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 1gx4_1_B 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 0.000 176.619 176.600 0.031 0.000 0.988 82 K CA 0.000 56.345 56.287 0.097 0.000 0.838 82 K CB 0.000 32.587 32.500 0.146 0.000 1.064 83 L N 3.512 124.692 121.223 -0.073 0.000 2.490 83 L HA 0.382 5.343 4.340 1.035 0.000 0.274 83 L C -0.149 176.688 176.870 -0.056 0.000 1.201 83 L CA 0.344 55.022 54.840 -0.270 0.000 0.869 83 L CB 0.490 42.089 42.059 -0.766 0.000 1.123 83 L HN 0.427 nan 8.230 nan 0.000 0.484 84 K N 4.225 124.630 120.400 0.009 0.000 2.340 84 K HA 0.285 5.226 4.320 1.035 0.000 0.244 84 K C 0.399 177.071 176.600 0.120 0.000 0.973 84 K CA -0.971 55.356 56.287 0.067 0.000 0.828 84 K CB 1.606 34.132 32.500 0.042 0.000 1.226 84 K HN 0.441 nan 8.250 nan 0.000 0.437 85 L N 1.891 123.162 121.223 0.080 0.000 2.013 85 L HA -0.243 4.718 4.340 1.035 0.000 0.212 85 L C 2.094 178.814 176.870 -0.250 0.000 1.073 85 L CA 2.386 57.182 54.840 -0.073 0.000 0.753 85 L CB -0.677 41.333 42.059 -0.083 0.000 0.890 85 L HN 0.891 nan 8.230 nan 0.000 0.432 86 S N -2.065 113.581 115.700 -0.090 0.000 2.507 86 S HA -0.139 4.951 4.470 1.035 0.000 0.235 86 S C 1.601 176.174 174.600 -0.044 0.000 0.988 86 S CA 0.839 58.993 58.200 -0.077 0.000 0.944 86 S CB -0.742 62.450 63.200 -0.014 0.000 0.762 86 S HN 0.508 nan 8.310 nan 0.000 0.526 87 D N 1.317 121.727 120.400 0.017 0.000 2.178 87 D HA -0.071 5.190 4.640 1.035 0.000 0.201 87 D C 1.549 177.954 176.300 0.175 0.000 0.980 87 D CA 1.373 55.428 54.000 0.093 0.000 0.842 87 D CB -0.161 40.708 40.800 0.114 0.000 0.948 87 D HN 0.905 nan 8.370 nan 0.000 0.472 88 W N -1.586 119.753 121.300 0.065 0.000 2.413 88 W HA 0.290 5.561 4.660 1.019 0.000 0.288 88 W C -0.527 176.113 176.519 0.202 0.000 0.958 88 W CA -0.515 56.895 57.345 0.109 0.000 1.333 88 W CB -0.125 29.391 29.460 0.093 0.000 1.002 88 W HN -0.251 nan 8.180 nan 0.000 0.562 89 F N 4.262 123.724 119.950 -0.815 0.000 2.449 89 F HA 0.513 5.655 4.527 1.025 0.000 0.342 89 F C -0.837 174.726 175.800 -0.396 0.000 1.127 89 F CA -1.277 56.228 58.000 -0.825 0.000 0.975 89 F CB 1.154 39.276 39.000 -1.463 0.000 1.146 89 F HN -0.228 nan 8.300 nan 0.000 0.444 90 N N 8.224 126.460 118.700 -0.773 0.000 2.626 90 N HA 0.371 5.732 4.740 1.035 0.000 0.249 90 N C -2.240 172.774 175.510 -0.826 0.000 1.021 90 N CA -2.507 50.204 53.050 -0.566 0.000 0.886 90 N CB 1.740 40.090 38.487 -0.229 0.000 1.149 90 N HN 0.268 nan 8.380 nan 0.000 0.517 91 P HA -0.032 nan 4.420 nan 0.000 0.226 91 P C 0.867 177.777 177.300 -0.650 0.000 1.153 91 P CA 0.788 63.333 63.100 -0.925 0.000 0.777 91 P CB -0.018 31.216 31.700 -0.776 0.000 0.794 92 F N 0.436 120.236 119.950 -0.250 0.000 2.699 92 F HA 0.034 5.186 4.527 1.041 0.000 0.298 92 F C 2.121 177.823 175.800 -0.163 0.000 1.154 92 F CA 0.523 58.422 58.000 -0.168 0.000 1.457 92 F CB -0.499 38.420 39.000 -0.134 0.000 1.106 92 F HN -0.195 nan 8.300 nan 0.000 0.585 93 K N 0.287 120.634 120.400 -0.089 0.000 2.365 93 K HA 0.046 4.987 4.320 1.035 0.000 0.199 93 K C 0.454 176.983 176.600 -0.118 0.000 1.045 93 K CA 0.646 56.875 56.287 -0.096 0.000 0.962 93 K CB 0.043 32.466 32.500 -0.128 0.000 0.759 93 K HN 0.107 nan 8.250 nan 0.000 0.469 94 R N 0.778 121.180 120.500 -0.163 0.000 2.644 94 R HA 0.162 5.123 4.340 1.035 0.000 0.271 94 R C -2.152 174.018 176.300 -0.216 0.000 1.687 94 R CA -1.393 54.586 56.100 -0.202 0.000 1.655 94 R CB 0.861 31.007 30.300 -0.256 0.000 1.285 94 R HN -0.050 nan 8.270 nan 0.000 0.643 95 P HA -0.031 nan 4.420 nan 0.000 0.233 95 P C 0.253 177.481 177.300 -0.122 0.000 1.167 95 P CA 0.816 63.855 63.100 -0.102 0.000 0.770 95 P CB 0.646 32.323 31.700 -0.039 0.000 0.837 96 E N 0.037 120.135 120.200 -0.170 0.000 2.465 96 E HA 0.135 5.106 4.350 1.035 0.000 0.195 96 E C 0.834 177.314 176.600 -0.199 0.000 1.028 96 E CA -0.039 56.271 56.400 -0.150 0.000 0.899 96 E CB 0.706 30.328 29.700 -0.129 0.000 1.032 96 E HN 0.236 nan 8.360 nan 0.000 0.468 97 V N -3.171 116.559 119.914 -0.307 0.000 3.158 97 V HA 0.518 5.258 4.120 1.035 0.000 0.311 97 V C 0.285 176.285 176.094 -0.158 0.000 1.181 97 V CA -1.228 60.860 62.300 -0.353 0.000 1.054 97 V CB 1.776 32.965 31.823 -1.056 0.000 1.085 97 V HN -0.244 nan 8.190 nan 0.000 0.446 98 V N 2.093 122.058 119.914 0.085 0.000 2.470 98 V HA 0.311 5.052 4.120 1.035 0.000 0.276 98 V C 1.430 177.690 176.094 0.277 0.000 1.040 98 V CA 0.957 63.383 62.300 0.208 0.000 1.008 98 V CB 0.461 32.500 31.823 0.359 0.000 0.990 98 V HN 1.214 nan 8.190 nan 0.000 0.477 99 T N 1.288 115.940 114.554 0.163 0.000 2.975 99 T HA 0.407 5.378 4.350 1.035 0.000 0.257 99 T C 0.294 175.116 174.700 0.204 0.000 1.003 99 T CA -0.160 62.094 62.100 0.257 0.000 0.932 99 T CB 0.440 69.379 68.868 0.119 0.000 1.087 99 T HN 0.321 nan 8.240 nan 0.000 0.512 100 M N 2.718 122.364 119.600 0.076 0.000 2.433 100 M HA 0.428 5.529 4.480 1.035 0.000 0.290 100 M C -0.382 175.864 176.300 -0.090 0.000 1.173 100 M CA -0.461 54.821 55.300 -0.029 0.000 0.905 100 M CB 2.238 34.821 32.600 -0.028 0.000 1.692 100 M HN 0.302 nan 8.290 nan 0.000 0.462 101 T N -1.212 113.168 114.554 -0.289 0.000 2.862 101 T HA 0.452 5.423 4.350 1.035 0.000 0.276 101 T C 0.952 175.438 174.700 -0.357 0.000 0.974 101 T CA -0.605 61.222 62.100 -0.456 0.000 0.966 101 T CB 1.422 69.488 68.868 -1.337 0.000 1.072 101 T HN 0.689 nan 8.240 nan 0.000 0.538 102 K N -0.172 120.103 120.400 -0.209 0.000 2.211 102 K HA -0.053 4.888 4.320 1.035 0.000 0.204 102 K C 1.358 178.038 176.600 0.133 0.000 1.047 102 K CA 1.744 58.061 56.287 0.048 0.000 0.935 102 K CB -0.221 32.416 32.500 0.228 0.000 0.728 102 K HN 0.881 nan 8.250 nan 0.000 0.452 103 W N 0.250 121.610 121.300 0.099 0.000 3.330 103 W HA 0.353 5.630 4.660 1.030 0.000 0.348 103 W C -0.632 175.926 176.519 0.064 0.000 1.205 103 W CA -0.755 56.636 57.345 0.076 0.000 1.841 103 W CB 0.337 29.844 29.460 0.078 0.000 1.084 103 W HN -0.201 nan 8.180 nan 0.000 0.665 104 K N -0.285 120.026 120.400 -0.148 0.000 3.291 104 K HA -0.169 4.772 4.320 1.035 0.000 0.290 104 K C 0.048 176.553 176.600 -0.158 0.000 1.235 104 K CA 1.108 57.329 56.287 -0.109 0.000 0.848 104 K CB -2.061 30.445 32.500 0.010 0.000 1.295 104 K HN 0.449 nan 8.250 nan 0.000 0.497 105 A N 0.864 123.472 122.820 -0.353 0.000 2.304 105 A HA 0.646 5.587 4.320 1.035 0.000 0.301 105 A C -2.173 175.228 177.584 -0.304 0.000 1.132 105 A CA -1.328 50.561 52.037 -0.246 0.000 0.819 105 A CB 0.473 19.372 19.000 -0.168 0.000 1.094 105 A HN 0.023 nan 8.150 nan 0.000 0.492 106 P HA 0.270 nan 4.420 nan 0.000 0.275 106 P C -0.764 176.330 177.300 -0.344 0.000 1.228 106 P CA -0.078 62.664 63.100 -0.597 0.000 0.786 106 P CB 1.088 32.039 31.700 -1.247 0.000 0.927 107 V N 3.812 123.632 119.914 -0.156 0.000 2.350 107 V HA 0.124 4.865 4.120 1.035 0.000 0.276 107 V C 0.513 176.686 176.094 0.131 0.000 1.028 107 V CA -0.720 61.554 62.300 -0.044 0.000 0.860 107 V CB 1.464 33.331 31.823 0.073 0.000 0.990 107 V HN 0.256 nan 8.190 nan 0.000 0.453 108 V N 5.146 125.052 119.914 -0.013 0.000 2.389 108 V HA 0.288 5.029 4.120 1.035 0.000 0.264 108 V C -0.420 175.773 176.094 0.165 0.000 1.049 108 V CA -0.362 62.065 62.300 0.211 0.000 0.932 108 V CB 0.109 31.962 31.823 0.051 0.000 1.011 108 V HN 0.845 nan 8.190 nan 0.000 0.475 109 W N 2.003 123.499 121.300 0.327 0.000 2.578 109 W HA 0.563 5.922 4.660 1.166 0.000 0.346 109 W C 0.379 177.074 176.519 0.293 0.000 1.075 109 W CA -0.935 56.554 57.345 0.240 0.000 1.233 109 W CB 0.863 30.385 29.460 0.103 0.000 1.358 109 W HN 0.460 nan 8.180 nan 0.000 0.574 110 E N 0.875 121.345 120.200 0.449 0.000 2.529 110 E HA 0.274 5.245 4.350 1.035 0.000 0.259 110 E C 1.129 177.787 176.600 0.097 0.000 0.966 110 E CA 2.120 58.689 56.400 0.282 0.000 0.937 110 E CB 0.211 29.991 29.700 0.133 0.000 0.923 110 E HN 0.665 nan 8.360 nan 0.000 0.468 111 G N 2.858 111.577 108.800 -0.135 0.000 2.258 111 G HA2 -0.354 4.227 3.960 1.035 0.000 0.233 111 G HA3 -0.354 4.227 3.960 1.035 0.000 0.233 111 G C 1.075 175.872 174.900 -0.171 0.000 1.006 111 G CA 0.901 45.902 45.100 -0.165 0.000 0.620 111 G HN 0.854 nan 8.290 nan 0.000 0.511 112 T N -1.319 113.199 114.554 -0.059 0.000 3.067 112 T HA 0.398 5.369 4.350 1.035 0.000 0.261 112 T C 0.980 175.680 174.700 -0.001 0.000 1.110 112 T CA 1.268 63.300 62.100 -0.114 0.000 1.113 112 T CB -0.178 68.635 68.868 -0.092 0.000 0.917 112 T HN 1.337 nan 8.240 nan 0.000 0.499 113 Y N 0.115 120.533 120.300 0.197 0.000 2.446 113 Y HA 0.730 5.908 4.550 1.047 0.000 0.338 113 Y C -0.343 175.720 175.900 0.272 0.000 1.055 113 Y CA -2.365 55.962 58.100 0.379 0.000 1.101 113 Y CB 0.798 39.564 38.460 0.511 0.000 1.221 113 Y HN -0.180 nan 8.280 nan 0.000 0.460 114 N N 3.525 122.508 118.700 0.471 0.000 2.801 114 N HA 0.158 5.519 4.740 1.035 0.000 0.235 114 N C 0.688 176.415 175.510 0.361 0.000 1.069 114 N CA -0.218 53.016 53.050 0.306 0.000 0.946 114 N CB 0.440 39.071 38.487 0.240 0.000 1.212 114 N HN 0.970 nan 8.380 nan 0.000 0.509 115 R N 2.236 122.973 120.500 0.395 0.000 2.120 115 R HA -0.056 4.905 4.340 1.035 0.000 0.234 115 R C 1.558 177.986 176.300 0.214 0.000 1.123 115 R CA 1.552 57.842 56.100 0.318 0.000 0.975 115 R CB 0.145 30.648 30.300 0.338 0.000 0.866 115 R HN 0.531 nan 8.270 nan 0.000 0.446 116 A N 0.010 122.939 122.820 0.181 0.000 1.930 116 A HA -0.077 4.864 4.320 1.035 0.000 0.217 116 A C 2.186 179.856 177.584 0.142 0.000 1.175 116 A CA 1.234 53.356 52.037 0.142 0.000 0.627 116 A CB -0.408 18.658 19.000 0.110 0.000 0.815 116 A HN 0.200 nan 8.150 nan 0.000 0.443 117 V N 0.185 120.189 119.914 0.150 0.000 2.343 117 V HA -0.259 4.482 4.120 1.035 0.000 0.247 117 V C 2.561 178.734 176.094 0.133 0.000 1.051 117 V CA 2.035 64.418 62.300 0.138 0.000 1.036 117 V CB -0.668 31.245 31.823 0.150 0.000 0.654 117 V HN 0.575 nan 8.190 nan 0.000 0.451 118 L N -0.613 120.689 121.223 0.132 0.000 2.109 118 L HA -0.129 4.831 4.340 1.035 0.000 0.207 118 L C 2.358 179.362 176.870 0.223 0.000 1.086 118 L CA 1.317 56.210 54.840 0.089 0.000 0.760 118 L CB -0.717 41.367 