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 2fzm_1_A DATA FIRST_RESID 88 DATA SEQUENCE QSVSRAAITA AYRRPETEAV SMLLEQARLP QPVAEQAHKL AYQLADKLRN DATA SEQUENCE QKNASGRAGM XXXXXXXXXX XXXXGVALMC LAEALLRIPD KATRDALXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXIRKG VDMAMRLMGE QFVTGETIAE ALANARKLEE KGFRYSYDML DATA SEQUENCE GEAALTAADA QAYMVSYQQA IHAIGKASNG RGIYEGPGIS IKLSALHPRY DATA SEQUENCE SRAQYDRVME ELYPRLKSLT LLARQYDIGI NIDAEESDRL EISLDLLEKL DATA SEQUENCE CFEPELAGWN GIGFVIQAYQ KRCPLVIDYL IDLATRSRRR LMIRLVKGAY DATA SEQUENCE WDSEIKRAQM DGLEGYPVYT RKVYTDVSYL ACAKKLLAVP NLIYPQFATH DATA SEQUENCE NAHTLAAIYQ LAGQNYYPGQ YEFQCLHGMG EPLYEQVTGK VADGKLNRPC DATA SEQUENCE RIYAPVGTHE TLLAYLVRRL LENGANTSFV NRIADTSLPL DELVADPVTA DATA SEQUENCE VEKLAQQEGQ TGLPHPKIPL PRD 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 88 Q HA 0.000 nan 4.340 nan 0.000 0.214 88 Q C 0.000 175.993 176.000 -0.012 0.000 1.003 88 Q CA 0.000 55.784 55.803 -0.031 0.000 1.022 88 Q CB 0.000 28.710 28.738 -0.046 0.000 1.108 89 S N -0.636 115.065 115.700 0.002 0.000 2.569 89 S HA 0.236 4.706 4.470 0.000 0.000 0.274 89 S C 1.252 175.870 174.600 0.029 0.000 1.353 89 S CA 0.060 58.276 58.200 0.027 0.000 1.023 89 S CB 0.637 63.878 63.200 0.068 0.000 0.876 89 S HN 0.675 nan 8.310 nan 0.000 0.540 90 V N 2.563 122.497 119.914 0.034 0.000 2.231 90 V HA -0.256 3.864 4.120 0.000 0.000 0.250 90 V C 3.047 179.168 176.094 0.045 0.000 1.058 90 V CA 2.747 65.067 62.300 0.033 0.000 1.022 90 V CB -1.771 30.072 31.823 0.032 0.000 0.640 90 V HN 1.122 nan 8.190 nan 0.000 0.445 91 S N -0.209 115.536 115.700 0.076 0.000 2.383 91 S HA -0.185 4.285 4.470 0.000 0.000 0.227 91 S C 2.053 176.700 174.600 0.080 0.000 1.026 91 S CA 0.918 59.181 58.200 0.105 0.000 0.981 91 S CB -0.434 62.870 63.200 0.175 0.000 0.818 91 S HN 0.453 nan 8.310 nan 0.000 0.472 92 R N 1.622 122.148 120.500 0.044 0.000 2.092 92 R HA 0.162 4.502 4.340 0.000 0.000 0.231 92 R C 2.682 178.953 176.300 -0.049 0.000 1.119 92 R CA 1.323 57.382 56.100 -0.067 0.000 0.970 92 R CB -1.372 28.868 30.300 -0.100 0.000 0.864 92 R HN 0.609 nan 8.270 nan 0.000 0.440 93 A N 0.978 123.788 122.820 -0.016 0.000 1.902 93 A HA -0.058 4.262 4.320 0.000 0.000 0.217 93 A C 2.338 179.922 177.584 -0.001 0.000 1.181 93 A CA 1.705 53.735 52.037 -0.011 0.000 0.623 93 A CB -0.480 18.520 19.000 -0.001 0.000 0.818 93 A HN 0.336 nan 8.150 nan 0.000 0.443 94 A N -0.260 122.566 122.820 0.011 0.000 1.969 94 A HA -0.023 4.298 4.320 0.000 0.000 0.218 94 A C 2.070 179.663 177.584 0.015 0.000 1.169 94 A CA 1.348 53.398 52.037 0.021 0.000 0.635 94 A CB -0.554 18.466 19.000 0.033 0.000 0.810 94 A HN 0.502 nan 8.150 nan 0.000 0.445 95 I N -0.660 119.905 120.570 -0.007 0.000 2.142 95 I HA -0.233 3.938 4.170 0.000 0.000 0.240 95 I C 2.643 178.731 176.117 -0.049 0.000 1.078 95 I CA 1.813 63.092 61.300 -0.035 0.000 1.343 95 I CB -0.641 37.307 38.000 -0.086 0.000 1.046 95 I HN 0.235 nan 8.210 nan 0.000 0.405 96 T N 0.743 115.268 114.554 -0.047 0.000 2.684 96 T HA -0.219 4.131 4.350 0.000 0.000 0.267 96 T C 1.956 176.693 174.700 0.060 0.000 1.036 96 T CA 1.624 63.719 62.100 -0.009 0.000 1.148 96 T CB -0.360 68.505 68.868 -0.004 0.000 0.863 96 T HN 0.497 nan 8.240 nan 0.000 0.436 97 A N 0.905 123.750 122.820 0.041 0.000 2.015 97 A HA 0.289 4.609 4.320 0.000 0.000 0.219 97 A C 2.380 180.004 177.584 0.066 0.000 1.163 97 A CA 1.523 53.590 52.037 0.050 0.000 0.646 97 A CB -0.618 18.401 19.000 0.032 0.000 0.806 97 A HN 0.508 nan 8.150 nan 0.000 0.448 98 A N -2.385 120.475 122.820 0.067 0.000 2.218 98 A HA 0.196 4.517 4.320 0.000 0.000 0.209 98 A C 1.587 179.246 177.584 0.125 0.000 1.168 98 A CA 0.370 52.453 52.037 0.077 0.000 0.804 98 A CB -0.705 18.332 19.000 0.061 0.000 0.834 98 A HN 0.624 nan 8.150 nan 0.000 0.482 99 Y N 0.676 120.972 120.300 -0.007 0.000 2.038 99 Y HA -0.358 4.192 4.550 0.001 0.000 0.266 99 Y C 1.593 177.474 175.900 -0.031 0.000 1.220 99 Y CA 1.980 60.070 58.100 -0.017 0.000 1.107 99 Y CB 0.088 38.534 38.460 -0.024 0.000 0.932 99 Y HN 0.298 nan 8.280 nan 0.000 0.500 100 R N 0.128 120.718 120.500 0.150 0.000 2.668 100 R HA 0.161 4.501 4.340 0.000 0.000 0.435 100 R C -0.590 175.715 176.300 0.008 0.000 1.059 100 R CA -0.361 55.747 56.100 0.013 0.000 1.073 100 R CB 0.455 30.675 30.300 -0.133 0.000 1.401 100 R HN 0.268 nan 8.270 nan 0.000 0.590 101 R N 0.832 121.355 120.500 0.038 0.000 2.623 101 R HA 0.177 4.517 4.340 0.000 0.000 0.271 101 R C -2.363 173.960 176.300 0.038 0.000 1.043 101 R CA -1.292 54.828 56.100 0.034 0.000 1.083 101 R CB -0.375 29.953 30.300 0.047 0.000 0.974 101 R HN -0.232 nan 8.270 nan 0.000 0.436 102 P HA -0.106 nan 4.420 nan 0.000 0.264 102 P C -0.155 177.189 177.300 0.073 0.000 1.179 102 P CA 0.211 63.342 63.100 0.052 0.000 0.763 102 P CB 0.646 32.369 31.700 0.039 0.000 0.806 103 E N 1.298 121.560 120.200 0.104 0.000 2.106 103 E HA -0.172 4.178 4.350 0.000 0.000 0.192 103 E C 1.533 178.155 176.600 0.037 0.000 0.984 103 E CA 1.739 58.218 56.400 0.133 0.000 0.806 103 E CB -0.156 29.675 29.700 0.218 0.000 0.750 103 E HN 0.605 nan 8.360 nan 0.000 0.458 104 T N -1.168 113.402 114.554 0.027 0.000 2.759 104 T HA -0.222 4.128 4.350 0.000 0.000 0.269 104 T C 1.826 176.517 174.700 -0.014 0.000 1.042 104 T CA 1.514 63.605 62.100 -0.015 0.000 1.140 104 T CB -0.270 68.606 68.868 0.014 0.000 0.864 104 T HN 0.221 nan 8.240 nan 0.000 0.455 105 E N 1.460 121.670 120.200 0.017 0.000 2.046 105 E HA -0.007 4.343 4.350 0.000 0.000 0.190 105 E C 2.508 179.130 176.600 0.038 0.000 0.982 105 E CA 0.863 57.278 56.400 0.025 0.000 0.800 105 E CB -0.451 29.269 29.700 0.033 0.000 0.756 105 E HN 0.609 nan 8.360 nan 0.000 0.449 106 A N 0.496 123.360 122.820 0.072 0.000 1.902 106 A HA -0.130 4.190 4.320 0.000 0.000 0.217 106 A C 2.363 180.003 177.584 0.094 0.000 1.181 106 A CA 1.517 53.634 52.037 0.133 0.000 0.623 106 A CB -0.576 18.569 19.000 0.241 0.000 0.818 106 A HN 0.234 nan 8.150 nan 0.000 0.443 107 V N -0.319 119.593 119.914 -0.004 0.000 2.453 107 V HA -0.152 3.968 4.120 0.000 0.000 0.247 107 V C 2.702 178.733 176.094 -0.105 0.000 1.048 107 V CA 2.016 64.217 62.300 -0.166 0.000 1.049 107 V CB -0.654 30.868 31.823 -0.502 0.000 0.672 107 V HN 0.532 nan 8.190 nan 0.000 0.457 108 S N 0.015 115.676 115.700 -0.065 0.000 2.368 108 S HA -0.195 4.275 4.470 0.000 0.000 0.225 108 S C 1.966 176.561 174.600 -0.009 0.000 1.030 108 S CA 1.830 60.010 58.200 -0.032 0.000 0.999 108 S CB -0.347 62.844 63.200 -0.016 0.000 0.844 108 S HN 0.489 nan 8.310 nan 0.000 0.459 109 M N 0.636 120.240 119.600 0.007 0.000 2.213 109 M HA -0.019 4.461 4.480 0.000 0.000 0.263 109 M C 1.744 178.058 176.300 0.022 0.000 1.062 109 M CA 1.215 56.528 55.300 0.021 0.000 1.105 109 M CB -0.495 32.128 32.600 0.037 0.000 1.385 109 M HN 0.247 nan 8.290 nan 0.000 0.417 110 L N -0.450 120.784 121.223 0.017 0.000 2.313 110 L HA -0.105 4.235 4.340 0.000 0.000 0.214 110 L C 2.292 179.166 176.870 0.006 0.000 1.119 110 L CA 0.295 55.145 54.840 0.017 0.000 0.809 110 L CB -0.397 41.666 42.059 0.006 0.000 0.933 110 L HN 0.348 nan 8.230 nan 0.000 0.449 111 L N -0.165 121.055 121.223 -0.005 0.000 2.017 111 L HA -0.192 4.149 4.340 0.000 0.000 0.208 111 L C 2.631 179.505 176.870 0.007 0.000 1.073 111 L CA 1.432 56.270 54.840 -0.003 0.000 0.745 111 L CB -0.255 41.798 42.059 -0.009 0.000 0.894 111 L HN 0.344 nan 8.230 nan 0.000 0.432 112 E N -0.229 119.976 120.200 0.008 0.000 2.208 112 E HA -0.182 4.168 4.350 0.000 0.000 0.193 112 E C 2.026 178.633 176.600 0.013 0.000 0.988 112 E CA 0.730 57.136 56.400 0.010 0.000 0.828 112 E CB -0.126 29.580 29.700 0.009 0.000 0.763 112 E HN 0.649 nan 8.360 nan 0.000 0.478 113 Q N 0.121 119.930 119.800 0.016 0.000 2.297 113 Q HA 0.055 4.395 4.340 0.000 0.000 0.204 113 Q C 1.754 177.765 176.000 0.019 0.000 0.962 113 Q CA 1.233 57.047 55.803 0.018 0.000 0.879 113 Q CB 0.045 28.797 28.738 0.023 0.000 0.947 113 Q HN 0.161 nan 8.270 nan 0.000 0.462 114 A N 0.970 123.803 122.820 0.022 0.000 2.220 114 A HA 0.056 4.376 4.320 0.000 0.000 0.211 114 A C 0.933 178.536 177.584 0.032 0.000 1.176 114 A CA -0.408 51.647 52.037 0.030 0.000 0.834 114 A CB 0.074 19.097 19.000 0.038 0.000 0.868 114 A HN 0.107 nan 8.150 nan 0.000 0.488 115 R N 0.603 121.117 120.500 0.025 0.000 2.484 115 R HA 0.179 4.520 4.340 0.000 0.000 0.293 115 R C -1.146 175.169 176.300 0.025 0.000 1.023 115 R CA -0.194 55.921 56.100 0.025 0.000 1.037 115 R CB -0.009 30.302 30.300 0.018 0.000 0.951 115 R HN 0.182 nan 8.270 nan 0.000 0.418 116 L N 8.256 129.500 121.223 0.035 0.000 2.319 116 L HA 0.273 4.613 4.340 0.000 0.000 0.280 116 L C -1.868 175.016 176.870 0.023 0.000 1.099 116 L CA -1.680 53.178 54.840 0.030 0.000 0.828 116 L CB 0.995 43.084 42.059 0.050 0.000 1.150 116 L HN 0.623 nan 8.230 nan 0.000 0.442 117 P HA 0.038 nan 4.420 nan 0.000 0.264 117 P C 0.722 178.031 177.300 0.015 0.000 1.183 117 P CA 0.464 63.571 63.100 0.012 0.000 0.763 117 P CB 0.465 32.169 31.700 0.007 0.000 0.807 118 Q N 6.321 126.127 119.800 0.011 0.000 2.084 118 Q HA -0.248 4.092 4.340 0.000 0.000 0.215 118 Q C -0.488 175.520 176.000 0.014 0.000 1.020 118 Q CA 2.999 58.808 55.803 0.009 0.000 0.887 118 Q CB -3.319 nan 28.738 nan 0.000 0.975 118 Q HN 0.553 nan 8.270 nan 0.000 0.413 119 P HA -0.099 nan 4.420 nan 0.000 0.215 119 P C 1.607 178.923 177.300 0.026 0.000 1.157 119 P CA 1.530 64.641 63.100 0.017 0.000 0.868 119 P CB -0.365 31.343 31.700 0.013 0.000 0.788 120 V N 0.883 120.811 119.914 0.023 0.000 2.295 120 V HA -0.255 3.865 4.120 0.000 0.000 0.246 120 V C 2.831 178.951 176.094 0.043 0.000 1.049 120 V CA 2.276 64.592 62.300 0.027 0.000 1.024 120 V CB -1.691 30.139 31.823 0.012 0.000 0.648 120 V HN 0.106 nan 8.190 nan 0.000 0.447 121 A N 0.680 123.528 122.820 0.047 0.000 1.917 121 A HA -0.270 4.050 4.320 0.000 0.000 0.219 121 A C 2.411 180.056 177.584 0.101 0.000 1.182 121 A CA 2.524 54.606 52.037 0.075 0.000 0.633 121 A CB -0.578 18.457 19.000 0.058 0.000 0.819 121 A HN 0.750 nan 8.150 nan 0.000 0.448 122 E N -1.627 118.616 120.200 0.072 0.000 2.112 122 E HA -0.138 4.212 4.350 0.000 0.000 0.190 122 E C 1.935 178.601 176.600 0.110 0.000 0.979 122 E CA 1.013 57.465 56.400 0.087 0.000 0.814 122 E CB -0.820 28.901 29.700 0.036 0.000 0.762 122 E HN 0.659 nan 8.360 nan 0.000 0.460 123 Q N 0.225 120.073 119.800 0.080 0.000 2.170 123 Q HA 0.081 4.421 4.340 0.000 0.000 0.203 123 Q C 2.384 178.433 176.000 0.082 0.000 0.976 123 Q CA 1.922 57.773 55.803 0.079 0.000 0.858 123 Q CB -0.662 28.121 28.738 0.074 0.000 0.907 123 Q HN 0.646 nan 8.270 nan 0.000 0.433 124 A N -0.563 122.306 122.820 0.082 0.000 1.897 124 A HA -0.186 4.135 4.320 0.000 0.000 0.215 124 A C 1.916 179.546 177.584 0.076 0.000 1.181 124 A CA 1.618 53.678 52.037 0.038 0.000 0.620 124 A CB -0.765 18.230 19.000 -0.008 0.000 0.821 124 A HN 0.476 nan 8.150 nan 0.000 0.443 125 H N -0.076 119.041 119.070 0.079 0.000 2.319 125 H HA -0.128 4.428 4.556 0.000 0.000 0.299 125 H C 2.076 177.463 175.328 0.100 0.000 1.092 125 H CA 2.355 58.472 56.048 0.115 0.000 1.302 125 H CB -0.081 29.732 29.762 0.084 0.000 1.373 125 H HN 0.430 nan 8.280 nan 0.000 0.497 126 K N -0.577 119.872 120.400 0.082 0.000 2.026 126 K HA -0.132 4.188 4.320 0.000 0.000 0.208 126 K C 2.153 178.754 176.600 0.002 0.000 1.048 126 K CA 1.355 57.655 56.287 0.022 0.000 0.929 126 K CB -0.227 32.302 32.500 0.048 0.000 0.713 126 K HN 0.255 nan 8.250 nan 0.000 0.439 127 L N 0.687 121.901 121.223 -0.015 0.000 2.056 127 L HA -0.053 4.287 4.340 0.000 0.000 0.207 127 L C 2.076 178.889 176.870 -0.095 0.000 1.078 127 L CA 1.925 56.722 54.840 -0.070 0.000 0.749 127 L CB -0.674 41.320 42.059 -0.108 0.000 0.901 127 L HN 0.155 nan 8.230 nan 0.000 0.433 128 A N -1.171 121.597 122.820 -0.085 0.000 1.883 128 A HA -0.307 4.013 4.320 0.000 0.000 0.217 128 A C 2.333 179.881 177.584 -0.061 0.000 1.186 128 A CA 1.956 53.943 52.037 -0.084 0.000 0.624 128 A CB -1.316 17.675 19.000 -0.015 0.000 0.822 128 A HN 0.638 nan 8.150 nan 0.000 0.444 129 Y N 0.460 120.638 120.300 -0.203 0.000 2.128 129 Y HA -0.296 4.254 4.550 0.000 0.000 0.284 129 Y C 2.655 178.485 175.900 -0.117 0.000 1.154 129 Y CA 2.459 60.444 58.100 -0.192 0.000 1.149 129 Y CB -0.329 37.957 38.460 -0.289 0.000 0.976 129 Y HN 0.444 nan 8.280 nan 0.000 0.505 130 Q N -0.106 119.734 119.800 0.066 0.000 2.030 130 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 130 Q C 2.324 178.268 176.000 -0.092 0.000 0.986 130 Q CA 2.171 57.976 55.803 0.004 0.000 0.843 130 Q CB -0.361 28.375 28.738 -0.003 0.000 0.904 130 Q HN 0.516 nan 8.270 nan 0.000 0.420 131 L N 0.105 121.258 121.223 -0.117 0.000 2.042 131 L HA -0.227 4.113 4.340 0.000 0.000 0.210 131 L C 2.508 179.308 176.870 -0.117 0.000 1.076 131 L CA 1.207 55.962 54.840 -0.143 0.000 0.749 131 L CB -0.599 41.341 42.059 -0.199 0.000 0.893 131 L HN 0.226 nan 8.230 nan 0.000 0.432 132 A N -0.464 122.290 122.820 -0.110 0.000 1.897 132 A HA -0.246 4.074 4.320 0.000 0.000 0.215 132 A C 1.910 179.387 177.584 -0.179 0.000 1.181 132 A CA 1.837 53.824 52.037 -0.084 0.000 0.620 132 A CB -0.634 18.332 19.000 -0.056 0.000 0.821 132 A HN 0.408 nan 8.150 nan 0.000 0.443 133 D N -0.388 119.847 120.400 -0.274 0.000 2.137 133 D HA -0.196 4.444 4.640 0.000 0.000 0.189 133 D C 1.949 178.167 176.300 -0.137 0.000 0.998 133 D CA 1.922 55.773 54.000 -0.248 0.000 0.839 133 D CB -0.084 40.568 40.800 -0.246 0.000 0.962 133 D HN 0.413 nan 8.370 nan 0.000 0.446 134 K N -0.736 119.600 120.400 -0.105 0.000 2.103 134 K HA -0.153 4.167 4.320 0.000 0.000 0.207 134 K C 1.939 178.497 176.600 -0.071 0.000 1.048 134 K CA 0.534 56.776 56.287 -0.075 0.000 0.930 134 K CB -0.159 32.301 32.500 -0.067 0.000 0.716 134 K HN 0.129 nan 8.250 nan 0.000 0.444 135 L N 1.167 122.343 121.223 -0.078 0.000 2.005 135 L HA -0.124 4.216 4.340 0.000 0.000 0.207 135 L C 2.335 179.164 176.870 -0.070 0.000 1.072 135 L CA 1.638 56.441 54.840 -0.062 0.000 0.744 135 L CB -0.530 41.505 42.059 -0.040 0.000 0.895 135 L HN 0.044 nan 8.230 nan 0.000 0.433 136 R N -0.195 120.249 120.500 -0.093 0.000 2.091 136 R HA -0.130 4.210 4.340 0.000 0.000 0.238 136 R C 0.548 176.800 176.300 -0.079 0.000 1.136 136 R CA 1.891 57.931 56.100 -0.100 0.000 0.959 136 R CB -0.202 30.020 30.300 -0.130 0.000 0.856 136 R HN 0.548 nan 8.270 nan 0.000 0.437 137 N N -0.181 118.475 118.700 -0.075 0.000 2.671 137 N HA 0.056 4.797 4.740 0.000 0.000 0.303 137 N C 0.884 176.367 175.510 -0.046 0.000 1.351 137 N CA 0.061 53.077 53.050 -0.058 0.000 0.991 137 N CB 1.252 39.705 38.487 -0.057 0.000 1.307 137 N HN 0.285 nan 8.380 nan 0.000 0.512 138 Q N 1.516 121.289 119.800 -0.045 0.000 1.990 138 Q HA -0.054 4.286 4.340 0.000 0.000 0.200 138 Q C 1.395 177.378 176.000 -0.028 0.000 0.980 138 Q CA 1.245 57.026 55.803 -0.036 0.000 0.832 138 Q CB -0.587 28.130 28.738 -0.035 0.000 0.897 138 Q HN 0.367 nan 8.270 nan 0.000 0.427 139 K N 0.554 120.937 120.400 -0.028 0.000 2.969 139 K HA 0.246 4.566 4.320 0.000 0.000 0.222 139 K C -0.289 176.297 176.600 -0.023 0.000 1.172 139 K CA 0.001 56.274 56.287 -0.023 0.000 1.192 139 K CB 0.090 32.577 32.500 -0.022 0.000 1.111 139 K HN 0.511 nan 8.250 nan 0.000 0.457 140 N N 0.735 119.420 118.700 -0.025 0.000 2.738 140 N HA -0.235 4.505 4.740 0.000 0.000 0.249 140 N C 0.323 175.816 175.510 -0.028 0.000 1.047 140 N CA 0.655 53.690 53.050 -0.025 0.000 0.707 140 N CB -0.972 37.504 38.487 -0.018 0.000 0.937 140 N HN 0.483 nan 8.380 nan 0.000 0.545 141 A N -1.468 121.332 122.820 -0.034 0.000 2.167 141 A HA 0.118 4.438 4.320 0.000 0.000 0.214 141 A C 2.080 179.641 177.584 -0.038 0.000 1.151 141 A CA 1.514 53.529 52.037 -0.037 0.000 0.735 141 A CB 0.039 19.014 19.000 -0.043 