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 2o7s_1_A DATA FIRST_RESID 90 DATA SEQUENCE VKNPSLICAP VMADSIDKMV IETSKAHELG ADLVEIRLDW LKDFNPLEDL DATA SEQUENCE KTIIKKSPLP TLFTYRPKWE GGQYEGDENE RRDVLRLAME LGADYIDVEL DATA SEQUENCE QVASEFIKSI DGKKPGKFKV IVSSHNYQNT PSVEDLDGLV ARIQQTGADI DATA SEQUENCE VKIATTAVDI ADVARMFHIT SKAQVPTIGL VMGERGLMSR ILCSKFGGYL DATA SEQUENCE TFGTLDSSKV SAPGQPTIKD LLDLYNFRRI GPDTKVYGII GKPVSHSKSP DATA SEQUENCE IVHNQAFKSV DFNGVYVHLL VDNLVSFLQA YSSSDFAGFS CTIPHKEAAL DATA SEQUENCE QXCDEVDPLA KSIGAVNTIL RRKSDGKLLG YNTDXIGSIS AIEDGLXXXX DATA SEQUENCE XXXXXXXXXX XXXXXTVVVI GAGGAGKALA YGAKEKGAXV VIANRTYERA DATA SEQUENCE LELAEAIGGX ALSLTDLDNY XXEDGMVLAN TTSMGMQPNV EETPISKDAL DATA SEQUENCE KHYALVFDAV YTPRITRLLR EAEESGAITV SGSEMFVRQA YEQFEIFTGL DATA SEQUENCE PAPKELYWQI MSKYGSRENL YFQ 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 90 V HA 0.000 nan 4.120 nan 0.000 0.244 90 V C 0.000 176.125 176.094 0.052 0.000 1.182 90 V CA 0.000 62.326 62.300 0.043 0.000 1.235 90 V CB 0.000 31.858 31.823 0.058 0.000 1.184 91 K N 1.677 122.096 120.400 0.031 0.000 1.898 91 K HA -0.194 4.126 4.320 -0.000 0.000 0.256 91 K C 0.389 176.995 176.600 0.010 0.000 1.652 91 K CA 1.195 57.500 56.287 0.031 0.000 0.589 91 K CB -0.862 31.678 32.500 0.067 0.000 0.785 91 K HN 0.871 nan 8.250 nan 0.000 0.824 92 N N 2.799 121.508 118.700 0.015 0.000 2.305 92 N HA 0.079 4.818 4.740 -0.000 0.000 0.232 92 N C -2.140 173.338 175.510 -0.054 0.000 1.274 92 N CA -0.377 52.659 53.050 -0.023 0.000 0.870 92 N CB -0.535 37.936 38.487 -0.027 0.000 1.105 92 N HN 0.215 nan 8.380 nan 0.000 0.436 93 P HA 0.010 nan 4.420 nan 0.000 0.271 93 P C -0.083 177.164 177.300 -0.088 0.000 1.233 93 P CA -0.105 62.939 63.100 -0.095 0.000 0.789 93 P CB 0.466 32.110 31.700 -0.093 0.000 0.951 94 S N 0.880 116.545 115.700 -0.057 0.000 2.549 94 S HA 0.197 4.667 4.470 -0.000 0.000 0.279 94 S C -0.002 174.646 174.600 0.079 0.000 1.321 94 S CA -0.466 57.741 58.200 0.011 0.000 1.054 94 S CB -0.515 62.788 63.200 0.172 0.000 0.899 94 S HN 0.195 nan 8.310 nan 0.000 0.497 95 L N 4.339 125.492 121.223 -0.117 0.000 2.456 95 L HA 0.512 4.852 4.340 -0.000 0.000 0.257 95 L C -0.119 176.664 176.870 -0.144 0.000 1.162 95 L CA -0.570 54.191 54.840 -0.133 0.000 0.808 95 L CB 0.648 42.546 42.059 -0.267 0.000 1.136 95 L HN 0.586 nan 8.230 nan 0.000 0.466 96 I N 1.224 121.687 120.570 -0.179 0.000 2.382 96 I HA 0.226 4.395 4.170 -0.000 0.000 0.286 96 I C -0.647 175.326 176.117 -0.240 0.000 1.002 96 I CA -0.280 60.857 61.300 -0.272 0.000 1.135 96 I CB 1.692 39.513 38.000 -0.298 0.000 1.288 96 I HN 0.499 nan 8.210 nan 0.000 0.448 97 C N 6.309 125.409 119.300 -0.333 0.000 2.329 97 C HA 0.825 5.285 4.460 -0.000 0.000 0.329 97 C C 0.549 175.464 174.990 -0.125 0.000 1.275 97 C CA -0.258 58.580 59.018 -0.299 0.000 1.726 97 C CB 0.406 27.803 27.740 -0.572 0.000 2.291 97 C HN 0.833 nan 8.230 nan 0.000 0.514 98 A N 7.658 130.454 122.820 -0.040 0.000 2.260 98 A HA 0.701 5.020 4.320 -0.000 0.000 0.314 98 A C -2.718 174.901 177.584 0.058 0.000 1.257 98 A CA -1.259 50.791 52.037 0.021 0.000 0.871 98 A CB 0.323 19.317 19.000 -0.010 0.000 1.166 98 A HN 0.761 nan 8.150 nan 0.000 0.522 99 P HA 0.270 nan 4.420 nan 0.000 0.276 99 P C -0.728 176.540 177.300 -0.052 0.000 1.235 99 P CA 0.016 63.135 63.100 0.032 0.000 0.772 99 P CB 1.132 32.819 31.700 -0.022 0.000 0.871 100 V N 5.473 125.343 119.914 -0.073 0.000 2.350 100 V HA 0.293 4.412 4.120 -0.000 0.000 0.285 100 V C 0.757 176.777 176.094 -0.124 0.000 1.014 100 V CA 0.052 62.296 62.300 -0.094 0.000 0.831 100 V CB 0.923 32.698 31.823 -0.080 0.000 1.000 100 V HN 0.581 nan 8.190 nan 0.000 0.433 101 M N 3.139 122.623 119.600 -0.192 0.000 2.416 101 M HA 0.413 4.893 4.480 -0.000 0.000 0.337 101 M C 0.847 177.049 176.300 -0.164 0.000 1.074 101 M CA -0.198 54.933 55.300 -0.282 0.000 0.968 101 M CB 1.018 33.172 32.600 -0.745 0.000 1.472 101 M HN 0.598 nan 8.290 nan 0.000 0.539 102 A N 1.696 124.462 122.820 -0.090 0.000 2.555 102 A HA 0.039 4.359 4.320 -0.000 0.000 0.233 102 A C 0.785 178.391 177.584 0.037 0.000 1.060 102 A CA 0.451 52.469 52.037 -0.032 0.000 0.759 102 A CB 0.045 19.033 19.000 -0.020 0.000 0.995 102 A HN 0.607 nan 8.150 nan 0.000 0.506 103 D N -0.060 120.381 120.400 0.068 0.000 2.349 103 D HA 0.076 4.715 4.640 -0.000 0.000 0.224 103 D C 0.404 176.752 176.300 0.079 0.000 1.029 103 D CA 0.690 54.754 54.000 0.107 0.000 0.879 103 D CB -0.278 40.596 40.800 0.124 0.000 0.906 103 D HN 0.489 nan 8.370 nan 0.000 0.528 104 S N -1.443 114.292 115.700 0.057 0.000 2.595 104 S HA 0.404 4.874 4.470 -0.000 0.000 0.281 104 S C 0.583 175.214 174.600 0.051 0.000 1.117 104 S CA -0.947 57.289 58.200 0.059 0.000 0.873 104 S CB 1.453 64.685 63.200 0.054 0.000 1.108 104 S HN -0.092 nan 8.310 nan 0.000 0.477 105 I N 1.289 121.899 120.570 0.067 0.000 2.179 105 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 105 I C 1.648 177.798 176.117 0.055 0.000 1.088 105 I CA 1.869 63.211 61.300 0.070 0.000 1.357 105 I CB -0.533 37.528 38.000 0.101 0.000 1.051 105 I HN 0.800 nan 8.210 nan 0.000 0.409 106 D N 0.564 120.995 120.400 0.051 0.000 2.149 106 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 106 D C 2.166 178.485 176.300 0.032 0.000 0.990 106 D CA 1.330 55.355 54.000 0.041 0.000 0.839 106 D CB -0.148 40.675 40.800 0.038 0.000 0.948 106 D HN 0.425 nan 8.370 nan 0.000 0.460 107 K N -0.086 120.331 120.400 0.028 0.000 2.155 107 K HA 0.043 4.362 4.320 -0.000 0.000 0.203 107 K C 2.263 178.869 176.600 0.009 0.000 1.052 107 K CA 0.568 56.865 56.287 0.017 0.000 0.948 107 K CB 0.025 32.534 32.500 0.014 0.000 0.728 107 K HN 0.107 nan 8.250 nan 0.000 0.448 108 M N 0.315 119.923 119.600 0.013 0.000 2.175 108 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 108 M C 2.065 178.371 176.300 0.010 0.000 1.063 108 M CA 1.221 56.522 55.300 0.002 0.000 1.119 108 M CB -0.120 32.483 32.600 0.004 0.000 1.377 108 M HN -0.041 nan 8.290 nan 0.000 0.415 109 V N 0.763 120.692 119.914 0.025 0.000 2.343 109 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 109 V C 2.163 178.271 176.094 0.024 0.000 1.051 109 V CA 1.722 64.040 62.300 0.030 0.000 1.036 109 V CB -0.579 31.267 31.823 0.039 0.000 0.654 109 V HN 0.439 nan 8.190 nan 0.000 0.451 110 I N -0.280 120.302 120.570 0.020 0.000 2.315 110 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 110 I C 2.533 178.658 176.117 0.013 0.000 1.117 110 I CA 1.443 62.754 61.300 0.018 0.000 1.404 110 I CB -0.375 37.634 38.000 0.014 0.000 1.071 110 I HN 0.399 nan 8.210 nan 0.000 0.419 111 E N 0.365 120.567 120.200 0.003 0.000 2.106 