42.059 0.041 0.000 0.910 118 L HN 0.316 nan 8.230 nan 0.000 0.437 119 D N 0.337 120.884 120.400 0.244 0.000 2.117 119 D HA -0.172 5.089 4.640 1.035 0.000 0.197 119 D C 1.877 178.342 176.300 0.275 0.000 0.987 119 D CA 1.306 55.507 54.000 0.334 0.000 0.829 119 D CB -0.232 40.723 40.800 0.259 0.000 0.961 119 D HN 0.393 nan 8.370 nan 0.000 0.460 120 N N -0.797 118.014 118.700 0.184 0.000 2.142 120 N HA -0.168 5.192 4.740 1.035 0.000 0.186 120 N C 1.736 177.323 175.510 0.128 0.000 1.023 120 N CA 0.520 53.653 53.050 0.137 0.000 0.852 120 N CB -0.144 38.409 38.487 0.110 0.000 0.998 120 N HN 0.151 nan 8.380 nan 0.000 0.424 121 Y N 0.446 120.735 120.300 -0.018 0.000 2.128 121 Y HA -0.272 4.898 4.550 1.034 0.000 0.284 121 Y C 1.552 177.387 175.900 -0.108 0.000 1.154 121 Y CA 1.637 59.660 58.100 -0.127 0.000 1.149 121 Y CB -0.405 37.870 38.460 -0.308 0.000 0.976 121 Y HN 0.165 nan 8.280 nan 0.000 0.505 122 Y N -0.913 119.438 120.300 0.085 0.000 2.337 122 Y HA -0.032 5.139 4.550 1.036 0.000 0.293 122 Y C 2.563 178.489 175.900 0.045 0.000 1.123 122 Y CA 0.486 58.577 58.100 -0.014 0.000 1.201 122 Y CB -0.441 37.989 38.460 -0.051 0.000 1.011 122 Y HN 0.222 nan 8.280 nan 0.000 0.545 123 A N 0.592 123.593 122.820 0.303 0.000 1.933 123 A HA -0.202 4.738 4.320 1.035 0.000 0.218 123 A C 2.043 179.670 177.584 0.071 0.000 1.175 123 A CA 1.616 53.774 52.037 0.202 0.000 0.628 123 A CB -0.406 18.671 19.000 0.127 0.000 0.814 123 A HN 0.370 nan 8.150 nan 0.000 0.444 124 K N -0.429 119.972 120.400 0.002 0.000 2.283 124 K HA -0.093 4.848 4.320 1.035 0.000 0.202 124 K C 1.884 178.439 176.600 -0.075 0.000 1.048 124 K CA 1.187 57.445 56.287 -0.048 0.000 0.948 124 K CB -0.092 32.361 32.500 -0.078 0.000 0.742 124 K HN 0.611 nan 8.250 nan 0.000 0.458 125 Q N 0.660 120.400 119.800 -0.100 0.000 2.432 125 Q HA 0.024 4.985 4.340 1.035 0.000 0.205 125 Q C -0.467 175.545 176.000 0.020 0.000 0.945 125 Q CA 0.200 55.962 55.803 -0.068 0.000 0.924 125 Q CB 0.192 28.873 28.738 -0.095 0.000 1.016 125 Q HN 0.128 nan 8.270 nan 0.000 0.503 126 K N 1.392 121.825 120.400 0.056 0.000 3.653 126 K HA -0.177 4.763 4.320 1.035 0.000 0.275 126 K C -0.122 176.529 176.600 0.086 0.000 0.962 126 K CA 0.236 56.566 56.287 0.072 0.000 0.773 126 K CB -2.073 30.451 32.500 0.039 0.000 1.463 126 K HN 0.427 nan 8.250 nan 0.000 0.450 127 I N -2.728 117.918 120.570 0.127 0.000 2.834 127 I HA 0.385 5.175 4.170 1.035 0.000 0.305 127 I C 0.253 176.424 176.117 0.089 0.000 1.008 127 I CA -0.314 61.048 61.300 0.104 0.000 1.273 127 I CB 1.491 39.562 38.000 0.118 0.000 1.432 127 I HN -0.032 nan 8.210 nan 0.000 0.557 128 T N 3.584 118.182 114.554 0.073 0.000 2.861 128 T HA 0.563 5.533 4.350 1.035 0.000 0.287 128 T C -0.537 174.219 174.700 0.093 0.000 1.003 128 T CA -0.457 61.684 62.100 0.070 0.000 0.977 128 T CB 1.876 70.781 68.868 0.061 0.000 0.996 128 T HN 0.450 nan 8.240 nan 0.000 0.448 129 V N 2.231 122.203 119.914 0.096 0.000 2.459 129 V HA 0.786 5.527 4.120 1.035 0.000 0.295 129 V C 0.719 176.957 176.094 0.240 0.000 1.029 129 V CA -0.752 61.654 62.300 0.177 0.000 0.874 129 V CB 1.724 33.612 31.823 0.108 0.000 0.985 129 V HN 1.030 nan 8.190 nan 0.000 0.438 130 G N 2.971 111.958 108.800 0.312 0.000 2.434 130 G HA2 0.680 5.260 3.960 1.035 0.000 0.330 130 G HA3 0.680 5.260 3.960 1.035 0.000 0.330 130 G C -1.510 173.634 174.900 0.406 0.000 1.155 130 G CA -0.505 44.802 45.100 0.345 0.000 0.917 130 G HN 0.586 nan 8.290 nan 0.000 0.493 131 L N 1.190 122.612 121.223 0.330 0.000 2.528 131 L HA 0.532 5.493 4.340 1.035 0.000 0.267 131 L C 0.320 177.383 176.870 0.322 0.000 0.961 131 L CA -0.507 54.491 54.840 0.263 0.000 0.866 131 L CB 1.757 43.848 42.059 0.054 0.000 1.248 131 L HN 0.732 nan 8.230 nan 0.000 0.404 132 T N 1.762 116.466 114.554 0.250 0.000 2.882 132 T HA 0.753 5.724 4.350 1.035 0.000 0.287 132 T C -0.516 174.231 174.700 0.078 0.000 0.992 132 T CA -0.697 61.511 62.100 0.181 0.000 1.076 132 T CB 1.690 70.622 68.868 0.108 0.000 0.961 132 T HN 0.615 nan 8.240 nan 0.000 0.490 133 V N 3.518 123.424 119.914 -0.013 0.000 2.851 133 V HA 0.660 5.401 4.120 1.035 0.000 0.307 133 V C -1.913 174.104 176.094 -0.128 0.000 1.129 133 V CA -1.111 61.125 62.300 -0.107 0.000 0.932 133 V CB 1.657 33.261 31.823 -0.365 0.000 1.024 133 V HN 0.902 nan 8.190 nan 0.000 0.426 134 F N 4.615 124.471 119.950 -0.157 0.000 2.443 134 F HA 0.876 6.022 4.527 1.031 0.000 0.335 134 F C 0.526 176.268 175.800 -0.096 0.000 1.104 134 F CA -0.278 57.660 58.000 -0.104 0.000 1.013 134 F CB 2.164 41.100 39.000 -0.106 0.000 1.136 134 F HN 0.682 nan 8.300 nan 0.000 0.470 135 A N 2.953 125.833 122.820 0.100 0.000 2.446 135 A HA 0.735 5.676 4.320 1.035 0.000 0.282 135 A C -1.722 175.925 177.584 0.105 0.000 1.102 135 A CA -0.579 51.526 52.037 0.113 0.000 0.737 135 A CB 0.816 19.891 19.000 0.125 0.000 1.212 135 A HN 0.500 nan 8.150 nan 0.000 0.434 136 V N 2.499 122.458 119.914 0.075 0.000 2.495 136 V HA 0.824 5.565 4.120 1.035 0.000 0.298 136 V C 0.999 177.161 176.094 0.113 0.000 1.031 136 V CA 0.740 63.082 62.300 0.070 0.000 0.871 136 V CB 0.830 32.672 31.823 0.031 0.000 0.988 136 V HN 2.281 nan 8.190 nan 0.000 0.432 137 G N 4.975 113.844 108.800 0.116 0.000 2.525 137 G HA2 -0.214 4.367 3.960 1.035 0.000 0.248 137 G HA3 -0.214 4.367 3.960 1.035 0.000 0.248 137 G C 0.584 175.578 174.900 0.156 0.000 1.238 137 G CA 0.211 45.392 45.100 0.134 0.000 0.926 137 G HN 0.579 nan 8.290 nan 0.000 0.574 138 R N -0.326 120.258 120.500 0.141 0.000 2.293 138 R HA 0.033 4.994 4.340 1.035 0.000 0.219 138 R C 2.286 178.603 176.300 0.028 0.000 1.091 138 R CA 1.712 57.843 56.100 0.051 0.000 1.004 138 R CB -1.032 29.225 30.300 -0.071 0.000 0.865 138 R HN 0.674 nan 8.270 nan 0.000 0.469 139 Y N 0.048 120.348 120.300 -0.001 0.000 2.333 139 Y HA -0.160 5.008 4.550 1.031 0.000 0.290 139 Y C 2.148 178.098 175.900 0.084 0.000 1.144 139 Y CA 0.821 58.973 58.100 0.086 0.000 1.228 139 Y CB -0.249 38.317 38.460 0.177 0.000 0.985 139 Y HN -0.021 nan 8.280 nan 0.000 0.542 140 I N -0.164 120.525 120.570 0.198 0.000 2.113 140 I HA -0.274 4.517 4.170 1.035 0.000 0.238 140 I C 1.958 178.119 176.117 0.075 0.000 1.070 140 I CA 1.524 62.899 61.300 0.126 0.000 1.332 140 I CB -0.315 37.741 38.000 0.094 0.000 1.044 140 I HN 0.115 nan 8.210 nan 0.000 0.402 141 E N -0.197 120.034 120.200 0.051 0.000 2.150 141 E HA -0.172 4.799 4.350 1.035 0.000 0.193 141 E C 2.130 178.694 176.600 -0.061 0.000 0.985 141 E CA 0.947 57.352 56.400 0.009 0.000 0.814 141 E CB -0.259 29.453 29.700 0.020 0.000 0.752 141 E HN 0.502 nan 8.360 nan 0.000 0.466 142 H N -1.802 117.088 119.070 -0.300 0.000 2.395 142 H HA -0.036 5.140 4.556 1.033 0.000 0.299 142 H C 0.922 175.936 175.328 -0.523 0.000 1.070 142 H CA 1.458 57.141 56.048 -0.609 0.000 1.356 142 H CB 0.317 29.336 29.762 -1.238 0.000 1.401 142 H HN 0.315 nan 8.280 nan 0.000 0.524 143 Y N -1.939 118.439 120.300 0.129 0.000 2.494 143 Y HA -0.008 5.168 4.550 1.043 0.000 0.271 143 Y C 1.953 177.921 175.900 0.113 0.000 1.113 143 Y CA -0.371 57.796 58.100 0.112 0.000 1.240 143 Y CB 0.367 38.894 38.460 0.111 0.000 1.268 143 Y HN -0.036 nan 8.280 nan 0.000 0.510 144 L N 1.353 122.705 121.223 0.215 0.000 2.056 144 L HA -0.106 4.854 4.340 1.035 0.000 0.207 144 L C 2.175 179.123 176.870 0.129 0.000 1.078 144 L CA 1.965 56.898 54.840 0.156 0.000 0.749 144 L CB -0.447 41.664 42.059 0.087 0.000 0.901 144 L HN 0.241 nan 8.230 nan 0.000 0.433 145 E N -0.475 119.770 120.200 0.076 0.000 2.038 145 E HA -0.274 4.697 4.350 1.035 0.000 0.195 145 E C 2.056 178.689 176.600 0.054 0.000 1.000 145 E CA 1.746 58.166 56.400 0.032 0.000 0.803 145 E CB -0.133 29.572 29.700 0.009 0.000 0.750 145 E HN 0.599 nan 8.360 nan 0.000 0.448 146 E N -0.465 119.796 120.200 0.102 0.000 2.118 146 E HA -0.201 4.770 4.350 1.035 0.000 0.195 146 E C 1.851 178.527 176.600 0.126 0.000 0.992 146 E CA 1.025 57.491 56.400 0.110 0.000 0.804 146 E CB -0.213 29.577 29.700 0.150 0.000 0.741 146 E HN 0.301 nan 8.360 nan 0.000 0.458 147 F N 1.262 121.237 119.950 0.041 0.000 2.075 147 F HA -0.202 4.940 4.527 1.024 0.000 0.297 147 F C 1.958 177.720 175.800 -0.063 0.000 1.113 147 F CA 1.428 59.440 58.000 0.020 0.000 1.218 147 F CB -0.147 38.852 39.000 -0.003 0.000 0.984 147 F HN -0.089 nan 8.300 nan 0.000 0.472 148 L N -0.644 120.547 121.223 -0.053 0.000 2.093 148 L HA -0.195 4.766 4.340 1.035 0.000 0.208 148 L C 2.334 178.997 176.870 -0.345 0.000 1.085 148 L CA 1.604 56.237 54.840 -0.345 0.000 0.755 148 L CB -1.115 40.779 42.059 -0.275 0.000 0.904 148 L HN 0.157 nan 8.230 nan 0.000 0.435 149 T N -0.658 113.788 114.554 -0.180 0.000 2.746 149 T HA -0.178 4.792 4.350 1.035 0.000 0.267 149 T C 2.126 176.733 174.700 -0.156 0.000 1.039 149 T CA 1.760 63.779 62.100 -0.137 0.000 1.142 149 T CB -0.186 68.643 68.868 -0.065 0.000 0.866 149 T HN 0.552 nan 8.240 nan 0.000 0.444 150 S N 1.589 117.212 115.700 -0.129 0.000 2.395 150 S HA 0.148 5.239 4.470 1.035 0.000 0.225 150 S C 2.425 176.882 174.600 -0.238 0.000 1.027 150 S CA 0.755 58.928 58.200 -0.044 0.000 0.965 150 S CB -0.493 62.800 63.200 0.155 0.000 0.812 150 S HN 0.466 nan 8.310 nan 0.000 0.482 151 A N 2.753 125.253 122.820 -0.533 0.000 1.902 151 A HA -0.117 4.824 4.320 1.035 0.000 0.217 151 A C 2.101 179.442 177.584 -0.406 0.000 1.181 151 A CA 1.839 53.302 52.037 -0.957 0.000 0.623 151 A CB -1.385 16.916 19.000 -1.164 0.000 0.818 151 A HN 0.647 nan 8.150 nan 0.000 0.443 152 N N -0.171 118.377 118.700 -0.255 0.000 2.104 152 N HA -0.211 5.150 4.740 1.035 0.000 0.190 152 N C 1.689 177.148 175.510 -0.085 0.000 1.024 152 N CA 2.139 55.190 53.050 0.001 0.000 0.853 152 N CB -0.258 38.214 38.487 -0.025 0.000 1.008 152 N HN 0.559 nan 8.380 nan 0.000 0.424 153 K N -1.706 118.557 120.400 -0.230 0.000 2.167 153 K HA -0.072 4.869 4.320 1.035 0.000 0.203 153 K C 0.846 177.212 176.600 -0.390 0.000 1.052 153 K CA 1.062 57.132 56.287 -0.363 0.000 0.956 153 K CB 0.072 32.232 32.500 -0.567 0.000 0.735 153 K HN 0.398 nan 8.250 nan 0.000 0.451 154 H N -2.224 116.771 