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 2wgz_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 AQWHDESHLN 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 0.000 176.622 176.600 0.037 0.000 0.988 82 K CA 0.000 56.372 56.287 0.142 0.000 0.838 82 K CB 0.000 32.562 32.500 0.103 0.000 1.064 83 L N 3.697 124.856 121.223 -0.107 0.000 2.462 83 L HA 0.246 4.582 4.340 -0.007 0.000 0.272 83 L C 0.042 176.875 176.870 -0.061 0.000 1.166 83 L CA 0.914 55.562 54.840 -0.319 0.000 0.880 83 L CB 0.290 41.872 42.059 -0.795 0.000 1.142 83 L HN 0.462 nan 8.230 nan 0.000 0.473 84 K N 3.678 124.078 120.400 0.000 0.000 2.208 84 K HA 0.164 4.480 4.320 -0.007 0.000 0.247 84 K C 0.681 177.346 176.600 0.108 0.000 0.953 84 K CA -0.723 55.598 56.287 0.057 0.000 0.837 84 K CB 1.816 34.338 32.500 0.036 0.000 1.131 84 K HN 0.622 nan 8.250 nan 0.000 0.431 85 L N 3.027 124.290 121.223 0.066 0.000 2.042 85 L HA -0.214 4.122 4.340 -0.007 0.000 0.210 85 L C 2.029 178.715 176.870 -0.307 0.000 1.076 85 L CA 2.568 57.352 54.840 -0.094 0.000 0.749 85 L CB -0.669 41.339 42.059 -0.085 0.000 0.893 85 L HN 0.817 nan 8.230 nan 0.000 0.432 86 S N -2.099 113.532 115.700 -0.115 0.000 2.474 86 S HA -0.131 4.335 4.470 -0.007 0.000 0.235 86 S C 1.598 176.163 174.600 -0.058 0.000 0.997 86 S CA 0.799 58.943 58.200 -0.093 0.000 0.949 86 S CB -0.707 62.480 63.200 -0.022 0.000 0.766 86 S HN 0.498 nan 8.310 nan 0.000 0.517 87 D N 1.301 121.702 120.400 0.002 0.000 2.178 87 D HA -0.071 4.565 4.640 -0.007 0.000 0.201 87 D C 1.581 177.984 176.300 0.173 0.000 0.980 87 D CA 1.389 55.441 54.000 0.086 0.000 0.842 87 D CB -0.172 40.693 40.800 0.108 0.000 0.948 87 D HN 0.898 nan 8.370 nan 0.000 0.472 88 W N -1.558 119.779 121.300 0.062 0.000 2.520 88 W HA 0.277 4.934 4.660 -0.006 0.000 0.272 88 W C -0.461 176.178 176.519 0.200 0.000 0.984 88 W CA -0.501 56.909 57.345 0.110 0.000 1.314 88 W CB -0.043 29.472 29.460 0.092 0.000 0.945 88 W HN -0.248 nan 8.180 nan 0.000 0.596 89 F N 4.378 123.820 119.950 -0.847 0.000 2.426 89 F HA 0.508 5.031 4.527 -0.007 0.000 0.348 89 F C -0.752 174.791 175.800 -0.429 0.000 1.124 89 F CA -1.126 56.355 58.000 -0.866 0.000 1.008 89 F CB 1.014 39.057 39.000 -1.596 0.000 1.139 89 F HN -0.243 nan 8.300 nan 0.000 0.452 90 N N 8.331 126.522 118.700 -0.847 0.000 2.623 90 N HA 0.356 5.091 4.740 -0.007 0.000 0.256 90 N C -2.225 172.729 175.510 -0.926 0.000 1.045 90 N CA -2.435 50.226 53.050 -0.649 0.000 0.863 90 N CB 1.904 40.230 38.487 -0.268 0.000 1.182 90 N HN 0.259 nan 8.380 nan 0.000 0.523 91 P HA -0.042 nan 4.420 nan 0.000 0.221 91 P C 0.922 177.809 177.300 -0.688 0.000 1.150 91 P CA 0.907 63.416 63.100 -0.985 0.000 0.800 91 P CB -0.015 31.151 31.700 -0.890 0.000 0.787 92 F N 0.362 120.164 119.950 -0.247 0.000 2.699 92 F HA 0.034 4.557 4.527 -0.007 0.000 0.298 92 F C 2.156 177.858 175.800 -0.163 0.000 1.154 92 F CA 0.484 58.383 58.000 -0.169 0.000 1.457 92 F CB -0.650 38.270 39.000 -0.135 0.000 1.106 92 F HN -0.192 nan 8.300 nan 0.000 0.585 93 K N 0.353 120.693 120.400 -0.100 0.000 2.288 93 K HA 0.044 4.360 4.320 -0.007 0.000 0.201 93 K C 0.507 177.034 176.600 -0.122 0.000 1.048 93 K CA 0.663 56.887 56.287 -0.105 0.000 0.956 93 K CB 0.048 32.464 32.500 -0.140 0.000 0.746 93 K HN 0.114 nan 8.250 nan 0.000 0.461 94 R N 0.860 121.259 120.500 -0.168 0.000 2.585 94 R HA 0.164 4.500 4.340 -0.007 0.000 0.278 94 R C -2.112 174.055 176.300 -0.222 0.000 1.663 94 R CA -1.463 54.514 56.100 -0.206 0.000 1.592 94 R CB 0.862 31.011 30.300 -0.251 0.000 1.200 94 R HN -0.028 nan 8.270 nan 0.000 0.611 95 P HA -0.007 nan 4.420 nan 0.000 0.229 95 P C 0.413 177.641 177.300 -0.120 0.000 1.160 95 P CA 0.703 63.745 63.100 -0.097 0.000 0.777 95 P CB 0.689 32.367 31.700 -0.037 0.000 0.814 96 E N -0.085 120.013 120.200 -0.169 0.000 2.444 96 E HA 0.099 4.445 4.350 -0.007 0.000 0.191 96 E C 0.467 176.938 176.600 -0.215 0.000 1.041 96 E CA -0.198 56.108 56.400 -0.156 0.000 0.883 96 E CB 0.032 29.652 29.700 -0.133 0.000 1.024 96 E HN 0.166 nan 8.360 nan 0.000 0.470 97 V N -3.775 115.944 119.914 -0.325 0.000 3.141 97 V HA 0.531 4.647 4.120 -0.007 0.000 0.312 97 V C 0.120 176.099 176.094 -0.192 0.000 1.157 97 V CA -1.327 60.731 62.300 -0.404 0.000 1.041 97 V CB 1.808 32.901 31.823 -1.217 0.000 1.071 97 V HN -0.303 nan 8.190 nan 0.000 0.441 98 V N 2.307 122.251 119.914 0.050 0.000 2.470 98 V HA 0.313 4.429 4.120 -0.007 0.000 0.276 98 V C 1.450 177.712 176.094 0.280 0.000 1.040 98 V CA 0.954 63.375 62.300 0.202 0.000 1.008 98 V CB 0.339 32.384 31.823 0.370 0.000 0.990 98 V HN 1.222 nan 8.190 nan 0.000 0.477 99 T N 1.135 115.792 114.554 0.172 0.000 2.959 99 T HA 0.393 4.739 4.350 -0.007 0.000 0.254 99 T C 0.344 175.175 174.700 0.218 0.000 1.003 99 T CA -0.156 62.107 62.100 0.273 0.000 0.950 99 T CB 0.484 69.427 68.868 0.126 0.000 1.090 99 T HN 0.313 nan 8.240 nan 0.000 0.503 100 M N 2.911 122.563 119.600 0.086 0.000 2.446 100 M HA 0.443 4.919 4.480 -0.007 0.000 0.294 100 M C -0.418 175.835 176.300 -0.078 0.000 1.158 100 M CA -0.441 54.848 55.300 -0.019 0.000 0.899 100 M CB 2.248 34.837 32.600 -0.019 0.000 1.687 100 M HN 0.326 nan 8.290 nan 0.000 0.455 101 T N -1.424 112.962 114.554 -0.281 0.000 2.881 101 T HA 0.400 4.745 4.350 -0.007 0.000 0.278 101 T C 1.074 175.552 174.700 -0.371 0.000 0.982 101 T CA -0.698 61.109 62.100 -0.490 0.000 0.989 101 T CB 1.147 69.143 68.868 -1.454 0.000 1.058 101 T HN 0.828 nan 8.240 nan 0.000 0.529 102 K N -0.300 119.964 120.400 -0.228 0.000 2.280 102 K HA -0.092 4.223 4.320 -0.007 0.000 0.202 102 K C 1.201 177.885 176.600 0.140 0.000 1.047 102 K CA 1.174 57.480 56.287 0.032 0.000 0.942 102 K CB -0.453 32.149 32.500 0.169 0.000 0.739 102 K HN 0.889 nan 8.250 nan 0.000 0.457 103 W N 1.328 122.694 121.300 0.111 0.000 3.325 103 W HA 0.401 5.056 4.660 -0.007 0.000 0.370 103 W C -0.646 175.918 176.519 0.075 0.000 1.169 103 W CA -0.844 56.554 57.345 0.088 0.000 1.874 103 W CB 0.520 30.035 29.460 0.091 0.000 1.076 103 W HN -0.118 nan 8.180 nan 0.000 0.684 104 K N -0.820 119.510 120.400 -0.116 0.000 3.339 104 K HA -0.225 4.091 4.320 -0.007 0.000 0.299 104 K C 0.201 176.729 176.600 -0.120 0.000 1.270 104 K CA 1.268 57.507 56.287 -0.079 0.000 0.875 104 K CB -2.356 30.163 32.500 0.030 0.000 1.298 104 K HN 0.496 nan 8.250 nan 0.000 0.485 105 A N 1.799 124.441 122.820 -0.296 0.000 2.327 105 A HA 0.570 4.886 4.320 -0.007 0.000 0.283 105 A C -1.952 175.466 177.584 -0.278 0.000 1.127 105 A CA -1.183 50.736 52.037 -0.195 0.000 0.810 105 A CB 0.444 19.406 19.000 -0.064 0.000 1.066 105 A HN -0.006 nan 8.150 nan 0.000 0.492 106 P HA 0.276 nan 4.420 nan 0.000 0.278 106 P C -0.778 176.317 177.300 -0.341 0.000 1.238 106 P CA -0.119 62.618 63.100 -0.605 0.000 0.794 106 P CB 1.136 32.056 31.700 -1.301 0.000 0.955 107 V N 3.904 123.734 119.914 -0.141 0.000 2.311 107 V HA 0.106 4.222 4.120 -0.007 0.000 0.275 107 V C 0.538 176.737 176.094 0.176 0.000 1.022 107 V CA -0.755 61.538 62.300 -0.013 0.000 0.830 107 V CB 1.385 33.277 31.823 0.115 0.000 1.012 107 V HN 0.259 nan 8.190 nan 0.000 0.452 108 V N 5.301 125.227 119.914 0.020 0.000 2.387 108 V HA 0.216 4.332 4.120 -0.007 0.000 0.260 108 V C -0.315 175.898 176.094 0.198 0.000 1.054 108 V CA -0.179 62.267 62.300 0.243 0.000 0.967 108 V CB -0.129 31.749 31.823 0.090 0.000 1.036 108 V HN 0.829 nan 8.190 nan 0.000 0.481 109 W N 2.163 123.678 121.300 0.360 0.000 2.639 109 W HA 0.546 5.203 4.660 -0.006 0.000 0.347 109 W C 0.362 177.053 176.519 0.285 0.000 1.067 109 W CA -0.951 56.540 57.345 0.244 0.000 1.218 109 W CB 0.900 30.422 29.460 0.103 0.000 1.393 109 W HN 0.444 nan 8.180 nan 0.000 0.557 110 E N 0.838 121.290 120.200 0.420 0.000 2.480 110 E HA 0.308 4.654 4.350 -0.007 0.000 0.258 110 E C 1.033 177.665 176.600 0.053 0.000 0.984 110 E CA 2.017 58.553 56.400 0.227 0.000 0.930 110 E CB 0.160 29.919 29.700 0.098 0.000 0.936 110 E HN 0.649 nan 8.360 nan 0.000 0.466 111 G N 2.867 111.550 108.800 -0.196 0.000 2.259 111 G HA2 -0.334 3.622 3.960 -0.007 0.000 0.217 111 G HA3 -0.334 3.622 3.960 -0.007 0.000 0.217 111 G C 1.056 175.835 174.900 -0.201 0.000 1.001 111 G CA 0.731 45.712 45.100 -0.199 0.000 0.627 111 G HN 0.811 nan 8.290 nan 0.000 0.501 112 T N -1.303 113.189 114.554 -0.104 0.000 3.054 112 T HA 0.400 4.746 4.350 -0.007 0.000 0.259 112 T C 1.017 175.707 174.700 -0.017 0.000 1.092 112 T CA 1.218 63.230 62.100 -0.146 0.000 1.121 112 T CB -0.159 68.640 68.868 -0.114 0.000 0.912 112 T HN 1.297 nan 8.240 nan 0.000 0.489 113 Y N 0.394 120.818 120.300 0.206 0.000 2.361 113 Y HA 0.723 5.269 4.550 -0.006 0.000 0.332 113 Y C -0.288 175.773 175.900 0.269 0.000 1.101 113 Y CA -2.401 55.932 58.100 0.389 0.000 1.137 113 Y CB 0.715 39.486 38.460 0.519 0.000 1.207 113 Y HN -0.166 nan 8.280 nan 0.000 0.463 114 N N 3.750 122.745 118.700 0.491 0.000 2.817 114 N HA 0.162 4.898 4.740 -0.007 0.000 0.234 114 N C 0.667 176.404 175.510 0.378 0.000 1.066 114 N CA -0.223 53.021 53.050 0.323 0.000 0.926 114 N CB 0.475 39.108 38.487 0.244 0.000 1.176 114 N HN 0.974 nan 8.380 nan 0.000 0.506 115 R N 2.315 123.061 120.500 0.411 0.000 2.092 115 R HA -0.050 4.286 4.340 -0.007 0.000 0.231 115 R C 1.634 178.063 176.300 0.216 0.000 1.119 115 R CA 1.507 57.796 56.100 0.315 0.000 0.970 115 R CB 0.086 30.587 30.300 0.334 0.000 0.864 115 R HN 0.534 nan 8.270 nan 0.000 0.440 116 A N 0.237 123.169 122.820 0.187 0.000 1.908 116 A HA -0.131 4.185 4.320 -0.007 0.000 0.218 116 A C 2.223 179.894 177.584 0.145 0.000 1.181 116 A CA 1.618 53.743 52.037 0.145 0.000 0.627 116 A CB -0.588 18.480 19.000 0.113 0.000 0.818 116 A HN 0.218 nan 8.150 nan 0.000 0.445 117 V N -0.010 119.997 119.914 0.154 0.000 2.295 117 V HA -0.258 3.858 4.120 -0.007 0.000 0.246 117 V C 2.579 178.755 176.094 0.138 0.000 1.049 117 V CA 2.051 64.437 62.300 0.143 0.000 1.024 117 V CB -0.671 31.247 31.823 0.157 0.000 0.648 117 V HN 0.577 nan 8.190 nan 0.000 0.447 118 L N -0.577 120.727 121.223 0.135 0.000 2.056 118 L HA -0.143 4.193 4.340 -0.007 0.000 0.207 118 L C 2.402 179.413 176.870 0.235 0.000 1.078 118 L CA 1.400 56.294 