111 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 111 E C 2.224 178.825 176.600 0.002 0.000 0.984 111 E CA 1.922 58.319 56.400 -0.006 0.000 0.806 111 E CB -0.148 29.538 29.700 -0.024 0.000 0.750 111 E HN 0.603 nan 8.360 nan 0.000 0.458 112 T N -1.086 113.470 114.554 0.004 0.000 2.833 112 T HA -0.083 4.266 4.350 -0.000 0.000 0.269 112 T C 2.163 176.888 174.700 0.042 0.000 1.054 112 T CA 1.340 63.446 62.100 0.009 0.000 1.135 112 T CB -0.145 68.724 68.868 0.001 0.000 0.869 112 T HN -0.097 nan 8.240 nan 0.000 0.466 113 S N 1.472 117.201 115.700 0.049 0.000 2.368 113 S HA -0.009 4.461 4.470 -0.000 0.000 0.224 113 S C 2.022 176.672 174.600 0.082 0.000 1.029 113 S CA 1.335 59.584 58.200 0.083 0.000 0.988 113 S CB -0.352 62.885 63.200 0.062 0.000 0.838 113 S HN 0.489 nan 8.310 nan 0.000 0.462 114 K N 2.258 122.684 120.400 0.043 0.000 2.097 114 K HA 0.119 4.439 4.320 -0.000 0.000 0.206 114 K C 1.909 178.526 176.600 0.029 0.000 1.049 114 K CA 1.284 57.585 56.287 0.024 0.000 0.933 114 K CB -0.716 31.789 32.500 0.008 0.000 0.717 114 K HN 0.237 nan 8.250 nan 0.000 0.442 115 A N -0.103 122.740 122.820 0.039 0.000 1.902 115 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 115 A C 2.257 179.891 177.584 0.083 0.000 1.181 115 A CA 1.876 53.935 52.037 0.038 0.000 0.623 115 A CB -0.937 18.076 19.000 0.023 0.000 0.818 115 A HN 0.651 nan 8.150 nan 0.000 0.443 116 H N -0.481 118.584 119.070 -0.009 0.000 2.326 116 H HA -0.114 4.442 4.556 -0.000 0.000 0.301 116 H C 2.044 177.371 175.328 -0.002 0.000 1.081 116 H CA 1.567 57.613 56.048 -0.004 0.000 1.334 116 H CB 0.058 29.821 29.762 0.002 0.000 1.385 116 H HN 0.625 nan 8.280 nan 0.000 0.504 117 E N 0.529 120.677 120.200 -0.086 0.000 2.085 117 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 117 E C 2.444 178.989 176.600 -0.091 0.000 0.994 117 E CA 1.200 57.511 56.400 -0.148 0.000 0.801 117 E CB 0.015 29.674 29.700 -0.067 0.000 0.743 117 E HN 0.500 nan 8.360 nan 0.000 0.453 118 L N -0.973 120.228 121.223 -0.037 0.000 2.291 118 L HA -0.007 4.333 4.340 -0.000 0.000 0.214 118 L C 1.608 178.468 176.870 -0.017 0.000 1.120 118 L CA 0.816 55.644 54.840 -0.020 0.000 0.799 118 L CB -0.035 42.020 42.059 -0.007 0.000 0.925 118 L HN 0.416 nan 8.230 nan 0.000 0.446 119 G N -0.962 107.832 108.800 -0.011 0.000 2.175 119 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.182 119 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.182 119 G C 0.312 175.219 174.900 0.011 0.000 1.003 119 G CA -0.221 44.881 45.100 0.004 0.000 0.666 119 G HN 0.442 nan 8.290 nan 0.000 0.506 120 A N 0.152 122.978 122.820 0.011 0.000 2.425 120 A HA 0.549 4.869 4.320 -0.000 0.000 0.242 120 A C 1.145 178.732 177.584 0.005 0.000 1.077 120 A CA 0.851 52.878 52.037 -0.017 0.000 0.781 120 A CB 0.344 19.331 19.000 -0.022 0.000 1.020 120 A HN 0.169 nan 8.150 nan 0.000 0.494 121 D N -0.540 119.840 120.400 -0.033 0.000 2.301 121 D HA 0.178 4.818 4.640 -0.000 0.000 0.206 121 D C 0.611 176.900 176.300 -0.018 0.000 0.979 121 D CA 1.324 55.313 54.000 -0.019 0.000 0.874 121 D CB 0.033 40.806 40.800 -0.044 0.000 0.968 121 D HN 0.604 nan 8.370 nan 0.000 0.510 122 L N -2.404 118.791 121.223 -0.047 0.000 2.765 122 L HA 0.622 4.962 4.340 -0.000 0.000 0.263 122 L C -1.282 175.551 176.870 -0.062 0.000 1.068 122 L CA -1.183 53.634 54.840 -0.038 0.000 0.903 122 L CB 2.207 44.244 42.059 -0.036 0.000 1.512 122 L HN -0.226 nan 8.230 nan 0.000 0.404 123 V N -2.287 117.590 119.914 -0.062 0.000 2.789 123 V HA 0.634 4.754 4.120 -0.000 0.000 0.311 123 V C -0.845 175.190 176.094 -0.098 0.000 1.073 123 V CA -0.420 61.837 62.300 -0.071 0.000 0.921 123 V CB 1.743 33.522 31.823 -0.074 0.000 1.009 123 V HN 0.953 nan 8.190 nan 0.000 0.426 124 E N 3.946 124.118 120.200 -0.047 0.000 2.092 124 E HA 0.409 4.759 4.350 -0.000 0.000 0.271 124 E C -1.021 175.512 176.600 -0.111 0.000 0.919 124 E CA -0.836 55.541 56.400 -0.039 0.000 0.760 124 E CB 1.286 31.077 29.700 0.152 0.000 1.106 124 E HN 0.715 nan 8.360 nan 0.000 0.408 125 I N 5.199 125.611 120.570 -0.263 0.000 2.322 125 I HA 0.165 4.334 4.170 -0.000 0.000 0.292 125 I C 0.425 176.492 176.117 -0.083 0.000 1.060 125 I CA -0.315 60.838 61.300 -0.246 0.000 1.309 125 I CB 0.377 38.069 38.000 -0.514 0.000 1.415 125 I HN 0.369 nan 8.210 nan 0.000 0.492 126 R N 6.932 127.426 120.500 -0.009 0.000 2.891 126 R HA 0.234 4.574 4.340 -0.000 0.000 0.248 126 R C 1.151 177.521 176.300 0.116 0.000 1.439 126 R CA -0.300 55.865 56.100 0.108 0.000 1.288 126 R CB 0.243 30.662 30.300 0.197 0.000 1.212 126 R HN 0.641 nan 8.270 nan 0.000 0.605 127 L N 1.042 122.277 121.223 0.020 0.000 2.187 127 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 127 L C 1.790 178.660 176.870 -0.001 0.000 1.100 127 L CA 1.473 56.179 54.840 -0.222 0.000 0.765 127 L CB -0.268 41.443 42.059 -0.580 0.000 0.904 127 L HN 0.467 nan 8.230 nan 0.000 0.437 128 D N -1.234 119.339 120.400 0.288 0.000 2.350 128 D HA -0.226 4.414 4.640 -0.000 0.000 0.216 128 D C 1.616 177.924 176.300 0.014 0.000 0.968 128 D CA 0.754 54.903 54.000 0.248 0.000 0.894 128 D CB -0.291 40.562 40.800 0.089 0.000 0.909 128 D HN 0.441 nan 8.370 nan 0.000 0.520 129 W N 0.944 122.258 121.300 0.023 0.000 3.197 129 W HA 0.318 4.978 4.660 -0.000 0.000 0.274 129 W C 0.571 177.081 176.519 -0.014 0.000 1.297 129 W CA -0.505 56.838 57.345 -0.003 0.000 1.662 129 W CB 0.178 29.623 29.460 -0.025 0.000 1.106 129 W HN -0.194 nan 8.180 nan 0.000 0.663 130 L N 1.987 123.284 121.223 0.124 0.000 2.410 130 L HA 0.019 4.359 4.340 -0.000 0.000 0.273 130 L C 1.937 178.870 176.870 0.104 0.000 1.144 130 L CA -0.198 54.677 54.840 0.058 0.000 0.863 130 L CB 0.782 42.765 42.059 -0.126 0.000 1.140 130 L HN -0.165 nan 8.230 nan 0.000 0.463 131 K N 2.293 122.759 120.400 0.110 0.000 1.973 131 K HA -0.069 4.251 4.320 -0.000 0.000 0.212 131 K C -0.077 176.599 176.600 0.128 0.000 1.047 131 K CA 1.463 57.812 56.287 0.102 0.000 0.937 131 K CB 0.045 32.597 32.500 0.087 0.000 0.721 131 K HN 0.619 nan 8.250 nan 0.000 0.440 132 D N -1.040 119.443 120.400 0.139 0.000 2.168 132 D HA 0.276 4.916 4.640 -0.000 0.000 0.246 132 D C -1.263 175.201 176.300 0.273 0.000 1.050 132 D CA -0.174 53.928 54.000 0.169 0.000 0.857 132 D CB 1.151 42.023 40.800 0.120 0.000 1.169 132 D HN 0.078 nan 8.370 nan 0.000 0.453 133 F N 2.368 122.362 119.950 0.072 0.000 2.617 133 F HA 0.350 4.877 4.527 -0.000 0.000 0.325 133 F C -1.121 174.709 175.800 0.050 0.000 1.179 133 F CA -0.929 57.108 58.000 0.063 0.000 0.965 133 F CB 1.134 40.184 39.000 0.083 0.000 1.232 133 F HN 0.158 nan 8.300 nan 0.000 0.461 134 N N 8.567 127.228 118.700 -0.065 0.000 2.816 134 N HA 0.213 4.953 4.740 -0.000 0.000 0.236 134 N C -2.241 172.996 175.510 -0.454 0.000 1.076 134 N CA -1.510 51.401 53.050 -0.231 0.000 0.902 134 N CB 1.451 39.902 38.487 -0.059 0.000 1.149 134 N HN 0.363 nan 8.380 nan 0.000 0.506 135 P HA -0.268 nan 4.420 nan 0.000 0.216 135 P C 1.766 178.887 177.300 -0.298 0.000 1.151 135 P CA 1.075 63.668 63.100 -0.844 0.000 0.953 135 P CB 0.538 31.862 31.700 -0.627 0.000 0.789 136 L N -1.161 119.939 121.223 -0.206 0.000 1.989 136 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 136 L C 2.331 179.163 176.870 -0.063 0.000 1.071 136 L CA 1.948 56.721 54.840 -0.111 0.000 0.749 136 L CB -0.653 41.353 42.059 -0.088 0.000 0.890 136 L HN -0.058 nan 8.230 nan 0.000 0.431 137 E N 0.079 120.247 120.200 -0.052 0.000 2.031 137 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 137 E C 1.841 178.463 176.600 0.036 0.000 0.994 137 E CA 1.629 58.025 56.400 -0.007 0.000 0.800 137 E CB -0.318 29.382 29.700 -0.001 0.000 0.752 137 E HN 0.481 nan 8.360 nan 0.000 0.447 138 D N 0.270 120.716 120.400 0.075 0.000 2.117 138 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 138 D C 2.074 178.483 176.300 0.182 0.000 0.987 138 D CA 0.776 54.881 54.000 0.176 0.000 0.829 138 D CB -0.260 40.753 40.800 0.356 0.000 0.961 138 D HN 0.139 nan 8.370 nan 0.000 0.460 139 L N 0.335 121.648 121.223 0.150 0.000 2.083 139 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 139 L C 2.390 179.284 176.870 0.039 0.000 1.083 139 L CA 0.941 55.818 54.840 0.061 0.000 0.752 139 L CB -0.272 41.731 42.059 -0.094 0.000 0.899 139 L HN -0.032 nan 8.230 nan 0.000 0.433 140 K N -0.022 120.392 120.400 0.024 0.000 2.057 140 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 140 K C 1.977 178.611 176.600 0.056 0.000 1.049 140 K CA 1.932 58.233 56.287 0.024 0.000 0.931 140 K CB -0.390 32.116 32.500 0.009 0.000 0.714 140 K HN 0.138 nan 8.250 nan 0.000 0.440 141 T N 1.047 115.644 114.554 0.071 0.000 2.674 141 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 141 T C 1.836 176.596 174.700 0.100 0.000 1.039 141 T CA 1.728 63.874 62.100 0.078 0.000 1.150 141 T CB -0.283 68.633 68.868 0.079 0.000 0.864 141 T HN 0.149 nan 8.240 nan 0.000 0.427 142 I N 0.694 121.350 120.570 0.143 0.000 2.151 142 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 142 I C 2.329 178.556 176.117 0.183 0.000 1.080 142 I CA 1.491 62.897 61.300 0.175 0.000 1.339 142 I CB -0.472 37.699 38.000 0.285 0.000 1.039 142 I HN 0.225 nan 8.210 nan 0.000 0.409 143 I N 0.597 121.297 120.570 0.216 0.000 2.226 143 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 143 I C 2.668 178.851 176.117 0.109 0.000 1.100 143 I CA 1.459 62.873 61.300 0.189 0.000 1.374 143 I CB -0.411 37.681 38.000 0.153 0.000 1.057 143 I HN 0.249 nan 8.210 nan 0.000 0.413 144 K N 1.675 122.125 120.400 0.083 0.000 2.025 144 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 144 K C 1.929 178.559 176.600 0.049 0.000 1.049 144 K CA 1.442 57.763 56.287 0.056 0.000 0.933 144 K CB 0.076 32.604 32.500 0.045 0.000 0.714 144 K HN 0.224 nan 8.250 nan 0.000 0.438 145 K N 0.512 120.945 120.400 0.055 0.000 2.361 145 K HA 0.042 4.362 4.320 -0.000 0.000 0.196 145 K C 0.667 177.289 176.600 0.035 0.000 1.039 145 K CA -0.001 56.312 56.287 0.044 0.000 1.001 145 K CB 0.436 32.964 32.500 0.046 0.000 0.795 145 K HN -0.024 nan 8.250 nan 0.000 0.495 146 S N 2.663 118.388 115.700 0.042 0.000 2.498 146 S HA 0.085 4.555 4.470 -0.000 0.000 0.281 146 S C -1.427 173.163 174.600 -0.017 0.000 1.265 146 S CA -1.435 56.776 58.200 0.020 0.000 1.071 146 S CB 0.660 63.879 63.200 0.031 0.000 0.894 146 S HN 0.072 nan 8.310 nan 0.000 0.491 147 P HA 0.164 nan 4.420 nan 0.000 0.241 147 P C -0.267 176.889 177.300 -0.239 0.000 1.191 147 P CA 0.369 63.363 63.100 -0.176 0.000 0.771 147 P CB 0.146 31.700 31.700 -0.242 0.000 0.929 148 L N -0.311 120.837 121.223 -0.125 0.000 2.333 148 L HA 0.519 4.859 4.340 -0.000 0.000 0.263 148 L C -2.523 174.341 176.870 -0.009 0.000 1.014 148 L CA -2.979 51.812 54.840 -0.082 0.000 0.820 148 L CB 1.923 43.950 42.059 -0.054 0.000 1.352 148 L HN -0.389 nan 8.230 nan 0.000 0.421 149 P HA 0.039 nan 4.420 nan 0.000 0.267 149 P C -0.887 176.475 177.300 0.103 0.000 1.200 149 P CA -0.063 63.094 63.100 0.095 0.000 0.772 149 P CB 0.452 32.239 31.700 0.145 0.000 0.855 150 T N 0.399 115.043 114.554 0.151 0.000 2.855 150 T HA 0.648 4.998 4.350 -0.000 0.000 0.281 150 T C -0.839 173.963 174.700 0.169 0.000 1.007 150 T CA -0.849 61.288 62.100 0.062 0.000 1.009 150 T CB 0.938 69.833 68.868 0.044 0.000 0.983 150 T HN 0.218 nan 8.240 nan 0.000 0.455 151 L N 2.761 123.951 121.223 -0.056 0.000 2.372 151 L HA 0.728 5.068 4.340 -0.000 0.000 0.274 151 L C -1.928 174.852 176.870 -0.150 0.000 0.988 151 L CA -1.082 53.792 54.840 0.056 0.000 0.833 151 L CB 0.791 42.821 42.059 -0.049 0.000 1.236 151 L HN 0.714 nan 8.230 nan 0.000 0.410 152 F N 2.901 122.940 119.950 0.148 0.000 2.420 152 F HA 0.718 5.245 4.527 -0.000 0.000 0.342 152 F C 0.573 176.424 175.800 0.084 0.000 1.113 152 F CA -0.212 57.848 58.000 0.100 0.000 1.059 152 F CB 2.186 41.246 39.000 0.100 0.000 1.128 152 F HN 0.438 nan 8.300 nan 0.000 0.475 153 T N 3.230 117.900 114.554 0.194 0.000 2.848 153 T HA 0.251 4.601 4.350 -0.000 0.000 0.285 153 T C -1.254 173.561 174.700 0.191 0.000 0.995 153 T CA -0.504 61.686 62.100 0.150 0.000 0.970 153 T CB 0.895 69.822 68.868 0.099 0.000 0.976 153 T HN 0.595 nan 8.240 nan 0.000 0.441 154 Y N 2.642 122.930 120.300 -0.020 0.000 2.562 154 Y HA 0.413 4.963 4.550 -0.000 0.000 0.363 154 Y C 0.340 176.147 175.900 -0.155 0.000 0.991 154 Y CA -1.239 56.811 58.100 -0.084 0.000 1.121 154 Y CB 0.324 38.712 38.460 -0.120 0.000 1.159 154 Y HN 0.438 nan 8.280 nan 0.000 0.651 155 R N 4.775 125.270 120.500 -0.007 0.000 2.421 155 R HA 0.142 4.482 4.340 -0.000 0.000 0.305 155 R C -2.650 173.477 176.300 -0.288 0.000 1.039 155 R CA -1.458 54.531 56.100 -0.186 0.000 1.003 155 R CB 0.333 30.550 30.300 -0.138 0.000 0.959 155 R HN 0.243 nan 8.270 nan 0.000 0.427 156 P HA 0.107 nan 4.420 nan 0.000 0.279 156 P C -0.627 176.350 177.300 -0.539 0.000 1.252 156 P CA -0.441 62.333 63.100 -0.544 0.000 0.811 156 P CB 1.253 32.333 31.700 -1.033 0.000 1.035 157 K N 2.381 122.578 120.400 -0.338 0.000 2.152 157 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 157 K C 1.635 178.164 176.600 -0.118 0.000 1.048 157 K CA 1.765 57.926 56.287 -0.209 0.000 0.933 157 K CB -0.838 31.587 32.500 -0.124 0.000 0.721 157 K HN 0.607 nan 8.250 nan 0.000 0.447 158 W N -0.308 120.969 121.300 -0.037 0.000 2.825 158 W HA 0.081 4.741 4.660 