120.141 121.223 -0.051 0.000 4.759 181 L HA -0.273 4.062 4.340 -0.007 0.000 0.419 181 L C 0.230 177.039 176.870 -0.103 0.000 1.093 181 L CA 0.724 55.524 54.840 -0.066 0.000 1.037 181 L CB -1.173 40.849 42.059 -0.063 0.000 2.095 181 L HN 0.488 nan 8.230 nan 0.000 0.739 182 R N 0.244 120.679 120.500 -0.108 0.000 2.637 182 R HA 0.792 5.127 4.340 -0.007 0.000 0.291 182 R C -0.039 176.183 176.300 -0.130 0.000 0.963 182 R CA 0.319 56.299 56.100 -0.200 0.000 0.901 182 R CB 2.085 32.296 30.300 -0.149 0.000 1.160 182 R HN 0.248 nan 8.270 nan 0.000 0.457 183 S N 1.223 116.812 115.700 -0.186 0.000 2.656 183 S HA 0.827 5.293 4.470 -0.007 0.000 0.273 183 S C -1.140 173.462 174.600 0.003 0.000 1.168 183 S CA -0.924 57.238 58.200 -0.064 0.000 0.817 183 S CB 1.334 64.459 63.200 -0.125 0.000 1.146 183 S HN 0.539 nan 8.310 nan 0.000 0.475 184 F N -1.415 118.464 119.950 -0.118 0.000 2.789 184 F HA 0.893 5.418 4.527 -0.004 0.000 0.319 184 F C -1.969 173.767 175.800 -0.105 0.000 1.168 184 F CA -1.045 56.900 58.000 -0.091 0.000 0.934 184 F CB 1.310 40.342 39.000 0.053 0.000 1.375 184 F HN 0.950 nan 8.300 nan 0.000 0.480 185 K N 1.082 121.508 120.400 0.043 0.000 2.557 185 K HA 0.691 5.007 4.320 -0.007 0.000 0.257 185 K C -2.446 174.125 176.600 -0.049 0.000 0.933 185 K CA -0.890 55.286 56.287 -0.185 0.000 0.820 185 K CB 2.275 34.638 32.500 -0.227 0.000 1.330 185 K HN 0.636 nan 8.250 nan 0.000 0.432 186 V N 2.741 122.532 119.914 -0.204 0.000 2.581 186 V HA 0.590 4.706 4.120 -0.007 0.000 0.303 186 V C -1.034 174.778 176.094 -0.471 0.000 1.041 186 V CA -0.641 61.570 62.300 -0.149 0.000 0.907 186 V CB 0.931 32.785 31.823 0.052 0.000 0.994 186 V HN 0.667 nan 8.190 nan 0.000 0.442 187 F N 2.143 122.109 119.950 0.026 0.000 2.540 187 F HA 0.516 5.039 4.527 -0.007 0.000 0.317 187 F C 0.108 175.913 175.800 0.009 0.000 1.104 187 F CA -0.777 57.238 58.000 0.026 0.000 0.913 187 F CB 1.931 40.950 39.000 0.033 0.000 1.170 187 F HN 0.304 nan 8.300 nan 0.000 0.450 188 K N 5.291 125.815 120.400 0.206 0.000 2.258 188 K HA 0.623 4.939 4.320 -0.007 0.000 0.284 188 K C -0.813 175.869 176.600 0.137 0.000 1.051 188 K CA -0.296 56.068 56.287 0.128 0.000 0.923 188 K CB 0.615 33.169 32.500 0.091 0.000 1.046 188 K HN 0.777 nan 8.250 nan 0.000 0.474 189 I N 0.038 120.672 120.570 0.107 0.000 3.067 189 I HA 0.457 4.623 4.170 -0.007 0.000 0.312 189 I C -0.755 175.411 176.117 0.082 0.000 1.073 189 I CA -1.276 60.086 61.300 0.104 0.000 1.016 189 I CB 1.708 39.781 38.000 0.122 0.000 1.227 189 I HN 0.488 nan 8.210 nan 0.000 0.456 190 K N 4.059 124.501 120.400 0.070 0.000 2.339 190 K HA 0.399 4.715 4.320 -0.007 0.000 0.286 190 K C -2.396 174.235 176.600 0.052 0.000 1.050 190 K CA -1.421 54.897 56.287 0.052 0.000 0.956 190 K CB 0.689 33.212 32.500 0.037 0.000 0.990 190 K HN 0.484 nan 8.250 nan 0.000 0.475 191 P HA 0.120 nan 4.420 nan 0.000 0.287 191 P C -0.952 176.363 177.300 0.026 0.000 1.294 191 P CA -0.285 62.840 63.100 0.042 0.000 0.776 191 P CB 1.026 32.753 31.700 0.045 0.000 0.889 192 E N 3.015 123.223 120.200 0.014 0.000 2.390 192 E HA 0.044 4.390 4.350 -0.007 0.000 0.261 192 E C 0.972 177.570 176.600 -0.002 0.000 1.076 192 E CA -0.266 56.133 56.400 -0.002 0.000 0.905 192 E CB 0.838 30.524 29.700 -0.023 0.000 0.984 192 E HN 0.288 nan 8.360 nan 0.000 0.427 193 K N 1.143 121.537 120.400 -0.010 0.000 2.097 193 K HA -0.074 4.242 4.320 -0.007 0.000 0.206 193 K C 0.652 177.243 176.600 -0.014 0.000 1.049 193 K CA 1.198 57.482 56.287 -0.006 0.000 0.933 193 K CB 0.045 32.538 32.500 -0.012 0.000 0.717 193 K HN 0.254 nan 8.250 nan 0.000 0.442 194 R N 0.603 121.063 120.500 -0.067 0.000 2.407 194 R HA 0.112 4.448 4.340 -0.007 0.000 0.303 194 R C 0.922 177.128 176.300 -0.155 0.000 0.981 194 R CA -0.485 55.529 56.100 -0.144 0.000 0.905 194 R CB 0.653 30.799 30.300 -0.257 0.000 1.099 194 R HN 0.317 nan 8.270 nan 0.000 0.459 195 W N 3.026 124.260 121.300 -0.111 0.000 2.350 195 W HA -0.211 4.444 4.660 -0.008 0.000 0.289 195 W C 0.399 176.783 176.519 -0.224 0.000 1.215 195 W CA 0.751 58.001 57.345 -0.158 0.000 1.236 195 W CB -0.340 29.032 29.460 -0.147 0.000 1.130 195 W HN 0.570 nan 8.180 nan 0.000 0.541 196 Q N 1.155 120.308 119.800 -1.078 0.000 2.124 196 Q HA -0.158 4.178 4.340 -0.007 0.000 0.202 196 Q C 1.834 177.553 176.000 -0.470 0.000 0.977 196 Q CA 2.320 57.444 55.803 -1.131 0.000 0.850 196 Q CB -0.512 27.457 28.738 -1.281 0.000 0.901 196 Q HN 0.257 nan 8.270 nan 0.000 0.429 197 D N -0.265 119.943 120.400 -0.320 0.000 2.234 197 D HA -0.023 4.612 4.640 -0.007 0.000 0.205 197 D C 1.768 177.999 176.300 -0.115 0.000 0.962 197 D CA 0.606 54.511 54.000 -0.158 0.000 0.855 197 D CB 0.136 40.868 40.800 -0.114 0.000 0.951 197 D HN 0.276 nan 8.370 nan 0.000 0.500 198 I N 0.621 121.123 120.570 -0.114 0.000 2.226 198 I HA -0.250 3.916 4.170 -0.007 0.000 0.245 198 I C 2.586 178.604 176.117 -0.166 0.000 1.100 198 I CA 0.779 62.019 61.300 -0.101 0.000 1.374 198 I CB -0.147 37.810 38.000 -0.070 0.000 1.057 198 I HN -0.071 nan 8.210 nan 0.000 0.413 199 S N 0.612 116.227 115.700 -0.141 0.000 2.355 199 S HA -0.149 4.317 4.470 -0.007 0.000 0.222 199 S C 2.114 176.625 174.600 -0.149 0.000 1.031 199 S CA 1.316 59.429 58.200 -0.146 0.000 0.993 199 S CB -0.087 63.092 63.200 -0.035 0.000 0.859 199 S HN 0.273 nan 8.310 nan 0.000 0.453 200 M N 0.217 119.762 119.600 -0.093 0.000 2.200 200 M HA 0.032 4.508 4.480 -0.007 0.000 0.265 200 M C 2.107 178.404 176.300 -0.004 0.000 1.066 200 M CA 0.942 56.232 55.300 -0.017 0.000 1.127 200 M CB -0.314 32.300 32.600 0.025 0.000 1.379 200 M HN 0.310 nan 8.290 nan 0.000 0.420 201 M N 0.036 119.600 119.600 -0.061 0.000 2.446 201 M HA -0.138 4.338 4.480 -0.007 0.000 0.263 201 M C 1.914 178.014 176.300 -0.333 0.000 1.066 201 M CA 1.510 56.716 55.300 -0.157 0.000 1.087 201 M CB -1.000 31.535 32.600 -0.109 0.000 1.406 201 M HN 0.260 nan 8.290 nan 0.000 0.459 202 R N -0.637 119.597 120.500 -0.443 0.000 2.117 202 R HA -0.168 4.168 4.340 -0.007 0.000 0.243 202 R C 2.123 178.222 176.300 -0.335 0.000 1.143 202 R CA 1.238 56.898 56.100 -0.735 0.000 0.968 202 R CB -0.266 29.423 30.300 -1.018 0.000 0.863 202 R HN 0.318 nan 8.270 nan 0.000 0.444 203 M N 0.784 120.239 119.600 -0.242 0.000 2.080 203 M HA -0.198 4.277 4.480 -0.007 0.000 0.260 203 M C 2.206 178.329 176.300 -0.296 0.000 1.068 203 M CA 1.671 56.873 55.300 -0.163 0.000 1.109 203 M CB -0.840 31.730 32.600 -0.049 0.000 1.342 203 M HN 0.087 nan 8.290 nan 0.000 0.405 204 K N -0.313 119.675 120.400 -0.687 0.000 2.026 204 K HA -0.126 4.189 4.320 -0.007 0.000 0.208 204 K C 1.862 178.241 176.600 -0.369 0.000 1.048 204 K CA 1.866 