119.070 -0.124 0.000 3.255 154 H HA 0.068 5.252 4.556 1.047 0.000 0.256 154 H C -0.729 174.544 175.328 -0.093 0.000 1.049 154 H CA -0.316 55.686 56.048 -0.078 0.000 1.202 154 H CB 0.295 30.055 29.762 -0.003 0.000 1.497 154 H HN 0.028 nan 8.280 nan 0.000 0.503 155 F N 3.497 123.257 119.950 -0.317 0.000 2.404 155 F HA 0.261 5.394 4.527 1.010 0.000 0.358 155 F C 0.627 176.401 175.800 -0.044 0.000 1.120 155 F CA -0.649 57.186 58.000 -0.276 0.000 1.144 155 F CB 0.393 39.073 39.000 -0.534 0.000 1.133 155 F HN -0.036 nan 8.300 nan 0.000 0.495 156 M N 5.173 124.541 119.600 -0.386 0.000 2.360 156 M HA -0.181 4.920 4.480 1.035 0.000 0.202 156 M C -0.559 175.723 176.300 -0.031 0.000 0.390 156 M CA 0.287 55.406 55.300 -0.302 0.000 0.470 156 M CB -2.851 29.403 32.600 -0.577 0.000 1.637 156 M HN 0.199 nan 8.290 nan 0.000 0.885 157 V N 0.411 120.331 119.914 0.010 0.000 2.617 157 V HA 0.355 5.096 4.120 1.035 0.000 0.304 157 V C 1.713 177.807 176.094 -0.000 0.000 1.040 157 V CA 1.740 64.048 62.300 0.014 0.000 1.149 157 V CB 0.906 32.744 31.823 0.024 0.000 0.914 157 V HN 1.003 nan 8.190 nan 0.000 0.487 158 G N 3.405 112.149 108.800 -0.093 0.000 2.194 158 G HA2 -0.162 4.419 3.960 1.035 0.000 0.236 158 G HA3 -0.162 4.419 3.960 1.035 0.000 0.236 158 G C 0.040 174.601 174.900 -0.565 0.000 0.987 158 G CA -0.024 44.910 45.100 -0.278 0.000 0.635 158 G HN 0.768 nan 8.290 nan 0.000 0.520 159 H N 0.313 119.358 119.070 -0.042 0.000 2.690 159 H HA 0.419 5.596 4.556 1.035 0.000 0.368 159 H C -2.662 172.633 175.328 -0.056 0.000 1.150 159 H CA -1.787 54.235 56.048 -0.043 0.000 1.174 159 H CB 2.082 31.805 29.762 -0.065 0.000 1.684 159 H HN 0.022 nan 8.280 nan 0.000 0.538 160 P HA 0.010 nan 4.420 nan 0.000 0.264 160 P C -0.455 176.837 177.300 -0.014 0.000 1.193 160 P CA 0.101 63.202 63.100 0.003 0.000 0.763 160 P CB 0.635 32.342 31.700 0.012 0.000 0.810 161 V N 5.335 125.190 119.914 -0.098 0.000 2.735 161 V HA 0.446 5.187 4.120 1.035 0.000 0.310 161 V C 0.081 175.967 176.094 -0.347 0.000 1.061 161 V CA -0.570 61.626 62.300 -0.174 0.000 0.913 161 V CB 2.096 33.794 31.823 -0.208 0.000 1.005 161 V HN 0.336 nan 8.190 nan 0.000 0.428 162 I N 4.249 124.612 120.570 -0.344 0.000 2.410 162 I HA 0.458 5.249 4.170 1.035 0.000 0.286 162 I C -0.909 174.861 176.117 -0.578 0.000 1.009 162 I CA -0.206 60.812 61.300 -0.470 0.000 1.111 162 I CB 1.425 39.180 38.000 -0.407 0.000 1.262 162 I HN 0.421 nan 8.210 nan 0.000 0.443 163 F N 5.408 125.228 119.950 -0.216 0.000 2.420 163 F HA 0.359 5.504 4.527 1.029 0.000 0.352 163 F C -0.312 175.385 175.800 -0.171 0.000 1.108 163 F CA -0.619 57.286 58.000 -0.158 0.000 1.162 163 F CB 0.597 39.570 39.000 -0.044 0.000 1.118 163 F HN 0.318 nan 8.300 nan 0.000 0.510 164 Y N 4.330 124.814 120.300 0.307 0.000 2.417 164 Y HA 0.496 5.665 4.550 1.032 0.000 0.336 164 Y C -0.192 175.779 175.900 0.118 0.000 0.961 164 Y CA -0.739 57.507 58.100 0.244 0.000 1.215 164 Y CB 0.699 39.292 38.460 0.222 0.000 1.120 164 Y HN 0.381 nan 8.280 nan 0.000 0.499 165 I N 5.198 125.916 120.570 0.246 0.000 2.339 165 I HA 0.318 5.109 4.170 1.035 0.000 0.290 165 I C -0.634 175.487 176.117 0.008 0.000 0.994 165 I CA -0.551 60.793 61.300 0.073 0.000 1.191 165 I CB 0.859 38.910 38.000 0.084 0.000 1.343 165 I HN 0.430 nan 8.210 nan 0.000 0.458 166 M N 7.961 127.427 119.600 -0.223 0.000 2.114 166 M HA 0.582 5.683 4.480 1.035 0.000 0.332 166 M C -0.523 175.698 176.300 -0.131 0.000 1.014 166 M CA -0.751 54.375 55.300 -0.290 0.000 0.956 166 M CB 1.203 33.239 32.600 -0.941 0.000 1.551 166 M HN 0.387 nan 8.290 nan 0.000 0.427 167 V N 0.462 120.371 119.914 -0.009 0.000 3.078 167 V HA 0.603 5.343 4.120 1.035 0.000 0.311 167 V C 0.324 176.453 176.094 0.058 0.000 1.138 167 V CA -0.799 61.523 62.300 0.037 0.000 1.007 167 V CB 2.264 34.112 31.823 0.042 0.000 1.045 167 V HN 0.823 nan 8.190 nan 0.000 0.432 168 D N -0.104 120.335 120.400 0.065 0.000 2.333 168 D HA 0.050 5.311 4.640 1.035 0.000 0.208 168 D C 0.072 176.405 176.300 0.055 0.000 0.984 168 D CA 0.652 54.690 54.000 0.063 0.000 0.873 168 D CB 0.474 41.310 40.800 0.062 0.000 0.935 168 D HN 0.682 nan 8.370 nan 0.000 0.521 169 D N 0.367 120.799 120.400 0.053 0.000 2.386 169 D HA 0.112 5.373 4.640 1.035 0.000 0.247 169 D C 0.901 177.227 176.300 0.044 0.000 1.336 169 D CA -0.617 53.410 54.000 0.046 0.000 0.976 169 D CB 1.969 42.795 40.800 0.044 0.000 1.257 169 D HN -0.257 nan 8.370 nan 0.000 0.570 170 V N 2.688 122.627 119.914 0.041 0.000 2.759 170 V HA -0.151 4.590 4.120 1.035 0.000 0.256 170 V C 2.364 178.480 176.094 0.036 0.000 1.080 170 V CA 1.912 64.236 62.300 0.040 0.000 1.101 170 V CB -0.523 31.320 31.823 0.034 0.000 0.698 170 V HN 0.672 nan 8.190 nan 0.000 0.477 171 S N 0.396 116.115 115.700 0.032 0.000 2.507 171 S HA -0.092 4.999 4.470 1.035 0.000 0.235 171 S C 1.753 176.370 174.600 0.029 0.000 0.988 171 S CA 0.730 58.946 58.200 0.028 0.000 0.944 171 S CB -0.344 62.871 63.200 0.024 0.000 0.762 171 S HN 0.640 nan 8.310 nan 0.000 0.526 172 R N 0.191 120.711 120.500 0.032 0.000 2.362 172 R HA 0.327 5.288 4.340 1.035 0.000 0.227 172 R C 0.404 176.723 176.300 0.031 0.000 0.905 172 R CA -0.097 56.022 56.100 0.032 0.000 1.067 172 R CB -0.080 30.242 30.300 0.037 0.000 1.078 172 R HN 0.568 nan 8.270 nan 0.000 0.516 173 M N 3.240 122.860 119.600 0.034 0.000 2.268 173 M HA 0.166 5.266 4.480 1.035 0.000 0.349 173 M C -2.232 174.078 176.300 0.017 0.000 1.485 173 M CA -1.229 54.090 55.300 0.031 0.000 1.094 173 M CB 0.597 33.228 32.600 0.051 0.000 1.843 173 M HN -0.259 nan 8.290 nan 0.000 0.460 174 P HA 0.134 nan 4.420 nan 0.000 0.281 174 P C -1.081 176.190 177.300 -0.048 0.000 1.286 174 P CA 0.075 63.164 63.100 -0.018 0.000 0.772 174 P CB 0.425 32.111 31.700 -0.023 0.000 0.862 175 L N 5.502 126.716 121.223 -0.015 0.000 2.536 175 L HA 0.241 5.202 4.340 1.035 0.000 0.242 175 L C 1.219 178.079 176.870 -0.018 0.000 1.280 175 L CA -0.864 53.977 54.840 0.001 0.000 1.221 175 L CB -0.460 41.647 42.059 0.081 0.000 1.449 175 L HN 0.389 nan 8.230 nan 0.000 0.405 176 I N -2.219 118.303 120.570 -0.080 0.000 3.060 176 I HA 0.120 4.911 4.170 1.035 0.000 0.285 176 I C 0.508 176.608 176.117 -0.028 0.000 1.190 176 I CA -0.314 60.950 61.300 -0.061 0.000 1.363 176 I CB 0.556 38.499 38.000 -0.094 0.000 1.396 176 I HN 0.366 nan 8.210 nan 0.000 0.607 177 E N 3.809 124.002 120.200 -0.011 0.000 2.289 177 E HA 0.379 5.350 4.350 1.035 0.000 0.278 177 E C -1.187 175.420 176.600 0.011 0.000 1.032 177 E CA -0.552 55.856 56.400 0.012 0.000 0.854 177 E CB 0.896 30.602 29.700 0.009 0.000 1.046 177 E HN 0.535 nan 8.360 nan 0.000 0.409 178 L N 3.186 124.437 121.223 0.046 0.000 2.344 178 L HA 0.546 5.507 4.340 1.035 0.000 0.272 178 L C 0.810 177.705 176.870 0.041 0.000 1.035 178 L CA -0.794 54.084 54.840 0.062 0.000 0.807 178 L CB 1.698 43.833 42.059 0.127 0.000 1.237 178 L HN 0.656 nan 8.230 nan 0.000 0.442 179 G N 0.873 109.692 108.800 0.031 0.000 2.568 179 G HA2 0.544 5.125 3.960 1.035 0.000 0.293 179 G HA3 0.544 5.125 3.960 1.035 0.000 0.293 179 G C -2.683 172.219 174.900 0.004 0.000 1.347 179 G CA -1.282 43.823 45.100 0.009 0.000 1.039 179 G HN 0.336 nan 8.290 nan 0.000 0.523 180 P HA 0.195 nan 4.420 nan 0.000 0.265 180 P C 0.571 177.856 177.300 -0.025 0.000 1.193 180 P CA 0.186 63.276 63.100 -0.016 0.000 0.765 180 P CB 0.483 32.170 31.700 -0.021 0.000 0.823 181 L N -1.412 119.793 121.223 -0.031 0.000 4.759 181 L HA -0.272 4.689 4.340 1.035 0.000 0.419 181 L C 0.197 177.025 176.870 -0.070 0.000 1.093 181 L CA 0.721 55.535 54.840 -0.044 0.000 1.037 181 L CB -1.076 40.955 42.059 -0.046 0.000 2.095 181 L HN 0.494 nan 8.230 nan 0.000 0.739 182 R N 0.249 120.710 120.500 -0.065 0.000 2.589 182 R HA 0.774 5.735 4.340 1.035 0.000 0.293 182 R C 0.068 176.330 176.300 -0.063 0.000 0.963 182 R CA 0.346 56.370 56.100 -0.127 0.000 0.905 182 R CB 1.993 32.272 30.300 -0.034 0.000 1.144 182 R HN 0.251 nan 8.270 nan 0.000 0.459 183 S N 1.151 116.787 115.700 -0.107 0.000 2.671 183 S HA 0.826 5.916 4.470 1.035 0.000 0.277 183 S C -1.106 173.570 174.600 0.128 0.000 1.165 183 S CA -0.938 57.283 58.200 0.034 0.000 0.822 183 S CB 1.307 64.486 63.200 -0.036 0.000 1.150 183 S HN 0.553 nan 8.310 nan 0.000 0.479 184 F N -1.153 118.755 119.950 -0.070 0.000 2.789 184 F HA 0.904 6.052 4.527 1.036 0.000 0.319 184 F C -1.656 174.099 175.800 -0.075 0.000 1.168 184 F CA -1.109 56.858 58.000 -0.056 0.000 0.934 184 F CB 1.260 40.309 39.000 0.081 0.000 1.375 184 F HN 0.986 nan 8.300 nan 0.000 0.480 185 K N 0.743 121.145 120.400 0.003 0.000 2.551 185 K HA 0.795 5.736 4.320 1.035 0.000 0.269 185 K C -2.416 174.128 176.600 -0.094 0.000 0.949 185 K CA -1.040 55.103 56.287 -0.241 0.000 0.849 185 K CB 2.545 34.859 32.500 -0.310 0.000 1.411 185 K HN 0.622 nan 8.250 nan 0.000 0.432 186 V N 1.785 121.510 119.914 -0.316 0.000 2.604 186 V HA 0.583 5.324 4.120 1.035 0.000 0.305 186 V C -1.301 174.516 176.094 -0.461 0.000 1.043 186 V CA -0.693 61.496 62.300 -0.185 0.000 0.888 186 V CB 1.071 32.910 31.823 0.026 0.000 0.995 186 V HN 0.676 nan 8.190 nan 0.000 0.429 187 F N 2.025 121.992 119.950 0.029 0.000 2.540 187 F HA 0.525 5.672 4.527 1.033 0.000 0.317 187 F C 0.142 175.945 175.800 0.006 0.000 1.104 187 F CA -0.797 57.218 58.000 0.026 0.000 0.913 187 F CB 2.001 41.029 39.000 0.046 0.000 1.170 187 F HN 0.303 nan 8.300 nan 0.000 0.450 188 K N 5.126 125.645 120.400 0.199 0.000 2.276 188 K HA 0.553 5.494 4.320 1.035 0.000 0.285 188 K C -0.749 175.927 176.600 0.127 0.000 1.062 188 K CA -0.262 56.100 56.287 0.125 0.000 0.918 188 K CB 0.473 33.028 32.500 0.091 0.000 1.055 188 K HN 0.757 nan 8.250 nan 0.000 0.477 189 I N 0.169 120.798 120.570 0.098 0.000 2.910 189 I HA 0.442 5.233 4.170 1.035 0.000 0.310 189 I C -0.531 175.631 176.117 0.075 0.000 1.043 189 I CA -1.237 60.118 61.300 0.092 0.000 1.053 189 I CB 1.585 39.649 38.000 0.107 0.000 1.242 189 I HN 0.458 nan 8.210 nan 0.000 0.452 190 K N 3.875 124.314 120.400 0.064 0.000 2.368 190 K HA 0.337 5.278 4.320 1.035 0.000 0.282 190 K C -2.322 