0.000 0.000 0.243 158 W C 0.316 176.838 176.519 0.005 0.000 1.293 158 W CA 0.433 57.768 57.345 -0.017 0.000 1.403 158 W CB -0.232 29.228 29.460 -0.001 0.000 1.134 158 W HN 0.153 nan 8.180 nan 0.000 0.666 159 E N 0.034 120.143 120.200 -0.152 0.000 2.887 159 E HA 0.297 4.647 4.350 -0.000 0.000 0.206 159 E C 1.311 177.832 176.600 -0.132 0.000 0.983 159 E CA 0.291 56.639 56.400 -0.088 0.000 1.141 159 E CB -0.011 29.493 29.700 -0.327 0.000 1.061 159 E HN 0.184 nan 8.360 nan 0.000 0.468 160 G N -0.671 108.036 108.800 -0.155 0.000 2.159 160 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.256 160 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.256 160 G C 0.618 175.394 174.900 -0.207 0.000 0.977 160 G CA 0.104 45.062 45.100 -0.236 0.000 0.652 160 G HN 0.609 nan 8.290 nan 0.000 0.531 161 G N -1.640 107.015 108.800 -0.242 0.000 2.531 161 G HA2 0.531 4.491 3.960 -0.000 0.000 0.281 161 G HA3 0.531 4.491 3.960 -0.000 0.000 0.281 161 G C 0.674 175.400 174.900 -0.290 0.000 1.382 161 G CA 0.415 45.376 45.100 -0.231 0.000 1.045 161 G HN 0.148 nan 8.290 nan 0.000 0.533 162 Q N -1.485 118.101 119.800 -0.356 0.000 2.317 162 Q HA 0.089 4.429 4.340 -0.000 0.000 0.220 162 Q C -0.160 175.677 176.000 -0.272 0.000 0.873 162 Q CA -0.313 55.234 55.803 -0.426 0.000 0.936 162 Q CB 0.314 28.590 28.738 -0.770 0.000 1.105 162 Q HN 0.540 nan 8.270 nan 0.000 0.520 163 Y N 2.331 122.432 120.300 -0.332 0.000 2.425 163 Y HA 0.087 4.637 4.550 -0.000 0.000 0.331 163 Y C -0.222 175.528 175.900 -0.250 0.000 1.157 163 Y CA 0.334 58.244 58.100 -0.316 0.000 1.372 163 Y CB 0.506 38.654 38.460 -0.519 0.000 1.253 163 Y HN -0.109 nan 8.280 nan 0.000 0.536 164 E N 3.457 123.024 120.200 -1.056 0.000 2.314 164 E HA 0.653 5.003 4.350 -0.000 0.000 0.272 164 E C -0.419 175.580 176.600 -1.002 0.000 0.884 164 E CA -0.388 55.569 56.400 -0.739 0.000 0.753 164 E CB 2.017 31.489 29.700 -0.380 0.000 1.213 164 E HN 0.982 nan 8.360 nan 0.000 0.432 165 G N 2.138 110.640 108.800 -0.498 0.000 2.298 165 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.309 165 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.309 165 G C -1.331 173.589 174.900 0.035 0.000 1.279 165 G CA -0.844 44.105 45.100 -0.251 0.000 1.042 165 G HN 0.630 nan 8.290 nan 0.000 0.480 166 D N -0.352 120.128 120.400 0.133 0.000 2.493 166 D HA 0.367 5.007 4.640 -0.000 0.000 0.240 166 D C 1.373 177.837 176.300 0.274 0.000 1.142 166 D CA 0.701 54.808 54.000 0.179 0.000 0.872 166 D CB 1.169 42.056 40.800 0.144 0.000 1.173 166 D HN 0.604 nan 8.370 nan 0.000 0.467 167 E N 2.859 123.191 120.200 0.220 0.000 2.072 167 E HA -0.166 4.183 4.350 -0.000 0.000 0.190 167 E C 1.160 177.862 176.600 0.170 0.000 0.982 167 E CA 1.253 57.788 56.400 0.227 0.000 0.803 167 E CB 0.007 29.834 29.700 0.211 0.000 0.755 167 E HN 0.479 nan 8.360 nan 0.000 0.453 168 N N 0.773 119.559 118.700 0.143 0.000 2.166 168 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 168 N C 1.562 177.147 175.510 0.126 0.000 1.019 168 N CA 1.350 54.474 53.050 0.125 0.000 0.856 168 N CB -0.134 38.409 38.487 0.092 0.000 0.993 168 N HN 0.403 nan 8.380 nan 0.000 0.426 169 E N 0.710 120.991 120.200 0.134 0.000 2.077 169 E HA -0.144 4.205 4.350 -0.000 0.000 0.193 169 E C 2.090 178.775 176.600 0.142 0.000 0.989 169 E CA 0.556 57.039 56.400 0.139 0.000 0.800 169 E CB -0.050 29.755 29.700 0.175 0.000 0.746 169 E HN 0.278 nan 8.360 nan 0.000 0.452 170 R N 1.195 121.728 120.500 0.055 0.000 2.083 170 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 170 R C 2.261 178.643 176.300 0.136 0.000 1.137 170 R CA 1.511 57.536 56.100 -0.125 0.000 0.951 170 R CB 0.010 29.981 30.300 -0.549 0.000 0.851 170 R HN 0.054 nan 8.270 nan 0.000 0.434 171 R N 0.055 120.656 120.500 0.168 0.000 2.092 171 R HA -0.086 4.254 4.340 -0.000 0.000 0.231 171 R C 1.818 178.304 176.300 0.310 0.000 1.119 171 R CA 1.388 57.676 56.100 0.314 0.000 0.970 171 R CB -0.212 30.313 30.300 0.375 0.000 0.864 171 R HN 0.302 nan 8.270 nan 0.000 0.440 172 D N 0.324 120.837 120.400 0.188 0.000 2.149 172 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 172 D C 1.935 178.300 176.300 0.108 0.000 0.990 172 D CA 0.974 55.046 54.000 0.121 0.000 0.839 172 D CB -0.089 40.756 40.800 0.074 0.000 0.948 172 D HN 0.001 nan 8.370 nan 0.000 0.460 173 V N 0.978 120.973 119.914 0.135 0.000 2.295 173 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 173 V C 2.629 178.769 176.094 0.076 0.000 1.049 173 V CA 1.114 63.461 62.300 0.078 0.000 1.024 173 V CB -0.410 31.474 31.823 0.103 0.000 0.648 173 V HN 0.207 nan 8.190 nan 0.000 0.447 174 L N -0.716 120.613 121.223 0.178 0.000 2.083 174 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 174 L C 2.773 179.802 176.870 0.265 0.000 1.083 174 L CA 1.580 56.544 54.840 0.206 0.000 0.752 174 L CB -0.593 41.569 42.059 0.171 0.000 0.899 174 L HN 0.228 nan 8.230 nan 0.000 0.433 175 R N -0.153 120.527 120.500 0.300 0.000 2.092 175 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 175 R C 2.326 178.624 176.300 -0.004 0.000 1.119 175 R CA 1.069 57.254 56.100 0.141 0.000 0.970 175 R CB -0.335 29.984 30.300 0.032 0.000 0.864 175 R HN 0.330 nan 8.270 nan 0.000 0.440 176 L N 0.401 121.616 121.223 -0.013 0.000 2.083 176 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 176 L C 2.392 179.182 176.870 -0.134 0.000 1.083 176 L CA 1.341 56.136 54.840 -0.076 0.000 0.752 176 L CB -0.383 41.631 42.059 -0.076 0.000 0.899 176 L HN 0.235 nan 8.230 nan 0.000 0.433 177 A N -0.316 122.406 122.820 -0.164 0.000 1.902 177 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 177 A C 2.306 179.780 177.584 -0.183 0.000 1.181 177 A CA 2.023 53.869 52.037 -0.318 0.000 0.623 177 A CB -0.595 18.133 19.000 -0.455 0.000 0.818 177 A HN 0.563 nan 8.150 nan 0.000 0.443 178 M N -0.247 119.267 119.600 -0.145 0.000 2.080 178 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 178 M C 1.883 177.974 176.300 -0.348 0.000 1.068 178 M CA 2.333 57.383 55.300 -0.415 0.000 1.109 178 M CB -0.375 31.796 32.600 -0.716 0.000 1.342 178 M HN 0.545 nan 8.290 nan 0.000 0.405 179 E N 0.403 120.461 120.200 -0.236 0.000 2.110 179 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 179 E C 1.909 178.435 176.600 -0.124 0.000 0.988 179 E CA 1.364 57.662 56.400 -0.171 0.000 0.804 179 E CB -0.302 29.322 29.700 -0.127 0.000 0.745 179 E HN 0.580 nan 8.360 nan 0.000 0.458 180 L N -0.572 120.581 121.223 -0.117 0.000 2.552 180 L HA 0.089 4.429 4.340 -0.000 0.000 0.227 180 L C 1.340 178.187 176.870 -0.039 0.000 1.146 180 L CA 0.540 55.332 54.840 -0.079 0.000 0.858 180 L CB 0.115 42.118 42.059 -0.094 0.000 0.969 