54.840 0.089 0.000 0.749 118 L CB -0.744 41.334 42.059 0.031 0.000 0.901 118 L HN 0.322 nan 8.230 nan 0.000 0.433 119 D N 0.079 120.634 120.400 0.259 0.000 2.123 119 D HA -0.223 4.413 4.640 -0.007 0.000 0.196 119 D C 1.875 178.354 176.300 0.299 0.000 0.992 119 D CA 1.509 55.726 54.000 0.362 0.000 0.833 119 D CB -0.207 40.754 40.800 0.269 0.000 0.954 119 D HN 0.281 nan 8.370 nan 0.000 0.455 120 N N -0.494 118.322 118.700 0.194 0.000 2.106 120 N HA -0.218 4.518 4.740 -0.007 0.000 0.188 120 N C 1.875 177.467 175.510 0.135 0.000 1.029 120 N CA 0.991 54.126 53.050 0.142 0.000 0.848 120 N CB -0.407 38.148 38.487 0.113 0.000 1.007 120 N HN 0.156 nan 8.380 nan 0.000 0.423 121 Y N -0.124 120.169 120.300 -0.012 0.000 2.128 121 Y HA -0.258 4.288 4.550 -0.006 0.000 0.284 121 Y C 1.608 177.445 175.900 -0.105 0.000 1.154 121 Y CA 1.937 59.962 58.100 -0.125 0.000 1.149 121 Y CB -0.600 37.676 38.460 -0.306 0.000 0.976 121 Y HN 0.241 nan 8.280 nan 0.000 0.505 122 Y N -0.965 119.398 120.300 0.104 0.000 2.337 122 Y HA -0.036 4.510 4.550 -0.007 0.000 0.293 122 Y C 2.562 178.516 175.900 0.089 0.000 1.123 122 Y CA 0.444 58.558 58.100 0.022 0.000 1.201 122 Y CB -0.430 38.011 38.460 -0.033 0.000 1.011 122 Y HN 0.221 nan 8.280 nan 0.000 0.545 123 A N 0.464 123.483 122.820 0.330 0.000 1.933 123 A HA -0.198 4.118 4.320 -0.007 0.000 0.218 123 A C 2.011 179.639 177.584 0.073 0.000 1.175 123 A CA 1.637 53.791 52.037 0.194 0.000 0.628 123 A CB -0.393 18.667 19.000 0.100 0.000 0.814 123 A HN 0.372 nan 8.150 nan 0.000 0.444 124 K N -0.522 119.886 120.400 0.013 0.000 2.217 124 K HA -0.059 4.257 4.320 -0.007 0.000 0.202 124 K C 2.016 178.576 176.600 -0.066 0.000 1.051 124 K CA 1.198 57.462 56.287 -0.039 0.000 0.952 124 K CB -0.069 32.387 32.500 -0.072 0.000 0.736 124 K HN 0.561 nan 8.250 nan 0.000 0.453 125 Q N 0.691 120.433 119.800 -0.096 0.000 2.432 125 Q HA 0.021 4.357 4.340 -0.007 0.000 0.205 125 Q C -0.564 175.449 176.000 0.022 0.000 0.945 125 Q CA 0.269 56.032 55.803 -0.067 0.000 0.924 125 Q CB 0.211 28.889 28.738 -0.099 0.000 1.016 125 Q HN 0.123 nan 8.270 nan 0.000 0.503 126 K N 1.356 121.790 120.400 0.058 0.000 3.653 126 K HA -0.183 4.133 4.320 -0.007 0.000 0.275 126 K C -0.244 176.409 176.600 0.088 0.000 0.962 126 K CA 0.201 56.532 56.287 0.074 0.000 0.773 126 K CB -2.017 30.506 32.500 0.039 0.000 1.463 126 K HN 0.396 nan 8.250 nan 0.000 0.450 127 I N -2.549 118.101 120.570 0.133 0.000 2.713 127 I HA 0.393 4.558 4.170 -0.007 0.000 0.300 127 I C 0.256 176.425 176.117 0.087 0.000 1.009 127 I CA -0.282 61.083 61.300 0.108 0.000 1.305 127 I CB 1.603 39.680 38.000 0.129 0.000 1.430 127 I HN -0.018 nan 8.210 nan 0.000 0.546 128 T N 4.043 118.637 114.554 0.067 0.000 2.861 128 T HA 0.574 4.920 4.350 -0.007 0.000 0.287 128 T C -0.521 174.229 174.700 0.084 0.000 1.003 128 T CA -0.486 61.650 62.100 0.061 0.000 0.977 128 T CB 1.883 70.783 68.868 0.053 0.000 0.996 128 T HN 0.450 nan 8.240 nan 0.000 0.448 129 V N 2.228 122.192 119.914 0.084 0.000 2.459 129 V HA 0.772 4.888 4.120 -0.007 0.000 0.295 129 V C 0.752 176.979 176.094 0.222 0.000 1.029 129 V CA -0.743 61.658 62.300 0.169 0.000 0.874 129 V CB 1.700 33.588 31.823 0.107 0.000 0.985 129 V HN 1.035 nan 8.190 nan 0.000 0.438 130 G N 2.930 111.908 108.800 0.298 0.000 2.462 130 G HA2 0.676 4.632 3.960 -0.007 0.000 0.319 130 G HA3 0.676 4.632 3.960 -0.007 0.000 0.319 130 G C -1.453 173.677 174.900 0.383 0.000 1.171 130 G CA -0.487 44.815 45.100 0.335 0.000 0.920 130 G HN 0.613 nan 8.290 nan 0.000 0.499 131 L N 0.968 122.379 121.223 0.314 0.000 2.541 131 L HA 0.498 4.834 4.340 -0.007 0.000 0.266 131 L C 0.291 177.363 176.870 0.337 0.000 0.966 131 L CA -0.472 54.522 54.840 0.257 0.000 0.871 131 L CB 1.716 43.798 42.059 0.037 0.000 1.232 131 L HN 0.752 nan 8.230 nan 0.000 0.408 132 T N 1.688 116.399 114.554 0.262 0.000 2.882 132 T HA 0.752 5.098 4.350 -0.007 0.000 0.287 132 T C -0.499 174.249 174.700 0.080 0.000 0.992 132 T CA -0.679 61.531 62.100 0.183 0.000 1.076 132 T CB 1.693 70.620 68.868 0.099 0.000 0.961 132 T HN 0.632 nan 8.240 nan 0.000 0.490 133 V N 3.480 123.385 119.914 -0.015 0.000 2.851 133 V HA 0.652 4.768 4.120 -0.007 0.000 0.307 133 V C -1.912 174.091 176.094 -0.151 0.000 1.129 133 V CA -1.105 61.121 62.300 -0.124 0.000 0.932 133 V CB 1.703 33.290 31.823 -0.394 0.000 1.024 133 V HN 0.915 nan 8.190 nan 0.000 0.426 134 F N 4.633 124.486 119.950 -0.162 0.000 2.443 134 F HA 0.872 5.396 4.527 -0.005 0.000 0.335 134 F C 0.501 176.243 175.800 -0.096 0.000 1.104 134 F CA -0.199 57.740 58.000 -0.102 0.000 1.013 134 F CB 2.209 41.146 39.000 -0.105 0.000 1.136 134 F HN 0.677 nan 8.300 nan 0.000 0.470 135 A N 3.144 126.027 122.820 0.104 0.000 2.446 135 A HA 0.755 5.071 4.320 -0.007 0.000 0.282 135 A C -1.735 175.916 177.584 0.112 0.000 1.102 135 A CA -0.581 51.529 52.037 0.120 0.000 0.737 135 A CB 0.884 19.959 19.000 0.126 0.000 1.212 135 A HN 0.504 nan 8.150 nan 0.000 0.434 136 V N 2.536 122.500 119.914 0.082 0.000 2.540 136 V HA 0.805 4.920 4.120 -0.007 0.000 0.302 136 V C 1.012 177.176 176.094 0.117 0.000 1.035 136 V CA 0.686 63.031 62.300 0.074 0.000 0.873 136 V CB 0.892 32.736 31.823 0.036 0.000 0.992 136 V HN 2.268 nan 8.190 nan 0.000 0.428 137 G N 4.843 113.715 108.800 0.120 0.000 2.527 137 G HA2 -0.238 3.717 3.960 -0.007 0.000 0.268 137 G HA3 -0.238 3.717 3.960 -0.007 0.000 0.268 137 G C 0.836 175.833 174.900 0.162 0.000 1.175 137 G CA 0.449 45.630 45.100 0.135 0.000 0.962 137 G HN 0.589 nan 8.290 nan 0.000 0.560 138 R N -0.342 120.251 120.500 0.156 0.000 2.241 138 R HA -0.010 4.326 4.340 -0.007 0.000 0.224 138 R C 2.375 178.701 176.300 0.044 0.000 1.101 138 R CA 1.852 57.994 56.100 0.069 0.000 0.995 138 R CB -0.643 29.618 30.300 -0.065 0.000 0.870 138 R HN 0.681 nan 8.270 nan 0.000 0.463 139 Y N 0.367 120.670 120.300 0.004 0.000 2.315 139 Y HA -0.201 4.345 4.550 -0.007 0.000 0.288 139 Y C 2.243 178.203 175.900 0.099 0.000 1.154 139 Y CA 0.842 59.005 58.100 0.105 0.000 1.229 139 Y CB -0.266 38.315 38.460 0.201 0.000 0.980 139 Y HN -0.005 nan 8.280 nan 0.000 0.540 140 I N -0.076 120.624 120.570 0.217 0.000 2.090 140 I HA -0.294 3.872 4.170 -0.007 0.000 0.236 140 I C 2.065 178.232 176.117 0.082 0.000 1.064 140 I CA 1.587 62.969 61.300 0.136 0.000 1.324 140 I CB -0.351 37.709 38.000 0.101 0.000 1.044 140 I HN 0.110 nan 8.210 nan 0.000 0.399 141 E N -0.130 120.106 120.200 0.061 0.000 2.106 141 E HA -0.189 4.157 4.350 -0.007 0.000 0.192 141 E C 2.162 178.720 176.600 -0.070 0.000 0.984 141 E CA 1.059 57.465 56.400 0.009 0.000 0.806 141 E CB -0.230 29.483 29.700 0.021 0.000 0.750 141 E HN 0.505 nan 8.360 nan 0.000 0.458 142 H N -1.845 117.049 119.070 -0.293 0.000 2.363 142 H HA -0.048 4.504 4.556 -0.007 0.000 0.301 142 H C 1.027 176.041 175.328 -0.523 0.000 1.074 142 H CA 1.538 57.223 56.048 -0.605 0.000 1.354 142 H CB 0.277 29.312 29.762 -1.211 0.000 1.397 142 H HN 0.319 nan 8.280 nan 0.000 0.516 143 Y N -1.780 118.604 120.300 0.141 0.000 2.494 143 Y HA -0.001 4.545 4.550 -0.007 0.000 0.271 143 Y C 2.049 178.024 175.900 0.125 0.000 1.113 143 Y CA -0.387 57.786 58.100 0.122 0.000 1.240 143 Y CB 0.267 38.798 38.460 0.119 0.000 1.268 143 Y HN -0.046 nan 8.280 nan 0.000 0.510 144 L N 1.426 122.784 121.223 0.224 0.000 2.017 144 L HA -0.171 4.165 4.340 -0.007 0.000 0.208 144 L C 2.245 179.193 176.870 0.129 0.000 1.073 144 L CA 2.046 56.981 54.840 0.158 0.000 0.745 144 L CB -0.479 41.635 42.059 0.092 0.000 0.894 144 L HN 0.277 nan 8.230 nan 0.000 0.432 145 E N -0.812 119.433 120.200 0.074 0.000 2.077 145 E HA -0.288 4.058 4.350 -0.007 0.000 0.193 145 E C 2.123 178.749 176.600 0.043 0.000 0.989 145 E CA 1.455 57.869 56.400 0.024 0.000 0.800 145 E CB -0.094 29.607 29.700 0.001 0.000 0.746 145 E HN 0.634 nan 8.360 nan 0.000 0.452 146 E N -0.656 119.604 120.200 0.101 0.000 2.106 146 E HA -0.172 4.174 4.350 -0.007 0.000 0.192 146 E C 1.756 178.441 176.600 0.141 0.000 0.984 146 E CA 0.807 57.276 56.400 0.116 0.000 0.806 146 E CB -0.144 29.650 29.700 0.156 0.000 0.750 146 E HN 0.288 nan 8.360 nan 0.000 0.458 147 F N 0.979 120.960 119.950 0.052 0.000 2.075 147 F HA -0.184 4.339 4.527 -0.007 0.000 0.297 147 F C 1.818 177.588 175.800 -0.051 0.000 1.113 147 F CA 1.454 59.477 58.000 0.038 0.000 1.218 147 F CB -0.139 38.871 39.000 0.016 0.000 0.984 147 F HN -0.028 nan 8.300 nan 0.000 0.472 148 L N -0.621 120.582 121.223 -0.034 0.000 2.056 148 L HA -0.203 4.133 4.340 -0.007 0.000 0.207 148 L C 2.351 179.001 176.870 -0.367 0.000 1.078 148 L CA 1.682 56.313 54.840 -0.349 0.000 0.749 148 L CB -1.212 40.674 42.059 -0.289 0.000 0.901 148 L HN 0.143 nan 8.230 nan 0.000 0.433 149 T N -0.572 113.867 114.554 -0.191 0.000 2.720 149 T HA -0.192 4.154 4.350 -0.007 0.000 0.268 149 T C 2.137 176.744 174.700 -0.154 0.000 1.037 149 T CA 1.801 63.815 62.100 -0.144 0.000 1.144 149 T CB -0.241 68.586 68.868 -0.069 0.000 0.864 149 T HN 0.556 nan 8.240 nan 0.000 0.444 150 S N 1.723 117.355 115.700 -0.113 0.000 2.387 150 S HA 0.112 4.578 4.470 -0.007 0.000 0.226 150 S C 2.431 176.904 174.600 -0.212 0.000 1.026 150 S CA 0.817 59.007 58.200 -0.017 0.000 0.972 150 S CB -0.547 62.766 63.200 0.189 0.000 0.814 150 S HN 0.479 nan 8.310 nan 0.000 0.477 151 A N 2.728 125.233 122.820 -0.525 0.000 1.902 151 A HA -0.116 4.200 4.320 -0.007 0.000 0.217 151 A C 2.100 179.450 177.584 -0.389 0.000 1.181 151 A CA 1.841 53.294 52.037 -0.975 0.000 0.623 151 A CB -1.421 16.875 19.000 -1.174 0.000 0.818 151 A HN 0.646 nan 8.150 nan 0.000 0.443 152 N N -0.081 118.460 118.700 -0.264 0.000 2.061 152 N HA -0.232 4.504 4.740 -0.007 0.000 0.193 152 N C 1.710 177.170 175.510 -0.083 0.000 1.030 152 N CA 2.272 55.316 53.050 -0.010 0.000 0.856 152 N CB -0.268 38.184 38.487 -0.058 0.000 1.023 152 N HN 0.567 nan 8.380 nan 0.000 0.424 153 K N -1.705 118.560 120.400 -0.227 0.000 2.103 153 K HA -0.093 4.223 4.320 -0.007 0.000 0.204 153 K C 1.040 177.406 176.600 -0.389 0.000 1.052 153 K CA 1.144 57.213 56.287 -0.364 0.000 0.945 153 K CB 0.033 32.187 32.500 -0.575 0.000 0.722 153 K HN 0.404 nan 8.250 nan 