174.308 176.600 0.050 0.000 1.035 190 K CA -1.337 54.979 56.287 0.049 0.000 0.973 190 K CB 0.499 33.021 32.500 0.036 0.000 0.957 190 K HN 0.486 nan 8.250 nan 0.000 0.474 191 P HA 0.126 nan 4.420 nan 0.000 0.287 191 P C -1.017 176.297 177.300 0.024 0.000 1.294 191 P CA -0.288 62.835 63.100 0.039 0.000 0.776 191 P CB 0.999 32.724 31.700 0.041 0.000 0.889 192 E N 2.938 123.146 120.200 0.012 0.000 2.390 192 E HA 0.028 4.999 4.350 1.035 0.000 0.261 192 E C 1.040 177.637 176.600 -0.005 0.000 1.076 192 E CA -0.114 56.284 56.400 -0.005 0.000 0.905 192 E CB 0.879 30.564 29.700 -0.025 0.000 0.984 192 E HN 0.398 nan 8.360 nan 0.000 0.427 193 K N 1.266 121.657 120.400 -0.015 0.000 2.103 193 K HA -0.034 4.907 4.320 1.035 0.000 0.204 193 K C 0.716 177.305 176.600 -0.018 0.000 1.052 193 K CA 0.986 57.267 56.287 -0.009 0.000 0.945 193 K CB 0.067 32.557 32.500 -0.016 0.000 0.722 193 K HN 0.169 nan 8.250 nan 0.000 0.443 194 R N 1.168 121.627 120.500 -0.069 0.000 2.346 194 R HA 0.107 5.068 4.340 1.035 0.000 0.311 194 R C 0.844 177.055 176.300 -0.147 0.000 0.983 194 R CA -0.624 55.391 56.100 -0.143 0.000 0.880 194 R CB 0.647 30.793 30.300 -0.258 0.000 1.100 194 R HN 0.355 nan 8.270 nan 0.000 0.453 195 W N 3.431 124.668 121.300 -0.104 0.000 2.342 195 W HA -0.250 5.029 4.660 1.033 0.000 0.297 195 W C 0.389 176.785 176.519 -0.204 0.000 1.213 195 W CA 0.906 58.166 57.345 -0.141 0.000 1.251 195 W CB -0.348 29.041 29.460 -0.120 0.000 1.136 195 W HN 0.565 nan 8.180 nan 0.000 0.526 196 Q N 1.109 120.256 119.800 -1.088 0.000 2.135 196 Q HA -0.168 4.793 4.340 1.035 0.000 0.204 196 Q C 1.803 177.518 176.000 -0.474 0.000 0.981 196 Q CA 2.376 57.510 55.803 -1.114 0.000 0.856 196 Q CB -0.587 27.366 28.738 -1.309 0.000 0.902 196 Q HN 0.254 nan 8.270 nan 0.000 0.425 197 D N -0.354 119.852 120.400 -0.324 0.000 2.234 197 D HA -0.006 5.255 4.640 1.035 0.000 0.205 197 D C 1.757 177.988 176.300 -0.113 0.000 0.962 197 D CA 0.514 54.414 54.000 -0.166 0.000 0.855 197 D CB 0.109 40.834 40.800 -0.125 0.000 0.951 197 D HN 0.272 nan 8.370 nan 0.000 0.500 198 I N 0.854 121.360 120.570 -0.107 0.000 2.163 198 I HA -0.260 4.531 4.170 1.035 0.000 0.243 198 I C 2.342 178.371 176.117 -0.145 0.000 1.085 198 I CA 0.868 62.112 61.300 -0.093 0.000 1.347 198 I CB -0.164 37.797 38.000 -0.065 0.000 1.044 198 I HN -0.112 nan 8.210 nan 0.000 0.408 199 S N 0.406 116.039 115.700 -0.112 0.000 2.368 199 S HA -0.113 4.978 4.470 1.035 0.000 0.224 199 S C 2.012 176.539 174.600 -0.121 0.000 1.029 199 S CA 1.395 59.531 58.200 -0.107 0.000 0.988 199 S CB -0.181 63.030 63.200 0.019 0.000 0.838 199 S HN 0.350 nan 8.310 nan 0.000 0.462 200 M N -0.058 119.495 119.600 -0.079 0.000 2.288 200 M HA 0.066 5.166 4.480 1.035 0.000 0.266 200 M C 2.139 178.441 176.300 0.003 0.000 1.072 200 M CA 0.941 56.235 55.300 -0.011 0.000 1.132 200 M CB -0.307 32.302 32.600 0.014 0.000 1.386 200 M HN 0.264 nan 8.290 nan 0.000 0.432 201 M N 0.325 119.892 119.600 -0.055 0.000 2.460 201 M HA -0.082 5.019 4.480 1.035 0.000 0.263 201 M C 1.822 177.938 176.300 -0.305 0.000 1.071 201 M CA 1.550 56.773 55.300 -0.127 0.000 1.096 201 M CB -0.311 32.237 32.600 -0.086 0.000 1.408 201 M HN 0.049 nan 8.290 nan 0.000 0.463 202 R N -0.902 119.342 120.500 -0.426 0.000 2.133 202 R HA -0.201 4.760 4.340 1.035 0.000 0.247 202 R C 1.948 178.047 176.300 -0.335 0.000 1.151 202 R CA 1.711 57.390 56.100 -0.702 0.000 0.971 202 R CB -0.543 29.188 30.300 -0.948 0.000 0.866 202 R HN 0.393 nan 8.270 nan 0.000 0.447 203 M N 0.676 120.134 119.600 -0.236 0.000 2.117 203 M HA -0.168 4.933 4.480 1.035 0.000 0.262 203 M C 2.202 178.319 176.300 -0.305 0.000 1.065 203 M CA 1.591 56.794 55.300 -0.163 0.000 1.114 203 M CB -0.767 31.804 32.600 -0.049 0.000 1.361 203 M HN 0.102 nan 8.290 nan 0.000 0.408 204 K N -0.123 119.868 120.400 -0.682 0.000 2.001 204 K HA -0.127 4.814 4.320 1.035 0.000 0.208 204 K C 1.865 178.256 176.600 -0.349 0.000 1.048 204 K CA 1.917 57.721 56.287 -0.805 0.000 0.932 204 K CB -0.033 31.607 32.500 -1.434 0.000 0.715 204 K HN 0.226 nan 8.250 nan 0.000 0.437 205 T N 1.853 116.280 114.554 -0.212 0.000 2.684 205 T HA -0.132 4.839 4.350 1.035 0.000 0.267 205 T C 1.904 176.660 174.700 0.093 0.000 1.036 205 T CA 1.667 63.782 62.100 0.024 0.000 1.148 205 T CB -0.217 68.771 68.868 0.200 0.000 0.863 205 T HN 0.204 nan 8.240 nan 0.000 0.436 206 I N 1.254 121.868 120.570 0.072 0.000 2.163 206 I HA -0.154 4.637 4.170 1.035 0.000 0.243 206 I C 2.906 178.997 176.117 -0.043 0.000 1.085 206 I CA 1.411 62.732 61.300 0.035 0.000 1.347 206 I CB -0.800 37.236 38.000 0.061 0.000 1.044 206 I HN 0.325 nan 8.210 nan 0.000 0.408 207 G N 0.285 109.038 108.800 -0.079 0.000 2.446 207 G HA2 -0.243 4.338 3.960 1.035 0.000 0.217 207 G HA3 -0.243 4.338 3.960 1.035 0.000 0.217 207 G C 1.505 176.330 174.900 -0.125 0.000 1.168 207 G CA 0.739 45.776 45.100 -0.106 0.000 0.771 207 G HN 0.423 nan 8.290 nan 0.000 0.551 208 E N -0.269 119.858 120.200 -0.122 0.000 2.085 208 E HA -0.146 4.825 4.350 1.035 0.000 0.194 208 E C 2.266 178.714 176.600 -0.254 0.000 0.994 208 E CA 0.992 57.290 56.400 -0.170 0.000 0.801 208 E CB -0.238 29.358 29.700 -0.173 0.000 0.743 208 E HN 0.539 nan 8.360 nan 0.000 0.453 209 H N 0.025 118.926 119.070 -0.281 0.000 2.423 209 H HA -0.030 5.148 4.556 1.036 0.000 0.297 209 H C 2.271 177.249 175.328 -0.584 0.000 1.075 209 H CA 0.924 56.702 56.048 -0.451 0.000 1.342 209 H CB 0.095 29.554 29.762 -0.505 0.000 1.395 209 H HN 0.185 nan 8.280 nan 0.000 0.530 210 I N 0.278 120.664 120.570 -0.307 0.000 2.226 210 I HA -0.226 4.565 4.170 1.035 0.000 0.245 210 I C 2.424 178.360 176.117 -0.300 0.000 1.100 210 I CA 0.730 61.837 61.300 -0.322 0.000 1.374 210 I CB -0.104 37.768 38.000 -0.213 0.000 1.057 210 I HN 0.008 nan 8.210 nan 0.000 0.413 211 V N 0.856 120.632 119.914 -0.230 0.000 2.427 211 V HA -0.225 4.516 4.120 1.035 0.000 0.248 211 V C 2.624 178.624 176.094 -0.155 0.000 1.051 211 V CA 1.891 64.082 62.300 -0.183 0.000 1.048 211 V CB -0.921 30.825 31.823 -0.128 0.000 0.666 211 V HN 0.474 nan 8.190 nan 0.000 0.456 212 A N 0.224 122.946 122.820 -0.162 0.000 1.929 212 A HA -0.134 4.807 4.320 1.035 0.000 0.216 212 A C 1.921 179.563 177.584 0.097 0.000 1.176 212 A CA 2.236 54.247 52.037 -0.044 0.000 0.628 212 A CB -0.339 18.615 19.000 -0.077 0.000 0.816 212 A HN 0.931 nan 8.150 nan 0.000 0.444 213 H N -4.889 114.147 119.070 -0.056 0.000 3.049 213 H HA 0.315 5.492 4.556 1.035 0.000 0.212 213 H C 1.416 176.730 175.328 -0.023 0.000 0.894 213 H CA 0.198 56.275 56.048 0.048 0.000 0.968 213 H CB -0.342 29.477 29.762 0.095 0.000 1.271 213 H HN 0.174 nan 8.280 nan 0.000 0.531 214 I N 2.400 122.614 120.570 -0.595 0.000 2.394 214 I HA -0.234 4.557 4.170 1.035 0.000 0.251 214 I C 2.530 178.534 176.117 -0.189 0.000 1.136 214 I CA 1.858 62.948 61.300 -0.350 0.000 1.425 214 I CB -0.362 37.315 38.000 -0.538 0.000 1.079 214 I HN 0.484 nan 8.210 nan 0.000 0.425 215 Q N 0.535 120.151 119.800 -0.306 0.000 2.234 215 Q HA -0.228 4.733 4.340 1.035 0.000 0.206 215 Q C 1.530 177.365 176.000 -0.275 0.000 0.980 215 Q CA 1.584 57.194 55.803 -0.321 0.000 0.869 215 Q CB -0.390 28.092 28.738 -0.427 0.000 0.912 215 Q HN 0.577 nan 8.270 nan 0.000 0.436 216 H N -0.144 118.923 119.070 -0.004 0.000 2.553 216 H HA 0.206 5.384 4.556 1.036 0.000 0.265 216 H C 0.678 176.036 175.328 0.050 0.000 0.964 216 H CA 0.751 56.811 56.048 0.021 0.000 1.156 216 H CB 0.610 30.393 29.762 0.035 0.000 1.411 216 H HN 0.556 nan 8.280 nan 0.000 0.558 217 E N 0.478 120.774 120.200 0.160 0.000 2.372 217 E HA 0.097 5.068 4.350 1.035 0.000 0.201 217 E C 0.429 177.110 176.600 0.136 0.000 0.938 217 E CA 0.096 56.605 56.400 0.181 0.000 0.944 217 E CB 1.350 31.227 29.700 0.296 0.000 0.937 217 E HN 0.129 nan 8.360 nan 0.000 0.495 218 V N -2.065 117.906 119.914 0.096 0.000 3.078 218 V HA 0.342 5.083 4.120 1.035 0.000 0.311 218 V C -0.301 175.776 176.094 -0.028 0.000 1.138 218 V CA -0.835 61.509 62.300 0.073 0.000 1.007 218 V CB 2.229 34.139 31.823 0.145 0.000 1.045 218 V HN -0.123 nan 8.190 nan 0.000 0.432 219 D N 0.780 121.136 120.400 -0.073 0.000 2.301 219 D HA 0.228 5.489 4.640 1.035 0.000 0.206 219 D C -0.413 175.493 176.300 -0.656 0.000 0.979 219 D CA 1.518 55.323 54.000 -0.324 0.000 0.874 219 D CB 0.540 41.173 40.800 -0.278 0.000 0.968 219 D HN 0.516 nan 8.370 nan 0.000 0.510 220 F N 0.121 120.052 119.950 -0.031 0.000 2.601 220 F HA 0.418 5.571 4.527 1.045 0.000 0.309 220 F C -0.755 175.040 175.800 -0.007 0.000 1.089 220 F CA -1.171 56.791 58.000 -0.063 0.000 0.940 220 F CB 2.092 41.020 39.000 -0.119 0.000 1.273 220 F HN -0.334 nan 8.300 nan 0.000 0.450 221 L N 2.240 123.535 121.223 0.120 0.000 2.408 221 L HA 0.713 5.674 4.340 1.035 0.000 0.268 221 L C -1.915 174.926 176.870 -0.049 0.000 0.986 221 L CA -0.515 54.390 54.840 0.108 0.000 0.820 221 L CB 1.477 43.563 42.059 0.046 0.000 1.303 221 L HN 0.465 nan 8.230 nan 0.000 0.411 222 F N 2.871 122.924 119.950 0.172 0.000 2.492 222 F HA 0.610 5.779 4.527 1.070 0.000 0.327 222 F C -0.210 175.534 175.800 -0.093 0.000 1.079 222 F CA -0.227 57.807 58.000 0.057 0.000 0.967 222 F CB 1.786 40.885 39.000 0.166 0.000 1.169 222 F HN 0.392 nan 8.300 nan 0.000 0.472 223 C N 4.542 123.750 119.300 -0.154 0.000 2.322 223 C HA 0.728 5.808 4.460 1.035 0.000 0.324 223 C C -0.251 174.572 174.990 -0.278 0.000 1.249 223 C CA -1.053 57.761 59.018 -0.339 0.000 1.453 223 C CB -0.119 27.130 27.740 -0.819 0.000 2.145 223 C HN 0.678 nan 8.230 nan 0.000 0.466 224 M N 1.839 121.370 119.600 -0.115 0.000 2.518 224 M HA 0.343 5.444 4.480 1.035 0.000 0.300 224 M C -0.974 175.220 176.300 -0.176 0.000 1.175 224 M CA -0.430 54.801 55.300 -0.116 0.000 0.890 224 M CB 1.891 34.471 32.600 -0.032 0.000 1.710 224 M HN 0.551 nan 8.290 nan 0.000 0.453 225 D N 1.019 121.304 120.400 -0.192 0.000 2.400 225 D HA 0.019 5.280 4.640 1.035 0.000 0.238 225 D C 0.592 176.663 176.300 -0.381 0.000 1.157 225 D CA 0.094 53.961 54.000 -0.221 0.000 0.889 225 D CB 1.412 42.083 40.800 -0.215 0.000 1.199 225 D HN 0.319 