57.661 56.287 -0.821 0.000 0.929 204 K CB -0.018 31.557 32.500 -1.541 0.000 0.713 204 K HN 0.249 nan 8.250 nan 0.000 0.439 205 T N 1.729 116.144 114.554 -0.231 0.000 2.746 205 T HA -0.112 4.233 4.350 -0.007 0.000 0.267 205 T C 1.871 176.639 174.700 0.114 0.000 1.039 205 T CA 1.536 63.648 62.100 0.019 0.000 1.142 205 T CB -0.167 68.847 68.868 0.242 0.000 0.866 205 T HN 0.198 nan 8.240 nan 0.000 0.444 206 I N 1.183 121.810 120.570 0.096 0.000 2.226 206 I HA -0.131 4.034 4.170 -0.007 0.000 0.245 206 I C 2.900 178.987 176.117 -0.049 0.000 1.100 206 I CA 1.342 62.675 61.300 0.055 0.000 1.374 206 I CB -0.736 37.309 38.000 0.075 0.000 1.057 206 I HN 0.321 nan 8.210 nan 0.000 0.413 207 G N 0.378 109.126 108.800 -0.087 0.000 2.418 207 G HA2 -0.229 3.726 3.960 -0.007 0.000 0.217 207 G HA3 -0.229 3.726 3.960 -0.007 0.000 0.217 207 G C 1.490 176.301 174.900 -0.148 0.000 1.158 207 G CA 0.649 45.678 45.100 -0.119 0.000 0.771 207 G HN 0.434 nan 8.290 nan 0.000 0.545 208 E N -0.155 119.948 120.200 -0.162 0.000 2.051 208 E HA -0.141 4.205 4.350 -0.007 0.000 0.192 208 E C 2.259 178.673 176.600 -0.310 0.000 0.991 208 E CA 0.946 57.212 56.400 -0.223 0.000 0.799 208 E CB -0.268 29.278 29.700 -0.256 0.000 0.748 208 E HN 0.502 nan 8.360 nan 0.000 0.449 209 H N 0.307 119.198 119.070 -0.297 0.000 2.423 209 H HA -0.032 4.519 4.556 -0.008 0.000 0.297 209 H C 2.281 177.226 175.328 -0.639 0.000 1.075 209 H CA 0.923 56.681 56.048 -0.484 0.000 1.342 209 H CB 0.049 29.477 29.762 -0.557 0.000 1.395 209 H HN 0.186 nan 8.280 nan 0.000 0.530 210 I N 0.149 120.516 120.570 -0.339 0.000 2.179 210 I HA -0.232 3.933 4.170 -0.007 0.000 0.242 210 I C 2.472 178.400 176.117 -0.316 0.000 1.088 210 I CA 0.777 61.872 61.300 -0.341 0.000 1.357 210 I CB -0.155 37.709 38.000 -0.226 0.000 1.051 210 I HN 0.010 nan 8.210 nan 0.000 0.409 211 V N 0.982 120.752 119.914 -0.239 0.000 2.307 211 V HA -0.262 3.854 4.120 -0.007 0.000 0.245 211 V C 2.693 178.701 176.094 -0.143 0.000 1.045 211 V CA 1.988 64.178 62.300 -0.183 0.000 1.024 211 V CB -0.971 30.775 31.823 -0.129 0.000 0.651 211 V HN 0.480 nan 8.190 nan 0.000 0.449 212 A N 0.171 122.907 122.820 -0.140 0.000 1.902 212 A HA -0.202 4.114 4.320 -0.007 0.000 0.217 212 A C 1.917 179.590 177.584 0.149 0.000 1.181 212 A CA 2.597 54.631 52.037 -0.006 0.000 0.623 212 A CB -0.392 18.596 19.000 -0.020 0.000 0.818 212 A HN 0.973 nan 8.150 nan 0.000 0.443 213 H N -5.347 113.709 119.070 -0.024 0.000 2.950 213 H HA 0.298 4.851 4.556 -0.006 0.000 0.202 213 H C 1.441 176.767 175.328 -0.004 0.000 0.893 213 H CA 0.139 56.234 56.048 0.078 0.000 0.931 213 H CB -0.421 29.423 29.762 0.137 0.000 1.158 213 H HN 0.162 nan 8.280 nan 0.000 0.545 214 I N 2.473 122.680 120.570 -0.606 0.000 2.248 214 I HA -0.306 3.860 4.170 -0.007 0.000 0.248 214 I C 2.586 178.582 176.117 -0.203 0.000 1.107 214 I CA 2.232 63.313 61.300 -0.364 0.000 1.373 214 I CB -0.421 37.229 38.000 -0.583 0.000 1.055 214 I HN 0.536 nan 8.210 nan 0.000 0.418 215 Q N 0.457 120.060 119.800 -0.329 0.000 2.234 215 Q HA -0.223 4.113 4.340 -0.007 0.000 0.206 215 Q C 1.534 177.363 176.000 -0.286 0.000 0.980 215 Q CA 1.566 57.164 55.803 -0.342 0.000 0.869 215 Q CB -0.393 28.068 28.738 -0.462 0.000 0.912 215 Q HN 0.598 nan 8.270 nan 0.000 0.436 216 H N 0.083 119.151 119.070 -0.003 0.000 2.553 216 H HA 0.195 4.747 4.556 -0.006 0.000 0.265 216 H C 0.650 176.011 175.328 0.055 0.000 0.964 216 H CA 0.780 56.843 56.048 0.024 0.000 1.156 216 H CB 0.560 30.346 29.762 0.040 0.000 1.411 216 H HN 0.593 nan 8.280 nan 0.000 0.558 217 E N 0.614 120.912 120.200 0.164 0.000 2.372 217 E HA 0.115 4.460 4.350 -0.007 0.000 0.201 217 E C 0.580 177.263 176.600 0.139 0.000 0.938 217 E CA 0.143 56.654 56.400 0.184 0.000 0.944 217 E CB 1.318 31.199 29.700 0.302 0.000 0.937 217 E HN 0.128 nan 8.360 nan 0.000 0.495 218 V N -1.968 118.006 119.914 0.101 0.000 3.130 218 V HA 0.348 4.463 4.120 -0.007 0.000 0.310 218 V C -0.318 175.758 176.094 -0.029 0.000 1.158 218 V CA -0.854 61.491 62.300 0.075 0.000 1.029 218 V CB 2.289 34.202 31.823 0.150 0.000 1.057 218 V HN -0.161 nan 8.190 nan 0.000 0.436 219 D N 0.305 120.666 120.400 -0.066 0.000 2.277 219 D HA 0.245 4.881 4.640 -0.007 0.000 0.209 219 D C -0.354 175.536 176.300 -0.683 0.000 0.970 219 D CA 1.494 55.306 54.000 -0.313 0.000 0.874 219 D CB 0.609 41.283 40.800 -0.210 0.000 0.982 219 D HN 0.501 nan 8.370 nan 0.000 0.504 220 F N 0.087 120.017 119.950 -0.034 0.000 2.599 220 F HA 0.458 4.980 4.527 -0.007 0.000 0.311 220 F C -0.657 175.141 175.800 -0.005 0.000 1.076 220 F CA -1.159 56.801 58.000 -0.066 0.000 0.937 220 F CB 2.262 41.189 39.000 -0.123 0.000 1.282 220 F HN -0.329 nan 8.300 nan 0.000 0.460 221 L N 1.996 123.285 121.223 0.109 0.000 2.445 221 L HA 0.723 5.058 4.340 -0.007 0.000 0.262 221 L C -2.103 174.724 176.870 -0.072 0.000 0.974 221 L CA -0.440 54.463 54.840 0.105 0.000 0.822 221 L CB 1.721 43.805 42.059 0.043 0.000 1.339 221 L HN 0.469 nan 8.230 nan 0.000 0.409 222 F N 2.787 122.831 119.950 0.157 0.000 2.532 222 F HA 0.638 5.160 4.527 -0.008 0.000 0.321 222 F C -0.421 175.304 175.800 -0.126 0.000 1.089 222 F CA -0.325 57.698 58.000 0.039 0.000 0.926 222 F CB 1.968 41.054 39.000 0.143 0.000 1.168 222 F HN 0.429 nan 8.300 nan 0.000 0.459 223 C N 4.792 123.965 119.300 -0.211 0.000 2.301 223 C HA 0.768 5.224 4.460 -0.007 0.000 0.323 223 C C -0.212 174.565 174.990 -0.356 0.000 1.265 223 C CA -1.000 57.772 59.018 -0.410 0.000 1.503 223 C CB -0.126 27.044 27.740 -0.951 0.000 2.195 223 C HN 0.709 nan 8.230 nan 0.000 0.477 224 M N 1.572 121.074 119.600 -0.163 0.000 2.619 224 M HA 0.394 4.870 4.480 -0.007 0.000 0.297 224 M C -1.005 175.167 176.300 -0.214 0.000 1.229 224 M CA -0.481 54.726 55.300 -0.155 0.000 0.860 224 M CB 1.693 34.250 32.600 -0.072 0.000 1.741 224 M HN 0.496 nan 8.290 nan 0.000 0.462 225 D N 0.740 121.005 120.400 -0.224 0.000 2.362 225 D HA 0.095 4.731 4.640 -0.007 0.000 0.242 225 D C 0.417 176.479 176.300 -0.398 0.000 1.132 225 D CA -0.017 53.839 54.000 -0.240 0.000 0.907 225 D CB 1.681 42.343 40.800 -0.230 0.000 1.195 225 D HN 0.327 nan 8.370 nan 0.000 0.429 226 V N 1.313 121.021 119.914 -0.344 0.000 3.052 226 V HA -0.069 4.046 4.120 -0.007 0.000 0.254 226 V C 0.438 176.411 176.094 -0.202 0.000 1.100 226 V CA 0.695 62.726 62.300 -0.448 0.000 1.112 226 V CB -0.196 31.526 31.823 -0.168 0.000 0.738 226 V HN 0.564 nan 8.190 nan 0.000 0.469 227 D N 1.936 122.172 120.400 -0.272 0.000 3.032 227 D HA 0.071 4.707 4.640 -0.007 0.000 0.241 227 D C 0.225 176.351 176.300 -0.291 0.000 1.196 227 D CA -0.082 53.558 54.000 -0.600 0.000 0.927 227 D CB -0.220 