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 3e2r_1_A DATA FIRST_RESID 88 DATA SEQUENCE QSVSRAAITA AYRRPETEAV SMLLEQARLP QPVAEQAHKL AYQLADKLRN DATA SEQUENCE QKNASGRAGM VQGLLQEFSL SSQEGVALMC LAEALLRIPD KATRDALXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGEPLIRKG 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 RISAPVGTHE 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 0.000 175.989 176.000 -0.018 0.000 1.003 88 Q CA 0.000 55.781 55.803 -0.037 0.000 1.022 88 Q CB 0.000 28.712 28.738 -0.043 0.000 1.108 89 S N -0.701 114.996 115.700 -0.005 0.000 2.596 89 S HA 0.196 4.667 4.470 0.000 0.000 0.260 89 S C 1.194 175.808 174.600 0.023 0.000 1.336 89 S CA -0.327 57.884 58.200 0.020 0.000 0.993 89 S CB 0.637 63.871 63.200 0.056 0.000 0.923 89 S HN 0.451 nan 8.310 nan 0.000 0.567 90 V N 1.937 121.870 119.914 0.032 0.000 2.287 90 V HA -0.198 3.922 4.120 0.000 0.000 0.248 90 V C 3.020 179.140 176.094 0.043 0.000 1.053 90 V CA 2.494 64.813 62.300 0.031 0.000 1.027 90 V CB -1.594 30.247 31.823 0.031 0.000 0.646 90 V HN 1.078 nan 8.190 nan 0.000 0.447 91 S N -0.039 115.706 115.700 0.075 0.000 2.371 91 S HA -0.161 4.309 4.470 0.000 0.000 0.224 91 S C 2.084 176.725 174.600 0.068 0.000 1.029 91 S CA 0.692 58.955 58.200 0.106 0.000 0.978 91 S CB -0.397 62.916 63.200 0.190 0.000 0.833 91 S HN 0.423 nan 8.310 nan 0.000 0.466 92 R N 1.997 122.513 120.500 0.027 0.000 2.096 92 R HA 0.168 4.508 4.340 0.000 0.000 0.235 92 R C 2.688 178.954 176.300 -0.057 0.000 1.127 92 R CA 1.404 57.450 56.100 -0.091 0.000 0.968 92 R CB -1.616 28.605 30.300 -0.132 0.000 0.861 92 R HN 0.607 nan 8.270 nan 0.000 0.440 93 A N 1.101 123.908 122.820 -0.022 0.000 1.933 93 A HA -0.062 4.259 4.320 0.000 0.000 0.218 93 A C 2.353 179.937 177.584 -0.001 0.000 1.175 93 A CA 1.799 53.829 52.037 -0.013 0.000 0.628 93 A CB -0.508 18.490 19.000 -0.003 0.000 0.814 93 A HN 0.339 nan 8.150 nan 0.000 0.444 94 A N -0.286 122.540 122.820 0.011 0.000 1.969 94 A HA 0.007 4.327 4.320 0.000 0.000 0.218 94 A C 2.076 179.671 177.584 0.018 0.000 1.169 94 A CA 1.287 53.337 52.037 0.022 0.000 0.635 94 A CB -0.527 18.493 19.000 0.034 0.000 0.810 94 A HN 0.502 nan 8.150 nan 0.000 0.445 95 I N -0.553 120.016 120.570 -0.002 0.000 2.142 95 I HA -0.230 3.940 4.170 0.000 0.000 0.240 95 I C 2.617 178.713 176.117 -0.036 0.000 1.078 95 I CA 1.817 63.101 61.300 -0.026 0.000 1.343 95 I CB -0.740 37.215 38.000 -0.075 0.000 1.046 95 I HN 0.237 nan 8.210 nan 0.000 0.405 96 T N 0.891 115.422 114.554 -0.038 0.000 2.699 96 T HA -0.212 4.139 4.350 0.000 0.000 0.268 96 T C 1.939 176.679 174.700 0.066 0.000 1.036 96 T CA 1.583 63.683 62.100 0.001 0.000 1.147 96 T CB -0.371 68.498 68.868 0.001 0.000 0.862 96 T HN 0.497 nan 8.240 nan 0.000 0.446 97 A N 0.820 123.666 122.820 0.043 0.000 2.067 97 A HA 0.330 4.650 4.320 0.000 0.000 0.219 97 A C 2.303 179.927 177.584 0.066 0.000 1.158 97 A CA 1.422 53.489 52.037 0.051 0.000 0.661 97 A CB -0.539 18.481 19.000 0.032 0.000 0.801 97 A HN 0.508 nan 8.150 nan 0.000 0.452 98 A N -2.461 120.402 122.820 0.071 0.000 2.308 98 A HA 0.262 4.583 4.320 0.000 0.000 0.217 98 A C 1.522 179.181 177.584 0.125 0.000 1.216 98 A CA 0.192 52.276 52.037 0.078 0.000 0.864 98 A CB -0.646 18.391 19.000 0.063 0.000 0.902 98 A HN 0.610 nan 8.150 nan 0.000 0.499 99 Y N 0.801 121.095 120.300 -0.010 0.000 2.029 99 Y HA -0.314 4.236 4.550 0.001 0.000 0.269 99 Y C 1.473 177.352 175.900 -0.034 0.000 1.201 99 Y CA 1.757 59.845 58.100 -0.020 0.000 1.115 99 Y CB 0.094 38.538 38.460 -0.026 0.000 0.945 99 Y HN 0.270 nan 8.280 nan 0.000 0.497 100 R N 0.347 120.929 120.500 0.138 0.000 2.776 100 R HA 0.157 4.497 4.340 0.000 0.000 0.391 100 R C -0.549 175.756 176.300 0.008 0.000 1.116 100 R CA -0.410 55.695 56.100 0.008 0.000 1.056 100 R CB 0.446 30.666 30.300 -0.133 0.000 1.369 100 R HN 0.228 nan 8.270 nan 0.000 0.590 101 R N 0.774 121.295 120.500 0.036 0.000 2.679 101 R HA 0.173 4.513 4.340 0.000 0.000 0.268 101 R C -2.325 173.998 176.300 0.038 0.000 1.044 101 R CA -1.154 54.967 56.100 0.035 0.000 1.105 101 R CB -0.046 30.283 30.300 0.048 0.000 0.989 101 R HN -0.193 nan 8.270 nan 0.000 0.447 102 P HA -0.081 nan 4.420 nan 0.000 0.265 102 P C -0.250 177.097 177.300 0.078 0.000 1.187 102 P CA 0.250 63.384 63.100 0.056 0.000 0.766 102 P CB 0.622 32.348 31.700 0.043 0.000 0.820 103 E N 1.072 121.338 120.200 0.111 0.000 2.110 103 E HA -0.178 4.172 4.350 0.000 0.000 0.193 103 E C 1.675 178.298 176.600 0.039 0.000 0.988 103 E CA 1.914 58.396 56.400 0.137 0.000 0.804 103 E CB -0.252 29.582 29.700 0.223 0.000 0.745 103 E HN 0.637 nan 8.360 nan 0.000 0.458 104 T N -0.661 113.912 114.554 0.033 0.000 2.720 104 T HA -0.255 4.095 4.350 0.000 0.000 0.268 104 T C 1.860 176.555 174.700 -0.008 0.000 1.037 104 T CA 1.601 63.697 62.100 -0.005 0.000 1.144 104 T CB -0.310 68.570 68.868 0.020 0.000 0.864 104 T HN 0.205 nan 8.240 nan 0.000 0.444 105 E N 1.587 121.800 120.200 0.021 0.000 2.028 105 E HA -0.067 4.283 4.350 0.000 0.000 0.191 105 E C 2.523 179.146 176.600 0.038 0.000 0.988 105 E CA 0.979 57.395 56.400 0.027 0.000 0.799 105 E CB -0.468 29.253 29.700 0.035 0.000 0.755 105 E HN 0.610 nan 8.360 nan 0.000 0.447 106 A N 0.557 123.422 122.820 0.075 0.000 1.877 106 A HA -0.128 4.192 4.320 0.000 0.000 0.216 106 A C 2.407 180.046 177.584 0.092 0.000 1.186 106 A CA 1.509 53.627 52.037 0.135 0.000 0.620 106 A CB -0.671 18.479 19.000 0.250 0.000 0.822 106 A HN 0.237 nan 8.150 nan 0.000 0.443 107 V N -0.177 119.732 119.914 -0.009 0.000 2.358 107 V HA -0.193 3.927 4.120 0.000 0.000 0.246 107 V C 2.751 178.780 176.094 -0.108 0.000 1.047 107 V CA 2.217 64.409 62.300 -0.181 0.000 1.035 107 V CB -0.774 30.731 31.823 -0.529 0.000 0.658 107 V HN 0.544 nan 8.190 nan 0.000 0.452 108 S N 0.858 116.517 115.700 -0.069 0.000 2.382 108 S HA -0.212 4.258 4.470 0.000 0.000 0.228 108 S C 1.935 176.528 174.600 -0.012 0.000 1.027 108 S CA 2.192 60.371 58.200 -0.036 0.000 0.991 108 S CB -0.351 62.837 63.200 -0.019 0.000 0.823 108 S HN 0.769 nan 8.310 nan 0.000 0.469 109 M N -0.094 119.509 119.600 0.005 0.000 2.419 109 M HA 0.187 4.667 4.480 0.000 0.000 0.264 109 M C 1.529 177.841 176.300 0.021 0.000 1.082 109 M CA 1.299 56.610 55.300 0.019 0.000 1.119 109 M CB -0.511 32.109 32.600 0.034 0.000 1.398 109 M HN 0.122 nan 8.290 nan 0.000 0.453 110 L N 0.167 121.398 121.223 0.014 0.000 2.341 110 L HA -0.004 4.336 4.340 0.000 0.000 0.214 110 L C 2.336 179.209 176.870 0.005 0.000 1.115 110 L CA 0.003 54.852 54.840 0.016 0.000 0.820 110 L CB -0.338 41.725 42.059 0.006 0.000 0.944 110 L HN 0.302 nan 8.230 nan 0.000 0.452 111 L N 0.117 121.336 121.223 -0.007 0.000 1.994 111 L HA -0.203 4.137 4.340 0.000 0.000 0.208 111 L C 2.564 179.438 176.870 0.008 0.000 1.071 111 L CA 1.847 56.684 54.840 -0.004 0.000 0.745 111 L CB -0.455 41.598 42.059 -0.010 0.000 0.892 111 L HN 0.174 nan 8.230 nan 0.000 0.431 112 E N -0.574 119.631 120.200 0.008 0.000 2.208 112 E HA -0.185 4.165 4.350 0.000 0.000 0.193 112 E C 2.092 178.700 176.600 0.014 0.000 0.988 112 E CA 0.833 57.240 56.400 0.011 0.000 0.828 112 E CB -0.161 29.545 29.700 0.010 0.000 0.763 112 E HN 0.692 nan 8.360 nan 0.000 0.478 113 Q N -0.022 119.788 119.800 0.016 0.000 2.245 113 Q HA 0.085 4.426 4.340 0.000 0.000 0.201 113 Q C 1.908 177.920 176.000 0.020 0.000 0.955 113 Q CA 1.139 56.953 55.803 0.018 0.000 0.870 113 Q CB 0.037 28.789 28.738 0.023 0.000 0.945 113 Q HN 0.165 nan 8.270 nan 0.000 0.461 114 A N 1.214 124.049 122.820 0.024 0.000 2.081 114 A HA -0.000 4.320 4.320 0.000 0.000 0.214 114 A C 1.120 178.724 177.584 0.034 0.000 1.158 114 A CA -0.245 51.811 52.037 0.033 0.000 0.724 114 A CB -0.067 18.957 19.000 0.039 0.000 0.826 114 A HN 0.110 nan 8.150 nan 0.000 0.463 115 R N 0.495 121.010 120.500 0.026 0.000 2.449 115 R HA 0.242 4.583 4.340 0.000 0.000 0.296 115 R C -1.222 175.094 176.300 0.026 0.000 1.047 115 R CA -0.257 55.859 56.100 0.027 0.000 1.018 115 R CB 0.031 30.342 30.300 0.019 0.000 0.962 115 R HN 0.188 nan 8.270 nan 0.000 0.428 116 L N 7.924 129.168 121.223 0.035 0.000 2.331 116 L HA 0.314 4.654 4.340 0.000 0.000 0.278 116 L C -1.867 175.017 176.870 0.023 0.000 1.106 116 L CA -1.716 53.141 54.840 0.028 0.000 0.824 116 L CB 0.974 43.057 42.059 0.041 0.000 1.142 116 L HN 0.613 nan 8.230 nan 0.000 0.443 117 P HA 0.055 nan 4.420 nan 0.000 0.265 117 P C 0.682 177.991 177.300 0.015 0.000 1.187 117 P CA 0.313 63.420 63.100 0.012 0.000 0.766 117 P CB 0.519 32.224 31.700 0.008 0.000 0.820 118 Q N 4.888 124.695 119.800 0.012 0.000 2.118 118 Q HA -0.229 4.111 4.340 0.000 0.000 0.211 118 Q C -0.567 175.443 176.000 0.015 0.000 0.998 118 Q CA 2.780 58.589 55.803 0.011 0.000 0.872 118 Q CB -3.155 25.586 28.738 0.004 0.000 0.925 118 Q HN 0.548 nan 8.270 nan 0.000 0.414 119 P HA -0.085 nan 4.420 nan 0.000 0.216 119 P C 1.513 178.829 177.300 0.026 0.000 1.153 119 P CA 1.458 64.569 63.100 0.018 0.000 0.848 119 P CB -0.115 31.593 31.700 0.014 0.000 0.787 120 V N 0.158 120.086 119.914 0.023 0.000 2.379 120 V HA -0.191 3.929 4.120 0.000 0.000 0.245 120 V C 2.495 178.613 176.094 0.041 0.000 1.044 120 V CA 2.022 64.338 62.300 0.026 0.000 1.036 120 V CB -1.796 30.034 31.823 0.012 0.000 0.664 120 V HN 0.085 nan 8.190 nan 0.000 0.453 121 A N 0.210 123.058 122.820 0.046 0.000 1.933 121 A HA -0.211 4.109 4.320 0.000 0.000 0.218 121 A C 2.324 179.966 177.584 0.097 0.000 1.175 121 A CA 2.281 54.363 52.037 0.075 0.000 0.628 121 A CB -0.701 18.337 19.000 0.063 0.000 0.814 121 A HN 0.621 nan 8.150 nan 0.000 0.444 122 E N -0.818 119.423 120.200 0.068 0.000 2.072 122 E HA -0.217 4.134 4.350 0.000 0.000 0.191 122 E C 2.002 178.665 176.600 0.106 0.000 0.985 122 E CA 1.486 57.932 56.400 0.078 0.000 0.801 122 E CB -0.628 29.095 29.700 0.039 0.000 0.750 122 E HN 0.640 nan 8.360 nan 0.000 0.452 123 Q N -0.526 119.321 119.800 0.077 0.000 2.119 123 Q HA 0.086 4.426 4.340 0.000 0.000 0.201 123 Q C 2.541 178.583 176.000 0.070 0.000 0.972 123 Q CA 1.526 57.372 55.803 0.073 0.000 0.847 123 Q CB -0.530 28.251 28.738 0.071 0.000 0.903 123 Q HN 0.600 nan 8.270 nan 0.000 0.433 124 A N 0.332 123.192 122.820 0.067 0.000 1.902 124 A HA -0.252 4.068 4.320 0.000 0.000 0.217 124 A C 1.986 179.601 177.584 0.052 0.000 1.181 124 A CA 2.002 54.049 52.037 0.017 0.000 0.623 124 A CB -0.872 18.107 19.000 -0.035 0.000 0.818 124 A HN 0.511 nan 8.150 nan 0.000 0.443 125 H N 0.420 119.526 119.070 0.061 0.000 2.319 125 H HA -0.113 4.443 4.556 0.000 0.000 0.299 125 H C 1.976 177.358 175.328 0.090 0.000 1.092 125 H CA 2.216 58.327 56.048 0.105 0.000 1.302 125 H CB 0.051 29.863 29.762 0.083 0.000 1.373 125 H HN 0.339 nan 8.280 nan 0.000 0.497 126 K N 0.149 120.561 120.400 0.020 0.000 2.032 126 K HA -0.135 4.185 4.320 0.000 0.000 0.209 126 K C 2.296 178.866 176.600 -0.049 0.000 1.048 126 K CA 1.230 57.492 56.287 -0.041 0.000 0.927 126 K CB -0.841 31.671 32.500 0.019 0.000 0.712 126 K HN 0.302 nan 8.250 nan 0.000 0.441 127 L N 1.538 122.730 121.223 -0.052 0.000 2.017 127 L HA -0.068 4.273 4.340 0.000 0.000 0.208 127 L C 2.397 179.194 176.870 -0.122 0.000 1.073 127 L CA 1.989 56.767 54.840 -0.103 0.000 0.745 127 L CB -0.994 40.977 42.059 -0.147 0.000 0.894 127 L HN 0.199 nan 8.230 nan 0.000 0.432 128 A N -1.305 121.446 122.820 -0.115 0.000 1.883 128 A HA -0.323 3.997 4.320 0.000 0.000 0.217 128 A C 2.359 179.899 177.584 -0.073 0.000 1.186 128 A CA 2.031 54.006 52.037 -0.104 0.000 0.624 128 A CB -1.363 17.622 19.000 -0.025 0.000 0.822 128 A HN 0.656 nan 8.150 nan 0.000 0.444 129 Y N 0.287 120.446 120.300 -0.235 0.000 2.128 129 Y HA -0.224 4.326 4.550 0.000 0.000 0.284 129 Y C 3.106 178.927 175.900 -0.132 0.000 1.154 129 Y CA 3.271 61.243 58.100 -0.213 0.000 1.149 129 Y CB -0.652 37.606 38.460 -0.337 0.000 0.976 129 Y HN 0.459 nan 8.280 nan 0.000 0.505 130 Q N 0.607 120.454 119.800 0.078 0.000 2.084 130 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 130 Q C 2.248 178.196 176.000 -0.087 0.000 0.978 130 Q CA 2.058 57.872 55.803 0.018 0.000 0.844 130 Q CB -1.230 27.509 28.738 0.002 0.000 0.898 130 Q HN 0.722 nan 8.270 nan 0.000 0.426 131 L N 0.014 121.164 121.223 -0.122 0.000 2.017 131 L HA -0.138 4.202 4.340 0.000 0.000 0.208 131 L C 3.058 179.856 176.870 -0.121 0.000 1.073 131 L CA 1.238 55.989 54.840 -0.149 0.000 0.745 131 L CB -0.550 41.384 42.059 -0.208 0.000 0.894 131 L HN 0.528 nan 8.230 nan 0.000 0.432 132 A N -0.448 122.305 122.820 -0.112 0.000 1.930 132 A HA -0.263 4.057 4.320 0.000 0.000 0.217 132 A C 1.980 179.453 177.584 -0.184 0.000 1.175 132 A CA 1.983 53.971 52.037 -0.082 0.000 0.627 132 A CB -0.576 18.392 19.000 -0.053 0.000 0.815 132 A HN 0.427 nan 8.150 nan 0.000 0.443 133 D N -0.229 120.003 120.400 -0.281 0.000 2.097 133 D HA -0.134 4.506 4.640 0.000 0.000 0.195 133 D C 1.917 178.132 176.300 -0.142 0.000 0.989 133 D CA 1.545 55.385 54.000 -0.267 0.000 0.827 133 D CB -0.155 40.473 40.800 -0.287 0.000 0.966 133 D HN 0.461 nan 8.370 nan 0.000 0.456 134 K N -0.521 119.813 120.400 -0.109 0.000 2.148 134 K HA -0.107 4.213 4.320 0.000 0.000 0.204 134 K C 1.980 178.537 176.600 -0.072 0.000 1.050 134 K CA 0.471 56.712 56.287 -0.076 0.000 0.942 134 K CB -0.052 32.408 32.500 -0.067 0.000 0.724 134 K HN 0.149 nan 8.250 nan 0.000 0.446 135 L N 1.425 122.601 121.223 -0.079 0.000 2.023 135 L HA -0.075 4.265 4.340 0.000 0.000 0.205 135 L C 2.390 179.218 176.870 -0.069 0.000 1.073 135 L CA 1.565 56.367 54.840 -0.062 0.000 0.745 135 L CB -0.404 41.630 42.059 -0.041 0.000 0.900 135 L HN -0.002 nan 8.230 nan 0.000 0.435 136 R N -0.623 119.821 120.500 -0.093 0.000 2.092 136 R HA -0.092 4.248 4.340 0.000 0.000 0.231 136 R C 0.560 176.810 176.300 -0.084 0.000 1.119 136 R CA 1.546 57.584 56.100 -0.103 0.000 0.970 136 R CB -0.071 30.146 30.300 -0.138 0.000 0.864 136 R HN 0.444 nan 8.270 nan 0.000 0.440 137 N N 0.128 118.780 118.700 -0.080 0.000 2.328 137 N HA 0.006 4.746 4.740 0.000 0.000 0.247 137 N C 1.168 176.649 175.510 -0.048 0.000 1.165 137 N CA 0.539 53.551 53.050 -0.063 0.000 0.873 137 N CB 1.223 39.671 38.487 -0.064 0.000 1.125 137 N HN 0.356 nan 8.380 nan 0.000 0.513 138 Q N 1.375 121.147 119.800 -0.047 0.000 2.112 138 Q HA -0.085 4.256 4.340 0.000 0.000 0.206 138 Q C 1.481 177.464 176.000 -0.030 0.000 0.987 138 Q CA 1.409 57.190 55.803 -0.036 0.000 0.858 138 Q CB -0.614 28.103 28.738 -0.035 0.000 0.905 138 Q HN 0.318 nan 8.270 nan 0.000 0.420 139 K N -0.215 120.166 120.400 -0.032 0.000 2.576 139 K HA 0.200 4.520 4.320 0.000 0.000 0.209 139 K C -0.101 176.483 176.600 -0.027 0.000 1.049 139 K CA 0.058 56.329 56.287 -0.027 0.000 1.140 139 K CB 0.353 32.837 32.500 -0.027 0.000 0.871 139 K HN 0.490 nan 8.250 nan 0.000 0.479 140 N N 0.622 119.304 118.700 -0.029 0.000 2.754 140 N HA -0.238 4.502 4.740 0.000 0.000 0.248 140 N C 0.491 175.983 175.510 -0.030 0.000 1.093 140 N CA 0.657 53.690 53.050 -0.027 0.000 0.699 140 N CB -1.124 37.350 38.487 -0.020 0.000 1.016 140 N HN 0.399 nan 8.380 nan 0.000 0.552 141 A N -0.876 121.921 122.820 -0.038 0.000 1.883 141 A HA -0.127 4.194 4.320 0.000 0.000 0.217 141 A C 2.291 179.852 177.584 -0.039 0.000 1.186 141 A CA 2.143 54.156 52.037 -0.040 0.000 0.624 141 A CB -0.727 18.243 19.000 -0.049 0.000 0.822 141 A HN 0.485 nan 8.150 nan 0.000 0.444 142 S N -0.535 115.140 115.700 -0.043 0.000 2.368 142 S HA -0.007 4.463 4.470 0.000 0.000 0.224 142 S C 2.084 176.668 174.600 -0.027 0.000 1.029 142 S CA 0.976 59.153 58.200 -0.039 0.000 0.988 142 S CB -0.641 62.532 63.200 -0.044 0.000 0.838 142 S HN 0.769 nan 8.310 nan 0.000 0.462 143 G N 1.775 110.561 108.800 -0.024 0.000 2.418 143 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 143 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 143 G C 1.489 176.379 174.900 -0.017 0.000 1.158 143 G CA 0.465 45.555 45.100 -0.017 0.000 0.771 143 G HN 0.394 nan 8.290 nan 0.000 0.545 144 R N 0.474 120.962 120.500 -0.020 0.000 2.096 144 R HA 0.067 4.407 4.340 0.000 0.000 0.235 144 R C 2.980 179.269 176.300 -0.019 0.000 1.127 144 R CA 1.120 57.209 56.100 -0.018 0.000 0.968 144 R CB -0.321 29.967 30.300 -0.020 0.000 0.861 144 R HN 0.349 nan 8.270 nan 0.000 0.440 145 A N 0.501 123.308 122.820 -0.022 0.000 1.969 145 A HA -0.045 4.275 4.320 0.000 0.000 0.218 145 A C 2.311 179.884 177.584 -0.019 0.000 1.169 145 A CA 1.640 53.663 52.037 -0.022 0.000 0.635 