0.000 0.443 154 H N -2.153 116.853 119.070 -0.106 0.000 3.017 154 H HA 0.066 4.618 4.556 -0.006 0.000 0.255 154 H C -0.573 174.718 175.328 -0.061 0.000 0.990 154 H CA -0.256 55.761 56.048 -0.053 0.000 1.205 154 H CB 0.242 30.028 29.762 0.040 0.000 1.460 154 H HN 0.033 nan 8.280 nan 0.000 0.478 155 F N 3.604 123.368 119.950 -0.309 0.000 2.413 155 F HA 0.220 4.743 4.527 -0.007 0.000 0.359 155 F C 0.605 176.373 175.800 -0.053 0.000 1.122 155 F CA -0.600 57.233 58.000 -0.279 0.000 1.160 155 F CB 0.305 38.963 39.000 -0.569 0.000 1.146 155 F HN -0.014 nan 8.300 nan 0.000 0.514 156 M N 5.128 124.464 119.600 -0.440 0.000 2.249 156 M HA -0.183 4.292 4.480 -0.007 0.000 0.198 156 M C -0.558 175.714 176.300 -0.046 0.000 0.394 156 M CA 0.278 55.376 55.300 -0.337 0.000 0.427 156 M CB -2.848 29.394 32.600 -0.596 0.000 1.307 156 M HN 0.174 nan 8.290 nan 0.000 0.924 157 V N 0.431 120.349 119.914 0.006 0.000 2.599 157 V HA 0.359 4.475 4.120 -0.007 0.000 0.300 157 V C 1.723 177.827 176.094 0.017 0.000 1.034 157 V CA 1.708 64.019 62.300 0.019 0.000 1.115 157 V CB 0.921 32.761 31.823 0.028 0.000 0.934 157 V HN 1.013 nan 8.190 nan 0.000 0.485 158 G N 3.410 112.168 108.800 -0.070 0.000 2.175 158 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.244 158 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.244 158 G C 0.044 174.651 174.900 -0.489 0.000 0.982 158 G CA 0.035 44.992 45.100 -0.238 0.000 0.641 158 G HN 0.782 nan 8.290 nan 0.000 0.527 159 H N 0.052 119.094 119.070 -0.045 0.000 2.768 159 H HA 0.402 4.954 4.556 -0.007 0.000 0.371 159 H C -2.710 172.580 175.328 -0.063 0.000 1.151 159 H CA -1.793 54.226 56.048 -0.048 0.000 1.165 159 H CB 2.135 31.855 29.762 -0.069 0.000 1.722 159 H HN 0.015 nan 8.280 nan 0.000 0.543 160 P HA 0.018 nan 4.420 nan 0.000 0.264 160 P C -0.520 176.763 177.300 -0.029 0.000 1.193 160 P CA 0.102 63.202 63.100 -0.001 0.000 0.763 160 P CB 0.650 32.356 31.700 0.011 0.000 0.810 161 V N 5.441 125.286 119.914 -0.114 0.000 2.709 161 V HA 0.442 4.558 4.120 -0.007 0.000 0.308 161 V C -0.025 175.841 176.094 -0.380 0.000 1.062 161 V CA -0.554 61.622 62.300 -0.207 0.000 0.901 161 V CB 2.100 33.774 31.823 -0.249 0.000 1.003 161 V HN 0.339 nan 8.190 nan 0.000 0.425 162 I N 4.386 124.722 120.570 -0.390 0.000 2.418 162 I HA 0.464 4.630 4.170 -0.007 0.000 0.287 162 I C -0.950 174.773 176.117 -0.657 0.000 1.008 162 I CA -0.246 60.742 61.300 -0.519 0.000 1.104 162 I CB 1.509 39.233 38.000 -0.460 0.000 1.264 162 I HN 0.419 nan 8.210 nan 0.000 0.438 163 F N 5.460 125.275 119.950 -0.225 0.000 2.411 163 F HA 0.360 4.883 4.527 -0.007 0.000 0.350 163 F C -0.316 175.376 175.800 -0.180 0.000 1.114 163 F CA -0.580 57.329 58.000 -0.152 0.000 1.135 163 F CB 0.541 39.533 39.000 -0.014 0.000 1.120 163 F HN 0.310 nan 8.300 nan 0.000 0.495 164 Y N 4.299 124.783 120.300 0.307 0.000 2.369 164 Y HA 0.506 5.051 4.550 -0.008 0.000 0.337 164 Y C -0.203 175.766 175.900 0.115 0.000 0.961 164 Y CA -0.776 57.464 58.100 0.233 0.000 1.186 164 Y CB 0.728 39.303 38.460 0.192 0.000 1.139 164 Y HN 0.381 nan 8.280 nan 0.000 0.494 165 I N 4.756 125.476 120.570 0.250 0.000 2.339 165 I HA 0.319 4.485 4.170 -0.007 0.000 0.290 165 I C -0.656 175.467 176.117 0.010 0.000 0.994 165 I CA -0.545 60.804 61.300 0.082 0.000 1.191 165 I CB 1.009 39.075 38.000 0.111 0.000 1.343 165 I HN 0.487 nan 8.210 nan 0.000 0.458 166 M N 8.019 127.480 119.600 -0.232 0.000 2.101 166 M HA 0.492 4.968 4.480 -0.007 0.000 0.340 166 M C -0.561 175.655 176.300 -0.141 0.000 1.057 166 M CA -0.556 54.563 55.300 -0.303 0.000 0.984 166 M CB 1.470 33.496 32.600 -0.958 0.000 1.560 166 M HN 0.390 nan 8.290 nan 0.000 0.435 167 V N 0.170 120.079 119.914 -0.009 0.000 3.040 167 V HA 0.689 4.805 4.120 -0.007 0.000 0.312 167 V C 0.163 176.295 176.094 0.063 0.000 1.115 167 V CA -0.771 61.554 62.300 0.041 0.000 0.998 167 V CB 2.140 33.990 31.823 0.045 0.000 1.042 167 V HN 0.850 nan 8.190 nan 0.000 0.433 168 D N -0.036 120.406 120.400 0.070 0.000 2.333 168 D HA 0.033 4.669 4.640 -0.007 0.000 0.208 168 D C 0.039 176.373 176.300 0.057 0.000 0.984 168 D CA 0.608 54.649 54.000 0.067 0.000 0.873 168 D CB 0.485 41.325 40.800 0.067 0.000 0.935 168 D HN 0.651 nan 8.370 nan 0.000 0.521 169 D N 0.292 120.725 120.400 0.055 0.000 2.402 169 D HA 0.136 4.772 4.640 -0.007 0.000 0.252 169 D C 0.896 177.222 176.300 0.044 0.000 1.294 169 D CA -0.618 53.410 54.000 0.047 0.000 0.948 169 D CB 2.101 42.929 40.800 0.045 0.000 1.202 169 D HN -0.265 nan 8.370 nan 0.000 0.561 170 V N 2.676 122.614 119.914 0.040 0.000 2.809 170 V HA -0.153 3.963 4.120 -0.007 0.000 0.256 170 V C 2.351 178.466 176.094 0.034 0.000 1.080 170 V CA 1.944 64.266 62.300 0.037 0.000 1.102 170 V CB -0.429 31.411 31.823 0.028 0.000 0.705 170 V HN 0.667 nan 8.190 nan 0.000 0.475 171 S N 0.347 116.065 115.700 0.030 0.000 2.507 171 S HA -0.121 4.345 4.470 -0.007 0.000 0.235 171 S C 1.835 176.451 174.600 0.027 0.000 0.988 171 S CA 0.902 59.117 58.200 0.026 0.000 0.944 171 S CB -0.316 62.897 63.200 0.022 0.000 0.762 171 S HN 0.624 nan 8.310 nan 0.000 0.526 172 R N -0.313 120.206 120.500 0.031 0.000 2.362 172 R HA 0.390 4.726 4.340 -0.007 0.000 0.227 172 R C 0.287 176.605 176.300 0.030 0.000 0.905 172 R CA -0.155 55.963 56.100 0.031 0.000 1.067 172 R CB -0.001 30.321 30.300 0.038 0.000 1.078 172 R HN 0.441 nan 8.270 nan 0.000 0.516 173 M N 3.343 122.963 119.600 0.033 0.000 2.356 173 M HA 0.093 4.569 4.480 -0.007 0.000 0.348 173 M C -2.233 174.075 176.300 0.013 0.000 1.595 173 M CA -1.868 53.450 55.300 0.030 0.000 1.095 173 M CB 0.476 33.108 32.600 0.053 0.000 1.963 173 M HN -0.216 nan 8.290 nan 0.000 0.459 174 P HA 0.117 nan 4.420 nan 0.000 0.281 174 P C -1.071 176.189 177.300 -0.067 0.000 1.286 174 P CA 0.145 63.228 63.100 -0.028 0.000 0.772 174 P CB 0.221 31.902 31.700 -0.030 0.000 0.862 175 L N 5.472 126.670 121.223 -0.040 0.000 2.466 175 L HA 0.245 4.581 4.340 -0.007 0.000 0.248 175 L C 1.233 178.059 176.870 -0.072 0.000 1.240 175 L CA -0.882 53.928 54.840 -0.051 0.000 1.180 175 L CB -0.602 41.487 42.059 0.051 0.000 1.413 175 L HN 0.379 nan 8.230 nan 0.000 0.406 176 I N -2.162 118.325 120.570 -0.138 0.000 2.993 176 I HA 0.109 4.275 4.170 -0.007 0.000 0.286 176 I C 0.552 176.617 176.117 -0.087 0.000 1.215 176 I CA -0.247 60.987 61.300 -0.110 0.000 1.393 176 I CB 0.523 38.441 38.000 -0.135 0.000 1.371 176 I HN 0.404 nan 8.210 nan 0.000 0.602 177 E N 4.282 124.453 120.200 -0.048 0.000 2.316 177 E HA 0.372 4.718 4.350 -0.007 0.000 0.275 177 E C -1.187 175.401 176.600 -0.020 0.000 1.029 177 E CA -0.560 55.829 56.400 -0.018 0.000 0.871 177 E CB 0.843 30.538 29.700 -0.009 0.000 1.022 177 E HN 0.567 nan 8.360 nan 0.000 0.418 178 L N 3.373 124.607 121.223 0.018 0.000 2.344 178 L HA 0.532 4.868 4.340 -0.007 0.000 0.272 178 L C 0.857 177.748 176.870 0.035 0.000 1.035 178 L CA -0.772 54.095 54.840 0.045 0.000 0.807 178 L CB 1.633 43.760 42.059 0.113 0.000 1.237 178 L HN 0.673 nan 8.230 nan 0.000 0.442 179 G N 0.960 109.778 108.800 0.030 0.000 2.532 179 G HA2 0.523 4.479 3.960 -0.007 0.000 0.291 179 G HA3 0.523 4.479 3.960 -0.007 0.000 0.291 179 G C -2.664 172.242 174.900 0.009 0.000 1.349 179 G CA -1.269 43.837 45.100 0.010 0.000 1.038 179 G HN 0.343 nan 8.290 nan 0.000 0.518 180 P HA 0.197 nan 4.420 nan 0.000 0.265 180 P C 0.487 177.776 177.300 -0.018 0.000 1.193 180 P CA 0.191 63.284 63.100 -0.011 0.000 0.765 180 P CB 0.431 32.121 31.700 -0.017 0.000 0.823 181 L N -1.197 120.012 121.223 -0.023 0.000 4.696 181 L HA -0.272 4.064 4.340 -0.007 0.000 0.425 181 L C 0.240 177.073 176.870 -0.062 0.000 1.115 181 L CA 0.696 55.514 54.840 -0.037 0.000 0.996 181 L CB -1.253 40.782 42.059 -0.040 0.000 2.077 181 L HN 0.479 nan 8.230 nan 0.000 0.792 182 R N 0.297 120.768 120.500 -0.048 0.000 2.514 182 R HA 0.772 5.108 4.340 -0.007 0.000 0.301 182 R C 0.042 176.324 176.300 -0.029 0.000 0.962 182 R CA 0.387 56.434 56.100 -0.089 0.000 0.882 182 R CB 2.011 32.330 30.300 0.032 0.000 1.143 182 R HN 0.269 nan 8.270 nan 0.000 0.452 183 S N 1.452 117.107 115.700 -0.075 0.000 2.705 183 S HA 0.813 5.279 4.470 -0.007 0.000 0.280 183 S C -1.120 173.569 174.600 0.148 0.000 1.174 183 S CA -0.952 57.288 58.200 0.068 0.000 0.823 183 S CB 1.342 64.530 63.200 -0.019 0.000 1.162 183 S HN 0.545 nan 8.310 nan 0.000 0.487 184 F N -1.120 118.793 119.950 -0.061 0.000 2.711 184 F HA 0.887 5.411 4.527 -0.004 0.000 0.313 184 F C -1.769 173.986 175.800 -0.076 0.000 1.141 184 F CA -1.148 56.824 58.000 -0.046 0.000 0.941 184 F CB 1.361 40.423 39.000 0.103 0.000 1.349 184 F HN 0.938 nan 8.300 nan 0.000 0.464 185 K N 1.059 121.365 120.400 -0.157 0.000 2.527 185 K HA 0.791 5.107 4.320 -0.007 0.000 0.260 185 K C -2.255 174.224 176.600 -0.202 0.000 0.937 185 K CA -1.071 54.986 56.287 -0.384 0.000 0.826 185 K CB 2.624 34.889 32.500 -0.393 0.000 1.359 185 K HN 0.579 nan 8.250 nan 0.000 0.434 186 V N 1.933 121.634 119.914 -0.356 0.000 2.581 186 V HA 0.552 4.668 4.120 -0.007 0.000 0.303 186 V C -1.075 174.715 176.094 -0.507 0.000 1.041 186 V CA -0.701 61.474 62.300 -0.209 0.000 0.907 186 V CB 0.769 32.592 31.823 0.001 0.000 0.994 186 V HN 0.644 nan 8.190 nan 0.000 0.442 187 F N 2.038 121.989 119.950 0.002 0.000 2.520 187 F HA 0.513 5.037 4.527 -0.006 0.000 0.322 187 F C 0.204 176.004 175.800 -0.001 0.000 1.103 187 F CA -0.771 57.234 58.000 0.009 0.000 0.926 187 F CB 1.907 40.921 39.000 0.022 0.000 1.154 187 F HN 0.320 nan 8.300 nan 0.000 0.453 188 K N 5.175 125.691 120.400 0.194 0.000 2.312 188 K HA 0.558 4.874 4.320 -0.007 0.000 0.287 188 K C -0.802 175.879 176.600 0.136 0.000 1.062 188 K CA -0.282 56.081 56.287 0.125 0.000 0.934 188 K CB 0.478 33.030 32.500 0.087 0.000 1.027 188 K HN 0.744 nan 8.250 nan 0.000 0.478 189 I N 0.309 120.944 120.570 0.108 0.000 2.797 189 I HA 0.428 4.594 4.170 -0.007 0.000 0.307 189 I C -0.515 175.653 176.117 0.084 0.000 1.033 189 I CA -1.221 60.143 61.300 0.106 0.000 1.071 189 I CB 1.649 39.727 38.000 0.131 0.000 1.255 189 I HN 0.464 nan 8.210 nan 0.000 0.445 190 K N 4.542 124.985 120.400 0.071 0.000 2.412 190 K HA 0.318 