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 2a99_1_A DATA FIRST_RESID 95 DATA SEQUENCE DPFAGDPPRH PGLRVNSQKP FNAEPPAELL AERFLTPNEL FFTRNHLPVP DATA SEQUENCE AVEPSSYRLR VDGPGGGTLS LSLAELRSRF PKHEVTATLQ CAGNRRSEMS DATA SEQUENCE RVRPVKGLPW DIGAISTARW GGARLRDVLL HAGFPEELQG EWHVCFEGLD DATA SEQUENCE ADPGGAPYGA SIPYGRALSP AADVLLAYEM NGTELPRDHG FPVRVVVPGV DATA SEQUENCE VGARSVKWLR RVAVSPDESP SHWQQNDYKG FSPCVDWDTV DYRTAPAIQE DATA SEQUENCE LPVQSAVTQP RPGAAVPPGE LTVKGYAWSG GGREVVRVDV SLDGGRTWKV DATA SEQUENCE ARLMGDKAPP GRAWAWALWE LTVPVEAGTE LEIVCKAVDS SYNVQPDSVA DATA SEQUENCE PIWNLRGVLS TAWHRVRVSV QD 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 95 D HA 0.000 nan 4.640 nan 0.000 0.175 95 D C 0.000 176.330 176.300 0.051 0.000 2.045 95 D CA 0.000 54.047 54.000 0.078 0.000 0.868 95 D CB 0.000 40.860 40.800 0.100 0.000 0.688 96 P HA 0.062 nan 4.420 nan 0.000 0.223 96 P C 0.849 177.935 177.300 -0.355 0.000 1.144 96 P CA 0.757 63.738 63.100 -0.198 0.000 0.783 96 P CB 0.003 31.511 31.700 -0.321 0.000 0.771 97 F N -1.299 118.641 119.950 -0.017 0.000 2.695 97 F HA 0.381 4.908 4.527 0.001 0.000 0.303 97 F C 2.181 177.963 175.800 -0.031 0.000 1.091 97 F CA -0.068 57.918 58.000 -0.024 0.000 1.300 97 F CB -0.678 38.321 39.000 -0.002 0.000 1.071 97 F HN -0.150 nan 8.300 nan 0.000 0.578 98 A N 0.383 123.259 122.820 0.095 0.000 1.978 98 A HA -0.096 4.225 4.320 0.001 0.000 0.220 98 A C 2.441 180.032 177.584 0.011 0.000 1.170 98 A CA 1.804 53.870 52.037 0.048 0.000 0.636 98 A CB -1.218 17.796 19.000 0.023 0.000 0.810 98 A HN 0.388 nan 8.150 nan 0.000 0.448 99 G N -0.881 107.909 108.800 -0.018 0.000 2.985 99 G HA2 0.220 4.181 3.960 0.001 0.000 0.209 99 G HA3 0.220 4.181 3.960 0.001 0.000 0.209 99 G C -0.238 174.634 174.900 -0.047 0.000 1.165 99 G CA 0.038 45.113 45.100 -0.041 0.000 0.776 99 G HN 0.366 nan 8.290 nan 0.000 0.541 100 D N 1.512 121.901 120.400 -0.019 0.000 2.423 100 D HA 0.241 4.881 4.640 0.001 0.000 0.238 100 D C -1.629 174.633 176.300 -0.063 0.000 1.142 100 D CA -0.971 53.012 54.000 -0.028 0.000 0.884 100 D CB 1.216 42.040 40.800 0.040 0.000 1.199 100 D HN 0.107 nan 8.370 nan 0.000 0.438 101 P HA 0.216 nan 4.420 nan 0.000 0.274 101 P C -2.609 174.605 177.300 -0.144 0.000 1.237 101 P CA -1.159 61.882 63.100 -0.099 0.000 0.793 101 P CB 0.013 31.662 31.700 -0.084 0.000 0.977 102 P HA 0.341 nan 4.420 nan 0.000 0.274 102 P C -0.453 176.767 177.300 -0.135 0.000 1.231 102 P CA -0.167 62.860 63.100 -0.121 0.000 0.790 102 P CB 0.820 32.475 31.700 -0.075 0.000 0.951 103 R N -0.408 120.006 120.500 -0.143 0.000 2.892 103 R HA 0.373 4.714 4.340 0.001 0.000 0.265 103 R C 0.255 176.578 176.300 0.039 0.000 1.025 103 R CA -0.832 55.224 56.100 -0.073 0.000 0.982 103 R CB 0.237 30.431 30.300 -0.178 0.000 1.185 103 R HN 0.554 nan 8.270 nan 0.000 0.484 104 H N 3.692 122.785 119.070 0.038 0.000 2.964 104 H HA 0.031 4.587 4.556 0.001 0.000 0.328 104 H C -1.466 173.908 175.328 0.077 0.000 1.030 104 H CA -1.009 55.074 56.048 0.058 0.000 1.445 104 H CB 1.264 31.074 29.762 0.080 0.000 1.449 104 H HN 0.365 nan 8.280 nan 0.000 0.581 105 P HA -0.018 nan 4.420 nan 0.000 0.229 105 P C 1.091 178.423 177.300 0.054 0.000 1.160 105 P CA 0.975 64.025 63.100 -0.083 0.000 0.777 105 P CB 0.079 31.687 31.700 -0.152 0.000 0.814 106 G N -0.253 108.662 108.800 0.191 0.000 3.088 106 G HA2 0.148 4.109 3.960 0.001 0.000 0.212 106 G HA3 0.148 4.109 3.960 0.001 0.000 0.212 106 G C 0.390 175.445 174.900 0.259 0.000 1.173 106 G CA -0.125 45.136 45.100 0.268 0.000 0.779 106 G HN 0.107 nan 8.290 nan 0.000 0.540 107 L N 0.275 121.675 121.223 0.295 0.000 2.439 107 L HA 0.372 4.713 4.340 0.001 0.000 0.269 107 L C 0.596 177.559 176.870 0.155 0.000 1.179 107 L CA -0.380 54.598 54.840 0.230 0.000 0.828 107 L CB 0.798 43.039 42.059 0.303 0.000 1.106 107 L HN -0.036 nan 8.230 nan 0.000 0.467 108 R N 1.283 121.855 120.500 0.120 0.000 2.296 108 R HA 0.368 4.709 4.340 0.001 0.000 0.327 108 R C -1.077 175.227 176.300 0.006 0.000 1.137 108 R CA -0.180 55.961 56.100 0.067 0.000 1.020 108 R CB 0.251 30.597 30.300 0.076 0.000 1.110 108 R HN 0.345 nan 8.270 nan 0.000 0.499 109 V N 4.051 123.942 119.914 -0.038 0.000 2.432 109 V HA 0.104 4.224 4.120 0.001 0.000 0.275 109 V C 0.826 176.797 176.094 -0.206 0.000 1.043 109 V CA -0.437 61.759 62.300 -0.174 0.000 0.925 109 V CB 1.425 33.180 31.823 -0.113 0.000 0.985 109 V HN 0.841 nan 8.190 nan 0.000 0.466 110 N N 2.050 120.551 118.700 -0.332 0.000 2.322 110 N HA 0.089 4.830 4.740 0.001 0.000 0.181 110 N C 0.270 175.600 175.510 -0.299 0.000 1.088 110 N CA 0.103 52.955 53.050 -0.331 0.000 0.885 110 N CB 0.744 38.936 38.487 -0.492 0.000 1.013 110 N HN 0.508 nan 8.380 nan 0.000 0.472 111 S N -0.909 114.594 115.700 -0.329 0.000 2.566 111 S HA 0.254 4.724 4.470 0.001 0.000 0.273 111 S C -0.389 174.074 174.600 -0.229 0.000 1.157 111 S CA -0.570 57.482 58.200 -0.246 0.000 0.938 111 S CB 1.651 64.714 63.200 -0.230 0.000 1.087 111 S HN 0.100 nan 8.310 nan 0.000 0.474 112 Q N 3.357 123.083 119.800 -0.124 0.000 2.165 112 Q HA 0.344 4.685 4.340 0.001 0.000 0.197 112 Q C -0.512 175.443 176.000 -0.075 0.000 0.952 112 Q CA 1.445 57.253 55.803 0.010 0.000 0.848 112 Q CB 0.296 29.036 28.738 0.004 0.000 0.931 112 Q HN 0.647 nan 8.270 nan 0.000 0.470 113 K N 1.865 122.080 120.400 -0.308 0.000 2.604 113 K HA 0.384 4.704 4.320 0.001 0.000 0.247 113 K C -2.538 173.736 176.600 -0.543 0.000 0.956 113 K CA -1.776 54.028 56.287 -0.806 0.000 0.896 113 K CB 2.005 33.836 32.500 -1.115 0.000 1.131 113 K HN 0.161 nan 8.250 nan 0.000 0.440 114 P HA 0.111 nan 4.420 nan 0.000 0.276 114 P C -0.713 176.607 177.300 0.032 0.000 1.252 114 P CA -0.525 62.558 63.100 -0.029 0.000 0.802 114 P CB 0.598 32.462 31.700 0.274 0.000 1.035 115 F N 2.250 122.207 119.950 0.013 0.000 2.472 115 F HA 0.232 4.760 4.527 0.001 0.000 0.364 115 F C 0.225 176.059 175.800 0.057 0.000 1.090 115 F CA 0.212 58.220 58.000 0.014 0.000 1.188 115 F CB 0.076 39.103 39.000 0.047 0.000 1.105 115 F HN 0.172 nan 8.300 nan 0.000 0.536 116 N N 5.291 123.665 118.700 -0.544 0.000 2.480 116 N HA 0.667 5.408 4.740 0.001 0.000 0.289 116 N C -1.570 173.618 175.510 -0.538 0.000 1.073 116 N CA -0.537 52.315 53.050 -0.330 0.000 0.885 116 N CB 1.901 40.261 38.487 -0.210 0.000 1.421 116 N HN 0.640 nan 8.380 nan 0.000 0.503 117 A N 1.641 124.363 122.820 -0.164 0.000 2.606 117 A HA 0.629 4.949 4.320 0.001 0.000 0.293 117 A C -1.294 176.533 177.584 0.405 0.000 1.082 117 A CA -0.772 51.241 52.037 -0.040 0.000 0.685 117 A CB 1.865 20.724 19.000 -0.235 0.000 1.284 117 A HN 0.658 nan 8.150 nan 0.000 0.408 118 E N 1.209 121.614 120.200 0.341 0.000 2.312 118 E HA 0.704 5.054 4.350 0.001 0.000 0.267 118 E C -2.928 173.794 176.600 0.204 0.000 0.894 118 E CA -2.244 54.358 56.400 0.337 0.000 0.773 118 E CB 2.520 32.425 29.700 0.342 0.000 1.241 118 E HN 0.368 nan 8.360 nan 0.000 0.432 119 P HA 0.159 nan 4.420 nan 0.000 0.272 119 P C -2.464 174.889 177.300 0.087 0.000 1.230 119 P CA -1.354 61.804 63.100 0.098 0.000 0.788 119 P CB -0.476 31.253 31.700 0.048 0.000 0.949 120 P HA -0.014 nan 4.420 nan 0.000 0.266 120 P C 0.794 178.128 177.300 0.058 0.000 1.195 120 P CA 0.384 63.526 63.100 0.070 0.000 0.768 120 P CB 0.068 31.807 31.700 0.064 0.000 0.838 121 A N 4.273 127.130 122.820 0.063 0.000 2.024 121 A HA -0.200 4.120 4.320 0.001 0.000 0.220 121 A C 1.686 179.289 177.584 0.031 0.000 1.164 121 A CA 1.335 53.408 52.037 0.059 0.000 0.643 121 A CB -0.829 18.215 19.000 0.073 0.000 0.806 121 A HN 0.641 nan 8.150 nan 0.000 0.451 122 E N 0.186 120.402 120.200 0.027 0.000 2.347 122 E HA -0.077 4.273 4.350 0.001 0.000 0.196 122 E C 1.521 178.120 176.600 -0.001 0.000 1.008 122 E CA 0.813 57.218 56.400 0.008 0.000 0.852 122 E CB -0.353 29.356 29.700 0.015 0.000 0.783 122 E HN 0.686 nan 8.360 nan 0.000 0.505 123 L N 0.027 121.255 121.223 0.008 0.000 2.537 123 L HA 0.171 4.512 4.340 0.001 0.000 0.224 123 L C 2.471 179.341 176.870 -0.000 0.000 1.065 123 L CA -0.125 54.715 54.840 -0.000 0.000 0.860 123 L CB -0.124 41.935 42.059 0.001 0.000 1.086 123 L HN 0.029 nan 8.230 nan 0.000 0.482 124 L N 0.953 122.185 121.223 0.014 0.000 2.011 124 L HA -0.302 4.039 4.340 0.001 0.000 0.225 124 L C 1.989 178.870 176.870 0.017 0.000 1.084 124 L CA 2.191 57.053 54.840 0.038 0.000 0.791 124 L CB -0.149 41.944 42.059 0.057 0.000 0.898 124 L HN 0.351 nan 8.230 nan 0.000 0.440 125 A N -1.827 120.939 122.820 -0.090 0.000 2.507 125 A HA 0.017 4.338 4.320 0.001 0.000 0.270 125 A C 1.769 179.262 177.584 -0.153 0.000 1.318 125 A CA -0.026 51.866 52.037 -0.242 0.000 0.924 125 A CB -0.148 18.637 19.000 -0.357 0.000 1.061 125 A HN 0.527 nan 8.150 nan 0.000 0.516 126 E N 0.501 120.662 120.200 -0.065 0.000 2.106 126 E HA -0.104 4.246 4.350 0.001 0.000 0.192 126 E C 0.363 176.959 176.600 -0.006 0.000 0.984 126 E CA 0.759 57.135 56.400 -0.039 0.000 0.806 126 E CB 0.127 29.817 29.700 -0.017 0.000 0.750 126 E HN 0.637 nan 8.360 nan 0.000 0.458 127 R N -1.278 119.243 120.500 0.034 0.000 2.795 127 R HA 0.204 4.545 4.340 0.001 0.000 0.275 127 R C 0.174 176.596 176.300 0.202 0.000 0.981 127 R CA -0.564 55.597 56.100 0.101 0.000 0.917 127 R CB 0.580 30.930 30.300 0.084 0.000 1.202 127 R HN -0.022 nan 8.270 nan 0.000 0.469 128 F N 1.645 121.666 119.950 0.119 0.000 2.102 128 F HA 0.071 4.599 4.527 0.001 0.000 0.298 128 F C 0.210 176.218 175.800 0.348 0.000 1.105 128 F CA 1.268 59.429 58.000 0.268 0.000 1.239 128 F CB 0.329 39.431 39.000 0.169 0.000 0.991 128 F HN 0.209 nan 8.300 nan 0.000 0.474 129 L N 1.558 122.830 121.223 0.082 0.000 2.272 129 L HA 0.278 4.618 4.340 0.001 0.000 0.289 129 L C 0.015 176.861 176.870 -0.040 0.000 1.032 129 L CA -0.671 54.108 54.840 -0.100 0.000 0.810 129 L CB 1.267 43.300 42.059 -0.044 0.000 1.205 129 L HN -0.163 nan 8.230 nan 0.000 0.422 130 T N 4.295 118.789 114.554 -0.099 0.000 2.779 130 T HA 0.194 4.545 4.350 0.001 0.000 0.296 130 T C -2.281 172.400 174.700 -0.032 0.000 0.938 130 T CA -1.038 61.030 62.100 -0.052 0.000 1.119 130 T CB 0.579 69.343 68.868 -0.174 0.000 0.891 130 T HN 0.301 nan 8.240 nan 0.000 0.526 131 P HA 0.081 nan 4.420 nan 0.000 0.265 131 P C 0.730 178.010 177.300 -0.034 0.000 1.187 131 P CA -0.222 62.852 63.100 -0.043 0.000 0.766 131 P CB 0.487 32.164 31.700 -0.038 0.000 0.820 132 N N 2.209 120.858 118.700 -0.085 0.000 2.192 132 N HA -0.184 4.557 4.740 0.001 0.000 0.188 132 N C 1.307 176.823 175.510 0.010 0.000 1.013 132 N CA 1.267 54.243 53.050 -0.124 0.000 0.863 132 N CB -0.357 38.047 38.487 -0.139 0.000 0.990 132 N HN 0.579 nan 8.380 nan 0.000 0.430 133 E N 0.152 120.368 120.200 0.028 0.000 2.358 133 E HA -0.047 4.303 4.350 0.001 0.000 0.195 133 E C 1.499 178.131 176.600 0.053 0.000 1.010 133 E CA 0.521 56.967 56.400 0.076 0.000 0.856 133 E CB -0.235 29.513 29.700 0.081 0.000 0.795 133 E HN 0.418 nan 8.360 nan 0.000 0.504 134 L N -0.457 120.771 121.223 0.009 0.000 2.638 134 L HA 0.263 4.603 4.340 0.001 0.000 0.232 134 L C 0.647 177.585 176.870 0.113 0.000 1.099 134 L CA -0.542 54.298 54.840 0.001 0.000 0.883 134 L CB 0.097 42.102 42.059 -0.090 0.000 1.136 134 L HN -0.086 nan 8.230 nan 0.000 0.492 135 F N 2.634 122.560 119.950 -0.041 0.000 2.623 135 F HA -0.022 4.506 4.527 0.001 0.000 0.383 135 F C 0.743 176.605 175.800 0.103 0.000 1.077 135 F CA -1.113 56.842 58.000 -0.076 0.000 1.268 135 F CB 0.230 39.000 39.000 -0.383 0.000 1.053 135 F HN -0.032 nan 8.300 nan 0.000 0.571 136 F N 3.870 123.805 119.950 -0.025 0.000 2.595 136 F HA 0.377 4.904 4.527 0.001 0.000 0.359 136 F C -0.208 175.818 175.800 0.378 0.000 1.147 136 F CA -0.673 57.395 58.000 0.113 0.000 1.341 136 F CB -0.203 38.718 39.000 -0.131 0.000 1.104 136 F HN 0.360 nan 8.300 nan 0.000 0.603 137 T N 5.287 119.952 114.554 0.186 0.000 2.840 137 T HA 0.376 4.726 4.350 0.001 0.000 0.287 137 T C -0.788 174.022 174.700 0.183 0.000 0.991 137 T CA -0.738 61.409 62.100 0.079 0.000 0.964 137 T CB 1.000 70.027 68.868 0.265 0.000 0.954 137 T HN 0.629 nan 8.240 nan 0.000 0.438 138 R N 3.553 124.071 120.500 0.030 0.000 2.412 138 R HA 0.374 4.715 4.340 0.001 0.000 0.304 138 R C -1.378 174.961 176.300 0.065 0.000 1.066 138 R CA -0.605 55.595 56.100 0.166 0.000 0.923 138 R CB 0.459 30.880 30.300 0.202 0.000 1.156 138 R HN 0.526 nan 8.270 nan 0.000 0.513 139 N N 1.945 120.719 118.700 0.124 0.000 2.372 139 N HA 0.223 4.964 4.740 0.001 0.000 0.291 139 N C 0.184 175.746 175.510 0.087 0.000 1.024 139 N CA -0.477 52.678 53.050 0.175 0.000 0.873 139 N CB 1.426 40.084 38.487 0.286 0.000 1.206 139 N HN 0.484 nan 8.380 nan 0.000 0.486 140 H N 0.406 119.504 119.070 0.047 0.000 2.544 140 H HA 0.371 4.927 4.556 0.001 0.000 0.269 140 H C 0.057 175.485 175.328 0.167 0.000 0.970 140 H CA 0.728 56.829 56.048 0.088 0.000 1.219 140 H CB 0.577 30.307 29.762 -0.054 0.000 1.421 140 H HN 0.324 nan 8.280 nan 0.000 