145 A CB -0.877 18.106 19.000 -0.028 0.000 0.810 145 A HN 0.464 nan 8.150 nan 0.000 0.445 146 G N -1.015 107.774 108.800 -0.017 0.000 2.394 146 G HA2 0.034 3.995 3.960 0.000 0.000 0.215 146 G HA3 0.034 3.995 3.960 0.000 0.000 0.215 146 G C 1.774 176.667 174.900 -0.011 0.000 1.165 146 G CA 2.256 47.348 45.100 -0.013 0.000 0.784 146 G HN 0.754 nan 8.290 nan 0.000 0.535 147 M N 0.529 120.122 119.600 -0.011 0.000 2.202 147 M HA 0.090 4.570 4.480 0.000 0.000 0.262 147 M C 2.732 179.026 176.300 -0.010 0.000 1.063 147 M CA 2.003 57.297 55.300 -0.010 0.000 1.097 147 M CB -1.383 31.212 32.600 -0.010 0.000 1.382 147 M HN 0.131 nan 8.290 nan 0.000 0.413 148 V N 0.902 120.809 119.914 -0.012 0.000 2.261 148 V HA -0.294 3.826 4.120 0.000 0.000 0.246 148 V C 3.181 179.268 176.094 -0.011 0.000 1.047 148 V CA 2.709 65.002 62.300 -0.012 0.000 1.015 148 V CB -1.501 30.314 31.823 -0.013 0.000 0.642 148 V HN 0.845 nan 8.190 nan 0.000 0.446 149 Q N 0.159 119.952 119.800 -0.011 0.000 2.135 149 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 149 Q C 2.300 178.295 176.000 -0.009 0.000 0.981 149 Q CA 2.311 58.107 55.803 -0.010 0.000 0.856 149 Q CB -1.680 27.051 28.738 -0.011 0.000 0.902 149 Q HN 0.721 nan 8.270 nan 0.000 0.425 150 G N 0.354 109.149 108.800 -0.008 0.000 2.440 150 G HA2 0.019 3.979 3.960 0.000 0.000 0.218 150 G HA3 0.019 3.979 3.960 0.000 0.000 0.218 150 G C 1.778 176.674 174.900 -0.006 0.000 1.154 150 G CA 2.510 47.605 45.100 -0.007 0.000 0.767 150 G HN 1.276 nan 8.290 nan 0.000 0.552 151 L N 0.252 121.471 121.223 -0.007 0.000 2.291 151 L HA 0.591 4.932 4.340 0.000 0.000 0.214 151 L C 3.265 180.131 176.870 -0.007 0.000 1.120 151 L CA 2.000 56.836 54.840 -0.007 0.000 0.799 151 L CB -1.595 40.460 42.059 -0.007 0.000 0.925 151 L HN 0.568 nan 8.230 nan 0.000 0.446 152 L N -1.682 119.537 121.223 -0.007 0.000 2.465 152 L HA 0.291 4.631 4.340 0.000 0.000 0.224 152 L C 2.427 179.293 176.870 -0.006 0.000 1.145 152 L CA 2.508 57.344 54.840 -0.007 0.000 0.834 152 L CB -1.867 40.187 42.059 -0.008 0.000 0.944 152 L HN 0.844 nan 8.230 nan 0.000 0.451 153 Q N -0.902 118.895 119.800 -0.006 0.000 2.442 153 Q HA 0.262 4.603 4.340 0.000 0.000 0.228 153 Q C 1.944 177.941 176.000 -0.005 0.000 0.902 153 Q CA 1.238 57.038 55.803 -0.006 0.000 0.933 153 Q CB -0.529 28.206 28.738 -0.005 0.000 1.071 153 Q HN 1.041 nan 8.270 nan 0.000 0.562 154 E N -0.902 119.295 120.200 -0.005 0.000 2.461 154 E HA 0.403 4.753 4.350 0.000 0.000 0.196 154 E C 0.886 177.483 176.600 -0.004 0.000 1.129 154 E CA 0.961 57.358 56.400 -0.004 0.000 0.902 154 E CB -1.560 28.138 29.700 -0.004 0.000 0.963 154 E HN 1.440 nan 8.360 nan 0.000 0.503 155 F N -3.020 116.927 119.950 -0.005 0.000 3.146 155 F HA 0.632 5.159 4.527 0.000 0.000 0.395 155 F C 1.573 177.370 175.800 -0.004 0.000 1.103 155 F CA 0.639 58.636 58.000 -0.004 0.000 0.950 155 F CB -0.651 38.346 39.000 -0.005 0.000 1.495 155 F HN 1.094 nan 8.300 nan 0.000 0.521 156 S N 0.092 115.789 115.700 -0.005 0.000 3.608 156 S HA 0.396 4.867 4.470 0.000 0.000 0.382 156 S C 0.154 174.751 174.600 -0.005 0.000 0.945 156 S CA 1.025 59.222 58.200 -0.005 0.000 1.256 156 S CB -2.706 60.491 63.200 -0.004 0.000 0.913 156 S HN 2.575 nan 8.310 nan 0.000 0.518 157 L N -0.556 120.664 121.223 -0.005 0.000 2.322 157 L HA 1.073 5.413 4.340 0.000 0.000 0.269 157 L C 0.820 177.687 176.870 -0.006 0.000 1.012 157 L CA -0.046 54.790 54.840 -0.006 0.000 0.815 157 L CB 0.592 42.647 42.059 -0.006 0.000 1.295 157 L HN 1.819 nan 8.230 nan 0.000 0.438 158 S N -0.282 115.414 115.700 -0.006 0.000 2.686 158 S HA 0.668 5.138 4.470 0.000 0.000 0.270 158 S C 1.708 176.304 174.600 -0.007 0.000 1.194 158 S CA 0.368 58.565 58.200 -0.006 0.000 0.990 158 S CB -0.120 63.077 63.200 -0.006 0.000 1.029 158 S HN 2.175 nan 8.310 nan 0.000 0.560 159 S N -0.379 115.316 115.700 -0.008 0.000 2.348 159 S HA 0.082 4.552 4.470 0.000 0.000 0.221 159 S C 2.296 176.891 174.600 -0.008 0.000 1.033 159 S CA 2.426 60.621 58.200 -0.009 0.000 1.010 159 S CB -1.383 61.811 63.200 -0.010 0.000 0.891 159 S HN 1.234 nan 8.310 nan 0.000 0.442 160 Q N -0.353 119.442 119.800 -0.007 0.000 2.226 160 Q HA 0.046 4.386 4.340 0.000 0.000 0.204 160 Q C 2.103 178.100 176.000 -0.006 0.000 0.975 160 Q CA 2.425 58.224 55.803 -0.007 0.000 0.866 160 Q CB -1.813 26.922 28.738 -0.006 0.000 0.915 160 Q HN 0.985 nan 8.270 nan 0.000 0.440 161 E N 0.265 120.461 120.200 -0.006 0.000 2.015 161 E HA 0.072 4.422 4.350 0.000 0.000 0.191 161 E C 2.574 179.170 176.600 -0.006 0.000 0.991 161 E CA 1.419 57.816 56.400 -0.006 0.000 0.802 161 E CB -1.462 28.234 29.700 -0.006 0.000 0.759 161 E HN 0.776 nan 8.360 nan 0.000 0.447 162 G N 0.478 109.274 108.800 -0.007 0.000 2.476 162 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 162 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 162 G C 1.981 176.876 174.900 -0.008 0.000 1.164 162 G CA 1.823 46.919 45.100 -0.007 0.000 0.768 162 G HN 0.458 nan 8.290 nan 0.000 0.560 163 V N 1.672 121.581 119.914 -0.008 0.000 2.287 163 V HA -0.198 3.922 4.120 0.000 0.000 0.248 163 V C 3.367 179.457 176.094 -0.007 0.000 1.053 163 V CA 2.224 64.519 62.300 -0.008 0.000 1.027 163 V CB -1.047 30.771 31.823 -0.008 0.000 0.646 163 V HN 0.513 nan 8.190 nan 0.000 0.447 164 A N -0.308 122.508 122.820 -0.007 0.000 1.908 164 A HA -0.230 4.091 4.320 0.000 0.000 0.218 164 A C 2.177 179.758 177.584 -0.006 0.000 1.181 164 A CA 2.235 54.268 52.037 -0.006 0.000 0.627 164 A CB -0.613 18.384 19.000 -0.005 0.000 0.818 164 A HN 0.469 nan 8.150 nan 0.000 0.445 165 L N -0.928 120.291 121.223 -0.006 0.000 2.046 165 L HA -0.147 4.193 4.340 0.000 0.000 0.208 165 L C 2.344 179.211 176.870 -0.006 0.000 1.077 165 L CA 1.974 56.811 54.840 -0.006 0.000 0.747 165 L CB -0.474 41.582 42.059 -0.006 0.000 0.896 165 L HN 0.304 nan 8.230 nan 0.000 0.432 166 M N -1.433 118.163 119.600 -0.007 0.000 2.159 166 M HA -0.230 4.251 4.480 0.000 0.000 0.263 166 M C 2.458 178.755 176.300 -0.007 0.000 1.063 166 M CA 1.483 56.778 55.300 -0.007 0.000 1.110 166 M CB -1.811 30.785 32.600 -0.008 0.000 1.374 166 M HN 0.396 nan 8.290 nan 0.000 0.411 167 C N 0.100 119.397 119.300 -0.006 0.000 2.425 167 C HA -0.110 4.350 4.460 0.000 0.000 0.277 167 C C 2.839 177.826 174.990 -0.005 0.000 1.280 167 C CA 0.388 59.402 59.018 -0.006 0.000 1.744 167 C CB -1.168 26.568 27.740 -0.006 0.000 1.989 167 C HN 0.526 nan 8.230 nan 0.000 0.491 168 L N 1.766 122.986 121.223 -0.005 0.000 1.994 168 L HA -0.106 4.234 4.340 0.000 0.000 0.208 168 L C 2.716 179.583 176.870 -0.005 0.000 1.071 168 L CA 2.520 57.357 54.840 -0.005 0.000 0.745 168 L CB -1.324 40.732 42.059 -0.004 0.000 0.892 168 L HN 0.320 nan 8.230 nan 0.000 0.431 169 A N -0.143 122.674 122.820 -0.005 0.000 1.940 169 A HA -0.296 4.024 4.320 0.000 0.000 0.219 169 A C 2.224 179.805 177.584 -0.005 0.000 1.176 169 A CA 1.959 53.993 52.037 -0.005 0.000 0.631 169 A CB -0.659 18.338 19.000 -0.005 0.000 0.814 169 A HN 0.682 nan 8.150 nan 0.000 0.446 170 E N -0.153 120.044 120.200 -0.005 0.000 2.072 170 E HA -0.092 4.258 4.350 0.000 0.000 0.191 170 E C 2.070 178.667 176.600 -0.005 0.000 0.985 170 E CA 1.010 57.407 56.400 -0.006 0.000 0.801 170 E CB -0.270 29.426 29.700 -0.006 0.000 0.750 170 E HN 0.523 nan 8.360 nan 0.000 0.452 171 A N 1.056 123.873 122.820 -0.005 0.000 1.930 171 A HA -0.080 4.240 4.320 0.000 0.000 0.217 171 A C 2.192 179.774 177.584 -0.004 0.000 1.175 171 A CA 0.841 52.875 52.037 -0.004 0.000 0.627 171 A CB -0.489 18.509 19.000 -0.004 0.000 0.815 171 A HN 0.315 nan 8.150 nan 0.000 0.443 172 L N -0.774 120.447 121.223 -0.004 0.000 2.093 172 L HA -0.082 4.258 4.340 0.000 0.000 0.208 172 L C 2.205 179.073 176.870 -0.004 0.000 1.085 172 L CA 0.731 55.569 54.840 -0.004 0.000 0.755 172 L CB -0.394 41.663 42.059 -0.004 0.000 0.904 172 L HN 0.343 nan 8.230 nan 0.000 0.435 173 L N -0.564 120.656 121.223 -0.004 0.000 2.465 173 L HA -0.099 4.241 4.340 0.000 0.000 0.224 173 L C 2.221 179.089 176.870 -0.004 0.000 1.145 173 L CA 0.654 55.492 54.840 -0.004 0.000 0.834 173 L CB -0.279 41.777 42.059 -0.004 0.000 0.944 173 L HN 0.205 nan 8.230 nan 0.000 0.451 174 R N -0.346 120.152 120.500 -0.004 0.000 2.317 174 R HA 0.205 4.545 4.340 0.000 0.000 0.208 174 R C 0.360 176.658 176.300 -0.003 0.000 0.914 174 R CA -0.073 56.025 56.100 -0.004 0.000 1.060 174 R CB 0.204 30.501 30.300 -0.004 0.000 1.015 174 R HN 0.247 nan 8.270 nan 0.000 0.498 175 I N 2.772 123.340 120.570 -0.003 0.000 2.436 175 I HA 0.038 4.209 4.170 0.000 0.000 0.289 175 I C -1.460 174.656 176.117 -0.003 0.000 1.083 175 I CA -1.688 59.611 61.300 -0.003 0.000 1.372 175 I CB 1.168 39.167 38.000 -0.003 0.000 1.408 175 I HN -0.186 nan 8.210 nan 0.000 0.516 176 P HA -0.074 nan 4.420 nan 0.000 0.218 176 P C -0.317 176.982 177.300 -0.002 0.000 1.149 176 P CA 1.266 64.364 63.100 -0.002 0.000 0.817 176 P CB 0.185 31.883 31.700 -0.002 0.000 0.785 177 D N -0.842 119.557 120.400 -0.002 0.000 2.303 177 D HA 0.071 4.711 4.640 0.000 0.000 0.236 177 D C 0.831 177.129 176.300 -0.002 0.000 1.068 177 D CA -0.403 53.596 54.000 -0.002 0.000 0.830 177 D CB 1.789 42.588 40.800 -0.002 0.000 1.109 177 D HN -0.061 nan 8.370 nan 0.000 0.496 178 K N 2.063 122.462 120.400 -0.002 0.000 2.063 178 K HA -0.185 4.135 4.320 0.000 0.000 0.208 178 K C 1.670 178.269 176.600 -0.002 0.000 1.048 178 K CA 1.314 57.600 56.287 -0.002 0.000 0.928 178 K CB 0.118 32.617 32.500 -0.002 0.000 0.713 178 K HN 0.418 nan 8.250 nan 0.000 0.442 179 A N 0.458 123.277 122.820 -0.002 0.000 1.902 179 A HA -0.145 4.175 4.320 0.000 0.000 0.217 179 A C 2.167 179.750 177.584 -0.002 0.000 1.181 179 A CA 2.186 54.222 52.037 -0.002 0.000 0.623 179 A CB -1.017 17.983 19.000 -0.002 0.000 0.818 179 A HN 0.438 nan 8.150 nan 0.000 0.443 180 T N -0.747 113.806 114.554 -0.002 0.000 2.708 180 T HA -0.164 4.186 4.350 0.000 0.000 0.266 180 T C 2.072 176.771 174.700 -0.002 0.000 1.037 180 T CA 1.515 63.614 62.100 -0.002 0.000 1.146 180 T CB -0.250 68.616 68.868 -0.002 0.000 0.865 180 T HN 0.561 nan 8.240 nan 0.000 0.435 181 R N 0.917 121.416 120.500 -0.002 0.000 2.080 181 R HA -0.155 4.185 4.340 0.000 0.000 0.236 181 R C 1.999 178.298 176.300 -0.002 0.000 1.137 181 R CA 1.986 58.085 56.100 -0.002 0.000 0.943 181 R CB -0.334 29.965 30.300 -0.002 0.000 0.846 181 R HN 0.291 nan 8.270 nan 0.000 0.431 182 D N 0.222 120.621 120.400 -0.002 0.000 2.104 182 D HA -0.173 4.468 4.640 0.000 0.000 0.194 182 D C 1.718 178.017 176.300 -0.002 0.000 0.994 182 D CA 1.718 55.717 54.000 -0.002 0.000 0.830 182 D CB -0.353 40.446 40.800 -0.002 0.000 0.959 182 D HN 0.424 nan 8.370 nan 0.000 0.452 183 A N 0.317 123.135 122.820 -0.002 0.000 1.969 183 A HA -0.061 4.259 4.320 0.000 0.000 0.218 183 A C 1.332 178.915 177.584 -0.002 0.000 1.169 183 A CA 0.313 52.349 52.037 -0.002 0.000 0.635 183 A CB -0.416 18.583 19.000 -0.002 0.000 0.810 183 A HN 0.198 nan 8.150 nan 0.000 0.445 241 E N 0.653 120.859 120.200 0.010 0.000 2.153 241 E HA 0.010 4.360 4.350 0.000 0.000 0.194 241 E C -0.463 176.144 176.600 0.012 0.000 0.988 241 E CA 1.822 58.229 56.400 0.011 0.000 0.811 241 E CB -0.792 28.916 29.700 0.013 0.000 0.746 241 E HN 0.267 nan 8.360 nan 0.000 0.466 242 P HA -0.161 nan 4.420 nan 0.000 0.218 242 P C 1.744 179.050 177.300 0.009 0.000 1.146 242 P CA 2.226 65.332 63.100 0.010 0.000 0.813 242 P CB -0.229 31.476 31.700 0.009 0.000 0.778 243 L N -0.619 120.609 121.223 0.008 0.000 2.027 243 L HA -0.053 4.287 4.340 0.000 0.000 0.206 243 L C 2.731 179.607 176.870 0.009 0.000 1.074 243 L CA 2.695 57.540 54.840 0.007 0.000 0.745 243 L CB -2.402 39.661 42.059 0.006 0.000 0.898 243 L HN 0.071 nan 8.230 nan 0.000 0.433 244 I N -0.467 120.109 120.570 0.011 0.000 2.226 244 I HA -0.167 4.003 4.170 0.000 0.000 0.245 244 I C 2.733 178.860 176.117 0.017 0.000 1.100 244 I CA 2.458 63.766 61.300 0.014 0.000 1.374 244 I CB -1.179 36.830 38.000 0.015 0.000 1.057 244 I HN 0.658 nan 8.210 nan 0.000 0.413 245 R N 0.870 121.380 120.500 0.017 0.000 2.081 245 R HA -0.194 4.147 4.340 0.000 0.000 0.235 245 R C 2.633 178.944 176.300 0.019 0.000 1.131 245 R CA 2.259 58.371 56.100 0.021 0.000 0.960 245 R CB -0.377 29.936 30.300 0.021 0.000 0.856 245 R HN 0.593 nan 8.270 nan 0.000 0.436 246 K N 0.072 120.480 120.400 0.013 0.000 2.097 246 K HA -0.006 4.314 4.320 0.000 0.000 0.205 246 K C 2.139 178.743 176.600 0.007 0.000 1.050 246 K CA 1.468 57.758 56.287 0.007 0.000 0.938 246 K CB -1.500 31.001 32.500 0.002 0.000 0.718 246 K HN 0.561 nan 8.250 nan 0.000 0.442 247 G N 0.479 109.285 108.800 0.010 0.000 2.421 247 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 247 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 247 G C 1.822 176.732 174.900 0.017 0.000 1.171 247 G CA 1.095 46.202 45.100 0.011 0.000 0.775 247 G HN 0.321 nan 8.290 nan 0.000 0.543 248 V N 1.215 121.142 119.914 0.022 0.000 2.295 248 V HA -0.194 3.926 4.120 0.000 0.000 0.246 248 V C 2.474 178.590 176.094 0.036 0.000 1.049 248 V CA 2.430 64.749 62.300 0.031 0.000 1.024 248 V CB -0.445 31.398 31.823 0.034 0.000 0.648 248 V HN 0.469 nan 8.190 nan 0.000 0.447 249 D N -0.705 119.714 120.400 0.032 0.000 2.117 249 D HA -0.237 4.403 4.640 0.000 0.000 0.197 249 D C 2.174 178.486 176.300 0.021 0.000 0.987 249 D CA 1.783 55.803 54.000 0.034 0.000 0.829 249 D CB -0.126 40.688 40.800 0.023 0.000 0.961 249 D HN 0.392 nan 8.370 nan 0.000 0.460 250 M N -0.232 119.372 119.600 0.007 0.000 2.132 250 M HA -0.081 4.399 4.480 0.000 0.000 0.263 250 M C 2.046 178.356 176.300 0.017 0.000 1.065 250 M CA 1.759 57.059 55.300 -0.000 0.000 1.122 250 M CB -0.037 32.559 32.600 -0.006 0.000 1.365 250 M HN 0.079 nan 8.290 nan 0.000 0.411 251 A N 0.664 123.499 122.820 0.025 0.000 1.933 251 A HA -0.221 4.099 4.320 0.000 0.000 0.218 251 A C 2.284 179.901 177.584 0.054 0.000 1.175 251 A CA 1.928 53.986 52.037 0.035 0.000 0.628 251 A CB -0.920 18.100 19.000 0.034 0.000 0.814 251 A HN 0.757 nan 8.150 nan 0.000 0.444 252 M N -0.602 119.036 119.600 0.062 0.000 2.086 252 M HA -0.205 4.276 4.480 0.000 0.000 0.261 252 M C 2.278 178.640 176.300 0.102 0.000 1.067 252 M CA 1.921 57.274 55.300 0.089 0.000 1.116 252 M CB -0.234 32.422 32.600 0.093 0.000 1.348 252 M HN 0.413 nan 8.290 nan 0.000 0.407 253 R N 0.015 120.561 120.500 0.078 0.000 2.073 253 R HA -0.131 4.209 4.340 0.000 0.000 0.234 253 R C 2.127 178.465 176.300 0.063 0.000 1.134 253 R CA 1.238 57.383 56.100 0.075 0.000 0.952 253 R CB -0.558 29.762 30.300 0.033 0.000 0.850 253 R HN 0.295 nan 8.270 nan 0.000 0.433 254 L N 0.449 121.697 121.223 0.043 0.000 1.994 254 L HA -0.111 4.229 4.340 0.000 0.000 0.208 254 L C 2.305 179.193 176.870 0.030 0.000 1.071 254 L CA 1.814 56.670 54.840 0.027 0.000 0.745 254 L CB -0.552 41.518 42.059 0.017 0.000 0.892 254 L HN 0.203 nan 8.230 nan 0.000 0.431 255 M N -1.598 118.037 119.600 0.058 0.000 2.394 255 M HA -0.054 4.426 4.480 0.000 0.000 0.264 255 M C 1.950 178.329 176.300 0.131 0.000 1.073 255 M CA 1.318 56.665 55.300 0.078 0.000 1.111 255 M CB -0.603 32.068 32.600 0.118 0.000 1.401 255 M HN 0.365 nan 8.290 nan 0.000 0.448 256 G N -0.191 108.713 108.800 0.174 0.000 2.551 256 G HA2 -0.071 3.890 3.960 0.000 0.000 0.216 256 G HA3 -0.071 3.890 3.960 0.000 0.000 0.216 256 G C 1.456 176.470 174.900 0.190 0.000 1.137 256 G CA 0.912 46.188 45.100 0.294 0.000 0.798 256 G HN 0.518 nan 8.290 nan 0.000 0.536 257 E N 1.725 121.969 120.200 0.073 0.000 2.097 257 E HA -0.301 4.049 4.350 0.000 0.000 0.196 257 E C 2.311 178.909 176.600 -0.004 0.000 1.000 257 E CA 1.850 58.276 56.400 0.044 0.000 0.804 257 E CB -0.982 28.727 29.700 0.015 0.000 0.740 257 E HN 0.801 nan 8.360 nan 0.000 0.454 258 Q N -1.438 118.249 119.800 -0.189 0.000 2.291 258 Q HA -0.022 4.318 4.340 0.000 0.000 0.206 258 Q C 1.790 177.571 176.000 -0.366 0.000 0.976 258 Q CA 1.556 57.143 55.803 -0.361 0.000 0.875 258 Q CB -0.403 27.967 28.738 -0.614 0.000 0.927 258 Q HN 0.636 nan 8.270 nan 0.000 0.450 259 F N 0.665 120.691 119.950 0.127 0.000 2.749 259 F HA 0.239 4.766 4.527 0.000 0.000 0.300 259 F C 0.388 176.408 175.800 0.366 0.000 1.103 259 F CA -0.621 57.512 58.000 0.223 0.000 1.342 259 F CB 1.019 40.186 39.000 0.278 0.000 1.098 259 F HN -0.171 nan 8.300 nan 0.000 0.586 260 V N 0.392 120.549 119.914 0.405 0.000 2.427 260 V HA 0.122 4.243 4.120 0.000 0.000 0.286 260 V C 0.803 176.962 176.094 