nan 8.370 nan 0.000 0.436 226 V N 1.312 121.021 119.914 -0.342 0.000 3.052 226 V HA -0.083 4.658 4.120 1.035 0.000 0.254 226 V C 0.520 176.484 176.094 -0.217 0.000 1.100 226 V CA 0.807 62.837 62.300 -0.450 0.000 1.112 226 V CB -0.188 31.525 31.823 -0.183 0.000 0.738 226 V HN 0.566 nan 8.190 nan 0.000 0.469 227 D N 1.774 121.998 120.400 -0.293 0.000 3.032 227 D HA 0.091 5.352 4.640 1.035 0.000 0.241 227 D C 0.180 176.294 176.300 -0.310 0.000 1.196 227 D CA -0.116 53.505 54.000 -0.632 0.000 0.927 227 D CB -0.190 40.164 40.800 -0.743 0.000 1.129 227 D HN 0.780 nan 8.370 nan 0.000 0.458 228 Q N -1.919 117.832 119.800 -0.081 0.000 2.687 228 Q HA 0.616 5.577 4.340 1.035 0.000 0.295 228 Q C -1.862 174.216 176.000 0.130 0.000 0.920 228 Q CA -1.191 54.631 55.803 0.032 0.000 0.766 228 Q CB 1.580 30.299 28.738 -0.031 0.000 1.467 228 Q HN -0.055 nan 8.270 nan 0.000 0.415 229 V N 1.235 121.195 119.914 0.076 0.000 2.686 229 V HA 0.458 5.199 4.120 1.035 0.000 0.306 229 V C -1.054 175.063 176.094 0.038 0.000 1.065 229 V CA -0.695 61.658 62.300 0.088 0.000 0.894 229 V CB 1.560 33.475 31.823 0.153 0.000 1.004 229 V HN 0.696 nan 8.190 nan 0.000 0.424 230 F N 3.174 123.118 119.950 -0.009 0.000 2.484 230 F HA 0.284 5.439 4.527 1.046 0.000 0.360 230 F C 1.469 177.301 175.800 0.054 0.000 1.101 230 F CA 0.334 58.352 58.000 0.030 0.000 1.251 230 F CB 0.857 39.883 39.000 0.043 0.000 1.132 230 F HN 0.487 nan 8.300 nan 0.000 0.570 231 Q N 0.699 120.544 119.800 0.074 0.000 2.280 231 Q HA 0.190 5.151 4.340 1.035 0.000 0.244 231 Q C -0.213 175.537 176.000 -0.415 0.000 0.847 231 Q CA 0.408 56.177 55.803 -0.057 0.000 0.945 231 Q CB 1.065 29.846 28.738 0.070 0.000 1.115 231 Q HN 0.663 nan 8.270 nan 0.000 0.513 232 D N -0.544 119.506 120.400 -0.582 0.000 2.779 232 D HA 0.148 5.408 4.640 1.035 0.000 0.331 232 D C -0.950 175.221 176.300 -0.216 0.000 1.331 232 D CA -0.492 53.200 54.000 -0.513 0.000 0.866 232 D CB 1.339 42.042 40.800 -0.161 0.000 1.409 232 D HN -0.338 nan 8.370 nan 0.000 0.486 233 K N 0.913 121.329 120.400 0.027 0.000 2.447 233 K HA 0.124 5.064 4.320 1.035 0.000 0.281 233 K C -0.323 176.394 176.600 0.195 0.000 1.031 233 K CA 0.263 56.651 56.287 0.168 0.000 1.019 233 K CB -0.295 32.297 32.500 0.153 0.000 0.918 233 K HN 0.321 nan 8.250 nan 0.000 0.476 234 F N 2.445 122.471 119.950 0.127 0.000 2.443 234 F HA 0.365 5.550 4.527 1.097 0.000 0.369 234 F C 0.495 176.284 175.800 -0.019 0.000 1.090 234 F CA -0.421 57.688 58.000 0.182 0.000 1.129 234 F CB 0.727 39.985 39.000 0.430 0.000 1.367 234 F HN 0.570 nan 8.300 nan 0.000 0.465 235 G N 1.717 110.531 108.800 0.024 0.000 3.107 235 G HA2 0.339 4.920 3.960 1.035 0.000 0.232 235 G HA3 0.339 4.920 3.960 1.035 0.000 0.232 235 G C 0.670 175.440 174.900 -0.217 0.000 1.339 235 G CA -0.122 44.926 45.100 -0.086 0.000 1.033 235 G HN 0.495 nan 8.290 nan 0.000 0.567 236 V N -0.619 119.155 119.914 -0.234 0.000 3.078 236 V HA -0.034 4.707 4.120 1.035 0.000 0.265 236 V C 2.225 178.090 176.094 -0.381 0.000 1.122 236 V CA 2.167 64.248 62.300 -0.364 0.000 1.141 236 V CB -0.597 31.027 31.823 -0.330 0.000 0.735 236 V HN 0.727 nan 8.190 nan 0.000 0.498 237 E N 2.839 122.817 120.200 -0.370 0.000 2.333 237 E HA -0.232 4.738 4.350 1.035 0.000 0.198 237 E C 1.801 178.087 176.600 -0.524 0.000 1.007 237 E CA 1.859 57.957 56.400 -0.504 0.000 0.845 237 E CB -0.915 28.505 29.700 -0.467 0.000 0.766 237 E HN 0.817 nan 8.360 nan 0.000 0.507 238 T N -1.268 113.015 114.554 -0.451 0.000 3.081 238 T HA 0.243 5.213 4.350 1.035 0.000 0.250 238 T C 1.148 175.755 174.700 -0.156 0.000 1.100 238 T CA -0.344 61.545 62.100 -0.351 0.000 1.038 238 T CB -0.219 68.415 68.868 -0.389 0.000 0.962 238 T HN 0.010 nan 8.240 nan 0.000 0.516 239 L N 1.478 122.480 121.223 -0.368 0.000 2.417 239 L HA 0.653 5.614 4.340 1.035 0.000 0.268 239 L C 0.976 177.555 176.870 -0.485 0.000 1.158 239 L CA -0.051 54.431 54.840 -0.595 0.000 0.819 239 L CB 0.695 42.021 42.059 -1.223 0.000 1.112 239 L HN 0.479 nan 8.230 nan 0.000 0.458 240 G N 0.830 109.407 108.800 -0.371 0.000 2.430 240 G HA2 0.134 4.715 3.960 1.035 0.000 0.300 240 G HA3 0.134 4.715 3.960 1.035 0.000 0.300 240 G C -0.136 174.870 174.900 0.178 0.000 1.330 240 G CA -0.445 44.626 45.100 -0.048 0.000 0.813 240 G HN 0.452 nan 8.290 nan 0.000 0.487 241 E N -0.558 119.752 120.200 0.184 0.000 2.072 241 E HA 0.014 4.985 4.350 1.035 0.000 0.191 241 E C 0.664 177.345 176.600 0.135 0.000 0.985 241 E CA 1.408 57.915 56.400 0.177 0.000 0.801 241 E CB 0.201 29.985 29.700 0.141 0.000 0.750 241 E HN 0.245 nan 8.360 nan 0.000 0.452 242 S N 0.042 115.811 115.700 0.116 0.000 2.677 242 S HA 0.393 5.484 4.470 1.035 0.000 0.283 242 S C -1.117 173.514 174.600 0.051 0.000 1.159 242 S CA -0.635 57.647 58.200 0.138 0.000 1.001 242 S CB 1.328 64.664 63.200 0.227 0.000 1.032 242 S HN -0.110 nan 8.310 nan 0.000 0.487 243 V N 3.708 123.647 119.914 0.042 0.000 2.531 243 V HA 0.892 5.633 4.120 1.035 0.000 0.301 243 V C 0.227 176.316 176.094 -0.009 0.000 1.034 243 V CA -0.595 61.695 62.300 -0.016 0.000 0.865 243 V CB 1.234 33.063 31.823 0.011 0.000 0.995 243 V HN 1.010 nan 8.190 nan 0.000 0.424 244 A N 3.673 126.357 122.820 -0.225 0.000 2.354 244 A HA 0.917 5.858 4.320 1.035 0.000 0.321 244 A C -0.803 176.785 177.584 0.006 0.000 1.125 244 A CA -0.718 51.151 52.037 -0.281 0.000 0.799 244 A CB 1.923 20.235 19.000 -1.146 0.000 1.293 244 A HN 0.748 nan 8.150 nan 0.000 0.452 245 Q N 0.820 120.731 119.800 0.185 0.000 2.331 245 Q HA 0.596 5.557 4.340 1.035 0.000 0.267 245 Q C -1.586 174.600 176.000 0.310 0.000 1.006 245 Q CA -0.199 55.743 55.803 0.232 0.000 0.818 245 Q CB 1.072 29.983 28.738 0.289 0.000 1.276 245 Q HN 0.627 nan 8.270 nan 0.000 0.450 246 L N 3.600 124.943 121.223 0.200 0.000 2.361 246 L HA 0.233 5.194 4.340 1.035 0.000 0.278 246 L C 0.589 177.650 176.870 0.318 0.000 1.113 246 L CA -0.337 54.633 54.840 0.218 0.000 0.849 246 L CB 0.811 42.935 42.059 0.109 0.000 1.155 246 L HN 0.577 nan 8.230 nan 0.000 0.452 247 Q N 2.031 122.053 119.800 0.371 0.000 2.289 247 Q HA 0.045 5.005 4.340 1.035 0.000 0.273 247 Q C 0.798 177.069 176.000 0.452 0.000 1.029 247 Q CA 0.241 56.290 55.803 0.411 0.000 0.896 247 Q CB 1.661 30.661 28.738 0.437 0.000 1.182 247 Q HN 0.834 nan 8.270 nan 0.000 0.385 248 A N 4.163 127.208 122.820 0.375 0.000 1.978 248 A HA -0.176 4.764 4.320 1.035 0.000 0.220 248 A C 1.206 178.830 177.584 0.067 0.000 1.170 248 A CA 1.087 53.218 52.037 0.156 0.000 0.636 248 A CB -0.462 18.295 19.000 -0.404 0.000 0.810 248 A HN 0.894 nan 8.150 nan 0.000 0.448 249 W N -2.734 118.535 121.300 -0.052 0.000 2.905 249 W HA 0.168 5.451 4.660 1.038 0.000 0.251 249 W C 1.007 177.209 176.519 -0.528 0.000 1.305 249 W CA -0.068 57.050 57.345 -0.379 0.000 1.465 249 W CB -0.164 28.944 29.460 -0.587 0.000 1.122 249 W HN 0.512 nan 8.180 nan 0.000 0.659 250 W N -1.806 119.669 121.300 0.293 0.000 2.534 250 W HA 0.138 5.412 4.660 1.023 0.000 0.339 250 W C 1.689 178.370 176.519 0.270 0.000 0.961 250 W CA -0.638 56.834 57.345 0.212 0.000 1.545 250 W CB -0.871 28.615 29.460 0.044 0.000 1.104 250 W HN -0.011 nan 8.180 nan 0.000 0.538 251 Y N 0.187 120.717 120.300 0.384 0.000 2.352 251 Y HA 0.080 5.276 4.550 1.077 0.000 0.292 251 Y C 1.536 177.680 175.900 0.406 0.000 1.136 251 Y CA 1.265 59.605 58.100 0.400 0.000 1.227 251 Y CB -0.558 38.115 38.460 0.354 0.000 0.991 251 Y HN -0.174 nan 8.280 nan 0.000 0.545 252 K N 0.912 121.156 120.400 -0.260 0.000 2.374 252 K HA 0.395 5.336 4.320 1.035 0.000 0.196 252 K C 0.652 177.290 176.600 0.064 0.000 1.023 252 K CA 0.226 56.421 56.287 -0.154 0.000 1.103 252 K CB 0.367 32.648 32.500 -0.367 0.000 0.848 252 K HN 0.321 nan 8.250 nan 0.000 0.528 253 A N 1.654 124.615 122.820 0.235 0.000 2.304 253 A HA 0.050 4.991 4.320 1.035 0.000 0.271 253 A C -0.251 177.422 177.584 0.149 0.000 1.091 253 A CA -0.473 51.725 52.037 0.269 0.000 0.812 253 A CB 0.305 19.638 19.000 0.556 0.000 1.056 253 A HN 0.175 nan 8.150 nan 0.000 0.489 254 D N 1.067 121.459 120.400 -0.014 0.000 2.425 254 D HA 0.126 5.387 4.640 1.035 0.000 0.247 254 D C -1.590 174.334 176.300 -0.627 0.000 1.147 254 D CA -1.278 52.604 54.000 -0.197 0.000 0.879 254 D CB 1.076 41.809 40.800 -0.112 0.000 1.179 254 D HN 0.102 nan 8.370 nan 0.000 0.456 255 P HA -0.101 nan 4.420 nan 0.000 0.218 255 P C 0.686 177.466 177.300 -0.867 0.000 1.146 255 P CA 0.823 62.936 63.100 -1.645 0.000 0.813 255 P CB 0.229 31.543 31.700 -0.644 0.000 0.778 256 N N -0.801 117.690 118.700 -0.348 0.000 2.521 256 N HA -0.056 5.305 4.740 1.035 0.000 0.188 256 N C 0.488 176.021 175.510 0.038 0.000 1.146 256 N CA 0.811 53.862 53.050 0.003 0.000 0.893 256 N CB -0.154 38.380 38.487 0.078 0.000 0.975 256 N HN 0.226 nan 8.380 nan 0.000 0.451 257 D N -0.358 119.972 120.400 -0.116 0.000 2.379 257 D HA 0.098 5.359 4.640 1.035 0.000 0.208 257 D C 0.390 176.636 176.300 -0.091 0.000 1.065 257 D CA -0.104 53.908 54.000 0.020 0.000 0.848 257 D CB 0.243 41.137 40.800 0.157 0.000 0.949 257 D HN 0.164 nan 8.370 nan 0.000 0.509 258 F N 1.551 121.250 119.950 -0.418 0.000 2.506 258 F HA 0.001 5.155 4.527 1.044 0.000 0.351 258 F C 1.831 177.116 175.800 -0.858 0.000 1.136 258 F CA -0.164 57.270 58.000 -0.943 0.000 1.298 258 F CB 0.691 39.025 39.000 -1.110 0.000 1.145 258 F HN -0.198 nan 8.300 nan 0.000 0.593 259 T N 0.209 114.180 114.554 -0.971 0.000 3.467 259 T HA 0.191 5.162 4.350 1.035 0.000 0.232 259 T C -0.143 174.536 174.700 -0.035 0.000 0.876 259 T CA -0.371 61.465 62.100 -0.440 0.000 0.939 259 T CB -1.315 67.311 68.868 -0.403 0.000 1.165 259 T HN 0.348 nan 8.240 nan 0.000 0.615 260 Y N 0.946 121.273 120.300 0.045 0.000 2.511 260 Y HA 0.158 5.327 4.550 1.031 0.000 0.347 260 Y C 1.186 177.111 175.900 0.043 0.000 1.257 260 Y CA -1.168 56.998 58.100 0.111 0.000 1.469 260 Y CB 0.444 38.920 38.460 0.026 0.000 1.353 260 Y HN 0.271 nan 8.280 nan 0.000 0.617 261 E N 1.807 122.122 120.200 0.190 0.000 2.351 261 E HA -0.006 4.965 4.350 1.035 0.000 0.266 261 E C -0.101 176.556 176.600 0.096 0.000 1.031 261 E