0.555 141 L N -1.235 120.137 121.223 0.248 0.000 2.510 141 L HA 0.421 4.761 4.340 0.001 0.000 0.252 141 L C -2.457 174.453 176.870 0.068 0.000 1.091 141 L CA -2.576 52.366 54.840 0.170 0.000 0.888 141 L CB 1.952 44.047 42.059 0.059 0.000 1.507 141 L HN -0.210 nan 8.230 nan 0.000 0.407 142 P HA 0.057 nan 4.420 nan 0.000 0.269 142 P C -0.862 176.197 177.300 -0.401 0.000 1.209 142 P CA -0.212 62.627 63.100 -0.434 0.000 0.776 142 P CB 0.462 31.708 31.700 -0.756 0.000 0.876 143 V N 5.479 125.178 119.914 -0.359 0.000 2.470 143 V HA 0.122 4.243 4.120 0.001 0.000 0.276 143 V C -1.829 173.907 176.094 -0.596 0.000 1.040 143 V CA -1.195 60.737 62.300 -0.613 0.000 1.008 143 V CB 0.059 31.730 31.823 -0.253 0.000 0.990 143 V HN 0.577 nan 8.190 nan 0.000 0.477 144 P HA 0.256 nan 4.420 nan 0.000 0.268 144 P C -0.591 176.561 177.300 -0.247 0.000 1.205 144 P CA -0.012 62.802 63.100 -0.476 0.000 0.771 144 P CB 0.596 32.015 31.700 -0.468 0.000 0.858 145 A N 3.247 125.994 122.820 -0.121 0.000 2.252 145 A HA 0.518 4.839 4.320 0.001 0.000 0.309 145 A C -0.512 177.096 177.584 0.039 0.000 1.285 145 A CA -0.400 51.619 52.037 -0.029 0.000 0.900 145 A CB 0.197 19.174 19.000 -0.039 0.000 1.157 145 A HN 0.362 nan 8.150 nan 0.000 0.536 146 V N 3.005 122.998 119.914 0.131 0.000 2.487 146 V HA 0.315 4.435 4.120 0.001 0.000 0.298 146 V C -0.042 176.180 176.094 0.213 0.000 1.028 146 V CA -0.762 61.644 62.300 0.177 0.000 0.860 146 V CB 1.747 33.686 31.823 0.193 0.000 0.991 146 V HN 0.916 nan 8.190 nan 0.000 0.427 147 E N 7.133 127.429 120.200 0.159 0.000 2.152 147 E HA 0.262 4.613 4.350 0.001 0.000 0.285 147 E C -1.779 174.925 176.600 0.173 0.000 1.043 147 E CA -2.020 54.468 56.400 0.147 0.000 0.839 147 E CB 2.013 31.771 29.700 0.097 0.000 1.069 147 E HN 0.356 nan 8.360 nan 0.000 0.399 148 P HA -0.158 nan 4.420 nan 0.000 0.216 148 P C 1.263 178.643 177.300 0.133 0.000 1.150 148 P CA 1.229 64.418 63.100 0.148 0.000 0.837 148 P CB 0.178 32.009 31.700 0.218 0.000 0.786 149 S N -0.161 115.607 115.700 0.112 0.000 2.406 149 S HA -0.081 4.389 4.470 0.001 0.000 0.228 149 S C 2.021 176.674 174.600 0.088 0.000 1.020 149 S CA 1.299 59.551 58.200 0.086 0.000 0.965 149 S CB -1.478 61.759 63.200 0.061 0.000 0.798 149 S HN 0.275 nan 8.310 nan 0.000 0.488 150 S N -0.174 115.584 115.700 0.096 0.000 2.527 150 S HA 0.127 4.598 4.470 0.001 0.000 0.222 150 S C 0.431 175.084 174.600 0.088 0.000 0.985 150 S CA -0.569 57.676 58.200 0.075 0.000 0.921 150 S CB -0.951 62.287 63.200 0.062 0.000 0.772 150 S HN 0.625 nan 8.310 nan 0.000 0.529 151 Y N 3.600 123.906 120.300 0.011 0.000 2.620 151 Y HA 0.396 4.947 4.550 0.001 0.000 0.330 151 Y C 0.154 176.054 175.900 0.000 0.000 1.186 151 Y CA -0.268 57.832 58.100 0.000 0.000 1.467 151 Y CB 0.403 38.846 38.460 -0.030 0.000 1.262 151 Y HN 0.015 nan 8.280 nan 0.000 0.550 152 R N 6.687 126.726 120.500 -0.767 0.000 2.575 152 R HA 0.339 4.680 4.340 0.001 0.000 0.293 152 R C -1.818 173.977 176.300 -0.843 0.000 0.983 152 R CA -1.236 54.478 56.100 -0.643 0.000 0.887 152 R CB 1.697 31.839 30.300 -0.262 0.000 1.184 152 R HN 0.805 nan 8.270 nan 0.000 0.445 153 L N 2.896 123.774 121.223 -0.575 0.000 2.276 153 L HA 0.444 4.784 4.340 0.001 0.000 0.286 153 L C 0.146 176.959 176.870 -0.095 0.000 1.061 153 L CA -0.058 54.627 54.840 -0.258 0.000 0.807 153 L CB 0.679 42.727 42.059 -0.018 0.000 1.177 153 L HN 0.517 nan 8.230 nan 0.000 0.429 154 R N 4.872 125.343 120.500 -0.047 0.000 2.255 154 R HA 0.647 4.988 4.340 0.001 0.000 0.326 154 R C -1.732 174.602 176.300 0.055 0.000 0.986 154 R CA -0.558 55.545 56.100 0.004 0.000 0.847 154 R CB 1.462 31.763 30.300 0.002 0.000 1.111 154 R HN 0.602 nan 8.270 nan 0.000 0.452 155 V N 4.638 124.598 119.914 0.077 0.000 2.483 155 V HA 0.338 4.458 4.120 0.001 0.000 0.297 155 V C -1.260 174.914 176.094 0.134 0.000 1.027 155 V CA -0.833 61.536 62.300 0.116 0.000 0.855 155 V CB 1.822 33.725 31.823 0.134 0.000 0.995 155 V HN 0.842 nan 8.190 nan 0.000 0.424 156 D N 5.515 126.009 120.400 0.158 0.000 2.312 156 D HA 0.410 5.051 4.640 0.001 0.000 0.252 156 D C 0.572 177.024 176.300 0.254 0.000 1.150 156 D CA 0.538 54.635 54.000 0.161 0.000 0.870 156 D CB 1.930 42.818 40.800 0.146 0.000 1.153 156 D HN 0.836 nan 8.370 nan 0.000 0.457 157 G N 2.072 110.925 108.800 0.089 0.000 2.616 157 G HA2 0.231 4.191 3.960 0.001 0.000 0.268 157 G HA3 0.231 4.191 3.960 0.001 0.000 0.268 157 G C -1.512 173.211 174.900 -0.295 0.000 1.213 157 G CA -0.894 44.120 45.100 -0.143 0.000 0.926 157 G HN 0.234 nan 8.290 nan 0.000 0.523 158 P HA -0.008 nan 4.420 nan 0.000 0.218 158 P C 1.577 178.743 177.300 -0.223 0.000 1.149 158 P CA 1.535 64.260 63.100 -0.625 0.000 0.817 158 P CB 0.193 31.452 31.700 -0.736 0.000 0.785 159 G N -2.194 106.494 108.800 -0.186 0.000 3.189 159 G HA2 0.354 4.315 3.960 0.001 0.000 0.225 159 G HA3 0.354 4.315 3.960 0.001 0.000 0.225 159 G C 1.011 175.885 174.900 -0.044 0.000 1.159 159 G CA 0.355 45.399 45.100 -0.094 0.000 0.763 159 G HN 0.405 nan 8.290 nan 0.000 0.549 160 G N -1.201 107.583 108.800 -0.026 0.000 2.195 160 G HA2 -0.030 3.931 3.960 0.001 0.000 0.224 160 G HA3 -0.030 3.931 3.960 0.001 0.000 0.224 160 G C 0.809 175.710 174.900 0.002 0.000 0.990 160 G CA 0.139 45.244 45.100 0.008 0.000 0.639 160 G HN 1.003 nan 8.290 nan 0.000 0.514 161 G N -0.635 108.153 108.800 -0.021 0.000 2.634 161 G HA2 0.535 4.496 3.960 0.001 0.000 0.255 161 G HA3 0.535 4.496 3.960 0.001 0.000 0.255 161 G C -0.234 174.668 174.900 0.003 0.000 1.205 161 G CA 0.784 45.873 45.100 -0.017 0.000 0.884 161 G HN 0.628 nan 8.290 nan 0.000 0.549 162 T N 1.013 115.572 114.554 0.008 0.000 2.840 162 T HA 0.363 4.713 4.350 0.001 0.000 0.287 162 T C -0.251 174.462 174.700 0.022 0.000 0.991 162 T CA -0.342 61.773 62.100 0.025 0.000 0.964 162 T CB 1.252 70.135 68.868 0.025 0.000 0.954 162 T HN 0.387 nan 8.240 nan 0.000 0.438 163 L N 3.116 124.363 121.223 0.039 0.000 2.326 163 L HA 0.701 5.041 4.340 0.001 0.000 0.278 163 L C -0.108 176.795 176.870 0.055 0.000 1.092 163 L CA -0.237 54.633 54.840 0.051 0.000 0.810 163 L CB 1.324 43.429 42.059 0.077 0.000 1.153 163 L HN 0.635 nan 8.230 nan 0.000 0.439 164 S N 5.794 121.524 115.700 0.049 0.000 2.659 164 S HA 0.609 5.080 4.470 0.001 0.000 0.312 164 S C -0.968 173.651 174.600 0.033 0.000 1.114 164 S CA -0.674 57.538 58.200 0.019 0.000 1.063 164 S CB 0.814 64.012 63.200 -0.004 0.000 0.996 164 S HN 0.561 nan 8.310 nan 0.000 0.478 165 L N 4.214 125.451 121.223 0.024 0.000 2.346 165 L HA 0.585 4.925 4.340 0.001 0.000 0.276 165 L C 0.566 177.441 176.870 0.009 0.000 1.006 165 L CA -0.709 54.167 54.840 0.060 0.000 0.817 165 L CB 2.246 44.391 42.059 0.144 0.000 1.272 165 L HN 0.775 nan 8.230 nan 0.000 0.421 166 S N 1.726 117.448 115.700 0.037 0.000 2.645 166 S HA 0.231 4.702 4.470 0.001 0.000 0.266 166 S C 0.796 175.466 174.600 0.116 0.000 1.258 166 S CA -0.649 57.584 58.200 0.054 0.000 0.990 166 S CB 1.213 64.437 63.200 0.040 0.000 0.967 166 S HN 0.592 nan 8.310 nan 0.000 0.556 167 L N 1.599 122.926 121.223 0.173 0.000 2.083 167 L HA 0.086 4.426 4.340 0.001 0.000 0.209 167 L C 2.564 179.408 176.870 -0.044 0.000 1.083 167 L CA 2.370 57.255 54.840 0.075 0.000 0.752 167 L CB -1.568 40.496 42.059 0.008 0.000 0.899 167 L HN 0.936 nan 8.230 nan 0.000 0.433 168 A N -0.905 121.902 122.820 -0.022 0.000 1.902 168 A HA -0.259 4.061 4.320 0.001 0.000 0.217 168 A C 2.343 179.898 177.584 -0.048 0.000 1.181 168 A CA 1.793 53.800 52.037 -0.051 0.000 0.623 168 A CB -0.674 18.312 19.000 -0.024 0.000 0.818 168 A HN 0.617 nan 8.150 nan 0.000 0.443 169 E N -0.792 119.402 120.200 -0.009 0.000 2.107 169 E HA -0.149 4.202 4.350 0.001 0.000 0.191 169 E C 1.869 178.499 176.600 0.049 0.000 0.982 169 E CA 0.950 57.345 56.400 -0.008 0.000 0.809 169 E CB -0.151 29.561 29.700 0.020 0.000 0.756 169 E HN 0.431 nan 8.360 nan 0.000 0.459 170 L N 1.221 122.520 121.223 0.126 0.000 2.083 170 L HA -0.158 4.183 4.340 0.001 0.000 0.209 170 L C 2.256 179.238 176.870 0.188 0.000 1.083 170 L CA 1.659 56.662 54.840 0.271 0.000 0.752 170 L CB -0.166 42.002 42.059 0.182 0.000 0.899 170 L HN 0.018 nan 8.230 nan 0.000 0.433 171 R N -1.213 119.214 120.500 -0.122 0.000 2.090 171 R HA -0.074 4.266 4.340 0.001 0.000 0.228 171 R C 2.359 178.635 176.300 -0.039 0.000 1.110 171 R CA 1.456 57.417 56.100 -0.231 0.000 0.973 171 R CB -0.318 29.743 30.300 -0.398 0.000 0.869 171 R HN 0.609 nan 8.270 nan 0.000 0.440 172 S N 0.063 115.726 115.700 -0.061 0.000 2.441 172 S HA 0.041 4.511 4.470 0.001 0.000 0.224 172 S C 1.975 176.487 174.600 -0.146 0.000 1.043 172 S CA -0.038 58.116 58.200 -0.077 0.000 0.948 172 S CB 0.021 63.172 63.200 -0.081 0.000 0.810 172 S HN 0.153 nan 8.310 nan 0.000 0.504 173 R N 0.068 120.397 120.500 -0.284 0.000 2.075 173 R HA 0.162 4.502 4.340 0.001 0.000 0.232 173 R C -0.447 175.422 176.300 -0.718 0.000 1.126 173 R CA 0.843 56.559 56.100 -0.639 0.000 0.963 173 R CB -0.161 29.394 30.300 -1.242 0.000 0.858 173 R HN 0.425 nan 8.270 nan 0.000 0.435 174 F N 1.091 121.021 119.950 -0.033 0.000 2.421 174 F HA 0.345 4.873 4.527 0.001 0.000 0.337 174 F C -1.915 173.910 175.800 0.042 0.000 1.105 174 F CA -3.444 54.556 58.000 0.000 0.000 1.049 174 F CB 0.577 39.591 39.000 0.023 0.000 1.139 174 F HN -0.175 nan 8.300 nan 0.000 0.479 175 P HA 0.062 nan 4.420 nan 0.000 0.271 175 P C -0.632 176.776 177.300 0.180 0.000 1.220 175 P CA -0.528 62.655 63.100 0.138 0.000 0.768 175 P CB 0.586 32.340 31.700 0.092 0.000 0.848 176 K N 2.818 123.326 120.400 0.180 0.000 2.401 176 K HA 0.098 4.419 4.320 0.001 0.000 0.278 176 K C -0.452 176.253 176.600 0.174 0.000 1.018 176 K CA -0.104 56.291 56.287 0.180 0.000 0.981 176 K CB 0.117 32.726 32.500 0.183 0.000 0.933 176 K HN 0.568 nan 8.250 nan 0.000 0.477 177 H N 2.190 121.263 119.070 0.006 0.000 2.637 177 H HA 0.330 4.886 4.556 0.001 0.000 0.363 177 H C -1.389 173.928 175.328 -0.018 0.000 1.131 177 H CA -0.646 55.404 56.048 0.004 0.000 1.183 177 H CB 1.331 31.095 29.762 0.004 0.000 1.637 177 H HN 0.640 nan 8.280 nan 0.000 0.531 178 E N 3.329 123.330 120.200 -0.331 0.000 2.199 178 E HA 0.523 4.874 4.350 0.001 0.000 0.269 178 E C -1.125 175.239 176.600 -0.393 0.000 0.899 178 E CA -1.135 55.098 56.400 -0.279 0.000 0.772 178 E CB 2.691 32.323 29.700 -0.112 0.000 1.155 178 E HN 0.269 nan 8.360 nan 0.000 0.408 179 V N 2.301 122.094 119.914 -0.202 0.000 2.623 179 V HA 0.234 4.355 4.120 0.001 0.000 0.304 179 V C -0.330 175.827 176.094 0.104 0.000 1.054 179 V CA -0.845 61.415 62.300 -0.066 0.000 0.882 179 V CB 2.110 33.862 31.823 -0.119 0.000 1.002 179 V HN 0.683 nan 8.190 nan 0.000 0.424 180 T N 4.678 119.321 114.554 0.149 0.000 2.728 180 T HA 0.711 5.062 4.350 0.001 0.000 0.296 180 T C 0.065 174.912 174.700 0.245 0.000 0.940 180 T CA 0.002 62.185 62.100 0.138 0.000 1.013 180 T CB 0.955 69.932 68.868 0.182 0.000 0.912 180 T HN 1.021 nan 8.240 nan 0.000 0.484 181 A N 3.178 126.147 122.820 0.248 0.000 2.486 181 A HA 0.718 5.039 4.320 0.001 0.000 0.300 181 A C -0.047 177.623 177.584 0.144 0.000 1.048 181 A CA -0.872 51.331 52.037 0.276 0.000 0.696 181 A CB 1.404 20.526 19.000 0.202 0.000 1.278 181 A HN 0.584 nan 8.150 nan 0.000 0.405 182 T N 2.682 117.212 114.554 -0.041 0.000 2.771 182 T HA 0.528 4.878 4.350 0.001 0.000 0.291 182 T C -0.239 174.218 174.700 -0.404 0.000 0.954 182 T CA 0.040 61.879 62.100 -0.435 0.000 1.045 182 T CB 0.116 68.474 68.868 -0.850 0.000 0.917 182 T HN 0.417 nan 8.240 nan 0.000 0.484 183 L N 3.634 124.678 121.223 -0.297 0.000 2.296 183 L HA 0.532 4.873 4.340 0.001 0.000 0.286 183 L C 0.168 176.830 176.870 -0.347 0.000 1.023 183 L CA -0.641 54.080 54.840 -0.199 0.000 0.812 183 L CB 1.501 43.621 42.059 0.101 0.000 1.223 183 L HN 0.526 nan 8.230 nan 0.000 0.421 184 Q N 2.463 121.980 119.800 -0.472 0.000 2.337 184 Q HA 0.305 4.646 4.340 0.001 0.000 0.270 184 Q C -1.179 174.613 176.000 -0.347 0.000 1.043 184 Q CA -0.583 54.884 55.803 -0.561 0.000 0.794 184 Q CB 2.631 30.986 28.738 -0.637 0.000 1.281 184 Q HN 0.779 nan 8.270 nan 0.000 0.446 185 C N 2.662 121.678 119.300 -0.472 0.000 2.605 185 C HA 0.519 4.979 4.460 0.001 0.000 0.404 185 C C 1.844 176.718 174.990 -0.194 0.000 1.284 185 C CA 0.412 59.245 59.018 -0.308 0.000 2.199 185 C CB 0.012 27.433 27.740 -0.531 0.000 2.647 185 C HN 1.027 nan 8.230 nan 0.000 0.604 186 A N 3.613 126.423 122.820 -0.015 0.000 1.978 186 A HA 0.044 4.364 4.320 0.001 0.000 0.220 186 A C 2.006 179.648 177.584 0.096 0.000 1.170 186 A CA 2.012 54.114 52.037 0.108 0.000 0.636 186 A CB -0.905 18.288 19.000 0.322 0.000 0.810 186 A HN 1.355 nan 8.150 nan 0.000 0.448 187 G N -0.678 108.170 108.800 0.080 0.000 2.985 187 G HA2 0.058 4.018 3.960 0.001 0.000 0.209 187 G HA3 0.058 4.018 3.960 0.001 0.000 0.209 187 G C 0.495 175.423 174.900 0.046 0.000 1.165 187 G CA 0.084 45.281 45.100 0.161 0.000 0.776 187 G HN 0.486 