0.108 0.000 1.034 260 V CA -0.065 62.369 62.300 0.223 0.000 0.893 260 V CB 1.447 33.348 31.823 0.130 0.000 0.982 260 V HN 0.139 nan 8.190 nan 0.000 0.452 261 T N 2.924 117.430 114.554 -0.079 0.000 2.894 261 T HA 0.233 4.584 4.350 0.000 0.000 0.258 261 T C 0.688 175.322 174.700 -0.109 0.000 1.043 261 T CA 1.147 63.076 62.100 -0.285 0.000 1.141 261 T CB 0.185 68.898 68.868 -0.257 0.000 0.873 261 T HN 0.896 nan 8.240 nan 0.000 0.449 262 G N -0.361 108.411 108.800 -0.047 0.000 2.698 262 G HA2 0.458 4.418 3.960 0.000 0.000 0.293 262 G HA3 0.458 4.418 3.960 0.000 0.000 0.293 262 G C -0.231 174.655 174.900 -0.024 0.000 1.437 262 G CA -0.518 44.561 45.100 -0.035 0.000 0.852 262 G HN 0.035 nan 8.290 nan 0.000 0.499 263 E N -0.806 119.382 120.200 -0.019 0.000 2.216 263 E HA 0.017 4.368 4.350 0.000 0.000 0.192 263 E C 1.164 177.743 176.600 -0.035 0.000 0.988 263 E CA 1.313 57.703 56.400 -0.016 0.000 0.834 263 E CB 0.262 29.962 29.700 -0.000 0.000 0.772 263 E HN 0.586 nan 8.360 nan 0.000 0.479 264 T N -2.311 112.215 114.554 -0.047 0.000 2.916 264 T HA 0.279 4.629 4.350 0.000 0.000 0.292 264 T C 0.752 175.396 174.700 -0.093 0.000 1.055 264 T CA -0.827 61.235 62.100 -0.064 0.000 1.009 264 T CB 1.773 70.606 68.868 -0.058 0.000 1.118 264 T HN -0.132 nan 8.240 nan 0.000 0.497 265 I N 1.757 122.257 120.570 -0.117 0.000 2.286 265 I HA 0.043 4.213 4.170 0.000 0.000 0.248 265 I C 2.521 178.506 176.117 -0.220 0.000 1.115 265 I CA 1.964 63.147 61.300 -0.195 0.000 1.392 265 I CB -0.915 36.967 38.000 -0.197 0.000 1.065 265 I HN 0.894 nan 8.210 nan 0.000 0.418 266 A N 0.207 122.938 122.820 -0.150 0.000 1.877 266 A HA -0.207 4.113 4.320 0.000 0.000 0.216 266 A C 2.376 179.887 177.584 -0.122 0.000 1.186 266 A CA 2.387 54.345 52.037 -0.131 0.000 0.620 266 A CB -1.394 17.551 19.000 -0.090 0.000 0.822 266 A HN 0.498 nan 8.150 nan 0.000 0.443 267 E N -0.326 119.814 120.200 -0.100 0.000 2.051 267 E HA 0.014 4.364 4.350 0.000 0.000 0.192 267 E C 2.361 178.901 176.600 -0.099 0.000 0.991 267 E CA 2.103 58.454 56.400 -0.082 0.000 0.799 267 E CB -1.271 28.394 29.700 -0.058 0.000 0.748 267 E HN 1.041 nan 8.360 nan 0.000 0.449 268 A N 0.463 123.214 122.820 -0.116 0.000 1.883 268 A HA -0.047 4.273 4.320 0.000 0.000 0.217 268 A C 2.551 180.049 177.584 -0.145 0.000 1.186 268 A CA 1.687 53.664 52.037 -0.099 0.000 0.624 268 A CB -0.548 18.422 19.000 -0.051 0.000 0.822 268 A HN 0.474 nan 8.150 nan 0.000 0.444 269 L N -0.862 120.199 121.223 -0.269 0.000 2.131 269 L HA -0.200 4.140 4.340 0.000 0.000 0.210 269 L C 3.053 179.833 176.870 -0.151 0.000 1.092 269 L CA 0.918 55.601 54.840 -0.261 0.000 0.759 269 L CB -0.472 41.405 42.059 -0.303 0.000 0.903 269 L HN 0.458 nan 8.230 nan 0.000 0.435 270 A N 0.155 122.900 122.820 -0.124 0.000 1.972 270 A HA -0.205 4.115 4.320 0.000 0.000 0.219 270 A C 1.625 179.162 177.584 -0.079 0.000 1.169 270 A CA 1.708 53.695 52.037 -0.084 0.000 0.635 270 A CB -0.737 18.223 19.000 -0.067 0.000 0.810 270 A HN 0.590 nan 8.150 nan 0.000 0.446 271 N N -0.449 118.190 118.700 -0.102 0.000 2.375 271 N HA 0.356 5.096 4.740 0.000 0.000 0.220 271 N C 0.939 176.355 175.510 -0.157 0.000 1.170 271 N CA 0.239 53.232 53.050 -0.096 0.000 0.833 271 N CB 0.246 38.681 38.487 -0.087 0.000 1.069 271 N HN 0.512 nan 8.380 nan 0.000 0.479 272 A N 0.772 123.481 122.820 -0.185 0.000 1.984 272 A HA 0.112 4.432 4.320 0.000 0.000 0.203 272 A C 2.468 180.041 177.584 -0.019 0.000 1.292 272 A CA 0.464 52.323 52.037 -0.297 0.000 0.782 272 A CB -0.389 18.414 19.000 -0.328 0.000 0.924 272 A HN 0.341 nan 8.150 nan 0.000 0.475 273 R N -0.195 120.310 120.500 0.008 0.000 2.103 273 R HA -0.163 4.177 4.340 0.000 0.000 0.242 273 R C 2.482 178.839 176.300 0.094 0.000 1.142 273 R CA 3.143 59.280 56.100 0.061 0.000 0.960 273 R CB -1.949 28.374 30.300 0.038 0.000 0.858 273 R HN 0.785 nan 8.270 nan 0.000 0.439 274 K N 0.808 121.252 120.400 0.073 0.000 2.032 274 K HA -0.065 4.255 4.320 0.000 0.000 0.218 274 K C 2.372 179.048 176.600 0.127 0.000 1.054 274 K CA 1.989 58.325 56.287 0.082 0.000 0.941 274 K CB -0.901 31.633 32.500 0.058 0.000 0.720 274 K HN 0.541 nan 8.250 nan 0.000 0.449 275 L N -0.220 121.107 121.223 0.173 0.000 2.354 275 L HA 0.027 4.367 4.340 0.000 0.000 0.212 275 L C 2.677 179.770 176.870 0.373 0.000 1.091 275 L CA 0.457 55.433 54.840 0.226 0.000 0.828 275 L CB -0.060 42.006 42.059 0.012 0.000 0.973 275 L HN 0.468 nan 8.230 nan 0.000 0.461 276 E N 0.649 121.057 120.200 0.346 0.000 2.153 276 E HA -0.236 4.114 4.350 0.000 0.000 0.194 276 E C 1.654 178.382 176.600 0.213 0.000 0.988 276 E CA 1.097 57.679 56.400 0.304 0.000 0.811 276 E CB 0.043 29.897 29.700 0.256 0.000 0.746 276 E HN 0.532 nan 8.360 nan 0.000 0.466 277 E N 0.364 120.671 120.200 0.178 0.000 2.347 277 E HA -0.100 4.250 4.350 0.000 0.000 0.196 277 E C 1.439 178.123 176.600 0.140 0.000 1.008 277 E CA 0.517 56.997 56.400 0.133 0.000 0.852 277 E CB 0.150 29.913 29.700 0.104 0.000 0.783 277 E HN 0.081 nan 8.360 nan 0.000 0.505 278 K N -0.891 119.630 120.400 0.201 0.000 2.393 278 K HA 0.083 4.404 4.320 0.000 0.000 0.193 278 K C 0.980 177.654 176.600 0.123 0.000 1.026 278 K CA 0.499 56.907 56.287 0.201 0.000 1.064 278 K CB 0.924 33.624 32.500 0.333 0.000 0.833 278 K HN 0.191 nan 8.250 nan 0.000 0.521 279 G N 0.475 109.347 108.800 0.120 0.000 2.184 279 G HA2 -0.216 3.744 3.960 0.000 0.000 0.206 279 G HA3 -0.216 3.744 3.960 0.000 0.000 0.206 279 G C -0.117 174.750 174.900 -0.054 0.000 0.995 279 G CA -0.697 44.408 45.100 0.010 0.000 0.651 279 G HN 0.114 nan 8.290 nan 0.000 0.511 280 F N 1.264 121.245 119.950 0.053 0.000 2.418 280 F HA 0.712 5.239 4.527 0.000 0.000 0.341 280 F C 1.342 177.147 175.800 0.008 0.000 1.120 280 F CA 0.004 57.999 58.000 -0.008 0.000 1.232 280 F CB 0.749 39.717 39.000 -0.053 0.000 1.175 280 F HN 0.017 nan 8.300 nan 0.000 0.569 281 R N 0.923 121.492 120.500 0.115 0.000 2.902 281 R HA 0.601 4.941 4.340 0.000 0.000 0.258 281 R C -1.768 174.478 176.300 -0.090 0.000 1.071 281 R CA -0.968 55.192 56.100 0.100 0.000 1.024 281 R CB 1.456 31.806 30.300 0.084 0.000 1.184 281 R HN 0.499 nan 8.270 nan 0.000 0.492 282 Y N -0.976 119.312 120.300 -0.020 0.000 2.536 282 Y HA 0.460 5.010 4.550 0.000 0.000 0.347 282 Y C -0.279 175.467 175.900 -0.257 0.000 1.000 282 Y CA -0.552 57.419 58.100 -0.215 0.000 1.051 282 Y CB 2.728 40.928 38.460 -0.434 0.000 1.259 282 Y HN 0.423 nan 8.280 nan 0.000 0.468 283 S N 2.166 117.754 115.700 -0.186 0.000 2.707 283 S HA 0.515 4.985 4.470 0.000 0.000 0.303 283 S C -1.830 172.646 174.600 -0.206 0.000 1.132 283 S CA -0.511 57.617 58.200 -0.120 0.000 1.046 283 S CB 0.088 63.273 63.200 -0.025 0.000 1.004 283 S HN 0.483 nan 8.310 nan 0.000 0.483 284 Y N 2.962 123.327 120.300 0.108 0.000 2.365 284 Y HA 0.370 4.921 4.550 0.000 0.000 0.340 284 Y C 0.644 176.586 175.900 0.070 0.000 1.016 284 Y CA -0.476 57.669 58.100 0.075 0.000 1.196 284 Y CB 0.789 39.272 38.460 0.038 0.000 1.167 284 Y HN 0.542 nan 8.280 nan 0.000 0.509 285 D N 4.952 125.443 120.400 0.152 0.000 2.441 285 D HA 0.189 4.829 4.640 0.000 0.000 0.231 285 D C -0.648 175.683 176.300 0.051 0.000 1.073 285 D CA -0.535 53.529 54.000 0.107 0.000 0.850 285 D CB 0.757 41.594 40.800 0.062 0.000 1.062 285 D HN 0.364 nan 8.370 nan 0.000 0.524 286 M N 3.280 122.928 119.600 0.080 0.000 2.269 286 M HA 0.142 4.622 4.480 0.000 0.000 0.350 286 M C 0.331 176.554 176.300 -0.129 0.000 1.429 286 M CA -0.055 55.204 55.300 -0.068 0.000 1.063 286 M CB -0.101 32.342 32.600 -0.261 0.000 1.841 286 M HN 0.263 nan 8.290 nan 0.000 0.455 287 L N 2.464 123.596 121.223 -0.152 0.000 2.397 287 L HA 0.625 4.966 4.340 0.000 0.000 0.271 287 L C 0.805 177.562 176.870 -0.188 0.000 1.148 287 L CA 0.040 54.786 54.840 -0.157 0.000 0.825 287 L CB 0.898 42.877 42.059 -0.133 0.000 1.117 287 L HN 0.949 nan 8.230 nan 0.000 0.456 288 G N 2.541 111.221 108.800 -0.200 0.000 3.162 288 G HA2 0.167 4.127 3.960 0.000 0.000 0.599 288 G HA3 0.167 4.127 3.960 0.000 0.000 0.599 288 G C -1.192 173.363 174.900 -0.574 0.000 1.335 288 G CA -0.577 44.282 45.100 -0.401 0.000 1.091 288 G HN 0.752 nan 8.290 nan 0.000 0.570 289 E N 1.113 121.156 120.200 -0.261 0.000 2.454 289 E HA 0.731 5.081 4.350 0.000 0.000 0.279 289 E C 0.495 177.140 176.600 0.075 0.000 1.029 289 E CA -0.800 55.543 56.400 -0.095 0.000 0.831 289 E CB 1.328 31.049 29.700 0.036 0.000 1.405 289 E HN 2.352 nan 8.360 nan 0.000 0.463 290 A N -0.212 122.681 122.820 0.121 0.000 2.466 290 A HA -0.024 4.296 4.320 0.000 0.000 0.295 290 A C 0.605 178.314 177.584 0.209 0.000 1.465 290 A CA 0.727 52.871 52.037 0.178 0.000 0.744 290 A CB -2.284 16.814 19.000 0.164 0.000 1.098 290 A HN 1.359 nan 8.150 nan 0.000 0.402 291 A N -0.141 122.835 122.820 0.260 0.000 2.567 291 A HA 0.427 4.747 4.320 0.000 0.000 0.240 291 A C 1.259 178.935 177.584 0.152 0.000 1.053 291 A CA 0.767 52.962 52.037 0.263 0.000 0.755 291 A CB 0.029 19.191 19.000 0.271 0.000 0.978 291 A HN 1.197 nan 8.150 nan 0.000 0.507 292 L N 1.717 123.001 121.223 0.102 0.000 2.408 292 L HA 0.105 4.446 4.340 0.000 0.000 0.215 292 L C 1.351 178.241 176.870 0.033 0.000 1.081 292 L CA 1.166 56.048 54.840 0.070 0.000 0.840 292 L CB -0.191 41.904 42.059 0.061 0.000 1.002 292 L HN 0.941 nan 8.230 nan 0.000 0.468 293 T N -5.326 109.233 114.554 0.008 0.000 2.907 293 T HA 0.591 4.941 4.350 0.000 0.000 0.290 293 T C 0.838 175.516 174.700 -0.037 0.000 1.066 293 T CA -0.122 61.968 62.100 -0.017 0.000 1.012 293 T CB 2.308 71.162 68.868 -0.024 0.000 1.184 293 T HN -0.058 nan 8.240 nan 0.000 0.522 294 A N 0.739 123.531 122.820 -0.046 0.000 1.902 294 A HA 0.234 4.554 4.320 0.000 0.000 0.217 294 A C 2.564 180.116 177.584 -0.053 0.000 1.181 294 A CA 2.018 54.023 52.037 -0.054 0.000 0.623 294 A CB -1.552 17.421 19.000 -0.045 0.000 0.818 294 A HN 1.327 nan 8.150 nan 0.000 0.443 295 A N 0.185 122.970 122.820 -0.058 0.000 1.883 295 A HA -0.212 4.108 4.320 0.000 0.000 0.217 295 A C 1.779 179.287 177.584 -0.127 0.000 1.186 295 A CA 1.995 53.987 52.037 -0.075 0.000 0.624 295 A CB -0.690 18.269 19.000 -0.068 0.000 0.822 295 A HN 0.462 nan 8.150 nan 0.000 0.444 296 D N 0.118 120.429 120.400 -0.148 0.000 2.116 296 D HA -0.115 4.525 4.640 0.000 0.000 0.193 296 D C 2.226 178.332 176.300 -0.323 0.000 0.998 296 D CA 1.814 55.644 54.000 -0.284 0.000 0.836 296 D CB -0.518 40.175 40.800 -0.177 0.000 0.951 296 D HN 0.436 nan 8.370 nan 0.000 0.449 297 A N 0.445 123.212 122.820 -0.090 0.000 1.930 297 A HA -0.212 4.109 4.320 0.000 0.000 0.217 297 A C 2.137 179.740 177.584 0.032 0.000 1.175 297 A CA 1.762 53.829 52.037 0.051 0.000 0.627 297 A CB -0.589 18.448 19.000 0.061 0.000 0.815 297 A HN 0.134 nan 8.150 nan 0.000 0.443 298 Q N 0.222 120.007 119.800 -0.026 0.000 2.061 298 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 298 Q C 2.063 178.043 176.000 -0.033 0.000 0.984 298 Q CA 2.427 58.221 55.803 -0.014 0.000 0.846 298 Q CB -0.733 27.988 28.738 -0.029 0.000 0.902 298 Q HN 0.541 nan 8.270 nan 0.000 0.421 299 A N -0.633 122.113 122.820 -0.124 0.000 1.908 299 A HA -0.193 4.128 4.320 0.000 0.000 0.218 299 A C 1.923 179.450 177.584 -0.096 0.000 1.181 299 A CA 1.661 53.604 52.037 -0.157 0.000 0.627 299 A CB -1.079 17.756 19.000 -0.275 0.000 0.818 299 A HN 0.532 nan 8.150 nan 0.000 0.445 300 Y N -1.162 119.105 120.300 -0.055 0.000 2.181 300 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 300 Y C 2.457 178.319 175.900 -0.064 0.000 1.146 300 Y CA 1.483 59.509 58.100 -0.125 0.000 1.164 300 Y CB -0.859 37.557 38.460 -0.073 0.000 0.982 300 Y HN 0.402 nan 8.280 nan 0.000 0.515 301 M N -0.354 119.380 119.600 0.223 0.000 2.080 301 M HA -0.161 4.319 4.480 0.000 0.000 0.260 301 M C 2.042 178.439 176.300 0.163 0.000 1.068 301 M CA 1.585 57.026 55.300 0.235 0.000 1.109 301 M CB -0.867 31.823 32.600 0.149 0.000 1.342 301 M HN 0.003 nan 8.290 nan 0.000 0.405 302 V N -0.667 119.298 119.914 0.085 0.000 2.407 302 V HA -0.245 3.876 4.120 0.000 0.000 0.248 302 V C 2.541 178.666 176.094 0.052 0.000 1.055 302 V CA 2.029 64.365 62.300 0.060 0.000 1.049 302 V CB -1.106 30.730 31.823 0.021 0.000 0.662 302 V HN 0.684 nan 8.190 nan 0.000 0.455 303 S N -1.346 114.362 115.700 0.013 0.000 2.368 303 S HA -0.195 4.276 4.470 0.000 0.000 0.225 303 S C 1.966 176.552 174.600 -0.022 0.000 1.030 303 S CA 1.534 59.710 58.200 -0.040 0.000 0.999 303 S CB -0.346 62.796 63.200 -0.097 0.000 0.844 303 S HN 0.601 nan 8.310 nan 0.000 0.459 304 Y N 2.019 122.350 120.300 0.051 0.000 2.181 304 Y HA -0.097 4.454 4.550 0.000 0.000 0.288 304 Y C 2.702 178.609 175.900 0.012 0.000 1.146 304 Y CA 1.479 59.594 58.100 0.025 0.000 1.164 304 Y CB -0.844 37.630 38.460 0.023 0.000 0.982 304 Y HN 0.394 nan 8.280 nan 0.000 0.515 305 Q N -0.259 119.655 119.800 0.191 0.000 2.061 305 Q HA -0.264 4.076 4.340 0.000 0.000 0.204 305 Q C 2.234 178.330 176.000 0.159 0.000 0.984 305 Q CA 1.849 57.728 55.803 0.126 0.000 0.846 305 Q CB -0.310 28.513 28.738 0.142 0.000 0.902 305 Q HN 0.601 nan 8.270 nan 0.000 0.421 306 Q N -0.037 119.856 119.800 0.155 0.000 2.084 306 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 306 Q C 2.157 178.199 176.000 0.070 0.000 0.978 306 Q CA 1.288 57.174 55.803 0.139 0.000 0.844 306 Q CB -0.239 28.532 28.738 0.055 0.000 0.898 306 Q HN 0.381 nan 8.270 nan 0.000 0.426 307 A N 1.028 123.867 122.820 0.032 0.000 1.902 307 A HA -0.183 4.137 4.320 0.000 0.000 0.217 307 A C 2.037 179.589 177.584 -0.054 0.000 1.181 307 A CA 1.195 53.222 52.037 -0.018 0.000 0.623 307 A CB -0.651 18.363 19.000 0.024 0.000 0.818 307 A HN 0.310 nan 8.150 nan 0.000 0.443 308 I N -1.218 119.326 120.570 -0.043 0.000 2.286 308 I HA -0.245 3.925 4.170 0.000 0.000 0.248 308 I C 2.457 178.357 176.117 -0.362 0.000 1.115 308 I CA 1.171 62.386 61.300 -0.143 0.000 1.392 308 I CB -0.536 37.397 38.000 -0.110 0.000 1.065 308 I HN 0.411 nan 8.210 nan 0.000 0.418 309 H N 0.616 119.558 119.070 -0.213 0.000 2.353 309 H HA -0.094 4.462 4.556 0.000 0.000 0.300 309 H C 2.357 177.444 175.328 -0.402 0.000 1.090 309 H CA 1.757 57.605 56.048 -0.334 0.000 1.327 309 H CB -0.148 29.576 29.762 -0.063 0.000 1.383 309 H HN 0.364 nan 8.280 nan 0.000 0.508 310 A N 0.953 123.697 122.820 -0.126 0.000 1.873 310 A HA -0.075 4.246 4.320 0.000 0.000 0.215 310 A C 2.680 180.134 177.584 -0.217 0.000 1.186 310 A CA 1.047 52.991 52.037 -0.155 0.000 0.616 310 A CB -0.685 18.232 19.000 -0.139 0.000 0.823 310 A HN 0.267 nan 8.150 nan 0.000 0.442 311 I N -0.207 120.221 120.570 -0.236 0.000 2.226 311 I HA -0.180 3.991 4.170 0.000 0.000 0.245 311 I C 2.688 178.693 176.117 -0.187 0.000 1.100 311 I CA 1.104 62.292 61.300 -0.185 0.000 1.374 311 I CB -0.658 37.291 38.000 -0.086 0.000 1.057 311 I HN 0.388 nan 8.210 nan 0.000 0.413 312 G N 0.964 109.521 108.800 -0.405 0.000 2.422 312 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 312 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 312 G C 1.754 176.493 174.900 -0.267 0.000 1.146 312 G CA 0.609 45.390 45.100 -0.532 0.000 0.769 312 G HN 0.324 nan 8.290 nan 0.000 0.547 313 K N 0.436 120.663 120.400 -0.288 0.000 2.103 313 K HA 0.157 4.478 4.320 0.000 0.000 0.204 313 K C 2.925 179.512 176.600 -0.020 0.000 1.052 313 K CA 0.847 57.104 56.287 -0.050 0.000 0.945 313 K CB -0.148 32.331 32.500 -0.035 0.000 0.722 313 K HN 0.256 nan 8.250 nan 0.000 0.443 314 A N 0.791 123.576 122.820 -0.057 0.000 1.898 314 A HA -0.174 4.146 4.320 0.000 0.000 0.216 314 A C 2.196 179.792 177.584 0.020 0.000 1.181 314 A CA 1.947 53.969 52.037 -0.025 0.000 0.620 314 A CB -0.689 18.278 19.000 -0.055 0.000 0.819 314 A HN 0.264 nan 8.150 nan 0.000 0.442 315 S N -0.261 115.457 115.700 0.029 0.000 2.368 315 S HA -0.241 4.229 4.470 0.000 0.000 0.225 315 S C 1.120 175.767 174.600 0.078 0.000 1.030 315 S CA 1.412 59.654 58.200 0.070 0.000 0.999 315 S CB -0.595 62.656 63.200 0.085 0.000 0.844 315 S HN 0.732 nan 8.310 nan 0.000 0.459 316 N N -0.150 118.601 118.700 0.084 0.000 2.740 316 N HA -0.208 4.532 4.740 0.000 0.000 0.248 316 N C 0.544 176.107 175.510 0.088 0.000 1.062 316 N CA 0.602 53.705 53.050 0.088 0.000 0.704 316 N CB -1.512 37.013 38.487 0.064 0.000 0.968 316 N HN 0.862 nan 8.380 nan 0.000 0.547 317 G N -0.403 108.461 108.800 0.106 0.000 2.176 317 G HA2 -0.329 3.632 3.960 0.000 0.000 0.253 317 G HA3 -0.329 3.632 3.960 0.000 0.000 0.253 317 G C 0.774 175.727 174.900 0.088 0.000 