4.634 4.320 -0.007 0.000 0.281 190 K C -2.316 174.316 176.600 0.054 0.000 1.027 190 K CA -1.278 55.041 56.287 0.053 0.000 0.989 190 K CB 0.477 33.000 32.500 0.038 0.000 0.935 190 K HN 0.481 nan 8.250 nan 0.000 0.475 191 P HA 0.109 nan 4.420 nan 0.000 0.282 191 P C -0.997 176.318 177.300 0.025 0.000 1.274 191 P CA -0.201 62.924 63.100 0.041 0.000 0.770 191 P CB 0.933 32.659 31.700 0.044 0.000 0.867 192 E N 2.836 123.043 120.200 0.012 0.000 2.390 192 E HA 0.059 4.405 4.350 -0.007 0.000 0.261 192 E C 0.945 177.541 176.600 -0.007 0.000 1.076 192 E CA -0.232 56.164 56.400 -0.007 0.000 0.905 192 E CB 1.016 30.699 29.700 -0.030 0.000 0.984 192 E HN 0.325 nan 8.360 nan 0.000 0.427 193 K N 1.168 121.558 120.400 -0.016 0.000 2.057 193 K HA -0.069 4.247 4.320 -0.007 0.000 0.206 193 K C 0.571 177.160 176.600 -0.019 0.000 1.050 193 K CA 1.123 57.404 56.287 -0.010 0.000 0.935 193 K CB 0.156 32.646 32.500 -0.017 0.000 0.715 193 K HN 0.241 nan 8.250 nan 0.000 0.439 194 R N 0.550 121.006 120.500 -0.074 0.000 2.368 194 R HA 0.080 4.416 4.340 -0.007 0.000 0.302 194 R C 0.940 177.143 176.300 -0.161 0.000 1.002 194 R CA -0.461 55.548 56.100 -0.151 0.000 0.929 194 R CB 0.617 30.755 30.300 -0.271 0.000 1.073 194 R HN 0.350 nan 8.270 nan 0.000 0.464 195 W N 3.219 124.453 121.300 -0.109 0.000 2.350 195 W HA -0.235 4.420 4.660 -0.007 0.000 0.289 195 W C 0.390 176.779 176.519 -0.217 0.000 1.215 195 W CA 0.832 58.087 57.345 -0.151 0.000 1.236 195 W CB -0.325 29.059 29.460 -0.127 0.000 1.130 195 W HN 0.570 nan 8.180 nan 0.000 0.541 196 Q N 1.156 120.284 119.800 -1.120 0.000 2.084 196 Q HA -0.167 4.169 4.340 -0.007 0.000 0.202 196 Q C 1.833 177.537 176.000 -0.494 0.000 0.978 196 Q CA 2.360 57.468 55.803 -1.158 0.000 0.844 196 Q CB -0.574 27.355 28.738 -1.349 0.000 0.898 196 Q HN 0.216 nan 8.270 nan 0.000 0.426 197 D N -0.182 120.011 120.400 -0.345 0.000 2.183 197 D HA -0.039 4.597 4.640 -0.007 0.000 0.203 197 D C 1.803 178.027 176.300 -0.128 0.000 0.969 197 D CA 0.647 54.540 54.000 -0.179 0.000 0.842 197 D CB 0.045 40.765 40.800 -0.133 0.000 0.957 197 D HN 0.264 nan 8.370 nan 0.000 0.484 198 I N 0.517 121.014 120.570 -0.123 0.000 2.163 198 I HA -0.273 3.893 4.170 -0.007 0.000 0.243 198 I C 2.570 178.585 176.117 -0.170 0.000 1.085 198 I CA 0.882 62.116 61.300 -0.110 0.000 1.347 198 I CB -0.285 37.668 38.000 -0.079 0.000 1.044 198 I HN -0.067 nan 8.210 nan 0.000 0.408 199 S N 0.544 116.164 115.700 -0.133 0.000 2.356 199 S HA -0.175 4.291 4.470 -0.007 0.000 0.223 199 S C 2.112 176.632 174.600 -0.133 0.000 1.032 199 S CA 1.498 59.626 58.200 -0.119 0.000 1.005 199 S CB -0.125 63.080 63.200 0.009 0.000 0.867 199 S HN 0.281 nan 8.310 nan 0.000 0.449 200 M N 0.041 119.584 119.600 -0.095 0.000 2.236 200 M HA 0.050 4.526 4.480 -0.007 0.000 0.266 200 M C 2.136 178.426 176.300 -0.015 0.000 1.070 200 M CA 0.907 56.191 55.300 -0.027 0.000 1.137 200 M CB -0.262 32.339 32.600 0.000 0.000 1.378 200 M HN 0.319 nan 8.290 nan 0.000 0.426 201 M N -0.017 119.542 119.600 -0.069 0.000 2.358 201 M HA -0.140 4.336 4.480 -0.007 0.000 0.264 201 M C 1.914 178.028 176.300 -0.310 0.000 1.064 201 M CA 1.511 56.733 55.300 -0.129 0.000 1.093 201 M CB -0.955 31.590 32.600 -0.092 0.000 1.401 201 M HN 0.255 nan 8.290 nan 0.000 0.440 202 R N -0.577 119.652 120.500 -0.452 0.000 2.133 202 R HA -0.198 4.138 4.340 -0.007 0.000 0.247 202 R C 2.076 178.175 176.300 -0.334 0.000 1.151 202 R CA 1.293 56.941 56.100 -0.754 0.000 0.971 202 R CB -0.323 29.398 30.300 -0.966 0.000 0.866 202 R HN 0.331 nan 8.270 nan 0.000 0.447 203 M N 0.682 120.145 119.600 -0.229 0.000 2.086 203 M HA -0.172 4.304 4.480 -0.007 0.000 0.261 203 M C 2.185 178.300 176.300 -0.309 0.000 1.067 203 M CA 1.610 56.818 55.300 -0.154 0.000 1.116 203 M CB -0.811 31.769 32.600 -0.033 0.000 1.348 203 M HN 0.087 nan 8.290 nan 0.000 0.407 204 K N -0.228 119.748 120.400 -0.707 0.000 2.002 204 K HA -0.132 4.184 4.320 -0.007 0.000 0.209 204 K C 1.846 178.218 176.600 -0.379 0.000 1.048 204 K CA 1.946 57.700 56.287 -0.887 0.000 0.930 204 K CB -0.020 31.569 32.500 -1.518 0.000 0.714 204 K HN 0.259 nan 8.250 nan 0.000 0.438 205 T N 1.715 116.138 114.554 -0.219 0.000 2.746 205 T HA -0.105 4.241 4.350 -0.007 0.000 0.267 205 T C 1.902 176.676 174.700 0.123 0.000 1.039 205 T CA 1.501 63.621 62.100 0.034 0.000 1.142 205 T CB -0.183 68.838 68.868 0.256 0.000 0.866 205 T HN 0.192 nan 8.240 nan 0.000 0.444 206 I N 1.344 121.972 120.570 0.097 0.000 2.163 206 I HA -0.142 4.024 4.170 -0.007 0.000 0.243 206 I C 2.933 179.020 176.117 -0.050 0.000 1.085 206 I CA 1.407 62.736 61.300 0.049 0.000 1.347 206 I CB -0.833 37.213 38.000 0.075 0.000 1.044 206 I HN 0.322 nan 8.210 nan 0.000 0.408 207 G N 0.373 109.121 108.800 -0.088 0.000 2.446 207 G HA2 -0.255 3.701 3.960 -0.007 0.000 0.217 207 G HA3 -0.255 3.701 3.960 -0.007 0.000 0.217 207 G C 1.496 176.307 174.900 -0.149 0.000 1.168 207 G CA 0.821 45.849 45.100 -0.121 0.000 0.771 207 G HN 0.436 nan 8.290 nan 0.000 0.551 208 E N -0.266 119.838 120.200 -0.160 0.000 2.085 208 E HA -0.147 4.199 4.350 -0.007 0.000 0.194 208 E C 2.278 178.691 176.600 -0.311 0.000 0.994 208 E CA 1.006 57.275 56.400 -0.219 0.000 0.801 208 E CB -0.245 29.311 29.700 -0.240 0.000 0.743 208 E HN 0.531 nan 8.360 nan 0.000 0.453 209 H N 0.135 119.015 119.070 -0.316 0.000 2.423 209 H HA -0.036 4.515 4.556 -0.007 0.000 0.297 209 H C 2.294 177.216 175.328 -0.677 0.000 1.075 209 H CA 0.946 56.681 56.048 -0.522 0.000 1.342 209 H CB 0.048 29.462 29.762 -0.580 0.000 1.395 209 H HN 0.180 nan 8.280 nan 0.000 0.530 210 I N 0.186 120.544 120.570 -0.354 0.000 2.142 210 I HA -0.251 3.915 4.170 -0.007 0.000 0.240 210 I C 2.522 178.448 176.117 -0.319 0.000 1.078 210 I CA 0.901 61.996 61.300 -0.342 0.000 1.343 210 I CB -0.223 37.642 38.000 -0.224 0.000 1.046 210 I HN -0.002 nan 8.210 nan 0.000 0.405 211 V N 0.934 120.700 119.914 -0.246 0.000 2.295 211 V HA -0.285 3.830 4.120 -0.007 0.000 0.246 211 V C 2.697 178.697 176.094 -0.156 0.000 1.049 211 V CA 1.990 64.175 62.300 -0.191 0.000 1.024 211 V CB -1.083 30.659 31.823 -0.135 0.000 0.648 211 V HN 0.496 nan 8.190 nan 0.000 0.447 212 A N 0.377 123.097 122.820 -0.166 0.000 1.883 212 A HA -0.236 4.080 4.320 -0.007 0.000 0.217 212 A C 1.974 179.620 177.584 0.103 0.000 1.186 212 A CA 2.776 54.783 52.037 -0.049 0.000 0.624 212 A CB -0.449 18.497 19.000 -0.090 0.000 0.822 212 A HN 0.967 nan 8.150 nan 0.000 0.444 213 H N -5.060 113.986 119.070 -0.040 0.000 2.612 213 H HA 0.326 4.879 4.556 -0.005 0.000 0.193 213 H C 1.508 176.826 175.328 -0.017 0.000 0.875 213 H CA 0.156 56.241 56.048 0.062 0.000 0.923 213 H CB -0.354 29.472 29.762 0.107 0.000 1.170 213 H HN 0.185 nan 8.280 nan 0.000 0.459 214 I N 2.357 122.593 120.570 -0.557 0.000 2.264 214 I HA -0.279 3.887 4.170 -0.007 0.000 0.248 214 I C 2.489 178.493 176.117 -0.187 0.000 1.111 214 I CA 2.094 63.187 61.300 -0.346 0.000 1.382 214 I CB -0.408 37.253 38.000 -0.565 0.000 1.060 214 I HN 0.515 nan 8.210 nan 0.000 0.418 215 Q N 0.309 119.923 119.800 -0.311 0.000 2.291 215 Q HA -0.215 4.121 4.340 -0.007 0.000 0.206 215 Q C 1.544 177.369 176.000 -0.291 0.000 0.976 215 Q CA 1.509 57.112 55.803 -0.333 0.000 0.875 215 Q CB -0.355 28.118 28.738 -0.441 0.000 0.927 215 Q HN 0.587 nan 8.270 nan 0.000 0.450 216 H N -0.099 118.968 119.070 -0.006 0.000 2.575 216 H HA 0.210 4.762 4.556 -0.006 0.000 0.267 216 H C 0.689 176.046 175.328 0.048 0.000 0.966 216 H CA 0.746 56.806 56.048 0.020 0.000 1.165 216 H CB 0.634 30.417 29.762 0.035 0.000 1.433 216 H HN 0.553 nan 8.280 nan 0.000 0.544 217 E N 0.521 120.817 120.200 0.160 0.000 2.399 217 E HA 0.104 4.449 4.350 -0.007 0.000 0.205 217 E C 0.440 177.120 176.600 0.133 0.000 0.906 217 E CA 0.114 56.622 56.400 0.180 0.000 0.998 217 E CB 1.390 31.270 29.700 0.299 0.000 1.002 217 E HN 0.122 nan 8.360 nan 0.000 0.501 218 V N -1.926 118.044 119.914 0.094 0.000 3.078 218 V HA 0.344 4.460 4.120 -0.007 0.000 0.311 218 V C -0.298 175.772 176.094 -0.041 0.000 1.138 218 V CA -0.831 61.508 62.300 0.065 0.000 1.007 218 V CB 2.261 34.168 31.823 0.140 0.000 1.045 218 V HN -0.128 nan 8.190 nan 0.000 0.432 219 D N 0.831 121.176 120.400 -0.092 0.000 2.277 219 D HA 0.220 4.856 4.640 -0.007 0.000 0.209 219 D C -0.283 175.601 176.300 -0.693 0.000 0.970 219 D CA 1.541 55.327 54.000 -0.358 0.000 0.874 219 D CB 0.527 41.135 40.800 -0.320 0.000 0.982 219 D HN 0.517 nan 8.370 nan 0.000 0.504 220 F N 0.091 120.016 119.950 -0.043 0.000 2.599 220 F HA 0.459 4.982 4.527 -0.007 0.000 0.311 220 F C -0.645 175.144 175.800 -0.020 0.000 1.076 220 F CA -1.187 56.767 58.000 -0.077 0.000 0.937 220 F CB 2.232 41.150 39.000 -0.138 0.000 1.282 220 F HN -0.326 nan 8.300 nan 0.000 0.460 221 L N 2.134 123.422 121.223 0.108 0.000 2.436 221 L HA 0.677 5.013 4.340 -0.007 0.000 0.268 221 L C -1.930 174.901 176.870 -0.064 0.000 0.974 221 L CA -0.381 54.520 54.840 0.101 0.000 0.826 221 L CB 1.398 43.485 42.059 0.046 0.000 1.291 221 L HN 0.454 nan 8.230 nan 0.000 0.406 222 F N 3.136 123.188 119.950 0.170 0.000 2.450 222 F HA 0.580 5.103 4.527 -0.007 0.000 0.332 222 F C -0.156 175.581 175.800 -0.105 0.000 1.093 222 F CA -0.215 57.816 58.000 0.052 0.000 1.003 222 F CB 1.645 40.743 39.000 0.163 0.000 1.151 222 F HN 0.396 nan 8.300 nan 0.000 0.474 223 C N 4.918 124.111 119.300 -0.178 0.000 2.301 223 C HA 0.729 5.185 4.460 -0.007 0.000 0.323 223 C C -0.174 174.630 174.990 -0.310 0.000 1.265 223 C CA -1.044 57.745 59.018 -0.382 0.000 1.503 223 C CB -0.217 26.965 27.740 -0.931 0.000 2.195 223 C HN 0.696 nan 8.230 nan 0.000 0.477 224 M N 1.856 121.383 119.600 -0.123 0.000 2.530 224 M HA 0.347 4.823 4.480 -0.007 0.000 0.307 224 M C -0.949 175.248 176.300 -0.171 0.000 1.161 224 M CA -0.450 54.786 55.300 -0.107 0.000 0.903 224 M CB 1.817 34.419 32.600 0.002 0.000 1.711 224 M HN 0.541 nan 8.290 nan 0.000 0.451 225 D N 0.969 121.258 120.400 -0.184 0.000 2.400 225 D HA 0.022 4.658 4.640 -0.007 0.000 0.238 225 D C 0.585 176.663 176.300 -0.370 0.000 1.157 225 D CA 0.068 53.939 54.000 -0.215 0.000 0.889 225 D CB 1.412 42.085 40.800 -0.211 0.000 1.199 225 D HN 0.316 nan 8.370 nan 0.000 0.436 226 V N 1.230 120.950 119.914 -0.322 0.000 2.878 226 V HA -0.089 4.027 4.120 -0.007 0.000 0.250 226 V C 0.539 176.535 176.094 -0.163 0.000 1.075 226 V CA 0.873 62.932 62.300 -0.400 0.000 1.096 226 V CB -0.187 31.554 31.823 -0.137 0.000 0.724 226 V HN 0.569 nan 8.190 nan 0.000 0.467 227 D N 1.863 122.103 120.400 -0.267 0.000 3.032 227 D HA 0.083 4.719 4.640 -0.007 0.000 0.241 227 D C 0.166 176.292 176.300 -0.291 0.000 1.196 227 D CA -0.100 53.522 54.000 -0.630 0.000 0.927 227 D CB -0.261 40.053 40.800 -0.811 0.000 1.129 227 D HN 0.774 nan 8.370 nan 0.000 0.458 228 Q N -1.885 117.884 119.800 -0.052 0.000 2.633 228 Q HA 0.596 4.932 4.340 -0.007 0.000 0.289 228 Q C -1.846 174.241 176.000 0.145 0.000 0.940 228 Q CA -1.189 54.645 55.803 0.051 0.000 0.785 228 Q CB 1.542 30.272 28.738 -0.015 0.000 1.467 228 Q HN -0.051 nan 8.270 nan 0.000 0.401 229 V N 1.369 121.333 119.914 0.083 0.000 2.686 229 V HA 0.451 4.567 4.120 -0.007 0.000 0.306 229 V C -0.941 175.163 176.094 0.015 0.000 1.065 229 V CA -0.701 61.652 62.300 0.088 0.000 0.894 229 V CB 1.507 33.426 31.823 0.160 0.000 1.004 229 V HN 0.698 nan 8.190 nan 0.000 0.424 230 F N 3.287 123.234 119.950 -0.005 0.000 2.538 230 F HA 0.220 4.744 4.527 -0.006 0.000 0.371 230 F C 1.503 177.331 175.800 0.047 0.000 1.087 230 F CA 0.443 58.463 58.000 0.034 0.000 1.250 230 F CB 0.777 39.813 39.000 0.059 0.000 1.110 230 F HN 0.503 nan 8.300 nan 0.000 0.570 231 Q N 0.789 120.622 119.800 0.054 0.000 2.322 231 Q HA 0.174 4.510 4.340 -0.007 0.000 0.250 231 Q C -0.133 175.617 176.000 -0.417 0.000 0.853 231 Q CA 0.470 56.237 55.803 -0.060 0.000 0.951 231 Q CB 0.965 29.749 28.738 0.078 0.000 1.114 231 Q HN 0.656 nan 8.270 nan 0.000 0.523 232 D N -0.521 119.537 120.400 -0.568 0.000 2.768 232 D HA 0.151 4.787 4.640 -0.007 0.000 0.327 232 D C -0.895 175.281 176.300 -0.207 0.000 1.302 232 D CA -0.510 53.192 54.000 -0.497 0.000 0.897 232 D CB 1.392 42.104 40.800 -0.146 0.000 1.420 232 D HN -0.335 nan 8.370 nan 0.000 0.494 233 K N 0.936 121.364 120.400 0.047 0.000 2.491 233 K HA 0.060 4.376 4.320 -0.007 0.000 0.279 233 K C -0.311 176.408 176.600 0.198 0.000 1.026 233 K CA 0.391 56.787 56.287 0.182 0.000 1.070 233 K CB -0.352 32.243 32.500 0.159 0.000 0.887 233 K HN 0.317 nan 8.250 nan 0.000 0.481 234 F N 2.551 122.583 119.950 0.137 0.000 2.451 234 F HA 0.344 4.867 4.527 -0.006 0.000 0.367 234 F C 0.520 176.300 175.800 -0.032 0.000 1.100 234 F CA -0.458 57.657 58.000 0.191 0.000 1.171 234 F CB 0.695 39.977 39.000 0.470 0.000 1.405 234 F HN 0.561 nan 8.300 nan 0.000 0.482 235 G N 1.447 110.247 108.800 0.002 0.000 2.971 235 G HA2 0.331 4.287 3.960 -0.007 0.000 0.235 235 G HA3 0.331 4.287 3.960 -0.007 0.000 0.235 235 G C 0.748 175.499 174.900 -0.249 0.000 1.351 235 G CA -0.107 44.924 45.100 -0.115 0.000 1.039 235 G HN 0.488 nan 8.290 nan 0.000 0.563 236 V N -0.601 119.152 119.914 -0.268 0.000 3.026 236 V HA -0.056 4.060 4.120 -0.007 0.000 0.265 236 V C 2.187 178.037 176.094 -0.406 0.000 1.121 236 V CA 2.253 64.319 62.300 -0.390 0.000 1.142 236 V CB -0.651 30.977 31.823 -0.324 0.000 0.730 236 V HN 0.726 nan 8.190 nan 0.000 0.503 237 E N 2.714 122.670 120.200 -0.408 0.000 2.409 237 E HA -0.203 4.143 4.350 -0.007 0.000 0.198 237 E C 1.802 178.065 176.600 -0.561 0.000 1.024 237 E CA 1.700 57.770 56.400 -0.550 0.000 0.861 237 E CB -0.810 28.590 29.700 -0.500 0.000 0.788 237 E HN 0.817 nan 8.360 nan 0.000 0.521 238 T N -1.282 112.985 114.554 -0.479 0.000 3.081 238 T HA 0.244 4.590 4.350 -0.007 0.000 0.250 238 T C 1.114 175.738 174.700 -0.127 0.000 1.100 238 T CA -0.346 61.537 62.100 -0.362 0.000 1.038 238 T CB -0.219 68.394 68.868 -0.425 0.000 0.962 238 T HN 0.008 nan 8.240 nan 0.000 0.516 239 L N 1.524 122.531 121.223 -0.360 0.000 2.417 239 L HA 0.678 5.014 4.340 -0.007 0.000 0.268 239 L C 0.911 177.465 176.870 -0.526 0.000 1.158 239 L CA -0.174 54.297 54.840 -0.615 0.000 0.819 239 L CB 0.834 42.144 42.059 -1.249 0.000 1.112 239 L HN 0.456 nan 8.230 nan 0.000 0.458 240 G N 0.824 109.374 108.800 -0.416 0.000 2.441 240 G HA2 0.154 4.110 3.960 -0.007 0.000 0.294 240 G HA3 0.154 4.110 3.960 -0.007 0.000 0.294 240 G C -0.124 174.884 174.900 0.180 0.000 1.393 240 G CA -0.431 44.631 45.100 -0.063 0.000 0.796 240 G HN 0.425 nan 8.290 nan 0.000 0.494 241 E N -0.379 119.941 120.200 0.201 0.000 2.038 241 E HA -0.050 4.296 4.350 -0.007 0.000 0.195 241 E C 1.281 177.969 176.600 0.147 0.000 1.000 241 E CA 1.926 58.441 56.400 0.191 0.000 0.803 241 E CB -0.153 29.637 29.700 0.151 0.000 0.750 241 E HN 0.643 nan 8.360 nan 0.000 0.448 242 S N -0.373 115.406 115.700 0.132 0.000 2.619 242 S HA 0.534 5.000 4.470 -0.007 0.000 0.280 242 S C -0.584 174.064 174.600 0.080 0.000 1.150 242 S CA -0.973 57.321 58.200 0.157 0.000 0.978 242 S CB 2.143 65.505 63.200 0.269 0.000 1.041 242 S HN -0.100 nan 8.310 nan 0.000 0.485 243 V N 2.037 121.988 119.914 0.062 0.000 2.487 243 V HA 0.895 5.011 4.120 -0.007 0.000 0.298 243 V C 0.289 176.371 176.094 -0.020 0.000 1.028 243 V CA -0.453 61.843 62.300 -0.006 0.000 0.860 243 V CB 1.188 33.025 31.823 0.024 0.000 0.991 243 V HN 1.246 nan 8.190 nan 0.000 0.427 244 A N 3.683 126.341 122.820 -0.269 0.000 2.354 244 A HA 0.914 5.230 4.320 -0.007 0.000 0.321 244 A C -0.806 176.759 177.584 -0.032 0.000 1.125 244 A CA -0.717 51.086 52.037 -0.391 0.000 0.799 244 A CB 1.925 20.097 19.000 -1.379 0.000 1.293 244 A HN 0.747 nan 8.150 nan 0.000 0.452 245 Q N 0.754 120.650 119.800 0.160 0.000 2.333 245 Q HA 0.597 4.933 4.340 -0.007 0.000 0.267 245 Q C -1.599 174.589 176.000 0.313 0.000 1.012 245 Q CA -0.225 55.715 55.803 0.228 0.000 0.824 245 Q CB 1.143 30.057 28.738 0.293 0.000 1.290 245 Q HN 0.635 nan 8.270 nan 0.000 0.449 246 L N 3.632 124.971 121.223 0.193 0.000 2.418 246 L HA 0.218 4.554 4.340 -0.007 0.000 0.274 246 L C 0.545 177.594 176.870 0.298 0.000 1.135 246 L CA -0.294 54.665 54.840 0.198 0.000 0.870 246 L CB 0.813 42.917 42.059 0.075 0.000 1.154 246 L HN 0.579 nan 8.230 nan 0.000 0.462 247 Q N 2.110 122.127 119.800 0.362 0.000 2.289 247 Q HA 0.051 4.387 4.340 -0.007 0.000 0.273 247 Q C 0.815 177.066 176.000 0.418 0.000 1.029 247 Q CA 0.247 56.288 55.803 0.397 0.000 0.896 247 Q CB 1.673 30.715 28.738 0.508 0.000 1.182 247 Q HN 0.832 nan 8.270 nan 0.000 0.385 248 A N 4.278 127.293 122.820 0.324 0.000 1.948 248 A HA -0.196 4.120 4.320 -0.007 0.000 0.220 248 A C 1.351 178.938 177.584 0.005 0.000 1.177 248 A CA 1.340 53.428 52.037 0.087 0.000 0.636 248 A CB -0.557 18.151 19.000 -0.486 0.000 0.815 248 A HN 0.907 nan 8.150 nan 0.000 0.449 249 W N -2.455 118.769 121.300 -0.126 0.000 2.584 249 W HA 0.072 4.728 4.660 -0.007 0.000 0.264 249 W C 1.417 177.666 176.519 -0.451 0.000 1.264 249 W CA 0.250 57.347 57.345 -0.412 0.000 1.306 249 W CB -0.232 28.813 29.460 -0.691 0.000 1.110 249 W HN 0.514 nan 8.180 nan 0.000 0.606 250 W N -1.598 119.893 121.300 0.318 0.000 3.008 250 W HA 0.133 4.789 4.660 -0.007 0.000 0.355 250 W C 1.804 178.520 176.519 0.329 0.000 1.095 250 W CA -0.487 57.012 57.345 0.257 0.000 1.738 250 W CB -0.973 28.539 29.460 0.088 0.000 1.091 250 W HN -0.009 nan 8.180 nan 0.000 0.574 251 Y N 0.464 121.008 120.300 0.407 0.000 2.333 251 Y HA 0.000 4.546 4.550 -0.007 0.000 0.290 251 Y C 1.602 177.756 175.900 0.424 0.000 1.144 251 Y CA 1.376 59.724 58.100 0.413 0.000 1.228 251 Y CB -0.558 38.113 38.460 0.352 0.000 0.985 251 Y HN -0.156 nan 8.280 nan 0.000 0.542 252 K N 0.872 121.121 120.400 -0.252 0.000 2.374 252 K HA 0.380 4.696 4.320 -0.007 0.000 0.196 252 K C 0.646 177.278 176.600 0.054 0.000 1.023 252 K CA 0.251 56.428 56.287 -0.183 0.000 1.103 252 K CB 0.322 32.578 32.500 -0.407 0.000 0.848 252 K HN 0.329 nan 8.250 nan 0.000 0.528 253 A N 1.779 124.741 122.820 0.235 0.000 2.351 253 A HA 0.040 4.356 4.320 -0.007 0.000 0.257 253 A C -0.223 177.400 177.584 0.066 0.000 1.087 253 A CA -0.406 51.780 52.037 0.248 0.000 0.798 253 A CB 0.307 19.640 19.000 0.554 0.000 1.033 253 A HN 0.166 nan 8.150 nan 0.000 0.488 254 D N 1.528 121.872 120.400 -0.092 0.000 2.390 254 D HA 0.145 4.781 4.640 -0.007 0.000 0.249 254 D C -1.571 174.295 176.300 -0.724 0.000 1.144 254 D CA -1.395 52.449 54.000 -0.259 0.000 0.880 254 D CB 1.124 41.840 40.800 -0.140 0.000 1.182 254 D HN 0.105 nan 8.370 nan 0.000 0.451 255 P HA -0.155 nan 4.420 nan 0.000 0.217 255 P C 0.703 177.520 177.300 -0.806 0.000 1.148 255 P CA 1.088 63.321 63.100 -1.445 0.000 0.834 255 P CB 0.201 31.647 31.700 -0.425 0.000 0.783 256 N N -1.031 117.469 118.700 -0.333 0.000 2.521 256 N HA -0.062 4.674 4.740 -0.007 0.000 0.188 256 N C 0.486 176.017 175.510 0.034 0.000 1.146 256 N CA 0.796 53.855 53.050 0.013 0.000 0.893 256 N CB -0.219 38.335 38.487 0.112 0.000 0.975 256 N HN 0.245 nan 8.380 nan 0.000 0.451 257 D N -0.161 120.143 120.400 -0.161 0.000 2.360 257 D HA 0.093 4.729 4.640 -0.007 0.000 0.210 257 D C 0.397 176.598 176.300 -0.165 0.000 1.047 257 D CA -0.103 53.877 54.000 -0.034 0.000 0.854 257 D CB 0.136 40.993 40.800 0.095 0.000 0.936 257 D HN 0.168 nan 8.370 nan 0.000 0.514 258 F N 1.590 121.278 119.950 -0.436 0.000 2.553 258 F HA -0.021 4.502 4.527 -0.006 0.000 0.356 258 F C 1.792 177.031 175.800 -0.935 0.000 1.142 258 F CA -0.099 57.314 58.000 -0.978 0.000 1.322 258 F CB 0.621 38.927 39.000 -1.158 0.000 1.126 258 F HN -0.187 nan 8.300 nan 0.000 0.599 259 T N 0.498 114.404 114.554 -1.080 0.000 3.467 259 T HA 0.185 4.531 4.350 -0.007 0.000 0.232 259 T C -0.152 174.520 174.700 -0.047 0.000 0.876 259 T CA -0.372 61.427 62.100 -0.502 0.000 0.939 259 T CB -1.278 67.325 68.868 -0.441 0.000 1.165 259 T HN 0.347 nan 8.240 nan 0.000 0.615 260 Y N 1.016 121.336 120.300 0.034 0.000 2.511 260 Y HA 0.158 4.704 4.550 -0.007 0.000 0.347 260 Y C 1.186 177.103 175.900 0.029 0.000 1.257 260 Y CA -1.143 57.018 58.100 0.102 0.000 1.469 260 Y CB 0.450 38.910 38.460 -0.001 0.000 1.353 260 Y HN 0.262 nan 8.280 nan 0.000 0.617 261 E N 1.915 122.229 120.200 0.190 0.000 2.351 261 E HA -0.006 4.340 4.350 -0.007 0.000 0.266 261 E C -0.045 176.606 176.600 