nan 8.290 nan 0.000 0.541 188 N N 1.144 119.727 118.700 -0.196 0.000 2.356 188 N HA -0.028 4.713 4.740 0.001 0.000 0.252 188 N C 1.072 176.601 175.510 0.031 0.000 1.241 188 N CA 0.255 53.192 53.050 -0.189 0.000 0.861 188 N CB 0.002 38.333 38.487 -0.260 0.000 1.075 188 N HN 0.329 nan 8.380 nan 0.000 0.461 189 R N 0.209 120.771 120.500 0.104 0.000 3.875 189 R HA -0.272 4.069 4.340 0.001 0.000 0.321 189 R C 1.187 177.577 176.300 0.150 0.000 1.196 189 R CA 1.019 57.193 56.100 0.124 0.000 0.868 189 R CB -1.505 28.848 30.300 0.088 0.000 1.333 189 R HN 0.698 nan 8.270 nan 0.000 0.522 190 R N 1.431 122.049 120.500 0.197 0.000 2.096 190 R HA -0.150 4.190 4.340 0.001 0.000 0.235 190 R C 2.014 178.404 176.300 0.151 0.000 1.127 190 R CA 2.141 58.344 56.100 0.172 0.000 0.968 190 R CB -0.126 30.307 30.300 0.222 0.000 0.861 190 R HN 0.452 nan 8.270 nan 0.000 0.440 191 S N 0.175 115.968 115.700 0.154 0.000 2.400 191 S HA -0.155 4.315 4.470 0.001 0.000 0.232 191 S C 1.550 176.233 174.600 0.139 0.000 1.025 191 S CA 1.381 59.659 58.200 0.130 0.000 0.993 191 S CB -0.187 63.081 63.200 0.113 0.000 0.808 191 S HN 0.517 nan 8.310 nan 0.000 0.478 192 E N 0.584 120.874 120.200 0.149 0.000 2.150 192 E HA 0.010 4.361 4.350 0.001 0.000 0.193 192 E C 2.016 178.716 176.600 0.167 0.000 0.985 192 E CA 1.029 57.523 56.400 0.156 0.000 0.814 192 E CB -0.235 29.567 29.700 0.170 0.000 0.752 192 E HN 0.565 nan 8.360 nan 0.000 0.466 193 M N 0.205 119.909 119.600 0.173 0.000 2.156 193 M HA -0.122 4.358 4.480 0.001 0.000 0.264 193 M C 2.152 178.645 176.300 0.320 0.000 1.067 193 M CA 1.104 56.542 55.300 0.231 0.000 1.131 193 M CB 0.219 32.891 32.600 0.119 0.000 1.368 193 M HN -0.046 nan 8.290 nan 0.000 0.416 194 S N -0.016 115.830 115.700 0.242 0.000 2.419 194 S HA -0.138 4.333 4.470 0.001 0.000 0.233 194 S C 1.698 176.412 174.600 0.190 0.000 1.016 194 S CA 1.081 59.427 58.200 0.244 0.000 0.974 194 S CB -0.292 63.011 63.200 0.171 0.000 0.786 194 S HN 0.395 nan 8.310 nan 0.000 0.492 195 R N 0.574 121.168 120.500 0.156 0.000 2.105 195 R HA -0.043 4.298 4.340 0.001 0.000 0.239 195 R C 2.057 178.414 176.300 0.094 0.000 1.135 195 R CA 1.061 57.228 56.100 0.112 0.000 0.967 195 R CB -0.533 29.828 30.300 0.101 0.000 0.861 195 R HN 0.248 nan 8.270 nan 0.000 0.442 196 V N -0.502 119.485 119.914 0.122 0.000 2.323 196 V HA -0.047 4.073 4.120 0.001 0.000 0.244 196 V C 0.830 176.893 176.094 -0.052 0.000 1.041 196 V CA 1.342 63.667 62.300 0.041 0.000 1.025 196 V CB -0.252 31.613 31.823 0.069 0.000 0.656 196 V HN 0.264 nan 8.190 nan 0.000 0.451 197 R N 0.344 120.852 120.500 0.012 0.000 2.572 197 R HA 0.275 4.616 4.340 0.001 0.000 0.273 197 R C -3.102 173.370 176.300 0.287 0.000 1.168 197 R CA -1.523 54.541 56.100 -0.061 0.000 1.021 197 R CB 2.072 32.001 30.300 -0.617 0.000 1.249 197 R HN 0.026 nan 8.270 nan 0.000 0.423 198 P HA -0.093 nan 4.420 nan 0.000 0.263 198 P C -0.386 177.152 177.300 0.397 0.000 1.168 198 P CA 0.116 63.373 63.100 0.262 0.000 0.759 198 P CB 0.638 32.444 31.700 0.176 0.000 0.782 199 V N 0.474 120.581 119.914 0.322 0.000 3.001 199 V HA 0.593 4.714 4.120 0.001 0.000 0.314 199 V C -0.349 175.886 176.094 0.235 0.000 1.099 199 V CA -1.150 61.317 62.300 0.278 0.000 0.989 199 V CB 2.544 34.427 31.823 0.100 0.000 1.040 199 V HN 0.189 nan 8.190 nan 0.000 0.434 200 K N 1.832 122.407 120.400 0.292 0.000 2.201 200 K HA 0.791 5.112 4.320 0.001 0.000 0.278 200 K C 0.140 176.866 176.600 0.210 0.000 1.027 200 K CA 0.418 56.854 56.287 0.247 0.000 0.909 200 K CB 1.145 33.830 32.500 0.309 0.000 1.062 200 K HN 1.562 nan 8.250 nan 0.000 0.465 201 G N 1.394 110.277 108.800 0.139 0.000 2.345 201 G HA2 0.029 3.990 3.960 0.001 0.000 0.310 201 G HA3 0.029 3.990 3.960 0.001 0.000 0.310 201 G C -1.227 173.696 174.900 0.039 0.000 1.476 201 G CA -1.173 44.005 45.100 0.129 0.000 0.978 201 G HN 0.377 nan 8.290 nan 0.000 0.656 202 L N 1.641 122.852 121.223 -0.020 0.000 2.540 202 L HA 0.247 4.588 4.340 0.001 0.000 0.276 202 L C -1.356 175.324 176.870 -0.318 0.000 1.212 202 L CA -1.069 53.608 54.840 -0.273 0.000 0.893 202 L CB 0.668 42.416 42.059 -0.517 0.000 1.138 202 L HN 0.350 nan 8.230 nan 0.000 0.491 203 P HA 0.005 nan 4.420 nan 0.000 0.225 203 P C -0.825 176.394 177.300 -0.135 0.000 1.813 203 P CA -0.424 62.596 63.100 -0.134 0.000 1.013 203 P CB -0.318 31.335 31.700 -0.079 0.000 1.961 204 W N 1.395 122.707 121.300 0.020 0.000 2.170 204 W HA 0.045 4.705 4.660 0.000 0.000 0.342 204 W C 1.305 177.831 176.519 0.011 0.000 1.294 204 W CA 0.039 57.385 57.345 0.001 0.000 1.246 204 W CB 0.195 29.642 29.460 -0.021 0.000 1.156 204 W HN 0.245 nan 8.180 nan 0.000 0.572 205 D N 1.433 121.998 120.400 0.274 0.000 2.311 205 D HA 0.104 4.745 4.640 0.001 0.000 0.284 205 D C 1.185 177.570 176.300 0.140 0.000 1.182 205 D CA -0.101 54.003 54.000 0.173 0.000 1.111 205 D CB 0.177 41.060 40.800 0.138 0.000 1.176 205 D HN 0.337 nan 8.370 nan 0.000 0.539 206 I N -2.394 118.228 120.570 0.086 0.000 3.875 206 I HA 0.474 4.644 4.170 0.001 0.000 0.329 206 I C 1.067 177.235 176.117 0.086 0.000 1.295 206 I CA -0.130 61.204 61.300 0.057 0.000 1.129 206 I CB 0.281 38.254 38.000 -0.046 0.000 1.008 206 I HN 0.185 nan 8.210 nan 0.000 0.413 207 G N 1.109 109.924 108.800 0.026 0.000 3.575 207 G HA2 0.483 4.444 3.960 0.001 0.000 0.273 207 G HA3 0.483 4.444 3.960 0.001 0.000 0.273 207 G C 0.775 175.468 174.900 -0.345 0.000 1.053 207 G CA 0.246 45.298 45.100 -0.079 0.000 0.803 207 G HN 0.429 nan 8.290 nan 0.000 0.528 208 A N 0.945 123.403 122.820 -0.603 0.000 3.033 208 A HA 0.666 4.986 4.320 0.001 0.000 0.250 208 A C -0.122 176.405 177.584 -1.761 0.000 1.633 208 A CA -0.159 50.968 52.037 -1.516 0.000 1.290 208 A CB -0.601 17.361 19.000 -1.731 0.000 1.048 208 A HN 0.509 nan 8.150 nan 0.000 0.648 209 I N -0.885 118.871 120.570 -1.356 0.000 2.787 209 I HA 0.531 4.702 4.170 0.001 0.000 0.294 209 I C -1.132 174.498 176.117 -0.811 0.000 1.365 209 I CA -0.019 60.665 61.300 -1.027 0.000 1.029 209 I CB 2.066 39.569 38.000 -0.830 0.000 1.313 209 I HN 0.168 nan 8.210 nan 0.000 0.431 210 S N 2.836 117.965 115.700 -0.951 0.000 2.615 210 S HA 0.663 5.134 4.470 0.001 0.000 0.269 210 S C -1.351 172.440 174.600 -1.349 0.000 1.161 210 S CA -0.625 56.789 58.200 -1.311 0.000 0.817 210 S CB 2.337 64.440 63.200 -1.827 0.000 1.131 210 S HN 0.653 nan 8.310 nan 0.000 0.467 211 T N 1.335 115.192 114.554 -1.161 0.000 2.886 211 T HA 0.860 5.211 4.350 0.001 0.000 0.292 211 T C -0.940 173.531 174.700 -0.380 0.000 1.012 211 T CA -0.482 61.127 62.100 -0.818 0.000 0.982 211 T CB 1.674 69.667 68.868 -1.458 0.000 1.018 211 T HN 0.939 nan 8.240 nan 0.000 0.451 212 A N 2.272 124.857 122.820 -0.392 0.000 2.587 212 A HA 0.823 5.144 4.320 0.001 0.000 0.293 212 A C -0.921 176.172 177.584 -0.819 0.000 1.087 212 A CA -0.956 50.649 52.037 -0.719 0.000 0.692 212 A CB 1.499 19.693 19.000 -1.343 0.000 1.291 212 A HN 0.756 nan 8.150 nan 0.000 0.407 213 R N 0.888 121.008 120.500 -0.635 0.000 2.202 213 R HA 0.412 4.753 4.340 0.001 0.000 0.334 213 R C -1.565 174.417 176.300 -0.530 0.000 1.036 213 R CA -0.147 55.705 56.100 -0.412 0.000 0.878 213 R CB 0.410 30.591 30.300 -0.198 0.000 1.067 213 R HN 0.660 nan 8.270 nan 0.000 0.457 214 W N 2.627 123.810 121.300 -0.194 0.000 2.496 214 W HA 0.544 5.205 4.660 0.002 0.000 0.327 214 W C 0.458 176.820 176.519 -0.262 0.000 1.086 214 W CA -0.743 56.453 57.345 -0.249 0.000 1.222 214 W CB 1.922 31.213 29.460 -0.281 0.000 1.304 214 W HN 0.648 nan 8.180 nan 0.000 0.547 215 G N 0.624 109.380 108.800 -0.074 0.000 2.566 215 G HA2 0.740 4.700 3.960 0.001 0.000 0.311 215 G HA3 0.740 4.700 3.960 0.001 0.000 0.311 215 G C -0.741 173.845 174.900 -0.523 0.000 1.322 215 G CA -0.352 44.619 45.100 -0.215 0.000 0.969 215 G HN 0.850 nan 8.290 nan 0.000 0.490 216 G N -0.645 107.830 108.800 -0.542 0.000 2.341 216 G HA2 0.689 4.649 3.960 0.001 0.000 0.299 216 G HA3 0.689 4.649 3.960 0.001 0.000 0.299 216 G C -0.790 173.971 174.900 -0.231 0.000 1.274 216 G CA 0.184 44.779 45.100 -0.842 0.000 0.853 216 G HN 1.489 nan 8.290 nan 0.000 0.493 217 A N -0.265 122.522 122.820 -0.055 0.000 2.340 217 A HA 0.730 5.051 4.320 0.001 0.000 0.268 217 A C 0.602 178.142 177.584 -0.073 0.000 1.100 217 A CA -0.275 51.779 52.037 0.029 0.000 0.803 217 A CB 0.302 19.283 19.000 -0.031 0.000 1.043 217 A HN 0.655 nan 8.150 nan 0.000 0.488 218 R N 1.511 121.982 120.500 -0.048 0.000 2.438 218 R HA 0.181 4.521 4.340 0.001 0.000 0.287 218 R C 1.055 177.262 176.300 -0.156 0.000 1.077 218 R CA -0.456 55.599 56.100 -0.073 0.000 1.034 218 R CB 0.568 30.838 30.300 -0.050 0.000 0.993 218 R HN 0.816 nan 8.270 nan 0.000 0.459 219 L N 3.159 124.292 121.223 -0.150 0.000 2.013 219 L HA -0.273 4.068 4.340 0.001 0.000 0.212 219 L C 2.725 179.510 176.870 -0.142 0.000 1.073 219 L CA 1.769 56.520 54.840 -0.148 0.000 0.753 219 L CB -0.257 41.739 42.059 -0.105 0.000 0.890 219 L HN 0.700 nan 8.230 nan 0.000 0.432 220 R N -0.079 120.345 120.500 -0.125 0.000 2.113 220 R HA -0.247 4.094 4.340 0.001 0.000 0.244 220 R C 1.752 178.017 176.300 -0.058 0.000 1.142 220 R CA 2.378 58.412 56.100 -0.109 0.000 0.953 220 R CB -0.373 29.872 30.300 -0.091 0.000 0.860 220 R HN 0.431 nan 8.270 nan 0.000 0.438 221 D N -0.130 120.237 120.400 -0.056 0.000 2.144 221 D HA -0.101 4.540 4.640 0.001 0.000 0.200 221 D C 2.000 178.306 176.300 0.009 0.000 0.978 221 D CA 1.135 55.156 54.000 0.035 0.000 0.833 221 D CB -0.126 40.738 40.800 0.106 0.000 0.961 221 D HN 0.135 nan 8.370 nan 0.000 0.470 222 V N 1.003 120.746 119.914 -0.285 0.000 2.407 222 V HA -0.190 3.931 4.120 0.001 0.000 0.248 222 V C 2.566 178.700 176.094 0.067 0.000 1.055 222 V CA 1.095 63.214 62.300 -0.302 0.000 1.049 222 V CB -0.360 31.206 31.823 -0.428 0.000 0.662 222 V HN 0.188 nan 8.190 nan 0.000 0.455 223 L N -0.979 120.272 121.223 0.046 0.000 2.109 223 L HA -0.104 4.236 4.340 0.001 0.000 0.207 223 L C 2.332 179.364 176.870 0.269 0.000 1.086 223 L CA 1.215 56.150 54.840 0.157 0.000 0.760 223 L CB -0.417 41.622 42.059 -0.033 0.000 0.910 223 L HN 0.285 nan 8.230 nan 0.000 0.437 224 L N -0.966 120.368 121.223 0.183 0.000 2.093 224 L HA -0.236 4.105 4.340 0.001 0.000 0.208 224 L C 2.651 179.648 176.870 0.213 0.000 1.085 224 L CA 1.056 56.008 54.840 0.186 0.000 0.755 224 L CB -0.628 41.514 42.059 0.138 0.000 0.904 224 L HN 0.309 nan 8.230 nan 0.000 0.435 225 H N 0.316 119.501 119.070 0.192 0.000 2.389 225 H HA -0.082 4.475 4.556 0.001 0.000 0.299 225 H C 2.064 177.486 175.328 0.156 0.000 1.081 225 H CA 1.290 57.464 56.048 0.211 0.000 1.345 225 H CB 0.118 30.123 29.762 0.406 0.000 1.393 225 H HN 0.251 nan 8.280 nan 0.000 0.520 226 A N -0.787 122.080 122.820 0.079 0.000 2.216 226 A HA 0.202 4.522 4.320 0.001 0.000 0.214 226 A C 2.077 179.592 177.584 -0.115 0.000 1.160 226 A CA 1.154 53.190 52.037 -0.002 0.000 0.725 226 A CB -0.807 18.319 19.000 0.209 0.000 0.784 226 A HN 0.852 nan 8.150 nan 0.000 0.472 227 G N -2.751 106.011 108.800 -0.063 0.000 2.179 227 G HA2 -0.197 3.763 3.960 0.001 0.000 0.220 227 G HA3 -0.197 3.763 3.960 0.001 0.000 0.220 227 G C 0.033 174.839 174.900 -0.157 0.000 0.990 227 G CA -0.106 44.910 45.100 -0.142 0.000 0.646 227 G HN 0.295 nan 8.290 nan 0.000 0.517 228 F N 2.591 122.542 119.950 0.002 0.000 2.450 228 F HA 0.488 5.015 4.527 0.001 0.000 0.339 228 F C -0.613 175.202 175.800 0.024 0.000 1.146 228 F CA -1.209 56.798 58.000 0.012 0.000 1.267 228 F CB 0.538 39.594 39.000 0.093 0.000 1.178 228 F HN -0.047 nan 8.300 nan 0.000 0.585 229 P HA 0.162 nan 4.420 nan 0.000 0.278 229 P C -0.228 177.181 177.300 0.181 0.000 1.266 229 P CA -0.377 62.798 63.100 0.126 0.000 0.807 229 P CB 0.883 32.609 31.700 0.043 0.000 1.094 230 E N -0.591 119.675 120.200 0.111 0.000 2.204 230 E HA -0.126 4.224 4.350 0.001 0.000 0.194 230 E C 0.499 177.186 176.600 0.145 0.000 0.989 230 E CA 1.093 57.548 56.400 0.092 0.000 0.824 230 E CB 0.335 30.065 29.700 0.050 0.000 0.756 230 E HN 0.521 nan 8.360 nan 0.000 0.477 231 E N 0.399 120.683 120.200 0.140 0.000 2.290 231 E HA 0.325 4.675 4.350 0.001 0.000 0.274 231 E C -1.498 175.106 176.600 0.007 0.000 0.889 231 E CA -0.321 56.155 56.400 0.126 0.000 0.760 231 E CB 1.286 31.026 29.700 0.067 0.000 1.206 231 E HN -0.056 nan 8.360 nan 0.000 0.419 232 L N 2.944 124.094 121.223 -0.121 0.000 2.334 232 L HA 0.392 4.733 4.340 0.001 0.000 0.273 232 L C -0.143 176.648 176.870 -0.131 0.000 1.013 232 L CA -1.035 53.577 54.840 -0.380 0.000 0.816 232 L CB 1.838 43.215 42.059 -1.136 0.000 1.278 232 L HN 0.555 nan 8.230 nan 0.000 0.431 233 Q N 1.475 121.252 119.800 -0.039 0.000 2.304 233 Q HA 0.531 4.872 4.340 0.001 0.000 0.260 233 Q C 0.191 176.352 176.000 0.268 0.000 0.965 233 Q CA 1.119 56.982 55.803 0.100 0.000 0.898 233 Q CB 1.123 29.912 28.738 0.086 0.000 1.196 233 Q HN 0.764 nan 8.270 nan 0.000 0.402 234 G N 3.123 112.037 108.800 