0.000 0.802 141 A HN 0.418 nan 8.150 nan 0.000 0.467 142 S N -1.116 114.561 115.700 -0.039 0.000 2.502 142 S HA 0.126 4.596 4.470 0.000 0.000 0.228 142 S C 2.000 176.584 174.600 -0.026 0.000 1.061 142 S CA 0.495 58.673 58.200 -0.036 0.000 0.935 142 S CB -0.100 63.074 63.200 -0.044 0.000 0.809 142 S HN 0.662 nan 8.310 nan 0.000 0.510 143 G N 1.772 110.559 108.800 -0.022 0.000 2.443 143 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 143 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 143 G C 1.465 176.356 174.900 -0.015 0.000 1.131 143 G CA 0.286 45.376 45.100 -0.016 0.000 0.775 143 G HN 0.360 nan 8.290 nan 0.000 0.547 144 R N 0.309 120.798 120.500 -0.018 0.000 2.090 144 R HA 0.165 4.505 4.340 0.000 0.000 0.228 144 R C 2.924 179.214 176.300 -0.018 0.000 1.110 144 R CA 0.879 56.968 56.100 -0.017 0.000 0.973 144 R CB -0.247 30.042 30.300 -0.018 0.000 0.869 144 R HN 0.296 nan 8.270 nan 0.000 0.440 145 A N 0.769 123.576 122.820 -0.021 0.000 2.125 145 A HA -0.062 4.258 4.320 0.000 0.000 0.219 145 A C 1.910 179.483 177.584 -0.017 0.000 1.156 145 A CA 1.442 53.467 52.037 -0.021 0.000 0.671 145 A CB -0.632 nan 19.000 nan 0.000 0.794 145 A HN 0.427 nan 8.150 nan 0.000 0.459 146 G N -1.807 106.984 108.800 -0.015 0.000 3.332 146 G HA2 0.434 4.394 3.960 0.000 0.000 0.242 146 G HA3 0.434 4.394 3.960 0.000 0.000 0.242 146 G C 0.167 175.061 174.900 -0.010 0.000 1.276 146 G CA 0.928 46.021 45.100 -0.011 0.000 0.988 146 G HN 0.824 nan 8.290 nan 0.000 0.517 163 V N 2.474 122.384 119.914 -0.008 0.000 2.515 163 V HA 0.040 4.160 4.120 0.000 0.000 0.250 163 V C 3.222 179.312 176.094 -0.007 0.000 1.058 163 V CA 2.712 65.007 62.300 -0.008 0.000 1.064 163 V CB -0.613 31.205 31.823 -0.008 0.000 0.675 163 V HN 0.580 nan 8.190 nan 0.000 0.461 164 A N 0.103 122.919 122.820 -0.006 0.000 1.883 164 A HA -0.224 4.097 4.320 0.000 0.000 0.217 164 A C 2.174 179.755 177.584 -0.005 0.000 1.186 164 A CA 2.126 54.160 52.037 -0.005 0.000 0.624 164 A CB -0.655 18.342 19.000 -0.005 0.000 0.822 164 A HN 0.438 nan 8.150 nan 0.000 0.444 165 L N -0.686 120.534 121.223 -0.005 0.000 2.043 165 L HA -0.202 4.139 4.340 0.000 0.000 0.212 165 L C 2.446 179.313 176.870 -0.005 0.000 1.075 165 L CA 2.100 56.937 54.840 -0.005 0.000 0.752 165 L CB -0.437 41.618 42.059 -0.005 0.000 0.891 165 L HN 0.355 nan 8.230 nan 0.000 0.432 166 M N -1.715 117.882 119.600 -0.006 0.000 2.132 166 M HA -0.191 4.289 4.480 0.000 0.000 0.263 166 M C 2.426 178.723 176.300 -0.006 0.000 1.065 166 M CA 1.513 56.809 55.300 -0.006 0.000 1.122 166 M CB -1.529 31.067 32.600 -0.007 0.000 1.365 166 M HN 0.406 nan 8.290 nan 0.000 0.411 167 C N 0.206 119.502 119.300 -0.006 0.000 2.422 167 C HA -0.088 4.372 4.460 0.000 0.000 0.279 167 C C 2.797 177.784 174.990 -0.005 0.000 1.305 167 C CA 0.256 59.271 59.018 -0.005 0.000 1.757 167 C CB -1.348 26.389 27.740 -0.005 0.000 1.962 167 C HN 0.497 nan 8.230 nan 0.000 0.499 168 L N 1.517 122.737 121.223 -0.005 0.000 2.072 168 L HA -0.054 4.286 4.340 0.000 0.000 0.205 168 L C 2.759 179.626 176.870 -0.004 0.000 1.079 168 L CA 2.181 57.018 54.840 -0.004 0.000 0.752 168 L CB -1.172 40.885 42.059 -0.004 0.000 0.906 168 L HN 0.329 nan 8.230 nan 0.000 0.436 169 A N -0.714 122.103 122.820 -0.004 0.000 1.972 169 A HA -0.243 4.078 4.320 0.000 0.000 0.219 169 A C 2.207 179.788 177.584 -0.004 0.000 1.169 169 A CA 1.638 53.672 52.037 -0.004 0.000 0.635 169 A CB -0.446 18.551 19.000 -0.005 0.000 0.810 169 A HN 0.548 nan 8.150 nan 0.000 0.446 170 E N -0.262 119.935 120.200 -0.005 0.000 2.072 170 E HA -0.060 4.291 4.350 0.000 0.000 0.190 170 E C 2.124 178.722 176.600 -0.004 0.000 0.982 170 E CA 0.828 57.225 56.400 -0.005 0.000 0.803 170 E CB -0.163 29.534 29.700 -0.005 0.000 0.755 170 E HN 0.535 nan 8.360 nan 0.000 0.453 171 A N 0.879 123.696 122.820 -0.004 0.000 2.014 171 A HA -0.053 4.267 4.320 0.000 0.000 0.218 171 A C 2.132 179.714 177.584 -0.003 0.000 1.163 171 A CA 0.541 52.576 52.037 -0.004 0.000 0.652 171 A CB -0.392 18.605 19.000 -0.003 0.000 0.808 171 A HN 0.249 nan 8.150 nan 0.000 0.449 172 L N -0.750 120.471 121.223 -0.003 0.000 2.093 172 L HA -0.098 4.243 4.340 0.000 0.000 0.208 172 L C 2.149 179.017 176.870 -0.003 0.000 1.085 172 L CA 0.842 55.680 54.840 -0.003 0.000 0.755 172 L CB -0.359 41.698 42.059 -0.003 0.000 0.904 172 L HN 0.356 nan 8.230 nan 0.000 0.435 173 L N -0.726 120.495 121.223 -0.003 0.000 2.552 173 L HA -0.061 4.279 4.340 0.000 0.000 0.227 173 L C 2.266 179.134 176.870 -0.003 0.000 1.146 173 L CA 0.465 55.303 54.840 -0.003 0.000 0.858 173 L CB -0.280 41.777 42.059 -0.004 0.000 0.969 173 L HN 0.195 nan 8.230 nan 0.000 0.451 174 R N -0.107 120.391 120.500 -0.003 0.000 2.297 174 R HA 0.173 4.514 4.340 0.000 0.000 0.197 174 R C 0.404 176.702 176.300 -0.003 0.000 0.943 174 R CA 0.072 56.170 56.100 -0.003 0.000 1.038 174 R CB 0.119 30.417 30.300 -0.003 0.000 0.957 174 R HN 0.258 nan 8.270 nan 0.000 0.484 175 I N 3.953 124.521 120.570 -0.002 0.000 2.406 175 I HA 0.018 4.189 4.170 0.000 0.000 0.293 175 I C -1.183 174.933 176.117 -0.002 0.000 1.101 175 I CA -1.549 59.750 61.300 -0.002 0.000 1.334 175 I CB 1.108 39.107 38.000 -0.002 0.000 1.421 175 I HN -0.127 nan 8.210 nan 0.000 0.513 176 P HA -0.089 nan 4.420 nan 0.000 0.220 176 P C -0.062 177.237 177.300 -0.002 0.000 1.148 176 P CA 1.216 64.315 63.100 -0.002 0.000 0.803 176 P CB 0.169 31.868 31.700 -0.002 0.000 0.782 177 D N -0.142 120.257 120.400 -0.002 0.000 2.256 177 D HA 0.086 4.726 4.640 0.000 0.000 0.240 177 D C 1.007 177.306 176.300 -0.002 0.000 1.062 177 D CA -0.391 53.608 54.000 -0.001 0.000 0.832 177 D CB 2.080 42.880 40.800 -0.001 0.000 1.135 177 D HN -0.062 nan 8.370 nan 0.000 0.484 178 K N 2.090 122.489 120.400 -0.002 0.000 2.147 178 K HA -0.154 4.166 4.320 0.000 0.000 0.205 178 K C 1.600 178.200 176.600 -0.002 0.000 1.049 178 K CA 1.205 57.491 56.287 -0.002 0.000 0.936 178 K CB 0.193 32.692 32.500 -0.002 0.000 0.722 178 K HN 0.421 nan 8.250 nan 0.000 0.446 179 A N 0.447 123.266 122.820 -0.001 0.000 1.841 179 A HA -0.119 4.201 4.320 0.000 0.000 0.214 179 A C 2.164 179.747 177.584 -0.001 0.000 1.195 179 A CA 2.095 54.131 52.037 -0.001 0.000 0.611 179 A CB -1.176 17.823 19.000 -0.001 0.000 0.835 179 A HN 0.414 nan 8.150 nan 0.000 0.443 180 T N -0.356 114.197 114.554 -0.001 0.000 2.653 180 T HA -0.252 4.098 4.350 0.000 0.000 0.268 180 T C 2.056 176.755 174.700 -0.002 0.000 1.035 180 T CA 1.824 63.923 62.100 -0.001 0.000 1.154 180 T CB -0.315 68.552 68.868 -0.001 0.000 0.862 180 T HN 0.527 nan 8.240 nan 0.000 0.441 181 R N 0.724 121.223 120.500 -0.002 0.000 2.066 181 R HA -0.128 4.212 4.340 0.000 0.000 0.232 181 R C 2.060 178.359 176.300 -0.002 0.000 1.131 181 R CA 1.748 57.847 56.100 -0.002 0.000 0.955 181 R CB -0.279 30.020 30.300 -0.002 0.000 0.851 181 R HN 0.328 nan 8.270 nan 0.000 0.432 182 D N 0.433 120.831 120.400 -0.002 0.000 2.092 182 D HA -0.173 4.467 4.640 0.000 0.000 0.193 182 D C 1.780 178.079 176.300 -0.002 0.000 0.994 182 D CA 1.713 55.712 54.000 -0.002 0.000 0.828 182 D CB -0.442 40.357 40.800 -0.002 0.000 0.963 182 D HN 0.368 nan 8.370 nan 0.000 0.450 183 A N 0.660 123.479 122.820 -0.002 0.000 1.917 183 A HA -0.137 4.183 4.320 0.000 0.000 0.219 183 A C 1.554 179.137 177.584 -0.002 0.000 1.182 183 A CA 0.812 52.848 52.037 -0.001 0.000 0.633 183 A CB -0.692 18.307 19.000 -0.001 0.000 0.819 183 A HN 0.236 nan 8.150 nan 0.000 0.448 245 R N 1.934 122.445 120.500 0.018 0.000 2.115 245 R HA 0.041 4.381 4.340 0.000 0.000 0.226 245 R C 2.116 178.429 176.300 0.021 0.000 1.100 245 R CA 2.112 58.224 56.100 0.020 0.000 0.980 245 R CB -1.285 29.026 30.300 0.019 0.000 0.875 245 R HN 0.500 nan 8.270 nan 0.000 0.445 246 K N 0.002 120.413 120.400 0.018 0.000 2.243 246 K HA 0.210 4.530 4.320 0.000 0.000 0.201 246 K C 2.558 179.170 176.600 0.020 0.000 1.051 246 K CA 1.031 57.329 56.287 0.019 0.000 0.970 246 K CB -0.841 31.668 32.500 0.015 0.000 0.755 246 K HN 0.559 nan 8.250 nan 0.000 0.465 247 G N 0.121 108.933 108.800 0.019 0.000 2.430 247 G HA2 -0.015 3.945 3.960 0.000 0.000 0.216 247 G HA3 -0.015 3.945 3.960 0.000 0.000 0.216 247 G C 1.715 176.630 174.900 0.024 0.000 1.146 247 G CA 0.936 46.048 45.100 0.020 0.000 0.793 247 G HN 0.277 nan 8.290 nan 0.000 0.537 248 V N 1.083 121.013 119.914 0.026 0.000 2.323 248 V HA -0.145 3.975 4.120 0.000 0.000 0.244 248 V C 2.413 178.528 176.094 0.036 0.000 1.041 248 V CA 2.303 64.622 62.300 0.031 0.000 1.025 248 V CB -0.333 31.509 31.823 0.031 0.000 0.656 248 V HN 0.477 nan 8.190 nan 0.000 0.451 249 D N -0.601 119.820 120.400 0.034 0.000 2.123 249 D HA -0.266 4.374 4.640 0.000 0.000 0.196 249 D C 2.151 178.474 176.300 0.039 0.000 0.992 249 D CA 1.977 55.999 54.000 0.038 0.000 0.833 249 D CB -0.064 40.755 40.800 0.033 0.000 0.954 249 D HN 0.408 nan 8.370 nan 0.000 0.455 250 M N -0.010 119.609 119.600 0.032 0.000 2.081 250 M HA -0.035 4.445 4.480 0.000 0.000 0.261 250 M C 2.135 178.455 176.300 0.034 0.000 1.075 250 M CA 1.926 57.244 55.300 0.030 0.000 1.133 250 M CB -0.195 32.419 32.600 0.023 0.000 1.330 250 M HN 0.039 nan 8.290 nan 0.000 0.414 251 A N 0.711 123.551 122.820 0.034 0.000 1.948 251 A HA -0.249 4.071 4.320 0.000 0.000 0.220 251 A C 2.351 179.966 177.584 0.052 0.000 1.177 251 A CA 2.184 54.243 52.037 0.037 0.000 0.636 251 A CB -1.070 17.951 19.000 0.034 0.000 0.815 251 A HN 0.788 nan 8.150 nan 0.000 0.449 252 M N 0.212 119.847 119.600 0.058 0.000 2.067 252 M HA -0.228 4.252 4.480 0.000 0.000 0.260 252 M C 2.404 178.758 176.300 0.090 0.000 1.069 252 M CA 2.390 57.737 55.300 0.078 0.000 1.117 252 M CB -0.316 32.328 32.600 0.074 0.000 1.334 252 M HN 0.614 nan 8.290 nan 0.000 0.407 253 R N -0.167 120.376 120.500 0.072 0.000 2.148 253 R HA -0.101 4.239 4.340 0.000 0.000 0.227 253 R C 1.830 178.166 176.300 0.059 0.000 1.103 253 R CA 1.035 57.177 56.100 0.071 0.000 0.983 253 R CB -0.736 29.597 30.300 0.055 0.000 0.874 253 R HN 0.297 nan 8.270 nan 0.000 0.451 254 L N 1.004 122.255 121.223 0.047 0.000 2.072 254 L HA 0.099 4.439 4.340 0.000 0.000 0.205 254 L C 2.339 179.224 176.870 0.025 0.000 1.079 254 L CA 1.648 56.505 54.840 0.028 0.000 0.752 254 L CB -0.410 41.661 42.059 0.021 0.000 0.906 254 L HN 0.223 nan 8.230 nan 0.000 0.436 255 M N -1.931 117.702 119.600 0.055 0.000 2.447 255 M HA 0.021 4.501 4.480 0.000 0.000 0.264 255 M C 1.853 178.218 176.300 0.110 0.000 1.095 255 M CA 1.089 56.431 55.300 0.070 0.000 1.125 255 M CB -0.368 32.300 32.600 0.113 0.000 1.389 255 M HN 0.301 nan 8.290 nan 0.000 0.459 256 G N -0.320 108.578 108.800 0.163 0.000 2.744 256 G HA2 -0.032 3.928 3.960 0.000 0.000 0.211 256 G HA3 -0.032 3.928 3.960 0.000 0.000 0.211 256 G C 1.425 176.434 174.900 0.182 0.000 1.146 256 G CA 0.842 46.125 45.100 0.305 0.000 0.787 256 G HN 0.497 nan 8.290 nan 0.000 0.534 257 E N 1.717 121.951 120.200 0.057 0.000 2.118 257 E HA -0.285 4.065 4.350 0.000 0.000 0.195 257 E C 2.291 178.877 176.600 -0.024 0.000 0.992 257 E CA 1.812 58.231 56.400 0.032 0.000 0.804 257 E CB -0.928 28.775 29.700 0.006 0.000 0.741 257 E HN 0.805 nan 8.360 nan 0.000 0.458 258 Q N -1.392 118.271 119.800 -0.229 0.000 2.226 258 Q HA -0.022 4.318 4.340 0.000 0.000 0.204 258 Q C 1.836 177.589 176.000 -0.411 0.000 0.975 258 Q CA 1.553 57.114 55.803 -0.402 0.000 0.866 258 Q CB -0.438 27.924 28.738 -0.627 0.000 0.915 258 Q HN 0.635 nan 8.270 nan 0.000 0.440 259 F N 0.855 120.874 119.950 0.116 0.000 2.776 259 F HA 0.225 4.752 4.527 0.000 0.000 0.300 259 F C 0.305 176.338 175.800 0.388 0.000 1.116 259 F CA -0.608 57.534 58.000 0.238 0.000 1.375 259 F CB 0.934 40.132 39.000 0.330 0.000 1.109 259 F HN -0.166 nan 8.300 nan 0.000 0.585 260 V N 0.865 121.040 119.914 0.434 0.000 2.398 260 V HA 0.086 4.207 4.120 0.000 0.000 0.286 260 V C 1.119 177.320 176.094 0.179 0.000 1.026 260 V CA -0.172 62.292 62.300 0.273 0.000 0.868 260 V CB 1.334 33.253 31.823 0.160 0.000 0.982 260 V HN 0.326 nan 8.190 nan 0.000 0.443 261 T N 0.879 115.403 114.554 -0.050 0.000 3.014 261 T HA 0.342 4.693 4.350 0.000 0.000 0.263 261 T C 0.773 175.409 174.700 -0.105 0.000 1.078 261 T CA 0.680 62.600 62.100 -0.300 0.000 1.135 261 T CB 0.247 68.894 68.868 -0.368 0.000 0.895 261 T HN 1.155 nan 8.240 nan 0.000 0.480 262 G N -1.175 107.599 108.800 -0.043 0.000 2.368 262 G HA2 0.489 4.449 3.960 0.000 0.000 0.293 262 G HA3 0.489 4.449 3.960 0.000 0.000 0.293 262 G C 0.061 174.948 174.900 -0.022 0.000 1.467 262 G CA 0.221 45.301 45.100 -0.033 0.000 0.804 262 G HN 0.085 nan 8.290 nan 0.000 0.535 263 E N -1.469 118.719 120.200 -0.021 0.000 2.299 263 E HA 0.408 4.758 4.350 0.000 0.000 0.193 263 E C 1.404 177.986 176.600 -0.029 0.000 0.998 263 E CA 1.787 58.178 56.400 -0.015 0.000 0.851 263 E CB 0.003 29.698 29.700 -0.008 0.000 0.795 263 E HN 1.603 nan 8.360 nan 0.000 0.492 264 T N -3.835 110.691 114.554 -0.048 0.000 2.906 264 T HA 0.517 4.867 4.350 0.000 0.000 0.295 264 T C 0.814 175.453 174.700 -0.101 0.000 1.075 264 T CA -0.133 61.930 62.100 -0.062 0.000 1.005 264 T CB 1.518 70.352 68.868 -0.056 0.000 1.136 264 T HN 0.039 nan 8.240 nan 0.000 0.498 265 I N 1.851 122.347 120.570 -0.123 0.000 2.286 265 I HA 0.061 4.231 4.170 0.000 0.000 0.248 265 I C 2.519 178.491 176.117 -0.242 0.000 1.115 265 I CA 1.938 63.111 61.300 -0.211 0.000 1.392 265 I CB -1.038 36.840 38.000 -0.204 0.000 1.065 265 I HN 0.894 nan 8.210 nan 0.000 0.418 266 A N -0.307 122.414 122.820 -0.165 0.000 1.933 266 A HA -0.257 4.063 4.320 0.000 0.000 0.218 266 A C 2.382 179.885 177.584 -0.134 0.000 1.175 266 A CA 1.825 53.774 52.037 -0.146 0.000 0.628 266 A CB -0.810 18.130 19.000 -0.100 0.000 0.814 266 A HN 0.611 nan 8.150 nan 0.000 0.444 267 E N -0.025 120.107 120.200 -0.112 0.000 2.031 267 E HA -0.136 4.214 4.350 0.000 0.000 0.193 267 E C 2.166 178.697 176.600 -0.116 0.000 0.994 267 E CA 1.112 57.456 56.400 -0.093 0.000 0.800 267 E CB -0.289 29.370 29.700 -0.068 0.000 0.752 267 E HN 0.507 nan 8.360 nan 0.000 0.447 268 A N 1.175 123.908 122.820 -0.144 0.000 1.908 268 A HA -0.167 4.153 4.320 0.000 0.000 0.218 268 A C 2.246 179.696 177.584 -0.223 0.000 1.181 268 A CA 1.251 53.195 52.037 -0.154 0.000 0.627 268 A CB -0.726 18.198 19.000 -0.125 0.000 0.818 268 A HN 0.350 nan 8.150 nan 0.000 0.445 269 L N -1.042 119.986 121.223 -0.325 0.000 2.131 269 L HA -0.179 4.161 4.340 0.000 0.000 0.210 269 L C 2.958 179.724 176.870 -0.174 0.000 1.092 269 L CA 0.964 55.620 54.840 -0.305 0.000 0.759 269 L CB -0.373 41.501 42.059 -0.308 0.000 0.903 269 L HN 0.463 nan 8.230 nan 0.000 0.435 270 A N -0.435 122.302 122.820 -0.138 0.000 2.067 270 A HA -0.113 4.207 4.320 0.000 0.000 0.217 270 A C 1.723 179.259 177.584 -0.080 0.000 1.156 270 A CA 0.959 52.941 52.037 -0.091 0.000 0.683 270 A CB -0.554 18.402 19.000 -0.073 0.000 0.808 270 A HN 0.508 nan 8.150 nan 0.000 0.455 271 N N 0.025 118.663 118.700 -0.102 0.000 2.515 271 N HA 0.139 4.879 4.740 0.000 0.000 0.191 271 N C 1.403 176.844 175.510 -0.116 0.000 1.182 271 N CA 0.373 53.370 53.050 -0.088 0.000 0.879 271 N CB 0.069 38.505 38.487 -0.085 0.000 0.984 271 N HN 0.519 nan 8.380 nan 0.000 0.453 272 A N 1.314 124.040 122.820 -0.157 0.000 1.975 272 A HA -0.000 4.320 4.320 0.000 0.000 0.215 272 A C 2.507 180.094 177.584 0.006 0.000 1.170 272 A CA 0.890 52.787 52.037 -0.234 0.000 0.656 272 A CB -0.452 18.417 19.000 -0.217 0.000 0.821 272 A HN 0.371 nan 8.150 nan 0.000 0.449 273 R N 0.254 120.765 120.500 0.019 0.000 2.081 273 R HA -0.118 4.222 4.340 0.000 0.000 0.235 273 R C 2.326 178.683 176.300 0.095 0.000 1.131 273 R CA 2.336 58.474 56.100 0.063 0.000 0.960 273 R CB -1.416 28.905 30.300 0.036 0.000 0.856 273 R HN 0.486 nan 8.270 nan 0.000 0.436 274 K N 0.455 120.902 120.400 