0.085 0.000 1.031 261 E CA 0.062 56.510 56.400 0.079 0.000 0.911 261 E CB 0.492 30.189 29.700 -0.005 0.000 0.986 261 E HN 0.389 nan 8.360 nan 0.000 0.446 262 R N 3.804 124.362 120.500 0.096 0.000 2.437 262 R HA 0.199 4.535 4.340 -0.007 0.000 0.257 262 R C -0.104 176.354 176.300 0.264 0.000 0.927 262 R CA -0.058 56.121 56.100 0.133 0.000 1.078 262 R CB 0.171 30.460 30.300 -0.018 0.000 1.161 262 R HN 0.388 nan 8.270 nan 0.000 0.529 263 R N 1.812 122.395 120.500 0.138 0.000 2.221 263 R HA 0.116 4.452 4.340 -0.007 0.000 0.327 263 R C 1.216 177.361 176.300 -0.259 0.000 1.033 263 R CA -0.122 55.952 56.100 -0.043 0.000 0.887 263 R CB 0.947 31.222 30.300 -0.042 0.000 1.057 263 R HN 0.087 nan 8.270 nan 0.000 0.455 264 K N 1.540 121.532 120.400 -0.680 0.000 2.360 264 K HA -0.145 4.170 4.320 -0.007 0.000 0.201 264 K C 0.337 176.701 176.600 -0.393 0.000 1.046 264 K CA 1.301 56.978 56.287 -1.018 0.000 0.945 264 K CB 0.216 32.137 32.500 -0.965 0.000 0.750 264 K HN 0.418 nan 8.250 nan 0.000 0.464 265 E N 1.345 121.406 120.200 -0.232 0.000 2.347 265 E HA -0.008 4.338 4.350 -0.007 0.000 0.196 265 E C 0.390 176.943 176.600 -0.079 0.000 1.008 265 E CA 0.356 56.679 56.400 -0.128 0.000 0.852 265 E CB 0.298 29.940 29.700 -0.097 0.000 0.783 265 E HN 0.267 nan 8.360 nan 0.000 0.505 266 S N -0.580 115.082 115.700 -0.064 0.000 2.554 266 S HA 0.465 4.931 4.470 -0.007 0.000 0.278 266 S C 1.160 175.770 174.600 0.017 0.000 1.242 266 S CA -0.090 58.099 58.200 -0.018 0.000 1.051 266 S CB 1.329 64.511 63.200 -0.031 0.000 0.986 266 S HN 0.182 nan 8.310 nan 0.000 0.502 267 A N 3.886 126.731 122.820 0.042 0.000 2.070 267 A HA 0.143 4.459 4.320 -0.007 0.000 0.220 267 A C 1.950 179.556 177.584 0.036 0.000 1.159 267 A CA 1.591 53.667 52.037 0.064 0.000 0.656 267 A CB -0.871 18.195 19.000 0.110 0.000 0.800 267 A HN 1.183 nan 8.150 nan 0.000 0.453 268 A N -1.854 120.916 122.820 -0.084 0.000 2.251 268 A HA 0.303 4.619 4.320 -0.007 0.000 0.209 268 A C 0.628 178.153 177.584 -0.099 0.000 1.187 268 A CA -0.425 51.488 52.037 -0.207 0.000 0.823 268 A CB -0.565 18.074 19.000 -0.602 0.000 0.846 268 A HN 0.511 nan 8.150 nan 0.000 0.486 269 Y N 0.911 121.126 120.300 -0.142 0.000 2.805 269 Y HA 0.260 4.806 4.550 -0.007 0.000 0.331 269 Y C -0.311 175.496 175.900 -0.155 0.000 1.241 269 Y CA -0.073 57.951 58.100 -0.126 0.000 1.546 269 Y CB -0.094 38.310 38.460 -0.092 0.000 1.248 269 Y HN 0.226 nan 8.280 nan 0.000 0.559 270 I N 9.699 129.837 120.570 -0.720 0.000 2.439 270 I HA 0.311 4.477 4.170 -0.007 0.000 0.285 270 I C -2.351 173.186 176.117 -0.966 0.000 1.021 270 I CA -2.308 58.505 61.300 -0.811 0.000 1.091 270 I CB 1.816 39.373 38.000 -0.739 0.000 1.242 270 I HN 0.516 nan 8.210 nan 0.000 0.439 271 P HA 0.105 nan 4.420 nan 0.000 0.269 271 P C -0.536 176.604 177.300 -0.267 0.000 1.215 271 P CA -0.075 62.706 63.100 -0.532 0.000 0.780 271 P CB 0.350 31.920 31.700 -0.218 0.000 0.898 272 F N 0.760 120.706 119.950 -0.007 0.000 2.563 272 F HA 0.271 4.794 4.527 -0.007 0.000 0.363 272 F C 2.019 177.821 175.800 0.004 0.000 1.123 272 F CA 1.784 59.794 58.000 0.017 0.000 1.307 272 F CB -0.339 38.678 39.000 0.028 0.000 1.115 272 F HN 0.659 nan 8.300 nan 0.000 0.592 273 G N 1.246 110.160 108.800 0.190 0.000 2.175 273 G HA2 -0.232 3.724 3.960 -0.007 0.000 0.244 273 G HA3 -0.232 3.724 3.960 -0.007 0.000 0.244 273 G C -0.162 174.772 174.900 0.057 0.000 0.982 273 G CA -0.173 44.986 45.100 0.098 0.000 0.641 273 G HN 0.596 nan 8.290 nan 0.000 0.527 274 E N -0.587 119.641 120.200 0.047 0.000 2.277 274 E HA 0.612 4.957 4.350 -0.007 0.000 0.266 274 E C 0.180 176.848 176.600 0.114 0.000 0.901 274 E CA -0.285 56.129 56.400 0.025 0.000 0.782 274 E CB 2.177 31.838 29.700 -0.066 0.000 1.228 274 E HN 1.495 nan 8.360 nan 0.000 0.424 275 G N 1.660 110.534 108.800 0.124 0.000 2.627 275 G HA2 -0.095 3.861 3.960 -0.007 0.000 0.680 275 G HA3 -0.095 3.861 3.960 -0.007 0.000 0.680 275 G C -0.552 174.501 174.900 0.255 0.000 1.341 275 G CA -0.649 44.630 45.100 0.298 0.000 0.835 275 G HN 0.540 nan 8.290 nan 0.000 0.643 276 D N -0.106 120.455 120.400 0.269 0.000 2.566 276 D HA 0.274 4.910 4.640 -0.007 0.000 0.253 276 D C 0.573 176.692 176.300 -0.302 0.000 0.992 276 D CA 1.235 55.249 54.000 0.022 0.000 0.940 276 D CB 0.458 41.456 40.800 0.330 0.000 1.095 276 D HN 0.309 nan 8.370 nan 0.000 0.480 277 F N -1.025 119.083 119.950 0.262 0.000 2.662 277 F HA 0.319 4.842 4.527 -0.007 0.000 0.312 277 F C -0.965 174.464 175.800 -0.617 0.000 1.113 277 F CA -1.317 56.626 58.000 -0.096 0.000 0.951 277 F CB 1.793 40.570 39.000 -0.371 0.000 1.344 277 F HN -0.286 nan 8.300 nan 0.000 0.462 278 Y N 2.015 121.719 120.300 -0.993 0.000 2.385 278 Y HA 0.463 5.009 4.550 -0.007 0.000 0.341 278 Y C -1.166 174.541 175.900 -0.322 0.000 0.965 278 Y CA -0.813 56.757 58.100 -0.884 0.000 1.180 278 Y CB 0.290 37.946 38.460 -1.340 0.000 1.139 278 Y HN 0.409 nan 8.280 nan 0.000 0.502 279 Y N 4.301 124.412 120.300 -0.315 0.000 2.310 279 Y HA 0.213 4.759 4.550 -0.006 0.000 0.326 279 Y C 0.267 176.131 175.900 -0.061 0.000 1.151 279 Y CA -0.560 57.508 58.100 -0.052 0.000 1.195 279 Y CB 0.699 39.229 38.460 0.117 0.000 1.210 279 Y HN 0.556 nan 8.280 nan 0.000 0.483 280 H N 1.571 120.771 119.070 0.217 0.000 2.562 280 H HA 0.368 4.920 4.556 -0.006 0.000 0.314 280 H C 0.228 175.681 175.328 0.208 0.000 1.079 280 H CA -0.271 55.891 56.048 0.190 0.000 1.349 280 H CB 1.400 31.306 29.762 0.239 0.000 1.432 280 H HN 0.979 nan 8.280 nan 0.000 0.479 281 A N 4.098 127.060 122.820 0.237 0.000 2.206 281 A HA 0.019 4.335 4.320 -0.007 0.000 0.211 281 A C 2.142 179.759 177.584 0.055 0.000 1.158 281 A CA 0.898 53.039 52.037 0.174 0.000 0.761 281 A CB -0.345 18.755 19.000 0.166 0.000 0.801 281 A HN 0.798 nan 8.150 nan 0.000 0.473 282 A N -0.405 122.179 122.820 -0.392 0.000 2.067 282 A HA 0.282 4.598 4.320 -0.007 0.000 0.219 282 A C 0.783 178.261 177.584 -0.178 0.000 1.158 282 A CA 0.796 52.557 52.037 -0.461 0.000 0.661 282 A CB -0.234 18.165 19.000 -1.001 0.000 0.801 282 A HN 0.455 nan 8.150 nan 0.000 0.452 283 I N -0.319 120.249 120.570 -0.003 0.000 2.548 283 I HA 0.467 4.633 4.170 -0.007 0.000 0.287 283 I C -1.173 175.171 176.117 0.378 0.000 1.103 283 I CA -0.682 60.707 61.300 0.148 0.000 1.049 283 I CB 1.964 40.071 38.000 0.179 0.000 1.232 283 I HN 0.303 nan 8.210 nan 0.000 0.429 284 F N 3.652 123.767 119.950 0.275 0.000 2.645 284 F HA 1.014 5.537 4.527 -0.006 0.000 0.310 284 F C -0.153 175.787 175.800 0.234 0.000 1.102 284 F CA -0.670 57.501 58.000 0.285 0.000 0.952 284 F CB 1.812 40.962 39.000 0.251 0.000 1.326 284 F HN 0.486 nan 8.300 nan 0.000 0.456 285 G N -0.656 108.238 108.800 0.156 0.000 2.619 285 G HA2 0.784 4.740 3.960 -0.007 0.000 0.305 285 G HA3 0.784 4.740 3.960 -0.007 0.000 0.305 285 G C -0.896 173.898 174.900 -0.176 0.000 1.330 285 G CA -0.430 44.457 45.100 -0.355 0.000 0.789 285 G HN 1.891 nan 8.290 nan 0.000 0.487 286 G N -1.701 106.948 108.800 -0.250 0.000 2.352 286 G HA2 0.566 4.522 3.960 -0.007 0.000 0.283 286 G HA3 0.566 4.522 3.960 -0.007 0.000 0.283 286 G C -0.044 174.906 174.900 0.082 0.000 1.308 286 G CA 0.802 45.900 45.100 -0.003 0.000 0.892 286 G HN 1.859 nan 8.290 nan 0.000 0.504 287 T N -0.450 114.149 114.554 0.076 0.000 2.900 287 T HA 0.474 4.820 4.350 -0.007 0.000 0.307 287 T C -1.225 173.428 174.700 -0.078 0.000 1.065 287 T CA -0.252 61.791 62.100 -0.095 0.000 1.105 287 T CB 1.552 70.339 68.868 -0.135 0.000 0.979 287 T HN 0.209 nan 8.240 nan 0.000 0.544 288 P HA -0.120 nan 4.420 nan 0.000 0.217 288 P C 1.674 178.917 177.300 -0.096 0.000 1.151 288 P CA 1.254 64.287 63.100 -0.111 0.000 0.849 288 P CB -0.252 31.359 31.700 -0.148 0.000 0.787 289 T N -0.606 113.896 114.554 -0.087 0.000 2.684 289 T HA -0.182 4.164 4.350 -0.007 0.000 0.267 289 T C 1.813 176.495 174.700 -0.031 0.000 1.036 289 T CA 1.258 63.321 62.100 -0.060 0.000 1.148 289 T CB -0.656 68.183 68.868 -0.048 0.000 0.863 289 T HN 0.168 nan 8.240 nan 0.000 0.436 290 Q N 0.484 120.279 119.800 -0.007 0.000 2.079 290 Q HA 0.005 4.341 4.340 -0.007 0.000 0.200 290 Q C 2.701 178.700 176.000 -0.002 0.000 0.974 290 Q CA 0.884 56.705 55.803 0.030 0.000 0.840 290 Q CB -0.874 27.911 28.738 0.078 0.000 0.898 290 Q HN 0.414 nan 8.270 nan 0.000 0.430 291 V N 1.417 121.329 119.914 -0.002 0.000 2.407 291 V HA -0.233 3.883 4.120 -0.007 0.000 0.248 291 V C 2.367 178.434 176.094 -0.046 0.000 1.055 291 V CA 1.335 63.643 62.300 0.013 0.000 1.049 291 V CB -0.716 31.125 31.823 0.030 0.000 0.662 291 V HN 0.209 nan 8.190 nan 0.000 0.455 292 L N 0.994 122.178 121.223 -0.066 0.000 2.012 292 L HA -0.195 4.140 4.340 -0.007 0.000 0.210 292 L C 2.152 178.963 176.870 -0.099 0.000 1.073 292 L CA 2.411 57.200 54.840 -0.085 0.000 0.748 292 L CB -0.979 41.028 42.059 -0.087 0.000 0.891 292 L HN 0.378 nan 8.230 nan 0.000 0.431 293 N N -0.465 118.184 118.700 -0.084 0.000 2.120 293 N HA -0.181 4.555 4.740 -0.007 0.000 0.188 293 N C 1.824 177.172 175.510 -0.270 0.000 1.024 293 N CA 1.844 54.852 53.050 -0.071 0.000 0.852 293 N CB -0.254 38.261 38.487 0.046 0.000 1.003 293 N HN 0.469 nan 8.380 nan 0.000 0.424 294 I N -0.105 120.154 120.570 -0.519 0.000 2.118 294 I HA -0.346 3.820 4.170 -0.007 0.000 0.241 294 I C 2.277 177.983 176.117 -0.685 0.000 1.070 294 I CA 1.827 62.459 61.300 -1.112 0.000 1.327 294 I CB -0.776 36.702 38.000 -0.869 0.000 1.034 294 I HN 0.396 nan 8.210 nan 0.000 0.405 295 T N -1.823 112.523 114.554 -0.347 0.000 2.857 295 T HA -0.180 4.166 4.350 -0.007 0.000 0.266 295 T C 1.800 176.422 174.700 -0.130 0.000 1.048 295 T CA 0.984 62.963 62.100 -0.202 0.000 1.139 295 T CB -0.430 68.391 68.868 -0.077 0.000 0.874 295 T HN 0.384 nan 8.240 nan 0.000 0.455 296 Q N 0.415 120.146 119.800 -0.114 0.000 2.050 296 Q HA -0.102 4.234 4.340 -0.007 0.000 0.202 296 Q C 2.639 178.627 176.000 -0.019 0.000 0.980 296 Q CA 1.400 57.181 55.803 -0.038 0.000 0.840 296 Q CB -0.065 28.650 28.738 -0.038 0.000 0.898 296 Q HN 0.526 nan 8.270 nan 0.000 0.424 297 E N 0.046 120.209 120.200 -0.061 0.000 2.072 297 E HA -0.145 4.201 4.350 -0.007 0.000 0.191 297 E C 