0.189 0.000 2.545 234 G HA2 -0.152 3.809 3.960 0.001 0.000 0.216 234 G HA3 -0.152 3.809 3.960 0.001 0.000 0.216 234 G C -1.332 173.669 174.900 0.168 0.000 1.314 234 G CA -0.468 44.725 45.100 0.156 0.000 0.906 234 G HN 0.588 nan 8.290 nan 0.000 0.563 235 E N 0.035 120.233 120.200 -0.004 0.000 2.073 235 E HA 0.511 4.861 4.350 0.001 0.000 0.269 235 E C -0.947 175.492 176.600 -0.268 0.000 0.917 235 E CA -0.164 56.191 56.400 -0.076 0.000 0.757 235 E CB 0.853 30.524 29.700 -0.048 0.000 1.111 235 E HN 0.413 nan 8.360 nan 0.000 0.410 236 W N 1.442 122.559 121.300 -0.305 0.000 2.719 236 W HA 0.384 5.047 4.660 0.004 0.000 0.352 236 W C 0.590 176.774 176.519 -0.559 0.000 1.085 236 W CA -0.431 56.728 57.345 -0.310 0.000 1.187 236 W CB 1.194 30.440 29.460 -0.355 0.000 1.417 236 W HN 0.324 nan 8.180 nan 0.000 0.557 237 H N 0.181 119.372 119.070 0.201 0.000 2.821 237 H HA 0.593 5.149 4.556 0.001 0.000 0.373 237 H C -1.205 174.145 175.328 0.038 0.000 1.165 237 H CA -0.912 55.186 56.048 0.082 0.000 1.154 237 H CB 1.993 31.743 29.762 -0.020 0.000 1.765 237 H HN 0.029 nan 8.280 nan 0.000 0.549 238 V N 2.121 122.026 119.914 -0.015 0.000 2.357 238 V HA 0.183 4.304 4.120 0.001 0.000 0.284 238 V C 0.124 175.852 176.094 -0.610 0.000 1.018 238 V CA -0.526 61.617 62.300 -0.262 0.000 0.841 238 V CB 0.846 32.487 31.823 -0.304 0.000 0.991 238 V HN 0.767 nan 8.190 nan 0.000 0.437 239 C N 5.633 124.640 119.300 -0.488 0.000 2.358 239 C HA 0.776 5.237 4.460 0.001 0.000 0.342 239 C C -0.329 174.371 174.990 -0.483 0.000 1.234 239 C CA -0.760 57.978 59.018 -0.466 0.000 1.969 239 C CB 0.162 27.802 27.740 -0.167 0.000 2.346 239 C HN 0.675 nan 8.230 nan 0.000 0.525 240 F N 1.088 121.042 119.950 0.006 0.000 2.540 240 F HA 0.544 5.072 4.527 0.002 0.000 0.317 240 F C 0.278 176.089 175.800 0.019 0.000 1.104 240 F CA -0.789 57.217 58.000 0.009 0.000 0.913 240 F CB 1.036 40.031 39.000 -0.008 0.000 1.170 240 F HN 0.538 nan 8.300 nan 0.000 0.450 241 E N 0.754 121.093 120.200 0.232 0.000 2.238 241 E HA 0.625 4.976 4.350 0.001 0.000 0.267 241 E C -0.212 176.507 176.600 0.199 0.000 0.887 241 E CA -0.977 55.528 56.400 0.175 0.000 0.769 241 E CB 2.539 32.318 29.700 0.133 0.000 1.187 241 E HN 0.803 nan 8.360 nan 0.000 0.416 242 G N 0.994 109.928 108.800 0.225 0.000 2.488 242 G HA2 0.327 4.288 3.960 0.001 0.000 0.318 242 G HA3 0.327 4.288 3.960 0.001 0.000 0.318 242 G C 0.438 175.472 174.900 0.224 0.000 1.188 242 G CA -0.571 44.688 45.100 0.265 0.000 0.944 242 G HN 0.480 nan 8.290 nan 0.000 0.495 243 L N -0.029 121.338 121.223 0.240 0.000 2.492 243 L HA 0.113 4.453 4.340 0.001 0.000 0.223 243 L C 0.566 177.466 176.870 0.050 0.000 1.132 243 L CA 0.099 55.024 54.840 0.142 0.000 0.850 243 L CB -0.225 41.922 42.059 0.147 0.000 0.966 243 L HN 0.539 nan 8.230 nan 0.000 0.454 244 D N 0.799 121.230 120.400 0.052 0.000 2.264 244 D HA 0.426 5.067 4.640 0.001 0.000 0.250 244 D C -0.288 176.049 176.300 0.061 0.000 1.113 244 D CA -0.134 53.841 54.000 -0.041 0.000 0.871 244 D CB 1.941 42.657 40.800 -0.140 0.000 1.167 244 D HN -0.019 nan 8.370 nan 0.000 0.447 245 A N 2.389 125.232 122.820 0.039 0.000 2.475 245 A HA 0.507 4.828 4.320 0.001 0.000 0.301 245 A C -0.588 177.055 177.584 0.099 0.000 1.059 245 A CA -0.935 51.164 52.037 0.103 0.000 0.710 245 A CB 1.410 20.457 19.000 0.079 0.000 1.288 245 A HN 0.683 nan 8.150 nan 0.000 0.408 246 D N 1.766 122.269 120.400 0.172 0.000 2.384 246 D HA 0.342 4.982 4.640 0.001 0.000 0.244 246 D C -1.798 174.548 176.300 0.076 0.000 1.251 246 D CA -1.243 52.848 54.000 0.151 0.000 0.961 246 D CB -0.142 40.783 40.800 0.208 0.000 1.116 246 D HN 0.116 nan 8.370 nan 0.000 0.484 247 P HA -0.070 nan 4.420 nan 0.000 0.215 247 P C 1.479 178.793 177.300 0.023 0.000 1.163 247 P CA 2.249 65.366 63.100 0.029 0.000 0.894 247 P CB -0.209 31.508 31.700 0.029 0.000 0.791 248 G N -1.889 106.926 108.800 0.025 0.000 2.653 248 G HA2 0.101 4.061 3.960 0.001 0.000 0.212 248 G HA3 0.101 4.061 3.960 0.001 0.000 0.212 248 G C 1.121 176.036 174.900 0.025 0.000 1.138 248 G CA 0.664 45.773 45.100 0.016 0.000 0.782 248 G HN 0.521 nan 8.290 nan 0.000 0.535 249 G N -1.709 107.114 108.800 0.040 0.000 2.157 249 G HA2 0.109 4.069 3.960 0.001 0.000 0.248 249 G HA3 0.109 4.069 3.960 0.001 0.000 0.248 249 G C 0.420 175.363 174.900 0.071 0.000 0.979 249 G CA 0.230 45.358 45.100 0.046 0.000 0.650 249 G HN 1.403 nan 8.290 nan 0.000 0.529 250 A N 1.404 124.281 122.820 0.094 0.000 2.320 250 A HA 0.740 5.061 4.320 0.001 0.000 0.287 250 A C -1.272 176.449 177.584 0.227 0.000 1.181 250 A CA -0.933 51.183 52.037 0.132 0.000 0.831 250 A CB 0.844 19.903 19.000 0.098 0.000 1.102 250 A HN 0.246 nan 8.150 nan 0.000 0.513 251 P HA 0.145 nan 4.420 nan 0.000 0.279 251 P C -0.823 176.666 177.300 0.315 0.000 1.252 251 P CA -0.281 62.955 63.100 0.227 0.000 0.811 251 P CB 0.546 32.344 31.700 0.163 0.000 1.035 252 Y N 1.036 121.374 120.300 0.063 0.000 2.511 252 Y HA 0.431 4.982 4.550 0.002 0.000 0.332 252 Y C 0.513 176.435 175.900 0.036 0.000 1.177 252 Y CA 1.287 59.257 58.100 -0.217 0.000 1.422 252 Y CB 0.093 38.288 38.460 -0.441 0.000 1.271 252 Y HN 0.622 nan 8.280 nan 0.000 0.550 253 G N 2.493 110.930 108.800 -0.605 0.000 2.704 253 G HA2 0.787 4.748 3.960 0.001 0.000 0.293 253 G HA3 0.787 4.748 3.960 0.001 0.000 0.293 253 G C -2.105 172.582 174.900 -0.355 0.000 1.421 253 G CA -0.364 44.579 45.100 -0.262 0.000 0.870 253 G HN 1.049 nan 8.290 nan 0.000 0.492 254 A N -0.299 122.473 122.820 -0.081 0.000 2.564 254 A HA 0.982 5.303 4.320 0.001 0.000 0.291 254 A C -0.349 177.241 177.584 0.010 0.000 1.102 254 A CA 0.159 52.193 52.037 -0.004 0.000 0.660 254 A CB 1.356 20.401 19.000 0.074 0.000 1.283 254 A HN 2.331 nan 8.150 nan 0.000 0.430 255 S N -0.703 114.988 115.700 -0.016 0.000 2.579 255 S HA 0.853 5.324 4.470 0.001 0.000 0.272 255 S C -0.669 173.931 174.600 -0.001 0.000 1.141 255 S CA -0.168 57.949 58.200 -0.138 0.000 0.843 255 S CB 1.222 64.342 63.200 -0.133 0.000 1.122 255 S HN 1.983 nan 8.310 nan 0.000 0.468 256 I N -2.413 118.143 120.570 -0.023 0.000 2.934 256 I HA 0.724 4.895 4.170 0.001 0.000 0.306 256 I C -3.200 172.973 176.117 0.092 0.000 1.110 256 I CA -3.190 58.158 61.300 0.081 0.000 1.019 256 I CB 1.983 40.049 38.000 0.110 0.000 1.227 256 I HN 0.311 nan 8.210 nan 0.000 0.434 257 P HA -0.004 nan 4.420 nan 0.000 0.266 257 P C -0.108 177.194 177.300 0.002 0.000 1.195 257 P CA 0.227 63.326 63.100 -0.002 0.000 0.768 257 P CB 0.285 31.990 31.700 0.008 0.000 0.838 258 Y N 3.245 123.464 120.300 -0.135 0.000 2.193 258 Y HA -0.226 4.325 4.550 0.001 0.000 0.285 258 Y C 2.345 178.205 175.900 -0.068 0.000 1.166 258 Y CA 2.592 60.634 58.100 -0.097 0.000 1.181 258 Y CB -0.845 37.577 38.460 -0.063 0.000 0.976 258 Y HN 0.486 nan 8.280 nan 0.000 0.520 259 G N -0.223 108.609 108.800 0.053 0.000 2.422 259 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 259 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 259 G C 1.775 176.637 174.900 -0.063 0.000 1.146 259 G CA 0.840 45.939 45.100 -0.001 0.000 0.769 259 G HN 0.410 nan 8.290 nan 0.000 0.547 260 R N 0.511 120.984 120.500 -0.045 0.000 2.075 260 R HA 0.053 4.393 4.340 0.001 0.000 0.232 260 R C 2.843 179.087 176.300 -0.094 0.000 1.126 260 R CA 1.451 57.527 56.100 -0.040 0.000 0.963 260 R CB -0.397 29.897 30.300 -0.010 0.000 0.858 260 R HN 0.262 nan 8.270 nan 0.000 0.435 261 A N 0.982 123.714 122.820 -0.148 0.000 1.902 261 A HA -0.117 4.204 4.320 0.001 0.000 0.217 261 A C 2.026 179.463 177.584 -0.245 0.000 1.181 261 A CA 1.017 52.941 52.037 -0.189 0.000 0.623 261 A CB -0.339 18.511 19.000 -0.250 0.000 0.818 261 A HN 0.306 nan 8.150 nan 0.000 0.443 262 L N -0.158 120.861 121.223 -0.341 0.000 2.446 262 L HA 0.075 4.416 4.340 0.001 0.000 0.219 262 L C 1.391 178.181 176.870 -0.133 0.000 1.116 262 L CA 0.826 55.499 54.840 -0.279 0.000 0.844 262 L CB -1.018 40.817 42.059 -0.374 0.000 0.970 262 L HN 0.428 nan 8.230 nan 0.000 0.457 263 S N 0.796 116.440 115.700 -0.094 0.000 2.516 263 S HA 0.109 4.580 4.470 0.001 0.000 0.282 263 S C -1.196 173.395 174.600 -0.015 0.000 1.286 263 S CA -1.038 57.144 58.200 -0.030 0.000 1.066 263 S CB 1.136 64.340 63.200 0.006 0.000 0.884 263 S HN -0.016 nan 8.310 nan 0.000 0.491 264 P HA -0.032 nan 4.420 nan 0.000 0.216 264 P C 1.275 178.605 177.300 0.050 0.000 1.150 264 P CA 1.423 64.520 63.100 -0.005 0.000 0.837 264 P CB -0.022 31.673 31.700 -0.009 0.000 0.786 265 A N -0.110 122.764 122.820 0.090 0.000 2.014 265 A HA 0.042 4.363 4.320 0.001 0.000 0.218 265 A C 2.223 180.004 177.584 0.328 0.000 1.163 265 A CA 1.564 53.706 52.037 0.176 0.000 0.652 265 A CB -1.379 17.701 19.000 0.134 0.000 0.808 265 A HN 0.193 nan 8.150 nan 0.000 0.449 266 A N -1.038 121.911 122.820 0.214 0.000 2.168 266 A HA 0.104 4.424 4.320 0.001 0.000 0.215 266 A C 0.673 178.196 177.584 -0.103 0.000 1.152 266 A CA 0.985 53.117 52.037 0.159 0.000 0.716 266 A CB -0.302 18.722 19.000 0.040 0.000 0.794 266 A HN 0.439 nan 8.150 nan 0.000 0.465 267 D N -1.027 119.379 120.400 0.009 0.000 2.811 267 D HA -0.128 4.513 4.640 0.001 0.000 0.231 267 D C -0.282 175.901 176.300 -0.195 0.000 1.157 267 D CA 0.987 54.971 54.000 -0.027 0.000 0.716 267 D CB -1.859 38.944 40.800 0.005 0.000 1.077 267 D HN 0.240 nan 8.370 nan 0.000 0.428 268 V N 1.020 120.819 119.914 -0.193 0.000 2.521 268 V HA 0.146 4.266 4.120 0.001 0.000 0.286 268 V C 1.090 177.067 176.094 -0.194 0.000 1.034 268 V CA 0.090 62.252 62.300 -0.231 0.000 1.045 268 V CB 1.159 32.874 31.823 -0.180 0.000 0.974 268 V HN 0.094 nan 8.190 nan 0.000 0.480 269 L N 5.539 126.605 121.223 -0.261 0.000 2.330 269 L HA 0.580 4.920 4.340 0.001 0.000 0.271 269 L C -0.397 176.291 176.870 -0.303 0.000 1.013 269 L CA -0.778 53.916 54.840 -0.245 0.000 0.816 269 L CB 2.098 43.998 42.059 -0.265 0.000 1.287 269 L HN 0.446 nan 8.230 nan 0.000 0.435 270 L N 2.647 123.720 121.223 -0.250 0.000 2.360 270 L HA 0.433 4.774 4.340 0.001 0.000 0.265 270 L C 0.258 176.990 176.870 -0.229 0.000 1.066 270 L CA -0.371 54.329 54.840 -0.233 0.000 0.929 270 L CB 1.056 43.023 42.059 -0.153 0.000 1.306 270 L HN 0.620 nan 8.230 nan 0.000 0.434 271 A N 1.980 124.616 122.820 -0.305 0.000 2.409 271 A HA 0.378 4.698 4.320 0.001 0.000 0.262 271 A C 0.057 177.505 177.584 -0.227 0.000 1.113 271 A CA -0.133 51.700 52.037 -0.341 0.000 0.790 271 A CB 0.085 18.923 19.000 -0.269 0.000 1.046 271 A HN 0.704 nan 8.150 nan 0.000 0.496 272 Y N -0.423 119.839 120.300 -0.062 0.000 2.527 272 Y HA 0.494 5.045 4.550 0.001 0.000 0.247 272 Y C 0.125 176.018 175.900 -0.011 0.000 1.138 272 Y CA -0.565 57.492 58.100 -0.072 0.000 1.228 272 Y CB -0.031 38.380 38.460 -0.081 0.000 1.252 272 Y HN 0.567 nan 8.280 nan 0.000 0.531 273 E N 1.676 121.860 120.200 -0.028 0.000 2.317 273 E HA 0.556 4.907 4.350 0.001 0.000 0.270 273 E C -1.592 174.986 176.600 -0.037 0.000 0.885 273 E CA -1.033 55.373 56.400 0.009 0.000 0.760 273 E CB 2.855 32.553 29.700 -0.004 0.000 1.227 273 E HN 0.204 nan 8.360 nan 0.000 0.434 274 M N 3.032 122.562 119.600 -0.116 0.000 2.213 274 M HA 0.288 4.769 4.480 0.001 0.000 0.286 274 M C -1.212 174.876 176.300 -0.353 0.000 1.008 274 M CA -0.349 54.741 55.300 -0.351 0.000 0.937 274 M CB 1.101 33.470 32.600 -0.384 0.000 1.600 274 M HN 0.452 nan 8.290 nan 0.000 0.450 275 N N 3.481 121.923 118.700 -0.429 0.000 2.716 275 N HA -0.196 4.545 4.740 0.001 0.000 0.250 275 N C 0.648 176.061 175.510 -0.162 0.000 1.033 275 N CA 1.784 54.663 53.050 -0.285 0.000 0.727 275 N CB -1.258 37.059 38.487 -0.282 0.000 0.950 275 N HN 1.201 nan 8.380 nan 0.000 0.541 276 G N -2.523 106.200 108.800 -0.129 0.000 2.179 276 G HA2 -0.331 3.630 3.960 0.001 0.000 0.260 276 G HA3 -0.331 3.630 3.960 0.001 0.000 0.260 276 G C 0.291 175.168 174.900 -0.037 0.000 0.977 276 G CA 1.356 46.417 45.100 -0.064 0.000 0.641 276 G HN 1.134 nan 8.290 nan 0.000 0.533 277 T N -1.993 112.531 114.554 -0.049 0.000 2.888 277 T HA 0.689 5.040 4.350 0.001 0.000 0.288 277 T C 0.075 174.786 174.700 0.018 0.000 1.063 277 T CA -0.017 62.075 62.100 -0.014 0.000 1.010 277 T CB 2.122 70.973 68.868 -0.029 0.000 1.214 277 T HN 0.816 nan 8.240 nan 0.000 0.533 278 E N 0.870 121.106 120.200 0.060 0.000 2.390 278 E HA 0.288 4.639 4.350 0.001 0.000 0.261 278 E C -0.372 176.306 176.600 0.130 0.000 1.076 278 E CA -0.873 55.608 56.400 0.135 0.000 0.905 278 E CB 0.426 30.252 29.700 0.210 0.000 0.984 278 E HN 0.557 nan 8.360 nan 0.000 0.427 279 L N 3.248 124.583 121.223 0.188 0.000 2.667 279 L HA 0.030 4.370 4.340 0.001 0.000 0.278 279 L C -1.890 175.103 176.870 0.204 0.000 1.217 279 L CA -1.185 53.754 54.840 0.164 0.000 0.935 279 L CB -0.114 42.029 42.059 0.140 0.000 1.193 279 L HN 0.482 nan 8.230 nan 0.000 0.493 280 P HA 0.061 nan 4.420 nan 0.000 0.270 280 P C 0.297 177.682 177.300 0.143 0.000 1.223 280 P CA -0.179 62.978 63.100 0.094 0.000 0.785 280 P CB 