0.078 0.000 2.001 274 K HA -0.011 4.309 4.320 0.000 0.000 0.214 274 K C 2.413 179.087 176.600 0.124 0.000 1.050 274 K CA 1.886 58.223 56.287 0.083 0.000 0.934 274 K CB -0.803 31.732 32.500 0.058 0.000 0.718 274 K HN 0.579 nan 8.250 nan 0.000 0.443 275 L N 0.182 121.496 121.223 0.152 0.000 2.156 275 L HA 0.001 4.341 4.340 0.000 0.000 0.208 275 L C 2.778 179.854 176.870 0.343 0.000 1.095 275 L CA 1.511 56.458 54.840 0.178 0.000 0.770 275 L CB -0.401 41.630 42.059 -0.047 0.000 0.914 275 L HN 0.414 nan 8.230 nan 0.000 0.439 276 E N 0.224 120.617 120.200 0.322 0.000 2.204 276 E HA -0.214 4.137 4.350 0.000 0.000 0.194 276 E C 2.315 179.034 176.600 0.198 0.000 0.989 276 E CA 1.100 57.668 56.400 0.280 0.000 0.824 276 E CB 0.050 29.897 29.700 0.245 0.000 0.756 276 E HN 0.594 nan 8.360 nan 0.000 0.477 277 E N 1.752 122.053 120.200 0.168 0.000 2.110 277 E HA -0.215 4.135 4.350 0.000 0.000 0.193 277 E C 1.604 178.284 176.600 0.133 0.000 0.988 277 E CA 1.488 57.964 56.400 0.126 0.000 0.804 277 E CB -0.600 nan 29.700 nan 0.000 0.745 277 E HN 0.211 nan 8.360 nan 0.000 0.458 278 K N -1.659 118.852 120.400 0.186 0.000 2.444 278 K HA 0.320 4.640 4.320 0.000 0.000 0.193 278 K C 1.172 177.848 176.600 0.127 0.000 1.024 278 K CA 0.374 56.770 56.287 0.183 0.000 1.077 278 K CB 0.737 33.404 32.500 0.279 0.000 0.833 278 K HN 0.470 nan 8.250 nan 0.000 0.517 279 G N 1.224 110.100 108.800 0.125 0.000 2.148 279 G HA2 -0.220 3.740 3.960 0.000 0.000 0.203 279 G HA3 -0.220 3.740 3.960 0.000 0.000 0.203 279 G C -0.166 174.693 174.900 -0.069 0.000 0.993 279 G CA -0.664 44.448 45.100 0.020 0.000 0.661 279 G HN 0.127 nan 8.290 nan 0.000 0.518 280 F N 0.754 120.732 119.950 0.046 0.000 2.382 280 F HA 0.748 5.276 4.527 0.000 0.000 0.331 280 F C 1.275 177.079 175.800 0.006 0.000 1.121 280 F CA -0.096 57.895 58.000 -0.015 0.000 1.183 280 F CB 0.795 39.748 39.000 -0.078 0.000 1.207 280 F HN 0.055 nan 8.300 nan 0.000 0.555 281 R N 0.549 121.119 120.500 0.116 0.000 2.875 281 R HA 0.615 4.955 4.340 0.000 0.000 0.251 281 R C -1.769 174.482 176.300 -0.082 0.000 1.123 281 R CA -0.879 55.286 56.100 0.108 0.000 1.064 281 R CB 1.023 31.381 30.300 0.098 0.000 1.205 281 R HN 0.488 nan 8.270 nan 0.000 0.503 282 Y N -1.301 118.984 120.300 -0.026 0.000 2.512 282 Y HA 0.474 5.025 4.550 0.000 0.000 0.348 282 Y C -0.385 175.352 175.900 -0.272 0.000 0.990 282 Y CA -0.607 57.352 58.100 -0.235 0.000 1.033 282 Y CB 2.762 40.913 38.460 -0.516 0.000 1.259 282 Y HN 0.400 nan 8.280 nan 0.000 0.461 283 S N 2.588 118.173 115.700 -0.191 0.000 2.640 283 S HA 0.508 4.979 4.470 0.000 0.000 0.320 283 S C -1.591 172.789 174.600 -0.368 0.000 1.097 283 S CA -0.484 57.619 58.200 -0.163 0.000 1.092 283 S CB -0.056 63.154 63.200 0.017 0.000 0.988 283 S HN 0.489 nan 8.310 nan 0.000 0.470 284 Y N 2.731 122.994 120.300 -0.063 0.000 2.304 284 Y HA 0.381 4.931 4.550 0.000 0.000 0.328 284 Y C 0.536 176.307 175.900 -0.214 0.000 1.123 284 Y CA -0.449 57.565 58.100 -0.144 0.000 1.218 284 Y CB 0.877 39.286 38.460 -0.086 0.000 1.207 284 Y HN 0.589 nan 8.280 nan 0.000 0.495 285 D N 3.223 123.517 120.400 -0.176 0.000 2.471 285 D HA 0.248 4.888 4.640 0.000 0.000 0.245 285 D C -0.994 175.281 176.300 -0.042 0.000 1.116 285 D CA -0.638 53.254 54.000 -0.181 0.000 0.853 285 D CB 0.711 41.200 40.800 -0.519 0.000 1.123 285 D HN 0.259 nan 8.370 nan 0.000 0.540 286 M N 4.414 124.070 119.600 0.095 0.000 2.341 286 M HA 0.185 4.665 4.480 0.000 0.000 0.336 286 M C -0.016 176.273 176.300 -0.019 0.000 1.489 286 M CA -0.240 55.084 55.300 0.041 0.000 1.278 286 M CB -0.178 32.449 32.600 0.044 0.000 1.657 286 M HN 0.456 nan 8.290 nan 0.000 0.455 287 L N 2.620 123.815 121.223 -0.046 0.000 2.554 287 L HA 0.276 4.616 4.340 0.000 0.000 0.293 287 L C 1.028 177.868 176.870 -0.050 0.000 1.252 287 L CA 0.550 55.360 54.840 -0.049 0.000 0.862 287 L CB -0.103 41.935 42.059 -0.035 0.000 1.113 287 L HN 0.909 nan 8.230 nan 0.000 0.510 288 G N 1.972 110.724 108.800 -0.080 0.000 2.653 288 G HA2 0.247 4.207 3.960 0.000 0.000 0.656 288 G HA3 0.247 4.207 3.960 0.000 0.000 0.656 288 G C -1.271 173.363 174.900 -0.444 0.000 1.419 288 G CA -0.313 44.661 45.100 -0.210 0.000 0.862 288 G HN 0.876 nan 8.290 nan 0.000 0.639 289 E N 0.376 120.428 120.200 -0.247 0.000 2.439 289 E HA 0.686 5.037 4.350 0.000 0.000 0.279 289 E C 0.432 177.053 176.600 0.035 0.000 1.077 289 E CA -0.652 55.667 56.400 -0.134 0.000 0.849 289 E CB 1.079 30.797 29.700 0.028 0.000 1.408 289 E HN 2.485 nan 8.360 nan 0.000 0.457 290 A N -0.355 122.516 122.820 0.085 0.000 2.560 290 A HA -0.030 4.290 4.320 0.000 0.000 0.299 290 A C 0.646 178.336 177.584 0.176 0.000 1.484 290 A CA 0.813 52.939 52.037 0.148 0.000 0.749 290 A CB -2.332 16.756 19.000 0.147 0.000 1.072 290 A HN 1.479 nan 8.150 nan 0.000 0.426 291 A N -0.396 122.556 122.820 0.219 0.000 2.566 291 A HA 0.397 4.717 4.320 0.000 0.000 0.245 291 A C 1.272 178.940 177.584 0.140 0.000 1.056 291 A CA 0.792 52.977 52.037 0.246 0.000 0.757 291 A CB -0.057 19.107 19.000 0.272 0.000 0.979 291 A HN 1.202 nan 8.150 nan 0.000 0.508 292 L N 2.107 123.390 121.223 0.100 0.000 2.354 292 L HA 0.098 4.438 4.340 0.000 0.000 0.212 292 L C 1.501 178.389 176.870 0.030 0.000 1.091 292 L CA 1.143 56.021 54.840 0.063 0.000 0.828 292 L CB -0.416 41.676 42.059 0.055 0.000 0.973 292 L HN 0.909 nan 8.230 nan 0.000 0.461 293 T N -4.836 109.727 114.554 0.015 0.000 2.907 293 T HA 0.613 4.963 4.350 0.000 0.000 0.290 293 T C 0.893 175.579 174.700 -0.023 0.000 1.066 293 T CA -0.151 61.943 62.100 -0.010 0.000 1.012 293 T CB 2.322 71.181 68.868 -0.015 0.000 1.184 293 T HN -0.046 nan 8.240 nan 0.000 0.522 294 A N 0.799 123.601 122.820 -0.031 0.000 1.908 294 A HA 0.212 4.532 4.320 0.000 0.000 0.218 294 A C 2.562 180.128 177.584 -0.030 0.000 1.181 294 A CA 2.078 54.096 52.037 -0.033 0.000 0.627 294 A CB -1.547 17.438 19.000 -0.025 0.000 0.818 294 A HN 1.323 nan 8.150 nan 0.000 0.445 295 A N 0.027 122.824 122.820 -0.038 0.000 1.877 295 A HA -0.177 4.143 4.320 0.000 0.000 0.216 295 A C 1.781 179.307 177.584 -0.097 0.000 1.186 295 A CA 1.888 53.892 52.037 -0.056 0.000 0.620 295 A CB -0.621 18.347 19.000 -0.053 0.000 0.822 295 A HN 0.450 nan 8.150 nan 0.000 0.443 296 D N 0.157 120.492 120.400 -0.107 0.000 2.123 296 D HA -0.087 4.553 4.640 0.000 0.000 0.196 296 D C 2.188 178.369 176.300 -0.198 0.000 0.992 296 D CA 1.660 55.535 54.000 -0.208 0.000 0.833 296 D CB -0.435 40.297 40.800 -0.113 0.000 0.954 296 D HN 0.432 nan 8.370 nan 0.000 0.455 297 A N 0.417 123.229 122.820 -0.014 0.000 1.969 297 A HA -0.195 4.125 4.320 0.000 0.000 0.218 297 A C 2.136 179.755 177.584 0.058 0.000 1.169 297 A CA 1.636 53.730 52.037 0.095 0.000 0.635 297 A CB -0.503 18.543 19.000 0.077 0.000 0.810 297 A HN 0.140 nan 8.150 nan 0.000 0.445 298 Q N 0.115 119.913 119.800 -0.004 0.000 2.050 298 Q HA -0.031 4.309 4.340 0.000 0.000 0.202 298 Q C 2.063 178.036 176.000 -0.046 0.000 0.980 298 Q CA 2.279 58.076 55.803 -0.010 0.000 0.840 298 Q CB -0.640 28.085 28.738 -0.021 0.000 0.898 298 Q HN 0.522 nan 8.270 nan 0.000 0.424 299 A N -0.675 122.066 122.820 -0.132 0.000 1.940 299 A HA -0.184 4.136 4.320 0.000 0.000 0.219 299 A C 1.861 179.330 177.584 -0.192 0.000 1.176 299 A CA 1.587 53.509 52.037 -0.193 0.000 0.631 299 A CB -0.995 17.828 19.000 -0.296 0.000 0.814 299 A HN 0.544 nan 8.150 nan 0.000 0.446 300 Y N -1.358 118.865 120.300 -0.129 0.000 2.200 300 Y HA -0.157 4.393 4.550 0.000 0.000 0.290 300 Y C 2.428 178.164 175.900 -0.273 0.000 1.137 300 Y CA 1.465 59.398 58.100 -0.278 0.000 1.163 300 Y CB -0.714 37.588 38.460 -0.263 0.000 0.988 300 Y HN 0.376 nan 8.280 nan 0.000 0.518 301 M N -0.380 119.273 119.600 0.088 0.000 2.108 301 M HA -0.160 4.320 4.480 0.000 0.000 0.261 301 M C 1.924 178.286 176.300 0.103 0.000 1.066 301 M CA 1.616 57.002 55.300 0.143 0.000 1.107 301 M CB -0.812 31.855 32.600 0.112 0.000 1.356 301 M HN 0.019 nan 8.290 nan 0.000 0.406 302 V N -0.878 119.060 119.914 0.040 0.000 2.379 302 V HA -0.172 3.948 4.120 0.000 0.000 0.245 302 V C 2.483 178.596 176.094 0.031 0.000 1.044 302 V CA 1.804 64.126 62.300 0.035 0.000 1.036 302 V CB -0.994 30.833 31.823 0.007 0.000 0.664 302 V HN 0.698 nan 8.190 nan 0.000 0.453 303 S N -0.882 114.809 115.700 -0.015 0.000 2.382 303 S HA -0.218 4.252 4.470 0.000 0.000 0.228 303 S C 2.020 176.637 174.600 0.029 0.000 1.027 303 S CA 1.586 59.770 58.200 -0.028 0.000 0.991 303 S CB -0.377 62.779 63.200 -0.073 0.000 0.823 303 S HN 0.577 nan 8.310 nan 0.000 0.469 304 Y N 1.872 122.197 120.300 0.043 0.000 2.200 304 Y HA 0.006 4.557 4.550 0.000 0.000 0.290 304 Y C 2.726 178.614 175.900 -0.020 0.000 1.137 304 Y CA 1.113 59.220 58.100 0.012 0.000 1.163 304 Y CB -1.084 37.386 38.460 0.017 0.000 0.988 304 Y HN 0.413 nan 8.280 nan 0.000 0.518 305 Q N -0.253 119.639 119.800 0.152 0.000 2.061 305 Q HA -0.299 4.042 4.340 0.000 0.000 0.204 305 Q C 2.344 178.363 176.000 0.031 0.000 0.984 305 Q CA 1.907 57.735 55.803 0.042 0.000 0.846 305 Q CB -0.327 28.454 28.738 0.072 0.000 0.902 305 Q HN 0.548 nan 8.270 nan 0.000 0.421 306 Q N -0.030 119.827 119.800 0.095 0.000 2.096 306 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 306 Q C 1.965 177.987 176.000 0.037 0.000 0.982 306 Q CA 1.443 57.307 55.803 0.102 0.000 0.850 306 Q CB -0.121 28.649 28.738 0.055 0.000 0.901 306 Q HN 0.397 nan 8.270 nan 0.000 0.422 307 A N 0.602 123.433 122.820 0.017 0.000 1.898 307 A HA -0.142 4.178 4.320 0.000 0.000 0.216 307 A C 1.970 179.507 177.584 -0.078 0.000 1.181 307 A CA 1.175 53.196 52.037 -0.027 0.000 0.620 307 A CB -0.577 18.447 19.000 0.040 0.000 0.819 307 A HN 0.462 nan 8.150 nan 0.000 0.442 308 I N -1.097 119.424 120.570 -0.082 0.000 2.179 308 I HA -0.268 3.902 4.170 0.000 0.000 0.242 308 I C 2.519 178.436 176.117 -0.333 0.000 1.088 308 I CA 1.354 62.555 61.300 -0.164 0.000 1.357 308 I CB -0.622 37.292 38.000 -0.142 0.000 1.051 308 I HN 0.393 nan 8.210 nan 0.000 0.409 309 H N 0.772 119.730 119.070 -0.187 0.000 2.289 309 H HA -0.161 4.395 4.556 0.000 0.000 0.296 309 H C 2.356 177.450 175.328 -0.390 0.000 1.091 309 H CA 1.865 57.730 56.048 -0.304 0.000 1.274 309 H CB -0.438 29.296 29.762 -0.047 0.000 1.364 309 H HN 0.382 nan 8.280 nan 0.000 0.490 310 A N 0.626 123.376 122.820 -0.118 0.000 1.930 310 A HA -0.093 4.227 4.320 0.000 0.000 0.217 310 A C 2.734 180.184 177.584 -0.224 0.000 1.175 310 A CA 1.288 53.230 52.037 -0.158 0.000 0.627 310 A CB -0.671 18.246 19.000 -0.138 0.000 0.815 310 A HN 0.294 nan 8.150 nan 0.000 0.443 311 I N -0.445 119.979 120.570 -0.243 0.000 2.233 311 I HA -0.123 4.047 4.170 0.000 0.000 0.243 311 I C 2.730 178.731 176.117 -0.195 0.000 1.093 311 I CA 1.052 62.237 61.300 -0.192 0.000 1.380 311 I CB -0.634 37.308 38.000 -0.096 0.000 1.067 311 I HN 0.360 nan 8.210 nan 0.000 0.413 312 G N 0.846 109.417 108.800 -0.382 0.000 2.469 312 G HA2 -0.271 3.690 3.960 0.000 0.000 0.220 312 G HA3 -0.271 3.690 3.960 0.000 0.000 0.220 312 G C 1.747 176.463 174.900 -0.306 0.000 1.136 312 G CA 0.904 45.707 45.100 -0.494 0.000 0.759 312 G HN 0.304 nan 8.290 nan 0.000 0.562 313 K N 0.311 120.509 120.400 -0.337 0.000 2.062 313 K HA 0.189 4.510 4.320 0.000 0.000 0.205 313 K C 2.926 179.497 176.600 -0.048 0.000 1.051 313 K CA 0.897 57.126 56.287 -0.097 0.000 0.941 313 K CB -0.175 32.280 32.500 -0.075 0.000 0.719 313 K HN 0.251 nan 8.250 nan 0.000 0.440 314 A N 0.589 123.362 122.820 -0.078 0.000 1.969 314 A HA -0.166 4.154 4.320 0.000 0.000 0.218 314 A C 2.139 179.727 177.584 0.006 0.000 1.169 314 A CA 1.915 53.930 52.037 -0.038 0.000 0.635 314 A CB -0.674 18.289 19.000 -0.062 0.000 0.810 314 A HN 0.290 nan 8.150 nan 0.000 0.445 315 S N 0.119 115.827 115.700 0.013 0.000 2.359 315 S HA -0.254 4.216 4.470 0.000 0.000 0.224 315 S C 1.125 175.766 174.600 0.067 0.000 1.035 315 S CA 1.434 59.668 58.200 0.057 0.000 1.018 315 S CB -0.614 62.630 63.200 0.072 0.000 0.876 315 S HN 0.736 nan 8.310 nan 0.000 0.448 316 N N 0.145 118.889 118.700 0.072 0.000 2.725 316 N HA -0.206 4.535 4.740 0.000 0.000 0.251 316 N C 0.585 176.143 175.510 0.080 0.000 1.031 316 N CA 0.682 53.779 53.050 0.078 0.000 0.720 316 N CB -1.555 36.964 38.487 0.054 0.000 0.930 316 N HN 0.952 nan 8.380 nan 0.000 0.543 317 G N -0.187 108.672 108.800 0.097 0.000 2.159 317 G HA2 -0.343 3.617 3.960 0.000 0.000 0.256 317 G HA3 -0.343 3.617 3.960 0.000 0.000 0.256 317 G C 0.813 175.763 174.900 0.083 0.000 0.977 317 G CA 0.638 45.791 45.100 0.088 0.000 0.652 317 G HN 0.605 nan 8.290 nan 0.000 0.531 318 R N 0.455 121.005 120.500 0.083 0.000 2.193 318 R HA 0.309 4.650 4.340 0.000 0.000 0.229 318 R C 1.793 178.144 176.300 0.086 0.000 1.110 318 R CA 1.317 57.466 56.100 0.081 0.000 0.988 318 R CB -0.225 30.125 30.300 0.084 0.000 0.871 318 R HN 1.647 nan 8.270 nan 0.000 0.458 319 G N 0.080 108.933 108.800 0.089 0.000 2.685 319 G HA2 -0.242 3.718 3.960 0.000 0.000 0.387 319 G HA3 -0.242 3.718 3.960 0.000 0.000 0.387 319 G C 0.515 175.426 174.900 0.019 0.000 1.324 319 G CA -0.227 44.918 45.100 0.075 0.000 0.878 319 G HN 0.255 nan 8.290 nan 0.000 0.527 320 I N -2.902 117.598 120.570 -0.116 0.000 2.546 320 I HA 0.089 4.259 4.170 0.000 0.000 0.255 320 I C 2.148 178.063 176.117 -0.338 0.000 1.163 320 I CA 1.398 62.528 61.300 -0.282 0.000 1.457 320 I CB -0.327 37.334 38.000 -0.565 0.000 1.092 320 I HN 0.512 nan 8.210 nan 0.000 0.434 321 Y N 1.518 121.748 120.300 -0.116 0.000 2.230 321 Y HA 0.092 4.642 4.550 0.000 0.000 0.294 321 Y C 2.707 178.591 175.900 -0.028 0.000 1.120 321 Y CA 0.696 58.709 58.100 -0.145 0.000 1.129 321 Y CB -0.123 38.183 38.460 -0.256 0.000 1.040 321 Y HN 0.029 nan 8.280 nan 0.000 0.519 322 E N 0.350 120.644 120.200 0.157 0.000 2.122 322 E HA 0.061 4.411 4.350 0.000 0.000 0.190 322 E C 1.195 177.863 176.600 0.114 0.000 0.977 322 E CA 0.646 57.119 56.400 0.122 0.000 0.820 322 E CB -0.435 29.326 29.700 0.103 0.000 0.770 322 E HN 0.340 nan 8.360 nan 0.000 0.462 323 G N 2.838 111.698 108.800 0.101 0.000 2.528 323 G HA2 0.325 4.285 3.960 0.000 0.000 0.289 323 G HA3 0.325 4.285 3.960 0.000 0.000 0.289 323 G C -2.435 172.537 174.900 0.120 0.000 1.192 323 G CA -1.051 44.115 45.100 0.110 0.000 0.921 323 G HN -0.090 nan 8.290 nan 0.000 0.512 324 P HA 0.289 nan 4.420 nan 0.000 0.272 324 P C 0.149 177.537 177.300 0.147 0.000 1.223 324 P CA 0.064 63.275 63.100 0.185 0.000 0.784 324 P CB 1.508 33.386 31.700 0.297 0.000 0.923 325 G N 0.769 109.649 108.800 0.134 0.000 3.042 325 G HA2 0.664 4.624 3.960 0.000 0.000 0.278 325 G HA3 0.664 4.624 3.960 0.000 0.000 0.278 325 G C -1.538 173.438 174.900 0.128 0.000 1.371 325 G CA -0.800 44.365 45.100 0.109 0.000 1.009 325 G HN 0.571 nan 8.290 nan 0.000 0.523 326 I N -0.378 120.243 120.570 0.085 0.000 2.646 326 I HA 0.623 4.794 4.170 0.000 0.000 0.299 326 I C -0.526 175.600 176.117 0.015 0.000 1.036 326 I CA -0.670 60.666 61.300 0.059 0.000 1.074 326 I CB 2.245 40.261 38.000 0.028 0.000 1.258 326 I HN 0.413 nan 8.210 nan 0.000 0.430 327 S N 7.020 122.719 115.700 -0.003 0.000 2.503 327 S HA 0.678 5.148 4.470 0.000 0.000 0.301 327 S C -0.635 173.918 174.600 -0.077 0.000 1.087 327 S CA -0.600 57.610 58.200 0.018 0.000 1.042 327 S CB 1.563 64.864 63.200 0.168 0.000 1.043 327 S HN 0.516 nan 8.310 nan 0.000 0.489 328 I N -0.760 119.724 120.570 -0.143 0.000 2.689 328 I HA 0.640 4.810 4.170 0.000 0.000 0.299 328 I C -1.091 174.975 176.117 -0.085 0.000 1.059 328 I CA -0.974 60.134 61.300 -0.320 0.000 1.055 328 I CB 1.855 39.480 38.000 -0.625 0.000 1.243 328 I HN 0.280 nan 8.210 nan 0.000 0.425 329 K N 5.008 125.424 120.400 0.026 0.000 2.263 329 K HA 0.436 4.756 4.320 0.000 0.000 0.272 329 K C 0.579 177.145 176.600 -0.057 0.000 1.033 329 K CA -0.615 55.682 