40.120 40.800 -0.766 0.000 1.129 227 D HN 0.782 nan 8.370 nan 0.000 0.458 228 Q N -1.841 117.926 119.800 -0.054 0.000 2.630 228 Q HA 0.614 4.949 4.340 -0.007 0.000 0.295 228 Q C -1.832 174.268 176.000 0.166 0.000 0.944 228 Q CA -1.181 54.658 55.803 0.061 0.000 0.766 228 Q CB 1.568 30.308 28.738 0.003 0.000 1.471 228 Q HN -0.046 nan 8.270 nan 0.000 0.416 229 V N 1.149 121.129 119.914 0.110 0.000 2.686 229 V HA 0.455 4.570 4.120 -0.007 0.000 0.306 229 V C -1.014 175.106 176.094 0.043 0.000 1.065 229 V CA -0.708 61.657 62.300 0.109 0.000 0.894 229 V CB 1.624 33.550 31.823 0.173 0.000 1.004 229 V HN 0.692 nan 8.190 nan 0.000 0.424 230 F N 3.071 123.032 119.950 0.020 0.000 2.529 230 F HA 0.259 4.782 4.527 -0.007 0.000 0.365 230 F C 1.485 177.322 175.800 0.062 0.000 1.102 230 F CA 0.364 58.396 58.000 0.054 0.000 1.271 230 F CB 0.878 39.924 39.000 0.077 0.000 1.120 230 F HN 0.495 nan 8.300 nan 0.000 0.579 231 Q N 0.767 120.611 119.800 0.074 0.000 2.353 231 Q HA 0.169 4.504 4.340 -0.007 0.000 0.240 231 Q C -0.102 175.641 176.000 -0.429 0.000 0.868 231 Q CA 0.533 56.309 55.803 -0.044 0.000 0.944 231 Q CB 0.865 29.650 28.738 0.079 0.000 1.104 231 Q HN 0.656 nan 8.270 nan 0.000 0.531 232 D N -0.494 119.558 120.400 -0.579 0.000 2.692 232 D HA 0.144 4.779 4.640 -0.007 0.000 0.303 232 D C -0.864 175.292 176.300 -0.239 0.000 1.278 232 D CA -0.512 53.155 54.000 -0.554 0.000 0.852 232 D CB 1.446 42.147 40.800 -0.165 0.000 1.375 232 D HN -0.322 nan 8.370 nan 0.000 0.453 233 K N 1.013 121.438 120.400 0.042 0.000 2.466 233 K HA 0.024 4.340 4.320 -0.007 0.000 0.278 233 K C -0.245 176.472 176.600 0.195 0.000 1.048 233 K CA 0.432 56.829 56.287 0.184 0.000 1.088 233 K CB -0.356 32.242 32.500 0.163 0.000 0.884 233 K HN 0.313 nan 8.250 nan 0.000 0.478 234 F N 2.678 122.715 119.950 0.144 0.000 2.453 234 F HA 0.308 4.831 4.527 -0.007 0.000 0.358 234 F C 0.673 176.478 175.800 0.007 0.000 1.129 234 F CA -0.527 57.599 58.000 0.209 0.000 1.200 234 F CB 0.575 39.864 39.000 0.482 0.000 1.431 234 F HN 0.573 nan 8.300 nan 0.000 0.503 235 G N 1.259 110.098 108.800 0.066 0.000 2.702 235 G HA2 0.281 4.236 3.960 -0.007 0.000 0.254 235 G HA3 0.281 4.236 3.960 -0.007 0.000 0.254 235 G C 0.934 175.718 174.900 -0.192 0.000 1.380 235 G CA -0.057 45.004 45.100 -0.065 0.000 1.042 235 G HN 0.500 nan 8.290 nan 0.000 0.557 236 V N -0.677 119.099 119.914 -0.231 0.000 2.828 236 V HA -0.104 4.012 4.120 -0.007 0.000 0.260 236 V C 2.253 178.121 176.094 -0.377 0.000 1.101 236 V CA 2.352 64.431 62.300 -0.368 0.000 1.123 236 V CB -0.735 30.906 31.823 -0.304 0.000 0.704 236 V HN 0.732 nan 8.190 nan 0.000 0.493 237 E N 2.670 122.654 120.200 -0.361 0.000 2.401 237 E HA -0.208 4.138 4.350 -0.007 0.000 0.199 237 E C 1.844 178.145 176.600 -0.499 0.000 1.023 237 E CA 1.726 57.836 56.400 -0.482 0.000 0.859 237 E CB -0.877 28.528 29.700 -0.492 0.000 0.780 237 E HN 0.830 nan 8.360 nan 0.000 0.523 238 T N -1.272 113.031 114.554 -0.419 0.000 3.081 238 T HA 0.231 4.576 4.350 -0.007 0.000 0.250 238 T C 1.178 175.812 174.700 -0.109 0.000 1.100 238 T CA -0.358 61.557 62.100 -0.310 0.000 1.038 238 T CB -0.234 68.445 68.868 -0.314 0.000 0.962 238 T HN 0.010 nan 8.240 nan 0.000 0.516 239 L N 1.576 122.602 121.223 -0.328 0.000 2.439 239 L HA 0.613 4.949 4.340 -0.007 0.000 0.269 239 L C 0.999 177.598 176.870 -0.452 0.000 1.179 239 L CA 0.163 54.656 54.840 -0.579 0.000 0.828 239 L CB 0.407 41.714 42.059 -1.253 0.000 1.106 239 L HN 0.515 nan 8.230 nan 0.000 0.467 240 G N 0.784 109.389 108.800 -0.324 0.000 2.328 240 G HA2 0.110 4.066 3.960 -0.007 0.000 0.295 240 G HA3 0.110 4.066 3.960 -0.007 0.000 0.295 240 G C -0.115 174.924 174.900 0.231 0.000 1.413 240 G CA -0.501 44.605 45.100 0.010 0.000 0.817 240 G HN 0.434 nan 8.290 nan 0.000 0.546 241 E N -0.338 119.991 120.200 0.214 0.000 2.038 241 E HA -0.062 4.283 4.350 -0.007 0.000 0.195 241 E C 1.329 178.011 176.600 0.136 0.000 1.000 241 E CA 1.978 58.486 56.400 0.180 0.000 0.803 241 E CB -0.188 29.596 29.700 0.140 0.000 0.750 241 E HN 0.727 nan 8.360 nan 0.000 0.448 242 S N -0.254 115.517 115.700 0.117 0.000 2.677 242 S HA 0.515 4.981 4.470 -0.007 0.000 0.283 242 S C -0.556 174.069 174.600 0.042 0.000 1.159 242 S CA -0.969 57.311 58.200 0.133 0.000 1.001 242 S CB 1.974 65.308 63.200 0.224 0.000 1.032 242 S HN -0.096 nan 8.310 nan 0.000 0.487 243 V N 2.248 122.183 119.914 0.035 0.000 2.417 243 V HA 0.890 5.005 4.120 -0.007 0.000 0.291 243 V C 0.354 176.442 176.094 -0.010 0.000 1.024 243 V CA -0.440 61.854 62.300 -0.010 0.000 0.861 243 V CB 1.146 33.001 31.823 0.054 0.000 0.985 243 V HN 1.207 nan 8.190 nan 0.000 0.436 244 A N 3.800 126.470 122.820 -0.251 0.000 2.354 244 A HA 0.897 5.213 4.320 -0.007 0.000 0.321 244 A C -0.770 176.820 177.584 0.011 0.000 1.125 244 A CA -0.725 51.120 52.037 -0.319 0.000 0.799 244 A CB 1.891 20.100 19.000 -1.319 0.000 1.293 244 A HN 0.752 nan 8.150 nan 0.000 0.452 245 Q N 0.869 120.801 119.800 0.221 0.000 2.331 245 Q HA 0.600 4.935 4.340 -0.007 0.000 0.267 245 Q C -1.603 174.615 176.000 0.363 0.000 1.006 245 Q CA -0.203 55.762 55.803 0.270 0.000 0.818 245 Q CB 1.122 30.057 28.738 0.328 0.000 1.276 245 Q HN 0.648 nan 8.270 nan 0.000 0.450 246 L N 3.612 124.975 121.223 0.232 0.000 2.410 246 L HA 0.215 4.550 4.340 -0.007 0.000 0.273 246 L C 0.549 177.627 176.870 0.348 0.000 1.144 246 L CA -0.265 54.716 54.840 0.236 0.000 0.863 246 L CB 0.918 43.043 42.059 0.111 0.000 1.140 246 L HN 0.607 nan 8.230 nan 0.000 0.463 247 Q N 2.036 122.088 119.800 0.420 0.000 2.311 247 Q HA 0.044 4.380 4.340 -0.007 0.000 0.272 247 Q C 0.823 177.110 176.000 0.478 0.000 1.012 247 Q CA 0.276 56.365 55.803 0.477 0.000 0.891 247 Q CB 1.665 30.753 28.738 0.583 0.000 1.201 247 Q HN 0.837 nan 8.270 nan 0.000 0.391 248 A N 4.210 127.278 122.820 0.413 0.000 1.986 248 A HA -0.197 4.119 4.320 -0.007 0.000 0.220 248 A C 1.241 178.846 177.584 0.034 0.000 1.171 248 A CA 1.395 53.534 52.037 0.169 0.000 0.640 248 A CB -0.528 18.233 19.000 -0.398 0.000 0.811 248 A HN 0.896 nan 8.150 nan 0.000 0.451 249 W N -2.604 118.640 121.300 -0.092 0.000 2.658 249 W HA 0.154 4.809 4.660 -0.007 0.000 0.263 249 W C 1.125 177.307 176.519 -0.561 0.000 1.274 249 W CA 0.069 57.156 57.345 -0.431 0.000 1.343 249 W CB -0.265 28.767 29.460 -0.714 0.000 1.106 249 W HN 0.509 nan 8.180 nan 0.000 0.615 250 W N -1.285 120.218 121.300 0.339 0.000 2.862 250 W HA 0.169 4.825 4.660 -0.007 0.000 0.376 250 W C 1.644 178.357 176.519 0.323 0.000 1.028 250 W CA -0.715 56.790 57.345 0.267 0.000 1.757 250 W CB -1.188 28.364 29.460 0.153 0.000 1.128 250 W HN -0.011 nan 8.180 nan 0.000 0.566 