0.551 32.340 31.700 0.150 0.000 0.923 281 R N 0.863 121.426 120.500 0.104 0.000 2.083 281 R HA -0.154 4.187 4.340 0.001 0.000 0.237 281 R C 1.395 177.892 176.300 0.328 0.000 1.137 281 R CA 1.569 57.818 56.100 0.247 0.000 0.951 281 R CB -0.591 29.778 30.300 0.116 0.000 0.851 281 R HN 0.528 nan 8.270 nan 0.000 0.434 282 D N -0.408 120.042 120.400 0.082 0.000 2.263 282 D HA -0.111 4.530 4.640 0.001 0.000 0.208 282 D C 1.014 177.073 176.300 -0.401 0.000 0.971 282 D CA 1.119 55.087 54.000 -0.054 0.000 0.867 282 D CB 0.020 40.648 40.800 -0.286 0.000 0.929 282 D HN 0.370 nan 8.370 nan 0.000 0.492 283 H N -1.568 117.446 119.070 -0.093 0.000 2.505 283 H HA 0.371 4.928 4.556 0.001 0.000 0.286 283 H C 1.340 176.373 175.328 -0.493 0.000 1.072 283 H CA 0.647 56.509 56.048 -0.309 0.000 1.141 283 H CB 1.002 30.606 29.762 -0.263 0.000 1.550 283 H HN 0.158 nan 8.280 nan 0.000 0.547 284 G N 1.061 109.473 108.800 -0.647 0.000 2.192 284 G HA2 -0.250 3.711 3.960 0.001 0.000 0.193 284 G HA3 -0.250 3.711 3.960 0.001 0.000 0.193 284 G C 0.095 174.770 174.900 -0.376 0.000 0.999 284 G CA -0.357 44.071 45.100 -1.120 0.000 0.659 284 G HN 0.336 nan 8.290 nan 0.000 0.503 285 F N 2.847 122.735 119.950 -0.103 0.000 2.568 285 F HA 0.278 4.806 4.527 0.001 0.000 0.394 285 F C -0.272 175.547 175.800 0.031 0.000 1.032 285 F CA 0.232 58.226 58.000 -0.011 0.000 1.242 285 F CB 0.946 39.969 39.000 0.040 0.000 0.966 285 F HN 0.027 nan 8.300 nan 0.000 0.560 286 P HA 0.075 nan 4.420 nan 0.000 0.245 286 P C -0.736 176.215 177.300 -0.583 0.000 1.199 286 P CA 0.576 62.866 63.100 -1.350 0.000 0.807 286 P CB 0.655 31.379 31.700 -1.627 0.000 1.002 287 V N 1.270 120.917 119.914 -0.445 0.000 2.733 287 V HA 0.440 4.561 4.120 0.001 0.000 0.306 287 V C -0.062 175.882 176.094 -0.250 0.000 1.084 287 V CA -0.831 61.323 62.300 -0.244 0.000 0.905 287 V CB 2.733 34.483 31.823 -0.121 0.000 1.010 287 V HN 0.104 nan 8.190 nan 0.000 0.424 288 R N 2.714 123.037 120.500 -0.296 0.000 2.854 288 R HA 0.889 5.230 4.340 0.001 0.000 0.271 288 R C -1.598 174.435 176.300 -0.445 0.000 0.994 288 R CA -0.781 55.082 56.100 -0.395 0.000 0.945 288 R CB 2.019 32.016 30.300 -0.504 0.000 1.194 288 R HN 0.331 nan 8.270 nan 0.000 0.476 289 V N 1.869 121.460 119.914 -0.540 0.000 2.649 289 V HA 0.271 4.392 4.120 0.001 0.000 0.292 289 V C -0.219 175.490 176.094 -0.642 0.000 1.055 289 V CA -0.549 61.365 62.300 -0.643 0.000 1.023 289 V CB 1.438 32.678 31.823 -0.971 0.000 0.992 289 V HN 0.516 nan 8.190 nan 0.000 0.480 290 V N 5.185 124.716 119.914 -0.638 0.000 2.407 290 V HA 0.359 4.480 4.120 0.001 0.000 0.291 290 V C -0.268 175.502 176.094 -0.539 0.000 1.018 290 V CA -0.504 61.357 62.300 -0.730 0.000 0.842 290 V CB 1.859 33.060 31.823 -1.037 0.000 0.996 290 V HN 0.615 nan 8.190 nan 0.000 0.426 291 V N 7.407 127.055 119.914 -0.444 0.000 2.275 291 V HA 0.328 4.449 4.120 0.001 0.000 0.272 291 V C -2.297 173.589 176.094 -0.347 0.000 1.028 291 V CA -1.923 60.174 62.300 -0.338 0.000 0.810 291 V CB 1.139 32.847 31.823 -0.192 0.000 1.043 291 V HN 0.699 nan 8.190 nan 0.000 0.453 292 P HA 0.228 nan 4.420 nan 0.000 0.268 292 P C 1.101 178.233 177.300 -0.281 0.000 1.205 292 P CA 1.039 63.787 63.100 -0.587 0.000 0.771 292 P CB 0.750 31.488 31.700 -1.603 0.000 0.858 293 G N 0.427 109.408 108.800 0.301 0.000 2.155 293 G HA2 -0.187 3.774 3.960 0.001 0.000 0.257 293 G HA3 -0.187 3.774 3.960 0.001 0.000 0.257 293 G C -0.024 175.085 174.900 0.349 0.000 0.983 293 G CA 0.081 45.487 45.100 0.511 0.000 0.676 293 G HN 0.545 nan 8.290 nan 0.000 0.528 294 V N -0.178 119.882 119.914 0.242 0.000 2.914 294 V HA 0.684 4.804 4.120 0.001 0.000 0.314 294 V C 0.944 177.109 176.094 0.118 0.000 1.084 294 V CA -0.446 61.946 62.300 0.152 0.000 0.963 294 V CB 1.981 33.833 31.823 0.047 0.000 1.025 294 V HN 0.555 nan 8.190 nan 0.000 0.432 295 V N 3.532 123.501 119.914 0.093 0.000 2.814 295 V HA 0.143 4.264 4.120 0.001 0.000 0.307 295 V C 1.674 177.731 176.094 -0.062 0.000 1.089 295 V CA 1.478 63.791 62.300 0.022 0.000 1.212 295 V CB 1.300 33.136 31.823 0.021 0.000 0.912 295 V HN 1.115 nan 8.190 nan 0.000 0.497 296 G N 4.567 113.308 108.800 -0.098 0.000 2.469 296 G HA2 -0.254 3.707 3.960 0.001 0.000 0.220 296 G HA3 -0.254 3.707 3.960 0.001 0.000 0.220 296 G C 1.582 176.393 174.900 -0.147 0.000 1.136 296 G CA 1.054 46.089 45.100 -0.108 0.000 0.759 296 G HN 1.352 nan 8.290 nan 0.000 0.562 297 A N 0.530 123.218 122.820 -0.221 0.000 2.032 297 A HA -0.090 4.231 4.320 0.001 0.000 0.221 297 A C 2.401 179.967 177.584 -0.031 0.000 1.165 297 A CA 1.642 53.529 52.037 -0.250 0.000 0.645 297 A CB -0.216 18.311 19.000 -0.788 0.000 0.807 297 A HN 0.269 nan 8.150 nan 0.000 0.453 298 R N 0.071 120.546 120.500 -0.043 0.000 2.246 298 R HA 0.133 4.473 4.340 0.001 0.000 0.199 298 R C 0.347 176.627 176.300 -0.034 0.000 0.984 298 R CA 0.318 56.441 56.100 0.038 0.000 1.015 298 R CB -0.944 29.390 30.300 0.057 0.000 0.930 298 R HN 0.343 nan 8.270 nan 0.000 0.475 299 S N 1.836 117.440 115.700 -0.160 0.000 3.919 299 S HA 0.146 4.617 4.470 0.001 0.000 0.245 299 S C 0.102 174.512 174.600 -0.317 0.000 1.344 299 S CA -0.264 57.742 58.200 -0.323 0.000 0.896 299 S CB 0.075 63.030 63.200 -0.408 0.000 1.557 299 S HN -0.101 nan 8.310 nan 0.000 0.468 300 V N 4.326 124.083 119.914 -0.262 0.000 2.493 300 V HA 0.042 4.162 4.120 0.001 0.000 0.292 300 V C 0.759 176.677 176.094 -0.293 0.000 1.016 300 V CA 0.263 62.477 62.300 -0.143 0.000 1.097 300 V CB 0.092 31.926 31.823 0.019 0.000 0.947 300 V HN 0.568 nan 8.190 nan 0.000 0.479 301 K N 4.417 124.604 120.400 -0.355 0.000 2.090 301 K HA 0.289 4.609 4.320 0.001 0.000 0.249 301 K C -0.159 176.263 176.600 -0.297 0.000 0.995 301 K CA -0.569 55.327 56.287 -0.651 0.000 0.914 301 K CB 0.657 32.325 32.500 -1.387 0.000 1.057 301 K HN 0.713 nan 8.250 nan 0.000 0.462 302 W N 0.956 122.208 121.300 -0.080 0.000 5.963 302 W HA -0.211 4.450 4.660 0.001 0.000 0.400 302 W C -0.322 176.212 176.519 0.025 0.000 1.530 302 W CA -0.425 56.896 57.345 -0.040 0.000 1.004 302 W CB -2.057 27.396 29.460 -0.012 0.000 2.706 302 W HN 0.399 nan 8.180 nan 0.000 1.495 303 L N 2.120 123.414 121.223 0.117 0.000 2.584 303 L HA -0.021 4.319 4.340 0.001 0.000 0.272 303 L C 1.876 178.894 176.870 0.247 0.000 1.195 303 L CA 1.283 56.205 54.840 0.136 0.000 0.920 303 L CB 0.370 42.443 42.059 0.023 0.000 1.173 303 L HN 0.247 nan 8.230 nan 0.000 0.489 304 R N 4.017 124.636 120.500 0.199 0.000 2.221 304 R HA 0.273 4.614 4.340 0.001 0.000 0.195 304 R C 0.557 176.911 176.300 0.089 0.000 0.956 304 R CA -0.276 55.910 56.100 0.144 0.000 1.064 304 R CB 0.341 30.718 30.300 0.129 0.000 1.049 304 R HN 0.557 nan 8.270 nan 0.000 0.534 305 R N 0.638 121.213 120.500 0.124 0.000 2.698 305 R HA 0.467 4.807 4.340 0.001 0.000 0.275 305 R C -1.911 174.491 176.300 0.170 0.000 1.001 305 R CA -0.685 55.484 56.100 0.115 0.000 0.896 305 R CB 2.784 33.139 30.300 0.091 0.000 1.218 305 R HN 0.018 nan 8.270 nan 0.000 0.462 306 V N 2.181 122.183 119.914 0.148 0.000 2.577 306 V HA 0.811 4.931 4.120 0.001 0.000 0.303 306 V C -0.804 175.338 176.094 0.080 0.000 1.042 306 V CA -0.627 61.767 62.300 0.156 0.000 0.872 306 V CB 1.477 33.411 31.823 0.186 0.000 0.998 306 V HN 0.920 nan 8.190 nan 0.000 0.423 307 A N 4.118 126.946 122.820 0.012 0.000 2.449 307 A HA 0.903 5.224 4.320 0.001 0.000 0.302 307 A C -1.146 176.430 177.584 -0.013 0.000 1.048 307 A CA -0.597 51.461 52.037 0.035 0.000 0.708 307 A CB 2.060 21.090 19.000 0.050 0.000 1.274 307 A HN 0.626 nan 8.150 nan 0.000 0.410 308 V N 1.453 121.390 119.914 0.038 0.000 2.427 308 V HA 0.742 4.863 4.120 0.001 0.000 0.286 308 V C 0.417 176.657 176.094 0.243 0.000 1.034 308 V CA -0.090 62.242 62.300 0.052 0.000 0.893 308 V CB 1.363 33.058 31.823 -0.214 0.000 0.982 308 V HN 1.007 nan 8.190 nan 0.000 0.452 309 S N 5.277 121.152 115.700 0.291 0.000 2.564 309 S HA 0.603 5.074 4.470 0.001 0.000 0.274 309 S C -2.309 172.317 174.600 0.042 0.000 1.124 309 S CA -1.319 57.004 58.200 0.206 0.000 0.869 309 S CB 2.514 65.757 63.200 0.071 0.000 1.105 309 S HN 0.480 nan 8.310 nan 0.000 0.472 310 P HA 0.163 nan 4.420 nan 0.000 0.233 310 P C -0.429 176.714 177.300 -0.260 0.000 1.167 310 P CA 0.770 63.356 63.100 -0.857 0.000 0.770 310 P CB -0.074 31.062 31.700 -0.940 0.000 0.837 311 D N -0.354 119.980 120.400 -0.109 0.000 2.374 311 D HA 0.215 4.856 4.640 0.001 0.000 0.239 311 D C 0.288 176.432 176.300 -0.260 0.000 0.991 311 D CA -0.697 53.226 54.000 -0.129 0.000 0.960 311 D CB 1.536 42.248 40.800 -0.145 0.000 1.284 311 D HN -0.029 nan 8.370 nan 0.000 0.512 312 E N 0.053 119.898 120.200 -0.591 0.000 2.425 312 E HA 0.065 4.416 4.350 0.001 0.000 0.258 312 E C 0.091 176.551 176.600 -0.233 0.000 1.151 312 E CA 0.059 56.124 56.400 -0.559 0.000 0.958 312 E CB 0.614 30.042 29.700 -0.453 0.000 0.968 312 E HN 0.208 nan 8.360 nan 0.000 0.451 313 S N 2.016 117.618 115.700 -0.163 0.000 2.563 313 S HA -0.006 4.465 4.470 0.001 0.000 0.294 313 S C -1.511 173.037 174.600 -0.086 0.000 1.279 313 S CA -1.167 56.974 58.200 -0.099 0.000 1.069 313 S CB 0.510 63.666 63.200 -0.074 0.000 0.828 313 S HN 0.316 nan 8.310 nan 0.000 0.497 314 P HA 0.035 nan 4.420 nan 0.000 0.245 314 P C 0.414 177.684 177.300 -0.050 0.000 1.212 314 P CA 0.061 63.127 63.100 -0.058 0.000 0.774 314 P CB -0.344 31.331 31.700 -0.043 0.000 0.999 315 S N -0.271 115.412 115.700 -0.029 0.000 2.573 315 S HA -0.088 4.383 4.470 0.001 0.000 0.277 315 S C 1.431 175.982 174.600 -0.081 0.000 1.346 315 S CA 0.199 58.396 58.200 -0.005 0.000 1.034 315 S CB 0.172 63.428 63.200 0.094 0.000 0.879 315 S HN 0.201 nan 8.310 nan 0.000 0.528 316 H N 2.601 121.493 119.070 -0.297 0.000 2.390 316 H HA -0.121 4.435 4.556 0.000 0.000 0.298 316 H C 1.333 176.427 175.328 -0.389 0.000 1.106 316 H CA 2.524 58.286 56.048 -0.477 0.000 1.297 316 H CB -0.122 29.146 29.762 -0.823 0.000 1.375 316 H HN 0.780 nan 8.280 nan 0.000 0.509 317 W N -0.004 121.182 121.300 -0.190 0.000 2.584 317 W HA -0.011 4.651 4.660 0.003 0.000 0.264 317 W C 2.089 178.589 176.519 -0.031 0.000 1.264 317 W CA 0.802 58.081 57.345 -0.111 0.000 1.306 317 W CB -0.259 29.234 29.460 0.055 0.000 1.110 317 W HN 0.415 nan 8.180 nan 0.000 0.606 318 Q N 0.484 120.334 119.800 0.082 0.000 2.123 318 Q HA -0.109 4.232 4.340 0.001 0.000 0.196 318 Q C 2.224 178.210 176.000 -0.023 0.000 0.958 318 Q CA 1.392 57.223 55.803 0.047 0.000 0.841 318 Q CB -0.214 28.520 28.738 -0.007 0.000 0.915 318 Q HN 0.008 nan 8.270 nan 0.000 0.455 319 Q N -0.353 119.379 119.800 -0.113 0.000 2.165 319 Q HA 0.126 4.467 4.340 0.001 0.000 0.197 319 Q C 0.379 176.249 176.000 -0.216 0.000 0.952 319 Q CA 0.780 56.510 55.803 -0.122 0.000 0.848 319 Q CB 0.350 29.015 28.738 -0.120 0.000 0.931 319 Q HN 0.344 nan 8.270 nan 0.000 0.470 320 N N 0.925 119.312 118.700 -0.521 0.000 2.401 320 N HA 0.143 4.883 4.740 0.001 0.000 0.264 320 N C -1.015 173.834 175.510 -1.102 0.000 1.238 320 N CA 0.119 52.558 53.050 -1.018 0.000 0.889 320 N CB 1.116 39.122 38.487 -0.802 0.000 1.196 320 N HN 0.105 nan 8.380 nan 0.000 0.511 321 D N -1.154 118.931 120.400 -0.524 0.000 2.713 321 D HA 0.181 4.822 4.640 0.001 0.000 0.306 321 D C -0.893 175.386 176.300 -0.035 0.000 1.299 321 D CA -0.367 53.466 54.000 -0.278 0.000 0.823 321 D CB 0.400 40.970 40.800 -0.384 0.000 1.353 321 D HN -0.059 nan 8.370 nan 0.000 0.447 322 Y N -0.584 119.840 120.300 0.207 0.000 3.037 322 Y HA -0.226 4.325 4.550 0.001 0.000 0.204 322 Y C 0.113 176.070 175.900 0.094 0.000 1.275 322 Y CA 0.901 59.099 58.100 0.163 0.000 1.066 322 Y CB -1.376 37.187 38.460 0.172 0.000 1.305 322 Y HN 0.127 nan 8.280 nan 0.000 0.499 323 K N -0.405 120.071 120.400 0.127 0.000 2.477 323 K HA 0.788 5.108 4.320 0.001 0.000 0.255 323 K C 0.343 176.761 176.600 -0.303 0.000 0.952 323 K CA -0.597 55.636 56.287 -0.089 0.000 0.826 323 K CB 2.414 34.852 32.500 -0.103 0.000 1.331 323 K HN 0.205 nan 8.250 nan 0.000 0.437 324 G N 1.458 109.971 108.800 -0.479 0.000 2.415 324 G HA2 0.672 4.632 3.960 0.001 0.000 0.327 324 G HA3 0.672 4.632 3.960 0.001 0.000 0.327 324 G C -1.208 173.264 174.900 -0.713 0.000 1.182 324 G CA -0.283 44.569 45.100 -0.414 0.000 0.924 324 G HN 0.280 nan 8.290 nan 0.000 0.470 325 F N 0.080 119.971 119.950 -0.099 0.000 2.618 325 F HA 0.642 5.170 4.527 0.001 0.000 0.332 325 F C 0.853 176.611 175.800 -0.070 0.000 1.061 325 F CA -0.873 57.060 58.000 -0.111 0.000 0.974 325 F CB 2.004 40.890 39.000 -0.189 0.000 1.310 325 F HN 0.431 nan 8.300 nan 0.000 0.491 326 S N 1.241 117.045 115.700 0.173 0.000 2.579 326 S HA 0.162 4.632 4.470 0.001 0.000 0.275 326 S C -1.663 173.024 174.600 0.144 0.000 1.345 326 S CA -1.055 57.212 58.200 0.112 0.000 1.031 326 S CB 0.759 64.010 63.200 0.086 0.000 0.892 326 S HN 0.331 nan 8.310 nan 0.000 0.529 327 P HA -0.039 nan 4.420 nan 0.000 0.221 327 P C 1.467 178.918 177.300 0.253 0.000 1.145 