56.287 0.016 0.000 0.884 329 K CB 2.262 34.794 32.500 0.053 0.000 1.107 329 K HN 0.683 nan 8.250 nan 0.000 0.460 330 L N 1.361 122.484 121.223 -0.166 0.000 2.081 330 L HA -0.278 4.063 4.340 0.000 0.000 0.212 330 L C 2.402 178.904 176.870 -0.614 0.000 1.080 330 L CA 1.657 56.278 54.840 -0.366 0.000 0.754 330 L CB -0.588 41.197 42.059 -0.457 0.000 0.893 330 L HN 0.704 nan 8.230 nan 0.000 0.433 331 S N 0.066 115.435 115.700 -0.551 0.000 2.442 331 S HA -0.141 4.329 4.470 0.000 0.000 0.236 331 S C 2.019 176.580 174.600 -0.065 0.000 1.007 331 S CA 0.826 58.864 58.200 -0.269 0.000 0.965 331 S CB -0.311 62.936 63.200 0.077 0.000 0.773 331 S HN 0.372 nan 8.310 nan 0.000 0.504 332 A N 0.953 123.721 122.820 -0.087 0.000 2.119 332 A HA 0.391 4.711 4.320 0.000 0.000 0.216 332 A C 2.064 179.733 177.584 0.141 0.000 1.152 332 A CA 0.652 52.632 52.037 -0.096 0.000 0.708 332 A CB -0.433 18.336 19.000 -0.385 0.000 0.805 332 A HN 0.581 nan 8.150 nan 0.000 0.460 333 L N -2.023 119.260 121.223 0.101 0.000 2.590 333 L HA 0.206 4.546 4.340 0.000 0.000 0.227 333 L C 0.467 177.448 176.870 0.186 0.000 1.099 333 L CA 0.035 54.968 54.840 0.154 0.000 0.872 333 L CB 0.145 42.272 42.059 0.113 0.000 1.088 333 L HN 0.493 nan 8.230 nan 0.000 0.479 334 H N 0.728 119.833 119.070 0.058 0.000 2.782 334 H HA 0.353 4.909 4.556 0.000 0.000 0.347 334 H C -2.665 172.750 175.328 0.145 0.000 1.038 334 H CA -2.103 54.010 56.048 0.108 0.000 1.255 334 H CB 2.221 32.075 29.762 0.153 0.000 1.623 334 H HN -0.261 nan 8.280 nan 0.000 0.525 335 P HA 0.084 nan 4.420 nan 0.000 0.271 335 P C -0.372 176.916 177.300 -0.020 0.000 1.220 335 P CA -0.066 62.983 63.100 -0.084 0.000 0.768 335 P CB 0.663 32.288 31.700 -0.125 0.000 0.848 336 R N 0.923 121.477 120.500 0.090 0.000 3.525 336 R HA -0.248 4.092 4.340 0.000 0.000 0.276 336 R C 0.890 177.318 176.300 0.214 0.000 1.116 336 R CA 0.493 56.667 56.100 0.124 0.000 0.745 336 R CB -3.328 27.014 30.300 0.070 0.000 1.185 336 R HN 0.609 nan 8.270 nan 0.000 0.454 337 Y N 1.729 122.124 120.300 0.158 0.000 2.132 337 Y HA -0.358 4.192 4.550 0.000 0.000 0.280 337 Y C 2.356 178.331 175.900 0.125 0.000 1.193 337 Y CA 2.587 60.807 58.100 0.201 0.000 1.157 337 Y CB -0.391 38.169 38.460 0.167 0.000 0.966 337 Y HN 0.427 nan 8.280 nan 0.000 0.511 338 S N -0.397 115.362 115.700 0.099 0.000 2.402 338 S HA -0.222 4.248 4.470 0.000 0.000 0.233 338 S C 1.829 176.388 174.600 -0.069 0.000 1.030 338 S CA 1.647 59.831 58.200 -0.027 0.000 1.003 338 S CB -0.380 62.846 63.200 0.042 0.000 0.813 338 S HN 0.602 nan 8.310 nan 0.000 0.477 339 R N 0.678 121.170 120.500 -0.012 0.000 2.476 339 R HA 0.464 4.804 4.340 0.000 0.000 0.276 339 R C 0.385 176.694 176.300 0.015 0.000 0.941 339 R CA 0.288 56.386 56.100 -0.004 0.000 1.088 339 R CB 0.544 30.857 30.300 0.022 0.000 1.216 339 R HN 0.438 nan 8.270 nan 0.000 0.533 340 A N 1.587 124.427 122.820 0.032 0.000 2.445 340 A HA 0.083 4.403 4.320 0.000 0.000 0.242 340 A C 0.245 177.854 177.584 0.042 0.000 1.075 340 A CA 0.050 52.148 52.037 0.101 0.000 0.777 340 A CB 0.403 19.554 19.000 0.251 0.000 1.013 340 A HN 0.072 nan 8.150 nan 0.000 0.493 341 Q N 0.298 120.143 119.800 0.075 0.000 2.312 341 Q HA 0.102 4.442 4.340 0.000 0.000 0.236 341 Q C 0.663 176.712 176.000 0.082 0.000 0.965 341 Q CA -0.234 55.616 55.803 0.078 0.000 0.894 341 Q CB 0.625 29.415 28.738 0.087 0.000 1.225 341 Q HN 0.857 nan 8.270 nan 0.000 0.478 342 Y N 2.448 122.742 120.300 -0.011 0.000 2.102 342 Y HA -0.338 4.212 4.550 0.000 0.000 0.280 342 Y C 1.313 177.207 175.900 -0.009 0.000 1.178 342 Y CA 2.434 60.525 58.100 -0.016 0.000 1.146 342 Y CB 0.271 38.721 38.460 -0.018 0.000 0.968 342 Y HN 0.636 nan 8.280 nan 0.000 0.504 343 D N -0.330 120.172 120.400 0.169 0.000 2.117 343 D HA -0.145 4.495 4.640 0.000 0.000 0.198 343 D C 2.253 178.548 176.300 -0.009 0.000 0.982 343 D CA 1.164 55.215 54.000 0.086 0.000 0.828 343 D CB -0.269 40.612 40.800 0.135 0.000 0.967 343 D HN 0.394 nan 8.370 nan 0.000 0.464 344 R N 0.453 120.968 120.500 0.024 0.000 2.115 344 R HA -0.028 4.312 4.340 0.000 0.000 0.226 344 R C 2.330 178.602 176.300 -0.048 0.000 1.100 344 R CA 0.339 56.477 56.100 0.062 0.000 0.980 344 R CB -0.334 30.065 30.300 0.165 0.000 0.875 344 R HN 0.114 nan 8.270 nan 0.000 0.445 345 V N 1.139 120.918 119.914 -0.225 0.000 2.358 345 V HA -0.263 3.857 4.120 0.000 0.000 0.246 345 V C 2.458 178.421 176.094 -0.217 0.000 1.047 345 V CA 1.471 63.534 62.300 -0.395 0.000 1.035 345 V CB -0.303 31.348 31.823 -0.287 0.000 0.658 345 V HN 0.223 nan 8.190 nan 0.000 0.452 346 M N -0.493 118.952 119.600 -0.259 0.000 2.086 346 M HA -0.145 4.335 4.480 0.000 0.000 0.261 346 M C 2.145 178.431 176.300 -0.024 0.000 1.067 346 M CA 1.590 56.776 55.300 -0.191 0.000 1.116 346 M CB -1.253 31.136 32.600 -0.353 0.000 1.348 346 M HN 0.420 nan 8.290 nan 0.000 0.407 347 E N -0.449 119.743 120.200 -0.014 0.000 2.150 347 E HA -0.167 4.183 4.350 0.000 0.000 0.193 347 E C 1.795 178.447 176.600 0.086 0.000 0.985 347 E CA 1.089 57.517 56.400 0.047 0.000 0.814 347 E CB 0.147 29.876 29.700 0.049 0.000 0.752 347 E HN 0.609 nan 8.360 nan 0.000 0.466 348 E N -0.071 120.187 120.200 0.097 0.000 2.279 348 E HA 0.078 4.428 4.350 0.000 0.000 0.199 348 E C 2.084 178.777 176.600 0.156 0.000 0.893 348 E CA -0.144 56.350 56.400 0.156 0.000 0.978 348 E CB 0.079 29.949 29.700 0.283 0.000 0.964 348 E HN 0.068 nan 8.360 nan 0.000 0.486 349 L N 0.711 121.988 121.223 0.091 0.000 2.005 349 L HA -0.151 4.190 4.340 0.000 0.000 0.207 349 L C 2.557 179.466 176.870 0.066 0.000 1.072 349 L CA 1.280 56.165 54.840 0.075 0.000 0.744 349 L CB -0.205 41.831 42.059 -0.039 0.000 0.895 349 L HN 0.181 nan 8.230 nan 0.000 0.433 350 Y N 1.266 121.552 120.300 -0.023 0.000 2.114 350 Y HA -0.236 4.314 4.550 0.000 0.000 0.282 350 Y C -0.631 175.278 175.900 0.014 0.000 1.165 350 Y CA 2.084 60.179 58.100 -0.009 0.000 1.148 350 Y CB -1.419 37.023 38.460 -0.029 0.000 0.972 350 Y HN 0.206 nan 8.280 nan 0.000 0.504 351 P HA -0.148 nan 4.420 nan 0.000 0.218 351 P C 1.073 178.309 177.300 -0.106 0.000 1.148 351 P CA 2.050 65.112 63.100 -0.063 0.000 0.822 351 P CB -0.064 31.668 31.700 0.053 0.000 0.784 352 R N -1.184 119.283 120.500 -0.055 0.000 2.090 352 R HA -0.047 4.293 4.340 0.000 0.000 0.228 352 R C 2.187 178.435 176.300 -0.086 0.000 1.110 352 R CA 0.806 56.886 56.100 -0.033 0.000 0.973 352 R CB -1.154 29.167 30.300 0.035 0.000 0.869 352 R HN 0.163 nan 8.270 nan 0.000 0.440 353 L N 1.761 122.896 121.223 -0.147 0.000 2.017 353 L HA -0.166 4.175 4.340 0.000 0.000 0.208 353 L C 2.257 178.987 176.870 -0.233 0.000 1.073 353 L CA 1.887 56.626 54.840 -0.169 0.000 0.745 353 L CB -0.463 41.502 42.059 -0.157 0.000 0.894 353 L HN -0.027 nan 8.230 nan 0.000 0.432 354 K N -1.110 119.032 120.400 -0.430 0.000 2.074 354 K HA -0.230 4.090 4.320 0.000 0.000 0.209 354 K C 2.328 178.822 176.600 -0.177 0.000 1.048 354 K CA 1.875 57.947 56.287 -0.358 0.000 0.926 354 K CB -0.443 31.770 32.500 -0.477 0.000 0.713 354 K HN 0.421 nan 8.250 nan 0.000 0.444 355 S N 0.142 115.756 115.700 -0.143 0.000 2.368 355 S HA -0.031 4.439 4.470 0.000 0.000 0.224 355 S C 1.859 176.413 174.600 -0.078 0.000 1.029 355 S CA 0.991 59.139 58.200 -0.086 0.000 0.988 355 S CB -0.220 62.950 63.200 -0.051 0.000 0.838 355 S HN 0.384 nan 8.310 nan 0.000 0.462 356 L N 0.746 121.924 121.223 -0.074 0.000 2.141 356 L HA -0.048 4.292 4.340 0.000 0.000 0.209 356 L C 2.667 179.493 176.870 -0.073 0.000 1.094 356 L CA 1.325 56.124 54.840 -0.068 0.000 0.763 356 L CB -0.893 41.121 42.059 -0.075 0.000 0.908 356 L HN 0.331 nan 8.230 nan 0.000 0.437 357 T N 0.130 114.640 114.554 -0.073 0.000 2.812 357 T HA -0.069 4.281 4.350 0.000 0.000 0.264 357 T C 2.005 176.620 174.700 -0.142 0.000 1.042 357 T CA 0.913 62.989 62.100 -0.041 0.000 1.140 357 T CB -0.130 68.742 68.868 0.006 0.000 0.870 357 T HN 0.172 nan 8.240 nan 0.000 0.445 358 L N 0.445 121.577 121.223 -0.152 0.000 2.042 358 L HA -0.082 4.258 4.340 0.000 0.000 0.210 358 L C 2.482 179.214 176.870 -0.231 0.000 1.076 358 L CA 0.897 55.612 54.840 -0.208 0.000 0.749 358 L CB -0.604 41.370 42.059 -0.142 0.000 0.893 358 L HN 0.230 nan 8.230 nan 0.000 0.432 359 L N 0.274 121.404 121.223 -0.155 0.000 2.046 359 L HA -0.170 4.170 4.340 0.000 0.000 0.208 359 L C 2.677 179.495 176.870 -0.087 0.000 1.077 359 L CA 2.042 56.809 54.840 -0.122 0.000 0.747 359 L CB -0.690 41.310 42.059 -0.098 0.000 0.896 359 L HN 0.157 nan 8.230 nan 0.000 0.432 360 A N -0.729 122.036 122.820 -0.093 0.000 1.933 360 A HA -0.230 4.090 4.320 0.000 0.000 0.218 360 A C 2.523 180.000 177.584 -0.179 0.000 1.175 360 A CA 1.686 53.717 52.037 -0.011 0.000 0.628 360 A CB -0.650 18.406 19.000 0.094 0.000 0.814 360 A HN 0.453 nan 8.150 nan 0.000 0.444 361 R N -0.221 119.873 120.500 -0.676 0.000 2.115 361 R HA -0.106 4.234 4.340 0.000 0.000 0.226 361 R C 2.059 177.972 176.300 -0.644 0.000 1.100 361 R CA 1.656 56.971 56.100 -1.307 0.000 0.980 361 R CB -0.343 28.969 30.300 -1.646 0.000 0.875 361 R HN 0.719 nan 8.270 nan 0.000 0.445 362 Q N -1.029 118.518 119.800 -0.421 0.000 2.170 362 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 362 Q C 1.170 176.975 176.000 -0.324 0.000 0.976 362 Q CA 1.587 57.170 55.803 -0.366 0.000 0.858 362 Q CB 0.016 28.512 28.738 -0.404 0.000 0.907 362 Q HN 0.464 nan 8.270 nan 0.000 0.433 363 Y N -0.151 120.079 120.300 -0.115 0.000 2.466 363 Y HA -0.004 4.546 4.550 0.000 0.000 0.272 363 Y C 0.054 175.963 175.900 0.015 0.000 1.169 363 Y CA 0.010 58.089 58.100 -0.034 0.000 1.285 363 Y CB 0.585 39.036 38.460 -0.014 0.000 1.078 363 Y HN 0.060 nan 8.280 nan 0.000 0.523 364 D N 1.268 121.744 120.400 0.128 0.000 2.689 364 D HA -0.206 4.435 4.640 0.000 0.000 0.237 364 D C -0.542 175.953 176.300 0.325 0.000 1.148 364 D CA 0.717 54.892 54.000 0.290 0.000 0.656 364 D CB -1.228 39.708 40.800 0.227 0.000 1.050 364 D HN 0.551 nan 8.370 nan 0.000 0.426 365 I N -3.062 117.719 120.570 0.351 0.000 2.693 365 I HA 0.779 4.949 4.170 0.000 0.000 0.303 365 I C 1.065 177.356 176.117 0.290 0.000 1.025 365 I CA -0.866 60.582 61.300 0.246 0.000 1.086 365 I CB 1.973 40.071 38.000 0.162 0.000 1.268 365 I HN 0.029 nan 8.210 nan 0.000 0.440 366 G N 4.315 113.175 108.800 0.099 0.000 2.441 366 G HA2 0.427 4.387 3.960 0.000 0.000 0.243 366 G HA3 0.427 4.387 3.960 0.000 0.000 0.243 366 G C -0.800 174.154 174.900 0.091 0.000 1.281 366 G CA -0.428 44.680 45.100 0.013 0.000 0.854 366 G HN 0.768 nan 8.290 nan 0.000 0.560 367 I N 1.735 122.360 120.570 0.092 0.000 2.468 367 I HA 0.314 4.484 4.170 0.000 0.000 0.284 367 I C -0.986 175.163 176.117 0.053 0.000 1.038 367 I CA -0.966 60.384 61.300 0.083 0.000 1.083 367 I CB 1.558 39.634 38.000 0.126 0.000 1.223 367 I HN 0.478 nan 8.210 nan 0.000 0.443 368 N N 7.015 125.736 118.700 0.036 0.000 2.421 368 N HA 0.499 5.239 4.740 0.000 0.000 0.285 368 N C -1.182 174.343 175.510 0.025 0.000 1.027 368 N CA -0.462 52.615 53.050 0.045 0.000 0.918 368 N CB 1.392 39.913 38.487 0.057 0.000 1.152 368 N HN 0.526 nan 8.380 nan 0.000 0.485 369 I N 2.522 123.117 120.570 0.041 0.000 2.301 369 I HA 0.155 4.325 4.170 0.000 0.000 0.292 369 I C -0.135 175.916 176.117 -0.110 0.000 1.046 369 I CA -0.668 60.631 61.300 -0.002 0.000 1.282 369 I CB 0.534 38.606 38.000 0.120 0.000 1.409 369 I HN 0.463 nan 8.210 nan 0.000 0.484 370 D N 5.279 125.646 120.400 -0.055 0.000 2.400 370 D HA 0.269 4.909 4.640 0.000 0.000 0.238 370 D C 0.152 176.387 176.300 -0.108 0.000 1.157 370 D CA 0.182 54.155 54.000 -0.044 0.000 0.889 370 D CB 1.060 41.901 40.800 0.068 0.000 1.199 370 D HN 0.558 nan 8.370 nan 0.000 0.436 371 A N 2.051 124.810 122.820 -0.103 0.000 2.301 371 A HA 0.447 4.767 4.320 0.000 0.000 0.312 371 A C 0.383 177.980 177.584 0.021 0.000 1.182 371 A CA -0.436 51.546 52.037 -0.091 0.000 0.826 371 A CB 0.793 19.727 19.000 -0.109 0.000 1.134 371 A HN 0.555 nan 8.150 nan 0.000 0.501 372 E N 0.945 121.104 120.200 -0.067 0.000 3.846 372 E HA 0.309 4.659 4.350 0.000 0.000 0.262 372 E C -0.734 175.537 176.600 -0.547 0.000 0.786 372 E CA -0.768 55.422 56.400 -0.349 0.000 1.620 372 E CB 0.133 29.749 29.700 -0.140 0.000 1.928 372 E HN 0.735 nan 8.360 nan 0.000 0.410 373 E N 0.848 120.751 120.200 -0.495 0.000 2.390 373 E HA 0.013 4.363 4.350 0.000 0.000 0.261 373 E C 0.745 177.287 176.600 -0.098 0.000 1.076 373 E CA 0.245 56.457 56.400 -0.313 0.000 0.905 373 E CB 0.809 30.395 29.700 -0.190 0.000 0.984 373 E HN 0.395 nan 8.360 nan 0.000 0.427 374 S N 1.185 116.876 115.700 -0.015 0.000 2.423 374 S HA -0.193 4.277 4.470 0.000 0.000 0.231 374 S C 1.280 175.911 174.600 0.051 0.000 1.014 374 S CA 1.107 59.335 58.200 0.046 0.000 0.965 374 S CB -0.274 62.989 63.200 0.105 0.000 0.785 374 S HN 0.672 nan 8.310 nan 0.000 0.495 375 D N 1.511 121.941 120.400 0.050 0.000 2.309 375 D HA -0.141 4.499 4.640 0.000 0.000 0.212 375 D C 1.656 177.946 176.300 -0.017 0.000 0.968 375 D CA 0.603 54.636 54.000 0.055 0.000 0.882 375 D CB -0.344 40.465 40.800 0.015 0.000 0.918 375 D HN 0.284 nan 8.370 nan 0.000 0.503 376 R N -0.277 120.198 120.500 -0.041 0.000 2.300 376 R HA 0.164 4.505 4.340 0.000 0.000 0.199 376 R C 2.012 178.327 176.300 0.025 0.000 0.920 376 R CA -0.205 55.862 56.100 -0.054 0.000 1.046 376 R CB -0.607 29.683 30.300 -0.016 0.000 0.984 376 R HN 0.249 nan 8.270 nan 0.000 0.493 377 L N 1.773 123.001 121.223 0.009 0.000 1.989 377 L HA -0.157 4.183 4.340 0.000 0.000 0.211 377 L C 2.054 178.946 176.870 0.037 0.000 1.071 377 L CA 1.924 56.785 54.840 0.034 0.000 0.749 377 L CB -0.263 41.781 42.059 -0.025 0.000 0.890 377 L HN 0.006 nan 8.230 nan 0.000 0.431 378 E N -0.426 119.754 120.200 -0.032 0.000 2.085 378 E HA -0.263 4.088 4.350 0.000 0.000 0.194 378 E C 2.232 178.852 176.600 0.034 0.000 0.994 378 E CA 1.822 58.200 56.400 -0.037 0.000 0.801 378 E CB -0.451 29.217 29.700 -0.053 0.000 0.743 378 E HN 0.558 nan 8.360 nan 0.000 0.453 379 I N 1.141 121.750 120.570 0.066 0.000 2.353 379 I HA -0.219 3.951 4.170 0.000 0.000 0.248 379 I C 2.417 178.629 176.117 0.158 0.000 1.119 379 I CA 1.424 62.790 61.300 0.111 0.000 1.417 379 I CB -0.386 37.653 38.000 0.066 0.000 1.078 379 I HN 0.022 nan 8.210 nan 0.000 0.421 380 S N 0.460 116.287 115.700 0.211 0.000 2.383 380 S HA -0.202 4.268 4.470 0.000 0.000 0.229 380 S C 2.073 176.848 174.600 0.291 0.000 1.030 380 S CA 1.523 59.906 58.200 0.305 0.000 1.002 380 S CB -1.165 62.250 63.200 0.358 0.000 0.829 380 S HN 0.520 nan 8.310 nan 0.000 0.467 381 L N 1.242 122.577 121.223 0.187 0.000 2.083 381 L HA -0.095 4.245 4.340 0.000 0.000 0.209 381 L C 2.410 179.308 176.870 0.047 0.000 1.083 381 L CA 1.510 56.370 54.840 0.033 0.000 0.752 381 L CB -0.697 41.270 42.059 -0.154 0.000 0.899 381 L HN 0.283 nan 8.230 nan 0.000 0.433 382 D N 0.126 120.575 120.400 0.080 0.000 2.117 382 D HA -0.128 4.512 4.640 0.000 0.000 0.198 382 D C 2.396 178.761 176.300 0.108 0.000 0.982 382 D CA 1.105 55.172 54.000 0.113 0.000 0.828 382 D CB -0.094 40.828 40.800 0.204 0.000 0.967 382 D HN 0.246 nan 8.370 nan 0.000 0.464 383 L N 0.492 121.795 121.223 0.135 0.000 2.056 383 L HA -0.098 4.242 4.340 0.000 0.000 0.207 383 L C 2.570 179.586 176.870 0.243 0.000 1.078 383 L CA 0.505 55.469 54.840 0.207 0.000 0.749 383 L CB -0.244 41.957 42.059 0.237 0.000 0.901 383 L HN 0.081 nan 8.230 nan 0.000 0.433 384 L N 0.038 121.366 121.223 0.174 0.000 2.012 384 L HA -0.279 4.061 4.340 0.000 0.000 0.210 384 L C 2.625 179.572 176.870 0.128 0.000 1.073 384 L CA 1.878 56.775 54.840 0.096 0.000 0.748 384 L CB -0.210 41.761 42.059 -0.146 0.000 0.891 384 L HN 0.347 nan 8.230 nan 0.000 0.431 385 E N 0.515 120.819 120.200 0.172 0.000 2.070 385 E HA -0.322 4.029 4.350 0.000 0.000 0.197 385 E C 2.172 178.949 