251 Y N 0.580 121.131 120.300 0.418 0.000 2.384 251 Y HA -0.047 4.499 4.550 -0.007 0.000 0.289 251 Y C 1.484 177.652 175.900 0.446 0.000 1.152 251 Y CA 1.416 59.771 58.100 0.425 0.000 1.258 251 Y CB -0.445 38.235 38.460 0.367 0.000 0.979 251 Y HN -0.114 nan 8.280 nan 0.000 0.549 252 K N 0.607 120.900 120.400 -0.180 0.000 2.387 252 K HA 0.461 4.777 4.320 -0.007 0.000 0.203 252 K C 0.443 177.087 176.600 0.074 0.000 1.030 252 K CA 0.174 56.390 56.287 -0.117 0.000 1.099 252 K CB 0.553 32.808 32.500 -0.407 0.000 0.863 252 K HN 0.318 nan 8.250 nan 0.000 0.529 253 A N 1.240 124.216 122.820 0.261 0.000 2.272 253 A HA 0.209 4.524 4.320 -0.007 0.000 0.275 253 A C -0.339 177.288 177.584 0.072 0.000 1.096 253 A CA -0.415 51.777 52.037 0.259 0.000 0.822 253 A CB 0.401 19.736 19.000 0.559 0.000 1.088 253 A HN 0.054 nan 8.150 nan 0.000 0.495 254 D N 0.464 120.779 120.400 -0.141 0.000 2.283 254 D HA 0.288 4.924 4.640 -0.007 0.000 0.248 254 D C -1.676 174.070 176.300 -0.923 0.000 1.072 254 D CA -1.251 52.542 54.000 -0.345 0.000 0.929 254 D CB 0.940 41.626 40.800 -0.190 0.000 1.182 254 D HN 0.133 nan 8.370 nan 0.000 0.433 255 P HA -0.152 nan 4.420 nan 0.000 0.217 255 P C 0.762 177.611 177.300 -0.753 0.000 1.151 255 P CA 1.143 63.501 63.100 -1.236 0.000 0.849 255 P CB 0.287 31.762 31.700 -0.375 0.000 0.787 256 N N -1.023 117.470 118.700 -0.344 0.000 2.573 256 N HA -0.087 4.648 4.740 -0.007 0.000 0.187 256 N C 0.851 176.328 175.510 -0.055 0.000 1.107 256 N CA 0.924 53.958 53.050 -0.028 0.000 0.918 256 N CB -0.501 38.026 38.487 0.066 0.000 0.966 256 N HN 0.247 nan 8.380 nan 0.000 0.448 257 D N -0.715 119.527 120.400 -0.264 0.000 2.379 257 D HA 0.069 4.705 4.640 -0.007 0.000 0.208 257 D C 0.132 176.177 176.300 -0.425 0.000 1.065 257 D CA -0.116 53.786 54.000 -0.164 0.000 0.848 257 D CB 0.344 41.171 40.800 0.044 0.000 0.949 257 D HN 0.194 nan 8.370 nan 0.000 0.509 258 F N 1.887 121.458 119.950 -0.631 0.000 2.572 258 F HA -0.016 4.507 4.527 -0.007 0.000 0.370 258 F C 1.688 176.838 175.800 -1.083 0.000 1.103 258 F CA -0.192 57.151 58.000 -1.095 0.000 1.286 258 F CB 0.674 38.958 39.000 -1.195 0.000 1.105 258 F HN -0.200 nan 8.300 nan 0.000 0.583 259 T N 1.270 115.087 114.554 -1.228 0.000 3.820 259 T HA 0.171 4.516 4.350 -0.007 0.000 0.224 259 T C -0.186 174.363 174.700 -0.251 0.000 0.869 259 T CA -0.300 61.337 62.100 -0.772 0.000 0.932 259 T CB -1.241 66.990 68.868 -1.062 0.000 1.259 259 T HN 0.358 nan 8.240 nan 0.000 0.676 260 Y N 0.705 120.959 120.300 -0.078 0.000 2.330 260 Y HA 0.281 4.827 4.550 -0.007 0.000 0.341 260 Y C 1.126 177.033 175.900 0.012 0.000 1.278 260 Y CA -1.432 56.689 58.100 0.035 0.000 1.453 260 Y CB 0.560 38.984 38.460 -0.059 0.000 1.342 260 Y HN 0.272 nan 8.280 nan 0.000 0.590 261 E N 1.494 121.807 120.200 0.190 0.000 2.324 261 E HA 0.028 4.374 4.350 -0.007 0.000 0.271 261 E C -0.055 176.612 176.600 0.112 0.000 1.028 261 E CA -0.054 56.413 56.400 0.112 0.000 0.890 261 E CB 0.548 30.258 29.700 0.018 0.000 1.004 261 E HN 0.392 nan 8.360 nan 0.000 0.431 262 R N 3.818 124.394 120.500 0.127 0.000 2.397 262 R HA 0.192 4.527 4.340 -0.007 0.000 0.241 262 R C -0.073 176.404 176.300 0.296 0.000 0.914 262 R CA -0.025 56.185 56.100 0.184 0.000 1.071 262 R CB 0.078 30.420 30.300 0.071 0.000 1.116 262 R HN 0.399 nan 8.270 nan 0.000 0.524 263 R N 2.009 122.595 120.500 0.144 0.000 2.216 263 R HA 0.095 4.431 4.340 -0.007 0.000 0.332 263 R C 1.275 177.391 176.300 -0.306 0.000 1.056 263 R CA -0.101 55.964 56.100 -0.058 0.000 0.901 263 R CB 0.863 31.137 30.300 -0.044 0.000 1.039 263 R HN 0.107 nan 8.270 nan 0.000 0.456 264 K N 1.659 121.594 120.400 -0.775 0.000 2.360 264 K HA -0.190 4.125 4.320 -0.007 0.000 0.201 264 K C 0.355 176.709 176.600 -0.411 0.000 1.046 264 K CA 1.421 57.052 56.287 -1.093 0.000 0.940 264 K CB 0.185 32.142 32.500 -0.904 0.000 0.748 264 K HN 0.387 nan 8.250 nan 0.000 0.465 265 E N 1.334 121.387 120.200 -0.246 0.000 2.347 265 E HA -0.008 4.338 4.350 -0.007 0.000 0.196 265 E C 0.485 177.034 176.600 -0.085 0.000 1.008 265 E CA 0.440 56.760 56.400 -0.134 0.000 0.852 265 E CB 0.200 29.840 29.700 -0.100 0.000 0.783 265 E HN 0.283 nan 8.360 nan 0.000 0.505 266 S N -0.756 114.901 115.700 -0.072 0.000 2.585 266 S HA 0.495 4.961 4.470 -0.007 0.000 0.277 266 S C 1.074 175.678 174.600 0.007 0.000 1.241 266 S CA -0.098 58.085 58.200 -0.029 0.000 1.041 266 S CB 1.360 64.534 63.200 -0.044 0.000 0.987 266 S HN 0.163 nan 8.310 nan 0.000 0.512 267 A N 3.600 126.438 122.820 0.029 0.000 2.121 267 A HA 0.220 4.536 4.320 -0.007 0.000 0.218 267 A C 1.887 179.476 177.584 0.009 0.000 1.154 267 A CA 1.388 53.456 52.037 0.052 0.000 0.679 267 A CB -0.777 18.288 19.000 0.107 0.000 0.795 267 A HN 1.135 nan 8.150 nan 0.000 0.458 268 A N -1.750 120.989 122.820 -0.134 0.000 2.251 268 A HA 0.305 4.620 4.320 -0.007 0.000 0.209 268 A C 0.616 178.130 177.584 -0.116 0.000 1.187 268 A CA -0.432 51.452 52.037 -0.256 0.000 0.823 268 A CB -0.558 18.053 19.000 -0.648 0.000 0.846 268 A HN 0.500 nan 8.150 nan 0.000 0.486 269 Y N 0.879 121.086 120.300 -0.154 0.000 2.810 269 Y HA 0.271 4.816 4.550 -0.007 0.000 0.332 269 Y C -0.280 175.531 175.900 -0.148 0.000 1.243 269 Y CA -0.001 58.024 58.100 -0.126 0.000 1.537 269 Y CB -0.024 38.383 38.460 -0.087 0.000 1.265 269 Y HN 0.219 nan 8.280 nan 0.000 0.572 270 I N 9.774 129.896 120.570 -0.747 0.000 2.468 270 I HA 0.255 4.421 4.170 -0.007 0.000 0.284 270 I C -2.357 173.214 176.117 -0.909 0.000 1.038 270 I CA -2.187 58.649 61.300 -0.773 0.000 1.083 270 I CB 1.995 39.590 38.000 -0.675 0.000 1.223 270 I HN 0.509 nan 8.210 nan 0.000 0.443 271 P HA 0.096 nan 4.420 nan 0.000 0.271 271 P C -0.511 176.658 177.300 -0.218 0.000 1.218 271 P CA -0.014 62.778 63.100 -0.514 0.000 0.780 271 P CB 0.524 32.088 31.700 -0.228 0.000 0.901 272 F N 0.711 120.656 119.950 -0.008 0.000 2.563 272 F HA 0.292 4.815 4.527 -0.007 0.000 0.363 272 F C 2.040 177.838 175.800 -0.004 0.000 1.123 272 F CA 2.041 60.047 58.000 0.009 0.000 1.307 272 F CB -0.319 38.689 39.000 0.012 0.000 1.115 272 F HN 0.703 nan 8.300 nan 0.000 0.592 273 G N 1.141 110.040 108.800 0.165 0.000 2.176 273 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.232 273 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.232 273 G C -0.222 174.708 174.900 0.050 0.000 0.986 273 G CA -0.252 44.900 45.100 0.087 0.000 0.643 273 G HN 0.591 nan 8.290 nan 0.000 0.522 274 E N -0.745 119.484 120.200 0.048 0.000 2.369 274 E HA 0.626 4.971 4.350 -0.007 0.000 0.270 274 E C 0.118 176.802 176.600 0.141 0.000 0.909 274 E CA -0.407 56.016 56.400 0.038 0.000 0.775 274 E CB 2.358 32.030 29.700 -0.046 0.000 1.270 274 E HN 1.536 nan 8.360 nan 0.000 0.445 275 G N 1.474 110.363 108.800 0.150 0.000 2.697 275 G HA2 -0.091 3.865 3.960 -0.007 0.000 0.684 275 G HA3 -0.091 3.865 3.960 -0.007 0.000 0.684 275 G C -0.617 174.460 174.900 0.295 0.000 1.274 275 G CA -0.629 44.667 45.100 0.327 0.000 0.806 275 G HN 0.531 nan 8.290 nan 0.000 0.644 276 D N -0.158 120.436 120.400 0.323 0.000 2.566 276 D HA 0.303 4.939 4.640 -0.007 0.000 0.253 276 D C 0.614 176.800 176.300 -0.189 0.000 0.992 276 D CA 1.303 55.384 54.000 0.137 0.000 0.940 276 D CB 0.392 41.505 40.800 0.523 0.000 1.095 276 D HN 0.311 nan 8.370 nan 0.000 0.480 277 F N -1.237 118.846 119.950 0.222 0.000 2.715 277 F HA 0.330 4.853 4.527 -0.007 0.000 0.318 277 F C -1.068 174.252 175.800 -0.799 0.000 1.141 277 F CA -1.311 56.562 58.000 -0.212 0.000 0.950 277 F CB 1.534 40.332 39.000 -0.337 0.000 1.374 277 F HN -0.300 nan 8.300 nan 0.000 0.477 278 Y N 1.680 121.381 120.300 -1.000 0.000 2.369 278 Y HA 0.513 5.058 4.550 -0.007 0.000 0.337 278 Y C -1.264 174.449 175.900 -0.311 0.000 0.961 278 Y CA -0.975 56.662 58.100 -0.772 0.000 1.186 278 Y CB 0.346 38.194 38.460 -1.021 0.000 1.139 278 Y HN 0.402 nan 8.280 nan 0.000 0.494 279 Y N 4.231 124.388 120.300 -0.238 0.000 2.299 279 Y HA 0.210 4.756 4.550 -0.007 0.000 0.326 279 Y C 0.336 176.239 175.900 0.006 0.000 1.164 279 Y CA -0.480 57.624 58.100 0.008 0.000 1.234 279 Y CB 0.617 39.184 38.460 0.178 0.000 1.219 279 Y HN 0.572 nan 8.280 nan 0.000 0.497 280 H N 1.447 120.687 119.070 0.284 0.000 2.580 280 H HA 0.374 4.926 4.556 -0.007 0.000 0.322 280 H C 0.270 175.749 175.328 0.252 0.000 1.082 280 H CA -0.257 55.947 56.048 0.260 0.000 1.383 280 H CB 1.323 31.268 29.762 0.305 0.000 1.450 280 H HN 0.973 nan 8.280 nan 0.000 0.505 281 A N 4.102 127.123 122.820 0.334 0.000 2.206 281 A HA 0.036 4.351 4.320 -0.007 0.000 0.211 281 A C 2.115 179.766 177.584 0.112 0.000 1.158 281 A CA 0.846 53.019 52.037 0.226 0.000 0.761 281 A CB -0.352 18.760 19.000 0.187 0.000 0.801 281 A HN 0.801 nan 8.150 nan 0.000 0.473 282 A N -0.446 122.196 122.820 -0.296 0.000 2.121 282 A HA 0.324 4.640 4.320 -0.007 0.000 0.218 282 A C 0.751 178.242 177.584 -0.156 0.000 1.154 282 A CA 0.781 52.571 52.037 -0.411 0.000 0.679 282 A CB -0.230 18.182 19.000 -0.980 0.000 0.795 282 A HN 0.457 nan 8.150 nan 0.000 0.458 283 I N -0.796 119.796 120.570 0.036 0.000 2.649 283 I HA 0.496 4.662 4.170 -0.007 0.000 0.289 283 I C -1.272 175.094 176.117 0.415 0.000 1.222 283 I CA -0.705 60.692 61.300 0.163 0.000 1.046 283 I CB 2.250 40.363 38.000 0.188 0.000 1.272 283 I HN 0.288 nan 8.210 nan 0.000 0.425 284 F N 3.584 123.724 119.950 0.317 0.000 2.703 284 F HA 0.948 5.471 4.527 -0.007 0.000 0.308 284 F C -0.374 175.557 175.800 0.218 0.000 1.126 284 F CA -0.532 57.649 58.000 0.301 0.000 0.959 284 F CB 1.364 40.516 39.000 0.253 0.000 1.297 284 F HN 0.583 nan 8.300 nan 0.000 0.441 285 G N -0.341 108.576 108.800 0.194 0.000 2.570 285 G HA2 0.836 4.792 3.960 -0.007 0.000 0.310 285 G HA3 0.836 4.792 3.960 -0.007 0.000 0.310 285 G C -0.730 174.082 174.900 -0.147 0.000 1.266 285 G CA -0.157 44.782 45.100 -0.269 0.000 0.825 285 G HN 2.191 nan 8.290 nan 0.000 0.483 286 G N -1.771 106.889 108.800 -0.233 0.000 2.339 286 G HA2 0.567 4.523 3.960 -0.007 0.000 0.275 286 G HA3 0.567 4.523 3.960 -0.007 0.000 0.275 286 G C -0.000 174.931 174.900 0.051 0.000 1.323 286 G CA 0.885 45.985 45.100 0.000 0.000 0.927 286 G HN 1.949 nan 8.290 nan 0.000 0.486 287 T N -0.541 114.025 114.554 0.020 0.000 2.860 287 T HA 0.525 4.871 4.350 -0.007 0.000 0.299 287 T C -1.330 173.304 174.700 -0.110 0.000 1.045 287 T CA -0.405 61.598 62.100 -0.162 0.000 1.071 287 T CB 1.701 70.452 68.868 -0.196 0.000 0.985 287 T HN 0.204 nan 8.240 nan 0.000 0.537 288 P HA -0.096 nan 4.420 nan 0.000 0.216 288 P C 1.660 178.897 177.300 -0.104 0.000 1.150 288 P CA 1.213 64.238 63.100 -0.126 0.000 0.843 288 P CB -0.222 31.383 31.700 -0.158 0.000 0.787 289 T N -0.729 113.767 114.554 -0.097 0.000 2.746 289 T HA -0.166 4.180 4.350 -0.007 0.000 0.267 289 T C 1.799 176.479 174.700 -0.034 0.000 1.039 289 T CA 1.194 63.255 62.100 -0.066 0.000 1.142 289 T CB -0.595 68.241 68.868 -0.054 0.000 0.866 289 T HN 0.146 nan 8.240 nan 0.000 0.444 290 Q N 0.490 120.283 119.800 -0.013 0.000 2.083 290 Q HA 0.027 4.362 4.340 -0.007 0.000 0.198 290 Q C 2.685 178.687 176.000 0.004 0.000 0.969 290 Q CA 0.851 56.672 55.803 0.031 0.000 0.838 290 Q CB -0.863 27.919 28.738 0.074 0.000 0.900 290 Q HN 0.400 nan 8.270 nan 0.000 0.436 291 V N 1.509 121.421 119.914 -0.003 0.000 2.407 291 V HA -0.228 3.887 4.120 -0.007 0.000 0.248 291 V C 2.354 178.416 176.094 -0.053 0.000 1.055 291 V CA 1.338 63.643 62.300 0.008 0.000 1.049 291 V CB -0.703 31.139 31.823 0.033 0.000 0.662 291 V HN 0.227 nan 8.190 nan 0.000 0.455 292 L N 1.055 122.237 121.223 -0.068 0.000 2.012 292 L HA -0.185 4.151 4.340 -0.007 0.000 0.210 292 L C 2.085 178.898 176.870 -0.095 0.000 1.073 292 L CA 2.441 57.230 54.840 -0.085 0.000 0.748 292 L CB -1.003 41.004 42.059 -0.087 0.000 0.891 292 L HN 0.381 nan 8.230 nan 0.000 0.431 293 N N -0.540 118.113 118.700 -0.078 0.000 2.188 293 N HA -0.141 4.595 4.740 -0.007 0.000 0.184 293 N C 1.810 177.180 175.510 -0.233 0.000 1.018 293 N CA 1.635 54.651 53.050 -0.056 0.000 0.858 293 N CB -0.221 38.298 38.487 0.054 0.000 0.989 293 N HN 0.488 nan 8.380 nan 0.000 0.426 294 I N -0.062 120.229 120.570 -0.466 0.000 2.127 294 I HA -0.310 3.855 4.170 -0.007 0.000 0.241 294 I C 2.257 177.951 176.117 -0.704 0.000 1.075 294 I CA 1.732 62.371 61.300 -1.101 0.000 1.334 294 I CB -0.793 36.686 38.000 -0.868 0.000 1.040 294 I HN 0.384 nan 8.210 nan 0.000 0.405 295 T N -1.698 112.638 114.554 -0.364 0.000 2.821 295 T HA -0.205 4.141 4.350 -0.007 0.000 0.267 295 T C 1.804 176.418 174.700 -0.143 0.000 1.046 295 T CA 1.080 63.048 62.100 -0.221 0.000 1.139 295 T CB -0.422 68.392 68.868 -0.091 0.000 0.871 295 T HN 0.379 nan 8.240 nan 0.000 0.454 296 Q N 0.355 120.083 119.800 -0.120 0.000 2.050 296 Q HA -0.103 4.233 4.340 -0.007 0.000 0.202 296 Q C 2.658 178.644 176.000 -0.023 0.000 0.980 296 Q CA 1.406 57.183 55.803 -0.043 0.000 0.840 296 Q CB -0.061 28.654 28.738 -0.038 0.000 0.898 296 Q HN 0.527 nan 8.270 nan 0.000 0.424 297 E N 0.012 120.180 120.200 -0.054 0.000 2.072 297 E HA -0.159 4.187 4.350 -0.007 0.000 0.191 297 E C 2.115 178.693 176.600 -0.038 0.000 0.985 297 E CA 0.749 57.153 56.400 0.006 0.000 0.801 297 E CB -0.387 29.416 29.700 0.172 0.000 0.750 297 E HN 0.370 nan 8.360 nan 0.000 0.452 298 C N 0.437 119.660 119.300 -0.127 0.000 2.432 298 C HA -0.123 4.333 4.460 -0.007 0.000 