180 L HN 0.342 nan 8.230 nan 0.000 0.451 181 G N -0.632 108.148 108.800 -0.034 0.000 2.164 181 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.154 181 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.154 181 G C 0.337 175.316 174.900 0.132 0.000 1.014 181 G CA -0.266 44.855 45.100 0.035 0.000 0.683 181 G HN 0.381 nan 8.290 nan 0.000 0.500 182 A N 0.297 123.222 122.820 0.176 0.000 2.520 182 A HA 0.477 4.797 4.320 -0.000 0.000 0.235 182 A C 1.206 179.045 177.584 0.425 0.000 1.065 182 A CA 1.005 53.281 52.037 0.398 0.000 0.764 182 A CB 0.274 19.572 19.000 0.497 0.000 1.002 182 A HN 0.244 nan 8.150 nan 0.000 0.502 183 D N -0.394 120.209 120.400 0.338 0.000 2.249 183 D HA 0.101 4.741 4.640 -0.000 0.000 0.205 183 D C -0.568 175.610 176.300 -0.203 0.000 0.962 183 D CA 1.643 55.685 54.000 0.070 0.000 0.860 183 D CB 0.098 40.916 40.800 0.029 0.000 0.955 183 D HN 0.616 nan 8.370 nan 0.000 0.505 184 Y N -0.792 119.606 120.300 0.164 0.000 2.656 184 Y HA 0.373 4.923 4.550 -0.000 0.000 0.334 184 Y C -0.611 175.395 175.900 0.177 0.000 1.179 184 Y CA -1.603 56.471 58.100 -0.043 0.000 1.050 184 Y CB 1.164 39.604 38.460 -0.034 0.000 1.308 184 Y HN -0.277 nan 8.280 nan 0.000 0.456 185 I N -1.284 119.443 120.570 0.262 0.000 2.802 185 I HA 0.664 4.834 4.170 -0.000 0.000 0.298 185 I C -1.608 174.592 176.117 0.138 0.000 1.176 185 I CA -0.717 60.757 61.300 0.290 0.000 1.025 185 I CB 2.366 40.591 38.000 0.376 0.000 1.243 185 I HN 0.481 nan 8.210 nan 0.000 0.424 186 D N 4.467 124.929 120.400 0.103 0.000 2.349 186 D HA 0.494 5.133 4.640 -0.000 0.000 0.232 186 D C -1.453 174.839 176.300 -0.014 0.000 1.071 186 D CA -0.203 53.828 54.000 0.051 0.000 0.832 186 D CB 2.154 43.002 40.800 0.079 0.000 1.086 186 D HN 0.587 nan 8.370 nan 0.000 0.504 187 V N 3.459 123.339 119.914 -0.056 0.000 2.555 187 V HA 0.366 4.485 4.120 -0.000 0.000 0.302 187 V C -0.703 175.388 176.094 -0.006 0.000 1.038 187 V CA -0.701 61.520 62.300 -0.132 0.000 0.887 187 V CB 1.754 33.379 31.823 -0.330 0.000 0.991 187 V HN 0.461 nan 8.190 nan 0.000 0.434 188 E N 4.096 124.318 120.200 0.037 0.000 2.415 188 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 188 E C 0.694 177.398 176.600 0.172 0.000 0.995 188 E CA 0.030 56.515 56.400 0.141 0.000 0.915 188 E CB 0.821 30.653 29.700 0.219 0.000 0.951 188 E HN 0.657 nan 8.360 nan 0.000 0.449 189 L N 3.420 124.737 121.223 0.156 0.000 2.051 189 L HA -0.316 4.023 4.340 -0.000 0.000 0.214 189 L C 2.004 178.957 176.870 0.138 0.000 1.076 189 L CA 2.082 56.998 54.840 0.126 0.000 0.758 189 L CB -0.602 41.517 42.059 0.100 0.000 0.890 189 L HN 0.686 nan 8.230 nan 0.000 0.433 190 Q N -0.504 119.405 119.800 0.181 0.000 2.197 190 Q HA -0.148 4.192 4.340 -0.000 0.000 0.207 190 Q C 1.625 177.682 176.000 0.095 0.000 0.984 190 Q CA 2.429 58.300 55.803 0.113 0.000 0.869 190 Q CB -0.218 28.558 28.738 0.064 0.000 0.906 190 Q HN 0.598 nan 8.270 nan 0.000 0.426 191 V N -4.133 115.884 119.914 0.172 0.000 3.253 191 V HA 0.583 4.703 4.120 -0.000 0.000 0.320 191 V C 1.456 177.669 176.094 0.198 0.000 1.442 191 V CA 0.425 62.827 62.300 0.169 0.000 1.097 191 V CB -0.187 31.770 31.823 0.223 0.000 1.008 191 V HN 0.212 nan 8.190 nan 0.000 0.463 192 A N 1.189 124.112 122.820 0.172 0.000 1.933 192 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 192 A C 2.352 180.056 177.584 0.199 0.000 1.175 192 A CA 2.425 54.574 52.037 0.187 0.000 0.628 192 A CB -0.754 18.325 19.000 0.131 0.000 0.814 192 A HN 0.587 nan 8.150 nan 0.000 0.444 193 S N -0.197 115.587 115.700 0.141 0.000 2.348 193 S HA -0.193 4.277 4.470 -0.000 0.000 0.221 193 S C 1.865 176.537 174.600 0.119 0.000 1.033 193 S CA 1.662 59.929 58.200 0.111 0.000 1.010 193 S CB -0.374 62.872 63.200 0.076 0.000 0.891 193 S HN 0.724 nan 8.310 nan 0.000 0.442 194 E N 0.046 120.321 120.200 0.126 0.000 2.085 194 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 194 E C 1.805 178.484 176.600 0.132 0.000 0.994 194 E CA 1.191 57.658 56.400 0.111 0.000 0.801 194 E CB -0.237 29.533 29.700 0.117 0.000 0.743 194 E HN 0.481 nan 8.360 nan 0.000 0.453 195 F N 1.271 121.266 119.950 0.075 0.000 2.075 195 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 195 F C 2.077 177.927 175.800 0.083 0.000 1.113 195 F CA 1.354 59.406 58.000 0.086 0.000 1.218 195 F CB -0.093 38.973 39.000 0.109 0.000 0.984 195 F HN -0.097 nan 8.300 nan 0.000 0.472 196 I N 0.148 120.865 120.570 0.245 0.000 2.335 196 I HA -0.325 3.845 4.170 -0.000 0.000 0.251 196 I C 2.233 178.362 176.117 0.020 0.000 1.129 196 I CA 1.358 62.746 61.300 0.147 0.000 1.402 196 I CB -0.510 37.596 38.000 0.178 0.000 1.069 196 I HN 0.175 nan 8.210 nan 0.000 0.424 197 K N 0.658 121.065 120.400 0.013 0.000 2.057 197 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 197 K C 2.265 178.826 176.600 -0.065 0.000 1.050 197 K CA 1.789 58.069 56.287 -0.012 0.000 0.935 197 K CB -0.225 32.278 32.500 0.005 0.000 0.715 197 K HN 0.375 nan 8.250 nan 0.000 0.439 198 S N 1.465 117.087 115.700 -0.130 0.000 2.469 198 S HA -0.113 4.357 4.470 -0.000 0.000 0.238 198 S C 1.722 176.201 174.600 -0.203 0.000 0.998 198 S CA 1.052 59.145 58.200 -0.180 0.000 0.957 198 S CB -0.640 62.405 63.200 -0.258 0.000 0.764 198 S HN 0.488 nan 8.310 nan 0.000 0.514 199 I N -1.196 119.249 120.570 -0.208 0.000 3.974 199 I HA 0.405 4.575 4.170 -0.000 0.000 0.334 199 I C -0.157 175.924 176.117 -0.060 0.000 1.437 199 I CA -0.697 60.513 61.300 -0.150 0.000 1.113 199 I CB -0.328 37.578 38.000 -0.156 0.000 1.063 199 I HN -0.092 nan 8.210 nan 0.000 0.400 200 D N 2.645 123.018 120.400 -0.044 0.000 2.520 200 D HA 0.224 4.864 4.640 -0.000 0.000 0.243 200 D C 1.538 177.829 176.300 -0.014 0.000 1.160 200 D CA 1.861 55.853 54.000 -0.013 0.000 0.877 200 D CB 0.475 41.268 40.800 -0.011 0.000 1.150 200 D HN 0.587 nan 8.370 nan 0.000 0.494 201 G N 3.818 112.618 108.800 0.000 0.000 2.160 201 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.251 201 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.251 201 G C 0.759 175.649 174.900 -0.015 0.000 1.008 201 G CA 0.628 45.726 45.100 -0.003 0.000 0.724 201 G HN 0.615 nan 8.290 nan 0.000 0.514 202 K N -0.800 119.586 120.400 -0.023 0.000 2.477 202 K HA 0.127 4.447 4.320 -0.000 0.000 0.208 202 K C 0.617 177.179 176.600 -0.064 0.000 1.117 202 K CA -0.341 55.916 56.287 -0.050 0.000 1.039 202 K CB 0.840 33.295 32.500 -0.074 0.000 0.937 202 K HN 0.269 nan 8.250 nan 0.000 0.570 203 K N 2.631 123.024 120.400 -0.012 0.000 2.339 203 K HA 0.166 4.486 4.320 -0.000 0.000 0.286 203 K C -2.474 174.139 176.600 0.022 0.000 1.050 203 K CA -1.463 54.839 56.287 0.025 0.000 0.956 