176.600 0.296 0.000 1.004 385 E CA 2.060 58.611 56.400 0.252 0.000 0.805 385 E CB -0.133 29.714 29.700 0.245 0.000 0.744 385 E HN 0.306 nan 8.360 nan 0.000 0.451 386 K N -0.650 119.868 120.400 0.197 0.000 2.057 386 K HA -0.097 4.223 4.320 0.000 0.000 0.206 386 K C 2.161 178.956 176.600 0.325 0.000 1.050 386 K CA 1.072 57.453 56.287 0.155 0.000 0.935 386 K CB -0.254 32.123 32.500 -0.205 0.000 0.715 386 K HN 0.203 nan 8.250 nan 0.000 0.439 387 L N 0.942 122.399 121.223 0.390 0.000 2.083 387 L HA -0.194 4.146 4.340 0.000 0.000 0.209 387 L C 1.792 178.774 176.870 0.187 0.000 1.083 387 L CA 1.602 56.638 54.840 0.327 0.000 0.752 387 L CB -0.387 41.811 42.059 0.232 0.000 0.899 387 L HN 0.262 nan 8.230 nan 0.000 0.433 388 C N -1.007 118.364 119.300 0.117 0.000 2.491 388 C HA 0.015 4.476 4.460 0.000 0.000 0.277 388 C C 1.853 176.700 174.990 -0.239 0.000 1.455 388 C CA 0.229 59.197 59.018 -0.083 0.000 1.758 388 C CB -1.738 25.877 27.740 -0.208 0.000 1.745 388 C HN 0.509 nan 8.230 nan 0.000 0.558 389 F N -0.079 119.915 119.950 0.073 0.000 2.688 389 F HA 0.215 4.742 4.527 0.000 0.000 0.310 389 F C 0.845 176.686 175.800 0.067 0.000 1.098 389 F CA -0.103 57.930 58.000 0.055 0.000 1.228 389 F CB 0.086 39.109 39.000 0.038 0.000 1.042 389 F HN 0.013 nan 8.300 nan 0.000 0.557 390 E N 1.893 122.218 120.200 0.208 0.000 2.415 390 E HA 0.006 4.356 4.350 0.000 0.000 0.260 390 E C -1.617 175.047 176.600 0.107 0.000 1.016 390 E CA -1.332 55.163 56.400 0.159 0.000 0.924 390 E CB 0.624 30.408 29.700 0.141 0.000 0.961 390 E HN 0.135 nan 8.360 nan 0.000 0.459 391 P HA -0.173 nan 4.420 nan 0.000 0.216 391 P C 0.692 178.016 177.300 0.039 0.000 1.150 391 P CA 1.273 64.413 63.100 0.066 0.000 0.843 391 P CB 0.331 32.066 31.700 0.057 0.000 0.787 392 E N -1.096 119.119 120.200 0.025 0.000 2.347 392 E HA -0.032 4.318 4.350 0.000 0.000 0.196 392 E C 1.335 177.920 176.600 -0.024 0.000 1.008 392 E CA 0.532 56.924 56.400 -0.013 0.000 0.852 392 E CB -0.344 29.335 29.700 -0.035 0.000 0.783 392 E HN 0.296 nan 8.360 nan 0.000 0.505 393 L N 0.269 121.507 121.223 0.025 0.000 2.667 393 L HA 0.279 4.619 4.340 0.000 0.000 0.232 393 L C 0.692 177.633 176.870 0.118 0.000 1.138 393 L CA -0.690 54.200 54.840 0.082 0.000 0.921 393 L CB 0.177 42.315 42.059 0.131 0.000 1.180 393 L HN -0.035 nan 8.230 nan 0.000 0.487 394 A N 0.292 123.152 122.820 0.066 0.000 2.511 394 A HA 0.399 4.719 4.320 0.000 0.000 0.242 394 A C 1.486 179.117 177.584 0.078 0.000 1.069 394 A CA 0.778 52.846 52.037 0.051 0.000 0.763 394 A CB -0.131 18.891 19.000 0.036 0.000 1.001 394 A HN 0.587 nan 8.150 nan 0.000 0.498 395 G N 0.209 109.045 108.800 0.061 0.000 2.184 395 G HA2 -0.275 3.685 3.960 0.000 0.000 0.264 395 G HA3 -0.275 3.685 3.960 0.000 0.000 0.264 395 G C -0.060 174.922 174.900 0.137 0.000 0.975 395 G CA 0.706 45.847 45.100 0.070 0.000 0.642 395 G HN 1.462 nan 8.290 nan 0.000 0.536 396 W N 1.283 122.553 121.300 -0.050 0.000 2.478 396 W HA 0.751 5.411 4.660 0.000 0.000 0.318 396 W C 0.110 176.590 176.519 -0.065 0.000 1.062 396 W CA -1.254 56.059 57.345 -0.053 0.000 1.210 396 W CB 0.902 30.332 29.460 -0.050 0.000 1.325 396 W HN -0.057 nan 8.180 nan 0.000 0.496 397 N N 3.379 121.657 118.700 -0.704 0.000 2.328 397 N HA 0.114 4.854 4.740 0.000 0.000 0.247 397 N C 1.124 176.081 175.510 -0.922 0.000 1.165 397 N CA 0.204 52.900 53.050 -0.589 0.000 0.873 397 N CB 1.046 39.323 38.487 -0.350 0.000 1.125 397 N HN 0.736 nan 8.380 nan 0.000 0.513 398 G N 0.047 107.758 108.800 -1.814 0.000 2.985 398 G HA2 0.113 4.074 3.960 0.000 0.000 0.209 398 G HA3 0.113 4.074 3.960 0.000 0.000 0.209 398 G C 0.592 174.993 174.900 -0.831 0.000 1.165 398 G CA -0.124 43.942 45.100 -1.722 0.000 0.776 398 G HN 0.208 nan 8.290 nan 0.000 0.541 399 I N 1.606 121.879 120.570 -0.495 0.000 2.496 399 I HA 0.409 4.579 4.170 0.000 0.000 0.285 399 I C 0.883 176.955 176.117 -0.076 0.000 1.080 399 I CA -0.138 61.096 61.300 -0.109 0.000 1.404 399 I CB 1.245 39.241 38.000 -0.006 0.000 1.403 399 I HN 0.033 nan 8.210 nan 0.000 0.539 400 G N 5.518 114.328 108.800 0.018 0.000 2.533 400 G HA2 0.731 4.691 3.960 0.000 0.000 0.304 400 G HA3 0.731 4.691 3.960 0.000 0.000 0.304 400 G C -1.809 173.209 174.900 0.197 0.000 1.263 400 G CA -0.355 44.787 45.100 0.071 0.000 0.964 400 G HN 0.387 nan 8.290 nan 0.000 0.479 401 F N 0.788 120.734 119.950 -0.007 0.000 2.615 401 F HA 0.541 5.068 4.527 0.000 0.000 0.312 401 F C -0.877 174.926 175.800 0.006 0.000 1.119 401 F CA -0.729 57.280 58.000 0.014 0.000 0.979 401 F CB 2.101 41.117 39.000 0.025 0.000 1.266 401 F HN 0.435 nan 8.300 nan 0.000 0.444 402 V N 6.556 126.210 119.914 -0.433 0.000 2.481 402 V HA 0.533 4.653 4.120 0.000 0.000 0.286 402 V C 0.031 175.950 176.094 -0.292 0.000 1.042 402 V CA -0.600 61.542 62.300 -0.264 0.000 0.928 402 V CB 1.448 33.142 31.823 -0.215 0.000 0.986 402 V HN 0.636 nan 8.190 nan 0.000 0.462 403 I N 2.002 122.523 120.570 -0.082 0.000 2.646 403 I HA 0.690 4.860 4.170 0.000 0.000 0.299 403 I C -0.715 175.399 176.117 -0.005 0.000 1.036 403 I CA -0.870 60.428 61.300 -0.003 0.000 1.074 403 I CB 2.082 40.137 38.000 0.092 0.000 1.258 403 I HN 0.495 nan 8.210 nan 0.000 0.430 404 Q N 3.702 123.525 119.800 0.038 0.000 2.368 404 Q HA 0.512 4.852 4.340 0.000 0.000 0.263 404 Q C 0.666 176.749 176.000 0.138 0.000 1.009 404 Q CA -0.543 55.270 55.803 0.017 0.000 0.818 404 Q CB 2.173 30.926 28.738 0.025 0.000 1.239 404 Q HN 0.898 nan 8.270 nan 0.000 0.464 405 A N 2.884 125.788 122.820 0.140 0.000 2.067 405 A HA -0.190 4.130 4.320 0.000 0.000 0.219 405 A C 1.372 179.229 177.584 0.455 0.000 1.158 405 A CA 1.117 53.308 52.037 0.257 0.000 0.661 405 A CB -0.431 18.739 19.000 0.284 0.000 0.801 405 A HN 0.856 nan 8.150 nan 0.000 0.452 406 Y N 0.044 120.543 120.300 0.331 0.000 2.571 406 Y HA 0.152 4.703 4.550 0.001 0.000 0.294 406 Y C 0.594 176.687 175.900 0.322 0.000 1.141 406 Y CA -0.394 57.966 58.100 0.432 0.000 1.308 406 Y CB -1.374 37.309 38.460 0.372 0.000 1.002 406 Y HN 0.391 nan 8.280 nan 0.000 0.551 407 Q N 1.484 121.633 119.800 0.582 0.000 2.288 407 Q HA 0.116 4.456 4.340 0.000 0.000 0.254 407 Q C 0.651 176.724 176.000 0.122 0.000 0.932 407 Q CA -0.295 55.656 55.803 0.247 0.000 0.902 407 Q CB 1.456 30.345 28.738 0.251 0.000 1.203 407 Q HN 0.295 nan 8.270 nan 0.000 0.415 408 K N 1.542 121.887 120.400 -0.092 0.000 2.209 408 K HA -0.181 4.139 4.320 0.000 0.000 0.204 408 K C 1.642 178.292 176.600 0.083 0.000 1.048 408 K CA 1.301 57.558 56.287 -0.050 0.000 0.940 408 K CB 0.112 32.548 32.500 -0.106 0.000 0.729 408 K HN 0.364 nan 8.250 nan 0.000 0.451 409 R N -0.069 120.472 120.500 0.069 0.000 2.235 409 R HA -0.040 4.300 4.340 0.000 0.000 0.213 409 R C 2.298 178.652 176.300 0.091 0.000 1.059 409 R CA 0.621 56.754 56.100 0.056 0.000 0.997 409 R CB -0.644 29.648 30.300 -0.013 0.000 0.884 409 R HN 0.264 nan 8.270 nan 0.000 0.462 410 C N 1.413 120.794 119.300 0.134 0.000 2.376 410 C HA -0.102 4.359 4.460 0.000 0.000 0.275 410 C C -0.549 174.512 174.990 0.117 0.000 1.200 410 C CA 1.151 60.252 59.018 0.139 0.000 1.756 410 C CB -0.939 26.904 27.740 0.171 0.000 2.050 410 C HN 0.311 nan 8.230 nan 0.000 0.460 411 P HA -0.084 nan 4.420 nan 0.000 0.216 411 P C 1.576 178.927 177.300 0.086 0.000 1.150 411 P CA 1.422 64.578 63.100 0.093 0.000 0.837 411 P CB -0.307 31.450 31.700 0.095 0.000 0.786 412 L N -1.452 119.823 121.223 0.087 0.000 2.240 412 L HA -0.040 4.300 4.340 0.000 0.000 0.211 412 L C 2.419 179.353 176.870 0.107 0.000 1.106 412 L CA 1.252 56.141 54.840 0.081 0.000 0.793 412 L CB -1.803 40.292 42.059 0.060 0.000 0.927 412 L HN -0.089 nan 8.230 nan 0.000 0.446 413 V N 0.190 120.171 119.914 0.113 0.000 2.407 413 V HA -0.257 3.864 4.120 0.000 0.000 0.248 413 V C 2.524 178.730 176.094 0.187 0.000 1.055 413 V CA 1.404 63.803 62.300 0.165 0.000 1.049 413 V CB -0.231 31.694 31.823 0.169 0.000 0.662 413 V HN 0.268 nan 8.190 nan 0.000 0.455 414 I N 0.061 120.705 120.570 0.123 0.000 2.226 414 I HA -0.218 3.952 4.170 0.000 0.000 0.245 414 I C 2.270 178.423 176.117 0.060 0.000 1.100 414 I CA 1.537 62.885 61.300 0.080 0.000 1.374 414 I CB -0.445 37.588 38.000 0.054 0.000 1.057 414 I HN 0.311 nan 8.210 nan 0.000 0.413 415 D N -0.009 120.437 120.400 0.076 0.000 2.144 415 D HA -0.238 4.402 4.640 0.000 0.000 0.199 415 D C 1.894 178.231 176.300 0.063 0.000 0.984 415 D CA 1.287 55.321 54.000 0.058 0.000 0.834 415 D CB -0.386 40.454 40.800 0.066 0.000 0.955 415 D HN 0.370 nan 8.370 nan 0.000 0.465 416 Y N 1.502 121.804 120.300 0.003 0.000 2.145 416 Y HA -0.162 4.388 4.550 0.000 0.000 0.286 416 Y C 2.140 178.026 175.900 -0.023 0.000 1.145 416 Y CA 1.338 59.433 58.100 -0.007 0.000 1.148 416 Y CB -0.496 37.958 38.460 -0.011 0.000 0.981 416 Y HN -0.094 nan 8.280 nan 0.000 0.507 417 L N -0.496 120.599 121.223 -0.212 0.000 2.141 417 L HA -0.199 4.141 4.340 0.000 0.000 0.209 417 L C 2.453 179.169 176.870 -0.257 0.000 1.094 417 L CA 1.194 55.843 54.840 -0.319 0.000 0.763 417 L CB -0.471 41.527 42.059 -0.101 0.000 0.908 417 L HN 0.279 nan 8.230 nan 0.000 0.437 418 I N -0.042 120.438 120.570 -0.150 0.000 2.202 418 I HA -0.301 3.870 4.170 0.000 0.000 0.242 418 I C 2.189 178.230 176.117 -0.127 0.000 1.091 418 I CA 1.575 62.813 61.300 -0.104 0.000 1.368 418 I CB -0.197 37.773 38.000 -0.050 0.000 1.058 418 I HN 0.272 nan 8.210 nan 0.000 0.410 419 D N 0.743 121.058 120.400 -0.142 0.000 2.149 419 D HA -0.235 4.405 4.640 0.000 0.000 0.198 419 D C 2.027 178.221 176.300 -0.176 0.000 0.990 419 D CA 1.040 54.964 54.000 -0.126 0.000 0.839 419 D CB 0.051 40.803 40.800 -0.082 0.000 0.948 419 D HN 0.168 nan 8.370 nan 0.000 0.460 420 L N 0.023 121.040 121.223 -0.343 0.000 2.156 420 L HA 0.125 4.466 4.340 0.000 0.000 0.208 420 L C 2.054 178.787 176.870 -0.229 0.000 1.095 420 L CA 1.791 56.442 54.840 -0.315 0.000 0.770 420 L CB -0.782 40.950 42.059 -0.545 0.000 0.914 420 L HN 0.068 nan 8.230 nan 0.000 0.439 421 A N -1.320 121.374 122.820 -0.209 0.000 1.898 421 A HA -0.165 4.155 4.320 0.000 0.000 0.216 421 A C 2.243 179.751 177.584 -0.127 0.000 1.181 421 A CA 2.164 54.104 52.037 -0.162 0.000 0.620 421 A CB -1.168 17.757 19.000 -0.124 0.000 0.819 421 A HN 0.493 nan 8.150 nan 0.000 0.442 422 T N -0.221 114.275 114.554 -0.097 0.000 2.674 422 T HA -0.145 4.205 4.350 0.000 0.000 0.265 422 T C 2.067 176.742 174.700 -0.041 0.000 1.039 422 T CA 1.636 63.701 62.100 -0.059 0.000 1.150 422 T CB -0.243 68.601 68.868 -0.041 0.000 0.864 422 T HN 0.502 nan 8.240 nan 0.000 0.427 423 R N 1.227 121.716 120.500 -0.018 0.000 2.148 423 R HA -0.009 4.331 4.340 0.000 0.000 0.227 423 R C 2.579 178.898 176.300 0.032 0.000 1.103 423 R CA 1.484 57.634 56.100 0.083 0.000 0.983 423 R CB -0.173 30.258 30.300 0.218 0.000 0.874 423 R HN 0.450 nan 8.270 nan 0.000 0.451 424 S N -0.082 115.472 115.700 -0.243 0.000 2.556 424 S HA 0.109 4.579 4.470 0.000 0.000 0.216 424 S C 0.109 174.527 174.600 -0.303 0.000 0.970 424 S CA -0.534 57.299 58.200 -0.613 0.000 0.912 424 S CB 0.149 62.775 63.200 -0.956 0.000 0.790 424 S HN 0.196 nan 8.310 nan 0.000 0.504 425 R N 1.405 121.808 120.500 -0.161 0.000 3.079 425 R HA -0.173 4.167 4.340 0.000 0.000 0.254 425 R C -0.273 175.966 176.300 -0.102 0.000 0.900 425 R CA 0.985 57.026 56.100 -0.098 0.000 0.641 425 R CB -1.946 28.318 30.300 -0.060 0.000 1.307 425 R HN 0.872 nan 8.270 nan 0.000 0.477 426 R N -0.710 119.723 120.500 -0.113 0.000 2.733 426 R HA 0.521 4.861 4.340 0.000 0.000 0.272 426 R C -1.213 175.030 176.300 -0.094 0.000 1.029 426 R CA -1.315 54.721 56.100 -0.106 0.000 0.888 426 R CB 1.485 31.706 30.300 -0.131 0.000 1.251 426 R HN 0.188 nan 8.270 nan 0.000 0.464 427 R N 1.943 122.390 120.500 -0.088 0.000 2.255 427 R HA 0.391 4.731 4.340 0.000 0.000 0.326 427 R C -0.856 175.391 176.300 -0.087 0.000 0.986 427 R CA -0.547 55.519 56.100 -0.058 0.000 0.847 427 R CB 0.898 31.190 30.300 -0.013 0.000 1.111 427 R HN 0.591 nan 8.270 nan 0.000 0.452 428 L N 5.327 126.508 121.223 -0.069 0.000 2.350 428 L HA 0.342 4.682 4.340 0.000 0.000 0.275 428 L C 0.309 177.174 176.870 -0.008 0.000 1.099 428 L CA -0.416 54.384 54.840 -0.068 0.000 0.808 428 L CB 1.429 43.447 42.059 -0.069 0.000 1.149 428 L HN 0.548 nan 8.230 nan 0.000 0.442 429 M N 4.725 124.318 119.600 -0.010 0.000 2.108 429 M HA 0.334 4.815 4.480 0.000 0.000 0.347 429 M C -0.854 175.464 176.300 0.031 0.000 1.326 429 M CA -0.066 55.272 55.300 0.063 0.000 1.126 429 M CB 0.682 33.311 32.600 0.048 0.000 1.606 429 M HN 0.282 nan 8.290 nan 0.000 0.462 430 I N 4.032 124.585 120.570 -0.029 0.000 2.382 430 I HA 0.350 4.520 4.170 0.000 0.000 0.285 430 I C 0.027 176.057 176.117 -0.146 0.000 1.007 430 I CA -0.349 60.927 61.300 -0.041 0.000 1.142 430 I CB 1.340 39.312 38.000 -0.048 0.000 1.289 430 I HN 0.720 nan 8.210 nan 0.000 0.453 431 R N 6.055 126.502 120.500 -0.089 0.000 2.216 431 R HA 0.367 4.707 4.340 0.000 0.000 0.332 431 R C -1.074 175.160 176.300 -0.110 0.000 1.056 431 R CA -0.641 55.389 56.100 -0.117 0.000 0.901 431 R CB 0.774 31.037 30.300 -0.061 0.000 1.039 431 R HN 0.470 nan 8.270 nan 0.000 0.456 432 L N 6.835 127.972 121.223 -0.144 0.000 2.264 432 L HA 0.341 4.681 4.340 0.000 0.000 0.289 432 L C -0.659 176.258 176.870 0.079 0.000 1.044 432 L CA -0.377 54.399 54.840 -0.106 0.000 0.807 432 L CB 1.487 43.389 42.059 -0.261 0.000 1.192 432 L HN 0.462 nan 8.230 nan 0.000 0.425 433 V N 2.285 122.247 119.914 0.081 0.000 3.113 433 V HA 0.601 4.721 4.120 0.000 0.000 0.316 433 V C 0.813 177.003 176.094 0.159 0.000 1.125 433 V CA -0.624 61.759 62.300 0.138 0.000 1.026 433 V CB 1.806 33.611 31.823 -0.031 0.000 1.080 433 V HN 0.803 nan 8.190 nan 0.000 0.444 434 K N 1.314 121.763 120.400 0.082 0.000 2.044 434 K HA 0.484 4.804 4.320 0.000 0.000 0.204 434 K C 0.769 177.129 176.600 -0.399 0.000 1.049 434 K CA 1.163 57.452 56.287 0.003 0.000 0.945 434 K CB -0.022 32.461 32.500 -0.028 0.000 0.724 434 K HN 1.403 nan 8.250 nan 0.000 0.440 435 G N -0.861 107.639 108.800 -0.499 0.000 2.351 435 G HA2 0.193 4.153 3.960 0.000 0.000 0.472 435 G HA3 0.193 4.153 3.960 0.000 0.000 0.472 435 G C -0.370 174.334 174.900 -0.327 0.000 1.570 435 G CA -0.368 44.201 45.100 -0.885 0.000 0.921 435 G HN 0.129 nan 8.290 nan 0.000 0.674 436 A N 0.425 123.223 122.820 -0.037 0.000 2.252 436 A HA 0.526 4.846 4.320 0.000 0.000 0.213 436 A C 0.762 178.304 177.584 -0.071 0.000 1.188 436 A CA 0.773 52.743 52.037 -0.112 0.000 0.863 436 A CB 0.052 18.824 19.000 -0.380 0.000 0.893 436 A HN 0.953 nan 8.150 nan 0.000 0.495 437 Y N -2.632 117.901 120.300 0.388 0.000 2.751 437 Y HA 0.194 4.745 4.550 0.000 0.000 0.289 437 Y C 1.064 177.134 175.900 0.284 0.000 1.110 437 Y CA -1.510 56.765 58.100 0.292 0.000 1.251 437 Y CB -0.547 38.049 38.460 0.227 0.000 1.178 437 Y HN 0.558 nan 8.280 nan 0.000 0.540 438 W N 1.608 123.095 121.300 0.312 0.000 2.355 438 W HA -0.178 4.482 4.660 0.000 0.000 0.309 438 W C 1.576 178.104 176.519 0.015 0.000 1.206 438 W CA 2.124 59.526 57.345 0.095 0.000 1.284 438 W CB 0.013 29.569 29.460 0.160 0.000 1.145 438 W HN 0.117 nan 8.180 nan 0.000 0.502 439 D N -0.317 120.172 120.400 0.149 0.000 2.104 439 D HA -0.190 4.450 4.640 0.000 0.000 0.194 439 D C 2.141 178.330 176.300 -0.184 0.000 0.994 439 D CA 2.205 56.148 54.000 -0.094 0.000 0.830 439 D CB -0.530 40.328 40.800 0.096 0.000 0.959 439 D HN 0.210 nan 8.370 nan 0.000 0.452 440 S N 0.982 116.658 115.700 -0.039 0.000 2.383 440 S HA -0.104 4.367 4.470 0.000 0.000 0.227 440 S C 1.762 176.311 174.600 -0.085 0.000 1.026 440 S CA 0.632 58.820 58.200 -0.019 0.000 0.981 440 S CB -0.058 63.201 63.200 0.099 0.000 0.818 440 S HN 0.227 nan 8.310 nan 0.000 0.472 441 E N 1.201 121.321 120.200 -0.134 0.000 2.118 441 E HA -0.092 4.258 4.350 