327 P CA 0.902 64.182 63.100 0.300 0.000 0.795 327 P CB -0.433 31.398 31.700 0.219 0.000 0.775 328 C N -3.528 115.847 119.300 0.125 0.000 2.468 328 C HA 0.141 4.602 4.460 0.001 0.000 0.277 328 C C 1.221 176.240 174.990 0.048 0.000 1.400 328 C CA -0.514 58.542 59.018 0.063 0.000 1.770 328 C CB -1.422 26.335 27.740 0.029 0.000 1.905 328 C HN -0.064 nan 8.230 nan 0.000 0.519 329 V N 2.790 122.729 119.914 0.040 0.000 2.715 329 V HA 0.370 4.490 4.120 0.001 0.000 0.299 329 V C -0.118 175.919 176.094 -0.096 0.000 1.054 329 V CA 0.928 63.181 62.300 -0.078 0.000 1.077 329 V CB 0.860 32.569 31.823 -0.191 0.000 0.972 329 V HN 0.546 nan 8.190 nan 0.000 0.484 330 D N 1.482 121.783 120.400 -0.166 0.000 2.636 330 D HA 0.357 4.997 4.640 0.001 0.000 0.275 330 D C 0.274 176.432 176.300 -0.238 0.000 1.130 330 D CA -0.606 53.288 54.000 -0.177 0.000 1.031 330 D CB 1.056 41.853 40.800 -0.006 0.000 1.451 330 D HN 0.389 nan 8.370 nan 0.000 0.505 331 W N 0.027 121.322 121.300 -0.008 0.000 2.364 331 W HA -0.090 4.569 4.660 -0.001 0.000 0.281 331 W C 1.592 178.091 176.519 -0.035 0.000 1.219 331 W CA 1.082 58.415 57.345 -0.021 0.000 1.220 331 W CB 0.038 29.512 29.460 0.023 0.000 1.127 331 W HN 0.472 nan 8.180 nan 0.000 0.556 332 D N -1.562 118.939 120.400 0.169 0.000 2.323 332 D HA -0.094 4.547 4.640 0.001 0.000 0.209 332 D C 1.614 177.924 176.300 0.018 0.000 0.973 332 D CA 1.713 55.768 54.000 0.092 0.000 0.874 332 D CB -1.270 39.574 40.800 0.073 0.000 0.930 332 D HN 0.199 nan 8.370 nan 0.000 0.521 333 T N -2.568 111.959 114.554 -0.045 0.000 2.971 333 T HA 0.146 4.496 4.350 0.001 0.000 0.252 333 T C 0.883 175.462 174.700 -0.201 0.000 1.022 333 T CA -0.208 61.835 62.100 -0.096 0.000 0.980 333 T CB -0.319 68.497 68.868 -0.087 0.000 1.044 333 T HN 0.051 nan 8.240 nan 0.000 0.501 334 V N 3.078 122.796 119.914 -0.327 0.000 2.557 334 V HA 0.254 4.375 4.120 0.001 0.000 0.301 334 V C -0.696 175.115 176.094 -0.472 0.000 1.026 334 V CA 0.314 62.218 62.300 -0.660 0.000 1.137 334 V CB 0.459 31.680 31.823 -1.005 0.000 0.917 334 V HN 0.486 nan 8.190 nan 0.000 0.484 335 D N 5.553 125.668 120.400 -0.475 0.000 2.440 335 D HA 0.258 4.899 4.640 0.001 0.000 0.252 335 D C 0.169 176.425 176.300 -0.073 0.000 1.180 335 D CA -0.321 53.580 54.000 -0.165 0.000 0.894 335 D CB 0.862 41.629 40.800 -0.056 0.000 1.111 335 D HN 0.578 nan 8.370 nan 0.000 0.544 336 Y N 1.983 122.352 120.300 0.114 0.000 2.574 336 Y HA -0.007 4.543 4.550 -0.001 0.000 0.294 336 Y C 2.080 178.085 175.900 0.175 0.000 1.142 336 Y CA 0.643 58.904 58.100 0.269 0.000 1.314 336 Y CB 0.170 38.732 38.460 0.171 0.000 0.991 336 Y HN 0.269 nan 8.280 nan 0.000 0.555 337 R N -0.727 119.905 120.500 0.221 0.000 2.276 337 R HA -0.057 4.284 4.340 0.001 0.000 0.203 337 R C 1.990 178.354 176.300 0.107 0.000 1.017 337 R CA 1.450 57.629 56.100 0.131 0.000 1.010 337 R CB -0.304 30.048 30.300 0.088 0.000 0.900 337 R HN 0.339 nan 8.270 nan 0.000 0.469 338 T N -3.092 111.546 114.554 0.141 0.000 3.100 338 T HA 0.345 4.695 4.350 0.001 0.000 0.253 338 T C 0.561 175.306 174.700 0.075 0.000 1.118 338 T CA 0.097 62.263 62.100 0.110 0.000 1.058 338 T CB 0.486 69.430 68.868 0.127 0.000 0.953 338 T HN 0.097 nan 8.240 nan 0.000 0.515 339 A N 2.387 125.235 122.820 0.046 0.000 2.414 339 A HA 0.774 5.094 4.320 0.001 0.000 0.306 339 A C -2.931 174.614 177.584 -0.064 0.000 1.054 339 A CA -2.109 49.861 52.037 -0.111 0.000 0.724 339 A CB 1.450 20.161 19.000 -0.482 0.000 1.267 339 A HN 0.178 nan 8.150 nan 0.000 0.418 340 P HA 0.402 nan 4.420 nan 0.000 0.278 340 P C 0.030 177.321 177.300 -0.014 0.000 1.238 340 P CA 0.040 63.129 63.100 -0.018 0.000 0.794 340 P CB 1.152 32.847 31.700 -0.007 0.000 0.955 341 A N 3.913 126.747 122.820 0.022 0.000 2.540 341 A HA 0.123 4.444 4.320 0.001 0.000 0.239 341 A C 0.723 178.342 177.584 0.058 0.000 1.061 341 A CA -0.209 51.861 52.037 0.055 0.000 0.758 341 A CB -0.775 18.260 19.000 0.058 0.000 0.991 341 A HN 0.517 nan 8.150 nan 0.000 0.502 342 I N 2.556 123.179 120.570 0.088 0.000 2.598 342 I HA -0.008 4.162 4.170 0.001 0.000 0.284 342 I C 1.108 177.276 176.117 0.085 0.000 1.140 342 I CA 0.119 61.470 61.300 0.085 0.000 1.420 342 I CB 0.447 38.518 38.000 0.118 0.000 1.387 342 I HN 0.767 nan 8.210 nan 0.000 0.553 343 Q N 4.746 124.591 119.800 0.076 0.000 2.345 343 Q HA 0.274 4.615 4.340 0.001 0.000 0.176 343 Q C -0.017 176.039 176.000 0.093 0.000 0.723 343 Q CA -0.048 55.802 55.803 0.078 0.000 0.743 343 Q CB -0.066 28.716 28.738 0.074 0.000 1.260 343 Q HN 0.570 nan 8.270 nan 0.000 0.535 344 E N 1.384 121.638 120.200 0.090 0.000 2.398 344 E HA 0.206 4.556 4.350 0.001 0.000 0.263 344 E C -0.396 176.268 176.600 0.107 0.000 1.046 344 E CA 0.050 56.512 56.400 0.103 0.000 0.908 344 E CB 0.621 30.362 29.700 0.067 0.000 0.963 344 E HN 0.148 nan 8.360 nan 0.000 0.431 345 L N 3.744 125.056 121.223 0.149 0.000 2.344 345 L HA 0.459 4.800 4.340 0.001 0.000 0.272 345 L C -1.930 174.987 176.870 0.077 0.000 1.035 345 L CA -2.067 52.879 54.840 0.177 0.000 0.807 345 L CB 1.244 43.547 42.059 0.406 0.000 1.237 345 L HN 0.416 nan 8.230 nan 0.000 0.442 346 P HA 0.078 nan 4.420 nan 0.000 0.279 346 P C -0.547 176.787 177.300 0.058 0.000 1.276 346 P CA -0.376 62.751 63.100 0.044 0.000 0.801 346 P CB 1.425 33.160 31.700 0.058 0.000 1.127 347 V N 0.871 120.799 119.914 0.023 0.000 2.673 347 V HA 0.052 4.173 4.120 0.001 0.000 0.303 347 V C -0.013 176.164 176.094 0.138 0.000 1.046 347 V CA 1.047 63.373 62.300 0.043 0.000 1.126 347 V CB 0.007 31.832 31.823 0.003 0.000 0.934 347 V HN 0.675 nan 8.190 nan 0.000 0.487 348 Q N 4.755 124.683 119.800 0.214 0.000 2.418 348 Q HA 0.754 5.095 4.340 0.001 0.000 0.282 348 Q C -1.108 175.063 176.000 0.285 0.000 1.044 348 Q CA -0.073 55.896 55.803 0.277 0.000 0.813 348 Q CB 2.544 31.524 28.738 0.404 0.000 1.428 348 Q HN 1.138 nan 8.270 nan 0.000 0.402 349 S N 0.599 116.413 115.700 0.190 0.000 2.567 349 S HA 1.017 5.488 4.470 0.001 0.000 0.270 349 S C -1.536 172.975 174.600 -0.149 0.000 1.152 349 S CA -0.295 57.937 58.200 0.053 0.000 0.835 349 S CB 1.131 64.379 63.200 0.080 0.000 1.115 349 S HN 1.267 nan 8.310 nan 0.000 0.459 350 A N 0.733 123.290 122.820 -0.438 0.000 2.606 350 A HA 0.775 5.096 4.320 0.001 0.000 0.293 350 A C -1.311 176.261 177.584 -0.020 0.000 1.082 350 A CA -0.769 51.071 52.037 -0.328 0.000 0.685 350 A CB 1.409 19.976 19.000 -0.722 0.000 1.284 350 A HN 1.349 nan 8.150 nan 0.000 0.408 351 V N 1.826 121.971 119.914 0.384 0.000 2.406 351 V HA 0.411 4.532 4.120 0.001 0.000 0.272 351 V C 1.352 177.519 176.094 0.121 0.000 1.043 351 V CA 0.691 63.159 62.300 0.280 0.000 0.915 351 V CB 0.885 32.899 31.823 0.318 0.000 0.988 351 V HN 1.202 nan 8.190 nan 0.000 0.466 352 T N 0.750 115.255 114.554 -0.080 0.000 2.990 352 T HA 0.177 4.528 4.350 0.001 0.000 0.249 352 T C 0.409 175.080 174.700 -0.048 0.000 1.039 352 T CA 0.067 62.136 62.100 -0.050 0.000 1.036 352 T CB 0.311 69.117 68.868 -0.103 0.000 0.994 352 T HN 0.563 nan 8.240 nan 0.000 0.489 353 Q N 1.586 121.332 119.800 -0.090 0.000 2.268 353 Q HA 0.453 4.793 4.340 0.001 0.000 0.266 353 Q C -3.184 172.794 176.000 -0.037 0.000 1.006 353 Q CA -2.267 53.500 55.803 -0.061 0.000 0.824 353 Q CB 2.979 31.663 28.738 -0.091 0.000 1.306 353 Q HN 0.079 nan 8.270 nan 0.000 0.424 354 P HA 0.309 nan 4.420 nan 0.000 0.282 354 P C -0.892 176.418 177.300 0.016 0.000 1.287 354 P CA -0.523 62.577 63.100 0.000 0.000 0.792 354 P CB 1.032 32.734 31.700 0.002 0.000 1.163 355 R N -0.144 120.369 120.500 0.021 0.000 2.500 355 R HA 0.432 4.773 4.340 0.001 0.000 0.277 355 R C -2.097 174.220 176.300 0.028 0.000 1.026 355 R CA -1.989 54.133 56.100 0.037 0.000 1.058 355 R CB -0.656 29.666 30.300 0.038 0.000 1.078 355 R HN 0.388 nan 8.270 nan 0.000 0.509 356 P HA -0.036 nan 4.420 nan 0.000 0.265 356 P C 0.647 177.959 177.300 0.020 0.000 1.187 356 P CA 0.913 64.025 63.100 0.020 0.000 0.766 356 P CB 0.397 32.117 31.700 0.034 0.000 0.820 357 G N 1.238 110.045 108.800 0.012 0.000 2.179 357 G HA2 -0.208 3.753 3.960 0.001 0.000 0.260 357 G HA3 -0.208 3.753 3.960 0.001 0.000 0.260 357 G C 0.482 175.388 174.900 0.010 0.000 0.977 357 G CA 0.050 45.157 45.100 0.012 0.000 0.641 357 G HN 0.864 nan 8.290 nan 0.000 0.533 358 A N -0.024 122.801 122.820 0.009 0.000 2.445 358 A HA 0.747 5.067 4.320 0.001 0.000 0.242 358 A C 0.783 178.369 177.584 0.004 0.000 1.075 358 A CA 1.045 53.086 52.037 0.007 0.000 0.777 358 A CB 0.597 19.601 19.000 0.007 0.000 1.013 358 A HN 2.077 nan 8.150 nan 0.000 0.493 359 A N 1.851 124.673 122.820 0.003 0.000 2.258 359 A HA 0.564 4.884 4.320 0.001 0.000 0.316 359 A C 0.030 177.614 177.584 0.001 0.000 1.279 359 A CA -0.151 51.886 52.037 0.001 0.000 0.876 359 A CB 0.057 19.058 19.000 0.002 0.000 1.170 359 A HN 2.045 nan 8.150 nan 0.000 0.520 360 V N 0.855 120.769 119.914 -0.001 0.000 2.630 360 V HA 0.769 4.890 4.120 0.001 0.000 0.305 360 V C -2.681 173.412 176.094 -0.002 0.000 1.046 360 V CA -2.625 59.675 62.300 -0.001 0.000 0.934 360 V CB 1.467 33.289 31.823 -0.002 0.000 1.003 360 V HN 0.674 nan 8.190 nan 0.000 0.451 361 P HA 0.299 nan 4.420 nan 0.000 0.271 361 P C -2.604 174.694 177.300 -0.003 0.000 1.218 361 P CA -1.049 62.050 63.100 -0.002 0.000 0.780 361 P CB -0.006 31.693 31.700 -0.001 0.000 0.901 362 P HA 0.167 nan 4.420 nan 0.000 0.274 362 P C 0.789 178.087 177.300 -0.004 0.000 1.260 362 P CA 0.598 63.695 63.100 -0.004 0.000 0.793 362 P CB 0.184 31.881 31.700 -0.004 0.000 1.048 363 G N 0.217 109.014 108.800 -0.004 0.000 3.035 363 G HA2 -0.144 3.817 3.960 0.001 0.000 0.242 363 G HA3 -0.144 3.817 3.960 0.001 0.000 0.242 363 G C -0.850 174.049 174.900 -0.003 0.000 1.524 363 G CA -0.310 44.788 45.100 -0.003 0.000 1.038 363 G HN 0.601 nan 8.290 nan 0.000 0.561 364 E N 0.022 120.221 120.200 -0.001 0.000 2.195 364 E HA 0.630 4.980 4.350 0.001 0.000 0.271 364 E C -1.261 175.339 176.600 0.001 0.000 0.923 364 E CA -0.763 55.637 56.400 0.000 0.000 0.790 364 E CB 2.537 32.238 29.700 0.001 0.000 1.155 364 E HN 0.504 nan 8.360 nan 0.000 0.402 365 L N 1.907 123.132 121.223 0.003 0.000 2.356 365 L HA 0.369 4.709 4.340 0.001 0.000 0.277 365 L C -0.903 175.974 176.870 0.012 0.000 0.996 365 L CA -0.128 54.715 54.840 0.005 0.000 0.822 365 L CB 2.040 44.102 42.059 0.005 0.000 1.256 365 L HN 0.360 nan 8.230 nan 0.000 0.413 366 T N 4.828 119.386 114.554 0.007 0.000 2.762 366 T HA 0.456 4.806 4.350 0.001 0.000 0.303 366 T C -0.258 174.444 174.700 0.003 0.000 0.977 366 T CA -0.259 61.846 62.100 0.009 0.000 0.961 366 T CB 0.568 69.433 68.868 -0.006 0.000 0.944 366 T HN 0.354 nan 8.240 nan 0.000 0.481 367 V N 5.298 125.238 119.914 0.043 0.000 2.465 367 V HA 0.454 4.574 4.120 0.001 0.000 0.279 367 V C 0.318 176.385 176.094 -0.045 0.000 1.045 367 V CA -0.503 61.832 62.300 0.059 0.000 0.938 367 V CB 1.060 33.000 31.823 0.196 0.000 0.986 367 V HN 0.722 nan 8.190 nan 0.000 0.467 368 K N 2.336 122.550 120.400 -0.309 0.000 2.443 368 K HA 0.881 5.201 4.320 0.001 0.000 0.251 368 K C -0.073 175.780 176.600 -1.246 0.000 0.972 368 K CA -0.624 55.216 56.287 -0.745 0.000 0.833 368 K CB 2.713 34.953 32.500 -0.434 0.000 1.317 368 K HN 0.917 nan 8.250 nan 0.000 0.441 369 G N 0.348 108.024 108.800 -1.873 0.000 2.428 369 G HA2 0.403 4.364 3.960 0.001 0.000 0.304 369 G HA3 0.403 4.364 3.960 0.001 0.000 0.304 369 G C -2.196 172.028 174.900 -1.127 0.000 1.303 369 G CA -0.705 43.537 45.100 -1.429 0.000 0.825 369 G HN 0.533 nan 8.290 nan 0.000 0.484 370 Y N -1.659 118.421 120.300 -0.366 0.000 2.602 370 Y HA 0.920 5.470 4.550 0.001 0.000 0.342 370 Y C -0.120 175.998 175.900 0.362 0.000 1.029 370 Y CA -1.544 56.462 58.100 -0.157 0.000 1.080 370 Y CB 1.770 40.002 38.460 -0.379 0.000 1.284 370 Y HN 1.350 nan 8.280 nan 0.000 0.485 371 A N 1.176 124.367 122.820 0.620 0.000 2.574 371 A HA 0.720 5.041 4.320 0.001 0.000 0.297 371 A C -2.290 175.680 177.584 0.645 0.000 1.062 371 A CA -0.552 51.807 52.037 0.537 0.000 0.686 371 A CB 1.159 20.351 19.000 0.320 0.000 1.285 371 A HN 1.082 nan 8.150 nan 0.000 0.403 372 W N 0.791 122.289 121.300 0.329 0.000 3.153 372 W HA 0.646 5.306 4.660 0.001 0.000 0.316 372 W C -1.008 175.614 176.519 0.173 0.000 1.255 372 W CA 0.175 57.681 57.345 0.268 0.000 1.192 372 W CB 1.575 31.213 29.460 0.296 0.000 1.400 372 W HN 1.090 nan 8.180 nan 0.000 0.568 373 S N 1.655 116.902 115.700 -0.755 0.000 2.595 373 S HA 0.769 5.240 4.470 0.001 0.000 0.281 373 S C -0.200 173.457 174.600 -1.571 0.000 1.117 373 S CA -0.074 57.631 58.200 -0.826 0.000 0.873 373 S CB 1.064 64.034 63.200 -0.384 0.000 1.108 373 S HN 1.012 nan 8.310 nan 0.000 0.477 374 G N 0.316 108.509 108.800 -1.013 0.000 2.588 374 G HA2 0.477 4.438 3.960 0.001 0.000 0.281 374 G HA3 0.477 4.438 3.960 0.001 0.000 0.281 374 G C 1.029 175.771 174.900 -0.264 0.000 1.236 374 G CA 0.076 44.783 45.100 -0.654 0.000 0.969 374 G HN 1.883 nan 