0.979 317 G CA 0.570 45.726 45.100 0.094 0.000 0.641 317 G HN 0.576 nan 8.290 nan 0.000 0.530 318 R N 0.493 121.047 120.500 0.089 0.000 2.193 318 R HA 0.313 4.653 4.340 0.000 0.000 0.229 318 R C 1.760 178.113 176.300 0.088 0.000 1.110 318 R CA 1.337 57.488 56.100 0.085 0.000 0.988 318 R CB -0.216 30.137 30.300 0.089 0.000 0.871 318 R HN 1.678 nan 8.270 nan 0.000 0.458 319 G N 0.106 108.962 108.800 0.093 0.000 2.710 319 G HA2 -0.230 3.730 3.960 0.000 0.000 0.668 319 G HA3 -0.230 3.730 3.960 0.000 0.000 0.668 319 G C 0.478 175.387 174.900 0.014 0.000 1.320 319 G CA -0.245 44.900 45.100 0.075 0.000 0.860 319 G HN 0.269 nan 8.290 nan 0.000 0.538 320 I N -2.735 117.759 120.570 -0.126 0.000 2.676 320 I HA 0.113 4.283 4.170 0.000 0.000 0.259 320 I C 2.028 177.922 176.117 -0.372 0.000 1.194 320 I CA 1.262 62.382 61.300 -0.299 0.000 1.473 320 I CB -0.292 37.356 38.000 -0.587 0.000 1.096 320 I HN 0.517 nan 8.210 nan 0.000 0.443 321 Y N 1.615 121.843 120.300 -0.120 0.000 2.239 321 Y HA 0.127 4.678 4.550 0.000 0.000 0.293 321 Y C 2.647 178.528 175.900 -0.031 0.000 1.126 321 Y CA 0.652 58.664 58.100 -0.145 0.000 1.128 321 Y CB -0.100 38.216 38.460 -0.241 0.000 1.066 321 Y HN 0.020 nan 8.280 nan 0.000 0.516 322 E N 0.407 120.701 120.200 0.156 0.000 2.299 322 E HA 0.070 4.420 4.350 0.000 0.000 0.193 322 E C 0.983 177.651 176.600 0.113 0.000 0.998 322 E CA 0.586 57.058 56.400 0.120 0.000 0.851 322 E CB -0.096 29.665 29.700 0.101 0.000 0.795 322 E HN 0.347 nan 8.360 nan 0.000 0.492 323 G N 2.730 111.591 108.800 0.101 0.000 2.488 323 G HA2 0.369 4.329 3.960 0.000 0.000 0.318 323 G HA3 0.369 4.329 3.960 0.000 0.000 0.318 323 G C -2.529 172.446 174.900 0.124 0.000 1.188 323 G CA -1.170 43.998 45.100 0.113 0.000 0.944 323 G HN -0.134 nan 8.290 nan 0.000 0.495 324 P HA 0.357 nan 4.420 nan 0.000 0.274 324 P C 0.099 177.500 177.300 0.168 0.000 1.237 324 P CA 0.013 63.233 63.100 0.200 0.000 0.793 324 P CB 1.747 33.647 31.700 0.333 0.000 0.977 325 G N 0.220 109.116 108.800 0.160 0.000 3.015 325 G HA2 0.654 4.615 3.960 0.000 0.000 0.281 325 G HA3 0.654 4.615 3.960 0.000 0.000 0.281 325 G C -1.570 173.439 174.900 0.182 0.000 1.386 325 G CA -0.756 44.428 45.100 0.139 0.000 0.959 325 G HN 0.563 nan 8.290 nan 0.000 0.522 326 I N -0.654 120.001 120.570 0.142 0.000 2.846 326 I HA 0.711 4.881 4.170 0.000 0.000 0.307 326 I C -0.649 175.525 176.117 0.094 0.000 1.053 326 I CA -0.826 60.566 61.300 0.153 0.000 1.050 326 I CB 2.342 40.425 38.000 0.139 0.000 1.239 326 I HN 0.472 nan 8.210 nan 0.000 0.439 327 S N 6.327 122.090 115.700 0.105 0.000 2.532 327 S HA 0.679 5.150 4.470 0.000 0.000 0.299 327 S C -0.820 173.811 174.600 0.053 0.000 1.105 327 S CA -0.683 57.551 58.200 0.058 0.000 1.018 327 S CB 1.142 64.381 63.200 0.066 0.000 1.021 327 S HN 0.478 nan 8.310 nan 0.000 0.483 328 I N 0.841 121.372 120.570 -0.066 0.000 2.740 328 I HA 0.690 4.860 4.170 0.000 0.000 0.303 328 I C -1.114 174.956 176.117 -0.078 0.000 1.044 328 I CA -0.979 60.196 61.300 -0.207 0.000 1.064 328 I CB 2.019 39.636 38.000 -0.638 0.000 1.249 328 I HN 0.358 nan 8.210 nan 0.000 0.433 329 K N 4.252 124.653 120.400 0.002 0.000 2.307 329 K HA 0.458 4.778 4.320 0.000 0.000 0.263 329 K C 0.511 177.044 176.600 -0.111 0.000 0.973 329 K CA -0.634 55.641 56.287 -0.020 0.000 0.846 329 K CB 2.331 34.851 32.500 0.033 0.000 1.100 329 K HN 0.665 nan 8.250 nan 0.000 0.438 330 L N 1.308 122.402 121.223 -0.216 0.000 2.127 330 L HA -0.245 4.096 4.340 0.000 0.000 0.211 330 L C 2.275 178.726 176.870 -0.699 0.000 1.089 330 L CA 1.500 56.088 54.840 -0.420 0.000 0.757 330 L CB -0.498 41.287 42.059 -0.457 0.000 0.899 330 L HN 0.698 nan 8.230 nan 0.000 0.434 331 S N -0.037 115.284 115.700 -0.632 0.000 2.469 331 S HA -0.108 4.362 4.470 0.000 0.000 0.238 331 S C 1.984 176.559 174.600 -0.042 0.000 0.998 331 S CA 0.767 58.766 58.200 -0.335 0.000 0.957 331 S CB -0.254 62.996 63.200 0.084 0.000 0.764 331 S HN 0.365 nan 8.310 nan 0.000 0.514 332 A N 0.946 123.745 122.820 -0.034 0.000 2.123 332 A HA 0.443 4.763 4.320 0.000 0.000 0.214 332 A C 1.966 179.697 177.584 0.244 0.000 1.152 332 A CA 0.441 52.526 52.037 0.081 0.000 0.728 332 A CB -0.381 18.555 19.000 -0.107 0.000 0.814 332 A HN 0.563 nan 8.150 nan 0.000 0.464 333 L N -1.632 119.668 121.223 0.129 0.000 2.640 333 L HA 0.232 4.572 4.340 0.000 0.000 0.230 333 L C 0.358 177.336 176.870 0.180 0.000 1.123 333 L CA 0.015 54.948 54.840 0.155 0.000 0.900 333 L CB 0.096 42.202 42.059 0.078 0.000 1.146 333 L HN 0.526 nan 8.230 nan 0.000 0.484 334 H N -0.266 118.844 119.070 0.067 0.000 2.966 334 H HA 0.348 4.905 4.556 0.000 0.000 0.347 334 H C -2.733 172.683 175.328 0.147 0.000 1.048 334 H CA -1.737 54.377 56.048 0.109 0.000 1.295 334 H CB 2.264 32.116 29.762 0.149 0.000 1.744 334 H HN -0.255 nan 8.280 nan 0.000 0.513 335 P HA 0.070 nan 4.420 nan 0.000 0.268 335 P C -0.499 176.846 177.300 0.075 0.000 1.204 335 P CA 0.028 63.098 63.100 -0.050 0.000 0.768 335 P CB 0.484 32.107 31.700 -0.128 0.000 0.842 336 R N 1.284 121.873 120.500 0.148 0.000 3.416 336 R HA -0.247 4.093 4.340 0.000 0.000 0.263 336 R C 0.724 177.184 176.300 0.267 0.000 1.053 336 R CA 0.442 56.645 56.100 0.171 0.000 0.705 336 R CB -3.025 27.340 30.300 0.108 0.000 1.124 336 R HN 0.628 nan 8.270 nan 0.000 0.444 337 Y N 1.594 122.012 120.300 0.197 0.000 2.193 337 Y HA -0.309 4.241 4.550 0.001 0.000 0.285 337 Y C 2.332 178.296 175.900 0.108 0.000 1.166 337 Y CA 2.316 60.532 58.100 0.193 0.000 1.181 337 Y CB -0.251 38.304 38.460 0.159 0.000 0.976 337 Y HN 0.433 nan 8.280 nan 0.000 0.520 338 S N -0.016 115.728 115.700 0.073 0.000 2.402 338 S HA -0.236 4.235 4.470 0.000 0.000 0.233 338 S C 1.674 176.224 174.600 -0.083 0.000 1.030 338 S CA 1.676 59.849 58.200 -0.045 0.000 1.003 338 S CB -0.417 62.806 63.200 0.037 0.000 0.813 338 S HN 0.620 nan 8.310 nan 0.000 0.477 339 R N 0.820 121.307 120.500 -0.021 0.000 2.596 339 R HA 0.494 4.834 4.340 0.000 0.000 0.369 339 R C 0.138 176.440 176.300 0.004 0.000 1.042 339 R CA 0.230 56.321 56.100 -0.015 0.000 1.120 339 R CB 0.665 30.974 30.300 0.015 0.000 1.353 339 R HN 0.422 nan 8.270 nan 0.000 0.564 340 A N 1.587 124.408 122.820 0.000 0.000 2.462 340 A HA 0.110 4.430 4.320 0.000 0.000 0.243 340 A C 0.244 177.824 177.584 -0.007 0.000 1.076 340 A CA 0.026 52.093 52.037 0.050 0.000 0.773 340 A CB 0.412 19.461 19.000 0.082 0.000 1.010 340 A HN 0.094 nan 8.150 nan 0.000 0.493 341 Q N 0.578 120.400 119.800 0.037 0.000 2.260 341 Q HA 0.126 4.466 4.340 0.000 0.000 0.242 341 Q C 0.578 176.612 176.000 0.056 0.000 0.932 341 Q CA -0.354 55.480 55.803 0.052 0.000 0.891 341 Q CB 0.722 29.503 28.738 0.071 0.000 1.222 341 Q HN 0.859 nan 8.270 nan 0.000 0.453 342 Y N 2.520 122.804 120.300 -0.027 0.000 2.114 342 Y HA -0.338 4.212 4.550 0.000 0.000 0.282 342 Y C 1.303 177.194 175.900 -0.015 0.000 1.165 342 Y CA 2.445 60.528 58.100 -0.028 0.000 1.148 342 Y CB 0.219 38.663 38.460 -0.027 0.000 0.972 342 Y HN 0.637 nan 8.280 nan 0.000 0.504 343 D N -0.095 120.397 120.400 0.153 0.000 2.104 343 D HA -0.215 4.425 4.640 0.000 0.000 0.194 343 D C 2.579 178.865 176.300 -0.023 0.000 0.994 343 D CA 2.196 56.237 54.000 0.068 0.000 0.830 343 D CB -0.467 40.409 40.800 0.127 0.000 0.959 343 D HN 0.493 nan 8.370 nan 0.000 0.452 344 R N 0.877 121.387 120.500 0.017 0.000 2.092 344 R HA -0.025 4.315 4.340 0.000 0.000 0.231 344 R C 2.525 178.824 176.300 -0.001 0.000 1.119 344 R CA 1.210 57.351 56.100 0.068 0.000 0.970 344 R CB -1.427 28.970 30.300 0.162 0.000 0.864 344 R HN 0.189 nan 8.270 nan 0.000 0.440 345 V N 0.893 120.693 119.914 -0.191 0.000 2.295 345 V HA -0.277 3.843 4.120 0.000 0.000 0.246 345 V C 2.700 178.703 176.094 -0.151 0.000 1.049 345 V CA 1.991 64.107 62.300 -0.307 0.000 1.024 345 V CB -0.398 31.262 31.823 -0.272 0.000 0.648 345 V HN 0.480 nan 8.190 nan 0.000 0.447 346 M N -0.519 118.934 119.600 -0.245 0.000 2.175 346 M HA -0.139 4.341 4.480 0.000 0.000 0.264 346 M C 2.129 178.418 176.300 -0.018 0.000 1.063 346 M CA 1.572 56.755 55.300 -0.194 0.000 1.119 346 M CB -1.184 31.168 32.600 -0.413 0.000 1.377 346 M HN 0.458 nan 8.290 nan 0.000 0.415 347 E N -0.231 119.965 120.200 -0.008 0.000 2.107 347 E HA -0.156 4.194 4.350 0.000 0.000 0.191 347 E C 1.720 178.378 176.600 0.096 0.000 0.982 347 E CA 1.087 57.518 56.400 0.052 0.000 0.809 347 E CB 0.130 29.862 29.700 0.052 0.000 0.756 347 E HN 0.620 nan 8.360 nan 0.000 0.459 348 E N -0.038 120.238 120.200 0.127 0.000 2.306 348 E HA 0.097 4.448 4.350 0.000 0.000 0.201 348 E C 2.010 178.722 176.600 0.186 0.000 0.874 348 E CA -0.122 56.382 56.400 0.172 0.000 0.972 348 E CB 0.184 30.035 29.700 0.252 0.000 0.957 348 E HN 0.055 nan 8.360 nan 0.000 0.492 349 L N 0.530 121.869 121.223 0.193 0.000 2.068 349 L HA -0.078 4.262 4.340 0.000 0.000 0.204 349 L C 2.475 179.398 176.870 0.090 0.000 1.076 349 L CA 1.102 56.031 54.840 0.149 0.000 0.753 349 L CB -0.116 41.985 42.059 0.070 0.000 0.910 349 L HN 0.165 nan 8.230 nan 0.000 0.439 350 Y N 1.395 121.695 120.300 0.000 0.000 2.165 350 Y HA -0.189 4.361 4.550 0.000 0.000 0.286 350 Y C -0.708 175.199 175.900 0.013 0.000 1.155 350 Y CA 1.805 59.903 58.100 -0.002 0.000 1.164 350 Y CB -1.315 37.130 38.460 -0.025 0.000 0.978 350 Y HN 0.214 nan 8.280 nan 0.000 0.513 351 P HA -0.130 nan 4.420 nan 0.000 0.218 351 P C 1.134 178.352 177.300 -0.137 0.000 1.149 351 P CA 1.901 64.953 63.100 -0.081 0.000 0.817 351 P CB -0.043 31.681 31.700 0.040 0.000 0.785 352 R N -1.038 119.413 120.500 -0.082 0.000 2.066 352 R HA -0.066 4.274 4.340 0.000 0.000 0.232 352 R C 2.187 178.410 176.300 -0.128 0.000 1.131 352 R CA 0.920 56.982 56.100 -0.062 0.000 0.955 352 R CB -1.275 29.029 30.300 0.006 0.000 0.851 352 R HN 0.145 nan 8.270 nan 0.000 0.432 353 L N 1.878 122.988 121.223 -0.187 0.000 2.012 353 L HA -0.206 4.134 4.340 0.000 0.000 0.210 353 L C 2.256 178.963 176.870 -0.271 0.000 1.073 353 L CA 1.883 56.596 54.840 -0.212 0.000 0.748 353 L CB -0.447 41.499 42.059 -0.188 0.000 0.891 353 L HN 0.020 nan 8.230 nan 0.000 0.431 354 K N -1.270 118.849 120.400 -0.468 0.000 2.032 354 K HA -0.209 4.111 4.320 0.000 0.000 0.209 354 K C 2.343 178.827 176.600 -0.193 0.000 1.048 354 K CA 1.663 57.722 56.287 -0.379 0.000 0.927 354 K CB -0.350 31.851 32.500 -0.498 0.000 0.712 354 K HN 0.426 nan 8.250 nan 0.000 0.441 355 S N 0.648 116.252 115.700 -0.160 0.000 2.356 355 S HA -0.100 4.370 4.470 0.000 0.000 0.223 355 S C 1.970 176.517 174.600 -0.088 0.000 1.032 355 S CA 1.195 59.337 58.200 -0.097 0.000 1.005 355 S CB -0.265 62.899 63.200 -0.060 0.000 0.867 355 S HN 0.367 nan 8.310 nan 0.000 0.449 356 L N 0.632 121.801 121.223 -0.090 0.000 2.083 356 L HA -0.084 4.256 4.340 0.000 0.000 0.209 356 L C 2.761 179.583 176.870 -0.079 0.000 1.083 356 L CA 1.585 56.377 54.840 -0.079 0.000 0.752 356 L CB -1.062 40.936 42.059 -0.102 0.000 0.899 356 L HN 0.349 nan 8.230 nan 0.000 0.433 357 T N 0.134 114.639 114.554 -0.083 0.000 2.821 357 T HA -0.103 4.247 4.350 0.000 0.000 0.267 357 T C 2.005 176.618 174.700 -0.144 0.000 1.046 357 T CA 0.973 63.046 62.100 -0.045 0.000 1.139 357 T CB -0.163 68.707 68.868 0.003 0.000 0.871 357 T HN 0.179 nan 8.240 nan 0.000 0.454 358 L N 0.328 121.458 121.223 -0.155 0.000 2.046 358 L HA -0.065 4.275 4.340 0.000 0.000 0.208 358 L C 2.434 179.164 176.870 -0.233 0.000 1.077 358 L CA 0.824 55.538 54.840 -0.211 0.000 0.747 358 L CB -0.479 41.492 42.059 -0.147 0.000 0.896 358 L HN 0.230 nan 8.230 nan 0.000 0.432 359 L N 0.013 121.142 121.223 -0.156 0.000 2.056 359 L HA -0.119 4.221 4.340 0.000 0.000 0.207 359 L C 2.628 179.456 176.870 -0.070 0.000 1.078 359 L CA 1.926 56.692 54.840 -0.124 0.000 0.749 359 L CB -0.675 41.322 42.059 -0.102 0.000 0.901 359 L HN 0.139 nan 8.230 nan 0.000 0.433 360 A N -0.532 122.243 122.820 -0.075 0.000 1.902 360 A HA -0.245 4.076 4.320 0.000 0.000 0.217 360 A C 2.546 180.030 177.584 -0.167 0.000 1.181 360 A CA 1.759 53.799 52.037 0.006 0.000 0.623 360 A CB -0.661 18.402 19.000 0.104 0.000 0.818 360 A HN 0.477 nan 8.150 nan 0.000 0.443 361 R N -0.318 119.794 120.500 -0.647 0.000 2.096 361 R HA -0.170 4.170 4.340 0.000 0.000 0.235 361 R C 2.242 178.169 176.300 -0.622 0.000 1.127 361 R CA 1.788 57.117 56.100 -1.286 0.000 0.968 361 R CB -0.330 29.049 30.300 -1.536 0.000 0.861 361 R HN 0.715 nan 8.270 nan 0.000 0.440 362 Q N -0.997 118.552 119.800 -0.418 0.000 2.181 362 Q HA -0.192 4.149 4.340 0.000 0.000 0.205 362 Q C 1.188 176.982 176.000 -0.342 0.000 0.980 362 Q CA 1.713 57.293 55.803 -0.371 0.000 0.862 362 Q CB -0.017 28.478 28.738 -0.404 0.000 0.905 362 Q HN 0.505 nan 8.270 nan 0.000 0.429 363 Y N -0.213 120.016 120.300 -0.118 0.000 2.466 363 Y HA 0.021 4.571 4.550 0.000 0.000 0.272 363 Y C 0.046 175.961 175.900 0.025 0.000 1.169 363 Y CA -0.075 58.004 58.100 -0.035 0.000 1.285 363 Y CB 0.581 39.027 38.460 -0.024 0.000 1.078 363 Y HN 0.045 nan 8.280 nan 0.000 0.523 364 D N 1.409 121.902 120.400 0.155 0.000 2.689 364 D HA -0.210 4.430 4.640 0.000 0.000 0.237 364 D C -0.485 176.011 176.300 0.328 0.000 1.148 364 D CA 0.735 54.927 54.000 0.320 0.000 0.656 364 D CB -1.194 39.754 40.800 0.247 0.000 1.050 364 D HN 0.563 nan 8.370 nan 0.000 0.426 365 I N -3.122 117.657 120.570 0.350 0.000 2.693 365 I HA 0.781 4.951 4.170 0.000 0.000 0.303 365 I C 1.076 177.359 176.117 0.278 0.000 1.025 365 I CA -0.842 60.603 61.300 0.242 0.000 1.086 365 I CB 1.952 40.053 38.000 0.168 0.000 1.268 365 I HN 0.018 nan 8.210 nan 0.000 0.440 366 G N 4.063 112.922 108.800 0.099 0.000 2.491 366 G HA2 0.438 4.398 3.960 0.000 0.000 0.242 366 G HA3 0.438 4.398 3.960 0.000 0.000 0.242 366 G C -0.818 174.145 174.900 0.106 0.000 1.266 366 G CA -0.503 44.608 45.100 0.018 0.000 0.844 366 G HN 0.784 nan 8.290 nan 0.000 0.571 367 I N 1.374 122.007 120.570 0.106 0.000 2.468 367 I HA 0.364 4.534 4.170 0.000 0.000 0.285 367 I C -1.043 175.106 176.117 0.052 0.000 1.039 367 I CA -0.995 60.360 61.300 0.091 0.000 1.074 367 I CB 1.690 39.762 38.000 0.120 0.000 1.228 367 I HN 0.492 nan 8.210 nan 0.000 0.436 368 N N 7.097 125.814 118.700 0.029 0.000 2.399 368 N HA 0.517 5.258 4.740 0.000 0.000 0.295 368 N C -1.321 174.190 175.510 0.001 0.000 1.048 368 N CA -0.530 52.535 53.050 0.024 0.000 0.886 368 N CB 1.564 40.060 38.487 0.015 0.000 1.185 368 N HN 0.542 nan 8.380 nan 0.000 0.487 369 I N 2.418 122.997 120.570 0.014 0.000 2.291 369 I HA 0.183 4.353 4.170 0.000 0.000 0.290 369 I C -0.211 175.819 176.117 -0.145 0.000 1.050 369 I CA -0.774 60.507 61.300 -0.031 0.000 1.245 369 I CB 0.638 38.696 38.000 0.097 0.000 1.405 369 I HN 0.466 nan 8.210 nan 0.000 0.478 370 D N 5.181 125.528 120.400 -0.089 0.000 2.400 370 D HA 0.252 4.892 4.640 0.000 0.000 0.238 370 D C 0.160 176.386 176.300 -0.122 0.000 1.157 370 D CA 0.214 54.172 54.000 -0.070 0.000 0.889 370 D CB 1.065 41.880 40.800 0.025 0.000 1.199 370 D HN 0.562 nan 8.370 nan 0.000 0.436 371 A N 1.921 124.682 122.820 -0.098 0.000 2.292 371 A HA 0.454 4.774 4.320 0.000 0.000 0.319 371 A C 0.347 177.950 177.584 0.032 0.000 1.206 371 A CA -0.495 51.488 52.037 -0.090 0.000 0.835 371 A CB 0.883 19.818 19.000 -0.109 0.000 1.164 371 A HN 0.537 nan 8.150 nan 0.000 0.505 372 E N 0.477 120.648 120.200 -0.049 0.000 3.446 372 E HA 0.218 4.568 4.350 0.000 0.000 0.229 372 E C -0.283 176.025 176.600 -0.486 0.000 0.740 372 E CA -0.820 55.399 56.400 -0.302 0.000 1.531 372 E CB 0.034 29.660 29.700 -0.122 0.000 1.891 372 E HN 0.842 nan 8.360 nan 0.000 0.383 373 E N 1.330 121.249 120.200 -0.469 0.000 2.404 373 E HA -0.024 4.326 4.350 0.000 0.000 0.261 373 E C 0.679 177.224 176.600 -0.091 0.000 1.074 373 E CA 0.387 56.608 56.400 -0.297 0.000 0.917 373 E CB 1.212 30.799 29.700 -0.188 0.000 0.965 373 E HN 0.470 nan 8.360 nan 0.000 0.433 374 S N 1.516 117.206 115.700 -0.017 0.000 2.423 374 S HA -0.209 4.261 4.470 0.000 0.000 0.231 374 S C 1.071 175.695 174.600 0.040 0.000 1.014 374 S CA 1.211 59.435 58.200 0.041 0.000 0.965 374 S CB -0.372 62.883 63.200 0.092 0.000 0.785 374 S HN 0.677 nan 8.310 nan 0.000 0.495 375 D N 0.704 121.131 120.400 0.046 0.000 2.363 375 D HA -0.036 4.604 4.640 0.000 0.000 0.226 375 D C 1.483 177.766 176.300 -0.029 0.000 1.020 375 D CA 0.184 54.218 54.000 0.058 0.000 0.892 375 D CB -0.265 40.566 40.800 0.052 0.000 0.900 375 D HN 0.295 nan 8.370 nan 0.000 0.531 376 R N -0.339 120.132 120.500 -0.047 0.000 