0.000 0.000 0.195 441 E C 1.994 178.451 176.600 -0.239 0.000 0.992 441 E CA 0.763 57.050 56.400 -0.189 0.000 0.804 441 E CB -0.273 29.256 29.700 -0.284 0.000 0.741 441 E HN 0.404 nan 8.360 nan 0.000 0.458 442 I N 1.065 121.368 120.570 -0.446 0.000 2.233 442 I HA -0.188 3.983 4.170 0.000 0.000 0.243 442 I C 2.212 178.232 176.117 -0.162 0.000 1.093 442 I CA 1.034 62.076 61.300 -0.430 0.000 1.380 442 I CB -0.837 36.633 38.000 -0.883 0.000 1.067 442 I HN 0.042 nan 8.210 nan 0.000 0.413 443 K N 0.407 120.702 120.400 -0.174 0.000 2.032 443 K HA -0.241 4.079 4.320 0.000 0.000 0.209 443 K C 2.225 178.795 176.600 -0.050 0.000 1.048 443 K CA 1.661 57.897 56.287 -0.085 0.000 0.927 443 K CB -0.196 32.262 32.500 -0.070 0.000 0.712 443 K HN 0.023 nan 8.250 nan 0.000 0.441 444 R N 1.101 121.568 120.500 -0.055 0.000 2.094 444 R HA -0.157 4.183 4.340 0.000 0.000 0.239 444 R C 1.997 178.267 176.300 -0.049 0.000 1.137 444 R CA 2.001 58.075 56.100 -0.042 0.000 0.943 444 R CB -0.712 29.564 30.300 -0.039 0.000 0.850 444 R HN 0.232 nan 8.270 nan 0.000 0.433 445 A N -0.089 122.706 122.820 -0.041 0.000 2.015 445 A HA -0.143 4.177 4.320 0.000 0.000 0.219 445 A C 2.041 179.559 177.584 -0.109 0.000 1.163 445 A CA 1.433 53.418 52.037 -0.087 0.000 0.646 445 A CB -0.390 18.570 19.000 -0.068 0.000 0.806 445 A HN 0.565 nan 8.150 nan 0.000 0.448 446 Q N -1.316 118.469 119.800 -0.025 0.000 2.230 446 Q HA 0.036 4.376 4.340 0.000 0.000 0.202 446 Q C 1.957 177.930 176.000 -0.044 0.000 0.963 446 Q CA 1.211 57.000 55.803 -0.022 0.000 0.866 446 Q CB -0.111 28.647 28.738 0.033 0.000 0.931 446 Q HN 0.727 nan 8.270 nan 0.000 0.452 447 M N -0.188 119.386 119.600 -0.044 0.000 2.334 447 M HA -0.081 4.399 4.480 0.000 0.000 0.266 447 M C 0.704 176.972 176.300 -0.053 0.000 1.082 447 M CA 0.890 56.165 55.300 -0.040 0.000 1.141 447 M CB 0.318 32.899 32.600 -0.031 0.000 1.380 447 M HN -0.004 nan 8.290 nan 0.000 0.440 448 D N 0.433 120.791 120.400 -0.071 0.000 2.317 448 D HA 0.040 4.680 4.640 0.000 0.000 0.211 448 D C 1.054 177.296 176.300 -0.096 0.000 0.966 448 D CA 0.875 54.826 54.000 -0.082 0.000 0.876 448 D CB -0.262 40.477 40.800 -0.101 0.000 0.927 448 D HN 0.434 nan 8.370 nan 0.000 0.519 449 G N 1.001 109.736 108.800 -0.108 0.000 2.393 449 G HA2 -0.292 3.668 3.960 0.000 0.000 0.299 449 G HA3 -0.292 3.668 3.960 0.000 0.000 0.299 449 G C 0.144 174.961 174.900 -0.138 0.000 0.990 449 G CA 0.141 45.171 45.100 -0.117 0.000 1.118 449 G HN 0.292 nan 8.290 nan 0.000 0.513 450 L N -0.873 120.239 121.223 -0.185 0.000 2.448 450 L HA 0.327 4.667 4.340 0.000 0.000 0.258 450 L C 2.208 178.950 176.870 -0.214 0.000 1.104 450 L CA -0.158 54.566 54.840 -0.193 0.000 0.800 450 L CB 0.571 42.496 42.059 -0.224 0.000 1.241 450 L HN 0.452 nan 8.230 nan 0.000 0.472 451 E N -0.771 119.319 120.200 -0.184 0.000 2.219 451 E HA 0.012 4.363 4.350 0.000 0.000 0.198 451 E C 0.607 177.092 176.600 -0.192 0.000 0.998 451 E CA 0.687 56.993 56.400 -0.156 0.000 0.818 451 E CB -0.672 28.959 29.700 -0.115 0.000 0.741 451 E HN 0.919 nan 8.360 nan 0.000 0.477 452 G N -1.536 107.103 108.800 -0.269 0.000 2.490 452 G HA2 0.488 4.448 3.960 0.000 0.000 0.308 452 G HA3 0.488 4.448 3.960 0.000 0.000 0.308 452 G C -1.580 173.059 174.900 -0.436 0.000 1.286 452 G CA -0.818 44.081 45.100 -0.336 0.000 0.825 452 G HN 0.201 nan 8.290 nan 0.000 0.479 453 Y N 0.823 121.077 120.300 -0.078 0.000 2.310 453 Y HA 0.398 4.948 4.550 0.000 0.000 0.326 453 Y C -1.092 174.749 175.900 -0.098 0.000 1.151 453 Y CA -1.700 56.339 58.100 -0.101 0.000 1.195 453 Y CB 2.261 40.672 38.460 -0.082 0.000 1.210 453 Y HN 0.289 nan 8.280 nan 0.000 0.483 454 P HA -0.039 nan 4.420 nan 0.000 0.241 454 P C -0.175 177.114 177.300 -0.018 0.000 1.191 454 P CA 0.721 63.873 63.100 0.086 0.000 0.771 454 P CB 0.305 32.126 31.700 0.202 0.000 0.929 455 V N -4.144 115.727 119.914 -0.071 0.000 3.046 455 V HA 0.509 4.629 4.120 0.000 0.000 0.316 455 V C -0.193 175.852 176.094 -0.081 0.000 1.104 455 V CA -1.747 60.465 62.300 -0.148 0.000 1.006 455 V CB 0.809 32.456 31.823 -0.293 0.000 1.058 455 V HN -0.180 nan 8.190 nan 0.000 0.440 456 Y N 0.858 121.320 120.300 0.269 0.000 2.426 456 Y HA 0.381 4.932 4.550 0.000 0.000 0.344 456 Y C 1.990 178.116 175.900 0.377 0.000 1.256 456 Y CA 0.761 59.059 58.100 0.331 0.000 1.451 456 Y CB 1.135 39.821 38.460 0.375 0.000 1.342 456 Y HN 0.884 nan 8.280 nan 0.000 0.600 457 T N -2.559 112.288 114.554 0.488 0.000 2.971 457 T HA 0.316 4.666 4.350 0.000 0.000 0.252 457 T C 0.371 175.247 174.700 0.293 0.000 1.022 457 T CA -0.319 62.014 62.100 0.390 0.000 0.980 457 T CB 0.152 69.146 68.868 0.209 0.000 1.044 457 T HN 0.428 nan 8.240 nan 0.000 0.501 458 R N 1.238 121.819 120.500 0.136 0.000 2.393 458 R HA 0.453 4.793 4.340 0.000 0.000 0.310 458 R C 1.070 177.227 176.300 -0.237 0.000 0.968 458 R CA -0.802 55.179 56.100 -0.199 0.000 0.867 458 R CB 1.482 31.320 30.300 -0.770 0.000 1.124 458 R HN -0.060 nan 8.270 nan 0.000 0.450 459 K N 2.192 122.448 120.400 -0.239 0.000 2.063 459 K HA -0.128 4.192 4.320 0.000 0.000 0.208 459 K C 1.589 178.102 176.600 -0.146 0.000 1.048 459 K CA 1.512 57.674 56.287 -0.208 0.000 0.928 459 K CB 0.063 32.428 32.500 -0.224 0.000 0.713 459 K HN 0.440 nan 8.250 nan 0.000 0.442 460 V N 1.119 120.909 119.914 -0.207 0.000 2.469 460 V HA -0.242 3.879 4.120 0.000 0.000 0.251 460 V C 1.858 177.939 176.094 -0.023 0.000 1.064 460 V CA 1.651 63.869 62.300 -0.138 0.000 1.066 460 V CB -0.495 31.231 31.823 -0.161 0.000 0.667 460 V HN 0.280 nan 8.190 nan 0.000 0.461 461 Y N 0.687 120.927 120.300 -0.100 0.000 2.242 461 Y HA -0.092 4.458 4.550 0.000 0.000 0.291 461 Y C 2.796 178.474 175.900 -0.370 0.000 1.137 461 Y CA 1.381 59.325 58.100 -0.260 0.000 1.181 461 Y CB -1.717 36.567 38.460 -0.294 0.000 0.989 461 Y HN 0.248 nan 8.280 nan 0.000 0.527 462 T N 0.031 114.595 114.554 0.017 0.000 2.746 462 T HA -0.164 4.186 4.350 0.000 0.000 0.267 462 T C 1.394 176.150 174.700 0.093 0.000 1.039 462 T CA 1.704 63.876 62.100 0.121 0.000 1.142 462 T CB -0.307 68.694 68.868 0.220 0.000 0.866 462 T HN 0.275 nan 8.240 nan 0.000 0.444 463 D N 0.703 121.125 120.400 0.037 0.000 2.117 463 D HA -0.049 4.591 4.640 0.000 0.000 0.197 463 D C 2.264 178.613 176.300 0.082 0.000 0.987 463 D CA 0.634 54.656 54.000 0.036 0.000 0.829 463 D CB -0.554 40.238 40.800 -0.013 0.000 0.961 463 D HN 0.188 nan 8.370 nan 0.000 0.460 464 V N 0.643 120.584 119.914 0.045 0.000 2.392 464 V HA -0.226 3.895 4.120 0.000 0.000 0.249 464 V C 2.584 178.706 176.094 0.048 0.000 1.059 464 V CA 1.883 64.206 62.300 0.038 0.000 1.051 464 V CB -0.496 31.330 31.823 0.005 0.000 0.658 464 V HN 0.199 nan 8.190 nan 0.000 0.455 465 S N -1.368 114.349 115.700 0.028 0.000 2.355 465 S HA -0.244 4.226 4.470 0.000 0.000 0.222 465 S C 1.977 176.666 174.600 0.148 0.000 1.031 465 S CA 1.723 59.970 58.200 0.077 0.000 0.993 465 S CB -0.473 62.802 63.200 0.126 0.000 0.859 465 S HN 0.632 nan 8.310 nan 0.000 0.453 466 Y N 2.004 122.341 120.300 0.062 0.000 2.081 466 Y HA -0.189 4.361 4.550 0.000 0.000 0.280 466 Y C 2.070 177.994 175.900 0.039 0.000 1.163 466 Y CA 2.177 60.315 58.100 0.064 0.000 1.135 466 Y CB -0.359 38.128 38.460 0.045 0.000 0.970 466 Y HN 0.256 nan 8.280 nan 0.000 0.498 467 L N -0.738 120.640 121.223 0.260 0.000 1.989 467 L HA -0.292 4.048 4.340 0.000 0.000 0.211 467 L C 2.801 179.700 176.870 0.048 0.000 1.071 467 L CA 1.281 56.197 54.840 0.127 0.000 0.749 467 L CB -1.203 40.924 42.059 0.113 0.000 0.890 467 L HN 0.331 nan 8.230 nan 0.000 0.431 468 A N -0.784 122.068 122.820 0.052 0.000 1.908 468 A HA -0.246 4.074 4.320 0.000 0.000 0.218 468 A C 2.387 179.985 177.584 0.023 0.000 1.181 468 A CA 2.060 54.117 52.037 0.034 0.000 0.627 468 A CB -1.192 17.833 19.000 0.042 0.000 0.818 468 A HN 0.571 nan 8.150 nan 0.000 0.445 469 C N -1.241 118.068 119.300 0.015 0.000 2.440 469 C HA 0.149 4.610 4.460 0.000 0.000 0.278 469 C C 3.297 178.283 174.990 -0.008 0.000 1.295 469 C CA 0.514 59.529 59.018 -0.005 0.000 1.738 469 C CB -1.296 26.422 27.740 -0.036 0.000 1.987 469 C HN 0.709 nan 8.230 nan 0.000 0.492 470 A N 0.839 123.642 122.820 -0.028 0.000 1.902 470 A HA -0.191 4.130 4.320 0.000 0.000 0.217 470 A C 2.182 179.785 177.584 0.031 0.000 1.181 470 A CA 1.534 53.596 52.037 0.042 0.000 0.623 470 A CB -0.420 18.473 19.000 -0.177 0.000 0.818 470 A HN 0.677 nan 8.150 nan 0.000 0.443 471 K N -0.151 120.242 120.400 -0.013 0.000 2.057 471 K HA -0.137 4.183 4.320 0.000 0.000 0.207 471 K C 2.051 178.656 176.600 0.008 0.000 1.049 471 K CA 1.558 57.838 56.287 -0.013 0.000 0.931 471 K CB -0.214 32.280 32.500 -0.011 0.000 0.714 471 K HN 0.421 nan 8.250 nan 0.000 0.440 472 K N 0.906 121.316 120.400 0.015 0.000 2.103 472 K HA -0.107 4.213 4.320 0.000 0.000 0.207 472 K C 2.140 178.749 176.600 0.015 0.000 1.048 472 K CA 1.140 57.437 56.287 0.016 0.000 0.930 472 K CB -0.111 32.401 32.500 0.020 0.000 0.716 472 K HN 0.090 nan 8.250 nan 0.000 0.444 473 L N 0.457 121.695 121.223 0.026 0.000 2.109 473 L HA -0.117 4.223 4.340 0.000 0.000 0.207 473 L C 2.113 178.991 176.870 0.014 0.000 1.086 473 L CA 0.756 55.597 54.840 0.003 0.000 0.760 473 L CB -0.192 41.847 42.059 -0.033 0.000 0.910 473 L HN 0.149 nan 8.230 nan 0.000 0.437 474 L N -0.500 120.752 121.223 0.048 0.000 2.395 474 L HA -0.048 4.292 4.340 0.000 0.000 0.218 474 L C 2.603 179.483 176.870 0.017 0.000 1.130 474 L CA 0.499 55.356 54.840 0.029 0.000 0.826 474 L CB -0.439 41.620 42.059 0.000 0.000 0.941 474 L HN 0.195 nan 8.230 nan 0.000 0.451 475 A N -0.165 122.663 122.820 0.014 0.000 2.119 475 A HA 0.011 4.331 4.320 0.000 0.000 0.216 475 A C 1.260 178.854 177.584 0.017 0.000 1.152 475 A CA 1.013 53.058 52.037 0.013 0.000 0.708 475 A CB -0.227 18.778 19.000 0.009 0.000 0.805 475 A HN 0.237 nan 8.150 nan 0.000 0.460 476 V N -3.591 116.332 119.914 0.016 0.000 2.446 476 V HA 0.315 4.435 4.120 0.000 0.000 0.257 476 V C -2.080 174.030 176.094 0.026 0.000 1.036 476 V CA -1.278 61.030 62.300 0.014 0.000 1.196 476 V CB 0.568 32.391 31.823 0.000 0.000 1.446 476 V HN 0.138 nan 8.190 nan 0.000 0.558 477 P HA -0.122 nan 4.420 nan 0.000 0.222 477 P C 1.260 178.604 177.300 0.074 0.000 1.147 477 P CA 1.438 64.589 63.100 0.086 0.000 0.790 477 P CB 0.073 31.856 31.700 0.140 0.000 0.780 478 N N -0.045 118.679 118.700 0.039 0.000 2.457 478 N HA -0.059 4.681 4.740 0.000 0.000 0.180 478 N C 1.480 176.994 175.510 0.007 0.000 1.050 478 N CA 0.827 53.888 53.050 0.019 0.000 0.906 478 N CB -0.862 37.626 38.487 0.002 0.000 0.968 478 N HN 0.271 nan 8.380 nan 0.000 0.445 479 L N -0.733 120.493 121.223 0.005 0.000 2.717 479 L HA 0.460 4.800 4.340 0.000 0.000 0.239 479 L C 0.241 177.102 176.870 -0.016 0.000 1.086 479 L CA 0.168 54.997 54.840 -0.019 0.000 0.897 479 L CB 0.597 42.637 42.059 -0.031 0.000 1.214 479 L HN -0.054 nan 8.230 nan 0.000 0.508 480 I N -1.177 119.401 120.570 0.012 0.000 2.607 480 I HA 0.188 4.358 4.170 0.000 0.000 0.290 480 I C -1.543 174.623 176.117 0.082 0.000 1.129 480 I CA -0.708 60.602 61.300 0.017 0.000 1.042 480 I CB 2.862 40.846 38.000 -0.027 0.000 1.242 480 I HN -0.172 nan 8.210 nan 0.000 0.421 481 Y N 8.848 129.126 120.300 -0.038 0.000 2.504 481 Y HA 0.503 5.054 4.550 0.000 0.000 0.339 481 Y C -2.556 173.279 175.900 -0.109 0.000 0.974 481 Y CA -3.010 55.078 58.100 -0.019 0.000 1.232 481 Y CB 0.847 39.359 38.460 0.087 0.000 1.108 481 Y HN 0.244 nan 8.280 nan 0.000 0.509 482 P HA 0.221 nan 4.420 nan 0.000 0.280 482 P C -1.448 175.267 177.300 -0.975 0.000 1.244 482 P CA -0.210 62.428 63.100 -0.770 0.000 0.784 482 P CB 0.884 32.016 31.700 -0.946 0.000 0.913 483 Q N 2.169 121.488 119.800 -0.802 0.000 2.401 483 Q HA 0.388 4.729 4.340 0.000 0.000 0.260 483 Q C -1.112 174.681 176.000 -0.346 0.000 1.034 483 Q CA -0.211 55.294 55.803 -0.496 0.000 0.737 483 Q CB 0.785 29.367 28.738 -0.260 0.000 1.227 483 Q HN 0.426 nan 8.270 nan 0.000 0.488 484 F N 1.606 121.552 119.950 -0.006 0.000 2.335 484 F HA 0.438 4.965 4.527 0.000 0.000 0.365 484 F C 0.570 176.516 175.800 0.244 0.000 1.122 484 F CA -0.822 57.263 58.000 0.142 0.000 1.151 484 F CB 0.965 40.071 39.000 0.178 0.000 1.282 484 F HN 0.459 nan 8.300 nan 0.000 0.513 485 A N 3.418 126.439 122.820 0.335 0.000 2.310 485 A HA 0.623 4.943 4.320 0.000 0.000 0.300 485 A C 0.083 177.710 177.584 0.071 0.000 1.269 485 A CA -0.115 52.006 52.037 0.141 0.000 0.909 485 A CB 0.601 19.623 19.000 0.035 0.000 1.144 485 A HN 0.638 nan 8.150 nan 0.000 0.540 486 T N 1.122 115.639 114.554 -0.062 0.000 2.893 486 T HA 0.439 4.789 4.350 0.000 0.000 0.337 486 T C -0.384 174.138 174.700 -0.297 0.000 1.587 486 T CA -0.453 61.488 62.100 -0.265 0.000 1.066 486 T CB 0.712 69.422 68.868 -0.264 0.000 1.414 486 T HN 0.689 nan 8.240 nan 0.000 0.488 487 H N 1.312 120.339 119.070 -0.071 0.000 2.672 487 H HA 0.383 4.939 4.556 0.000 0.000 0.277 487 H C 0.500 175.581 175.328 -0.412 0.000 1.074 487 H CA -0.530 55.457 56.048 -0.103 0.000 1.173 487 H CB 0.489 30.257 29.762 0.010 0.000 1.558 487 H HN 0.277 nan 8.280 nan 0.000 0.539 488 N N 1.246 119.618 118.700 -0.547 0.000 2.422 488 N HA 0.143 4.883 4.740 0.000 0.000 0.266 488 N C 0.856 175.778 175.510 -0.980 0.000 1.007 488 N CA 0.088 52.441 53.050 -1.160 0.000 0.941 488 N CB 1.543 39.647 38.487 -0.639 0.000 1.115 488 N HN 0.263 nan 8.380 nan 0.000 0.492 489 A N 3.791 125.852 122.820 -1.266 0.000 1.969 489 A HA -0.172 4.148 4.320 0.000 0.000 0.218 489 A C 1.961 179.331 177.584 -0.357 0.000 1.169 489 A CA 1.083 52.779 52.037 -0.569 0.000 0.635 489 A CB -0.799 18.066 19.000 -0.226 0.000 0.810 489 A HN 0.915 nan 8.150 nan 0.000 0.445 490 H N 0.084 118.955 119.070 -0.331 0.000 2.326 490 H HA -0.094 4.462 4.556 0.000 0.000 0.301 490 H C 1.959 177.174 175.328 -0.188 0.000 1.081 490 H CA 2.038 57.983 56.048 -0.171 0.000 1.334 490 H CB -0.278 29.438 29.762 -0.077 0.000 1.385 490 H HN 0.402 nan 8.280 nan 0.000 0.504 491 T N 2.144 116.548 114.554 -0.250 0.000 2.720 491 T HA -0.168 4.182 4.350 0.000 0.000 0.268 491 T C 2.286 176.834 174.700 -0.253 0.000 1.037 491 T CA 1.359 63.302 62.100 -0.261 0.000 1.144 491 T CB -0.500 68.152 68.868 -0.361 0.000 0.864 491 T HN 0.274 nan 8.240 nan 0.000 0.444 492 L N 0.561 121.612 121.223 -0.288 0.000 1.994 492 L HA -0.083 4.257 4.340 0.000 0.000 0.208 492 L C 2.773 179.554 176.870 -0.149 0.000 1.071 492 L CA 1.643 56.336 54.840 -0.245 0.000 0.745 492 L CB -0.588 41.150 42.059 -0.535 0.000 0.892 492 L HN 0.281 nan 8.230 nan 0.000 0.431 493 A N -0.231 122.436 122.820 -0.255 0.000 1.902 493 A HA -0.199 4.121 4.320 0.000 0.000 0.217 493 A C 2.428 179.944 177.584 -0.112 0.000 1.181 493 A CA 1.798 53.730 52.037 -0.174 0.000 0.623 493 A CB -1.025 17.843 19.000 -0.221 0.000 0.818 493 A HN 0.606 nan 8.150 nan 0.000 0.443 494 A N -0.133 122.510 122.820 -0.295 0.000 1.883 494 A HA -0.083 4.238 4.320 0.000 0.000 0.217 494 A C 1.953 179.451 177.584 -0.144 0.000 1.186 494 A CA 1.813 53.709 52.037 -0.236 0.000 0.624 494 A CB -0.561 18.248 19.000 -0.318 0.000 0.822 494 A HN 0.386 nan 8.150 nan 0.000 0.444 495 I N -1.455 119.017 120.570 -0.164 0.000 2.163 495 I HA -0.223 3.948 4.170 0.000 0.000 0.243 495 I C 2.301 178.313 176.117 -0.175 0.000 1.085 495 I CA 1.088 62.205 61.300 -0.306 0.000 1.347 495 I CB -1.556 36.191 38.000 -0.422 0.000 1.044 495 I HN 0.566 nan 8.210 nan 0.000 0.408 496 Y N 1.709 121.996 120.300 -0.022 0.000 2.114 496 Y HA -0.322 4.228 4.550 0.000 0.000 0.282 496 Y C 2.615 178.512 175.900 -0.005 0.000 1.165 496 Y CA 1.937 60.088 58.100 0.086 0.000 1.148 496 Y CB -0.101 38.444 38.460 0.141 0.000 0.972 496 Y HN 0.207 nan 8.280 nan 0.000 0.504 497 Q N 0.226 120.057 119.800 0.052 0.000 2.079 497 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 