2.149 178.725 176.600 -0.040 0.000 0.985 297 E CA 0.721 57.118 56.400 -0.005 0.000 0.801 297 E CB -0.397 29.389 29.700 0.143 0.000 0.750 297 E HN 0.366 nan 8.360 nan 0.000 0.452 298 C N 0.593 119.818 119.300 -0.126 0.000 2.413 298 C HA -0.143 4.313 4.460 -0.007 0.000 0.276 298 C C 2.511 177.404 174.990 -0.161 0.000 1.236 298 C CA 0.488 59.424 59.018 -0.136 0.000 1.735 298 C CB -1.235 26.380 27.740 -0.209 0.000 2.031 298 C HN 0.333 nan 8.230 nan 0.000 0.474 299 F N 1.706 121.519 119.950 -0.228 0.000 2.234 299 F HA -0.079 4.445 4.527 -0.006 0.000 0.299 299 F C 2.254 177.940 175.800 -0.190 0.000 1.087 299 F CA 1.514 59.386 58.000 -0.214 0.000 1.340 299 F CB -0.411 38.494 39.000 -0.158 0.000 1.031 299 F HN 0.173 nan 8.300 nan 0.000 0.500 300 K N -0.409 119.907 120.400 -0.141 0.000 2.057 300 K HA -0.109 4.207 4.320 -0.007 0.000 0.207 300 K C 2.387 178.851 176.600 -0.226 0.000 1.049 300 K CA 1.206 57.387 56.287 -0.177 0.000 0.931 300 K CB -0.873 31.585 32.500 -0.069 0.000 0.714 300 K HN 0.402 nan 8.250 nan 0.000 0.440 301 G N 1.212 109.887 108.800 -0.208 0.000 2.418 301 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.217 301 G HA3 -0.221 3.735 3.960 -0.007 0.000 0.217 301 G C 1.488 176.166 174.900 -0.370 0.000 1.158 301 G CA 0.649 45.652 45.100 -0.162 0.000 0.771 301 G HN 0.138 nan 8.290 nan 0.000 0.545 302 I N 0.335 120.473 120.570 -0.720 0.000 2.179 302 I HA -0.128 4.038 4.170 -0.007 0.000 0.242 302 I C 2.689 178.523 176.117 -0.472 0.000 1.088 302 I CA 0.731 61.637 61.300 -0.657 0.000 1.357 302 I CB -0.164 37.463 38.000 -0.621 0.000 1.051 302 I HN 0.123 nan 8.210 nan 0.000 0.409 303 L N 0.463 121.327 121.223 -0.598 0.000 2.093 303 L HA -0.215 4.121 4.340 -0.007 0.000 0.208 303 L C 2.618 179.338 176.870 -0.249 0.000 1.085 303 L CA 1.333 55.902 54.840 -0.452 0.000 0.755 303 L CB -0.582 41.178 42.059 -0.499 0.000 0.904 303 L HN 0.233 nan 8.230 nan 0.000 0.435 304 K N 0.323 120.601 120.400 -0.204 0.000 2.057 304 K HA -0.216 4.100 4.320 -0.007 0.000 0.207 304 K C 1.634 178.183 176.600 -0.086 0.000 1.049 304 K CA 1.884 58.101 56.287 -0.117 0.000 0.931 304 K CB 0.006 32.456 32.500 -0.083 0.000 0.714 304 K HN 0.162 nan 8.250 nan 0.000 0.440 305 D N 0.725 121.083 120.400 -0.071 0.000 2.123 305 D HA -0.132 4.504 4.640 -0.007 0.000 0.196 305 D C 1.697 177.959 176.300 -0.063 0.000 0.992 305 D CA 1.252 55.231 54.000 -0.036 0.000 0.833 305 D CB 0.034 40.853 40.800 0.031 0.000 0.954 305 D HN 0.250 nan 8.370 nan 0.000 0.455 306 K N 0.255 120.596 120.400 -0.099 0.000 2.103 306 K HA -0.094 4.222 4.320 -0.007 0.000 0.207 306 K C 1.858 178.410 176.600 -0.079 0.000 1.048 306 K CA 0.810 57.040 56.287 -0.095 0.000 0.930 306 K CB 0.133 32.559 32.500 -0.124 0.000 0.716 306 K HN -0.010 nan 8.250 nan 0.000 0.444 307 K N 0.613 120.964 120.400 -0.082 0.000 2.288 307 K HA -0.024 4.292 4.320 -0.007 0.000 0.201 307 K C 1.029 177.596 176.600 -0.055 0.000 1.048 307 K CA 0.811 57.059 56.287 -0.066 0.000 0.956 307 K CB -0.043 32.416 32.500 -0.068 0.000 0.746 307 K HN 0.167 nan 8.250 nan 0.000 0.461 308 N N 1.440 120.108 118.700 -0.054 0.000 2.235 308 N HA -0.060 4.676 4.740 -0.007 0.000 0.209 308 N C -0.587 174.895 175.510 -0.046 0.000 1.122 308 N CA 0.115 53.137 53.050 -0.047 0.000 0.845 308 N CB 0.304 38.764 38.487 -0.046 0.000 1.004 308 N HN 0.087 nan 8.380 nan 0.000 0.499 309 D N 0.880 121.252 120.400 -0.047 0.000 2.689 309 D HA -0.203 4.433 4.640 -0.007 0.000 0.237 309 D C -0.730 175.543 176.300 -0.045 0.000 1.148 309 D CA 0.565 54.538 54.000 -0.046 0.000 0.656 309 D CB -1.232 39.543 40.800 -0.041 0.000 1.050 309 D HN 0.436 nan 8.370 nan 0.000 0.426 310 I N -0.079 120.465 120.570 -0.044 0.000 2.802 310 I HA 0.436 4.602 4.170 -0.007 0.000 0.298 310 I C -1.099 174.998 176.117 -0.034 0.000 1.176 310 I CA -0.834 60.441 61.300 -0.042 0.000 1.025 310 I CB 1.881 39.856 38.000 -0.041 0.000 1.243 310 I HN 0.020 nan 8.210 nan 0.000 0.424 311 E N 5.408 125.585 120.200 -0.039 0.000 2.241 311 E HA 0.645 4.991 4.350 -0.007 0.000 0.263 311 E C -0.851 175.712 176.600 -0.062 0.000 0.882 311 E CA -0.786 55.601 56.400 -0.022 0.000 0.769 311 E CB 1.855 31.540 29.700 -0.024 0.000 1.185 311 E HN 0.736 nan 8.360 nan 0.000 0.415 312 A N 3.599 126.394 122.820 -0.041 0.000 2.531 312 A HA -0.071 4.245 4.320 -0.007 0.000 0.236 312 A C 1.118 178.525 177.584 -0.294 0.000 1.062 312 A CA 0.350 52.303 52.037 -0.140 0.000 0.760 312 A CB 0.622 19.498 19.000 -0.207 0.000 0.995 312 A HN 0.960 nan 8.150 nan 0.000 0.501 313 Q N 0.994 120.626 119.800 -0.281 0.000 2.077 313 Q HA -0.185 4.151 4.340 -0.007 0.000 0.206 313 Q C 0.257 175.717 176.000 -0.899 0.000 0.989 313 Q CA 2.136 57.647 55.803 -0.486 0.000 0.853 313 Q CB -0.060 28.495 28.738 -0.305 0.000 0.907 313 Q HN 0.879 nan 8.270 nan 0.000 0.418 314 W N -0.200 120.932 121.300 -0.280 0.000 2.764 314 W HA 0.235 4.890 4.660 -0.007 0.000 0.427 314 W C -0.077 176.393 176.519 -0.083 0.000 0.896 314 W CA -0.087 57.154 57.345 -0.173 0.000 2.307 314 W CB 0.154 29.683 29.460 0.115 0.000 1.192 314 W HN 0.393 nan 8.180 nan 0.000 0.731 315 H N -0.806 118.376 119.070 0.186 0.000 1.452 315 H HA -0.371 4.181 4.556 -0.007 0.000 0.090 315 H C 1.726 177.216 175.328 0.271 0.000 0.910 315 H CA 1.809 57.956 56.048 0.164 0.000 1.901 315 H CB -1.173 28.643 29.762 0.090 0.000 2.257 315 H HN 0.193 nan 8.280 nan 0.000 0.961 316 D N 1.030 121.645 120.400 0.358 0.000 2.182 316 D HA -0.170 4.466 4.640 -0.007 0.000 0.201 316 D C 1.740 178.158 176.300 0.197 0.000 0.986 316 D CA 1.747 55.889 54.000 0.236 0.000 0.847 316 D CB -0.495 40.371 40.800 0.111 0.000 0.942 316 D HN 0.706 nan 8.370 nan 0.000 0.467 317 E N 0.808 121.153 120.200 0.242 0.000 2.106 317 E HA -0.134 4.212 4.350 -0.007 0.000 0.192 317 E C 1.890 178.580 176.600 0.149 0.000 0.984 317 E CA 0.971 57.488 56.400 0.195 0.000 0.806 317 E CB 0.160 30.029 29.700 0.282 0.000 0.750 317 E HN 0.116 nan 8.360 nan 0.000 0.458 318 S N -0.023 115.784 115.700 0.179 0.000 2.368 318 S HA -0.153 4.313 4.470 -0.007 0.000 0.225 318 S C 1.712 176.266 174.600 -0.076 0.000 1.030 318 S CA 0.999 59.238 58.200 0.065 0.000 0.999 318 S CB -0.410 62.772 63.200 -0.030 0.000 0.844 318 S HN 0.455 nan 8.310 nan 0.000 0.459 319 H N 0.355 119.438 119.070 0.021 0.000 2.389 319 H HA 0.031 4.583 4.556 -0.007 0.000 0.299 319 H C 2.231 177.511 175.328 -0.081 0.000 1.081 319 H CA 1.152 57.179 56.048 -0.034 0.000 1.345 319 H CB -0.503 29.230 29.762 -0.049 0.000 1.393 319 H HN 0.221 nan 8.280 nan 0.000 0.520 320 L N 1.537 122.756 121.223 -0.008 0.000 2.046 320 L HA -0.141 4.194 4.340 -0.007 0.000 0.208 320 L C 1.904 178.748 176.870 -0.044 0.000 1.077 320 L CA 1.410 56.142 54.840 -0.180 0.000 0.747 320 L CB -0.602 41.329 42.059 -0.213 0.000 0.896 320 L HN 0.139 nan 8.230 nan 0.000 0.432 321 N N -0.314 118.425 118.700 0.066 0.000 2.188 321 N HA -0.214 4.522 4.740 -0.007 0.000 0.184 321 N C 1.836 177.370 175.510 0.040 0.000 1.018 321 N CA 1.185 54.334 53.050 0.164 0.000 0.858 321 N CB -0.029 38.521 38.487 0.106 0.000 0.989 321 N HN 0.249 nan 8.380 nan 0.000 0.426 322 K N 0.849 121.212 120.400 -0.062 0.000 2.057 322 K HA -0.144 4.172 4.320 -0.007 0.000 0.207 322 K C 2.000 178.557 176.600 -0.071 0.000 1.049 322 K CA 1.006 57.226 56.287 -0.112 0.000 0.931 322 K CB -0.731 31.707 32.500 -0.102 0.000 0.714 322 K HN 0.179 nan 8.250 nan 0.000 0.440 323 Y N -0.165 120.028 120.300 -0.178 0.000 2.097 323 Y HA -0.171 4.375 4.550 -0.006 0.000 0.282 323 Y C 1.658 177.436 175.900 -0.204 0.000 1.152 323 Y CA 2.142 60.087 58.100 -0.258 0.000 1.136 323 Y CB -0.379 37.809 38.460 -0.453 0.000 0.975 323 Y HN 0.098 nan 8.280 nan 0.000 0.498 324 F N -1.169 118.804 119.950 0.038 0.000 2.451 324 F HA -0.167 4.356 4.527 -0.007 0.000 0.299 324 F C 2.063 177.818 175.800 -0.075 0.000 1.101 324 F CA 0.220 58.180 58.000 -0.066 0.000 1.436 324 F CB -0.118 38.754 39.000 -0.213 0.000 1.074 324 F HN 0.204 nan 8.300 nan 0.000 0.553 325 L N 0.218 121.503 121.223 0.103 0.000 2.027 325 L HA -0.156 4.180 4.340 -0.007 0.000 0.206 325 L C 1.909 178.686 176.870 -0.155 0.000 1.074 325 L CA 1.821 56.647 54.840 -0.024 0.000 0.745 325 L CB -0.591 41.408 42.059 -0.100 0.000 0.898 325 L HN 0.082 nan 8.230 nan 0.000 0.433 326 L N -0.616 120.476 121.223 -0.218 0.000 2.095 326 L HA -0.034 4.302 4.340 -0.007 0.000 0.204 326 L C 0.353 177.028 176.870 -0.326 0.000 1.080 326 L CA 0.582 55.264 54.840 -0.264 0.000 0.759 326 L CB -0.292 41.598 42.059 -0.281 0.000 0.914 326 L HN 0.301 nan 8.230 nan 0.000 0.439 327 N N 1.225 119.658 118.700 -0.445 0.000 2.800 327 N HA 0.142 4.878 4.740 -0.007 0.000 0.240 327 N C -0.887 174.499 175.510 -0.206 0.000 1.096 327 N CA -0.331 52.480 53.050 -0.399 0.000 0.877 327 N CB 1.067 39.149 38.487 -0.676 0.000 1.138 327 N HN 0.021 nan 8.380 nan 0.000 0.509 328 K N 2.066 122.275 120.400 -0.319 0.000 2.489 328 K HA 0.109 4.425 4.320 -0.007 0.000 0.278 328 K C -2.041 174.480 176.600 -0.132 0.000 1.000 328 K CA -0.994 54.995 56.287 -0.497 0.000 1.012 328 K CB 0.197 31.877 32.500 -1.367 0.000 0.903 328 K HN 0.334 nan 8.250 nan 0.000 0.485 329 P HA 0.012 nan 4.420 nan 0.000 0.271 329 P C 0.599 178.036 177.300 0.229 0.000 1.216 329 P CA -0.084 63.014 63.100 -0.004 0.000 0.776 329 P CB 0.458 31.873 31.700 -0.474 0.000 0.881 330 T N -0.791 113.861 114.554 0.164 0.000 3.088 330 T HA 0.039 4.385 4.350 -0.007 0.000 0.259 330 T C 0.543 175.312 174.700 0.115 0.000 1.122 330 T CA 0.591 62.804 62.100 0.187 0.000 1.095 330 T CB 0.012 68.968 68.868 0.146 0.000 0.930 330 T HN 0.483 nan 8.240 nan 0.000 0.508 331 K N 0.232 120.660 120.400 0.047 0.000 2.543 331 K HA 0.593 4.909 4.320 -0.007 0.000 0.255 331 K C -1.963 174.583 176.600 -0.089 0.000 0.934 331 K CA -0.932 55.336 56.287 -0.031 0.000 0.810 331 K CB 1.804 34.281 32.500 -0.038 0.000 1.315 331 K HN 0.185 nan 8.250 nan 0.000 0.433 332 I N 4.663 125.158 120.570 -0.126 0.000 2.530 332 I HA 0.385 4.551 4.170 -0.007 0.000 0.297 332 I C -0.516 175.480 176.117 -0.202 0.000 1.011 332 I CA -1.172 60.035 61.300 -0.156 0.000 1.107 332 I CB 1.769 39.660 38.000 -0.181 0.000 1.285 