203 K CB 0.238 32.851 32.500 0.188 0.000 0.990 203 K HN -0.132 nan 8.250 nan 0.000 0.475 204 P HA -0.028 nan 4.420 nan 0.000 0.271 204 P C 0.951 178.302 177.300 0.085 0.000 1.233 204 P CA -0.200 62.900 63.100 0.001 0.000 0.789 204 P CB 0.665 32.334 31.700 -0.053 0.000 0.951 205 G N 1.608 110.441 108.800 0.055 0.000 2.459 205 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 205 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 205 G C 0.375 175.316 174.900 0.067 0.000 1.183 205 G CA 0.552 45.685 45.100 0.055 0.000 0.776 205 G HN 0.578 nan 8.290 nan 0.000 0.552 206 K N -0.174 120.268 120.400 0.070 0.000 2.535 206 K HA 0.389 4.709 4.320 -0.000 0.000 0.242 206 K C -1.482 175.178 176.600 0.101 0.000 1.210 206 K CA -0.763 55.552 56.287 0.047 0.000 1.178 206 K CB -0.212 32.304 32.500 0.026 0.000 1.778 206 K HN 0.217 nan 8.250 nan 0.000 0.372 207 F N 1.006 120.907 119.950 -0.081 0.000 2.588 207 F HA 0.429 4.956 4.527 -0.000 0.000 0.314 207 F C -1.447 174.309 175.800 -0.073 0.000 1.134 207 F CA -0.674 57.275 58.000 -0.084 0.000 0.961 207 F CB 1.896 40.888 39.000 -0.013 0.000 1.239 207 F HN 0.086 nan 8.300 nan 0.000 0.448 208 K N 4.999 124.875 120.400 -0.873 0.000 2.371 208 K HA 0.696 5.016 4.320 -0.000 0.000 0.251 208 K C -1.643 174.569 176.600 -0.646 0.000 0.934 208 K CA -1.168 54.775 56.287 -0.574 0.000 0.798 208 K CB 2.890 35.215 32.500 -0.291 0.000 1.204 208 K HN 0.374 nan 8.250 nan 0.000 0.427 209 V N 4.302 124.021 119.914 -0.326 0.000 2.370 209 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 209 V C -0.075 175.996 176.094 -0.039 0.000 1.029 209 V CA -0.689 61.529 62.300 -0.137 0.000 0.870 209 V CB 0.892 32.747 31.823 0.053 0.000 0.984 209 V HN 0.617 nan 8.190 nan 0.000 0.451 210 I N 5.281 125.848 120.570 -0.006 0.000 2.353 210 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 210 I C -0.416 175.706 176.117 0.009 0.000 0.992 210 I CA -0.521 60.774 61.300 -0.008 0.000 1.268 210 I CB 1.784 39.781 38.000 -0.004 0.000 1.387 210 I HN 0.267 nan 8.210 nan 0.000 0.478 211 V N 5.719 125.637 119.914 0.007 0.000 2.409 211 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 211 V C 0.068 176.171 176.094 0.015 0.000 1.020 211 V CA -0.395 61.920 62.300 0.025 0.000 0.848 211 V CB 1.629 33.476 31.823 0.039 0.000 0.990 211 V HN 0.883 nan 8.190 nan 0.000 0.430 212 S N 3.253 118.971 115.700 0.031 0.000 2.621 212 S HA 0.850 5.320 4.470 -0.000 0.000 0.302 212 S C -0.407 174.202 174.600 0.015 0.000 1.093 212 S CA -0.711 57.486 58.200 -0.006 0.000 1.017 212 S CB 2.032 65.233 63.200 0.002 0.000 1.077 212 S HN 0.725 nan 8.310 nan 0.000 0.517 213 S N 0.335 115.972 115.700 -0.105 0.000 2.571 213 S HA 0.587 5.057 4.470 -0.000 0.000 0.284 213 S C -1.970 172.474 174.600 -0.260 0.000 1.128 213 S CA -0.645 57.526 58.200 -0.047 0.000 0.970 213 S CB 0.567 63.751 63.200 -0.028 0.000 1.039 213 S HN 0.813 nan 8.310 nan 0.000 0.485 214 H N 2.636 121.638 119.070 -0.112 0.000 2.529 214 H HA 0.525 5.081 4.556 -0.000 0.000 0.348 214 H C -0.319 174.784 175.328 -0.374 0.000 1.079 214 H CA -0.670 55.185 56.048 -0.321 0.000 1.198 214 H CB 1.239 30.719 29.762 -0.470 0.000 1.521 214 H HN 0.476 nan 8.280 nan 0.000 0.514 215 N N 3.043 121.555 118.700 -0.312 0.000 2.518 215 N HA 0.048 4.788 4.740 -0.000 0.000 0.254 215 N C -0.787 174.579 175.510 -0.240 0.000 0.979 215 N CA -0.328 52.610 53.050 -0.187 0.000 0.930 215 N CB 0.475 38.908 38.487 -0.090 0.000 1.152 215 N HN 0.565 nan 8.380 nan 0.000 0.505 216 Y N 1.732 122.070 120.300 0.064 0.000 2.471 216 Y HA 0.144 4.694 4.550 -0.000 0.000 0.286 216 Y C 1.390 177.309 175.900 0.031 0.000 1.188 216 Y CA 0.075 58.203 58.100 0.047 0.000 1.286 216 Y CB 0.618 39.102 38.460 0.041 0.000 1.072 216 Y HN 0.519 nan 8.280 nan 0.000 0.517 217 Q N 0.063 119.935 119.800 0.119 0.000 2.499 217 Q HA 0.128 4.468 4.340 -0.000 0.000 0.213 217 Q C 0.612 176.639 176.000 0.046 0.000 0.929 217 Q CA 0.681 56.532 55.803 0.081 0.000 0.904 217 Q CB 0.473 29.251 28.738 0.066 0.000 1.052 217 Q HN 0.408 nan 8.270 nan 0.000 0.589 218 N N -1.797 116.917 118.700 0.023 0.000 3.526 218 N HA 0.216 4.956 4.740 -0.000 0.000 0.328 218 N C -1.310 174.193 175.510 -0.011 0.000 1.601 218 N CA -0.528 52.527 53.050 0.008 0.000 0.834 218 N CB 0.752 39.243 38.487 0.007 0.000 1.983 218 N HN -0.180 nan 8.380 nan 0.000 0.579 219 T N 1.445 115.988 114.554 -0.017 0.000 2.864 219 T HA 0.544 4.894 4.350 -0.000 0.000 0.310 219 T C -2.651 172.034 174.700 -0.025 0.000 1.040 219 T CA -0.625 61.457 62.100 -0.030 0.000 0.977 219 T CB 1.361 70.204 68.868 -0.041 0.000 0.976 219 T HN 0.336 nan 8.240 nan 0.000 0.459 220 P HA 0.122 nan 4.420 nan 0.000 0.271 220 P C 0.239 177.530 177.300 -0.016 0.000 1.238 220 P CA -0.409 62.682 63.100 -0.015 0.000 0.794 220 P CB 0.384 32.078 31.700 -0.010 0.000 0.959 221 S N -0.532 115.160 115.700 -0.013 0.000 2.580 221 S HA 0.019 4.489 4.470 -0.000 0.000 0.266 221 S C 1.353 175.953 174.600 0.000 0.000 1.354 221 S CA -0.516 57.676 58.200 -0.013 0.000 1.008 221 S CB -0.155 63.038 63.200 -0.012 0.000 0.898 221 S HN 0.184 nan 8.310 nan 0.000 0.555 222 V N 1.389 121.309 119.914 0.009 0.000 2.392 222 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 222 V C 2.769 178.886 176.094 0.037 0.000 1.059 222 V CA 2.348 64.675 62.300 0.046 0.000 1.051 222 V CB -1.359 30.514 31.823 0.083 0.000 0.658 222 V HN 1.056 nan 8.190 nan 0.000 0.455 223 E N 0.267 120.479 120.200 0.021 0.000 2.038 223 E HA -0.302 4.048 4.350 -0.000 0.000 0.195 223 E C 1.810 178.417 176.600 0.012 0.000 1.000 223 E CA 1.941 58.350 56.400 0.016 0.000 0.803 223 E CB -0.147 29.557 29.700 0.007 0.000 0.750 223 E HN 0.601 nan 8.360 nan 0.000 0.448 224 D N 0.369 120.773 120.400 0.007 0.000 2.183 224 D HA -0.098 4.541 4.640 -0.000 0.000 0.203 224 D C 2.173 178.475 176.300 0.004 0.000 0.969 224 D CA 0.640 54.643 54.000 0.004 0.000 0.842 224 D CB -0.136 40.665 40.800 0.001 0.000 0.957 224 D HN 0.281 nan 8.370 nan 0.000 0.484 225 L N 0.738 121.964 121.223 0.005 0.000 2.093 225 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 225 L C 1.967 178.838 176.870 0.002 0.000 1.085 225 L CA 0.959 55.800 54.840 0.001 0.000 0.755 225 L CB -0.219 41.843 42.059 0.005 0.000 0.904 225 L HN -0.112 nan 8.230 nan 0.000 0.435 226 D N 0.138 120.543 120.400 0.008 0.000 2.117 226 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 226 D C 2.129 178.431 176.300 0.003 0.000 0.987 226 D CA 1.516 55.518 54.000 0.005 0.000 0.829 226 D CB -0.359 40.448 40.800 0.012 0.000 0.961 226 D HN 0.315 nan 8.370 nan 0.000 0.460 227 G N 0.506 109.309 108.800 0.006 0.000 2.422 227 