497 Q C 2.507 178.447 176.000 -0.100 0.000 0.974 497 Q CA 1.534 57.315 55.803 -0.038 0.000 0.840 497 Q CB -0.649 28.107 28.738 0.030 0.000 0.898 497 Q HN 0.573 nan 8.270 nan 0.000 0.430 498 L N 0.412 121.565 121.223 -0.117 0.000 2.187 498 L HA -0.139 4.201 4.340 0.000 0.000 0.213 498 L C 2.081 178.858 176.870 -0.155 0.000 1.100 498 L CA 0.928 55.689 54.840 -0.132 0.000 0.765 498 L CB -0.457 41.501 42.059 -0.169 0.000 0.904 498 L HN 0.110 nan 8.230 nan 0.000 0.437 499 A N -0.221 122.466 122.820 -0.221 0.000 2.239 499 A HA 0.287 4.607 4.320 0.000 0.000 0.209 499 A C 1.297 178.834 177.584 -0.078 0.000 1.171 499 A CA 0.798 52.716 52.037 -0.199 0.000 0.768 499 A CB -0.703 18.111 19.000 -0.310 0.000 0.790 499 A HN 0.505 nan 8.150 nan 0.000 0.478 500 G N -1.295 107.453 108.800 -0.087 0.000 2.828 500 G HA2 -0.194 3.766 3.960 0.000 0.000 0.463 500 G HA3 -0.194 3.766 3.960 0.000 0.000 0.463 500 G C -0.299 174.574 174.900 -0.044 0.000 1.394 500 G CA -0.045 45.028 45.100 -0.046 0.000 0.862 500 G HN 0.644 nan 8.290 nan 0.000 0.540 501 Q N -0.095 119.697 119.800 -0.014 0.000 2.396 501 Q HA 0.449 4.789 4.340 0.000 0.000 0.221 501 Q C 0.975 177.009 176.000 0.058 0.000 1.025 501 Q CA 0.325 56.132 55.803 0.008 0.000 0.946 501 Q CB 0.154 28.901 28.738 0.015 0.000 1.224 501 Q HN 0.853 nan 8.270 nan 0.000 0.539 502 N N 0.119 118.869 118.700 0.083 0.000 2.814 502 N HA -0.264 4.476 4.740 0.000 0.000 0.247 502 N C -1.385 174.233 175.510 0.181 0.000 1.089 502 N CA 0.149 53.270 53.050 0.118 0.000 0.682 502 N CB -1.546 36.995 38.487 0.090 0.000 0.970 502 N HN 0.468 nan 8.380 nan 0.000 0.554 503 Y N 2.173 122.498 120.300 0.041 0.000 2.805 503 Y HA 0.148 4.698 4.550 0.000 0.000 0.337 503 Y C 0.206 176.153 175.900 0.078 0.000 1.252 503 Y CA 0.224 58.319 58.100 -0.009 0.000 1.515 503 Y CB 0.281 38.707 38.460 -0.057 0.000 1.305 503 Y HN 0.216 nan 8.280 nan 0.000 0.600 504 Y N 4.632 124.328 120.300 -1.008 0.000 2.492 504 Y HA 0.487 5.037 4.550 0.000 0.000 0.346 504 Y C -2.519 172.668 175.900 -1.189 0.000 0.997 504 Y CA -3.166 54.437 58.100 -0.828 0.000 1.025 504 Y CB 1.240 39.466 38.460 -0.391 0.000 1.263 504 Y HN 0.320 nan 8.280 nan 0.000 0.454 505 P HA -0.149 nan 4.420 nan 0.000 0.216 505 P C 1.426 178.549 177.300 -0.295 0.000 1.154 505 P CA 2.811 65.710 63.100 -0.335 0.000 0.865 505 P CB 0.050 31.695 31.700 -0.092 0.000 0.789 506 G N -0.826 107.779 108.800 -0.324 0.000 3.124 506 G HA2 -0.154 3.806 3.960 0.000 0.000 0.212 506 G HA3 -0.154 3.806 3.960 0.000 0.000 0.212 506 G C 1.395 176.196 174.900 -0.166 0.000 1.181 506 G CA -0.080 44.789 45.100 -0.385 0.000 0.803 506 G HN 0.307 nan 8.290 nan 0.000 0.529 507 Q N -0.356 119.065 119.800 -0.632 0.000 2.049 507 Q HA 0.078 4.418 4.340 0.000 0.000 0.198 507 Q C 0.414 176.424 176.000 0.017 0.000 0.971 507 Q CA 0.830 56.273 55.803 -0.599 0.000 0.833 507 Q CB 0.033 28.127 28.738 -1.074 0.000 0.896 507 Q HN 0.626 nan 8.270 nan 0.000 0.434 508 Y N -2.194 118.026 120.300 -0.133 0.000 2.774 508 Y HA 0.390 4.940 4.550 0.000 0.000 0.346 508 Y C -1.883 173.870 175.900 -0.246 0.000 1.222 508 Y CA -1.248 56.618 58.100 -0.389 0.000 1.088 508 Y CB 0.539 38.849 38.460 -0.249 0.000 1.354 508 Y HN 0.104 nan 8.280 nan 0.000 0.455 509 E N 1.272 121.242 120.200 -0.384 0.000 2.433 509 E HA 0.596 4.946 4.350 0.000 0.000 0.273 509 E C -1.899 174.619 176.600 -0.137 0.000 0.950 509 E CA -1.014 55.227 56.400 -0.266 0.000 0.796 509 E CB 2.696 32.368 29.700 -0.047 0.000 1.330 509 E HN 0.494 nan 8.360 nan 0.000 0.455 510 F N 0.348 120.369 119.950 0.119 0.000 2.378 510 F HA 0.364 4.891 4.527 0.000 0.000 0.325 510 F C 0.694 176.447 175.800 -0.077 0.000 1.097 510 F CA -0.446 57.625 58.000 0.118 0.000 1.079 510 F CB 1.558 40.654 39.000 0.160 0.000 1.240 510 F HN 0.259 nan 8.300 nan 0.000 0.519 511 Q N 1.149 121.024 119.800 0.125 0.000 2.421 511 Q HA 0.655 4.995 4.340 0.000 0.000 0.280 511 Q C -1.361 174.578 176.000 -0.101 0.000 1.085 511 Q CA -0.974 54.813 55.803 -0.026 0.000 0.807 511 Q CB 2.849 31.603 28.738 0.027 0.000 1.405 511 Q HN 0.889 nan 8.270 nan 0.000 0.419 512 C N -1.155 118.115 119.300 -0.050 0.000 3.318 512 C HA 0.709 5.169 4.460 0.000 0.000 0.322 512 C C -1.008 174.165 174.990 0.304 0.000 1.398 512 C CA -1.060 58.053 59.018 0.158 0.000 1.339 512 C CB 0.288 28.179 27.740 0.252 0.000 1.668 512 C HN 0.854 nan 8.230 nan 0.000 0.462 513 L N 1.729 123.284 121.223 0.553 0.000 2.312 513 L HA 0.358 4.699 4.340 0.000 0.000 0.281 513 L C 0.469 177.538 176.870 0.332 0.000 1.070 513 L CA -0.190 54.904 54.840 0.423 0.000 0.805 513 L CB 0.524 42.819 42.059 0.392 0.000 1.174 513 L HN 0.888 nan 8.230 nan 0.000 0.434 514 H N 2.236 121.470 119.070 0.273 0.000 3.070 514 H HA 0.201 4.757 4.556 0.000 0.000 0.313 514 H C 0.987 176.462 175.328 0.245 0.000 0.997 514 H CA 0.903 57.072 56.048 0.202 0.000 1.438 514 H CB 0.529 30.413 29.762 0.204 0.000 1.455 514 H HN 0.749 nan 8.280 nan 0.000 0.575 515 G N 3.608 112.143 108.800 -0.442 0.000 2.175 515 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 515 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 515 G C 0.782 175.613 174.900 -0.115 0.000 0.982 515 G CA 0.516 45.393 45.100 -0.372 0.000 0.641 515 G HN 0.615 nan 8.290 nan 0.000 0.527 516 M N -0.887 118.667 119.600 -0.077 0.000 2.279 516 M HA 0.284 4.764 4.480 0.000 0.000 0.278 516 M C 2.195 178.354 176.300 -0.235 0.000 1.142 516 M CA 1.201 56.375 55.300 -0.210 0.000 1.119 516 M CB 0.925 33.260 32.600 -0.442 0.000 1.741 516 M HN 0.232 nan 8.290 nan 0.000 0.601 517 G N -0.262 108.519 108.800 -0.032 0.000 2.939 517 G HA2 0.026 3.986 3.960 0.000 0.000 0.216 517 G HA3 0.026 3.986 3.960 0.000 0.000 0.216 517 G C 0.958 176.029 174.900 0.285 0.000 1.125 517 G CA 0.052 45.314 45.100 0.271 0.000 0.766 517 G HN 0.254 nan 8.290 nan 0.000 0.541 518 E N 1.307 121.578 120.200 0.119 0.000 2.070 518 E HA -0.105 4.245 4.350 0.000 0.000 0.197 518 E C -0.184 176.477 176.600 0.101 0.000 1.004 518 E CA 1.770 58.217 56.400 0.079 0.000 0.805 518 E CB -0.631 29.049 29.700 -0.034 0.000 0.744 518 E HN 0.357 nan 8.360 nan 0.000 0.451 519 P HA -0.123 nan 4.420 nan 0.000 0.217 519 P C 1.356 178.650 177.300 -0.011 0.000 1.151 519 P CA 0.687 63.796 63.100 0.015 0.000 0.828 519 P CB 0.094 31.788 31.700 -0.010 0.000 0.788 520 L N -1.564 119.633 121.223 -0.043 0.000 2.027 520 L HA -0.100 4.240 4.340 0.000 0.000 0.206 520 L C 1.986 178.687 176.870 -0.280 0.000 1.074 520 L CA 1.903 56.610 54.840 -0.221 0.000 0.745 520 L CB -1.386 40.447 42.059 -0.377 0.000 0.898 520 L HN -0.064 nan 8.230 nan 0.000 0.433 521 Y N -0.884 119.444 120.300 0.047 0.000 2.511 521 Y HA 0.041 4.591 4.550 0.000 0.000 0.279 521 Y C 2.249 178.262 175.900 0.188 0.000 1.157 521 Y CA 0.149 58.308 58.100 0.098 0.000 1.300 521 Y CB 0.066 38.674 38.460 0.246 0.000 1.052 521 Y HN 0.189 nan 8.280 nan 0.000 0.529 522 E N 0.390 120.753 120.200 0.271 0.000 2.268 522 E HA -0.163 4.188 4.350 0.000 0.000 0.195 522 E C 1.279 177.933 176.600 0.090 0.000 0.995 522 E CA 0.896 57.424 56.400 0.213 0.000 0.836 522 E CB -0.050 29.728 29.700 0.131 0.000 0.763 522 E HN 0.657 nan 8.360 nan 0.000 0.491 523 Q N -0.359 119.447 119.800 0.011 0.000 2.444 523 Q HA 0.042 4.382 4.340 0.000 0.000 0.206 523 Q C 1.595 177.545 176.000 -0.084 0.000 0.948 523 Q CA 0.217 55.987 55.803 -0.054 0.000 0.946 523 Q CB 0.763 29.433 28.738 -0.113 0.000 1.027 523 Q HN 0.062 nan 8.270 nan 0.000 0.513 524 V N -0.930 118.953 119.914 -0.051 0.000 2.950 524 V HA 0.023 4.143 4.120 0.000 0.000 0.231 524 V C 0.775 176.845 176.094 -0.041 0.000 1.205 524 V CA 0.591 62.848 62.300 -0.072 0.000 1.239 524 V CB 0.853 32.632 31.823 -0.073 0.000 1.050 524 V HN 0.054 nan 8.190 nan 0.000 0.498 525 T N 1.884 116.392 114.554 -0.077 0.000 2.752 525 T HA 0.573 4.923 4.350 0.000 0.000 0.295 525 T C 0.208 174.836 174.700 -0.121 0.000 0.923 525 T CA 0.935 62.897 62.100 -0.230 0.000 1.112 525 T CB 0.279 68.677 68.868 -0.784 0.000 0.884 525 T HN 0.879 nan 8.240 nan 0.000 0.525 526 G N 2.822 111.577 108.800 -0.075 0.000 2.369 526 G HA2 0.126 4.086 3.960 0.000 0.000 0.295 526 G HA3 0.126 4.086 3.960 0.000 0.000 0.295 526 G C -1.499 173.399 174.900 -0.003 0.000 1.298 526 G CA -1.202 43.888 45.100 -0.017 0.000 0.940 526 G HN 0.595 nan 8.290 nan 0.000 0.536 527 K N -0.132 120.276 120.400 0.014 0.000 2.326 527 K HA 0.410 4.730 4.320 0.000 0.000 0.275 527 K C 1.513 178.121 176.600 0.014 0.000 1.018 527 K CA -0.285 56.013 56.287 0.018 0.000 0.962 527 K CB 1.830 34.345 32.500 0.025 0.000 0.953 527 K HN 0.279 nan 8.250 nan 0.000 0.475 528 V N 2.513 122.438 119.914 0.019 0.000 2.469 528 V HA -0.289 3.831 4.120 0.000 0.000 0.251 528 V C 1.986 178.090 176.094 0.016 0.000 1.064 528 V CA 2.392 64.703 62.300 0.018 0.000 1.066 528 V CB -0.634 31.207 31.823 0.030 0.000 0.667 528 V HN 0.965 nan 8.190 nan 0.000 0.461 529 A N -0.475 122.356 122.820 0.019 0.000 2.121 529 A HA -0.156 4.164 4.320 0.000 0.000 0.218 529 A C 1.564 179.157 177.584 0.015 0.000 1.154 529 A CA 1.521 53.569 52.037 0.017 0.000 0.679 529 A CB -0.349 18.663 19.000 0.019 0.000 0.795 529 A HN 0.551 nan 8.150 nan 0.000 0.458 530 D N -0.899 119.510 120.400 0.015 0.000 2.358 530 D HA 0.318 4.958 4.640 0.000 0.000 0.224 530 D C 1.219 177.523 176.300 0.007 0.000 1.123 530 D CA 0.845 54.854 54.000 0.014 0.000 0.833 530 D CB -0.093 40.719 40.800 0.020 0.000 0.946 530 D HN 0.495 nan 8.370 nan 0.000 0.505 531 G N 1.064 109.865 108.800 0.002 0.000 2.143 531 G HA2 -0.280 3.680 3.960 0.000 0.000 0.248 531 G HA3 -0.280 3.680 3.960 0.000 0.000 0.248 531 G C 0.347 175.233 174.900 -0.023 0.000 0.991 531 G CA 0.110 45.204 45.100 -0.009 0.000 0.689 531 G HN 0.189 nan 8.290 nan 0.000 0.522 532 K N -0.409 119.980 120.400 -0.018 0.000 2.168 532 K HA 0.647 4.968 4.320 0.000 0.000 0.239 532 K C 1.448 178.022 176.600 -0.044 0.000 0.999 532 K CA -1.061 55.205 56.287 -0.035 0.000 0.900 532 K CB 0.870 33.358 32.500 -0.019 0.000 1.111 532 K HN 0.062 nan 8.250 nan 0.000 0.452 533 L N 0.348 121.527 121.223 -0.073 0.000 2.418 533 L HA 0.019 4.359 4.340 0.000 0.000 0.218 533 L C 0.576 177.445 176.870 -0.002 0.000 1.125 533 L CA 0.326 55.128 54.840 -0.064 0.000 0.835 533 L CB -0.473 41.481 42.059 -0.175 0.000 0.953 533 L HN 0.828 nan 8.230 nan 0.000 0.454 534 N N 1.370 120.054 118.700 -0.027 0.000 2.746 534 N HA -0.158 4.582 4.740 0.000 0.000 0.250 534 N C -0.788 174.644 175.510 -0.131 0.000 1.055 534 N CA -0.050 52.975 53.050 -0.041 0.000 0.699 534 N CB -0.098 38.389 38.487 0.001 0.000 0.919 534 N HN 0.191 nan 8.380 nan 0.000 0.548 535 R N 0.888 121.321 120.500 -0.112 0.000 2.561 535 R HA 0.492 4.832 4.340 0.000 0.000 0.297 535 R C -2.472 173.790 176.300 -0.063 0.000 0.969 535 R CA -1.545 54.445 56.100 -0.183 0.000 0.879 535 R CB 1.601 31.920 30.300 0.032 0.000 1.178 535 R HN 0.154 nan 8.270 nan 0.000 0.445 536 P HA 0.142 nan 4.420 nan 0.000 0.275 536 P C -0.408 176.858 177.300 -0.057 0.000 1.228 536 P CA -0.343 62.699 63.100 -0.096 0.000 0.786 536 P CB 1.078 32.762 31.700 -0.026 0.000 0.927 537 C N 4.413 123.597 119.300 -0.193 0.000 2.441 537 C HA 0.498 4.958 4.460 0.000 0.000 0.318 537 C C 0.071 175.026 174.990 -0.059 0.000 1.222 537 C CA -0.672 58.253 59.018 -0.155 0.000 1.474 537 C CB 0.511 28.049 27.740 -0.335 0.000 2.125 537 C HN 0.668 nan 8.230 nan 0.000 0.479 538 R N 5.643 126.123 120.500 -0.034 0.000 2.255 538 R HA 0.620 4.961 4.340 0.000 0.000 0.326 538 R C -0.761 175.500 176.300 -0.065 0.000 0.986 538 R CA -0.428 55.653 56.100 -0.032 0.000 0.847 538 R CB 0.578 30.889 30.300 0.018 0.000 1.111 538 R HN 0.806 nan 8.270 nan 0.000 0.452 539 I N 4.711 125.158 120.570 -0.205 0.000 2.365 539 I HA 0.104 4.274 4.170 0.000 0.000 0.291 539 I C -0.377 175.700 176.117 -0.067 0.000 1.004 539 I CA -0.727 60.464 61.300 -0.183 0.000 1.311 539 I CB 0.875 38.574 38.000 -0.502 0.000 1.401 539 I HN 0.578 nan 8.210 nan 0.000 0.491 540 Y N 6.211 126.497 120.300 -0.023 0.000 2.365 540 Y HA 0.500 5.050 4.550 0.000 0.000 0.340 540 Y C 0.050 176.001 175.900 0.085 0.000 1.016 540 Y CA -0.598 57.517 58.100 0.025 0.000 1.196 540 Y CB 0.928 39.438 38.460 0.083 0.000 1.167 540 Y HN 0.610 nan 8.280 nan 0.000 0.509 541 A N 9.188 131.869 122.820 -0.232 0.000 2.508 541 A HA 0.506 4.826 4.320 0.000 0.000 0.336 541 A C -2.895 174.592 177.584 -0.162 0.000 1.360 541 A CA -1.911 50.071 52.037 -0.091 0.000 0.841 541 A CB -0.047 18.905 19.000 -0.080 0.000 1.136 541 A HN 0.578 nan 8.150 nan 0.000 0.489 542 P HA 0.262 nan 4.420 nan 0.000 0.268 542 P C -0.554 176.698 177.300 -0.079 0.000 1.204 542 P CA 0.160 63.134 63.100 -0.211 0.000 0.768 542 P CB 1.132 32.626 31.700 -0.345 0.000 0.842 543 V N 3.427 123.301 119.914 -0.066 0.000 2.525 543 V HA 0.887 5.007 4.120 0.000 0.000 0.299 543 V C 0.427 176.506 176.094 -0.025 0.000 1.034 543 V CA -0.086 62.197 62.300 -0.029 0.000 0.863 543 V CB 1.406 33.218 31.823 -0.019 0.000 0.999 543 V HN 0.908 nan 8.190 nan 0.000 0.423 544 G N 2.655 111.449 108.800 -0.010 0.000 2.321 544 G HA2 0.485 4.445 3.960 0.000 0.000 0.298 544 G HA3 0.485 4.445 3.960 0.000 0.000 0.298 544 G C -0.558 174.353 174.900 0.019 0.000 1.385 544 G CA 0.002 45.105 45.100 0.005 0.000 0.856 544 G HN 0.865 nan 8.290 nan 0.000 0.584 545 T N -3.545 111.023 114.554 0.023 0.000 2.810 545 T HA 0.520 4.870 4.350 0.000 0.000 0.277 545 T C 1.744 176.471 174.700 0.045 0.000 0.973 545 T CA 1.365 63.482 62.100 0.028 0.000 0.949 545 T CB 0.372 69.251 68.868 0.018 0.000 1.075 545 T HN 2.018 nan 8.240 nan 0.000 0.537 546 H N -1.262 117.835 119.070 0.045 0.000 2.489 546 H HA 0.200 4.756 4.556 0.000 0.000 0.293 546 H C 2.424 177.789 175.328 0.061 0.000 1.066 546 H CA 2.046 58.129 56.048 0.057 0.000 1.305 546 H CB -1.332 28.459 29.762 0.048 0.000 1.386 546 H HN 0.975 nan 8.280 nan 0.000 0.551 547 E N 0.673 120.904 120.200 0.052 0.000 2.418 547 E HA -0.027 4.323 4.350 0.000 0.000 0.197 547 E C 2.046 178.692 176.600 0.077 0.000 1.026 547 E CA 1.338 57.771 56.400 0.055 0.000 0.862 547 E CB -0.838 28.884 29.700 0.037 0.000 0.799 547 E HN 0.911 nan 8.360 nan 0.000 0.518 548 T N -3.039 111.566 114.554 0.085 0.000 3.132 548 T HA 0.330 4.680 4.350 0.000 0.000 0.274 548 T C 1.365 176.129 174.700 0.107 0.000 1.011 548 T CA 0.234 62.398 62.100 0.107 0.000 0.899 548 T CB 0.305 69.236 68.868 0.104 0.000 1.089 548 T HN 0.141 nan 8.240 nan 0.000 0.543 549 L N 0.648 121.939 121.223 0.113 0.000 2.354 549 L HA 0.488 4.828 4.340 0.000 0.000 0.212 549 L C 1.833 178.806 176.870 0.172 0.000 1.091 549 L CA 0.652 55.580 54.840 0.147 0.000 0.828 549 L CB -0.617 41.529 42.059 0.144 0.000 0.973 549 L HN 0.315 nan 8.230 nan 0.000 0.461 550 L N 0.328 121.631 121.223 0.134 0.000 1.989 550 L HA -0.112 4.228 4.340 0.000 0.000 0.211 550 L C 2.463 179.400 176.870 0.113 0.000 1.071 550 L CA 2.331 57.239 54.840 0.115 0.000 0.749 550 L CB -1.118 40.996 42.059 0.092 0.000 0.890 550 L HN 0.227 nan 8.230 nan 0.000 0.431 551 A N -1.617 121.279 122.820 0.126 0.000 1.898 551 A HA -0.263 4.057 4.320 0.000 0.000 0.216 551 A C 2.313 179.951 177.584 0.090 0.000 1.181 551 A CA 1.691 53.794 52.037 0.109 0.000 0.620 551 A CB -1.252 17.829 19.000 0.136 0.000 0.819 551 A HN 0.639 nan 8.150 nan 0.000 0.442 552 Y N 0.212 120.524 120.300 0.020 0.000 2.128 552 Y HA -0.219 4.331 4.550 0.000 0.000 0.284 552 Y C 2.166 178.024 175.900 -0.069 0.000 1.154 552 Y CA 1.889 59.981 58.100 -0.012 0.000 1.149 552 Y CB -0.186 38.302 38.460 0.047 0.000 0.976 552 Y HN 0.249 nan 8.280 nan 0.000 0.505 553 L N -0.483 120.779 121.223 0.064 0.000 2.012 553 L HA -0.203 4.137 4.340 0.000 0.000 0.210 553 L C 2.267 179.062 176.870 -0.124 0.000 1.073 553 L CA 1.977 56.804 54.840 -0.023 0.000 0.748 553 L CB -1.096 