CA 0.020 56.470 56.400 0.083 0.000 0.911 261 E CB 0.484 30.182 29.700 -0.004 0.000 0.986 261 E HN 0.381 nan 8.360 nan 0.000 0.446 262 R N 3.958 124.520 120.500 0.102 0.000 2.432 262 R HA 0.200 5.161 4.340 1.035 0.000 0.260 262 R C -0.115 176.322 176.300 0.229 0.000 0.935 262 R CA -0.093 56.096 56.100 0.148 0.000 1.080 262 R CB 0.123 30.437 30.300 0.022 0.000 1.155 262 R HN 0.382 nan 8.270 nan 0.000 0.531 263 R N 1.756 122.320 120.500 0.107 0.000 2.221 263 R HA 0.106 5.066 4.340 1.035 0.000 0.327 263 R C 1.270 177.400 176.300 -0.283 0.000 1.033 263 R CA -0.117 55.944 56.100 -0.066 0.000 0.887 263 R CB 0.982 31.250 30.300 -0.054 0.000 1.057 263 R HN 0.096 nan 8.270 nan 0.000 0.455 264 K N 1.582 121.600 120.400 -0.636 0.000 2.360 264 K HA -0.147 4.794 4.320 1.035 0.000 0.201 264 K C 0.357 176.730 176.600 -0.377 0.000 1.046 264 K CA 1.343 57.067 56.287 -0.938 0.000 0.945 264 K CB 0.222 32.220 32.500 -0.838 0.000 0.750 264 K HN 0.411 nan 8.250 nan 0.000 0.464 265 E N 1.322 121.387 120.200 -0.224 0.000 2.418 265 E HA -0.001 4.970 4.350 1.035 0.000 0.197 265 E C 0.309 176.861 176.600 -0.079 0.000 1.026 265 E CA 0.313 56.638 56.400 -0.126 0.000 0.862 265 E CB 0.303 29.945 29.700 -0.096 0.000 0.799 265 E HN 0.264 nan 8.360 nan 0.000 0.518 266 S N -0.527 115.134 115.700 -0.065 0.000 2.562 266 S HA 0.451 5.542 4.470 1.035 0.000 0.275 266 S C 1.194 175.802 174.600 0.013 0.000 1.281 266 S CA -0.073 58.114 58.200 -0.022 0.000 1.045 266 S CB 1.270 64.448 63.200 -0.037 0.000 0.962 266 S HN 0.197 nan 8.310 nan 0.000 0.503 267 A N 4.011 126.855 122.820 0.040 0.000 2.070 267 A HA 0.114 5.055 4.320 1.035 0.000 0.220 267 A C 1.986 179.588 177.584 0.029 0.000 1.159 267 A CA 1.641 53.716 52.037 0.063 0.000 0.656 267 A CB -0.881 18.188 19.000 0.114 0.000 0.800 267 A HN 1.168 nan 8.150 nan 0.000 0.453 268 A N -1.884 120.877 122.820 -0.098 0.000 2.251 268 A HA 0.283 5.224 4.320 1.035 0.000 0.209 268 A C 0.683 178.208 177.584 -0.099 0.000 1.187 268 A CA -0.361 51.544 52.037 -0.220 0.000 0.823 268 A CB -0.537 18.110 19.000 -0.588 0.000 0.846 268 A HN 0.513 nan 8.150 nan 0.000 0.486 269 Y N 0.901 121.115 120.300 -0.144 0.000 2.810 269 Y HA 0.259 5.430 4.550 1.036 0.000 0.332 269 Y C -0.269 175.538 175.900 -0.154 0.000 1.243 269 Y CA -0.128 57.895 58.100 -0.128 0.000 1.537 269 Y CB -0.053 38.351 38.460 -0.095 0.000 1.265 269 Y HN 0.218 nan 8.280 nan 0.000 0.572 270 I N 9.685 129.832 120.570 -0.705 0.000 2.439 270 I HA 0.300 5.091 4.170 1.035 0.000 0.285 270 I C -2.296 173.243 176.117 -0.963 0.000 1.021 270 I CA -2.238 58.588 61.300 -0.790 0.000 1.091 270 I CB 1.925 39.511 38.000 -0.690 0.000 1.242 270 I HN 0.506 nan 8.210 nan 0.000 0.439 271 P HA 0.163 nan 4.420 nan 0.000 0.274 271 P C -0.528 176.588 177.300 -0.306 0.000 1.237 271 P CA -0.186 62.562 63.100 -0.587 0.000 0.793 271 P CB 0.507 32.060 31.700 -0.246 0.000 0.977 272 F N 0.327 120.273 119.950 -0.006 0.000 2.602 272 F HA 0.267 5.414 4.527 1.035 0.000 0.367 272 F C 2.053 177.850 175.800 -0.004 0.000 1.126 272 F CA 1.922 59.928 58.000 0.010 0.000 1.321 272 F CB -0.404 38.609 39.000 0.021 0.000 1.094 272 F HN 0.699 nan 8.300 nan 0.000 0.594 273 G N 1.177 110.085 108.800 0.180 0.000 2.195 273 G HA2 -0.220 4.361 3.960 1.035 0.000 0.246 273 G HA3 -0.220 4.361 3.960 1.035 0.000 0.246 273 G C -0.142 174.785 174.900 0.044 0.000 0.984 273 G CA -0.199 44.954 45.100 0.088 0.000 0.633 273 G HN 0.588 nan 8.290 nan 0.000 0.525 274 E N -0.427 119.789 120.200 0.028 0.000 2.299 274 E HA 0.617 5.587 4.350 1.035 0.000 0.265 274 E C 0.203 176.860 176.600 0.096 0.000 0.911 274 E CA -0.369 56.038 56.400 0.012 0.000 0.789 274 E CB 2.193 31.850 29.700 -0.072 0.000 1.246 274 E HN 1.494 nan 8.360 nan 0.000 0.427 275 G N 1.558 110.426 108.800 0.114 0.000 2.764 275 G HA2 -0.092 4.489 3.960 1.035 0.000 0.678 275 G HA3 -0.092 4.489 3.960 1.035 0.000 0.678 275 G C -0.556 174.478 174.900 0.223 0.000 1.341 275 G CA -0.667 44.602 45.100 0.282 0.000 0.836 275 G HN 0.525 nan 8.290 nan 0.000 0.632 276 D N -0.014 120.541 120.400 0.258 0.000 2.566 276 D HA 0.273 5.534 4.640 1.035 0.000 0.253 276 D C 0.591 176.734 176.300 -0.262 0.000 0.992 276 D CA 1.291 55.323 54.000 0.052 0.000 0.940 276 D CB 0.402 41.430 40.800 0.381 0.000 1.095 276 D HN 0.316 nan 8.370 nan 0.000 0.480 277 F N -1.157 118.977 119.950 0.307 0.000 2.662 277 F HA 0.311 5.474 4.527 1.059 0.000 0.312 277 F C -1.005 174.502 175.800 -0.489 0.000 1.113 277 F CA -1.313 56.679 58.000 -0.015 0.000 0.951 277 F CB 1.734 40.551 39.000 -0.306 0.000 1.344 277 F HN -0.290 nan 8.300 nan 0.000 0.462 278 Y N 2.106 121.914 120.300 -0.820 0.000 2.434 278 Y HA 0.478 5.647 4.550 1.032 0.000 0.341 278 Y C -1.207 174.506 175.900 -0.312 0.000 0.965 278 Y CA -0.845 56.755 58.100 -0.834 0.000 1.205 278 Y CB 0.266 37.917 38.460 -1.349 0.000 1.121 278 Y HN 0.417 nan 8.280 nan 0.000 0.507 279 Y N 4.223 124.339 120.300 -0.307 0.000 2.310 279 Y HA 0.204 5.365 4.550 1.019 0.000 0.326 279 Y C 0.261 176.098 175.900 -0.104 0.000 1.151 279 Y CA -0.570 57.497 58.100 -0.055 0.000 1.195 279 Y CB 0.667 39.207 38.460 0.133 0.000 1.210 279 Y HN 0.554 nan 8.280 nan 0.000 0.483 280 H N 1.773 120.951 119.070 0.181 0.000 2.562 280 H HA 0.368 5.533 4.556 1.015 0.000 0.314 280 H C 0.282 175.716 175.328 0.177 0.000 1.079 280 H CA -0.338 55.803 56.048 0.155 0.000 1.349 280 H CB 1.279 31.171 29.762 0.216 0.000 1.432 280 H HN 0.984 nan 8.280 nan 0.000 0.479 281 A N 4.105 127.080 122.820 0.258 0.000 2.239 281 A HA 0.024 4.965 4.320 1.035 0.000 0.209 281 A C 2.066 179.696 177.584 0.076 0.000 1.171 281 A CA 0.876 53.021 52.037 0.180 0.000 0.768 281 A CB -0.354 18.737 19.000 0.152 0.000 0.790 281 A HN 0.794 nan 8.150 nan 0.000 0.478 282 A N -0.453 122.166 122.820 -0.334 0.000 2.119 282 A HA 0.362 5.302 4.320 1.035 0.000 0.217 282 A C 0.728 178.205 177.584 -0.179 0.000 1.153 282 A CA 0.643 52.429 52.037 -0.418 0.000 0.692 282 A CB -0.188 18.264 19.000 -0.913 0.000 0.799 282 A HN 0.446 nan 8.150 nan 0.000 0.458 283 I N -0.116 120.455 120.570 0.002 0.000 2.548 283 I HA 0.469 5.260 4.170 1.035 0.000 0.287 283 I C -1.188 175.156 176.117 0.378 0.000 1.103 283 I CA -0.680 60.706 61.300 0.145 0.000 1.049 283 I CB 1.944 40.047 38.000 0.171 0.000 1.232 283 I HN 0.299 nan 8.210 nan 0.000 0.429 284 F N 3.570 123.687 119.950 0.278 0.000 2.662 284 F HA 1.010 6.153 4.527 1.027 0.000 0.312 284 F C -0.124 175.801 175.800 0.209 0.000 1.113 284 F CA -0.671 57.496 58.000 0.278 0.000 0.951 284 F CB 1.799 40.940 39.000 0.235 0.000 1.344 284 F HN 0.515 nan 8.300 nan 0.000 0.462 285 G N -0.752 108.110 108.800 0.104 0.000 2.561 285 G HA2 0.760 5.341 3.960 1.035 0.000 0.310 285 G HA3 0.760 5.341 3.960 1.035 0.000 0.310 285 G C -0.911 173.876 174.900 -0.188 0.000 1.292 285 G CA -0.317 44.569 45.100 -0.356 0.000 0.811 285 G HN 1.935 nan 8.290 nan 0.000 0.482 286 G N -1.782 106.873 108.800 -0.242 0.000 2.352 286 G HA2 0.587 5.168 3.960 1.035 0.000 0.283 286 G HA3 0.587 5.168 3.960 1.035 0.000 0.283 286 G C -0.028 174.919 174.900 0.078 0.000 1.308 286 G CA 0.864 45.962 45.100 -0.002 0.000 0.892 286 G HN 1.892 nan 8.290 nan 0.000 0.504 287 T N -0.615 113.981 114.554 0.070 0.000 2.856 287 T HA 0.457 5.428 4.350 1.035 0.000 0.306 287 T C -1.268 173.386 174.700 -0.077 0.000 1.062 287 T CA -0.181 61.860 62.100 -0.098 0.000 1.083 287 T CB 1.506 70.287 68.868 -0.145 0.000 0.984 287 T HN 0.209 nan 8.240 nan 0.000 0.542 288 P HA -0.069 nan 4.420 nan 0.000 0.216 288 P C 1.657 178.904 177.300 -0.088 0.000 1.150 288 P CA 1.078 64.117 63.100 -0.103 0.000 0.837 288 P CB -0.234 31.384 31.700 -0.135 0.000 0.786 289 T N -0.536 113.969 114.554 -0.081 0.000 2.708 289 T HA -0.165 4.806 4.350 1.035 0.000 0.266 289 T C 1.809 176.493 174.700 -0.025 0.000 1.037 289 T CA 1.221 63.288 62.100 -0.055 0.000 1.146 289 T CB -0.595 68.246 68.868 -0.044 0.000 0.865 289 T HN 0.148 nan 8.240 nan 0.000 0.435 290 Q N 0.523 120.322 119.800 -0.002 0.000 2.083 290 Q HA 0.021 4.982 4.340 1.035 0.000 0.198 290 Q C 2.683 178.691 176.000 0.013 0.000 0.969 290 Q CA 0.843 56.669 55.803 0.038 0.000 0.838 290 Q CB -0.873 27.915 28.738 0.083 0.000 0.900 290 Q HN 0.408 nan 8.270 nan 0.000 0.436 291 V N 1.423 121.341 119.914 0.006 0.000 2.490 291 V HA -0.228 4.513 4.120 1.035 0.000 0.250 291 V C 2.336 178.406 176.094 -0.039 0.000 1.061 291 V CA 1.294 63.603 62.300 0.016 0.000 1.064 291 V CB -0.685 31.155 31.823 0.028 0.000 0.670 291 V HN 0.213 nan 8.190 nan 0.000 0.461 292 L N 0.906 122.093 121.223 -0.059 0.000 2.046 292 L HA -0.166 4.795 4.340 1.035 0.000 0.208 292 L C 2.077 178.894 176.870 -0.089 0.000 1.077 292 L CA 2.278 57.072 54.840 -0.077 0.000 0.747 292 L CB -0.945 41.067 42.059 -0.079 0.000 0.896 292 L HN 0.370 nan 8.230 nan 0.000 0.432 293 N N -0.559 118.096 118.700 -0.076 0.000 2.142 293 N HA -0.145 5.216 4.740 1.035 0.000 0.186 293 N C 1.819 177.172 175.510 -0.262 0.000 1.023 293 N CA 1.629 54.638 53.050 -0.068 0.000 0.852 293 N CB -0.204 38.311 38.487 0.046 0.000 0.998 293 N HN 0.444 nan 8.380 nan 0.000 0.424 294 I N -0.082 120.199 120.570 -0.482 0.000 2.118 294 I HA -0.340 4.451 4.170 1.035 0.000 0.241 294 I C 2.292 178.013 176.117 -0.661 0.000 1.070 294 I CA 1.792 62.460 61.300 -1.053 0.000 1.327 294 I CB -0.789 36.735 38.000 -0.794 0.000 1.034 294 I HN 0.395 nan 8.210 nan 0.000 0.405 295 T N -1.824 112.532 114.554 -0.329 0.000 2.812 295 T HA -0.172 4.799 4.350 1.035 0.000 0.264 295 T C 1.815 176.433 174.700 -0.136 0.000 1.042 295 T CA 0.934 62.915 62.100 -0.199 0.000 1.140 295 T CB -0.453 68.370 68.868 -0.077 0.000 0.870 295 T HN 0.371 nan 8.240 nan 0.000 0.445 296 Q N 0.420 120.152 119.800 -0.114 0.000 2.084 296 Q HA -0.108 4.853 4.340 1.035 0.000 0.202 296 Q C 2.599 178.581 176.000 -0.030 0.000 0.978 296 Q CA 1.410 57.187 55.803 -0.043 0.000 0.844 296 Q CB -0.065 28.649 28.738 -0.040 0.000 0.898 296 Q HN 0.542 nan 8.270 nan 0.000 0.426 297 E N -0.061 120.093 120.200 -0.078 0.000 2.072 297 E HA -0.132 4.839 4.350 1.035 0.000 0.190 297 E C 2.126 178.693 