8.290 nan 0.000 0.504 375 G N -1.943 106.862 108.800 0.008 0.000 2.168 375 G HA2 0.191 4.152 3.960 0.001 0.000 0.257 375 G HA3 0.191 4.152 3.960 0.001 0.000 0.257 375 G C 1.473 176.417 174.900 0.074 0.000 0.997 375 G CA 1.146 46.306 45.100 0.101 0.000 0.708 375 G HN 2.564 nan 8.290 nan 0.000 0.520 376 G N -1.443 107.362 108.800 0.008 0.000 2.148 376 G HA2 -0.296 3.664 3.960 0.001 0.000 0.254 376 G HA3 -0.296 3.664 3.960 0.001 0.000 0.254 376 G C 0.378 175.060 174.900 -0.364 0.000 0.981 376 G CA 0.867 45.690 45.100 -0.462 0.000 0.670 376 G HN 1.030 nan 8.290 nan 0.000 0.528 377 R N 1.014 121.352 120.500 -0.270 0.000 2.248 377 R HA 0.344 4.685 4.340 0.001 0.000 0.328 377 R C 0.725 176.876 176.300 -0.248 0.000 1.067 377 R CA -0.227 55.730 56.100 -0.239 0.000 0.924 377 R CB 0.711 30.888 30.300 -0.206 0.000 1.013 377 R HN 0.624 nan 8.270 nan 0.000 0.454 378 E N 2.586 122.664 120.200 -0.202 0.000 2.415 378 E HA 0.005 4.356 4.350 0.001 0.000 0.262 378 E C -0.699 175.816 176.600 -0.141 0.000 1.038 378 E CA -0.376 55.934 56.400 -0.150 0.000 0.921 378 E CB 0.863 30.485 29.700 -0.130 0.000 0.950 378 E HN 0.184 nan 8.360 nan 0.000 0.438 379 V N 5.541 125.409 119.914 -0.077 0.000 2.455 379 V HA 0.003 4.124 4.120 0.001 0.000 0.273 379 V C 1.108 177.150 176.094 -0.087 0.000 1.045 379 V CA 0.098 62.358 62.300 -0.066 0.000 0.976 379 V CB 0.964 32.802 31.823 0.025 0.000 0.993 379 V HN 0.715 nan 8.190 nan 0.000 0.475 380 V N 2.651 122.475 119.914 -0.149 0.000 3.644 380 V HA 0.460 4.581 4.120 0.001 0.000 0.267 380 V C 0.683 176.705 176.094 -0.120 0.000 1.277 380 V CA 0.363 62.570 62.300 -0.154 0.000 1.096 380 V CB -0.234 31.434 31.823 -0.258 0.000 0.828 380 V HN 0.789 nan 8.190 nan 0.000 0.446 381 R N -0.738 119.687 120.500 -0.126 0.000 2.664 381 R HA 0.652 4.993 4.340 0.001 0.000 0.260 381 R C -2.388 173.808 176.300 -0.173 0.000 1.062 381 R CA -0.407 55.618 56.100 -0.125 0.000 0.902 381 R CB 2.639 32.869 30.300 -0.116 0.000 1.258 381 R HN 0.070 nan 8.270 nan 0.000 0.465 382 V N 3.266 123.047 119.914 -0.222 0.000 2.531 382 V HA 0.380 4.501 4.120 0.001 0.000 0.301 382 V C -0.964 174.907 176.094 -0.372 0.000 1.034 382 V CA -0.810 61.262 62.300 -0.380 0.000 0.865 382 V CB 1.968 33.410 31.823 -0.634 0.000 0.995 382 V HN 0.682 nan 8.190 nan 0.000 0.424 383 D N 3.226 123.399 120.400 -0.379 0.000 2.168 383 D HA 0.630 5.270 4.640 0.001 0.000 0.246 383 D C -0.699 175.524 176.300 -0.127 0.000 1.050 383 D CA -0.113 53.740 54.000 -0.245 0.000 0.857 383 D CB 2.584 43.136 40.800 -0.414 0.000 1.169 383 D HN 0.255 nan 8.370 nan 0.000 0.453 384 V N 1.106 121.043 119.914 0.038 0.000 2.638 384 V HA 0.448 4.569 4.120 0.001 0.000 0.306 384 V C -0.070 176.014 176.094 -0.016 0.000 1.052 384 V CA -0.661 61.636 62.300 -0.005 0.000 0.885 384 V CB 2.011 33.758 31.823 -0.127 0.000 0.999 384 V HN 0.505 nan 8.190 nan 0.000 0.424 385 S N 3.396 118.927 115.700 -0.281 0.000 2.532 385 S HA 0.709 5.180 4.470 0.001 0.000 0.301 385 S C 0.199 174.599 174.600 -0.333 0.000 1.083 385 S CA -0.614 57.232 58.200 -0.590 0.000 1.025 385 S CB 1.536 63.901 63.200 -1.391 0.000 1.056 385 S HN 0.629 nan 8.310 nan 0.000 0.494 386 L N 2.275 123.338 121.223 -0.266 0.000 2.766 386 L HA 0.323 4.664 4.340 0.001 0.000 0.242 386 L C 0.311 177.081 176.870 -0.167 0.000 1.136 386 L CA 0.058 54.800 54.840 -0.163 0.000 0.933 386 L CB 0.144 42.140 42.059 -0.106 0.000 1.241 386 L HN 0.672 nan 8.230 nan 0.000 0.522 387 D N -0.624 119.634 120.400 -0.235 0.000 2.670 387 D HA 0.201 4.842 4.640 0.001 0.000 0.255 387 D C 1.171 177.362 176.300 -0.183 0.000 1.286 387 D CA 0.062 53.953 54.000 -0.183 0.000 0.830 387 D CB 0.437 41.137 40.800 -0.166 0.000 1.065 387 D HN 0.114 nan 8.370 nan 0.000 0.486 388 G N -0.460 108.229 108.800 -0.185 0.000 2.148 388 G HA2 -0.079 3.882 3.960 0.001 0.000 0.254 388 G HA3 -0.079 3.882 3.960 0.001 0.000 0.254 388 G C 1.086 175.922 174.900 -0.107 0.000 0.981 388 G CA 0.229 45.268 45.100 -0.102 0.000 0.670 388 G HN 1.488 nan 8.290 nan 0.000 0.528 389 G N -1.510 107.050 108.800 -0.401 0.000 2.148 389 G HA2 -0.193 3.768 3.960 0.001 0.000 0.203 389 G HA3 -0.193 3.768 3.960 0.001 0.000 0.203 389 G C 0.930 175.637 174.900 -0.323 0.000 0.993 389 G CA 1.028 45.824 45.100 -0.508 0.000 0.661 389 G HN 0.835 nan 8.290 nan 0.000 0.518 390 R N 0.022 120.316 120.500 -0.343 0.000 2.066 390 R HA 0.179 4.519 4.340 0.001 0.000 0.224 390 R C 1.419 177.574 176.300 -0.241 0.000 1.122 390 R CA 1.626 57.627 56.100 -0.164 0.000 0.974 390 R CB -0.062 30.172 30.300 -0.110 0.000 0.871 390 R HN 0.597 nan 8.270 nan 0.000 0.435 391 T N -2.260 112.022 114.554 -0.452 0.000 2.908 391 T HA 0.519 4.870 4.350 0.001 0.000 0.290 391 T C -1.101 173.221 174.700 -0.630 0.000 1.034 391 T CA -0.852 61.044 62.100 -0.339 0.000 1.010 391 T CB 1.704 70.470 68.868 -0.170 0.000 1.068 391 T HN 0.137 nan 8.240 nan 0.000 0.481 392 W N 0.431 121.674 121.300 -0.094 0.000 2.950 392 W HA 0.717 5.378 4.660 0.001 0.000 0.340 392 W C -0.266 176.191 176.519 -0.103 0.000 1.139 392 W CA -0.899 56.369 57.345 -0.128 0.000 1.188 392 W CB 2.213 31.577 29.460 -0.161 0.000 1.426 392 W HN 0.656 nan 8.180 nan 0.000 0.531 393 K N 0.591 121.073 120.400 0.136 0.000 2.444 393 K HA 0.717 5.037 4.320 0.001 0.000 0.252 393 K C -1.351 175.264 176.600 0.026 0.000 0.993 393 K CA -1.115 55.206 56.287 0.055 0.000 0.847 393 K CB 2.472 34.981 32.500 0.015 0.000 1.340 393 K HN 0.148 nan 8.250 nan 0.000 0.446 394 V N 1.938 121.849 119.914 -0.004 0.000 2.407 394 V HA 0.415 4.535 4.120 0.001 0.000 0.278 394 V C 0.076 176.150 176.094 -0.033 0.000 1.037 394 V CA -0.694 61.582 62.300 -0.041 0.000 0.900 394 V CB 1.021 32.825 31.823 -0.033 0.000 0.983 394 V HN 0.904 nan 8.190 nan 0.000 0.459 395 A N 5.294 128.072 122.820 -0.071 0.000 2.287 395 A HA 0.621 4.942 4.320 0.001 0.000 0.273 395 A C 0.323 177.938 177.584 0.051 0.000 1.091 395 A CA -0.540 51.504 52.037 0.010 0.000 0.817 395 A CB 0.384 19.369 19.000 -0.026 0.000 1.069 395 A HN 0.838 nan 8.150 nan 0.000 0.492 396 R N 0.847 121.414 120.500 0.112 0.000 2.308 396 R HA 0.461 4.802 4.340 0.001 0.000 0.305 396 R C -1.176 175.202 176.300 0.131 0.000 1.053 396 R CA -0.265 55.889 56.100 0.090 0.000 0.957 396 R CB 0.173 30.515 30.300 0.070 0.000 1.022 396 R HN 0.672 nan 8.270 nan 0.000 0.461 397 L N 5.576 126.854 121.223 0.091 0.000 2.276 397 L HA 0.342 4.682 4.340 0.001 0.000 0.286 397 L C -0.173 176.738 176.870 0.068 0.000 1.061 397 L CA -0.610 54.294 54.840 0.107 0.000 0.807 397 L CB 1.463 43.566 42.059 0.072 0.000 1.177 397 L HN 0.583 nan 8.230 nan 0.000 0.429 398 M N 1.916 121.557 119.600 0.070 0.000 2.528 398 M HA 0.787 5.268 4.480 0.001 0.000 0.318 398 M C 0.308 176.613 176.300 0.009 0.000 1.195 398 M CA -0.066 55.245 55.300 0.019 0.000 1.000 398 M CB 2.059 34.660 32.600 0.001 0.000 1.615 398 M HN 0.704 nan 8.290 nan 0.000 0.469 399 G N 0.892 109.648 108.800 -0.074 0.000 2.371 399 G HA2 0.094 4.055 3.960 0.001 0.000 0.663 399 G HA3 0.094 4.055 3.960 0.001 0.000 0.663 399 G C -2.199 172.625 174.900 -0.127 0.000 1.311 399 G CA -1.097 43.903 45.100 -0.167 0.000 0.985 399 G HN 0.596 nan 8.290 nan 0.000 0.566 400 D N 0.541 120.852 120.400 -0.148 0.000 2.481 400 D HA 0.419 5.059 4.640 0.001 0.000 0.244 400 D C 0.125 176.400 176.300 -0.041 0.000 1.057 400 D CA -0.553 53.395 54.000 -0.086 0.000 0.848 400 D CB 1.905 42.647 40.800 -0.098 0.000 1.388 400 D HN 0.502 nan 8.370 nan 0.000 0.475 401 K N 0.600 120.984 120.400 -0.027 0.000 2.469 401 K HA 0.398 4.719 4.320 0.001 0.000 0.274 401 K C -0.072 176.518 176.600 -0.017 0.000 0.983 401 K CA -0.059 56.216 56.287 -0.020 0.000 0.974 401 K CB 0.721 33.205 32.500 -0.026 0.000 0.913 401 K HN 0.446 nan 8.250 nan 0.000 0.493 402 A N 3.667 126.471 122.820 -0.027 0.000 2.322 402 A HA 0.599 4.919 4.320 0.001 0.000 0.327 402 A C -2.388 175.152 177.584 -0.073 0.000 1.134 402 A CA -1.648 50.365 52.037 -0.041 0.000 0.831 402 A CB 0.429 19.391 19.000 -0.063 0.000 1.288 402 A HN 0.437 nan 8.150 nan 0.000 0.472 403 P HA 0.253 nan 4.420 nan 0.000 0.270 403 P C -2.580 174.641 177.300 -0.132 0.000 1.223 403 P CA -0.790 62.263 63.100 -0.079 0.000 0.785 403 P CB -0.406 31.264 31.700 -0.050 0.000 0.923 404 P HA 0.026 nan 4.420 nan 0.000 0.268 404 P C 0.871 178.075 177.300 -0.160 0.000 1.204 404 P CA 0.842 63.870 63.100 -0.120 0.000 0.768 404 P CB 0.146 31.800 31.700 -0.075 0.000 0.842 405 G N 3.353 112.029 108.800 -0.207 0.000 2.184 405 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 405 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 405 G C 0.562 175.156 174.900 -0.509 0.000 0.975 405 G CA 0.040 44.992 45.100 -0.247 0.000 0.642 405 G HN 0.612 nan 8.290 nan 0.000 0.536 406 R N -0.379 119.735 120.500 -0.644 0.000 2.668 406 R HA 0.534 4.874 4.340 0.001 0.000 0.435 406 R C 0.734 176.314 176.300 -1.201 0.000 1.059 406 R CA 0.264 55.603 56.100 -1.269 0.000 1.073 406 R CB 0.902 30.812 30.300 -0.651 0.000 1.401 406 R HN 0.499 nan 8.270 nan 0.000 0.590 407 A N 0.626 123.004 122.820 -0.736 0.000 2.915 407 A HA 0.104 4.425 4.320 0.001 0.000 0.292 407 A C 0.093 177.587 177.584 -0.151 0.000 1.632 407 A CA -0.511 51.323 52.037 -0.337 0.000 1.337 407 A CB -0.613 18.273 19.000 -0.189 0.000 1.111 407 A HN 0.631 nan 8.150 nan 0.000 0.569 408 W N 2.147 123.546 121.300 0.166 0.000 2.770 408 W HA 0.332 4.993 4.660 0.001 0.000 0.256 408 W C 1.129 177.890 176.519 0.404 0.000 1.291 408 W CA 0.309 57.807 57.345 0.254 0.000 1.396 408 W CB 0.329 29.898 29.460 0.180 0.000 1.114 408 W HN 0.657 nan 8.180 nan 0.000 0.637 409 A N 0.641 123.776 122.820 0.525 0.000 2.325 409 A HA 0.544 4.865 4.320 0.001 0.000 0.333 409 A C -0.620 177.352 177.584 0.648 0.000 1.155 409 A CA -0.868 51.425 52.037 0.428 0.000 0.814 409 A CB 0.176 19.403 19.000 0.378 0.000 1.206 409 A HN 0.192 nan 8.150 nan 0.000 0.482 410 W N 0.730 122.254 121.300 0.374 0.000 2.079 410 W HA 0.545 5.206 4.660 0.001 0.000 0.354 410 W C -0.004 176.750 176.519 0.391 0.000 1.302 410 W CA -1.188 56.404 57.345 0.412 0.000 1.281 410 W CB -0.434 29.138 29.460 0.187 0.000 1.165 410 W HN 0.888 nan 8.180 nan 0.000 0.603 411 A N 3.070 126.218 122.820 0.547 0.000 2.287 411 A HA 0.662 4.983 4.320 0.001 0.000 0.317 411 A C -0.763 176.926 177.584 0.175 0.000 1.220 411 A CA -0.934 51.305 52.037 0.336 0.000 0.835 411 A CB 0.179 19.343 19.000 0.274 0.000 1.180 411 A HN 0.692 nan 8.150 nan 0.000 0.500 412 L N 3.748 124.985 121.223 0.022 0.000 2.350 412 L HA 0.514 4.855 4.340 0.001 0.000 0.275 412 L C -0.041 176.847 176.870 0.030 0.000 1.099 412 L CA -0.482 54.267 54.840 -0.150 0.000 0.808 412 L CB 0.765 42.682 42.059 -0.237 0.000 1.149 412 L HN 0.868 nan 8.230 nan 0.000 0.442 413 W N 3.012 124.271 121.300 -0.068 0.000 2.962 413 W HA 0.733 5.394 4.660 0.001 0.000 0.341 413 W C -1.104 175.389 176.519 -0.043 0.000 1.155 413 W CA -0.829 56.490 57.345 -0.043 0.000 1.165 413 W CB 1.558 30.999 29.460 -0.033 0.000 1.435 413 W HN 0.668 nan 8.180 nan 0.000 0.546 414 E N 1.231 121.610 120.200 0.298 0.000 2.392 414 E HA 0.691 5.042 4.350 0.001 0.000 0.279 414 E C -2.501 174.261 176.600 0.270 0.000 0.964 414 E CA -1.078 55.431 56.400 0.182 0.000 0.777 414 E CB 2.690 32.395 29.700 0.009 0.000 1.249 414 E HN 0.391 nan 8.360 nan 0.000 0.449 415 L N 1.326 122.687 121.223 0.229 0.000 2.541 415 L HA 0.409 4.750 4.340 0.001 0.000 0.266 415 L C -1.444 175.484 176.870 0.096 0.000 0.966 415 L CA 0.108 55.043 54.840 0.159 0.000 0.871 415 L CB 2.301 44.465 42.059 0.175 0.000 1.232 415 L HN 0.719 nan 8.230 nan 0.000 0.408 416 T N 4.053 118.641 114.554 0.058 0.000 2.771 416 T HA 0.643 4.994 4.350 0.001 0.000 0.291 416 T C -0.688 174.028 174.700 0.027 0.000 0.954 416 T CA -0.114 62.007 62.100 0.035 0.000 1.045 416 T CB 1.276 70.157 68.868 0.022 0.000 0.917 416 T HN 0.423 nan 8.240 nan 0.000 0.484 417 V N 5.961 125.887 119.914 0.021 0.000 2.962 417 V HA 0.626 4.747 4.120 0.001 0.000 0.313 417 V C -2.384 173.712 176.094 0.003 0.000 1.099 417 V CA -2.582 59.724 62.300 0.011 0.000 0.971 417 V CB 2.784 34.614 31.823 0.010 0.000 1.028 417 V HN 0.659 nan 8.190 nan 0.000 0.430 418 P HA 0.309 nan 4.420 nan 0.000 0.281 418 P C -1.146 176.149 177.300 -0.010 0.000 1.252 418 P CA 0.042 63.139 63.100 -0.005 0.000 0.778 418 P CB 1.293 32.989 31.700 -0.007 0.000 0.895 419 V N 0.448 120.357 119.914 -0.009 0.000 2.531 419 V HA 0.506 4.626 4.120 0.001 0.000 0.301 419 V C -0.296 175.792 176.094 -0.010 0.000 1.034 419 V CA -0.908 61.385 62.300 -0.012 0.000 0.865 419 V CB 2.178 33.995 31.823 -0.010 0.000 0.995 419 V HN 0.296 nan 8.190 nan 0.000 0.424 420 E N 3.122 123.315 120.200 -0.013 0.000 2.249 420 E HA 0.606 4.956 4.350 0.001 0.000 0.280 420 E C 0.490 177.084 176.600 -0.010 0.000 1.016 420 E CA -0.321 56.073 56.400 -0.011 0.000 0.830 420 E CB 1.890 31.583 29.700 -0.012 0.000 1.081 420 E HN 1.128 nan 8.360 nan 0.000 