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 227 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 227 G C 1.562 176.465 174.900 0.006 0.000 1.146 227 G CA 0.535 45.639 45.100 0.006 0.000 0.769 227 G HN 0.241 nan 8.290 nan 0.000 0.547 228 L N 0.783 122.008 121.223 0.003 0.000 2.056 228 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 228 L C 2.910 179.780 176.870 0.001 0.000 1.078 228 L CA 1.293 56.134 54.840 0.002 0.000 0.749 228 L CB -0.557 41.499 42.059 -0.004 0.000 0.901 228 L HN 0.074 nan 8.230 nan 0.000 0.433 229 V N 0.219 120.131 119.914 -0.003 0.000 2.287 229 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 229 V C 2.820 178.914 176.094 -0.000 0.000 1.053 229 V CA 1.751 64.047 62.300 -0.005 0.000 1.027 229 V CB -1.405 30.412 31.823 -0.010 0.000 0.646 229 V HN 0.611 nan 8.190 nan 0.000 0.447 230 A N -0.145 122.676 122.820 0.002 0.000 1.908 230 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 230 A C 2.355 179.945 177.584 0.010 0.000 1.181 230 A CA 2.047 54.087 52.037 0.005 0.000 0.627 230 A CB -0.527 18.477 19.000 0.006 0.000 0.818 230 A HN 0.529 nan 8.150 nan 0.000 0.445 231 R N -0.592 119.915 120.500 0.012 0.000 2.081 231 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 231 R C 2.011 178.324 176.300 0.022 0.000 1.131 231 R CA 1.668 57.778 56.100 0.017 0.000 0.960 231 R CB -0.491 29.820 30.300 0.019 0.000 0.856 231 R HN 0.591 nan 8.270 nan 0.000 0.436 232 I N 0.795 121.376 120.570 0.018 0.000 2.252 232 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 232 I C 2.411 178.540 176.117 0.020 0.000 1.102 232 I CA 1.376 62.689 61.300 0.021 0.000 1.385 232 I CB -0.325 37.681 38.000 0.010 0.000 1.064 232 I HN 0.245 nan 8.210 nan 0.000 0.414 233 Q N 0.462 120.269 119.800 0.012 0.000 2.096 233 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 233 Q C 2.151 178.162 176.000 0.019 0.000 0.982 233 Q CA 1.540 57.349 55.803 0.011 0.000 0.850 233 Q CB -0.191 28.550 28.738 0.005 0.000 0.901 233 Q HN 0.582 nan 8.270 nan 0.000 0.422 234 Q N -0.341 119.471 119.800 0.021 0.000 2.439 234 Q HA -0.122 4.218 4.340 -0.000 0.000 0.211 234 Q C 1.916 177.936 176.000 0.033 0.000 0.978 234 Q CA 1.515 57.332 55.803 0.024 0.000 0.897 234 Q CB -0.046 28.705 28.738 0.022 0.000 0.956 234 Q HN 0.486 nan 8.270 nan 0.000 0.483 235 T N -4.234 110.344 114.554 0.041 0.000 3.067 235 T HA 0.190 4.539 4.350 -0.000 0.000 0.261 235 T C 1.377 176.116 174.700 0.064 0.000 1.110 235 T CA 0.580 62.714 62.100 0.058 0.000 1.113 235 T CB 0.425 69.336 68.868 0.072 0.000 0.917 235 T HN 0.389 nan 8.240 nan 0.000 0.499 236 G N 1.028 109.858 108.800 0.050 0.000 2.138 236 G HA2 0.079 4.039 3.960 -0.000 0.000 0.193 236 G HA3 0.079 4.039 3.960 -0.000 0.000 0.193 236 G C 0.226 175.158 174.900 0.053 0.000 0.998 236 G CA -0.174 44.956 45.100 0.051 0.000 0.668 236 G HN 1.089 nan 8.290 nan 0.000 0.516 237 A N 0.035 122.882 122.820 0.044 0.000 2.498 237 A HA 0.517 4.837 4.320 -0.000 0.000 0.239 237 A C 1.231 178.816 177.584 0.002 0.000 1.068 237 A CA 0.931 52.986 52.037 0.030 0.000 0.766 237 A CB 0.331 19.342 19.000 0.019 0.000 1.003 237 A HN 0.211 nan 8.150 nan 0.000 0.497 238 D N 0.671 121.060 120.400 -0.018 0.000 2.183 238 D HA 0.111 4.751 4.640 -0.000 0.000 0.205 238 D C 0.213 176.459 176.300 -0.090 0.000 0.962 238 D CA 1.401 55.373 54.000 -0.047 0.000 0.849 238 D CB 0.160 40.921 40.800 -0.066 0.000 0.978 238 D HN 0.553 nan 8.370 nan 0.000 0.488 239 I N 0.943 121.449 120.570 -0.107 0.000 2.533 239 I HA 0.166 4.335 4.170 -0.000 0.000 0.290 239 I C -0.575 175.480 176.117 -0.103 0.000 1.056 239 I CA -0.828 60.368 61.300 -0.173 0.000 1.057 239 I CB 3.160 40.977 38.000 -0.304 0.000 1.240 239 I HN -0.391 nan 8.210 nan 0.000 0.423 240 V N 5.686 125.547 119.914 -0.088 0.000 2.465 240 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 240 V C -0.041 176.028 176.094 -0.042 0.000 1.045 240 V CA -0.434 61.837 62.300 -0.047 0.000 0.938 240 V CB 1.530 33.334 31.823 -0.031 0.000 0.986 240 V HN 0.636 nan 8.190 nan 0.000 0.467 241 K N 5.484 125.862 120.400 -0.036 0.000 2.502 241 K HA 0.680 5.000 4.320 -0.000 0.000 0.254 241 K C -1.548 175.002 176.600 -0.085 0.000 0.947 241 K CA -0.492 55.773 56.287 -0.037 0.000 0.834 241 K CB 1.274 33.761 32.500 -0.022 0.000 1.112 241 K HN 0.641 nan 8.250 nan 0.000 0.427 242 I N 3.341 123.863 120.570 -0.081 0.000 2.466 242 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 242 I C -0.831 175.202 176.117 -0.140 0.000 1.026 242 I CA -0.914 60.314 61.300 -0.121 0.000 1.078 242 I CB 2.120 40.079 38.000 -0.068 0.000 1.249 242 I HN 0.692 nan 8.210 nan 0.000 0.429 243 A N 4.497 127.172 122.820 -0.242 0.000 2.319 243 A HA 0.820 5.140 4.320 -0.000 0.000 0.310 243 A C -0.104 177.368 177.584 -0.187 0.000 1.152 243 A CA -0.448 51.466 52.037 -0.206 0.000 0.783 243 A CB 1.128 19.960 19.000 -0.280 0.000 1.184 243 A HN 0.722 nan 8.150 nan 0.000 0.474 244 T N -0.942 113.541 114.554 -0.118 0.000 2.841 244 T HA 0.814 5.164 4.350 -0.000 0.000 0.276 244 T C -0.054 174.606 174.700 -0.067 0.000 1.003 244 T CA -0.580 61.461 62.100 -0.099 0.000 0.995 244 T CB 1.542 70.368 68.868 -0.070 0.000 1.260 244 T HN 0.434 nan 8.240 nan 0.000 0.581 245 T N 1.164 115.695 114.554 -0.038 0.000 2.829 245 T HA 0.701 5.051 4.350 -0.000 0.000 0.280 245 T C -0.329 174.371 174.700 -0.001 0.000 0.999 245 T CA -0.597 61.503 62.100 -0.001 0.000 0.983 245 T CB 1.224 70.113 68.868 0.034 0.000 0.968 245 T HN 0.979 nan 8.240 nan 0.000 0.446 246 A N 2.742 125.565 122.820 0.006 0.000 2.269 246 A HA 0.527 4.847 4.320 -0.000 0.000 0.302 246 A C 1.077 178.671 177.584 0.017 0.000 1.266 246 A CA -0.497 51.543 52.037 0.005 0.000 0.894 246 A CB 0.097 19.101 19.000 0.006 0.000 1.147 246 A HN 0.749 nan 8.150 nan 0.000 0.537 247 V N 2.033 121.955 119.914 0.014 0.000 2.725 247 V HA 0.059 4.179 4.120 -0.000 0.000 0.247 247 V C 0.620 176.728 176.094 0.022 0.000 1.058 247 V CA 1.844 64.155 62.300 0.019 0.000 1.080 247 V CB -0.415 31.416 31.823 0.014 0.000 0.713 247 V HN 0.944 nan 8.190 nan 0.000 0.465 248 D N -2.278 118.136 120.400 0.023 0.000 2.661 248 D HA 0.307 4.947 4.640 -0.000 0.000 0.228 248 D C 0.542 176.874 176.300 0.054 0.000 1.183 248 D CA -0.586 53.437 54.000 0.037 0.000 0.844 248 D CB 1.764 42.584 40.800 0.034 0.000 1.555 248 D HN -0.016 nan 8.370 nan 0.000 0.453 249 I N 2.301 122.923 120.570 0.085 0.000 2.530 249 I HA -0.144 4.026 4.170 -0.000 0.000 0.257 249 I C 1.717 177.969 176.117 0.225 0.000 1.179 249 I CA 1.393 62.772 61.300 0.132 0.000 1.440 249 I CB 0.107 38.189 38.000 0.136 0.000 1.087 249 I HN 0.540 nan 8.210 nan 0.000 0.440 250 A N 0.162 123.096 122.820 