176.600 -0.055 0.000 0.982 297 E CA 0.659 57.046 56.400 -0.022 0.000 0.803 297 E CB -0.317 29.449 29.700 0.111 0.000 0.755 297 E HN 0.367 nan 8.360 nan 0.000 0.453 298 C N 0.558 119.772 119.300 -0.143 0.000 2.413 298 C HA -0.129 4.952 4.460 1.035 0.000 0.276 298 C C 2.491 177.383 174.990 -0.162 0.000 1.248 298 C CA 0.399 59.328 59.018 -0.147 0.000 1.742 298 C CB -1.202 26.410 27.740 -0.214 0.000 2.017 298 C HN 0.320 nan 8.230 nan 0.000 0.481 299 F N 1.722 121.536 119.950 -0.226 0.000 2.259 299 F HA -0.046 5.102 4.527 1.033 0.000 0.298 299 F C 2.210 177.896 175.800 -0.190 0.000 1.088 299 F CA 1.444 59.317 58.000 -0.212 0.000 1.358 299 F CB -0.393 38.514 39.000 -0.155 0.000 1.040 299 F HN 0.145 nan 8.300 nan 0.000 0.505 300 K N -0.399 119.927 120.400 -0.125 0.000 2.097 300 K HA -0.112 4.829 4.320 1.035 0.000 0.206 300 K C 2.359 178.823 176.600 -0.226 0.000 1.049 300 K CA 1.265 57.450 56.287 -0.170 0.000 0.933 300 K CB -0.849 31.610 32.500 -0.069 0.000 0.717 300 K HN 0.395 nan 8.250 nan 0.000 0.442 301 G N 0.937 109.602 108.800 -0.224 0.000 2.403 301 G HA2 -0.190 4.391 3.960 1.035 0.000 0.216 301 G HA3 -0.190 4.391 3.960 1.035 0.000 0.216 301 G C 1.477 176.136 174.900 -0.400 0.000 1.154 301 G CA 0.466 45.453 45.100 -0.190 0.000 0.784 301 G HN 0.127 nan 8.290 nan 0.000 0.538 302 I N 0.417 120.535 120.570 -0.753 0.000 2.179 302 I HA -0.152 4.639 4.170 1.035 0.000 0.242 302 I C 2.680 178.509 176.117 -0.480 0.000 1.088 302 I CA 0.805 61.709 61.300 -0.660 0.000 1.357 302 I CB -0.159 37.457 38.000 -0.640 0.000 1.051 302 I HN 0.122 nan 8.210 nan 0.000 0.409 303 L N 0.498 121.364 121.223 -0.595 0.000 2.083 303 L HA -0.226 4.735 4.340 1.035 0.000 0.209 303 L C 2.620 179.344 176.870 -0.245 0.000 1.083 303 L CA 1.395 55.971 54.840 -0.440 0.000 0.752 303 L CB -0.612 41.168 42.059 -0.464 0.000 0.899 303 L HN 0.259 nan 8.230 nan 0.000 0.433 304 K N 0.285 120.567 120.400 -0.197 0.000 2.057 304 K HA -0.204 4.737 4.320 1.035 0.000 0.206 304 K C 1.617 178.167 176.600 -0.083 0.000 1.050 304 K CA 1.791 58.011 56.287 -0.113 0.000 0.935 304 K CB -0.003 32.449 32.500 -0.079 0.000 0.715 304 K HN 0.149 nan 8.250 nan 0.000 0.439 305 D N 0.918 121.276 120.400 -0.069 0.000 2.123 305 D HA -0.140 5.120 4.640 1.035 0.000 0.196 305 D C 1.706 177.968 176.300 -0.064 0.000 0.992 305 D CA 1.302 55.280 54.000 -0.036 0.000 0.833 305 D CB 0.025 40.841 40.800 0.026 0.000 0.954 305 D HN 0.288 nan 8.370 nan 0.000 0.455 306 K N 0.329 120.670 120.400 -0.098 0.000 2.057 306 K HA -0.084 4.857 4.320 1.035 0.000 0.207 306 K C 1.879 178.432 176.600 -0.078 0.000 1.049 306 K CA 0.791 57.022 56.287 -0.094 0.000 0.931 306 K CB 0.097 32.526 32.500 -0.119 0.000 0.714 306 K HN 0.008 nan 8.250 nan 0.000 0.440 307 K N 0.721 121.072 120.400 -0.081 0.000 2.283 307 K HA -0.041 4.900 4.320 1.035 0.000 0.202 307 K C 1.020 177.588 176.600 -0.053 0.000 1.048 307 K CA 0.811 57.059 56.287 -0.064 0.000 0.948 307 K CB -0.083 32.379 32.500 -0.064 0.000 0.742 307 K HN 0.177 nan 8.250 nan 0.000 0.458 308 N N 1.394 120.062 118.700 -0.053 0.000 2.235 308 N HA -0.060 5.301 4.740 1.035 0.000 0.209 308 N C -0.551 174.932 175.510 -0.045 0.000 1.122 308 N CA 0.131 53.153 53.050 -0.046 0.000 0.845 308 N CB 0.302 38.762 38.487 -0.044 0.000 1.004 308 N HN 0.096 nan 8.380 nan 0.000 0.499 309 D N 0.772 121.143 120.400 -0.048 0.000 2.699 309 D HA -0.198 5.063 4.640 1.035 0.000 0.239 309 D C -0.705 175.567 176.300 -0.046 0.000 1.136 309 D CA 0.532 54.504 54.000 -0.046 0.000 0.668 309 D CB -1.272 39.504 40.800 -0.041 0.000 1.060 309 D HN 0.440 nan 8.370 nan 0.000 0.429 310 I N -0.217 120.326 120.570 -0.045 0.000 2.894 310 I HA 0.477 5.267 4.170 1.035 0.000 0.302 310 I C -1.156 174.940 176.117 -0.036 0.000 1.188 310 I CA -0.852 60.422 61.300 -0.043 0.000 1.014 310 I CB 1.924 39.898 38.000 -0.043 0.000 1.242 310 I HN 0.030 nan 8.210 nan 0.000 0.430 311 E N 5.223 125.399 120.200 -0.040 0.000 2.241 311 E HA 0.648 5.619 4.350 1.035 0.000 0.263 311 E C -1.013 175.551 176.600 -0.062 0.000 0.882 311 E CA -0.758 55.627 56.400 -0.025 0.000 0.769 311 E CB 1.835 31.518 29.700 -0.028 0.000 1.185 311 E HN 0.741 nan 8.360 nan 0.000 0.415 312 A N 3.538 126.329 122.820 -0.048 0.000 2.483 312 A HA -0.028 4.913 4.320 1.035 0.000 0.238 312 A C 1.051 178.458 177.584 -0.295 0.000 1.070 312 A CA 0.229 52.180 52.037 -0.142 0.000 0.770 312 A CB 0.721 19.604 19.000 -0.195 0.000 1.008 312 A HN 0.952 nan 8.150 nan 0.000 0.497 313 Q N 0.736 120.368 119.800 -0.280 0.000 2.096 313 Q HA -0.156 4.805 4.340 1.035 0.000 0.204 313 Q C 0.168 175.637 176.000 -0.884 0.000 0.982 313 Q CA 1.908 57.419 55.803 -0.486 0.000 0.850 313 Q CB -0.043 28.506 28.738 -0.315 0.000 0.901 313 Q HN 0.863 nan 8.270 nan 0.000 0.422 314 W N 0.039 121.165 121.300 -0.291 0.000 2.570 314 W HA 0.259 5.547 4.660 1.047 0.000 0.410 314 W C -0.181 176.264 176.519 -0.122 0.000 0.889 314 W CA -0.210 57.016 57.345 -0.198 0.000 2.386 314 W CB 0.137 29.644 29.460 0.078 0.000 1.228 314 W HN 0.363 nan 8.180 nan 0.000 0.692 315 H N -0.688 118.484 119.070 0.170 0.000 1.452 315 H HA -0.355 4.820 4.556 1.033 0.000 0.090 315 H C 1.673 177.139 175.328 0.230 0.000 0.789 315 H CA 1.694 57.831 56.048 0.148 0.000 1.901 315 H CB -1.034 28.787 29.762 0.098 0.000 2.257 315 H HN 0.189 nan 8.280 nan 0.000 0.961 316 D N 0.993 121.590 120.400 0.328 0.000 2.218 316 D HA -0.162 5.099 4.640 1.035 0.000 0.204 316 D C 1.722 178.125 176.300 0.172 0.000 0.976 316 D CA 1.682 55.810 54.000 0.213 0.000 0.853 316 D CB -0.520 40.339 40.800 0.100 0.000 0.939 316 D HN 0.683 nan 8.370 nan 0.000 0.481 317 E N 0.892 121.221 120.200 0.215 0.000 2.110 317 E HA -0.145 4.825 4.350 1.035 0.000 0.193 317 E C 1.858 178.535 176.600 0.129 0.000 0.988 317 E CA 1.130 57.631 56.400 0.168 0.000 0.804 317 E CB 0.153 30.000 29.700 0.244 0.000 0.745 317 E HN 0.125 nan 8.360 nan 0.000 0.458 318 S N -0.039 115.755 115.700 0.156 0.000 2.368 318 S HA -0.153 4.938 4.470 1.035 0.000 0.225 318 S C 1.714 176.261 174.600 -0.088 0.000 1.030 318 S CA 0.975 59.205 58.200 0.049 0.000 0.999 318 S CB -0.415 62.767 63.200 -0.031 0.000 0.844 318 S HN 0.445 nan 8.310 nan 0.000 0.459 319 H N 0.410 119.483 119.070 0.005 0.000 2.389 319 H HA 0.036 5.212 4.556 1.033 0.000 0.299 319 H C 2.231 177.503 175.328 -0.093 0.000 1.081 319 H CA 1.169 57.190 56.048 -0.046 0.000 1.345 319 H CB -0.502 29.224 29.762 -0.060 0.000 1.393 319 H HN 0.222 nan 8.280 nan 0.000 0.520 320 L N 1.500 122.706 121.223 -0.029 0.000 2.083 320 L HA -0.136 4.825 4.340 1.035 0.000 0.209 320 L C 1.915 178.741 176.870 -0.073 0.000 1.083 320 L CA 1.381 56.098 54.840 -0.205 0.000 0.752 320 L CB -0.611 41.291 42.059 -0.262 0.000 0.899 320 L HN 0.143 nan 8.230 nan 0.000 0.433 321 N N -0.303 118.417 118.700 0.034 0.000 2.166 321 N HA -0.223 5.138 4.740 1.035 0.000 0.186 321 N C 1.838 177.355 175.510 0.013 0.000 1.019 321 N CA 1.265 54.390 53.050 0.125 0.000 0.856 321 N CB -0.010 38.524 38.487 0.079 0.000 0.993 321 N HN 0.259 nan 8.380 nan 0.000 0.426 322 K N 0.813 121.167 120.400 -0.077 0.000 2.057 322 K HA -0.139 4.802 4.320 1.035 0.000 0.206 322 K C 2.013 178.577 176.600 -0.060 0.000 1.050 322 K CA 0.969 57.189 56.287 -0.112 0.000 0.935 322 K CB -0.736 31.700 32.500 -0.106 0.000 0.715 322 K HN 0.165 nan 8.250 nan 0.000 0.439 323 Y N -0.123 120.079 120.300 -0.163 0.000 2.081 323 Y HA -0.219 4.950 4.550 1.032 0.000 0.280 323 Y C 1.654 177.466 175.900 -0.147 0.000 1.163 323 Y CA 2.257 60.222 58.100 -0.225 0.000 1.135 323 Y CB -0.339 37.873 38.460 -0.414 0.000 0.970 323 Y HN 0.113 nan 8.280 nan 0.000 0.498 324 F N -1.407 118.551 119.950 0.013 0.000 2.502 324 F HA -0.138 5.013 4.527 1.040 0.000 0.298 324 F C 2.043 177.799 175.800 -0.074 0.000 1.111 324 F CA 0.054 58.009 58.000 -0.075 0.000 1.445 324 F CB -0.058 38.835 39.000 -0.178 0.000 1.081 324 F HN 0.190 nan 8.300 nan 0.000 0.558 325 L N 0.312 121.600 121.223 0.108 0.000 2.056 325 L HA -0.168 4.793 4.340 1.035 0.000 0.207 325 L C 1.858 178.641 176.870 -0.146 0.000 1.078 325 L CA 1.856 56.686 54.840 -0.016 0.000 0.749 325 L CB -0.549 41.459 42.059 -0.084 0.000 0.901 325 L HN 0.087 nan 8.230 nan 0.000 0.433 326 L N -0.789 120.312 121.223 -0.204 0.000 2.162 326 L HA 0.001 4.962 4.340 1.035 0.000 0.205 326 L C 0.348 177.033 176.870 -0.308 0.000 1.086 326 L CA 0.481 55.173 54.840 -0.247 0.000 0.778 326 L CB -0.283 41.621 42.059 -0.259 0.000 0.928 326 L HN 0.268 nan 8.230 nan 0.000 0.446 327 N N 1.229 119.681 118.700 -0.413 0.000 2.776 327 N HA 0.148 5.508 4.740 1.035 0.000 0.245 327 N C -0.893 174.493 175.510 -0.206 0.000 1.121 327 N CA -0.315 52.505 53.050 -0.383 0.000 0.852 327 N CB 1.082 39.170 38.487 -0.664 0.000 1.142 327 N HN 0.025 nan 8.380 nan 0.000 0.514 328 K N 2.050 122.258 120.400 -0.320 0.000 2.484 328 K HA 0.134 5.074 4.320 1.035 0.000 0.280 328 K C -2.021 174.479 176.600 -0.165 0.000 1.013 328 K CA -1.045 54.947 56.287 -0.492 0.000 1.029 328 K CB 0.279 31.975 32.500 -1.339 0.000 0.902 328 K HN 0.324 nan 8.250 nan 0.000 0.481 329 P HA 0.010 nan 4.420 nan 0.000 0.271 329 P C 0.609 178.031 177.300 0.205 0.000 1.218 329 P CA -0.076 62.987 63.100 -0.062 0.000 0.780 329 P CB 0.449 31.837 31.700 -0.519 0.000 0.901 330 T N -1.251 113.383 114.554 0.133 0.000 3.088 330 T HA 0.065 5.036 4.350 1.035 0.000 0.259 330 T C 0.538 175.289 174.700 0.085 0.000 1.122 330 T CA 0.557 62.755 62.100 0.162 0.000 1.095 330 T CB 0.037 68.983 68.868 0.129 0.000 0.930 330 T HN 0.480 nan 8.240 nan 0.000 0.508 331 K N 0.135 120.544 120.400 0.016 0.000 2.542 331 K HA 0.627 5.568 4.320 1.035 0.000 0.259 331 K C -2.023 174.513 176.600 -0.107 0.000 0.932 331 K CA -0.973 55.281 56.287 -0.055 0.000 0.820 331 K CB 1.903 34.372 32.500 -0.052 0.000 1.345 331 K HN 0.179 nan 8.250 nan 0.000 0.432 332 I N 4.628 125.110 120.570 -0.146 0.000 2.608 332 I HA 0.366 5.157 4.170 1.035 0.000 0.295 332 I C -0.642 175.347 176.117 -0.214 0.000 1.049 332 I CA -1.130 60.069 61.300 -0.168 0.000 1.063 332 I CB 1.862 39.747 38.000 -0.192 0.000 1.248 332 I HN 0.414 