2.397 376 R HA 0.186 4.526 4.340 0.000 0.000 0.241 376 R C 1.645 177.957 176.300 0.021 0.000 0.914 376 R CA -0.285 55.775 56.100 -0.066 0.000 1.071 376 R CB -0.317 29.946 30.300 -0.062 0.000 1.116 376 R HN 0.197 nan 8.270 nan 0.000 0.524 377 L N 1.970 123.195 121.223 0.003 0.000 1.990 377 L HA -0.167 4.173 4.340 0.000 0.000 0.213 377 L C 1.977 178.866 176.870 0.031 0.000 1.072 377 L CA 2.011 56.869 54.840 0.030 0.000 0.755 377 L CB -0.289 41.746 42.059 -0.040 0.000 0.889 377 L HN 0.017 nan 8.230 nan 0.000 0.432 378 E N -0.421 119.753 120.200 -0.044 0.000 2.038 378 E HA -0.259 4.091 4.350 0.000 0.000 0.195 378 E C 2.260 178.871 176.600 0.019 0.000 1.000 378 E CA 1.807 58.178 56.400 -0.048 0.000 0.803 378 E CB -0.545 29.114 29.700 -0.070 0.000 0.750 378 E HN 0.563 nan 8.360 nan 0.000 0.448 379 I N 1.441 122.038 120.570 0.046 0.000 2.361 379 I HA -0.242 3.929 4.170 0.000 0.000 0.251 379 I C 2.417 178.622 176.117 0.146 0.000 1.133 379 I CA 1.537 62.893 61.300 0.093 0.000 1.413 379 I CB -0.351 37.679 38.000 0.050 0.000 1.073 379 I HN 0.030 nan 8.210 nan 0.000 0.424 380 S N 0.161 115.978 115.700 0.194 0.000 2.399 380 S HA -0.155 4.315 4.470 0.000 0.000 0.231 380 S C 2.014 176.775 174.600 0.267 0.000 1.022 380 S CA 1.313 59.690 58.200 0.295 0.000 0.983 380 S CB -1.010 62.412 63.200 0.370 0.000 0.803 380 S HN 0.525 nan 8.310 nan 0.000 0.480 381 L N 1.228 122.542 121.223 0.153 0.000 2.109 381 L HA -0.049 4.291 4.340 0.000 0.000 0.207 381 L C 2.377 179.261 176.870 0.023 0.000 1.086 381 L CA 1.326 56.166 54.840 0.001 0.000 0.760 381 L CB -0.705 41.248 42.059 -0.177 0.000 0.910 381 L HN 0.234 nan 8.230 nan 0.000 0.437 382 D N 0.398 120.831 120.400 0.054 0.000 2.117 382 D HA -0.153 4.487 4.640 0.000 0.000 0.197 382 D C 2.387 178.739 176.300 0.087 0.000 0.987 382 D CA 1.228 55.283 54.000 0.091 0.000 0.829 382 D CB -0.141 40.767 40.800 0.180 0.000 0.961 382 D HN 0.263 nan 8.370 nan 0.000 0.460 383 L N 0.049 121.344 121.223 0.119 0.000 2.056 383 L HA -0.124 4.216 4.340 0.000 0.000 0.207 383 L C 2.391 179.390 176.870 0.215 0.000 1.078 383 L CA 0.400 55.350 54.840 0.183 0.000 0.749 383 L CB -0.298 41.898 42.059 0.228 0.000 0.901 383 L HN 0.056 nan 8.230 nan 0.000 0.433 384 L N 0.303 121.614 121.223 0.147 0.000 2.046 384 L HA -0.219 4.121 4.340 0.000 0.000 0.208 384 L C 2.468 179.404 176.870 0.111 0.000 1.077 384 L CA 1.868 56.753 54.840 0.074 0.000 0.747 384 L CB -0.445 41.497 42.059 -0.196 0.000 0.896 384 L HN 0.252 nan 8.230 nan 0.000 0.432 385 E N 0.086 120.376 120.200 0.150 0.000 2.038 385 E HA -0.318 4.032 4.350 0.000 0.000 0.195 385 E C 2.313 179.076 176.600 0.272 0.000 1.000 385 E CA 2.121 58.662 56.400 0.236 0.000 0.803 385 E CB -0.309 29.530 29.700 0.232 0.000 0.750 385 E HN 0.501 nan 8.360 nan 0.000 0.448 386 K N -0.491 119.998 120.400 0.150 0.000 2.057 386 K HA -0.151 4.170 4.320 0.000 0.000 0.207 386 K C 2.175 178.929 176.600 0.256 0.000 1.049 386 K CA 1.242 57.572 56.287 0.072 0.000 0.931 386 K CB -0.274 32.019 32.500 -0.345 0.000 0.714 386 K HN 0.218 nan 8.250 nan 0.000 0.440 387 L N 1.169 122.610 121.223 0.363 0.000 2.012 387 L HA -0.208 4.133 4.340 0.000 0.000 0.210 387 L C 2.033 179.024 176.870 0.200 0.000 1.073 387 L CA 1.711 56.764 54.840 0.356 0.000 0.748 387 L CB -0.654 41.565 42.059 0.267 0.000 0.891 387 L HN 0.300 nan 8.230 nan 0.000 0.431 388 C N -0.947 118.427 119.300 0.124 0.000 2.422 388 C HA -0.084 4.376 4.460 0.000 0.000 0.286 388 C C 2.118 176.980 174.990 -0.214 0.000 1.412 388 C CA 0.372 59.351 59.018 -0.066 0.000 1.786 388 C CB -1.618 26.014 27.740 -0.181 0.000 1.835 388 C HN 0.504 nan 8.230 nan 0.000 0.533 389 F N 0.138 120.127 119.950 0.065 0.000 2.664 389 F HA 0.188 4.715 4.527 0.000 0.000 0.303 389 F C 1.010 176.848 175.800 0.062 0.000 1.092 389 F CA 0.064 58.094 58.000 0.050 0.000 1.305 389 F CB -0.084 38.934 39.000 0.031 0.000 1.054 389 F HN 0.064 nan 8.300 nan 0.000 0.565 390 E N 1.782 122.101 120.200 0.197 0.000 2.417 390 E HA -0.005 4.345 4.350 0.000 0.000 0.261 390 E C -1.580 175.080 176.600 0.099 0.000 1.000 390 E CA -1.272 55.220 56.400 0.153 0.000 0.919 390 E CB 0.591 30.377 29.700 0.142 0.000 0.955 390 E HN 0.115 nan 8.360 nan 0.000 0.455 391 P HA -0.154 nan 4.420 nan 0.000 0.216 391 P C 0.723 178.043 177.300 0.034 0.000 1.150 391 P CA 1.206 64.343 63.100 0.060 0.000 0.837 391 P CB 0.318 32.049 31.700 0.052 0.000 0.786 392 E N -1.027 119.185 120.200 0.020 0.000 2.409 392 E HA -0.037 4.313 4.350 0.000 0.000 0.198 392 E C 1.327 177.909 176.600 -0.030 0.000 1.024 392 E CA 0.504 56.894 56.400 -0.017 0.000 0.861 392 E CB -0.335 29.343 29.700 -0.038 0.000 0.788 392 E HN 0.305 nan 8.360 nan 0.000 0.521 393 L N 0.129 121.363 121.223 0.018 0.000 2.693 393 L HA 0.269 4.609 4.340 0.000 0.000 0.235 393 L C 0.722 177.658 176.870 0.110 0.000 1.127 393 L CA -0.650 54.232 54.840 0.070 0.000 0.914 393 L CB 0.259 42.387 42.059 0.116 0.000 1.193 393 L HN -0.052 nan 8.230 nan 0.000 0.502 394 A N 0.367 123.222 122.820 0.059 0.000 2.546 394 A HA 0.387 4.708 4.320 0.000 0.000 0.243 394 A C 1.482 179.110 177.584 0.074 0.000 1.063 394 A CA 0.819 52.883 52.037 0.044 0.000 0.757 394 A CB -0.191 18.826 19.000 0.029 0.000 0.991 394 A HN 0.595 nan 8.150 nan 0.000 0.503 395 G N 0.375 109.210 108.800 0.059 0.000 2.184 395 G HA2 -0.277 3.683 3.960 0.000 0.000 0.264 395 G HA3 -0.277 3.683 3.960 0.000 0.000 0.264 395 G C -0.060 174.922 174.900 0.136 0.000 0.975 395 G CA 0.678 45.819 45.100 0.068 0.000 0.642 395 G HN 1.441 nan 8.290 nan 0.000 0.536 396 W N 1.321 122.591 121.300 -0.050 0.000 2.478 396 W HA 0.731 5.392 4.660 0.000 0.000 0.318 396 W C 0.182 176.662 176.519 -0.065 0.000 1.062 396 W CA -1.100 56.213 57.345 -0.053 0.000 1.210 396 W CB 0.886 30.315 29.460 -0.051 0.000 1.325 396 W HN -0.041 nan 8.180 nan 0.000 0.496 397 N N 3.529 121.821 118.700 -0.681 0.000 2.338 397 N HA 0.109 4.850 4.740 0.000 0.000 0.251 397 N C 0.885 175.847 175.510 -0.914 0.000 1.199 397 N CA 0.124 52.820 53.050 -0.589 0.000 0.879 397 N CB 1.221 39.497 38.487 -0.351 0.000 1.159 397 N HN 0.725 nan 8.380 nan 0.000 0.514 398 G N 0.198 107.945 108.800 -1.754 0.000 3.042 398 G HA2 0.162 4.122 3.960 0.000 0.000 0.212 398 G HA3 0.162 4.122 3.960 0.000 0.000 0.212 398 G C 0.577 175.035 174.900 -0.737 0.000 1.166 398 G CA -0.167 43.954 45.100 -1.632 0.000 0.767 398 G HN 0.192 nan 8.290 nan 0.000 0.546 399 I N 1.860 122.177 120.570 -0.423 0.000 2.533 399 I HA 0.357 4.527 4.170 0.000 0.000 0.284 399 I C 0.908 176.990 176.117 -0.058 0.000 1.109 399 I CA -0.152 61.105 61.300 -0.072 0.000 1.412 399 I CB 1.117 39.128 38.000 0.019 0.000 1.396 399 I HN 0.036 nan 8.210 nan 0.000 0.543 400 G N 5.739 114.553 108.800 0.023 0.000 2.473 400 G HA2 0.707 4.667 3.960 0.000 0.000 0.321 400 G HA3 0.707 4.667 3.960 0.000 0.000 0.321 400 G C -1.714 173.300 174.900 0.189 0.000 1.200 400 G CA -0.338 44.800 45.100 0.064 0.000 0.963 400 G HN 0.408 nan 8.290 nan 0.000 0.483 401 F N 1.210 121.152 119.950 -0.013 0.000 2.604 401 F HA 0.491 5.018 4.527 0.000 0.000 0.316 401 F C -0.656 175.146 175.800 0.003 0.000 1.136 401 F CA -0.726 57.279 58.000 0.009 0.000 0.989 401 F CB 2.007 41.022 39.000 0.025 0.000 1.258 401 F HN 0.427 nan 8.300 nan 0.000 0.451 402 V N 6.665 126.327 119.914 -0.419 0.000 2.546 402 V HA 0.468 4.588 4.120 0.000 0.000 0.284 402 V C 0.128 176.059 176.094 -0.272 0.000 1.050 402 V CA -0.457 61.685 62.300 -0.263 0.000 0.981 402 V CB 1.327 33.024 31.823 -0.211 0.000 0.990 402 V HN 0.610 nan 8.190 nan 0.000 0.474 403 I N 2.043 122.576 120.570 -0.063 0.000 2.608 403 I HA 0.652 4.822 4.170 0.000 0.000 0.295 403 I C -0.752 175.379 176.117 0.022 0.000 1.049 403 I CA -0.915 60.398 61.300 0.022 0.000 1.063 403 I CB 2.082 40.148 38.000 0.111 0.000 1.248 403 I HN 0.482 nan 8.210 nan 0.000 0.424 404 Q N 3.911 123.752 119.800 0.068 0.000 2.368 404 Q HA 0.506 4.846 4.340 0.000 0.000 0.256 404 Q C 0.773 176.882 176.000 0.183 0.000 0.980 404 Q CA -0.490 55.350 55.803 0.062 0.000 0.887 404 Q CB 2.160 30.948 28.738 0.082 0.000 1.221 404 Q HN 0.892 nan 8.270 nan 0.000 0.458 405 A N 2.972 125.896 122.820 0.173 0.000 2.121 405 A HA -0.182 4.138 4.320 0.000 0.000 0.218 405 A C 1.308 179.177 177.584 0.475 0.000 1.154 405 A CA 1.006 53.211 52.037 0.279 0.000 0.679 405 A CB -0.412 18.759 19.000 0.285 0.000 0.795 405 A HN 0.854 nan 8.150 nan 0.000 0.458 406 Y N -0.012 120.486 120.300 0.329 0.000 2.583 406 Y HA 0.200 4.750 4.550 0.001 0.000 0.293 406 Y C 0.489 176.593 175.900 0.339 0.000 1.157 406 Y CA -0.556 57.798 58.100 0.424 0.000 1.315 406 Y CB -1.297 37.386 38.460 0.373 0.000 1.021 406 Y HN 0.383 nan 8.280 nan 0.000 0.536 407 Q N 1.452 121.594 119.800 0.571 0.000 2.261 407 Q HA 0.153 4.493 4.340 0.000 0.000 0.252 407 Q C 0.592 176.657 176.000 0.108 0.000 0.915 407 Q CA -0.380 55.557 55.803 0.223 0.000 0.915 407 Q CB 1.604 30.484 28.738 0.236 0.000 1.204 407 Q HN 0.303 nan 8.270 nan 0.000 0.421 408 K N 1.343 121.672 120.400 -0.119 0.000 2.209 408 K HA -0.137 4.184 4.320 0.000 0.000 0.204 408 K C 1.539 178.185 176.600 0.077 0.000 1.048 408 K CA 1.100 57.341 56.287 -0.076 0.000 0.940 408 K CB 0.139 32.557 32.500 -0.137 0.000 0.729 408 K HN 0.378 nan 8.250 nan 0.000 0.451 409 R N -0.062 120.478 120.500 0.068 0.000 2.276 409 R HA -0.017 4.323 4.340 0.000 0.000 0.203 409 R C 2.279 178.636 176.300 0.095 0.000 1.017 409 R CA 0.303 56.438 56.100 0.058 0.000 1.010 409 R CB -0.408 29.883 30.300 -0.015 0.000 0.900 409 R HN 0.258 nan 8.270 nan 0.000 0.469 410 C N 1.547 120.931 119.300 0.141 0.000 2.393 410 C HA -0.064 4.396 4.460 0.000 0.000 0.276 410 C C -0.572 174.492 174.990 0.122 0.000 1.215 410 C CA 0.902 60.009 59.018 0.147 0.000 1.743 410 C CB -0.785 27.064 27.740 0.182 0.000 2.044 410 C HN 0.278 nan 8.230 nan 0.000 0.464 411 P HA -0.055 nan 4.420 nan 0.000 0.218 411 P C 1.628 178.981 177.300 0.088 0.000 1.149 411 P CA 1.157 64.315 63.100 0.095 0.000 0.817 411 P CB -0.242 31.515 31.700 0.095 0.000 0.785 412 L N -1.197 120.079 121.223 0.090 0.000 2.156 412 L HA -0.070 4.271 4.340 0.000 0.000 0.208 412 L C 2.325 179.261 176.870 0.110 0.000 1.095 412 L CA 1.500 56.390 54.840 0.084 0.000 0.770 412 L CB -1.747 40.350 42.059 0.063 0.000 0.914 412 L HN -0.069 nan 8.230 nan 0.000 0.439 413 V N 0.174 120.159 119.914 0.117 0.000 2.407 413 V HA -0.254 3.866 4.120 0.000 0.000 0.248 413 V C 2.539 178.745 176.094 0.186 0.000 1.055 413 V CA 1.333 63.735 62.300 0.170 0.000 1.049 413 V CB -0.249 31.677 31.823 0.173 0.000 0.662 413 V HN 0.276 nan 8.190 nan 0.000 0.455 414 I N 0.114 120.758 120.570 0.124 0.000 2.226 414 I HA -0.229 3.941 4.170 0.000 0.000 0.245 414 I C 2.298 178.450 176.117 0.059 0.000 1.100 414 I CA 1.549 62.896 61.300 0.080 0.000 1.374 414 I CB -0.501 37.532 38.000 0.055 0.000 1.057 414 I HN 0.314 nan 8.210 nan 0.000 0.413 415 D N 0.178 120.624 120.400 0.076 0.000 2.123 415 D HA -0.251 4.389 4.640 0.000 0.000 0.196 415 D C 1.911 178.249 176.300 0.064 0.000 0.992 415 D CA 1.432 55.469 54.000 0.061 0.000 0.833 415 D CB -0.470 40.372 40.800 0.071 0.000 0.954 415 D HN 0.390 nan 8.370 nan 0.000 0.455 416 Y N 1.528 121.832 120.300 0.006 0.000 2.145 416 Y HA -0.168 4.382 4.550 0.000 0.000 0.286 416 Y C 2.167 178.057 175.900 -0.016 0.000 1.145 416 Y CA 1.352 59.450 58.100 -0.004 0.000 1.148 416 Y CB -0.544 37.911 38.460 -0.009 0.000 0.981 416 Y HN -0.087 nan 8.280 nan 0.000 0.507 417 L N -0.308 120.764 121.223 -0.252 0.000 2.083 417 L HA -0.225 4.115 4.340 0.000 0.000 0.209 417 L C 2.506 179.220 176.870 -0.260 0.000 1.083 417 L CA 1.426 56.062 54.840 -0.339 0.000 0.752 417 L CB -0.578 41.421 42.059 -0.099 0.000 0.899 417 L HN 0.292 nan 8.230 nan 0.000 0.433 418 I N 0.106 120.588 120.570 -0.146 0.000 2.179 418 I HA -0.331 3.840 4.170 0.000 0.000 0.242 418 I C 2.215 178.259 176.117 -0.121 0.000 1.088 418 I CA 1.771 63.011 61.300 -0.100 0.000 1.357 418 I CB -0.293 37.680 38.000 -0.046 0.000 1.051 418 I HN 0.305 nan 8.210 nan 0.000 0.409 419 D N 0.684 121.000 120.400 -0.140 0.000 2.144 419 D HA -0.212 4.429 4.640 0.000 0.000 0.199 419 D C 2.039 178.243 176.300 -0.160 0.000 0.984 419 D CA 0.901 54.833 54.000 -0.115 0.000 0.834 419 D CB 0.076 40.835 40.800 -0.068 0.000 0.955 419 D HN 0.157 nan 8.370 nan 0.000 0.465 420 L N 0.411 121.436 121.223 -0.330 0.000 2.056 420 L HA 0.050 4.390 4.340 0.000 0.000 0.207 420 L C 2.154 178.897 176.870 -0.212 0.000 1.078 420 L CA 2.072 56.730 54.840 -0.305 0.000 0.749 420 L CB -1.048 40.671 42.059 -0.566 0.000 0.901 420 L HN 0.073 nan 8.230 nan 0.000 0.433 421 A N -1.267 121.431 122.820 -0.204 0.000 1.908 421 A HA -0.230 4.090 4.320 0.000 0.000 0.218 421 A C 2.260 179.772 177.584 -0.120 0.000 1.181 421 A CA 2.483 54.427 52.037 -0.155 0.000 0.627 421 A CB -1.321 17.609 19.000 -0.117 0.000 0.818 421 A HN 0.543 nan 8.150 nan 0.000 0.445 422 T N -0.377 114.123 114.554 -0.090 0.000 2.674 422 T HA -0.149 4.201 4.350 0.000 0.000 0.265 422 T C 2.082 176.762 174.700 -0.034 0.000 1.039 422 T CA 1.596 63.665 62.100 -0.052 0.000 1.150 422 T CB -0.252 68.595 68.868 -0.034 0.000 0.864 422 T HN 0.515 nan 8.240 nan 0.000 0.427 423 R N 1.310 121.806 120.500 -0.006 0.000 2.096 423 R HA -0.041 4.299 4.340 0.000 0.000 0.235 423 R C 2.641 178.965 176.300 0.040 0.000 1.127 423 R CA 1.630 57.790 56.100 0.099 0.000 0.968 423 R CB -0.271 30.170 30.300 0.235 0.000 0.861 423 R HN 0.463 nan 8.270 nan 0.000 0.440 424 S N -0.435 115.115 115.700 -0.249 0.000 2.605 424 S HA 0.143 4.613 4.470 0.000 0.000 0.217 424 S C 0.773 175.185 174.600 -0.312 0.000 0.958 424 S CA 0.337 58.150 58.200 -0.645 0.000 0.919 424 S CB 0.347 62.919 63.200 -1.047 0.000 0.780 424 S HN 0.426 nan 8.310 nan 0.000 0.507 425 R N 0.789 121.191 120.500 -0.163 0.000 3.205 425 R HA -0.169 4.172 4.340 0.000 0.000 0.249 425 R C 0.018 176.258 176.300 -0.100 0.000 0.937 425 R CA 1.540 57.582 56.100 -0.097 0.000 0.641 425 R CB -3.094 27.170 30.300 -0.059 0.000 1.114 425 R HN 1.104 nan 8.270 nan 0.000 0.451 426 R N -1.642 118.791 120.500 -0.111 0.000 2.766 426 R HA 0.724 5.065 4.340 0.000 0.000 0.270 426 R C -0.690 175.557 176.300 -0.089 0.000 1.035 426 R CA -0.888 55.152 56.100 -0.099 0.000 0.911 426 R CB 1.292 31.521 30.300 -0.119 0.000 1.243 426 R HN 0.354 nan 8.270 nan 0.000 0.460 427 R N 1.746 122.197 120.500 -0.082 0.000 2.255 427 R HA 0.396 4.736 4.340 0.000 0.000 0.326 427 R C -0.889 175.366 176.300 -0.075 0.000 0.986 427 R CA -0.561 55.508 56.100 -0.052 0.000 0.847 427 R CB 0.883 31.177 30.300 -0.011 0.000 1.111 427 R HN 0.578 nan 8.270 nan 0.000 0.452 428 L N 5.362 126.553 121.223 -0.054 0.000 2.326 428 L HA 0.361 4.701 4.340 0.000 0.000 0.278 428 L C 0.276 177.149 176.870 0.004 0.000 1.092 428 L CA -0.431 54.377 54.840 -0.053 0.000 0.810 428 L CB 1.521 43.545 42.059 -0.058 0.000 1.153 428 L HN 0.531 nan 8.230 nan 0.000 0.439 429 M N 4.859 124.459 119.600 0.000 0.000 2.108 429 M HA 0.341 4.821 4.480 0.000 0.000 0.347 429 M C -0.856 175.464 176.300 0.033 0.000 1.326 429 M CA -0.089 55.254 55.300 0.072 0.000 1.126 429 M CB 0.648 33.275 32.600 0.044 0.000 1.606 429 M HN 0.283 nan 8.290 nan 0.000 0.462 430 I N 4.379 124.933 120.570 -0.027 0.000 2.382 430 I HA 0.370 4.540 4.170 0.000 0.000 0.286 430 I C 0.102 176.132 176.117 -0.146 0.000 1.002 430 I CA -0.492 60.784 61.300 -0.040 0.000 1.135 430 I CB 1.389 39.363 38.000 -0.044 0.000 1.288 430 I HN 0.668 nan 8.210 nan 0.000 0.448 431 R N 5.117 125.560 120.500 -0.094 0.000 2.216 431 R HA 0.374 4.714 4.340 0.000 0.000 0.332 431 R C -0.566 175.663 176.300 -0.117 0.000 1.056 431 R CA -0.872 55.151 56.100 -0.128 0.000 0.901 431 R CB 1.196 31.454 30.300 -0.069 0.000 1.039 431 R HN 0.316 nan 8.270 nan 0.000 0.456 432 L N 5.617 126.735 121.223 -0.176 0.000 2.260 432 L HA 0.292 4.632 4.340 0.000 0.000 0.289 432 L C -0.330 176.572 176.870 0.054 0.000 1.057 432 L CA -0.292 54.464 54.840 -0.140 0.000 0.811 432 L CB 1.286 43.166 42.059 -0.299 0.000 1.184 432 L HN 0.453 nan 8.230 nan 0.000 0.429 433 V N 2.388 122.359 119.914 0.094 0.000 3.126 433 V HA 0.622 4.742 4.120 0.000 0.000 0.314 433 V C 0.771 176.989 176.094 0.207 0.000 1.138 433 V CA -0.674 61.739 62.300 0.188 0.000 1.034 433 V CB 1.786 33.626 31.823 0.029 0.000 1.075 433 V HN 0.753 nan 8.190 nan 0.000 0.442 434 K N 1.306 121.779 120.400 0.121 0.000 2.020 434 K HA 0.552 4.872 4.320 0.000 0.000 0.206 434 K C 