0.277 298 C C 2.498 177.378 174.990 -0.183 0.000 1.249 298 C CA 0.369 59.298 59.018 -0.149 0.000 1.725 298 C CB -1.202 26.401 27.740 -0.227 0.000 2.028 298 C HN 0.327 nan 8.230 nan 0.000 0.477 299 F N 1.696 121.501 119.950 -0.241 0.000 2.234 299 F HA -0.064 4.459 4.527 -0.006 0.000 0.299 299 F C 2.223 177.903 175.800 -0.200 0.000 1.087 299 F CA 1.456 59.320 58.000 -0.228 0.000 1.340 299 F CB -0.396 38.505 39.000 -0.165 0.000 1.031 299 F HN 0.171 nan 8.300 nan 0.000 0.500 300 K N -0.530 119.782 120.400 -0.147 0.000 2.097 300 K HA -0.086 4.230 4.320 -0.007 0.000 0.206 300 K C 2.370 178.831 176.600 -0.231 0.000 1.049 300 K CA 1.165 57.347 56.287 -0.174 0.000 0.933 300 K CB -0.795 31.665 32.500 -0.067 0.000 0.717 300 K HN 0.383 nan 8.250 nan 0.000 0.442 301 G N 0.984 109.651 108.800 -0.223 0.000 2.408 301 G HA2 -0.189 3.766 3.960 -0.007 0.000 0.217 301 G HA3 -0.189 3.766 3.960 -0.007 0.000 0.217 301 G C 1.461 176.149 174.900 -0.353 0.000 1.150 301 G CA 0.451 45.456 45.100 -0.158 0.000 0.776 301 G HN 0.131 nan 8.290 nan 0.000 0.542 302 I N 0.304 120.431 120.570 -0.739 0.000 2.252 302 I HA -0.103 4.063 4.170 -0.007 0.000 0.245 302 I C 2.609 178.432 176.117 -0.490 0.000 1.102 302 I CA 0.707 61.598 61.300 -0.681 0.000 1.385 302 I CB -0.127 37.458 38.000 -0.693 0.000 1.064 302 I HN 0.121 nan 8.210 nan 0.000 0.414 303 L N 0.410 121.268 121.223 -0.608 0.000 2.156 303 L HA -0.179 4.157 4.340 -0.007 0.000 0.208 303 L C 2.583 179.305 176.870 -0.247 0.000 1.095 303 L CA 1.128 55.697 54.840 -0.452 0.000 0.770 303 L CB -0.492 41.278 42.059 -0.482 0.000 0.914 303 L HN 0.211 nan 8.230 nan 0.000 0.439 304 K N 0.342 120.620 120.400 -0.204 0.000 2.026 304 K HA -0.205 4.111 4.320 -0.007 0.000 0.208 304 K C 1.653 178.203 176.600 -0.085 0.000 1.048 304 K CA 1.784 58.002 56.287 -0.115 0.000 0.929 304 K CB 0.043 32.496 32.500 -0.078 0.000 0.713 304 K HN 0.154 nan 8.250 nan 0.000 0.439 305 D N 0.725 121.084 120.400 -0.069 0.000 2.149 305 D HA -0.138 4.497 4.640 -0.007 0.000 0.198 305 D C 1.686 177.949 176.300 -0.063 0.000 0.990 305 D CA 1.202 55.180 54.000 -0.037 0.000 0.839 305 D CB 0.032 40.846 40.800 0.023 0.000 0.948 305 D HN 0.251 nan 8.370 nan 0.000 0.460 306 K N 0.314 120.656 120.400 -0.097 0.000 2.103 306 K HA -0.098 4.218 4.320 -0.007 0.000 0.207 306 K C 1.857 178.411 176.600 -0.076 0.000 1.048 306 K CA 0.785 57.017 56.287 -0.092 0.000 0.930 306 K CB 0.122 32.549 32.500 -0.121 0.000 0.716 306 K HN -0.012 nan 8.250 nan 0.000 0.444 307 K N 0.653 121.006 120.400 -0.079 0.000 2.288 307 K HA -0.020 4.296 4.320 -0.007 0.000 0.201 307 K C 0.984 177.553 176.600 -0.052 0.000 1.048 307 K CA 0.799 57.048 56.287 -0.063 0.000 0.956 307 K CB -0.043 32.419 32.500 -0.064 0.000 0.746 307 K HN 0.159 nan 8.250 nan 0.000 0.461 308 N N 1.450 120.119 118.700 -0.052 0.000 2.251 308 N HA -0.052 4.684 4.740 -0.007 0.000 0.217 308 N C -0.668 174.815 175.510 -0.045 0.000 1.124 308 N CA 0.067 53.089 53.050 -0.046 0.000 0.843 308 N CB 0.288 38.748 38.487 -0.045 0.000 1.024 308 N HN 0.100 nan 8.380 nan 0.000 0.501 309 D N 0.966 121.338 120.400 -0.047 0.000 2.697 309 D HA -0.207 4.429 4.640 -0.007 0.000 0.235 309 D C -0.734 175.540 176.300 -0.044 0.000 1.167 309 D CA 0.608 54.581 54.000 -0.045 0.000 0.656 309 D CB -1.113 39.663 40.800 -0.039 0.000 1.025 309 D HN 0.457 nan 8.370 nan 0.000 0.419 310 I N -0.094 120.449 120.570 -0.045 0.000 2.827 310 I HA 0.439 4.605 4.170 -0.007 0.000 0.298 310 I C -1.336 174.757 176.117 -0.040 0.000 1.235 310 I CA -0.876 60.397 61.300 -0.045 0.000 1.021 310 I CB 1.906 39.879 38.000 -0.045 0.000 1.259 310 I HN 0.064 nan 8.210 nan 0.000 0.427 311 E N 5.616 125.787 120.200 -0.048 0.000 2.241 311 E HA 0.645 4.991 4.350 -0.007 0.000 0.263 311 E C -0.779 175.767 176.600 -0.090 0.000 0.882 311 E CA -0.763 55.612 56.400 -0.041 0.000 0.769 311 E CB 1.890 31.566 29.700 -0.040 0.000 1.185 311 E HN 0.772 nan 8.360 nan 0.000 0.415 312 A N 3.712 126.488 122.820 -0.074 0.000 2.587 312 A HA -0.117 4.199 4.320 -0.007 0.000 0.235 312 A C 1.092 178.482 177.584 -0.323 0.000 1.044 312 A CA 0.606 52.546 52.037 -0.161 0.000 0.754 312 A CB 0.448 19.332 19.000 -0.193 0.000 0.968 312 A HN 0.973 nan 8.150 nan 0.000 0.509 313 Q N 0.970 120.610 119.800 -0.267 0.000 2.135 313 Q HA -0.195 4.140 4.340 -0.007 0.000 0.204 313 Q C -0.013 175.513 176.000 -0.790 0.000 0.981 313 Q CA 2.084 57.617 55.803 -0.450 0.000 0.856 313 Q CB -0.115 28.441 28.738 -0.304 0.000 0.902 313 Q HN 0.886 nan 8.270 nan 0.000 0.425 314 Y N -0.676 119.482 120.300 -0.236 0.000 2.720 314 Y HA 0.180 4.725 4.550 -0.007 0.000 0.277 314 Y C -0.060 175.834 175.900 -0.009 0.000 1.144 314 Y CA -0.160 57.897 58.100 -0.073 0.000 1.221 314 Y CB -0.064 38.484 38.460 0.147 0.000 1.163 314 Y HN 0.235 nan 8.280 nan 0.000 0.537 315 H N -1.065 118.087 119.070 0.136 0.000 1.452 315 H HA -0.355 4.197 4.556 -0.007 0.000 0.090 315 H C 1.534 176.993 175.328 0.220 0.000 0.968 315 H CA 1.475 57.600 56.048 0.129 0.000 1.901 315 H CB -0.966 28.830 29.762 0.057 0.000 2.257 315 H HN 0.402 nan 8.280 nan 0.000 0.961 316 D N 0.905 121.497 120.400 0.320 0.000 2.265 316 D HA -0.172 4.464 4.640 -0.007 0.000 0.208 316 D C 1.701 178.098 176.300 0.162 0.000 0.977 316 D CA 1.684 55.807 54.000 0.205 0.000 0.871 316 D CB -0.453 40.401 40.800 0.089 0.000 0.925 316 D HN 0.709 nan 8.370 nan 0.000 0.485 317 E N 0.703 121.027 120.200 0.207 0.000 2.107 317 E HA -0.112 4.233 4.350 -0.007 0.000 0.191 317 E C 1.872 178.537 176.600 0.108 0.000 0.982 317 E CA 0.719 57.218 56.400 0.166 0.000 0.809 317 E CB 0.191 30.054 29.700 0.272 0.000 0.756 317 E HN 0.090 nan 8.360 nan 0.000 0.459 318 S N -0.123 115.660 115.700 0.139 0.000 2.368 318 S HA -0.141 4.325 4.470 -0.007 0.000 0.225 318 S C 1.695 176.232 174.600 -0.106 0.000 1.030 318 S CA 0.818 59.040 58.200 0.036 0.000 0.999 318 S CB -0.333 62.854 63.200 -0.021 0.000 0.844 318 S HN 0.435 nan 8.310 nan 0.000 0.459 319 H N 0.317 119.379 119.070 -0.013 0.000 2.389 319 H HA 0.037 4.589 4.556 -0.007 0.000 0.299 319 H C 2.213 177.471 175.328 -0.118 0.000 1.081 319 H CA 1.153 57.163 56.048 -0.064 0.000 1.345 319 H CB -0.487 29.232 29.762 -0.072 0.000 1.393 319 H HN 0.231 nan 8.280 nan 0.000 0.520 320 L N 1.459 122.651 121.223 -0.052 0.000 2.046 320 L HA -0.136 4.200 4.340 -0.007 0.000 0.208 320 L C 1.876 178.667 176.870 -0.133 0.000 1.077 320 L CA 1.455 56.145 54.840 -0.250 0.000 0.747 320 L CB -0.633 41.259 42.059 -0.278 0.000 0.896 320 L HN 0.123 nan 8.230 nan 0.000 0.432 321 N N -0.240 118.454 118.700 -0.011 0.000 2.166 321 N HA -0.215 4.521 4.740 -0.007 0.000 0.186 321 N C 1.825 177.317 175.510 -0.029 0.000 1.019 321 N CA 1.205 54.303 53.050 0.080 0.000 0.856 321 N CB -0.034 38.432 38.487 -0.034 0.000 0.993 321 N HN 0.269 nan 8.380 nan 0.000 0.426 322 K N 0.854 121.185 120.400 -0.115 0.000 2.057 322 K HA -0.137 4.179 4.320 -0.007 0.000 0.206 322 K C 2.001 178.547 176.600 -0.089 0.000 1.050 322 K CA 0.996 57.195 56.287 -0.148 0.000 0.935 322 K CB -0.780 31.642 32.500 -0.129 0.000 0.715 322 K HN 0.171 nan 8.250 nan 0.000 0.439 323 Y N -0.063 120.125 120.300 -0.187 0.000 2.145 323 Y HA -0.136 4.410 4.550 -0.007 0.000 0.286 323 Y C 1.630 177.436 175.900 -0.156 0.000 1.145 323 Y CA 2.012 59.972 58.100 -0.234 0.000 1.148 323 Y CB -0.399 37.816 38.460 -0.409 0.000 0.981 323 Y HN 0.102 nan 8.280 nan 0.000 0.507 324 F N -1.086 118.894 119.950 0.051 0.000 2.451 324 F HA -0.162 4.361 4.527 -0.008 0.000 0.299 324 F C 2.010 177.762 175.800 -0.079 0.000 1.101 324 F CA 0.155 58.125 58.000 -0.050 0.000 1.436 324 F CB -0.026 38.876 39.000 -0.164 0.000 1.074 324 F HN 0.227 nan 8.300 nan 0.000 0.553 325 L N 0.108 121.380 121.223 0.082 0.000 2.095 325 L HA -0.090 4.245 4.340 -0.007 0.000 0.204 325 L C 1.836 178.614 176.870 -0.154 0.000 1.080 325 L CA 1.711 56.535 54.840 -0.027 0.000 0.759 325 L CB -0.537 41.458 42.059 -0.107 0.000 0.914 325 L HN 0.057 nan 8.230 nan 0.000 0.439 326 L N -0.456 120.639 121.223 -0.212 0.000 2.131 326 L HA -0.012 4.324 4.340 -0.007 0.000 0.206 326 L C 0.314 176.996 176.870 -0.314 0.000 1.087 326 L CA 0.542 55.227 54.840 -0.258 0.000 0.767 326 L CB -0.315 41.577 42.059 -0.280 0.000 0.917 326 L HN 0.286 nan 8.230 nan 0.000 0.441 327 N N 1.184 119.638 118.700 -0.409 0.000 2.696 327 N HA 0.145 4.881 4.740 -0.007 0.000 0.246 327 N C -0.900 174.505 175.510 -0.176 0.000 1.057 327 N CA -0.357 52.481 53.050 -0.353 0.000 0.867 327 N CB 1.105 39.240 38.487 -0.587 0.000 1.141 327 N HN 0.008 nan 8.380 nan 0.000 0.517 328 K N 2.084 122.298 120.400 -0.309 0.000 2.511 328 K HA 0.106 4.421 4.320 -0.007 0.000 0.280 328 K C -1.995 174.533 176.600 -0.120 0.000 1.008 328 K CA -0.981 55.035 56.287 -0.452 0.000 1.050 328 K CB 0.177 31.895 32.500 -1.304 0.000 0.889 328 K HN 0.347 nan 8.250 nan 0.000 0.484 329 P HA 0.016 nan 4.420 nan 0.000 0.271 329 P C 0.541 177.953 177.300 0.186 0.000 1.218 329 P CA -0.113 62.936 63.100 -0.085 0.000 0.780 329 P CB 0.502 31.853 31.700 -0.582 0.000 0.901 330 T N -0.999 113.631 114.554 0.127 0.000 3.113 330 T HA 0.060 4.405 4.350 -0.007 0.000 0.256 330 T C 0.535 175.287 174.700 0.088 0.000 1.131 330 T CA 0.509 62.706 62.100 0.162 0.000 1.074 330 T CB -0.024 68.922 68.868 0.131 0.000 0.944 330 T HN 0.514 nan 8.240 nan 0.000 0.516 331 K N 0.109 120.520 120.400 0.019 0.000 2.557 331 K HA 0.592 4.907 4.320 -0.007 0.000 0.257 331 K C -2.085 174.449 176.600 -0.110 0.000 0.933 331 K CA -0.912 55.343 56.287 -0.052 0.000 0.820 331 K CB 1.803 34.275 32.500 -0.048 0.000 1.330 331 K HN 0.177 nan 8.250 nan 0.000 0.432 332 I N 4.693 125.176 120.570 -0.146 0.000 2.569 332 I HA 0.376 4.542 4.170 -0.007 0.000 0.296 332 I C -0.608 175.383 176.117 -0.210 0.000 1.028 332 I CA -1.117 60.083 61.300 -0.167 0.000 1.082 332 I CB 1.834 39.714 38.000 -0.200 0.000 1.264 332 I HN 0.415 nan 8.210 nan 0.000 0.429 333 L N 4.274 125.371 121.223 -0.210 0.000 2.309 333 L HA 0.426 4.761 4.340 -0.007 0.000 0.282 333 L C 0.634 177.325 176.870 -0.299 0.000 1.036 333 L CA -0.541 54.094 54.840 -0.342 0.000 0.806 333 L CB 1.683 43.490 42.059 -0.419 0.000 1.220 333 L HN 0.702 nan 8.230 nan 0.000 0.429 334 S N 2.134 117.557 115.700 -0.463 0.000 2.596 334 S HA 0.215 4.681 4.470 -0.007 0.000 0.260 334 S C -1.914 172.414 174.600 -0.453 0.000 1.336 334 S CA -0.927 56.729 58.200 -0.906 0.000 0.993 334 S CB 0.737 62.760 63.200 -1.963 0.000 0.923 334 S HN 0.450 nan 8.310 nan 0.000 0.567 335 P HA -0.006 nan 4.420 nan 0.000 0.231 335 P C 0.693 177.966 177.300 -0.046 0.000 1.158 335 P CA 0.899 63.934 63.100 -0.108 0.000 0.763 335 P CB -0.094 31.542 31.700 -0.107 0.000 0.805 336 E N -1.817 118.209 120.200 -0.290 0.000 2.268 336 E HA -0.165 4.181 4.350 -0.007 0.000 0.195 336 E C 0.850 177.283 176.600 -0.279 0.000 0.995 336 E CA 0.887 57.099 56.400 -0.313 0.000 0.836 336 E CB -0.428 29.051 29.700 -0.369 0.000 0.763 336 E HN 0.441 nan 8.360 nan 0.000 0.491 337 Y N -1.158 119.062 120.300 -0.132 0.000 2.490 337 Y HA 0.115 4.661 4.550 -0.007 0.000 0.281 337 Y C 0.590 176.573 175.900 0.139 0.000 1.174 337 Y CA -0.055 57.999 58.100 -0.076 0.000 1.295 337 Y CB 0.771 39.075 38.460 -0.260 0.000 1.062 337 Y HN -0.009 nan 8.280 nan 0.000 0.522 338 C N 1.207 120.686 119.300 0.299 0.000 3.096 338 C HA 0.137 4.593 4.460 -0.007 0.000 0.329 338 C C -0.843 174.454 174.990 0.510 0.000 0.912 338 C CA -1.151 58.123 59.018 0.426 0.000 1.168 338 C CB -1.209 26.822 27.740 0.485 0.000 1.627 338 C HN 0.536 nan 8.230 nan 0.000 0.622 339 W N 3.346 124.662 121.300 0.027 0.000 2.438 339 W HA 0.464 5.119 4.660 -0.008 0.000 0.324 339 W C -0.724 175.426 176.519 -0.615 0.000 1.119 339 W CA 0.117 57.278 57.345 -0.307 0.000 1.221 339 W CB 1.266 30.439 29.460 -0.477 0.000 1.253 339 W HN 0.614 nan 8.180 nan 0.000 0.555 340 D N 4.160 123.384 120.400 -1.959 0.000 2.443 340 D HA 0.091 4.726 4.640 -0.007 0.000 0.221 340 D C 0.362 175.842 176.300 -1.366 0.000 1.097 340 D CA -0.304 52.633 54.000 -1.772 0.000 0.865 340 D CB 0.189 39.706 40.800 -2.137 0.000 1.034 340 D HN 0.339 nan 8.370 nan 0.000 0.511 341 Y N 1.667 121.656 120.300 -0.518 0.000 2.569 341 Y HA -0.177 4.369 4.550 -0.007 0.000 0.293 341 Y C 1.922 177.745 175.900 -0.129 0.000 1.144 341 Y CA 0.641 58.649 58.100 -0.152 0.000 1.321 341 Y CB -0.055 38.429 38.460 0.041 0.000 0.982 341 Y HN 0.611 nan 8.280 nan 0.000 0.558 342 H N 0.140 119.116 119.070 -0.155 0.000 2.457 342 H HA -0.118 4.434 4.556 -0.007 0.000 0.294 342 H C 1.760 177.000 175.328 -0.148 0.000 1.064 342 H CA 1.568 57.580 56.048 -0.061 0.000 1.330 342 H CB -0.266 29.522 29.762 0.044 0.000 1.395 342 H HN 0.351 nan 8.280 nan 0.000 0.541 343 I N -0.502 119.759 120.570 -0.515 0.000 2.761 343 I HA 0.058 4.223 4.170 -0.007 0.000 0.261 343 I C 1.585 177.575 176.117 -0.212 0.000 1.198 343 I CA 0.585 61.501 61.300 -0.640 0.000 1.482 343 I CB -0.284 37.082 38.000 -1.056 0.000 1.100 343 I HN 0.562 nan 8.210 nan 0.000 0.445 344 G N 1.260 110.055 108.800 -0.009 0.000 2.445 344 G HA2 -0.169 3.786 3.960 -0.007 0.000 0.212 344 G HA3 -0.169 3.786 3.960 -0.007 0.000 0.212 344 G C -1.036 174.082 174.900 0.363 0.000 1.217 344 G CA -0.439 44.745 45.100 0.140 0.000 1.002 344 G HN 0.052 nan 8.290 nan 0.000 0.574 345 L N 2.471 123.824 121.223 0.217 0.000 2.514 345 L HA 0.574 4.909 