nan 8.210 nan 0.000 0.424 333 L N 4.002 125.095 121.223 -0.216 0.000 2.307 333 L HA 0.457 5.418 4.340 1.035 0.000 0.282 333 L C 0.356 177.043 176.870 -0.305 0.000 1.051 333 L CA -0.518 54.121 54.840 -0.335 0.000 0.804 333 L CB 1.445 43.248 42.059 -0.425 0.000 1.197 333 L HN 0.591 nan 8.230 nan 0.000 0.431 334 S N 2.667 118.078 115.700 -0.482 0.000 2.589 334 S HA 0.096 5.186 4.470 1.035 0.000 0.265 334 S C -1.661 172.668 174.600 -0.451 0.000 1.342 334 S CA -0.834 56.834 58.200 -0.888 0.000 1.005 334 S CB 0.497 62.522 63.200 -1.958 0.000 0.909 334 S HN 0.508 nan 8.310 nan 0.000 0.555 335 P HA -0.063 nan 4.420 nan 0.000 0.225 335 P C 0.713 177.988 177.300 -0.043 0.000 1.148 335 P CA 0.839 63.880 63.100 -0.099 0.000 0.779 335 P CB -0.016 31.646 31.700 -0.064 0.000 0.780 336 E N -1.449 118.586 120.200 -0.276 0.000 2.209 336 E HA -0.206 4.764 4.350 1.035 0.000 0.196 336 E C 1.110 177.565 176.600 -0.241 0.000 0.993 336 E CA 1.075 57.303 56.400 -0.286 0.000 0.819 336 E CB -0.589 28.911 29.700 -0.333 0.000 0.745 336 E HN 0.431 nan 8.360 nan 0.000 0.477 337 Y N -1.260 118.971 120.300 -0.114 0.000 2.546 337 Y HA 0.072 4.532 4.550 -0.151 0.000 0.287 337 Y C 0.639 176.623 175.900 0.140 0.000 1.158 337 Y CA 0.012 58.081 58.100 -0.052 0.000 1.307 337 Y CB 0.728 39.050 38.460 -0.230 0.000 1.036 337 Y HN 0.004 nan 8.280 nan 0.000 0.532 338 C N 1.285 120.761 119.300 0.293 0.000 3.280 338 C HA 0.167 5.248 4.460 1.035 0.000 0.334 338 C C -0.936 174.352 174.990 0.496 0.000 0.977 338 C CA -1.135 58.122 59.018 0.398 0.000 1.264 338 C CB -1.119 26.879 27.740 0.430 0.000 1.688 338 C HN 0.520 nan 8.230 nan 0.000 0.592 339 W N 4.191 125.520 121.300 0.049 0.000 2.496 339 W HA 0.461 5.710 4.660 0.982 0.000 0.327 339 W C -0.881 175.295 176.519 -0.572 0.000 1.086 339 W CA 0.006 57.180 57.345 -0.285 0.000 1.222 339 W CB 1.327 30.520 29.460 -0.444 0.000 1.304 339 W HN 0.587 nan 8.180 nan 0.000 0.547 340 D N 4.295 123.547 120.400 -1.914 0.000 2.412 340 D HA 0.097 5.358 4.640 1.035 0.000 0.224 340 D C 0.363 175.820 176.300 -1.405 0.000 1.093 340 D CA -0.252 52.702 54.000 -1.743 0.000 0.850 340 D CB 0.357 39.916 40.800 -2.070 0.000 1.046 340 D HN 0.361 nan 8.370 nan 0.000 0.507 341 Y N 1.607 121.581 120.300 -0.545 0.000 2.574 341 Y HA -0.147 5.039 4.550 1.061 0.000 0.294 341 Y C 1.958 177.759 175.900 -0.164 0.000 1.142 341 Y CA 0.454 58.444 58.100 -0.185 0.000 1.314 341 Y CB 0.019 38.496 38.460 0.028 0.000 0.991 341 Y HN 0.598 nan 8.280 nan 0.000 0.555 342 H N 0.210 119.173 119.070 -0.177 0.000 2.489 342 H HA -0.125 5.050 4.556 1.032 0.000 0.293 342 H C 1.774 176.985 175.328 -0.195 0.000 1.066 342 H CA 1.456 57.454 56.048 -0.083 0.000 1.305 342 H CB -0.265 29.525 29.762 0.046 0.000 1.386 342 H HN 0.351 nan 8.280 nan 0.000 0.551 343 I N -0.590 119.613 120.570 -0.612 0.000 2.546 343 I HA 0.010 4.801 4.170 1.035 0.000 0.255 343 I C 1.554 177.513 176.117 -0.264 0.000 1.163 343 I CA 0.703 61.567 61.300 -0.727 0.000 1.457 343 I CB -0.320 36.983 38.000 -1.162 0.000 1.092 343 I HN 0.554 nan 8.210 nan 0.000 0.434 344 G N 0.960 109.725 108.800 -0.057 0.000 2.428 344 G HA2 -0.124 4.457 3.960 1.035 0.000 0.202 344 G HA3 -0.124 4.457 3.960 1.035 0.000 0.202 344 G C -1.272 173.833 174.900 0.342 0.000 1.247 344 G CA -0.645 44.522 45.100 0.110 0.000 1.020 344 G HN 0.027 nan 8.290 nan 0.000 0.529 345 L N 2.528 123.881 121.223 0.218 0.000 2.454 345 L HA 0.634 5.595 4.340 1.035 0.000 0.258 345 L C -1.553 175.325 176.870 0.014 0.000 1.025 345 L CA -1.254 53.667 54.840 0.134 0.000 0.901 345 L CB 1.006 43.143 42.059 0.130 0.000 1.210 345 L HN 0.747 nan 8.230 nan 0.000 0.457 346 P HA 0.409 nan 4.420 nan 0.000 0.279 346 P C 0.453 177.710 177.300 -0.073 0.000 1.276 346 P CA -0.426 62.660 63.100 -0.023 0.000 0.801 346 P CB 1.119 32.838 31.700 0.031 0.000 1.127 347 A N 0.193 122.986 122.820 -0.046 0.000 1.972 347 A HA -0.175 4.766 4.320 1.035 0.000 0.219 347 A C 1.646 179.183 177.584 -0.079 0.000 1.169 347 A CA 1.840 53.842 52.037 -0.059 0.000 0.635 347 A CB -1.098 17.875 19.000 -0.046 0.000 0.810 347 A HN 0.528 nan 8.150 nan 0.000 0.446 348 D N -0.345 120.017 120.400 -0.064 0.000 2.312 348 D HA -0.011 5.250 4.640 1.035 0.000 0.211 348 D C 0.283 176.546 176.300 -0.061 0.000 0.964 348 D CA 0.557 54.514 54.000 -0.072 0.000 0.877 348 D CB -0.035 40.787 40.800 0.036 0.000 0.924 348 D HN 0.271 nan 8.370 nan 0.000 0.515 349 I N 1.586 122.036 120.570 -0.199 0.000 2.282 349 I HA 0.093 4.883 4.170 1.035 0.000 0.290 349 I C 1.291 177.264 176.117 -0.239 0.000 1.090 349 I CA -0.064 61.026 61.300 -0.350 0.000 1.231 349 I CB 0.919 38.377 38.000 -0.904 0.000 1.434 349 I HN -0.207 nan 8.210 nan 0.000 0.487 350 K N 3.965 124.292 120.400 -0.120 0.000 2.284 350 K HA 0.179 5.120 4.320 1.035 0.000 0.198 350 K C 0.000 176.551 176.600 -0.082 0.000 1.048 350 K CA 0.416 56.654 56.287 -0.082 0.000 0.987 350 K CB 0.711 33.190 32.500 -0.035 0.000 0.800 350 K HN 0.288 nan 8.250 nan 0.000 0.486 351 L N 0.953 122.113 121.223 -0.105 0.000 2.676 351 L HA 0.216 5.177 4.340 1.035 0.000 0.262 351 L C -1.307 175.470 176.870 -0.156 0.000 0.965 351 L CA -0.445 54.339 54.840 -0.094 0.000 0.920 351 L CB 1.823 43.851 42.059 -0.052 0.000 1.260 351 L HN -0.295 nan 8.230 nan 0.000 0.422 352 V N 5.753 125.589 119.914 -0.130 0.000 2.521 352 V HA 0.184 4.925 4.120 1.035 0.000 0.286 352 V C 0.893 176.919 176.094 -0.115 0.000 1.034 352 V CA -0.013 62.203 62.300 -0.139 0.000 1.045 352 V CB 1.044 32.834 31.823 -0.055 0.000 0.974 352 V HN 0.770 nan 8.190 nan 0.000 0.480 353 K N 3.474 123.770 120.400 -0.173 0.000 2.334 353 K HA 0.371 5.312 4.320 1.035 0.000 0.195 353 K C 0.168 176.820 176.600 0.086 0.000 1.045 353 K CA 0.443 56.675 56.287 -0.091 0.000 1.004 353 K CB 0.388 32.731 32.500 -0.262 0.000 0.837 353 K HN 0.655 nan 8.250 nan 0.000 0.510 354 M N 0.222 119.862 119.600 0.067 0.000 2.365 354 M HA 0.275 5.376 4.480 1.035 0.000 0.287 354 M C -1.752 174.613 176.300 0.108 0.000 1.154 354 M CA -0.378 54.950 55.300 0.046 0.000 0.941 354 M CB 2.172 34.757 32.600 -0.025 0.000 1.704 354 M HN 0.030 nan 8.290 nan 0.000 0.479 355 S N 2.366 118.146 115.700 0.133 0.000 2.536 355 S HA 0.770 5.861 4.470 1.035 0.000 0.298 355 S C -1.445 173.335 174.600 0.301 0.000 1.083 355 S CA -0.757 57.553 58.200 0.183 0.000 0.995 355 S CB 0.864 64.194 63.200 0.217 0.000 1.058 355 S HN 0.678 nan 8.310 nan 0.000 0.488 356 W N 1.834 123.135 121.300 0.003 0.000 2.170 356 W HA 0.339 5.592 4.660 0.988 0.000 0.336 356 W C 0.849 177.389 176.519 0.034 0.000 1.283 356 W CA -0.887 56.471 57.345 0.020 0.000 1.224 356 W CB -0.035 29.445 29.460 0.033 0.000 1.132 356 W HN 0.577 nan 8.180 nan 0.000 0.571 357 Q N 1.387 121.305 119.800 0.196 0.000 2.340 357 Q HA 0.167 5.128 4.340 1.035 0.000 0.249 357 Q C 0.232 176.324 176.000 0.153 0.000 0.957 357 Q CA -0.037 55.849 55.803 0.138 0.000 0.882 357 Q CB 0.671 29.415 28.738 0.010 0.000 1.235 357 Q HN 0.333 nan 8.270 nan 0.000 0.439 358 T N 3.144 117.784 114.554 0.143 0.000 2.940 358 T HA 0.042 5.013 4.350 1.035 0.000 0.309 358 T C 0.347 175.058 174.700 0.019 0.000 1.056 358 T CA -0.278 61.871 62.100 0.081 0.000 1.137 358 T CB 0.360 69.263 68.868 0.058 0.000 0.976 358 T HN 0.108 nan 8.240 nan 0.000 0.547 359 K N 3.189 123.528 120.400 -0.101 0.000 2.350 359 K HA 0.162 5.103 4.320 1.035 0.000 0.279 359 K C 0.473 176.905 176.600 -0.279 0.000 1.027 359 K CA 0.108 56.199 56.287 -0.328 0.000 0.969 359 K CB 0.556 32.627 32.500 -0.715 0.000 0.954 359 K HN 0.676 nan 8.250 nan 0.000 0.474 360 E N 2.332 122.394 120.200 -0.230 0.000 3.858 360 E HA 0.089 5.060 4.350 1.035 0.000 0.208 360 E C 0.232 176.797 176.600 -0.058 0.000 1.041 360 E CA -0.075 56.260 56.400 -0.109 0.000 1.368 360 E CB 0.191 29.887 29.700 -0.006 0.000 1.176 360 E HN 0.535 nan 8.360 nan 0.000 0.448 361 Y N 0.147 120.391 120.300 -0.093 0.000 2.256 361 Y HA -0.270 4.899 4.550 1.032 0.000 0.288 361 Y C 2.421 178.255 175.900 -0.110 0.000 1.155 361 Y CA 0.824 58.840 58.100 -0.139 0.000 1.203 361 Y CB -0.040 38.331 38.460 -0.150 0.000 0.980 361 Y HN 0.272 nan 8.280 nan 0.000 0.530 362 N N 0.159 118.905 118.700 0.077 0.000 2.364 362 N HA -0.136 5.225 4.740 1.035 0.000 0.183 362 N C 1.257 176.772 175.510 0.008 0.000 1.022 362 N CA 1.106 54.180 53.050 0.040 0.000 0.883 362 N CB -0.088 38.417 38.487 0.031 0.000 0.965 362 N HN 0.080 nan 8.380 nan 0.000 0.438 363 V N -0.733 119.163 119.914 -0.030 0.000 2.690 363 V HA -0.003 4.738 4.120 1.035 0.000 0.240 363 V C 2.007 178.013 176.094 -0.147 0.000 1.078 363 V CA 1.094 63.350 62.300 -0.074 0.000 1.102 363 V CB 0.211 31.991 31.823 -0.072 0.000 0.800 363 V HN 0.358 nan 8.190 nan 0.000 0.479 364 V N -1.596 118.183 119.914 -0.224 0.000 3.235 364 V HA 0.253 4.994 4.120 1.035 0.000 0.259 364 V C 1.020 177.109 176.094 -0.007 0.000 1.133 364 V CA 0.383 62.514 62.300 -0.282 0.000 1.128 364 V CB -0.509 30.925 31.823 -0.647 0.000 0.757 364 V HN 0.363 nan 8.190 nan 0.000 0.469 365 R N 1.036 121.541 120.500 0.007 0.000 2.604 365 R HA 0.511 5.472 4.340 1.035 0.000 0.287 365 R C -0.118 176.217 176.300 0.058 0.000 0.970 365 R CA -0.317 55.801 56.100 0.031 0.000 0.946 365 R CB 0.965 31.129 30.300 -0.227 0.000 1.127 365 R HN 0.179 nan 8.270 nan 0.000 0.473 366 N N 1.533 120.304 118.700 0.119 0.000 2.235 366 N HA 0.039 5.400 4.740 1.035 0.000 0.231 366 N C -1.175 174.412 175.510 0.128 0.000 1.177 366 N CA -0.050 53.061 53.050 0.102 0.000 0.874 366 N CB 0.405 38.943 38.487 0.085 0.000 1.097 366 N HN 0.649 nan 8.380 nan 0.000 0.518 367 N N -2.430 116.396 118.700 0.210 0.000 2.494 367 N HA 0.329 5.690 4.740 1.035 0.000 0.270 367 N C -0.671 175.016 175.510 0.295 0.000 1.285 367 N CA -0.754 52.419 53.050 0.204 0.000 0.812 367 N CB 1.260 39.834 38.487 0.146 0.000 1.557 367 N HN -0.388 nan 8.380 nan 0.000 0.487 368 V N 0.000 120.030 119.914 0.193 0.000 2.409 368 V HA 0.000 4.741 4.120 1.035 0.000 0.244 368 V CA 0.000 62.425 62.300 0.208 0.000 1.235 368 V CB 0.000 31.889 31.823 0.109 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556