0.753 177.104 176.600 -0.415 0.000 1.038 434 K CA 1.189 57.490 56.287 0.022 0.000 0.947 434 K CB -0.111 32.392 32.500 0.005 0.000 0.744 434 K HN 1.359 nan 8.250 nan 0.000 0.442 435 G N -1.082 107.407 108.800 -0.519 0.000 2.343 435 G HA2 0.311 4.271 3.960 0.000 0.000 0.298 435 G HA3 0.311 4.271 3.960 0.000 0.000 0.298 435 G C -0.648 174.053 174.900 -0.331 0.000 1.644 435 G CA -0.310 44.227 45.100 -0.937 0.000 0.958 435 G HN 0.140 nan 8.290 nan 0.000 0.702 436 A N 0.169 122.947 122.820 -0.069 0.000 2.303 436 A HA 0.526 4.846 4.320 0.000 0.000 0.217 436 A C 0.740 178.230 177.584 -0.156 0.000 1.205 436 A CA 0.565 52.498 52.037 -0.174 0.000 0.875 436 A CB 0.030 18.777 19.000 -0.422 0.000 0.910 436 A HN 0.834 nan 8.150 nan 0.000 0.501 437 Y N -3.088 117.435 120.300 0.373 0.000 2.681 437 Y HA 0.148 4.699 4.550 0.000 0.000 0.267 437 Y C 1.255 177.340 175.900 0.308 0.000 1.166 437 Y CA -1.227 57.052 58.100 0.298 0.000 1.209 437 Y CB -0.248 38.357 38.460 0.242 0.000 1.161 437 Y HN 0.558 nan 8.280 nan 0.000 0.534 438 W N 1.773 123.296 121.300 0.372 0.000 2.335 438 W HA -0.214 4.446 4.660 0.000 0.000 0.311 438 W C 1.084 177.637 176.519 0.056 0.000 1.213 438 W CA 2.440 59.884 57.345 0.165 0.000 1.274 438 W CB -0.096 29.495 29.460 0.220 0.000 1.148 438 W HN 0.171 nan 8.180 nan 0.000 0.498 439 D N -0.765 119.743 120.400 0.181 0.000 2.117 439 D HA -0.197 4.444 4.640 0.000 0.000 0.197 439 D C 2.335 178.534 176.300 -0.169 0.000 0.987 439 D CA 2.161 56.117 54.000 -0.073 0.000 0.829 439 D CB -0.404 40.468 40.800 0.119 0.000 0.961 439 D HN 0.038 nan 8.370 nan 0.000 0.460 440 S N 0.056 115.741 115.700 -0.026 0.000 2.387 440 S HA -0.103 4.367 4.470 0.000 0.000 0.226 440 S C 1.724 176.282 174.600 -0.070 0.000 1.026 440 S CA 0.589 58.785 58.200 -0.008 0.000 0.972 440 S CB -0.088 63.176 63.200 0.106 0.000 0.814 440 S HN 0.232 nan 8.310 nan 0.000 0.477 441 E N 1.299 121.433 120.200 -0.110 0.000 2.085 441 E HA -0.113 4.237 4.350 0.000 0.000 0.194 441 E C 2.051 178.520 176.600 -0.219 0.000 0.994 441 E CA 0.843 57.145 56.400 -0.164 0.000 0.801 441 E CB -0.337 29.218 29.700 -0.243 0.000 0.743 441 E HN 0.395 nan 8.360 nan 0.000 0.453 442 I N 1.268 121.567 120.570 -0.451 0.000 2.179 442 I HA -0.242 3.928 4.170 0.000 0.000 0.242 442 I C 2.191 178.222 176.117 -0.143 0.000 1.088 442 I CA 1.281 62.332 61.300 -0.415 0.000 1.357 442 I CB -0.841 36.663 38.000 -0.827 0.000 1.051 442 I HN 0.073 nan 8.210 nan 0.000 0.409 443 K N 0.624 120.926 120.400 -0.162 0.000 2.057 443 K HA -0.176 4.145 4.320 0.000 0.000 0.207 443 K C 2.526 179.100 176.600 -0.043 0.000 1.049 443 K CA 1.957 58.196 56.287 -0.079 0.000 0.931 443 K CB -0.354 32.106 32.500 -0.068 0.000 0.714 443 K HN 0.337 nan 8.250 nan 0.000 0.440 444 R N 1.123 121.596 120.500 -0.046 0.000 2.081 444 R HA -0.007 4.333 4.340 0.000 0.000 0.235 444 R C 2.322 178.593 176.300 -0.047 0.000 1.131 444 R CA 1.799 57.877 56.100 -0.037 0.000 0.960 444 R CB -1.595 28.686 30.300 -0.033 0.000 0.856 444 R HN 0.367 nan 8.270 nan 0.000 0.436 445 A N 0.706 123.505 122.820 -0.035 0.000 1.930 445 A HA -0.188 4.132 4.320 0.000 0.000 0.217 445 A C 2.291 179.797 177.584 -0.130 0.000 1.175 445 A CA 1.517 53.497 52.037 -0.095 0.000 0.627 445 A CB -0.261 18.704 19.000 -0.058 0.000 0.815 445 A HN 0.703 nan 8.150 nan 0.000 0.443 446 Q N -1.229 118.552 119.800 -0.032 0.000 2.297 446 Q HA 0.035 4.375 4.340 0.000 0.000 0.204 446 Q C 1.957 177.927 176.000 -0.051 0.000 0.962 446 Q CA 1.115 56.897 55.803 -0.034 0.000 0.879 446 Q CB -0.146 28.610 28.738 0.030 0.000 0.947 446 Q HN 0.712 nan 8.270 nan 0.000 0.462 447 M N 0.011 119.582 119.600 -0.049 0.000 2.334 447 M HA -0.081 4.399 4.480 0.000 0.000 0.266 447 M C 0.691 176.957 176.300 -0.058 0.000 1.082 447 M CA 0.902 56.176 55.300 -0.044 0.000 1.141 447 M CB 0.294 32.874 32.600 -0.033 0.000 1.380 447 M HN 0.014 nan 8.290 nan 0.000 0.440 448 D N 0.250 120.603 120.400 -0.077 0.000 2.347 448 D HA 0.056 4.696 4.640 0.000 0.000 0.215 448 D C 1.166 177.403 176.300 -0.104 0.000 0.976 448 D CA 0.813 54.760 54.000 -0.088 0.000 0.884 448 D CB -0.260 40.479 40.800 -0.102 0.000 0.915 448 D HN 0.455 nan 8.370 nan 0.000 0.526 449 G N 1.004 109.734 108.800 -0.117 0.000 2.341 449 G HA2 -0.303 3.657 3.960 0.000 0.000 0.292 449 G HA3 -0.303 3.657 3.960 0.000 0.000 0.292 449 G C 0.272 175.088 174.900 -0.140 0.000 1.021 449 G CA 0.252 45.280 45.100 -0.120 0.000 0.905 449 G HN 0.301 nan 8.290 nan 0.000 0.508 450 L N -0.642 120.470 121.223 -0.186 0.000 2.567 450 L HA 0.361 4.701 4.340 0.000 0.000 0.238 450 L C 2.103 178.849 176.870 -0.208 0.000 1.168 450 L CA -0.288 54.436 54.840 -0.193 0.000 0.817 450 L CB 0.290 42.213 42.059 -0.227 0.000 1.409 450 L HN 0.350 nan 8.230 nan 0.000 0.502 451 E N 0.232 120.322 120.200 -0.184 0.000 2.409 451 E HA 0.036 4.386 4.350 0.000 0.000 0.198 451 E C 0.422 176.914 176.600 -0.179 0.000 1.024 451 E CA 0.808 57.117 56.400 -0.151 0.000 0.861 451 E CB 0.336 29.970 29.700 -0.110 0.000 0.788 451 E HN 0.728 nan 8.360 nan 0.000 0.521 452 G N -0.633 108.008 108.800 -0.265 0.000 2.427 452 G HA2 0.373 4.333 3.960 0.000 0.000 0.306 452 G HA3 0.373 4.333 3.960 0.000 0.000 0.306 452 G C -1.837 172.805 174.900 -0.431 0.000 1.280 452 G CA -0.954 43.962 45.100 -0.306 0.000 0.837 452 G HN 0.070 nan 8.290 nan 0.000 0.482 453 Y N 0.551 120.805 120.300 -0.076 0.000 2.387 453 Y HA 0.465 5.015 4.550 0.000 0.000 0.330 453 Y C -1.171 174.673 175.900 -0.095 0.000 1.133 453 Y CA -1.783 56.260 58.100 -0.096 0.000 1.152 453 Y CB 2.509 40.923 38.460 -0.077 0.000 1.215 453 Y HN 0.297 nan 8.280 nan 0.000 0.466 454 P HA -0.019 nan 4.420 nan 0.000 0.240 454 P C -0.226 177.060 177.300 -0.023 0.000 1.190 454 P CA 0.679 63.832 63.100 0.088 0.000 0.781 454 P CB 0.397 32.212 31.700 0.191 0.000 0.931 455 V N -4.021 115.850 119.914 -0.070 0.000 3.046 455 V HA 0.509 4.629 4.120 0.000 0.000 0.316 455 V C -0.170 175.875 176.094 -0.083 0.000 1.104 455 V CA -1.726 60.483 62.300 -0.152 0.000 1.006 455 V CB 0.794 32.453 31.823 -0.273 0.000 1.058 455 V HN -0.176 nan 8.190 nan 0.000 0.440 456 Y N 0.929 121.385 120.300 0.260 0.000 2.385 456 Y HA 0.375 4.926 4.550 0.000 0.000 0.346 456 Y C 2.010 178.133 175.900 0.372 0.000 1.270 456 Y CA 0.773 59.068 58.100 0.324 0.000 1.472 456 Y CB 0.986 39.670 38.460 0.374 0.000 1.354 456 Y HN 0.886 nan 8.280 nan 0.000 0.611 457 T N -2.638 112.210 114.554 0.490 0.000 2.985 457 T HA 0.324 4.674 4.350 0.000 0.000 0.254 457 T C 0.391 175.280 174.700 0.314 0.000 1.021 457 T CA -0.310 62.024 62.100 0.390 0.000 0.957 457 T CB 0.153 69.127 68.868 0.177 0.000 1.047 457 T HN 0.442 nan 8.240 nan 0.000 0.511 458 R N 1.130 121.700 120.500 0.118 0.000 2.460 458 R HA 0.452 4.792 4.340 0.000 0.000 0.303 458 R C 1.060 177.206 176.300 -0.257 0.000 0.968 458 R CA -0.832 55.132 56.100 -0.227 0.000 0.889 458 R CB 1.410 31.227 30.300 -0.805 0.000 1.123 458 R HN -0.083 nan 8.270 nan 0.000 0.455 459 K N 2.278 122.523 120.400 -0.258 0.000 2.097 459 K HA -0.104 4.216 4.320 0.000 0.000 0.206 459 K C 1.543 178.048 176.600 -0.157 0.000 1.049 459 K CA 1.439 57.591 56.287 -0.224 0.000 0.933 459 K CB 0.066 32.422 32.500 -0.240 0.000 0.717 459 K HN 0.441 nan 8.250 nan 0.000 0.442 460 V N 1.148 120.932 119.914 -0.216 0.000 2.594 460 V HA -0.228 3.892 4.120 0.000 0.000 0.253 460 V C 1.806 177.887 176.094 -0.021 0.000 1.069 460 V CA 1.549 63.768 62.300 -0.136 0.000 1.082 460 V CB -0.494 31.238 31.823 -0.151 0.000 0.680 460 V HN 0.256 nan 8.190 nan 0.000 0.469 461 Y N 0.690 120.924 120.300 -0.109 0.000 2.242 461 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 461 Y C 2.806 178.493 175.900 -0.355 0.000 1.137 461 Y CA 1.423 59.364 58.100 -0.265 0.000 1.181 461 Y CB -1.685 36.583 38.460 -0.320 0.000 0.989 461 Y HN 0.241 nan 8.280 nan 0.000 0.527 462 T N 0.027 114.588 114.554 0.012 0.000 2.788 462 T HA -0.160 4.191 4.350 0.000 0.000 0.268 462 T C 1.382 176.143 174.700 0.102 0.000 1.044 462 T CA 1.653 63.825 62.100 0.121 0.000 1.139 462 T CB -0.304 68.700 68.868 0.227 0.000 0.867 462 T HN 0.272 nan 8.240 nan 0.000 0.454 463 D N 0.701 121.128 120.400 0.044 0.000 2.117 463 D HA -0.052 4.588 4.640 0.000 0.000 0.197 463 D C 2.265 178.621 176.300 0.093 0.000 0.987 463 D CA 0.651 54.679 54.000 0.047 0.000 0.829 463 D CB -0.521 40.275 40.800 -0.007 0.000 0.961 463 D HN 0.195 nan 8.370 nan 0.000 0.460 464 V N 0.642 120.586 119.914 0.050 0.000 2.295 464 V HA -0.230 3.890 4.120 0.000 0.000 0.246 464 V C 2.603 178.726 176.094 0.049 0.000 1.049 464 V CA 1.877 64.202 62.300 0.041 0.000 1.024 464 V CB -0.610 31.216 31.823 0.006 0.000 0.648 464 V HN 0.202 nan 8.190 nan 0.000 0.447 465 S N -1.211 114.497 115.700 0.013 0.000 2.359 465 S HA -0.302 4.168 4.470 0.000 0.000 0.224 465 S C 1.991 176.684 174.600 0.155 0.000 1.035 465 S CA 2.189 60.437 58.200 0.080 0.000 1.018 465 S CB -0.508 62.772 63.200 0.134 0.000 0.876 465 S HN 0.659 nan 8.310 nan 0.000 0.448 466 Y N 1.601 121.942 120.300 0.069 0.000 2.128 466 Y HA -0.104 4.446 4.550 0.000 0.000 0.284 466 Y C 2.052 177.985 175.900 0.055 0.000 1.154 466 Y CA 2.011 60.158 58.100 0.078 0.000 1.149 466 Y CB -0.265 38.233 38.460 0.064 0.000 0.976 466 Y HN 0.257 nan 8.280 nan 0.000 0.505 467 L N -0.712 120.667 121.223 0.260 0.000 2.046 467 L HA -0.221 4.119 4.340 0.000 0.000 0.208 467 L C 2.783 179.685 176.870 0.052 0.000 1.077 467 L CA 1.073 55.998 54.840 0.140 0.000 0.747 467 L CB -0.999 41.132 42.059 0.120 0.000 0.896 467 L HN 0.307 nan 8.230 nan 0.000 0.432 468 A N -0.770 122.084 122.820 0.056 0.000 1.902 468 A HA -0.226 4.094 4.320 0.000 0.000 0.217 468 A C 2.389 179.988 177.584 0.025 0.000 1.181 468 A CA 1.893 53.952 52.037 0.036 0.000 0.623 468 A CB -1.147 17.879 19.000 0.044 0.000 0.818 468 A HN 0.540 nan 8.150 nan 0.000 0.443 469 C N -1.115 118.195 119.300 0.018 0.000 2.440 469 C HA 0.125 4.585 4.460 0.000 0.000 0.278 469 C C 3.297 178.281 174.990 -0.010 0.000 1.295 469 C CA 0.565 59.582 59.018 -0.003 0.000 1.738 469 C CB -1.301 26.422 27.740 -0.029 0.000 1.987 469 C HN 0.703 nan 8.230 nan 0.000 0.492 470 A N 0.719 123.520 122.820 -0.032 0.000 1.902 470 A HA -0.198 4.123 4.320 0.000 0.000 0.217 470 A C 2.188 179.786 177.584 0.023 0.000 1.181 470 A CA 1.566 53.629 52.037 0.043 0.000 0.623 470 A CB -0.448 18.445 19.000 -0.178 0.000 0.818 470 A HN 0.672 nan 8.150 nan 0.000 0.443 471 K N -0.163 120.226 120.400 -0.018 0.000 2.057 471 K HA -0.159 4.161 4.320 0.000 0.000 0.207 471 K C 2.083 178.688 176.600 0.009 0.000 1.049 471 K CA 1.701 57.979 56.287 -0.015 0.000 0.931 471 K CB -0.211 32.282 32.500 -0.012 0.000 0.714 471 K HN 0.445 nan 8.250 nan 0.000 0.440 472 K N 0.834 121.243 120.400 0.017 0.000 2.057 472 K HA -0.106 4.214 4.320 0.000 0.000 0.207 472 K C 2.167 178.780 176.600 0.020 0.000 1.049 472 K CA 1.162 57.461 56.287 0.019 0.000 0.931 472 K CB -0.135 32.378 32.500 0.022 0.000 0.714 472 K HN 0.083 nan 8.250 nan 0.000 0.440 473 L N 0.641 121.882 121.223 0.029 0.000 2.056 473 L HA -0.154 4.186 4.340 0.000 0.000 0.207 473 L C 2.234 179.124 176.870 0.032 0.000 1.078 473 L CA 0.948 55.798 54.840 0.016 0.000 0.749 473 L CB -0.376 41.675 42.059 -0.014 0.000 0.901 473 L HN 0.154 nan 8.230 nan 0.000 0.433 474 L N -0.222 121.041 121.223 0.066 0.000 2.275 474 L HA -0.122 4.218 4.340 0.000 0.000 0.215 474 L C 2.657 179.546 176.870 0.031 0.000 1.119 474 L CA 0.668 55.538 54.840 0.049 0.000 0.790 474 L CB -0.546 41.521 42.059 0.013 0.000 0.919 474 L HN 0.222 nan 8.230 nan 0.000 0.443 475 A N -0.224 122.610 122.820 0.023 0.000 2.119 475 A HA 0.009 4.329 4.320 0.000 0.000 0.217 475 A C 1.255 178.853 177.584 0.023 0.000 1.153 475 A CA 1.106 53.155 52.037 0.020 0.000 0.692 475 A CB -0.290 18.718 19.000 0.014 0.000 0.799 475 A HN 0.258 nan 8.150 nan 0.000 0.458 476 V N -3.968 115.960 119.914 0.024 0.000 2.454 476 V HA 0.325 4.445 4.120 0.000 0.000 0.255 476 V C -2.266 173.848 176.094 0.034 0.000 1.009 476 V CA -1.307 61.005 62.300 0.021 0.000 1.149 476 V CB 0.657 32.484 31.823 0.006 0.000 1.418 476 V HN 0.101 nan 8.190 nan 0.000 0.567 477 P HA -0.099 nan 4.420 nan 0.000 0.222 477 P C 1.385 178.732 177.300 0.080 0.000 1.147 477 P CA 1.455 64.611 63.100 0.093 0.000 0.790 477 P CB 0.037 31.826 31.700 0.148 0.000 0.780 478 N N -0.080 118.647 118.700 0.044 0.000 2.457 478 N HA -0.064 4.676 4.740 0.000 0.000 0.180 478 N C 1.421 176.937 175.510 0.011 0.000 1.050 478 N CA 0.916 53.979 53.050 0.022 0.000 0.906 478 N CB -0.929 37.560 38.487 0.003 0.000 0.968 478 N HN 0.258 nan 8.380 nan 0.000 0.445 479 L N -0.607 120.622 121.223 0.010 0.000 2.537 479 L HA 0.438 4.779 4.340 0.000 0.000 0.224 479 L C 0.479 177.345 176.870 -0.006 0.000 1.065 479 L CA 0.249 55.081 54.840 -0.012 0.000 0.860 479 L CB 0.428 42.471 42.059 -0.026 0.000 1.086 479 L HN -0.035 nan 8.230 nan 0.000 0.482 480 I N -1.186 119.397 120.570 0.023 0.000 2.619 480 I HA 0.190 4.360 4.170 0.000 0.000 0.292 480 I C -1.503 174.673 176.117 0.097 0.000 1.100 480 I CA -0.747 60.570 61.300 0.028 0.000 1.043 480 I CB 2.901 40.891 38.000 -0.016 0.000 1.239 480 I HN -0.158 nan 8.210 nan 0.000 0.420 481 Y N 8.981 129.265 120.300 -0.027 0.000 2.504 481 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 481 Y C -2.576 173.269 175.900 -0.092 0.000 0.974 481 Y CA -2.919 55.178 58.100 -0.006 0.000 1.232 481 Y CB 0.890 39.407 38.460 0.096 0.000 1.108 481 Y HN 0.238 nan 8.280 nan 0.000 0.509 482 P HA 0.258 nan 4.420 nan 0.000 0.284 482 P C -1.579 175.127 177.300 -0.989 0.000 1.253 482 P CA -0.343 62.314 63.100 -0.738 0.000 0.800 482 P CB 1.082 32.294 31.700 -0.813 0.000 0.961 483 Q N 2.073 121.362 119.800 -0.851 0.000 2.347 483 Q HA 0.414 4.755 4.340 0.000 0.000 0.265 483 Q C -1.128 174.604 176.000 -0.447 0.000 1.024 483 Q CA -0.243 55.228 55.803 -0.553 0.000 0.731 483 Q CB 1.056 29.619 28.738 -0.291 0.000 1.245 483 Q HN 0.403 nan 8.270 nan 0.000 0.472 484 F N 1.699 121.634 119.950 -0.024 0.000 2.377 484 F HA 0.431 4.958 4.527 0.000 0.000 0.360 484 F C 0.594 176.551 175.800 0.261 0.000 1.147 484 F CA -0.808 57.275 58.000 0.137 0.000 1.170 484 F CB 0.864 39.950 39.000 0.144 0.000 1.339 484 F HN 0.490 nan 8.300 nan 0.000 0.552 485 A N 3.186 126.202 122.820 0.326 0.000 2.347 485 A HA 0.614 4.934 4.320 0.000 0.000 0.287 485 A C 0.170 177.823 177.584 0.115 0.000 1.199 485 A CA -0.040 52.098 52.037 0.168 0.000 0.851 485 A CB 0.551 19.591 19.000 0.067 0.000 1.118 485 A HN 0.627 nan 8.150 nan 0.000 0.525 486 T N 1.265 115.818 114.554 -0.002 0.000 2.977 486 T HA 0.404 4.754 4.350 0.000 0.000 0.345 486 T C -0.358 174.233 174.700 -0.182 0.000 1.562 486 T CA -0.482 61.504 62.100 -0.190 0.000 1.090 486 T CB 0.612 69.362 68.868 -0.197 0.000 1.383 486 T HN 0.707 nan 8.240 nan 0.000 0.484 487 H N 1.607 120.654 119.070 -0.038 0.000 2.594 487 H HA 0.369 4.925 4.556 0.000 0.000 0.279 487 H C 0.610 175.711 175.328 -0.378 0.000 1.042 487 H CA -0.525 55.482 56.048 -0.068 0.000 1.177 487 H CB 0.466 30.250 29.762 0.037 0.000 1.524 487 H HN 0.247 nan 8.280 nan 0.000 0.537 488 N N 1.351 119.761 118.700 -0.484 0.000 2.414 488 N HA 0.109 4.849 4.740 0.000 0.000 0.256 488 N C 0.943 175.865 175.510 -0.980 0.000 1.029 488 N CA 0.095 52.515 53.050 -1.050 0.000 0.948 488 N CB 1.358 39.505 38.487 -0.567 0.000 1.102 488 N HN 0.296 nan 8.380 nan 0.000 0.496 489 A N 3.942 125.948 122.820 -1.356 0.000 1.933 489 A HA -0.194 4.127 4.320 0.000 0.000 0.218 489 A C 1.981 179.344 177.584 -0.368 0.000 1.175 489 A CA 1.218 52.886 52.037 -0.616 0.000 0.628 489 A CB -0.779 18.052 19.000 -0.282 0.000 0.814 489 A HN 0.911 nan 8.150 nan 0.000 0.444 490 H N -0.035 118.831 119.070 -0.341 0.000 2.333 490 H HA -0.085 4.472 4.556 0.000 0.000 0.302 490 H C 1.983 177.201 175.328 -0.183 0.000 1.075 490 H CA 1.994 57.938 56.048 -0.174 0.000 1.348 490 H CB -0.225 29.493 29.762 -0.073 0.000 1.393 490 H HN 0.424 nan 8.280 nan 0.000 0.509 491 T N 2.213 116.640 114.554 -0.212 0.000 2.720 491 T HA -0.161 4.190 4.350 0.000 0.000 0.268 491 T C 2.283 176.847 174.700 -0.226 0.000 1.037 491 T CA 1.281 63.243 62.100 -0.231 0.000 1.144 491 T CB -0.509 68.148 68.868 -0.351 0.000 0.864 491 T HN 0.269 nan 8.240 nan 0.000 0.444 492 L N 0.618 121.674 121.223 -0.278 0.000 1.994 492 L HA -0.109 4.231 4.340 0.000 0.000 0.208 492 L C 2.780 179.553 176.870 -0.163 0.000 1.071 492 L CA 1.672 56.355 54.840 -0.262 0.000 0.745 492 