4.340 -0.007 0.000 0.257 345 L C -1.580 175.288 176.870 -0.004 0.000 1.101 345 L CA -1.105 53.806 54.840 0.120 0.000 0.911 345 L CB 1.060 43.199 42.059 0.133 0.000 1.162 345 L HN 0.741 nan 8.230 nan 0.000 0.477 346 P HA 0.287 nan 4.420 nan 0.000 0.275 346 P C 0.629 177.879 177.300 -0.085 0.000 1.266 346 P CA -0.162 62.917 63.100 -0.035 0.000 0.793 346 P CB 1.009 32.722 31.700 0.022 0.000 1.074 347 A N 0.622 123.412 122.820 -0.051 0.000 1.940 347 A HA -0.200 4.116 4.320 -0.007 0.000 0.219 347 A C 1.738 179.274 177.584 -0.080 0.000 1.176 347 A CA 1.967 53.968 52.037 -0.061 0.000 0.631 347 A CB -1.121 17.852 19.000 -0.046 0.000 0.814 347 A HN 0.551 nan 8.150 nan 0.000 0.446 348 D N -0.200 120.164 120.400 -0.061 0.000 2.263 348 D HA -0.048 4.587 4.640 -0.007 0.000 0.208 348 D C 0.381 176.660 176.300 -0.036 0.000 0.971 348 D CA 0.612 54.578 54.000 -0.056 0.000 0.867 348 D CB -0.126 40.714 40.800 0.065 0.000 0.929 348 D HN 0.289 nan 8.370 nan 0.000 0.492 349 I N 2.060 122.500 120.570 -0.217 0.000 2.256 349 I HA 0.047 4.213 4.170 -0.007 0.000 0.294 349 I C 1.336 177.307 176.117 -0.243 0.000 1.127 349 I CA -0.220 60.850 61.300 -0.383 0.000 1.247 349 I CB 0.827 38.257 38.000 -0.950 0.000 1.460 349 I HN -0.253 nan 8.210 nan 0.000 0.511 350 K N 3.755 124.083 120.400 -0.119 0.000 2.044 350 K HA 0.101 4.417 4.320 -0.007 0.000 0.204 350 K C 0.376 176.924 176.600 -0.087 0.000 1.049 350 K CA 0.869 57.108 56.287 -0.081 0.000 0.945 350 K CB 0.262 32.746 32.500 -0.028 0.000 0.724 350 K HN 0.352 nan 8.250 nan 0.000 0.440 351 L N 0.796 121.955 121.223 -0.107 0.000 2.555 351 L HA 0.251 4.586 4.340 -0.007 0.000 0.264 351 L C -1.327 175.443 176.870 -0.167 0.000 0.972 351 L CA -0.512 54.269 54.840 -0.098 0.000 0.876 351 L CB 1.894 43.920 42.059 -0.056 0.000 1.216 351 L HN -0.259 nan 8.230 nan 0.000 0.415 352 V N 6.020 125.852 119.914 -0.137 0.000 2.479 352 V HA 0.136 4.252 4.120 -0.007 0.000 0.281 352 V C 0.912 176.930 176.094 -0.125 0.000 1.031 352 V CA 0.030 62.242 62.300 -0.146 0.000 1.038 352 V CB 0.813 32.610 31.823 -0.043 0.000 0.981 352 V HN 0.767 nan 8.190 nan 0.000 0.478 353 K N 3.508 123.786 120.400 -0.204 0.000 2.308 353 K HA 0.350 4.666 4.320 -0.007 0.000 0.197 353 K C 0.150 176.788 176.600 0.063 0.000 1.049 353 K CA 0.392 56.601 56.287 -0.130 0.000 0.991 353 K CB 0.295 32.578 32.500 -0.361 0.000 0.836 353 K HN 0.641 nan 8.250 nan 0.000 0.500 354 M N -0.056 119.575 119.600 0.053 0.000 2.413 354 M HA 0.301 4.777 4.480 -0.007 0.000 0.287 354 M C -1.808 174.568 176.300 0.127 0.000 1.186 354 M CA -0.371 54.962 55.300 0.055 0.000 0.927 354 M CB 2.244 34.846 32.600 0.004 0.000 1.715 354 M HN 0.021 nan 8.290 nan 0.000 0.478 355 S N 2.139 117.936 115.700 0.162 0.000 2.542 355 S HA 0.814 5.280 4.470 -0.007 0.000 0.293 355 S C -1.520 173.289 174.600 0.348 0.000 1.089 355 S CA -0.771 57.565 58.200 0.226 0.000 0.961 355 S CB 0.870 64.233 63.200 0.270 0.000 1.062 355 S HN 0.688 nan 8.310 nan 0.000 0.483 356 W N 1.664 122.991 121.300 0.045 0.000 2.170 356 W HA 0.383 5.039 4.660 -0.007 0.000 0.336 356 W C 0.827 177.377 176.519 0.052 0.000 1.283 356 W CA -0.715 56.658 57.345 0.047 0.000 1.224 356 W CB 0.095 29.590 29.460 0.058 0.000 1.132 356 W HN 0.567 nan 8.180 nan 0.000 0.571 357 Q N 1.152 121.082 119.800 0.216 0.000 2.230 357 Q HA 0.241 4.577 4.340 -0.007 0.000 0.248 357 Q C 0.084 176.166 176.000 0.137 0.000 0.915 357 Q CA -0.257 55.628 55.803 0.136 0.000 0.900 357 Q CB 1.190 29.911 28.738 -0.027 0.000 1.229 357 Q HN 0.332 nan 8.270 nan 0.000 0.439 358 T N 2.971 117.607 114.554 0.138 0.000 2.932 358 T HA 0.062 4.408 4.350 -0.007 0.000 0.312 358 T C 0.320 175.024 174.700 0.006 0.000 1.071 358 T CA -0.273 61.871 62.100 0.074 0.000 1.128 358 T CB 0.377 69.278 68.868 0.055 0.000 0.984 358 T HN 0.090 nan 8.240 nan 0.000 0.549 359 K N 3.067 123.392 120.400 -0.125 0.000 2.326 359 K HA 0.191 4.507 4.320 -0.007 0.000 0.275 359 K C 0.421 176.838 176.600 -0.306 0.000 1.018 359 K CA 0.066 56.137 56.287 -0.361 0.000 0.962 359 K CB 0.585 32.638 32.500 -0.746 0.000 0.953 359 K HN 0.677 nan 8.250 nan 0.000 0.475 360 E N 2.040 122.079 120.200 -0.269 0.000 4.017 360 E HA 0.089 4.435 4.350 -0.007 0.000 0.205 360 E C 0.239 176.782 176.600 -0.095 0.000 1.054 360 E CA -0.055 56.261 56.400 -0.139 0.000 1.398 360 E CB 0.163 29.841 29.700 -0.038 0.000 1.164 360 E HN 0.527 nan 8.360 nan 0.000 0.445 361 Y N 0.349 120.571 120.300 -0.130 0.000 2.181 361 Y HA -0.335 4.211 4.550 -0.007 0.000 0.284 361 Y C 2.467 178.286 175.900 -0.136 0.000 1.179 361 Y CA 1.059 59.056 58.100 -0.172 0.000 1.179 361 Y CB -0.160 38.188 38.460 -0.187 0.000 0.973 361 Y HN 0.298 nan 8.280 nan 0.000 0.519 362 N N 0.336 119.071 118.700 0.059 0.000 2.192 362 N HA -0.162 4.573 4.740 -0.007 0.000 0.188 362 N C 1.280 176.783 175.510 -0.012 0.000 1.013 362 N CA 1.564 54.628 53.050 0.022 0.000 0.863 362 N CB -0.219 38.276 38.487 0.013 0.000 0.990 362 N HN 0.113 nan 8.380 nan 0.000 0.430 363 V N -0.625 119.252 119.914 -0.062 0.000 2.690 363 V HA -0.016 4.099 4.120 -0.007 0.000 0.240 363 V C 2.152 178.142 176.094 -0.174 0.000 1.078 363 V CA 1.063 63.294 62.300 -0.116 0.000 1.102 363 V CB -0.043 31.681 31.823 -0.165 0.000 0.800 363 V HN 0.368 nan 8.190 nan 0.000 0.479 364 V N -1.242 118.514 119.914 -0.263 0.000 2.871 364 V HA 0.128 4.244 4.120 -0.007 0.000 0.256 364 V C 1.090 177.214 176.094 0.049 0.000 1.082 364 V CA 0.717 62.873 62.300 -0.241 0.000 1.105 364 V CB -0.681 30.759 31.823 -0.639 0.000 0.713 364 V HN 0.383 nan 8.190 nan 0.000 0.473 365 R N 1.164 121.673 120.500 0.016 0.000 2.604 365 R HA 0.505 4.840 4.340 -0.007 0.000 0.287 365 R C -0.170 176.161 176.300 0.051 0.000 0.970 365 R CA -0.318 55.792 56.100 0.017 0.000 0.946 365 R CB 0.955 31.089 30.300 -0.277 0.000 1.127 365 R HN 0.242 nan 8.270 nan 0.000 0.473 366 N N 1.548 120.318 118.700 0.117 0.000 2.187 366 N HA 0.022 4.757 4.740 -0.007 0.000 0.212 366 N C -0.784 174.802 175.510 0.126 0.000 1.152 366 N CA 0.063 53.175 53.050 0.102 0.000 0.872 366 N CB 0.395 38.935 38.487 0.089 0.000 1.025 366 N HN 0.637 nan 8.380 nan 0.000 0.514 367 N N -1.069 117.756 118.700 0.207 0.000 2.610 367 N HA 0.224 4.959 4.740 -0.007 0.000 0.264 367 N C -0.687 175.002 175.510 0.299 0.000 1.348 367 N CA -0.463 52.707 53.050 0.200 0.000 0.819 367 N CB 1.601 40.175 38.487 0.145 0.000 1.521 367 N HN -0.378 nan 8.380 nan 0.000 0.497 368 V N 0.000 120.037 119.914 0.205 0.000 2.409 368 V HA 0.000 4.116 4.120 -0.007 0.000 0.244 368 V CA 0.000 62.441 62.300 0.234 0.000 1.235 368 V CB 0.000 31.897 31.823 0.124 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556