332 I HN 0.394 nan 8.210 nan 0.000 0.436 333 L N 3.992 125.092 121.223 -0.205 0.000 2.309 333 L HA 0.418 4.754 4.340 -0.007 0.000 0.282 333 L C 0.637 177.339 176.870 -0.279 0.000 1.036 333 L CA -0.569 54.083 54.840 -0.314 0.000 0.806 333 L CB 1.658 43.483 42.059 -0.390 0.000 1.220 333 L HN 0.722 nan 8.230 nan 0.000 0.429 334 S N 2.070 117.510 115.700 -0.434 0.000 2.589 334 S HA 0.201 4.667 4.470 -0.007 0.000 0.265 334 S C -1.859 172.469 174.600 -0.452 0.000 1.342 334 S CA -0.928 56.750 58.200 -0.869 0.000 1.005 334 S CB 0.711 62.788 63.200 -1.873 0.000 0.909 334 S HN 0.460 nan 8.310 nan 0.000 0.555 335 P HA -0.050 nan 4.420 nan 0.000 0.226 335 P C 0.795 178.045 177.300 -0.083 0.000 1.146 335 P CA 1.049 64.056 63.100 -0.154 0.000 0.773 335 P CB -0.100 31.474 31.700 -0.212 0.000 0.772 336 E N -1.717 118.287 120.200 -0.328 0.000 2.204 336 E HA -0.186 4.160 4.350 -0.007 0.000 0.195 336 E C 1.011 177.431 176.600 -0.301 0.000 0.990 336 E CA 0.978 57.172 56.400 -0.343 0.000 0.821 336 E CB -0.497 28.959 29.700 -0.406 0.000 0.750 336 E HN 0.440 nan 8.360 nan 0.000 0.477 337 Y N -1.409 118.810 120.300 -0.134 0.000 2.490 337 Y HA 0.106 4.651 4.550 -0.007 0.000 0.281 337 Y C 0.582 176.567 175.900 0.141 0.000 1.174 337 Y CA -0.068 57.995 58.100 -0.061 0.000 1.295 337 Y CB 0.770 39.088 38.460 -0.237 0.000 1.062 337 Y HN -0.008 nan 8.280 nan 0.000 0.522 338 C N 1.251 120.723 119.300 0.286 0.000 3.238 338 C HA 0.150 4.606 4.460 -0.007 0.000 0.308 338 C C -0.934 174.346 174.990 0.483 0.000 0.971 338 C CA -1.112 58.146 59.018 0.399 0.000 1.207 338 C CB -1.143 26.873 27.740 0.460 0.000 1.696 338 C HN 0.533 nan 8.230 nan 0.000 0.609 339 W N 3.736 125.049 121.300 0.023 0.000 2.469 339 W HA 0.451 5.107 4.660 -0.007 0.000 0.320 339 W C -0.789 175.380 176.519 -0.583 0.000 1.086 339 W CA 0.064 57.221 57.345 -0.313 0.000 1.211 339 W CB 1.252 30.424 29.460 -0.479 0.000 1.298 339 W HN 0.591 nan 8.180 nan 0.000 0.525 340 D N 4.293 123.537 120.400 -1.927 0.000 2.396 340 D HA 0.091 4.727 4.640 -0.007 0.000 0.225 340 D C 0.465 175.896 176.300 -1.448 0.000 1.121 340 D CA -0.196 52.754 54.000 -1.751 0.000 0.853 340 D CB 0.387 39.919 40.800 -2.112 0.000 1.043 340 D HN 0.352 nan 8.370 nan 0.000 0.500 341 Y N 1.679 121.651 120.300 -0.547 0.000 2.569 341 Y HA -0.165 4.381 4.550 -0.007 0.000 0.293 341 Y C 1.963 177.764 175.900 -0.165 0.000 1.144 341 Y CA 0.592 58.582 58.100 -0.183 0.000 1.321 341 Y CB -0.031 38.446 38.460 0.028 0.000 0.982 341 Y HN 0.624 nan 8.280 nan 0.000 0.558 342 H N 0.215 119.183 119.070 -0.171 0.000 2.456 342 H HA -0.137 4.415 4.556 -0.007 0.000 0.296 342 H C 1.782 177.000 175.328 -0.183 0.000 1.079 342 H CA 1.620 57.622 56.048 -0.077 0.000 1.322 342 H CB -0.275 29.523 29.762 0.059 0.000 1.388 342 H HN 0.340 nan 8.280 nan 0.000 0.538 343 I N -0.445 119.765 120.570 -0.599 0.000 2.614 343 I HA 0.004 4.170 4.170 -0.007 0.000 0.258 343 I C 1.603 177.572 176.117 -0.246 0.000 1.189 343 I CA 0.615 61.483 61.300 -0.719 0.000 1.462 343 I CB -0.416 36.884 38.000 -1.166 0.000 1.092 343 I HN 0.564 nan 8.210 nan 0.000 0.442 344 G N 1.155 109.920 108.800 -0.058 0.000 2.512 344 G HA2 -0.176 3.780 3.960 -0.007 0.000 0.210 344 G HA3 -0.176 3.780 3.960 -0.007 0.000 0.210 344 G C -1.074 174.042 174.900 0.360 0.000 1.295 344 G CA -0.513 44.657 45.100 0.117 0.000 0.934 344 G HN 0.063 nan 8.290 nan 0.000 0.554 345 L N 2.463 123.824 121.223 0.229 0.000 2.492 345 L HA 0.624 4.960 4.340 -0.007 0.000 0.258 345 L C -1.584 175.295 176.870 0.015 0.000 1.028 345 L CA -1.168 53.761 54.840 0.148 0.000 0.900 345 L CB 1.109 43.259 42.059 0.152 0.000 1.191 345 L HN 0.751 nan 8.230 nan 0.000 0.459 346 P HA 0.401 nan 4.420 nan 0.000 0.282 346 P C 0.514 177.765 177.300 -0.081 0.000 1.287 346 P CA -0.368 62.715 63.100 -0.028 0.000 0.792 346 P CB 1.002 32.718 31.700 0.027 0.000 1.163 347 A N 0.073 122.862 122.820 -0.051 0.000 1.978 347 A HA -0.189 4.127 4.320 -0.007 0.000 0.220 347 A C 1.744 179.279 177.584 -0.081 0.000 1.170 347 A CA 1.930 53.930 52.037 -0.062 0.000 0.636 347 A CB -1.187 17.784 19.000 -0.048 0.000 0.810 347 A HN 0.531 nan 8.150 nan 0.000 0.448 348 D N -0.207 120.154 120.400 -0.064 0.000 2.218 348 D HA -0.059 4.577 4.640 -0.007 0.000 0.204 348 D C 0.438 176.716 176.300 -0.036 0.000 0.976 348 D CA 0.702 54.670 54.000 -0.053 0.000 0.853 348 D CB -0.110 40.744 40.800 0.089 0.000 0.939 348 D HN 0.287 nan 8.370 nan 0.000 0.481 349 I N 1.909 122.351 120.570 -0.212 0.000 2.256 349 I HA 0.059 4.224 4.170 -0.007 0.000 0.294 349 I C 1.288 177.255 176.117 -0.250 0.000 1.127 349 I CA -0.155 60.917 61.300 -0.379 0.000 1.247 349 I CB 0.933 38.333 38.000 -1.001 0.000 1.460 349 I HN -0.224 nan 8.210 nan 0.000 0.511 350 K N 3.853 124.175 120.400 -0.129 0.000 2.137 350 K HA 0.155 4.471 4.320 -0.007 0.000 0.202 350 K C 0.241 176.786 176.600 -0.091 0.000 1.052 350 K CA 0.655 56.890 56.287 -0.087 0.000 0.961 350 K CB 0.439 32.917 32.500 -0.037 0.000 0.741 350 K HN 0.356 nan 8.250 nan 0.000 0.452 351 L N 0.650 121.803 121.223 -0.117 0.000 2.596 351 L HA 0.231 4.567 4.340 -0.007 0.000 0.265 351 L C -1.383 175.384 176.870 -0.172 0.000 0.962 351 L CA -0.436 54.341 54.840 -0.106 0.000 0.891 351 L CB 1.904 43.924 42.059 -0.064 0.000 1.248 351 L HN -0.284 nan 8.230 nan 0.000 0.410 352 V N 5.859 125.692 119.914 -0.136 0.000 2.508 352 V HA 0.187 4.303 4.120 -0.007 0.000 0.281 352 V C 0.890 176.914 176.094 -0.118 0.000 1.041 352 V CA -0.066 62.148 62.300 -0.144 0.000 1.016 352 V CB 0.991 32.783 31.823 -0.051 0.000 0.984 352 V HN 0.768 nan 8.190 nan 0.000 0.478 353 K N 3.447 123.738 120.400 -0.181 0.000 2.308 353 K HA 0.350 4.666 4.320 -0.007 0.000 0.197 353 K C 0.163 176.814 176.600 0.084 0.000 1.049 353 K CA 0.423 56.656 56.287 -0.091 0.000 0.991 353 K CB 0.313 32.653 32.500 -0.267 0.000 0.836 353 K HN 0.648 nan 8.250 nan 0.000 0.500 354 M N 0.080 119.716 119.600 0.059 0.000 2.365 354 M HA 0.270 4.746 4.480 -0.007 0.000 0.287 354 M C -1.801 174.562 176.300 0.104 0.000 1.154 354 M CA -0.380 54.941 55.300 0.036 0.000 0.941 354 M CB 2.198 34.777 32.600 -0.034 0.000 1.704 354 M HN 0.014 nan 8.290 nan 0.000 0.479 355 S N 2.466 118.246 115.700 0.132 0.000 2.513 355 S HA 0.777 5.242 4.470 -0.007 0.000 0.299 355 S C -1.406 173.378 174.600 0.307 0.000 1.087 355 S CA -0.727 57.588 58.200 0.191 0.000 1.012 355 S CB 0.752 64.099 63.200 0.245 0.000 1.044 355 S HN 0.683 nan 8.310 nan 0.000 0.485 356 W N 2.103 123.408 121.300 0.008 0.000 2.181 356 W HA 0.284 4.940 4.660 -0.006 0.000 0.335 356 W C 0.916 177.458 176.519 0.039 0.000 1.310 356 W CA -0.714 56.645 57.345 0.024 0.000 1.226 356 W CB -0.034 29.442 29.460 0.028 0.000 1.155 356 W HN 0.569 nan 8.180 nan 0.000 0.565 357 Q N 1.556 121.477 119.800 0.201 0.000 2.340 357 Q HA 0.138 4.473 4.340 -0.007 0.000 0.249 357 Q C 0.249 176.342 176.000 0.155 0.000 0.957 357 Q CA 0.045 55.935 55.803 0.146 0.000 0.882 357 Q CB 0.555 29.303 28.738 0.017 0.000 1.235 357 Q HN 0.341 nan 8.270 nan 0.000 0.439 358 T N 3.298 117.941 114.554 0.147 0.000 2.928 358 T HA 0.042 4.388 4.350 -0.007 0.000 0.305 358 T C 0.323 175.031 174.700 0.013 0.000 1.035 358 T CA -0.337 61.813 62.100 0.083 0.000 1.145 358 T CB 0.342 69.250 68.868 0.066 0.000 0.963 358 T HN 0.097 nan 8.240 nan 0.000 0.545 359 K N 3.425 123.756 120.400 -0.115 0.000 2.412 359 K HA 0.122 4.438 4.320 -0.007 0.000 0.281 359 K C 0.529 176.958 176.600 -0.286 0.000 1.027 359 K CA 0.194 56.270 56.287 -0.353 0.000 0.989 359 K CB 0.452 32.499 32.500 -0.755 0.000 0.935 359 K HN 0.682 nan 8.250 nan 0.000 0.475 360 E N 2.552 122.626 120.200 -0.211 0.000 3.858 360 E HA 0.087 4.433 4.350 -0.007 0.000 0.208 360 E C 0.287 176.861 176.600 -0.043 0.000 1.041 360 E CA -0.099 56.246 56.400 -0.091 0.000 1.368 360 E CB 0.171 29.875 29.700 0.008 0.000 1.176 360 E HN 0.533 nan 8.360 nan 0.000 0.448 361 Y N 0.361 120.601 120.300 -0.099 0.000 2.193 361 Y HA -0.312 4.234 4.550 -0.007 0.000 0.285 361 Y C 2.472 178.303 175.900 -0.115 0.000 1.166 361 Y CA 0.947 58.959 58.100 -0.148 0.000 1.181 361 Y CB -0.090 38.272 38.460 -0.163 0.000 0.976 361 Y HN 0.288 nan 8.280 nan 0.000 0.520 362 N N 0.216 118.966 118.700 0.083 0.000 2.205 362 N HA -0.161 4.575 4.740 -0.007 0.000 0.186 362 N C 1.382 176.900 175.510 0.014 0.000 1.015 362 N CA 1.452 54.527 53.050 0.043 0.000 0.862 362 N CB -0.210 38.297 38.487 0.032 0.000 0.986 362 N HN 0.078 nan 8.380 nan 0.000 0.429 363 V N -0.518 119.384 119.914 -0.019 0.000 2.492 363 V HA -0.041 4.075 4.120 -0.007 0.000 0.241 363 V C 2.121 178.136 176.094 -0.132 0.000 1.041 363 V CA 1.240 63.505 62.300 -0.057 0.000 1.057 363 V CB -0.062 31.737 31.823 -0.041 0.000 0.711 363 V HN 0.389 nan 8.190 nan 0.000 0.468 364 V N -1.520 118.263 119.914 -0.218 0.000 3.129 364 V HA 0.188 4.304 4.120 -0.007 0.000 0.259 364 V C 1.071 177.172 176.094 0.012 0.000 1.116 364 V CA 0.538 62.672 62.300 -0.277 0.000 1.127 364 V CB -0.597 30.842 31.823 -0.641 0.000 0.742 364 V HN 0.379 nan 8.190 nan 0.000 0.474 365 R N 0.467 120.976 120.500 0.015 0.000 2.732 365 R HA 0.498 4.834 4.340 -0.007 0.000 0.278 365 R C -0.178 176.160 176.300 0.063 0.000 0.976 365 R CA -0.241 55.882 56.100 0.037 0.000 0.963 365 R CB 1.132 31.300 30.300 -0.220 0.000 1.150 365 R HN 0.153 nan 8.270 nan 0.000 0.478 366 N N 0.311 119.087 118.700 0.126 0.000 2.184 366 N HA 0.025 4.761 4.740 -0.007 0.000 0.206 366 N C -1.053 174.535 175.510 0.130 0.000 1.151 366 N CA -0.060 53.057 53.050 0.111 0.000 0.878 366 N CB 0.416 38.962 38.487 0.098 0.000 1.014 366 N HN 0.553 nan 8.380 nan 0.000 0.512 367 N N -1.211 117.616 118.700 0.211 0.000 2.416 367 N HA 0.235 4.971 4.740 -0.007 0.000 0.276 367 N C -0.696 174.990 175.510 0.293 0.000 1.261 367 N CA -0.545 52.624 53.050 0.199 0.000 0.790 367 N CB 1.576 40.145 38.487 0.136 0.000 1.554 367 N HN -0.350 nan 8.380 nan 0.000 0.481 368 V N 0.000 120.033 119.914 0.198 0.000 2.409 368 V HA 0.000 4.116 4.120 -0.007 0.000 0.244 368 V CA 0.000 62.431 62.300 0.218 0.000 1.235 368 V CB 0.000 31.893 31.823 0.117 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556