L CB -0.583 41.137 42.059 -0.566 0.000 0.892 492 L HN 0.296 nan 8.230 nan 0.000 0.431 493 A N -0.366 122.297 122.820 -0.260 0.000 1.933 493 A HA -0.152 4.168 4.320 0.000 0.000 0.218 493 A C 2.403 179.912 177.584 -0.125 0.000 1.175 493 A CA 1.623 53.548 52.037 -0.188 0.000 0.628 493 A CB -0.870 17.988 19.000 -0.236 0.000 0.814 493 A HN 0.600 nan 8.150 nan 0.000 0.444 494 A N -0.301 122.344 122.820 -0.292 0.000 1.877 494 A HA -0.043 4.277 4.320 0.000 0.000 0.216 494 A C 1.966 179.457 177.584 -0.154 0.000 1.186 494 A CA 1.706 53.595 52.037 -0.247 0.000 0.620 494 A CB -0.532 18.264 19.000 -0.340 0.000 0.822 494 A HN 0.384 nan 8.150 nan 0.000 0.443 495 I N -1.701 118.767 120.570 -0.170 0.000 2.226 495 I HA -0.201 3.969 4.170 0.000 0.000 0.245 495 I C 2.268 178.237 176.117 -0.246 0.000 1.100 495 I CA 1.168 62.258 61.300 -0.350 0.000 1.374 495 I CB -0.893 36.778 38.000 -0.549 0.000 1.057 495 I HN 0.538 nan 8.210 nan 0.000 0.413 496 Y N 1.308 121.566 120.300 -0.070 0.000 2.151 496 Y HA -0.335 4.215 4.550 0.000 0.000 0.284 496 Y C 2.496 178.376 175.900 -0.032 0.000 1.166 496 Y CA 1.849 59.975 58.100 0.043 0.000 1.163 496 Y CB -0.055 38.477 38.460 0.120 0.000 0.974 496 Y HN 0.228 nan 8.280 nan 0.000 0.511 497 Q N -0.044 119.783 119.800 0.045 0.000 2.096 497 Q HA -0.083 4.257 4.340 0.000 0.000 0.197 497 Q C 2.450 178.390 176.000 -0.099 0.000 0.964 497 Q CA 1.332 57.119 55.803 -0.027 0.000 0.838 497 Q CB -0.476 28.283 28.738 0.035 0.000 0.906 497 Q HN 0.551 nan 8.270 nan 0.000 0.444 498 L N 0.529 121.675 121.223 -0.129 0.000 2.191 498 L HA -0.113 4.227 4.340 0.000 0.000 0.212 498 L C 2.260 179.033 176.870 -0.163 0.000 1.103 498 L CA 0.880 55.635 54.840 -0.142 0.000 0.769 498 L CB -0.512 41.439 42.059 -0.179 0.000 0.908 498 L HN 0.111 nan 8.230 nan 0.000 0.438 499 A N -0.285 122.396 122.820 -0.232 0.000 2.119 499 A HA 0.286 4.606 4.320 0.000 0.000 0.217 499 A C 1.378 178.920 177.584 -0.070 0.000 1.153 499 A CA 0.923 52.849 52.037 -0.185 0.000 0.692 499 A CB -0.514 18.321 19.000 -0.276 0.000 0.799 499 A HN 0.497 nan 8.150 nan 0.000 0.458 500 G N -1.252 107.491 108.800 -0.095 0.000 2.725 500 G HA2 -0.159 3.801 3.960 0.000 0.000 0.220 500 G HA3 -0.159 3.801 3.960 0.000 0.000 0.220 500 G C -0.476 174.400 174.900 -0.040 0.000 1.357 500 G CA -0.198 44.871 45.100 -0.052 0.000 0.866 500 G HN 0.665 nan 8.290 nan 0.000 0.548 501 Q N 0.250 120.046 119.800 -0.006 0.000 2.368 501 Q HA 0.512 4.852 4.340 0.000 0.000 0.237 501 Q C 0.659 176.691 176.000 0.054 0.000 0.987 501 Q CA 0.245 56.056 55.803 0.013 0.000 0.896 501 Q CB 0.323 29.071 28.738 0.018 0.000 1.241 501 Q HN 0.839 nan 8.270 nan 0.000 0.485 502 N N -0.409 118.335 118.700 0.074 0.000 2.771 502 N HA -0.246 4.494 4.740 0.000 0.000 0.249 502 N C -1.356 174.251 175.510 0.162 0.000 1.069 502 N CA 0.016 53.131 53.050 0.109 0.000 0.688 502 N CB -1.561 36.979 38.487 0.090 0.000 0.928 502 N HN 0.508 nan 8.380 nan 0.000 0.551 503 Y N 2.126 122.434 120.300 0.014 0.000 2.702 503 Y HA 0.222 4.772 4.550 0.000 0.000 0.336 503 Y C 0.242 176.157 175.900 0.024 0.000 1.235 503 Y CA 0.080 58.145 58.100 -0.058 0.000 1.492 503 Y CB 0.337 38.733 38.460 -0.108 0.000 1.308 503 Y HN 0.234 nan 8.280 nan 0.000 0.589 504 Y N 4.447 124.170 120.300 -0.962 0.000 2.512 504 Y HA 0.501 5.051 4.550 0.000 0.000 0.348 504 Y C -2.462 172.728 175.900 -1.183 0.000 0.990 504 Y CA -3.239 54.397 58.100 -0.775 0.000 1.033 504 Y CB 1.148 39.377 38.460 -0.385 0.000 1.259 504 Y HN 0.333 nan 8.280 nan 0.000 0.461 505 P HA -0.165 nan 4.420 nan 0.000 0.217 505 P C 1.425 178.517 177.300 -0.346 0.000 1.158 505 P CA 2.840 65.738 63.100 -0.337 0.000 0.887 505 P CB -0.002 31.634 31.700 -0.106 0.000 0.792 506 G N -0.848 107.758 108.800 -0.324 0.000 3.061 506 G HA2 -0.154 3.806 3.960 0.000 0.000 0.208 506 G HA3 -0.154 3.806 3.960 0.000 0.000 0.208 506 G C 1.409 176.211 174.900 -0.164 0.000 1.175 506 G CA -0.085 44.791 45.100 -0.373 0.000 0.812 506 G HN 0.311 nan 8.290 nan 0.000 0.523 507 Q N -0.431 118.966 119.800 -0.671 0.000 2.049 507 Q HA 0.078 4.418 4.340 0.000 0.000 0.198 507 Q C 0.446 176.429 176.000 -0.029 0.000 0.971 507 Q CA 0.847 56.246 55.803 -0.672 0.000 0.833 507 Q CB 0.048 28.069 28.738 -1.195 0.000 0.896 507 Q HN 0.618 nan 8.270 nan 0.000 0.434 508 Y N -2.108 118.123 120.300 -0.114 0.000 2.779 508 Y HA 0.409 4.959 4.550 0.000 0.000 0.340 508 Y C -1.910 173.880 175.900 -0.184 0.000 1.252 508 Y CA -1.263 56.642 58.100 -0.324 0.000 1.072 508 Y CB 0.559 38.915 38.460 -0.174 0.000 1.343 508 Y HN 0.106 nan 8.280 nan 0.000 0.450 509 E N 1.062 121.123 120.200 -0.231 0.000 2.429 509 E HA 0.607 4.957 4.350 0.000 0.000 0.276 509 E C -1.927 174.634 176.600 -0.066 0.000 0.953 509 E CA -0.969 55.340 56.400 -0.152 0.000 0.787 509 E CB 2.685 32.388 29.700 0.004 0.000 1.307 509 E HN 0.484 nan 8.360 nan 0.000 0.458 510 F N 0.306 120.356 119.950 0.167 0.000 2.380 510 F HA 0.407 4.934 4.527 0.000 0.000 0.319 510 F C 0.660 176.409 175.800 -0.085 0.000 1.113 510 F CA -0.386 57.696 58.000 0.138 0.000 1.056 510 F CB 1.580 40.693 39.000 0.187 0.000 1.289 510 F HN 0.309 nan 8.300 nan 0.000 0.515 511 Q N 0.609 120.468 119.800 0.099 0.000 2.416 511 Q HA 0.611 4.951 4.340 0.000 0.000 0.281 511 Q C -1.523 174.410 176.000 -0.112 0.000 1.067 511 Q CA -0.956 54.810 55.803 -0.061 0.000 0.809 511 Q CB 2.866 31.602 28.738 -0.002 0.000 1.418 511 Q HN 0.881 nan 8.270 nan 0.000 0.411 512 C N -1.083 118.172 119.300 -0.075 0.000 3.291 512 C HA 0.741 5.202 4.460 0.000 0.000 0.316 512 C C -1.047 174.090 174.990 0.245 0.000 1.391 512 C CA -1.023 58.084 59.018 0.149 0.000 1.394 512 C CB 0.349 28.243 27.740 0.257 0.000 1.744 512 C HN 0.848 nan 8.230 nan 0.000 0.461 513 L N 1.731 123.271 121.223 0.529 0.000 2.312 513 L HA 0.376 4.717 4.340 0.000 0.000 0.281 513 L C 0.462 177.483 176.870 0.252 0.000 1.070 513 L CA -0.230 54.814 54.840 0.339 0.000 0.805 513 L CB 0.599 42.872 42.059 0.356 0.000 1.174 513 L HN 0.898 nan 8.230 nan 0.000 0.434 514 H N 2.159 121.329 119.070 0.168 0.000 3.094 514 H HA 0.170 4.726 4.556 0.000 0.000 0.320 514 H C 1.045 176.489 175.328 0.194 0.000 1.000 514 H CA 1.093 57.225 56.048 0.141 0.000 1.413 514 H CB 0.597 30.453 29.762 0.157 0.000 1.405 514 H HN 0.760 nan 8.280 nan 0.000 0.586 515 G N 3.353 111.818 108.800 -0.559 0.000 2.176 515 G HA2 -0.286 3.674 3.960 0.000 0.000 0.253 515 G HA3 -0.286 3.674 3.960 0.000 0.000 0.253 515 G C 0.742 175.553 174.900 -0.149 0.000 0.979 515 G CA 0.621 45.454 45.100 -0.445 0.000 0.641 515 G HN 0.610 nan 8.290 nan 0.000 0.530 516 M N -1.285 118.244 119.600 -0.119 0.000 2.429 516 M HA 0.281 4.761 4.480 0.000 0.000 0.230 516 M C 2.326 178.451 176.300 -0.291 0.000 1.469 516 M CA 1.222 56.377 55.300 -0.243 0.000 1.097 516 M CB 0.500 32.814 32.600 -0.477 0.000 1.490 516 M HN 0.201 nan 8.290 nan 0.000 0.556 517 G N -0.040 108.668 108.800 -0.154 0.000 2.796 517 G HA2 -0.009 3.952 3.960 0.000 0.000 0.210 517 G HA3 -0.009 3.952 3.960 0.000 0.000 0.210 517 G C 1.014 176.056 174.900 0.237 0.000 1.146 517 G CA 0.176 45.375 45.100 0.165 0.000 0.779 517 G HN 0.296 nan 8.290 nan 0.000 0.535 518 E N 1.180 121.423 120.200 0.071 0.000 2.085 518 E HA -0.093 4.258 4.350 0.000 0.000 0.194 518 E C -0.126 176.520 176.600 0.078 0.000 0.994 518 E CA 1.595 58.011 56.400 0.026 0.000 0.801 518 E CB -0.654 28.976 29.700 -0.116 0.000 0.743 518 E HN 0.349 nan 8.360 nan 0.000 0.453 519 P HA -0.157 nan 4.420 nan 0.000 0.215 519 P C 1.454 178.760 177.300 0.010 0.000 1.157 519 P CA 0.779 63.886 63.100 0.012 0.000 0.863 519 P CB 0.045 31.733 31.700 -0.019 0.000 0.787 520 L N -1.513 119.699 121.223 -0.019 0.000 2.046 520 L HA -0.147 4.193 4.340 0.000 0.000 0.208 520 L C 2.060 178.798 176.870 -0.220 0.000 1.077 520 L CA 1.905 56.648 54.840 -0.162 0.000 0.747 520 L CB -1.523 40.369 42.059 -0.278 0.000 0.896 520 L HN -0.047 nan 8.230 nan 0.000 0.432 521 Y N -0.437 119.902 120.300 0.064 0.000 2.561 521 Y HA -0.017 4.533 4.550 0.000 0.000 0.291 521 Y C 2.332 178.366 175.900 0.222 0.000 1.141 521 Y CA 0.431 58.605 58.100 0.123 0.000 1.303 521 Y CB -0.106 38.518 38.460 0.273 0.000 1.015 521 Y HN 0.235 nan 8.280 nan 0.000 0.547 522 E N 0.393 120.785 120.200 0.321 0.000 2.265 522 E HA -0.210 4.140 4.350 0.000 0.000 0.196 522 E C 1.358 178.020 176.600 0.104 0.000 0.996 522 E CA 1.051 57.602 56.400 0.252 0.000 0.832 522 E CB -0.080 29.709 29.700 0.149 0.000 0.756 522 E HN 0.673 nan 8.360 nan 0.000 0.491 523 Q N -0.408 119.403 119.800 0.017 0.000 2.425 523 Q HA 0.035 4.376 4.340 0.000 0.000 0.204 523 Q C 1.760 177.713 176.000 -0.078 0.000 0.933 523 Q CA 0.239 56.012 55.803 -0.051 0.000 0.939 523 Q CB 0.762 29.432 28.738 -0.113 0.000 1.044 523 Q HN 0.077 nan 8.270 nan 0.000 0.513 524 V N -0.709 119.175 119.914 -0.050 0.000 2.854 524 V HA 0.029 4.149 4.120 0.000 0.000 0.236 524 V C 0.825 176.893 176.094 -0.043 0.000 1.157 524 V CA 0.741 63.003 62.300 -0.062 0.000 1.187 524 V CB 0.957 32.755 31.823 -0.042 0.000 0.949 524 V HN 0.076 nan 8.190 nan 0.000 0.488 525 T N 1.560 116.052 114.554 -0.104 0.000 2.780 525 T HA 0.617 4.968 4.350 0.000 0.000 0.294 525 T C 0.179 174.780 174.700 -0.165 0.000 0.949 525 T CA 0.704 62.641 62.100 -0.272 0.000 1.074 525 T CB 0.704 69.062 68.868 -0.850 0.000 0.910 525 T HN 0.835 nan 8.240 nan 0.000 0.501 526 G N 2.546 111.287 108.800 -0.099 0.000 2.361 526 G HA2 0.099 4.059 3.960 0.000 0.000 0.331 526 G HA3 0.099 4.059 3.960 0.000 0.000 0.331 526 G C -1.468 173.425 174.900 -0.012 0.000 1.324 526 G CA -1.192 43.890 45.100 -0.031 0.000 0.984 526 G HN 0.623 nan 8.290 nan 0.000 0.586 527 K N -0.181 120.223 120.400 0.007 0.000 2.326 527 K HA 0.400 4.721 4.320 0.000 0.000 0.275 527 K C 1.460 178.066 176.600 0.011 0.000 1.018 527 K CA -0.350 55.945 56.287 0.013 0.000 0.962 527 K CB 1.896 34.408 32.500 0.020 0.000 0.953 527 K HN 0.260 nan 8.250 nan 0.000 0.475 528 V N 2.324 122.248 119.914 0.016 0.000 2.490 528 V HA -0.253 3.868 4.120 0.000 0.000 0.250 528 V C 2.018 178.120 176.094 0.014 0.000 1.061 528 V CA 2.308 64.618 62.300 0.016 0.000 1.064 528 V CB -0.600 31.240 31.823 0.028 0.000 0.670 528 V HN 0.950 nan 8.190 nan 0.000 0.461 529 A N -0.477 122.353 122.820 0.017 0.000 2.067 529 A HA -0.173 4.147 4.320 0.000 0.000 0.219 529 A C 1.708 179.300 177.584 0.013 0.000 1.158 529 A CA 1.615 53.661 52.037 0.016 0.000 0.661 529 A CB -0.331 18.679 19.000 0.018 0.000 0.801 529 A HN 0.536 nan 8.150 nan 0.000 0.452 530 D N -1.195 119.213 120.400 0.013 0.000 2.328 530 D HA 0.291 4.931 4.640 0.000 0.000 0.221 530 D C 1.236 177.539 176.300 0.006 0.000 1.072 530 D CA 0.946 54.954 54.000 0.013 0.000 0.850 530 D CB 0.122 40.934 40.800 0.019 0.000 0.922 530 D HN 0.539 nan 8.370 nan 0.000 0.516 531 G N 1.031 109.832 108.800 0.001 0.000 2.136 531 G HA2 -0.251 3.709 3.960 0.000 0.000 0.242 531 G HA3 -0.251 3.709 3.960 0.000 0.000 0.242 531 G C 0.374 175.260 174.900 -0.022 0.000 0.989 531 G CA -0.051 45.043 45.100 -0.009 0.000 0.682 531 G HN 0.138 nan 8.290 nan 0.000 0.522 532 K N -0.349 120.040 120.400 -0.018 0.000 2.132 532 K HA 0.655 4.975 4.320 0.000 0.000 0.241 532 K C 1.520 178.097 176.600 -0.039 0.000 1.000 532 K CA -0.977 55.290 56.287 -0.034 0.000 0.911 532 K CB 0.740 33.227 32.500 -0.023 0.000 1.093 532 K HN 0.076 nan 8.250 nan 0.000 0.460 533 L N 0.406 121.591 121.223 -0.063 0.000 2.492 533 L HA 0.032 4.373 4.340 0.000 0.000 0.223 533 L C 0.641 177.518 176.870 0.011 0.000 1.132 533 L CA 0.291 55.105 54.840 -0.044 0.000 0.850 533 L CB -0.460 41.518 42.059 -0.134 0.000 0.966 533 L HN 0.815 nan 8.230 nan 0.000 0.454 534 N N 1.338 120.027 118.700 -0.019 0.000 2.756 534 N HA -0.162 4.578 4.740 0.000 0.000 0.248 534 N C -0.707 174.743 175.510 -0.099 0.000 1.062 534 N CA -0.047 52.985 53.050 -0.031 0.000 0.696 534 N CB -0.088 38.401 38.487 0.004 0.000 0.946 534 N HN 0.196 nan 8.380 nan 0.000 0.548 535 R N 0.454 120.902 120.500 -0.086 0.000 2.621 535 R HA 0.521 4.861 4.340 0.000 0.000 0.292 535 R C -2.555 173.720 176.300 -0.043 0.000 0.969 535 R CA -1.679 54.327 56.100 -0.158 0.000 0.887 535 R CB 1.411 31.741 30.300 0.050 0.000 1.180 535 R HN 0.113 nan 8.270 nan 0.000 0.450 536 P HA 0.180 nan 4.420 nan 0.000 0.275 536 P C -0.405 176.886 177.300 -0.015 0.000 1.228 536 P CA -0.468 62.595 63.100 -0.061 0.000 0.786 536 P CB 0.802 32.501 31.700 -0.002 0.000 0.927 537 C N 4.176 123.397 119.300 -0.131 0.000 2.482 537 C HA 0.572 5.032 4.460 0.000 0.000 0.317 537 C C -0.261 174.696 174.990 -0.055 0.000 1.197 537 C CA -0.634 58.312 59.018 -0.121 0.000 1.432 537 C CB 0.539 28.103 27.740 -0.293 0.000 2.062 537 C HN 0.644 nan 8.230 nan 0.000 0.471 538 R N 5.415 125.879 120.500 -0.059 0.000 2.295 538 R HA 0.656 4.996 4.340 0.000 0.000 0.324 538 R C -0.897 175.322 176.300 -0.135 0.000 0.968 538 R CA -0.470 55.586 56.100 -0.073 0.000 0.837 538 R CB 0.639 30.925 30.300 -0.023 0.000 1.133 538 R HN 0.816 nan 8.270 nan 0.000 0.450 539 I N 2.725 123.124 120.570 -0.285 0.000 2.371 539 I HA 0.072 4.243 4.170 0.000 0.000 0.290 539 I C 0.492 176.508 176.117 -0.168 0.000 1.028 539 I CA -0.136 60.998 61.300 -0.277 0.000 1.345 539 I CB 1.750 39.419 38.000 -0.551 0.000 1.407 539 I HN 0.517 nan 8.210 nan 0.000 0.501 540 S N 5.520 121.211 115.700 -0.014 0.000 2.474 540 S HA 0.582 5.053 4.470 0.000 0.000 0.276 540 S C -0.091 174.566 174.600 0.094 0.000 1.227 540 S CA -0.623 57.598 58.200 0.036 0.000 1.050 540 S CB 0.384 63.641 63.200 0.094 0.000 0.939 540 S HN 0.679 nan 8.310 nan 0.000 0.490 541 A N 7.310 130.154 122.820 0.040 0.000 2.328 541 A HA 0.643 4.963 4.320 0.000 0.000 0.318 541 A C -2.857 174.758 177.584 0.052 0.000 1.347 541 A CA -1.796 50.280 52.037 0.065 0.000 0.842 541 A CB 0.611 19.632 19.000 0.035 0.000 1.148 541 A HN 0.613 nan 8.150 nan 0.000 0.499 542 P HA 0.283 nan 4.420 nan 0.000 0.271 542 P C -0.604 176.667 177.300 -0.048 0.000 1.216 542 P CA 0.090 63.111 63.100 -0.130 0.000 0.771 542 P CB 1.177 32.659 31.700 -0.363 0.000 0.864 543 V N 3.560 123.448 119.914 -0.043 0.000 2.483 543 V HA 0.890 5.010 4.120 0.000 0.000 0.297 543 V C 0.474 176.532 176.094 -0.060 0.000 1.027 543 V CA -0.101 62.183 62.300 -0.027 0.000 0.855 543 V CB 1.255 33.079 31.823 0.002 0.000 0.995 543 V HN 0.897 nan 8.190 nan 0.000 0.424 544 G N 2.734 111.505 108.800 -0.048 0.000 2.328 544 G HA2 0.494 4.454 3.960 0.000 0.000 0.299 544 G HA3 0.494 4.454 3.960 0.000 0.000 0.299 544 G C -0.619 174.263 174.900 -0.030 0.000 1.435 544 G CA -0.011 45.060 45.100 -0.048 0.000 0.865 544 G HN 0.831 nan 8.290 nan 0.000 0.601 545 T N -2.558 111.966 114.554 -0.050 0.000 2.849 545 T HA 0.472 4.822 4.350 0.000 0.000 0.276 545 T C 1.650 176.311 174.700 -0.065 0.000 0.971 545 T CA 0.709 62.771 62.100 -0.063 0.000 0.949 545 T CB 0.953 69.726 68.868 -0.159 0.000 1.093 545 T HN 1.281 nan 8.240 nan 0.000 0.545 546 H N -0.709 118.381 119.070 0.034 0.000 2.460 546 H HA -0.020 4.536 4.556 0.000 0.000 0.297 546 H C 1.549 176.908 175.328 0.051 0.000 1.103 546 H CA 1.810 57.886 56.048 0.045 0.000 1.292 546 H CB -0.617 29.169 29.762 0.040 0.000 1.376 546 H HN 0.764 nan 8.280 nan 0.000 0.531 547 E N 0.259 120.210 120.200 -0.415 0.000 2.409 547 E HA -0.076 4.274 4.350 0.000 0.000 0.198 547 E C 1.084 177.673 176.600 -0.018 0.000 1.024 547 E CA 1.334 57.625 56.400 -0.182 0.000 0.861 547 E CB 0.144 29.686 29.700 -0.264 0.000 0.788 547 E HN 0.837 nan 8.360 nan 0.000 0.521 548 T N -2.243 112.309 114.554 -0.003 0.000 3.040 548 T HA 0.133 4.484 4.350 0.000 0.000 0.266 548 T C 1.297 176.030 174.700 0.056 0.000 1.005 548 T CA -0.357 61.770 62.100 0.045 0.000 0.906 548 T CB 0.205 69.090 68.868 0.028 0.000 1.082 548 T HN -0.002 nan 8.240 nan 0.000 0.531 549 L N 0.568 121.839 121.223 0.080 0.000 2.416 549 L HA 0.470 4.810 4.340 0.000 0.000 0.216 549 L C 1.824 178.788 176.870 0.158 0.000 1.098 549 L CA 0.656 55.567 54.840 0.119 0.000 0.840 549 L CB -0.624 41.517 42.059 0.136 0.000 0.981 549 L HN 0.251 nan 8.230 nan 0.000 0.462 550 L N 0.756 122.059 121.223 0.134 0.000 1.963 550 L HA -0.213 4.127 4.340 0.000 0.000 0.220 550 L C 2.529 179.470 176.870 0.118 0.000 1.076 550 L CA 2.520 57.433 54.840 0.123 0.000 0.772 550 L CB -1.279 40.844 42.059 0.106 0.000 0.892 550 L HN 0.286 nan 8.230 nan 0.000 0.435 551 A N -1.931 120.962 122.820 0.122 0.000 1.902 551 A HA -0.285 4.035 4.320 0.000 0.000 0.217 551 A C 2.321 179.956 177.584 