0.395 421 A N 1.434 124.250 122.820 -0.008 0.000 2.565 421 A HA 0.355 4.676 4.320 0.001 0.000 0.237 421 A C 1.323 178.903 177.584 -0.007 0.000 1.053 421 A CA 0.896 52.929 52.037 -0.007 0.000 0.755 421 A CB -0.499 18.497 19.000 -0.005 0.000 0.980 421 A HN 0.896 nan 8.150 nan 0.000 0.506 422 G N 1.647 110.443 108.800 -0.007 0.000 2.162 422 G HA2 -0.163 3.797 3.960 0.001 0.000 0.260 422 G HA3 -0.163 3.797 3.960 0.001 0.000 0.260 422 G C 0.503 175.398 174.900 -0.009 0.000 0.976 422 G CA 1.266 46.362 45.100 -0.007 0.000 0.655 422 G HN 2.176 nan 8.290 nan 0.000 0.533 423 T N -2.146 112.402 114.554 -0.011 0.000 2.927 423 T HA 0.718 5.069 4.350 0.001 0.000 0.281 423 T C -0.471 174.220 174.700 -0.015 0.000 0.998 423 T CA -0.671 61.420 62.100 -0.014 0.000 1.019 423 T CB 2.628 71.486 68.868 -0.018 0.000 1.061 423 T HN 0.081 nan 8.240 nan 0.000 0.518 424 E N 1.176 121.365 120.200 -0.018 0.000 2.187 424 E HA 0.494 4.845 4.350 0.001 0.000 0.268 424 E C -0.842 175.743 176.600 -0.026 0.000 0.896 424 E CA -0.540 55.849 56.400 -0.018 0.000 0.766 424 E CB 2.070 31.761 29.700 -0.016 0.000 1.142 424 E HN 0.594 nan 8.360 nan 0.000 0.408 425 L N 1.541 122.747 121.223 -0.028 0.000 2.346 425 L HA 0.434 4.774 4.340 0.001 0.000 0.274 425 L C 0.216 177.061 176.870 -0.041 0.000 1.007 425 L CA -0.696 54.121 54.840 -0.039 0.000 0.818 425 L CB 1.902 43.939 42.059 -0.037 0.000 1.284 425 L HN 0.411 nan 8.230 nan 0.000 0.424 426 E N 3.632 123.798 120.200 -0.057 0.000 2.101 426 E HA 0.399 4.749 4.350 0.001 0.000 0.260 426 E C -0.996 175.555 176.600 -0.081 0.000 0.897 426 E CA -0.515 55.851 56.400 -0.056 0.000 0.744 426 E CB 0.924 30.598 29.700 -0.044 0.000 1.140 426 E HN 0.470 nan 8.360 nan 0.000 0.419 427 I N 4.579 125.110 120.570 -0.065 0.000 2.416 427 I HA 0.211 4.381 4.170 0.001 0.000 0.288 427 I C -0.391 175.693 176.117 -0.054 0.000 1.051 427 I CA -0.620 60.643 61.300 -0.061 0.000 1.375 427 I CB 1.046 39.038 38.000 -0.014 0.000 1.407 427 I HN 0.229 nan 8.210 nan 0.000 0.516 428 V N 5.524 125.392 119.914 -0.077 0.000 2.789 428 V HA 0.496 4.616 4.120 0.001 0.000 0.311 428 V C -0.272 175.841 176.094 0.032 0.000 1.073 428 V CA -0.699 61.597 62.300 -0.006 0.000 0.921 428 V CB 1.939 33.746 31.823 -0.027 0.000 1.009 428 V HN 0.989 nan 8.190 nan 0.000 0.426 429 C N 2.950 122.292 119.300 0.070 0.000 2.712 429 C HA 0.999 5.460 4.460 0.001 0.000 0.308 429 C C -0.824 174.082 174.990 -0.139 0.000 1.201 429 C CA -0.909 58.063 59.018 -0.076 0.000 1.554 429 C CB 1.283 28.925 27.740 -0.162 0.000 2.117 429 C HN 1.104 nan 8.230 nan 0.000 0.480 430 K N 2.364 122.567 120.400 -0.328 0.000 2.523 430 K HA 0.843 5.164 4.320 0.001 0.000 0.257 430 K C -1.040 175.374 176.600 -0.310 0.000 0.932 430 K CA -0.328 55.759 56.287 -0.333 0.000 0.812 430 K CB 1.976 34.068 32.500 -0.680 0.000 1.326 430 K HN 1.189 nan 8.250 nan 0.000 0.433 431 A N 1.968 124.688 122.820 -0.167 0.000 2.330 431 A HA 0.774 5.094 4.320 0.001 0.000 0.329 431 A C -1.017 176.502 177.584 -0.109 0.000 1.135 431 A CA -0.842 51.107 52.037 -0.147 0.000 0.817 431 A CB 1.689 20.653 19.000 -0.060 0.000 1.269 431 A HN 0.421 nan 8.150 nan 0.000 0.469 432 V N 2.135 121.974 119.914 -0.126 0.000 2.638 432 V HA 0.431 4.552 4.120 0.001 0.000 0.306 432 V C -0.854 175.136 176.094 -0.174 0.000 1.052 432 V CA -0.636 61.586 62.300 -0.129 0.000 0.885 432 V CB 1.801 33.544 31.823 -0.132 0.000 0.999 432 V HN 1.121 nan 8.190 nan 0.000 0.424 433 D N 2.385 122.673 120.400 -0.187 0.000 2.487 433 D HA 0.261 4.901 4.640 0.001 0.000 0.262 433 D C 1.246 177.343 176.300 -0.338 0.000 1.130 433 D CA 0.032 53.898 54.000 -0.222 0.000 1.038 433 D CB 1.190 41.886 40.800 -0.173 0.000 1.142 433 D HN 0.420 nan 8.370 nan 0.000 0.575 434 S N -1.300 114.233 115.700 -0.279 0.000 2.507 434 S HA -0.134 4.336 4.470 0.001 0.000 0.235 434 S C 1.472 175.940 174.600 -0.219 0.000 0.988 434 S CA 0.794 58.820 58.200 -0.289 0.000 0.944 434 S CB -0.723 62.362 63.200 -0.192 0.000 0.762 434 S HN 0.563 nan 8.310 nan 0.000 0.526 435 S N -0.457 115.152 115.700 -0.151 0.000 2.582 435 S HA 0.234 4.705 4.470 0.001 0.000 0.234 435 S C 0.075 174.718 174.600 0.072 0.000 0.961 435 S CA -0.737 57.449 58.200 -0.024 0.000 0.953 435 S CB -0.992 62.194 63.200 -0.022 0.000 0.800 435 S HN 0.442 nan 8.310 nan 0.000 0.471 436 Y N 0.576 120.849 120.300 -0.046 0.000 4.236 436 Y HA -0.232 4.318 4.550 0.001 0.000 0.220 436 Y C 0.402 176.278 175.900 -0.039 0.000 1.115 436 Y CA 0.496 58.568 58.100 -0.045 0.000 1.811 436 Y CB -2.584 35.851 38.460 -0.042 0.000 1.581 436 Y HN 0.445 nan 8.280 nan 0.000 0.643 437 N N 0.567 119.283 118.700 0.028 0.000 2.479 437 N HA 0.450 5.190 4.740 0.001 0.000 0.257 437 N C 0.237 175.753 175.510 0.010 0.000 1.232 437 N CA 0.727 53.789 53.050 0.019 0.000 0.920 437 N CB 1.444 39.928 38.487 -0.005 0.000 1.105 437 N HN 0.194 nan 8.380 nan 0.000 0.444 438 V N -0.660 119.272 119.914 0.031 0.000 3.158 438 V HA 0.516 4.637 4.120 0.001 0.000 0.311 438 V C -0.475 175.665 176.094 0.077 0.000 1.181 438 V CA -1.023 61.301 62.300 0.039 0.000 1.054 438 V CB 1.885 33.735 31.823 0.045 0.000 1.085 438 V HN 0.481 nan 8.190 nan 0.000 0.446 439 Q N 1.954 121.837 119.800 0.138 0.000 2.230 439 Q HA 0.545 4.885 4.340 0.001 0.000 0.253 439 Q C -2.567 173.569 176.000 0.226 0.000 0.919 439 Q CA -1.859 54.065 55.803 0.201 0.000 0.908 439 Q CB 1.943 30.862 28.738 0.303 0.000 1.245 439 Q HN 0.687 nan 8.270 nan 0.000 0.437 440 P HA 0.057 nan 4.420 nan 0.000 0.277 440 P C -0.650 176.265 177.300 -0.642 0.000 1.240 440 P CA -0.191 62.818 63.100 -0.152 0.000 0.798 440 P CB 0.933 32.573 31.700 -0.099 0.000 0.979 441 D N -0.064 119.801 120.400 -0.892 0.000 2.123 441 D HA -0.092 4.549 4.640 0.001 0.000 0.196 441 D C 0.877 176.626 176.300 -0.919 0.000 0.992 441 D CA 1.683 54.682 54.000 -1.668 0.000 0.833 441 D CB -0.220 39.971 40.800 -1.014 0.000 0.954 441 D HN 0.500 nan 8.370 nan 0.000 0.455 442 S N -1.452 113.981 115.700 -0.445 0.000 2.632 442 S HA 0.482 4.952 4.470 0.001 0.000 0.289 442 S C 0.749 175.295 174.600 -0.090 0.000 1.115 442 S CA -0.899 57.176 58.200 -0.208 0.000 0.889 442 S CB 2.194 65.311 63.200 -0.140 0.000 1.116 442 S HN -0.128 nan 8.310 nan 0.000 0.486 443 V N 1.135 121.045 119.914 -0.007 0.000 2.535 443 V HA 0.055 4.176 4.120 0.001 0.000 0.246 443 V C 2.936 179.098 176.094 0.113 0.000 1.045 443 V CA 1.680 64.020 62.300 0.068 0.000 1.058 443 V CB -1.675 30.217 31.823 0.115 0.000 0.689 443 V HN 1.020 nan 8.190 nan 0.000 0.461 444 A N 1.187 124.057 122.820 0.083 0.000 1.892 444 A HA -0.167 4.154 4.320 0.001 0.000 0.218 444 A C 0.571 178.224 177.584 0.115 0.000 1.188 444 A CA 2.376 54.469 52.037 0.092 0.000 0.631 444 A CB -1.990 17.016 19.000 0.010 0.000 0.822 444 A HN 0.559 nan 8.150 nan 0.000 0.447 445 P HA -0.047 nan 4.420 nan 0.000 0.226 445 P C 1.055 178.404 177.300 0.081 0.000 1.153 445 P CA 0.995 64.127 63.100 0.053 0.000 0.777 445 P CB -0.138 31.567 31.700 0.008 0.000 0.794 446 I N -7.539 113.090 120.570 0.098 0.000 3.976 446 I HA 0.336 4.506 4.170 0.001 0.000 0.337 446 I C 0.429 176.625 176.117 0.132 0.000 1.359 446 I CA -0.825 60.530 61.300 0.090 0.000 1.098 446 I CB -0.416 37.615 38.000 0.050 0.000 1.027 446 I HN -0.230 nan 8.210 nan 0.000 0.394 447 W N 4.682 125.988 121.300 0.011 0.000 2.231 447 W HA 0.202 4.862 4.660 -0.000 0.000 0.341 447 W C 0.042 176.570 176.519 0.015 0.000 1.298 447 W CA 0.628 57.984 57.345 0.018 0.000 1.266 447 W CB 0.427 29.893 29.460 0.011 0.000 1.172 447 W HN 0.483 nan 8.180 nan 0.000 0.568 448 N N 3.733 121.942 118.700 -0.817 0.000 2.494 448 N HA 0.264 5.005 4.740 0.001 0.000 0.270 448 N C 0.409 175.073 175.510 -1.410 0.000 1.285 448 N CA -0.619 51.977 53.050 -0.756 0.000 0.812 448 N CB 1.059 39.380 38.487 -0.277 0.000 1.557 448 N HN 0.498 nan 8.380 nan 0.000 0.487 449 L N -2.379 118.275 121.223 -0.948 0.000 2.131 449 L HA 0.118 4.459 4.340 0.001 0.000 0.210 449 L C 1.356 177.936 176.870 -0.483 0.000 1.092 449 L CA 0.891 55.251 54.840 -0.801 0.000 0.759 449 L CB -0.256 41.269 42.059 -0.890 0.000 0.903 449 L HN 0.458 nan 8.230 nan 0.000 0.435 450 R N 1.105 121.408 120.500 -0.329 0.000 2.275 450 R HA 0.133 4.473 4.340 0.001 0.000 0.199 450 R C 1.420 177.696 176.300 -0.040 0.000 0.989 450 R CA 0.783 56.853 56.100 -0.050 0.000 1.016 450 R CB -0.385 29.942 30.300 0.046 0.000 0.918 450 R HN 0.680 nan 8.270 nan 0.000 0.473 451 G N 1.557 110.232 108.800 -0.208 0.000 2.198 451 G HA2 -0.278 3.683 3.960 0.001 0.000 0.260 451 G HA3 -0.278 3.683 3.960 0.001 0.000 0.260 451 G C 0.378 175.269 174.900 -0.015 0.000 1.025 451 G CA 0.568 45.586 45.100 -0.137 0.000 0.769 451 G HN 0.298 nan 8.290 nan 0.000 0.507 452 V N -2.705 117.200 119.914 -0.015 0.000 3.134 452 V HA 0.799 4.919 4.120 0.001 0.000 0.313 452 V C 1.559 177.668 176.094 0.025 0.000 1.069 452 V CA -0.456 61.876 62.300 0.053 0.000 1.048 452 V CB 1.446 33.330 31.823 0.100 0.000 1.119 452 V HN 1.151 nan 8.190 nan 0.000 0.461 453 L N 0.247 121.504 121.223 0.056 0.000 3.601 453 L HA -0.142 4.199 4.340 0.001 0.000 0.469 453 L C 0.584 177.485 176.870 0.052 0.000 1.294 453 L CA 1.005 55.877 54.840 0.054 0.000 0.829 453 L CB -1.562 40.517 42.059 0.034 0.000 1.628 453 L HN 0.976 nan 8.230 nan 0.000 0.868 454 S N 0.143 115.882 115.700 0.066 0.000 2.642 454 S HA 0.479 4.950 4.470 0.001 0.000 0.309 454 S C 1.017 175.678 174.600 0.101 0.000 1.125 454 S CA 0.186 58.433 58.200 0.079 0.000 1.055 454 S CB 0.252 63.504 63.200 0.087 0.000 1.157 454 S HN 0.465 nan 8.310 nan 0.000 0.513 455 T N 1.152 115.769 114.554 0.104 0.000 3.209 455 T HA 0.543 4.894 4.350 0.001 0.000 0.295 455 T C 0.541 175.325 174.700 0.140 0.000 0.977 455 T CA 0.018 62.196 62.100 0.130 0.000 0.922 455 T CB 0.222 69.166 68.868 0.126 0.000 1.152 455 T HN 0.565 nan 8.240 nan 0.000 0.527 456 A N 1.172 124.058 122.820 0.109 0.000 2.327 456 A HA 0.512 4.832 4.320 0.001 0.000 0.255 456 A C 0.214 177.935 177.584 0.229 0.000 1.099 456 A CA -0.692 51.385 52.037 0.066 0.000 0.801 456 A CB -0.089 18.902 19.000 -0.014 0.000 1.062 456 A HN 0.515 nan 8.150 nan 0.000 0.496 457 W N 0.742 122.114 121.300 0.120 0.000 2.314 457 W HA 0.084 4.745 4.660 0.002 0.000 0.339 457 W C 0.880 177.513 176.519 0.191 0.000 1.293 457 W CA 0.201 57.635 57.345 0.149 0.000 1.288 457 W CB -0.685 28.878 29.460 0.171 0.000 1.186 457 W HN 0.666 nan 8.180 nan 0.000 0.566 458 H N 4.077 123.332 119.070 0.307 0.000 2.690 458 H HA 0.320 4.877 4.556 0.001 0.000 0.314 458 H C -0.303 175.146 175.328 0.201 0.000 1.069 458 H CA -0.258 55.911 56.048 0.203 0.000 1.436 458 H CB 0.578 30.422 29.762 0.138 0.000 1.462 458 H HN 0.307 nan 8.280 nan 0.000 0.511 459 R N 4.094 124.530 120.500 -0.107 0.000 2.437 459 R HA 0.393 4.733 4.340 0.001 0.000 0.310 459 R C -1.267 174.863 176.300 -0.284 0.000 0.955 459 R CA -0.932 55.096 56.100 -0.120 0.000 0.851 459 R CB 2.334 32.652 30.300 0.030 0.000 1.161 459 R HN 0.263 nan 8.270 nan 0.000 0.446 460 V N 4.021 123.807 119.914 -0.213 0.000 2.409 460 V HA 0.379 4.500 4.120 0.001 0.000 0.290 460 V C -0.077 175.976 176.094 -0.067 0.000 1.017 460 V CA -0.831 61.376 62.300 -0.155 0.000 0.841 460 V CB 1.580 33.318 31.823 -0.143 0.000 1.003 460 V HN 0.648 nan 8.190 nan 0.000 0.426 461 R N 3.385 123.861 120.500 -0.041 0.000 2.221 461 R HA 0.708 5.048 4.340 0.001 0.000 0.327 461 R C -0.367 175.925 176.300 -0.014 0.000 1.033 461 R CA -0.276 55.810 56.100 -0.024 0.000 0.887 461 R CB 1.806 32.098 30.300 -0.013 0.000 1.057 461 R HN 0.674 nan 8.270 nan 0.000 0.455 462 V N -0.851 119.054 119.914 -0.014 0.000 3.156 462 V HA 0.769 4.890 4.120 0.001 0.000 0.311 462 V C -0.441 175.647 176.094 -0.009 0.000 1.208 462 V CA -0.894 61.401 62.300 -0.008 0.000 1.063 462 V CB 2.182 34.001 31.823 -0.007 0.000 1.098 462 V HN 0.797 nan 8.190 nan 0.000 0.452 463 S N -0.265 115.431 115.700 -0.006 0.000 2.542 463 S HA 0.835 5.306 4.470 0.001 0.000 0.293 463 S C -0.872 173.724 174.600 -0.006 0.000 1.089 463 S CA -0.712 57.484 58.200 -0.007 0.000 0.961 463 S CB 1.558 64.755 63.200 -0.004 0.000 1.062 463 S HN 1.270 nan 8.310 nan 0.000 0.483 464 V N 3.144 123.053 119.914 -0.008 0.000 2.370 464 V HA 0.327 4.448 4.120 0.001 0.000 0.279 464 V C 0.494 176.585 176.094 -0.005 0.000 1.029 464 V CA -0.606 61.690 62.300 -0.007 0.000 0.870 464 V CB 0.690 32.507 31.823 -0.009 0.000 0.984 464 V HN 0.957 nan 8.190 nan 0.000 0.451 465 Q N 2.342 122.140 119.800 -0.004 0.000 2.793 465 Q HA 0.124 4.465 4.340 0.001 0.000 0.220 465 Q C -0.577 175.421 176.000 -0.003 0.000 1.123 465 Q CA 0.156 55.957 55.803 -0.003 0.000 1.073 465 Q CB 0.430 29.167 28.738 -0.001 0.000 1.315 465 Q HN 0.743 nan 8.270 nan 0.000 0.619 466 D N 0.000 120.398 120.400 -0.003 0.000 6.856 466 D HA 0.000 4.641 4.640 0.001 0.000 0.175 466 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 466 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683