41.038 42.059 0.125 0.000 0.891 553 L HN 0.267 nan 8.230 nan 0.000 0.431 554 V N 0.511 120.388 119.914 -0.062 0.000 2.332 554 V HA -0.291 3.830 4.120 0.000 0.000 0.248 554 V C 2.790 178.802 176.094 -0.137 0.000 1.055 554 V CA 1.872 64.135 62.300 -0.061 0.000 1.038 554 V CB -0.629 31.186 31.823 -0.013 0.000 0.651 554 V HN 0.479 nan 8.190 nan 0.000 0.450 555 R N -0.407 119.964 120.500 -0.216 0.000 2.091 555 R HA -0.126 4.214 4.340 0.000 0.000 0.238 555 R C 2.526 178.616 176.300 -0.351 0.000 1.136 555 R CA 1.141 57.065 56.100 -0.293 0.000 0.959 555 R CB -0.365 29.691 30.300 -0.407 0.000 0.856 555 R HN 0.406 nan 8.270 nan 0.000 0.437 556 R N 0.862 121.051 120.500 -0.519 0.000 2.096 556 R HA -0.074 4.266 4.340 0.000 0.000 0.235 556 R C 2.328 178.440 176.300 -0.315 0.000 1.127 556 R CA 1.068 56.807 56.100 -0.603 0.000 0.968 556 R CB -0.714 28.858 30.300 -1.212 0.000 0.861 556 R HN 0.310 nan 8.270 nan 0.000 0.440 557 L N 0.447 121.555 121.223 -0.191 0.000 2.056 557 L HA -0.141 4.199 4.340 0.000 0.000 0.207 557 L C 2.485 179.322 176.870 -0.054 0.000 1.078 557 L CA 1.093 55.894 54.840 -0.066 0.000 0.749 557 L CB -0.535 41.512 42.059 -0.020 0.000 0.901 557 L HN 0.113 nan 8.230 nan 0.000 0.433 558 L N -0.369 120.815 121.223 -0.065 0.000 2.083 558 L HA -0.221 4.119 4.340 0.000 0.000 0.209 558 L C 2.636 179.486 176.870 -0.035 0.000 1.083 558 L CA 1.273 56.097 54.840 -0.027 0.000 0.752 558 L CB -0.436 41.621 42.059 -0.003 0.000 0.899 558 L HN 0.333 nan 8.230 nan 0.000 0.433 559 E N 0.194 120.349 120.200 -0.075 0.000 2.047 559 E HA -0.200 4.150 4.350 0.000 0.000 0.191 559 E C 1.919 178.495 176.600 -0.039 0.000 0.987 559 E CA 0.982 57.344 56.400 -0.063 0.000 0.799 559 E CB 0.107 29.747 29.700 -0.099 0.000 0.752 559 E HN 0.462 nan 8.360 nan 0.000 0.449 560 N N -0.305 118.371 118.700 -0.041 0.000 2.244 560 N HA -0.083 4.657 4.740 0.000 0.000 0.183 560 N C 1.609 177.114 175.510 -0.009 0.000 1.016 560 N CA 1.208 54.254 53.050 -0.008 0.000 0.866 560 N CB 0.042 38.548 38.487 0.031 0.000 0.980 560 N HN 0.209 nan 8.380 nan 0.000 0.430 561 G N -0.368 108.424 108.800 -0.012 0.000 3.088 561 G HA2 0.312 4.272 3.960 0.000 0.000 0.217 561 G HA3 0.312 4.272 3.960 0.000 0.000 0.217 561 G C 0.304 175.194 174.900 -0.016 0.000 1.159 561 G CA 0.016 45.110 45.100 -0.010 0.000 0.760 561 G HN 0.298 nan 8.290 nan 0.000 0.550 562 A N 1.425 124.231 122.820 -0.024 0.000 2.409 562 A HA 0.341 4.661 4.320 0.000 0.000 0.262 562 A C 1.513 179.069 177.584 -0.047 0.000 1.113 562 A CA -0.118 51.898 52.037 -0.035 0.000 0.790 562 A CB 0.341 19.310 19.000 -0.052 0.000 1.046 562 A HN 0.346 nan 8.150 nan 0.000 0.496 563 N N 1.998 120.669 118.700 -0.047 0.000 2.459 563 N HA -0.162 4.578 4.740 0.000 0.000 0.181 563 N C 1.027 176.497 175.510 -0.067 0.000 1.046 563 N CA 1.831 54.849 53.050 -0.053 0.000 0.904 563 N CB -0.417 38.046 38.487 -0.041 0.000 0.964 563 N HN 0.640 nan 8.380 nan 0.000 0.444 564 T N -2.912 111.593 114.554 -0.081 0.000 3.043 564 T HA 0.102 4.453 4.350 0.000 0.000 0.263 564 T C 0.925 175.583 174.700 -0.072 0.000 1.094 564 T CA -0.150 61.894 62.100 -0.094 0.000 1.127 564 T CB -0.339 68.440 68.868 -0.148 0.000 0.905 564 T HN 0.023 nan 8.240 nan 0.000 0.490 565 S N 1.718 117.383 115.700 -0.058 0.000 2.537 565 S HA 0.275 4.745 4.470 0.000 0.000 0.286 565 S C 0.441 175.054 174.600 0.022 0.000 1.299 565 S CA -0.696 57.498 58.200 -0.009 0.000 1.067 565 S CB 0.257 63.452 63.200 -0.009 0.000 0.864 565 S HN 0.409 nan 8.310 nan 0.000 0.494 566 F N 4.469 124.380 119.950 -0.066 0.000 2.161 566 F HA -0.193 4.334 4.527 0.000 0.000 0.300 566 F C 2.091 177.860 175.800 -0.053 0.000 1.089 566 F CA 1.896 59.860 58.000 -0.060 0.000 1.282 566 F CB -0.291 38.674 39.000 -0.058 0.000 1.010 566 F HN 0.502 nan 8.300 nan 0.000 0.485 567 V N -1.245 118.768 119.914 0.165 0.000 2.626 567 V HA -0.237 3.884 4.120 0.000 0.000 0.252 567 V C 2.183 178.234 176.094 -0.072 0.000 1.067 567 V CA 2.195 64.532 62.300 0.062 0.000 1.081 567 V CB -1.130 30.741 31.823 0.080 0.000 0.686 567 V HN 0.547 nan 8.190 nan 0.000 0.468 568 N N 1.209 119.863 118.700 -0.076 0.000 2.207 568 N HA -0.081 4.659 4.740 0.000 0.000 0.182 568 N C 2.074 177.497 175.510 -0.145 0.000 1.020 568 N CA 1.448 54.443 53.050 -0.090 0.000 0.858 568 N CB -0.032 38.417 38.487 -0.063 0.000 0.991 568 N HN 0.511 nan 8.380 nan 0.000 0.427 569 R N 0.115 120.491 120.500 -0.207 0.000 2.193 569 R HA 0.042 4.382 4.340 0.000 0.000 0.213 569 R C 2.016 178.114 176.300 -0.337 0.000 1.055 569 R CA 0.290 56.242 56.100 -0.246 0.000 0.995 569 R CB -0.085 30.067 30.300 -0.246 0.000 0.893 569 R HN 0.197 nan 8.270 nan 0.000 0.459 570 I N 0.671 120.962 120.570 -0.465 0.000 2.439 570 I HA -0.140 4.030 4.170 0.000 0.000 0.251 570 I C 2.032 178.000 176.117 -0.247 0.000 1.139 570 I CA 1.062 62.090 61.300 -0.453 0.000 1.438 570 I CB -0.089 37.597 38.000 -0.524 0.000 1.085 570 I HN 0.099 nan 8.210 nan 0.000 0.427 571 A N -0.808 121.899 122.820 -0.189 0.000 1.898 571 A HA -0.195 4.125 4.320 0.000 0.000 0.216 571 A C 1.468 178.983 177.584 -0.115 0.000 1.181 571 A CA 1.145 53.106 52.037 -0.127 0.000 0.620 571 A CB -0.767 18.175 19.000 -0.097 0.000 0.819 571 A HN 0.466 nan 8.150 nan 0.000 0.442 572 D N 0.631 120.957 120.400 -0.124 0.000 2.389 572 D HA 0.035 4.675 4.640 0.000 0.000 0.278 572 D C 0.536 176.777 176.300 -0.099 0.000 1.398 572 D CA 0.424 54.362 54.000 -0.102 0.000 1.090 572 D CB 0.402 41.139 40.800 -0.106 0.000 1.108 572 D HN 0.214 nan 8.370 nan 0.000 0.532 573 T N 1.937 116.442 114.554 -0.080 0.000 3.035 573 T HA -0.092 4.259 4.350 0.000 0.000 0.268 573 T C 2.093 176.756 174.700 -0.062 0.000 1.109 573 T CA 1.402 63.458 62.100 -0.073 0.000 1.119 573 T CB 0.143 68.975 68.868 -0.061 0.000 0.900 573 T HN 0.540 nan 8.240 nan 0.000 0.503 574 S N 0.634 116.301 115.700 -0.056 0.000 2.383 574 S HA 0.122 4.592 4.470 0.000 0.000 0.227 574 S C 0.925 175.496 174.600 -0.048 0.000 1.026 574 S CA 0.619 58.791 58.200 -0.045 0.000 0.981 574 S CB -0.322 62.854 63.200 -0.040 0.000 0.818 574 S HN 0.329 nan 8.310 nan 0.000 0.472 575 L N 3.589 124.773 121.223 -0.064 0.000 2.369 575 L HA 0.356 4.696 4.340 0.000 0.000 0.279 575 L C -2.417 174.412 176.870 -0.067 0.000 1.108 575 L CA -1.977 52.823 54.840 -0.066 0.000 0.852 575 L CB 0.911 42.917 42.059 -0.089 0.000 1.169 575 L HN 0.021 nan 8.230 nan 0.000 0.452 576 P HA 0.105 nan 4.420 nan 0.000 0.274 576 P C 0.995 178.276 177.300 -0.032 0.000 1.246 576 P CA -0.382 62.703 63.100 -0.025 0.000 0.795 576 P CB 0.890 32.597 31.700 0.013 0.000 1.006 577 L N 0.271 121.469 121.223 -0.040 0.000 2.042 577 L HA -0.205 4.135 4.340 0.000 0.000 0.210 577 L C 1.771 178.669 176.870 0.047 0.000 1.076 577 L CA 1.770 56.550 54.840 -0.100 0.000 0.749 577 L CB -0.742 41.099 42.059 -0.363 0.000 0.893 577 L HN 0.334 nan 8.230 nan 0.000 0.432 578 D N -0.110 120.398 120.400 0.179 0.000 2.144 578 D HA -0.173 4.468 4.640 0.000 0.000 0.199 578 D C 2.121 178.508 176.300 0.145 0.000 0.984 578 D CA 1.114 55.263 54.000 0.248 0.000 0.834 578 D CB -0.033 40.915 40.800 0.246 0.000 0.955 578 D HN 0.398 nan 8.370 nan 0.000 0.465 579 E N -0.096 120.145 120.200 0.068 0.000 2.107 579 E HA -0.099 4.251 4.350 0.000 0.000 0.191 579 E C 2.019 178.622 176.600 0.004 0.000 0.982 579 E CA 0.127 56.541 56.400 0.023 0.000 0.809 579 E CB 0.001 29.699 29.700 -0.004 0.000 0.756 579 E HN 0.104 nan 8.360 nan 0.000 0.459 580 L N 0.794 122.011 121.223 -0.011 0.000 2.017 580 L HA -0.113 4.227 4.340 0.000 0.000 0.208 580 L C 1.958 178.876 176.870 0.080 0.000 1.073 580 L CA 1.354 56.177 54.840 -0.028 0.000 0.745 580 L CB -0.101 41.883 42.059 -0.124 0.000 0.894 580 L HN 0.124 nan 8.230 nan 0.000 0.432 581 V N -1.985 117.988 119.914 0.099 0.000 3.337 581 V HA 0.516 4.636 4.120 0.000 0.000 0.343 581 V C 0.907 177.043 176.094 0.071 0.000 1.302 581 V CA -0.266 62.119 62.300 0.141 0.000 1.268 581 V CB -1.609 30.295 31.823 0.135 0.000 1.185 581 V HN 0.334 nan 8.190 nan 0.000 0.447 582 A N 1.156 123.981 122.820 0.008 0.000 2.462 582 A HA 0.320 4.640 4.320 0.000 0.000 0.243 582 A C 0.286 177.720 177.584 -0.251 0.000 1.076 582 A CA 0.231 52.249 52.037 -0.031 0.000 0.773 582 A CB 0.036 19.019 19.000 -0.028 0.000 1.010 582 A HN 0.709 nan 8.150 nan 0.000 0.493 583 D N 2.655 122.938 120.400 -0.195 0.000 2.417 583 D HA 0.181 4.821 4.640 0.000 0.000 0.250 583 D C -1.212 174.970 176.300 -0.196 0.000 1.166 583 D CA -1.276 52.555 54.000 -0.282 0.000 0.881 583 D CB 0.861 41.646 40.800 -0.025 0.000 1.164 583 D HN 0.190 nan 8.370 nan 0.000 0.467 584 P HA -0.135 nan 4.420 nan 0.000 0.219 584 P C 1.562 178.849 177.300 -0.022 0.000 1.150 584 P CA 0.348 63.393 63.100 -0.092 0.000 0.814 584 P CB 0.225 31.886 31.700 -0.065 0.000 0.787 585 V N 0.582 120.495 119.914 -0.001 0.000 2.255 585 V HA -0.239 3.881 4.120 0.000 0.000 0.247 585 V C 2.592 178.692 176.094 0.009 0.000 1.051 585 V CA 2.722 65.032 62.300 0.016 0.000 1.018 585 V CB -1.931 29.906 31.823 0.022 0.000 0.641 585 V HN 0.175 nan 8.190 nan 0.000 0.445 586 T N 0.284 114.835 114.554 -0.004 0.000 2.759 586 T HA -0.206 4.144 4.350 0.000 0.000 0.269 586 T C 2.004 176.698 174.700 -0.011 0.000 1.042 586 T CA 1.646 63.740 62.100 -0.010 0.000 1.140 586 T CB -0.447 68.409 68.868 -0.020 0.000 0.864 586 T HN 0.591 nan 8.240 nan 0.000 0.455 587 A N 0.660 123.468 122.820 -0.020 0.000 1.933 587 A HA -0.033 4.287 4.320 0.000 0.000 0.218 587 A C 2.547 180.138 177.584 0.012 0.000 1.175 587 A CA 1.232 53.258 52.037 -0.019 0.000 0.628 587 A CB -0.815 18.160 19.000 -0.042 0.000 0.814 587 A HN 0.382 nan 8.150 nan 0.000 0.444 588 V N -0.039 119.901 119.914 0.043 0.000 2.453 588 V HA -0.192 3.928 4.120 0.000 0.000 0.247 588 V C 2.304 178.439 176.094 0.068 0.000 1.048 588 V CA 1.995 64.357 62.300 0.103 0.000 1.049 588 V CB -0.660 31.247 31.823 0.140 0.000 0.672 588 V HN 0.632 nan 8.190 nan 0.000 0.457 589 E N -0.067 120.154 120.200 0.035 0.000 2.150 589 E HA -0.217 4.133 4.350 0.000 0.000 0.193 589 E C 2.246 178.856 176.600 0.017 0.000 0.985 589 E CA 0.892 57.305 56.400 0.022 0.000 0.814 589 E CB -0.093 29.614 29.700 0.011 0.000 0.752 589 E HN 0.452 nan 8.360 nan 0.000 0.466 590 K N 1.224 121.631 120.400 0.011 0.000 2.057 590 K HA -0.121 4.199 4.320 0.000 0.000 0.206 590 K C 2.165 178.769 176.600 0.007 0.000 1.050 590 K CA 0.766 57.055 56.287 0.003 0.000 0.935 590 K CB -0.050 32.446 32.500 -0.007 0.000 0.715 590 K HN 0.121 nan 8.250 nan 0.000 0.439 591 L N 0.663 121.896 121.223 0.017 0.000 2.046 591 L HA -0.175 4.165 4.340 0.000 0.000 0.208 591 L C 2.622 179.512 176.870 0.035 0.000 1.077 591 L CA 1.280 56.134 54.840 0.023 0.000 0.747 591 L CB -0.479 41.605 42.059 0.042 0.000 0.896 591 L HN 0.267 nan 8.230 nan 0.000 0.432 592 A N -1.098 121.748 122.820 0.043 0.000 1.933 592 A HA -0.238 4.082 4.320 0.000 0.000 0.218 592 A C 2.269 179.867 177.584 0.022 0.000 1.175 592 A CA 1.426 53.485 52.037 0.037 0.000 0.628 592 A CB -0.426 18.593 19.000 0.032 0.000 0.814 592 A HN 0.405 nan 8.150 nan 0.000 0.444 593 Q N -0.560 119.249 119.800 0.016 0.000 2.172 593 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 593 Q C 2.138 178.142 176.000 0.008 0.000 0.964 593 Q CA 1.772 57.581 55.803 0.009 0.000 0.855 593 Q CB -0.131 28.610 28.738 0.005 0.000 0.918 593 Q HN 0.871 nan 8.270 nan 0.000 0.444 594 Q N -0.202 119.603 119.800 0.007 0.000 2.187 594 Q HA -0.095 4.246 4.340 0.000 0.000 0.199 594 Q C 0.891 176.895 176.000 0.007 0.000 0.957 594 Q CA 1.062 56.867 55.803 0.004 0.000 0.857 594 Q CB 0.316 29.053 28.738 -0.002 0.000 0.929 594 Q HN 0.368 nan 8.270 nan 0.000 0.453 595 E N -1.838 118.370 120.200 0.014 0.000 2.473 595 E HA 0.156 4.507 4.350 0.000 0.000 0.204 595 E C 0.639 177.251 176.600 0.020 0.000 0.994 595 E CA 0.381 56.792 56.400 0.018 0.000 0.945 595 E CB 1.124 30.840 29.700 0.027 0.000 0.990 595 E HN 0.513 nan 8.360 nan 0.000 0.493 596 G N 1.811 110.622 108.800 0.019 0.000 2.176 596 G HA2 -0.286 3.674 3.960 0.000 0.000 0.232 596 G HA3 -0.286 3.674 3.960 0.000 0.000 0.232 596 G C 0.153 175.065 174.900 0.020 0.000 0.986 596 G CA 0.359 45.469 45.100 0.017 0.000 0.643 596 G HN 0.251 nan 8.290 nan 0.000 0.522 597 Q N -0.279 119.536 119.800 0.026 0.000 2.479 597 Q HA 0.516 4.856 4.340 0.000 0.000 0.276 597 Q C -0.953 175.065 176.000 0.031 0.000 0.989 597 Q CA -0.381 55.437 55.803 0.025 0.000 0.864 597 Q CB 1.116 29.871 28.738 0.028 0.000 1.444 597 Q HN 0.167 nan 8.270 nan 0.000 0.388 598 T N 1.273 115.837 114.554 0.016 0.000 2.832 598 T HA 0.491 4.842 4.350 0.000 0.000 0.296 598 T C 0.691 175.372 174.700 -0.032 0.000 0.968 598 T CA 0.832 62.934 62.100 0.003 0.000 1.107 598 T CB 0.880 69.740 68.868 -0.014 0.000 0.916 598 T HN 0.982 nan 8.240 nan 0.000 0.517 599 G N 2.876 111.639 108.800 -0.062 0.000 2.182 599 G HA2 -0.204 3.756 3.960 0.000 0.000 0.248 599 G HA3 -0.204 3.756 3.960 0.000 0.000 0.248 599 G C 0.043 174.934 174.900 -0.015 0.000 1.042 599 G CA -0.491 44.436 45.100 -0.289 0.000 0.775 599 G HN 0.684 nan 8.290 nan 0.000 0.501 600 L N 0.413 121.732 121.223 0.159 0.000 2.439 600 L HA 0.300 4.640 4.340 0.000 0.000 0.269 600 L C -1.134 175.919 176.870 0.306 0.000 1.179 600 L CA -1.795 53.152 54.840 0.178 0.000 0.828 600 L CB 0.522 42.659 42.059 0.130 0.000 1.106 600 L HN 0.001 nan 8.230 nan 0.000 0.467 601 P HA -0.054 nan 4.420 nan 0.000 0.272 601 P C -0.511 176.939 177.300 0.250 0.000 1.248 601 P CA -0.223 63.062 63.100 0.309 0.000 0.799 601 P CB 0.257 32.110 31.700 0.255 0.000 0.997 602 H N 2.590 121.746 119.070 0.143 0.000 2.928 602 H HA 0.003 4.559 4.556 0.000 0.000 0.338 602 H C -1.253 174.120 175.328 0.076 0.000 1.047 602 H CA -1.010 55.083 56.048 0.075 0.000 1.435 602 H CB 0.460 30.263 29.762 0.068 0.000 1.428 602 H HN 0.253 nan 8.280 nan 0.000 0.590 603 P HA -0.133 nan 4.420 nan 0.000 0.216 603 P C 0.534 177.953 177.300 0.198 0.000 1.150 603 P CA 1.520 64.670 63.100 0.082 0.000 0.837 603 P CB 0.318 32.003 31.700 -0.024 0.000 0.786 604 K N -0.714 119.926 120.400 0.400 0.000 2.444 604 K HA 0.186 4.506 4.320 0.000 0.000 0.193 604 K C 0.711 177.403 176.600 0.153 0.000 1.024 604 K CA 0.247 56.684 56.287 0.249 0.000 1.077 604 K CB 0.137 32.772 32.500 0.224 0.000 0.833 604 K HN 0.263 nan 8.250 nan 0.000 0.517 605 I N 3.497 124.176 120.570 0.182 0.000 2.621 605 I HA 0.165 4.335 4.170 0.000 0.000 0.276 605 I C -2.339 173.880 176.117 0.170 0.000 1.118 605 I CA -2.132 59.219 61.300 0.085 0.000 1.159 605 I CB 1.017 38.983 38.000 -0.057 0.000 1.357 605 I HN -0.128 nan 8.210 nan 0.000 0.513 606 P HA 0.194 nan 4.420 nan 0.000 0.274 606 P C -0.049 177.401 177.300 0.249 0.000 1.246 606 P CA -0.402 62.804 63.100 0.177 0.000 0.795 606 P CB 1.072 32.839 31.700 0.111 0.000 1.006 607 L N 2.082 123.407 121.223 0.170 0.000 2.529 607 L HA -0.043 4.297 4.340 0.000 0.000 0.287 607 L C -0.958 175.879 176.870 -0.055 0.000 1.241 607 L CA -1.004 53.858 54.840 0.037 0.000 0.857 607 L CB -0.552 41.496 42.059 -0.017 0.000 1.113 607 L HN 0.320 nan 8.230 nan 0.000 0.504 608 P HA -0.179 nan 4.420 nan 0.000 0.217 608 P C 0.935 178.177 177.300 -0.096 0.000 1.148 608 P CA 1.451 64.442 63.100 -0.182 0.000 0.834 608 P CB 0.089 31.601 31.700 -0.313 0.000 0.783 609 R N -0.923 119.521 120.500 -0.094 0.000 2.328 609 R HA 0.048 4.388 4.340 0.000 0.000 0.206 609 R C -0.080 176.203 176.300 -0.028 0.000 0.990 609 R CA 0.253 56.318 56.100 -0.059 0.000 1.085 609 R CB -0.306 29.956 30.300 -0.063 0.000 0.998 609 R HN 0.326 nan 8.270 nan 0.000 0.484 610 D N 0.000 120.393 120.400 -0.012 0.000 6.856 610 D HA 0.000 4.640 4.640 0.000 0.000 0.175 610 D CA 0.000 54.003 54.000 0.005 0.000 0.868 610 D CB 0.000 40.813 40.800 0.022 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683