0.086 0.000 1.181 551 A CA 1.818 53.919 52.037 0.106 0.000 0.623 551 A CB -1.251 17.827 19.000 0.131 0.000 0.818 551 A HN 0.683 nan 8.150 nan 0.000 0.443 552 Y N 0.110 120.412 120.300 0.003 0.000 2.145 552 Y HA -0.193 4.357 4.550 0.000 0.000 0.286 552 Y C 2.154 178.006 175.900 -0.080 0.000 1.145 552 Y CA 1.828 59.905 58.100 -0.039 0.000 1.148 552 Y CB -0.110 38.346 38.460 -0.006 0.000 0.981 552 Y HN 0.262 nan 8.280 nan 0.000 0.507 553 L N -0.407 120.892 121.223 0.125 0.000 2.012 553 L HA -0.182 4.158 4.340 0.000 0.000 0.210 553 L C 2.198 179.023 176.870 -0.075 0.000 1.073 553 L CA 1.913 56.778 54.840 0.041 0.000 0.748 553 L CB -1.107 41.047 42.059 0.158 0.000 0.891 553 L HN 0.263 nan 8.230 nan 0.000 0.431 554 V N 0.723 120.618 119.914 -0.032 0.000 2.332 554 V HA -0.296 3.824 4.120 0.000 0.000 0.248 554 V C 2.801 178.825 176.094 -0.117 0.000 1.055 554 V CA 1.986 64.261 62.300 -0.042 0.000 1.038 554 V CB -0.702 31.122 31.823 0.002 0.000 0.651 554 V HN 0.483 nan 8.190 nan 0.000 0.450 555 R N -0.338 120.044 120.500 -0.197 0.000 2.105 555 R HA -0.126 4.214 4.340 0.000 0.000 0.239 555 R C 2.520 178.619 176.300 -0.336 0.000 1.135 555 R CA 1.147 57.080 56.100 -0.279 0.000 0.967 555 R CB -0.352 29.702 30.300 -0.411 0.000 0.861 555 R HN 0.420 nan 8.270 nan 0.000 0.442 556 R N 0.800 121.010 120.500 -0.484 0.000 2.092 556 R HA -0.045 4.296 4.340 0.000 0.000 0.231 556 R C 2.324 178.432 176.300 -0.320 0.000 1.119 556 R CA 0.961 56.705 56.100 -0.594 0.000 0.970 556 R CB -0.625 28.951 30.300 -1.207 0.000 0.864 556 R HN 0.305 nan 8.270 nan 0.000 0.440 557 L N 0.486 121.600 121.223 -0.183 0.000 2.046 557 L HA -0.148 4.192 4.340 0.000 0.000 0.208 557 L C 2.473 179.318 176.870 -0.042 0.000 1.077 557 L CA 1.161 55.970 54.840 -0.052 0.000 0.747 557 L CB -0.510 41.546 42.059 -0.006 0.000 0.896 557 L HN 0.115 nan 8.230 nan 0.000 0.432 558 L N -0.470 120.720 121.223 -0.055 0.000 2.056 558 L HA -0.206 4.134 4.340 0.000 0.000 0.207 558 L C 2.618 179.477 176.870 -0.019 0.000 1.078 558 L CA 1.185 56.017 54.840 -0.013 0.000 0.749 558 L CB -0.427 41.638 42.059 0.010 0.000 0.901 558 L HN 0.320 nan 8.230 nan 0.000 0.433 559 E N 0.356 120.518 120.200 -0.064 0.000 2.031 559 E HA -0.219 4.131 4.350 0.000 0.000 0.193 559 E C 1.911 178.496 176.600 -0.026 0.000 0.994 559 E CA 1.210 57.578 56.400 -0.053 0.000 0.800 559 E CB 0.093 29.735 29.700 -0.096 0.000 0.752 559 E HN 0.459 nan 8.360 nan 0.000 0.447 560 N N -0.497 118.185 118.700 -0.029 0.000 2.331 560 N HA -0.076 4.664 4.740 0.000 0.000 0.180 560 N C 1.623 177.136 175.510 0.006 0.000 1.019 560 N CA 1.089 54.144 53.050 0.009 0.000 0.881 560 N CB 0.110 38.630 38.487 0.056 0.000 0.972 560 N HN 0.209 nan 8.380 nan 0.000 0.435 561 G N -0.046 108.754 108.800 0.001 0.000 2.838 561 G HA2 0.255 4.215 3.960 0.000 0.000 0.210 561 G HA3 0.255 4.215 3.960 0.000 0.000 0.210 561 G C 0.403 175.300 174.900 -0.004 0.000 1.153 561 G CA 0.033 45.135 45.100 0.003 0.000 0.778 561 G HN 0.289 nan 8.290 nan 0.000 0.539 562 A N 1.594 124.408 122.820 -0.009 0.000 2.450 562 A HA 0.283 4.603 4.320 0.000 0.000 0.255 562 A C 1.602 179.165 177.584 -0.034 0.000 1.096 562 A CA 0.061 52.087 52.037 -0.019 0.000 0.778 562 A CB 0.241 19.220 19.000 -0.036 0.000 1.031 562 A HN 0.390 nan 8.150 nan 0.000 0.494 563 N N 2.239 120.919 118.700 -0.033 0.000 2.453 563 N HA -0.172 4.568 4.740 0.000 0.000 0.183 563 N C 0.996 176.471 175.510 -0.058 0.000 1.041 563 N CA 1.896 54.920 53.050 -0.042 0.000 0.900 563 N CB -0.418 38.050 38.487 -0.030 0.000 0.961 563 N HN 0.648 nan 8.380 nan 0.000 0.443 564 T N -3.361 111.151 114.554 -0.071 0.000 3.081 564 T HA 0.144 4.495 4.350 0.000 0.000 0.255 564 T C 0.810 175.469 174.700 -0.069 0.000 1.113 564 T CA -0.303 61.744 62.100 -0.089 0.000 1.082 564 T CB -0.191 68.592 68.868 -0.141 0.000 0.939 564 T HN 0.006 nan 8.240 nan 0.000 0.506 565 S N 1.580 117.250 115.700 -0.050 0.000 2.548 565 S HA 0.359 4.829 4.470 0.000 0.000 0.277 565 S C 0.434 175.050 174.600 0.027 0.000 1.315 565 S CA -0.796 57.403 58.200 -0.002 0.000 1.050 565 S CB 0.464 63.667 63.200 0.005 0.000 0.918 565 S HN 0.388 nan 8.310 nan 0.000 0.497 566 F N 4.445 124.360 119.950 -0.058 0.000 2.120 566 F HA -0.214 4.313 4.527 0.000 0.000 0.300 566 F C 2.114 177.887 175.800 -0.045 0.000 1.095 566 F CA 2.110 60.077 58.000 -0.054 0.000 1.249 566 F CB -0.364 38.605 39.000 -0.052 0.000 0.995 566 F HN 0.489 nan 8.300 nan 0.000 0.480 567 V N -1.162 118.855 119.914 0.171 0.000 2.759 567 V HA -0.221 3.899 4.120 0.000 0.000 0.256 567 V C 2.105 178.159 176.094 -0.066 0.000 1.080 567 V CA 2.136 64.475 62.300 0.066 0.000 1.101 567 V CB -1.114 30.774 31.823 0.107 0.000 0.698 567 V HN 0.585 nan 8.190 nan 0.000 0.477 568 N N 1.208 119.864 118.700 -0.073 0.000 2.220 568 N HA -0.079 4.661 4.740 0.000 0.000 0.182 568 N C 2.094 177.517 175.510 -0.145 0.000 1.023 568 N CA 1.348 54.347 53.050 -0.086 0.000 0.856 568 N CB -0.008 38.445 38.487 -0.057 0.000 0.997 568 N HN 0.516 nan 8.380 nan 0.000 0.429 569 R N 0.678 121.058 120.500 -0.200 0.000 2.115 569 R HA -0.006 4.334 4.340 0.000 0.000 0.230 569 R C 2.259 178.363 176.300 -0.325 0.000 1.111 569 R CA 0.595 56.551 56.100 -0.239 0.000 0.976 569 R CB -0.394 29.765 30.300 -0.236 0.000 0.870 569 R HN 0.308 nan 8.270 nan 0.000 0.445 570 I N 1.042 121.313 120.570 -0.498 0.000 2.614 570 I HA -0.162 4.008 4.170 0.000 0.000 0.258 570 I C 1.953 177.911 176.117 -0.265 0.000 1.189 570 I CA 0.743 61.753 61.300 -0.485 0.000 1.462 570 I CB -0.012 37.592 38.000 -0.660 0.000 1.092 570 I HN 0.115 nan 8.210 nan 0.000 0.442 571 A N -0.570 122.128 122.820 -0.203 0.000 2.167 571 A HA -0.114 4.206 4.320 0.000 0.000 0.214 571 A C 0.932 178.448 177.584 -0.114 0.000 1.151 571 A CA 0.479 52.437 52.037 -0.133 0.000 0.735 571 A CB -0.353 18.587 19.000 -0.101 0.000 0.802 571 A HN 0.435 nan 8.150 nan 0.000 0.467 572 D N 0.605 120.927 120.400 -0.129 0.000 2.422 572 D HA 0.167 4.807 4.640 0.000 0.000 0.227 572 D C 1.423 177.662 176.300 -0.101 0.000 1.190 572 D CA 0.629 54.568 54.000 -0.102 0.000 0.905 572 D CB 0.803 41.543 40.800 -0.100 0.000 1.034 572 D HN 0.258 nan 8.370 nan 0.000 0.507 573 T N -0.200 114.304 114.554 -0.083 0.000 3.051 573 T HA -0.156 4.194 4.350 0.000 0.000 0.269 573 T C 1.712 176.374 174.700 -0.063 0.000 1.127 573 T CA 1.047 63.101 62.100 -0.076 0.000 1.107 573 T CB 0.003 68.834 68.868 -0.061 0.000 0.898 573 T HN 0.210 nan 8.240 nan 0.000 0.517 574 S N 0.186 115.850 115.700 -0.059 0.000 2.436 574 S HA 0.145 4.615 4.470 0.000 0.000 0.228 574 S C 0.696 175.266 174.600 -0.050 0.000 1.014 574 S CA -0.486 57.685 58.200 -0.048 0.000 0.950 574 S CB -0.519 62.656 63.200 -0.042 0.000 0.784 574 S HN 0.520 nan 8.310 nan 0.000 0.504 575 L N 3.475 124.657 121.223 -0.067 0.000 2.278 575 L HA 0.496 4.836 4.340 0.000 0.000 0.287 575 L C -2.632 174.198 176.870 -0.067 0.000 1.072 575 L CA -2.045 52.754 54.840 -0.068 0.000 0.819 575 L CB 0.533 42.537 42.059 -0.092 0.000 1.176 575 L HN -0.013 nan 8.230 nan 0.000 0.435 576 P HA 0.060 nan 4.420 nan 0.000 0.269 576 P C 0.870 178.157 177.300 -0.022 0.000 1.209 576 P CA -0.101 62.990 63.100 -0.015 0.000 0.776 576 P CB 0.665 32.374 31.700 0.016 0.000 0.876 577 L N 1.234 122.439 121.223 -0.030 0.000 2.042 577 L HA -0.218 4.123 4.340 0.000 0.000 0.210 577 L C 1.709 178.612 176.870 0.055 0.000 1.076 577 L CA 1.658 56.442 54.840 -0.095 0.000 0.749 577 L CB -0.625 41.211 42.059 -0.372 0.000 0.893 577 L HN 0.390 nan 8.230 nan 0.000 0.432 578 D N -0.048 120.474 120.400 0.203 0.000 2.149 578 D HA -0.189 4.451 4.640 0.000 0.000 0.198 578 D C 2.127 178.516 176.300 0.148 0.000 0.990 578 D CA 1.205 55.368 54.000 0.272 0.000 0.839 578 D CB -0.028 40.920 40.800 0.248 0.000 0.948 578 D HN 0.451 nan 8.370 nan 0.000 0.460 579 E N -0.089 120.152 120.200 0.069 0.000 2.107 579 E HA -0.114 4.236 4.350 0.000 0.000 0.191 579 E C 2.094 178.698 176.600 0.006 0.000 0.982 579 E CA 0.108 56.521 56.400 0.022 0.000 0.809 579 E CB -0.035 29.661 29.700 -0.006 0.000 0.756 579 E HN 0.116 nan 8.360 nan 0.000 0.459 580 L N 1.158 122.376 121.223 -0.009 0.000 2.042 580 L HA -0.127 4.213 4.340 0.000 0.000 0.210 580 L C 2.012 178.933 176.870 0.084 0.000 1.076 580 L CA 1.492 56.315 54.840 -0.028 0.000 0.749 580 L CB -0.138 41.847 42.059 -0.123 0.000 0.893 580 L HN 0.107 nan 8.230 nan 0.000 0.432 581 V N -2.358 117.622 119.914 0.111 0.000 3.249 581 V HA 0.545 4.665 4.120 0.000 0.000 0.338 581 V C 0.977 177.109 176.094 0.064 0.000 1.363 581 V CA -0.312 62.081 62.300 0.155 0.000 1.205 581 V CB -1.505 30.422 31.823 0.173 0.000 1.164 581 V HN 0.353 nan 8.190 nan 0.000 0.458 582 A N 1.141 123.961 122.820 0.000 0.000 2.540 582 A HA 0.239 4.559 4.320 0.000 0.000 0.239 582 A C 0.301 177.728 177.584 -0.262 0.000 1.061 582 A CA 0.371 52.374 52.037 -0.055 0.000 0.758 582 A CB -0.156 18.818 19.000 -0.042 0.000 0.991 582 A HN 0.707 nan 8.150 nan 0.000 0.502 583 D N 2.575 122.851 120.400 -0.208 0.000 2.450 583 D HA 0.226 4.867 4.640 0.000 0.000 0.247 583 D C -1.554 174.637 176.300 -0.182 0.000 1.162 583 D CA -1.049 52.793 54.000 -0.263 0.000 0.879 583 D CB 0.854 41.631 40.800 -0.037 0.000 1.163 583 D HN 0.176 nan 8.370 nan 0.000 0.472 584 P HA -0.108 nan 4.420 nan 0.000 0.217 584 P C 1.441 178.731 177.300 -0.017 0.000 1.151 584 P CA 0.282 63.333 63.100 -0.081 0.000 0.828 584 P CB 0.238 31.911 31.700 -0.046 0.000 0.788 585 V N -0.196 119.719 119.914 0.002 0.000 2.295 585 V HA -0.237 3.883 4.120 0.000 0.000 0.246 585 V C 2.303 178.402 176.094 0.009 0.000 1.049 585 V CA 2.573 64.883 62.300 0.017 0.000 1.024 585 V CB -1.818 30.020 31.823 0.025 0.000 0.648 585 V HN 0.183 nan 8.190 nan 0.000 0.447 586 T N 0.344 114.896 114.554 -0.005 0.000 2.788 586 T HA -0.141 4.209 4.350 0.000 0.000 0.268 586 T C 2.046 176.740 174.700 -0.011 0.000 1.044 586 T CA 1.497 63.592 62.100 -0.010 0.000 1.139 586 T CB -0.410 68.446 68.868 -0.020 0.000 0.867 586 T HN 0.569 nan 8.240 nan 0.000 0.454 587 A N 0.941 123.749 122.820 -0.021 0.000 1.902 587 A HA -0.046 4.274 4.320 0.000 0.000 0.217 587 A C 2.568 180.157 177.584 0.008 0.000 1.181 587 A CA 1.279 53.303 52.037 -0.022 0.000 0.623 587 A CB -0.963 18.010 19.000 -0.045 0.000 0.818 587 A HN 0.363 nan 8.150 nan 0.000 0.443 588 V N 0.141 120.078 119.914 0.039 0.000 2.427 588 V HA -0.236 3.884 4.120 0.000 0.000 0.248 588 V C 2.358 178.491 176.094 0.066 0.000 1.051 588 V CA 2.172 64.532 62.300 0.100 0.000 1.048 588 V CB -0.758 31.145 31.823 0.133 0.000 0.666 588 V HN 0.638 nan 8.190 nan 0.000 0.456 589 E N -0.087 120.133 120.200 0.033 0.000 2.150 589 E HA -0.243 4.107 4.350 0.000 0.000 0.193 589 E C 2.220 178.830 176.600 0.016 0.000 0.985 589 E CA 1.055 57.468 56.400 0.021 0.000 0.814 589 E CB -0.099 29.608 29.700 0.011 0.000 0.752 589 E HN 0.523 nan 8.360 nan 0.000 0.466 590 K N 1.174 121.580 120.400 0.010 0.000 2.026 590 K HA -0.136 4.184 4.320 0.000 0.000 0.208 590 K C 2.137 178.741 176.600 0.007 0.000 1.048 590 K CA 0.866 57.155 56.287 0.002 0.000 0.929 590 K CB -0.029 32.466 32.500 -0.009 0.000 0.713 590 K HN 0.056 nan 8.250 nan 0.000 0.439 591 L N 0.414 121.646 121.223 0.016 0.000 2.046 591 L HA -0.183 4.157 4.340 0.000 0.000 0.208 591 L C 2.592 179.483 176.870 0.035 0.000 1.077 591 L CA 1.281 56.135 54.840 0.023 0.000 0.747 591 L CB -0.505 41.580 42.059 0.043 0.000 0.896 591 L HN 0.316 nan 8.230 nan 0.000 0.432 592 A N -0.977 121.869 122.820 0.043 0.000 1.902 592 A HA -0.245 4.075 4.320 0.000 0.000 0.217 592 A C 2.279 179.877 177.584 0.023 0.000 1.181 592 A CA 1.485 53.544 52.037 0.037 0.000 0.623 592 A CB -0.506 18.513 19.000 0.031 0.000 0.818 592 A HN 0.404 nan 8.150 nan 0.000 0.443 593 Q N -0.376 119.434 119.800 0.016 0.000 2.119 593 Q HA -0.224 4.116 4.340 0.000 0.000 0.201 593 Q C 2.163 178.169 176.000 0.009 0.000 0.972 593 Q CA 2.060 57.869 55.803 0.010 0.000 0.847 593 Q CB -0.211 28.530 28.738 0.005 0.000 0.903 593 Q HN 0.866 nan 8.270 nan 0.000 0.433 594 Q N -0.235 119.570 119.800 0.008 0.000 2.137 594 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 594 Q C 1.186 177.191 176.000 0.009 0.000 0.960 594 Q CA 1.134 56.940 55.803 0.005 0.000 0.847 594 Q CB 0.227 28.965 28.738 -0.000 0.000 0.915 594 Q HN 0.405 nan 8.270 nan 0.000 0.448 595 E N -1.619 118.590 120.200 0.016 0.000 2.415 595 E HA 0.104 4.455 4.350 0.000 0.000 0.197 595 E C 0.740 177.354 176.600 0.023 0.000 1.007 595 E CA 0.425 56.837 56.400 0.021 0.000 0.890 595 E CB 0.826 30.544 29.700 0.031 0.000 0.891 595 E HN 0.581 nan 8.360 nan 0.000 0.496 596 G N 1.792 110.604 108.800 0.021 0.000 2.195 596 G HA2 -0.255 3.705 3.960 0.000 0.000 0.224 596 G HA3 -0.255 3.705 3.960 0.000 0.000 0.224 596 G C 0.115 175.028 174.900 0.021 0.000 0.990 596 G CA 0.343 45.454 45.100 0.019 0.000 0.639 596 G HN 0.340 nan 8.290 nan 0.000 0.514 597 Q N -1.023 118.793 119.800 0.027 0.000 2.702 597 Q HA 0.601 4.942 4.340 0.000 0.000 0.289 597 Q C -1.188 174.830 176.000 0.031 0.000 0.923 597 Q CA -0.531 55.287 55.803 0.025 0.000 0.787 597 Q CB 0.351 29.103 28.738 0.024 0.000 1.476 597 Q HN 0.135 nan 8.270 nan 0.000 0.402 598 T N 0.810 115.373 114.554 0.016 0.000 2.856 598 T HA 0.546 4.896 4.350 0.000 0.000 0.292 598 T C 0.818 175.501 174.700 -0.028 0.000 0.980 598 T CA 0.783 62.885 62.100 0.004 0.000 1.091 598 T CB 0.825 69.684 68.868 -0.015 0.000 0.936 598 T HN 1.265 nan 8.240 nan 0.000 0.503 599 G N 2.694 111.461 108.800 -0.054 0.000 2.160 599 G HA2 -0.207 3.753 3.960 0.000 0.000 0.244 599 G HA3 -0.207 3.753 3.960 0.000 0.000 0.244 599 G C 0.096 174.997 174.900 0.001 0.000 1.022 599 G CA -0.429 44.508 45.100 -0.271 0.000 0.741 599 G HN 0.683 nan 8.290 nan 0.000 0.508 600 L N 0.573 121.891 121.223 0.159 0.000 2.483 600 L HA 0.259 4.599 4.340 0.000 0.000 0.276 600 L C -1.196 175.862 176.870 0.313 0.000 1.213 600 L CA -1.599 53.351 54.840 0.185 0.000 0.843 600 L CB 0.387 42.527 42.059 0.134 0.000 1.107 600 L HN -0.008 nan 8.230 nan 0.000 0.487 601 P HA -0.052 nan 4.420 nan 0.000 0.271 601 P C -0.461 176.984 177.300 0.242 0.000 1.233 601 P CA -0.197 63.084 63.100 0.302 0.000 0.789 601 P CB 0.251 32.099 31.700 0.247 0.000 0.951 602 H N 3.089 122.237 119.070 0.131 0.000 3.094 602 H HA -0.028 4.529 4.556 0.000 0.000 0.320 602 H C -1.422 173.947 175.328 0.069 0.000 1.000 602 H CA -0.846 55.241 56.048 0.064 0.000 1.413 602 H CB 0.205 30.004 29.762 0.062 0.000 1.405 602 H HN 0.223 nan 8.280 nan 0.000 0.586 603 P HA -0.091 nan 4.420 nan 0.000 0.221 603 P C 0.585 178.026 177.300 0.236 0.000 1.145 603 P CA 1.607 64.791 63.100 0.140 0.000 0.795 603 P CB 0.265 31.984 31.700 0.031 0.000 0.775 604 K N -1.068 119.614 120.400 0.471 0.000 2.374 604 K HA 0.226 4.546 4.320 0.000 0.000 0.196 604 K C 0.398 177.051 176.600 0.087 0.000 1.023 604 K CA 0.154 56.577 56.287 0.227 0.000 1.103 604 K CB 0.401 33.010 32.500 0.183 0.000 0.848 604 K HN 0.201 nan 8.250 nan 0.000 0.528 605 I N 2.634 123.278 120.570 0.124 0.000 2.750 605 I HA 0.215 4.385 4.170 0.000 0.000 0.279 605 I C -2.581 173.625 176.117 0.148 0.000 1.206 605 I CA -2.128 59.198 61.300 0.043 0.000 1.101 605 I CB 0.811 38.748 38.000 -0.104 0.000 1.431 605 I HN -0.201 nan 8.210 nan 0.000 0.551 606 P HA 0.185 nan 4.420 nan 0.000 0.273 606 P C 0.010 177.454 177.300 0.240 0.000 1.250 606 P CA -0.364 62.837 63.100 0.169 0.000 0.793 606 P CB 0.701 32.465 31.700 0.107 0.000 1.011 607 L N 2.229 123.551 121.223 0.165 0.000 2.506 607 L HA -0.004 4.336 4.340 0.000 0.000 0.281 607 L C -1.098 175.748 176.870 -0.041 0.000 1.228 607 L CA -0.988 53.883 54.840 0.052 0.000 0.850 607 L CB -0.283 41.773 42.059 -0.005 0.000 1.110 607 L HN 0.367 nan 8.230 nan 0.000 0.496 608 P HA -0.173 nan 4.420 nan 0.000 0.217 608 P C 0.937 178.178 177.300 -0.099 0.000 1.151 608 P CA 1.519 64.510 63.100 -0.181 0.000 0.849 608 P CB 0.107 31.617 31.700 -0.316 0.000 0.787 609 R N -1.111 119.330 120.500 -0.099 0.000 2.328 609 R HA 0.069 4.410 4.340 0.000 0.000 0.200 609 R C 0.077 176.357 176.300 -0.033 0.000 0.983 609 R CA 0.275 56.336 56.100 -0.064 0.000 1.062 609 R CB -0.278 29.982 30.300 -0.067 0.000 0.956 609 R HN 0.307 nan 8.270 nan 0.000 0.479 610 D N 0.000 120.389 120.400 -0.018 0.000 6.856 610 D HA 0.000 4.640 4.640 0.000 0.000 0.175 610 D CA 0.000 54.002 54.000 0.003 0.000 0.868 610 D CB 0.000 40.812 40.800 0.020 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683