0.190 0.000 2.070 250 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 250 A C 1.745 179.314 177.584 -0.026 0.000 1.159 250 A CA 1.768 53.855 52.037 0.083 0.000 0.656 250 A CB -0.555 18.428 19.000 -0.029 0.000 0.800 250 A HN 0.459 nan 8.150 nan 0.000 0.453 251 D N -0.077 120.321 120.400 -0.004 0.000 2.144 251 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 251 D C 1.952 178.197 176.300 -0.091 0.000 0.984 251 D CA 1.294 55.265 54.000 -0.049 0.000 0.834 251 D CB -0.419 40.361 40.800 -0.033 0.000 0.955 251 D HN 0.250 nan 8.370 nan 0.000 0.465 252 V N 1.457 121.321 119.914 -0.083 0.000 2.392 252 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 252 V C 2.550 178.413 176.094 -0.384 0.000 1.059 252 V CA 1.663 63.799 62.300 -0.273 0.000 1.051 252 V CB -0.872 30.776 31.823 -0.291 0.000 0.658 252 V HN 0.198 nan 8.190 nan 0.000 0.455 253 A N 0.023 122.755 122.820 -0.147 0.000 1.948 253 A HA -0.268 4.051 4.320 -0.000 0.000 0.220 253 A C 2.402 179.922 177.584 -0.105 0.000 1.177 253 A CA 2.017 53.972 52.037 -0.136 0.000 0.636 253 A CB -0.494 18.265 19.000 -0.402 0.000 0.815 253 A HN 0.544 nan 8.150 nan 0.000 0.449 254 R N -1.735 118.695 120.500 -0.117 0.000 2.092 254 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 254 R C 2.152 178.451 176.300 -0.001 0.000 1.119 254 R CA 1.313 57.392 56.100 -0.036 0.000 0.970 254 R CB -0.308 29.964 30.300 -0.048 0.000 0.864 254 R HN 0.404 nan 8.270 nan 0.000 0.440 255 M N -0.240 119.299 119.600 -0.101 0.000 2.175 255 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 255 M C 1.763 178.082 176.300 0.032 0.000 1.063 255 M CA 1.501 56.754 55.300 -0.078 0.000 1.119 255 M CB -0.460 32.039 32.600 -0.169 0.000 1.377 255 M HN 0.029 nan 8.290 nan 0.000 0.415 256 F N -0.753 119.164 119.950 -0.055 0.000 2.171 256 F HA -0.193 4.334 4.527 -0.000 0.000 0.300 256 F C 2.580 178.395 175.800 0.025 0.000 1.090 256 F CA 1.392 59.311 58.000 -0.134 0.000 1.293 256 F CB -1.603 37.013 39.000 -0.639 0.000 1.013 256 F HN 0.335 nan 8.300 nan 0.000 0.486 257 H N 0.175 119.321 119.070 0.128 0.000 2.387 257 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 257 H C 2.145 177.528 175.328 0.091 0.000 1.090 257 H CA 1.685 57.790 56.048 0.095 0.000 1.332 257 H CB -0.161 29.624 29.762 0.037 0.000 1.386 257 H HN 0.008 nan 8.280 nan 0.000 0.516 258 I N 0.478 121.063 120.570 0.025 0.000 2.202 258 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 258 I C 2.540 178.661 176.117 0.005 0.000 1.091 258 I CA 1.799 63.073 61.300 -0.042 0.000 1.368 258 I CB -1.629 36.374 38.000 0.005 0.000 1.058 258 I HN 0.510 nan 8.210 nan 0.000 0.410 259 T N -2.240 112.373 114.554 0.098 0.000 2.821 259 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 259 T C 2.094 176.865 174.700 0.119 0.000 1.046 259 T CA 1.538 63.715 62.100 0.128 0.000 1.139 259 T CB -0.569 68.427 68.868 0.214 0.000 0.871 259 T HN 0.211 nan 8.240 nan 0.000 0.454 260 S N 0.852 116.641 115.700 0.149 0.000 2.402 260 S HA -0.023 4.447 4.470 -0.000 0.000 0.229 260 S C 1.831 176.457 174.600 0.044 0.000 1.021 260 S CA 0.636 58.917 58.200 0.135 0.000 0.974 260 S CB -0.219 63.127 63.200 0.244 0.000 0.800 260 S HN 0.407 nan 8.310 nan 0.000 0.484 261 K N 0.674 121.050 120.400 -0.040 0.000 2.391 261 K HA 0.406 4.726 4.320 -0.000 0.000 0.197 261 K C 0.493 177.051 176.600 -0.069 0.000 1.087 261 K CA 0.369 56.608 56.287 -0.079 0.000 1.012 261 K CB -0.099 32.286 32.500 -0.191 0.000 0.925 261 K HN 0.317 nan 8.250 nan 0.000 0.547 262 A N 2.325 125.108 122.820 -0.061 0.000 2.492 262 A HA 0.040 4.360 4.320 -0.000 0.000 0.254 262 A C 0.113 177.689 177.584 -0.013 0.000 1.091 262 A CA 0.060 52.074 52.037 -0.038 0.000 0.768 262 A CB -0.064 18.920 19.000 -0.027 0.000 1.028 262 A HN 0.216 nan 8.150 nan 0.000 0.498 263 Q N 1.408 121.201 119.800 -0.012 0.000 3.170 263 Q HA 0.378 4.718 4.340 -0.000 0.000 0.346 263 Q C -0.549 175.451 176.000 -0.001 0.000 1.333 263 Q CA 0.013 55.815 55.803 -0.003 0.000 0.958 263 Q CB 0.029 28.765 28.738 -0.003 0.000 1.600 263 Q HN 0.521 nan 8.270 nan 0.000 0.482 264 V N 0.207 120.121 119.914 -0.000 0.000 3.098 264 V HA 0.354 4.474 4.120 -0.000 0.000 0.294 264 V C -2.812 173.276 176.094 -0.010 0.000 1.351 264 V CA -2.352 59.943 62.300 -0.009 0.000 0.999 264 V CB 2.659 34.473 31.823 -0.015 0.000 1.104 264 V HN 0.179 nan 8.190 nan 0.000 0.438 265 P HA 0.315 nan 4.420 nan 0.000 0.262 265 P C -1.063 176.191 177.300 -0.077 0.000 1.199 265 P CA 0.500 63.564 63.100 -0.060 0.000 0.763 265 P CB 0.299 31.869 31.700 -0.217 0.000 0.790 266 T N 4.481 119.046 114.554 0.018 0.000 2.879 266 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 266 T C 0.029 174.789 174.700 0.100 0.000 0.993 266 T CA -0.384 61.733 62.100 0.030 0.000 0.975 266 T CB 0.725 69.615 68.868 0.037 0.000 0.981 266 T HN 0.162 nan 8.240 nan 0.000 0.439 267 I N 2.914 123.528 120.570 0.072 0.000 2.306 267 I HA 0.509 4.679 4.170 -0.000 0.000 0.288 267 I C 0.688 176.856 176.117 0.085 0.000 1.036 267 I CA -0.387 60.984 61.300 0.117 0.000 1.221 267 I CB 0.980 39.046 38.000 0.111 0.000 1.385 267 I HN 0.748 nan 8.210 nan 0.000 0.472 268 G N 7.737 116.601 108.800 0.106 0.000 2.644 268 G HA2 0.737 4.697 3.960 -0.000 0.000 0.300 268 G HA3 0.737 4.697 3.960 -0.000 0.000 0.300 268 G C -1.012 173.939 174.900 0.085 0.000 1.395 268 G CA -0.318 44.825 45.100 0.072 0.000 0.964 268 G HN 0.402 nan 8.290 nan 0.000 0.511 269 L N 1.723 122.974 121.223 0.047 0.000 2.388 269 L HA 0.628 4.968 4.340 -0.000 0.000 0.264 269 L C -0.611 176.255 176.870 -0.007 0.000 0.998 269 L CA -1.313 53.558 54.840 0.051 0.000 0.817 269 L CB 2.772 44.894 42.059 0.104 0.000 1.338 269 L HN 0.207 nan 8.230 nan 0.000 0.414 270 V N 2.468 122.373 119.914 -0.014 0.000 2.378 270 V HA 0.425 4.545 4.120 -0.000 0.000 0.288 270 V C 0.266 176.359 176.094 -0.002 0.000 1.016 270 V CA -0.457 61.823 62.300 -0.033 0.000 0.840 270 V CB 1.476 33.256 31.823 -0.072 0.000 0.994 270 V HN 0.698 nan 8.190 nan 0.000 0.431 271 M N 3.250 122.852 119.600 0.004 0.000 2.228 271 M HA 0.644 5.123 4.480 -0.000 0.000 0.326 271 M C 0.866 177.187 176.300 0.035 0.000 1.122 271 M CA 0.736 56.054 55.300 0.030 0.000 1.161 271 M CB 0.876 33.504 32.600 0.048 0.000 1.437 271 M HN 0.933 nan 8.290 nan 0.000 0.465 272 G N 0.801 109.628 108.800 0.045 0.000 2.663 272 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.686 272 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.686 272 G C -0.024 174.901 174.900 0.041 0.000 1.246 272 G CA -0.077 45.048 45.100 0.042 0.000 0.795 272 G HN 0.918 nan 8.290 nan 0.000 0.627 273 E N 0.003 120.228 120.200 0.041 0.000 2.085 273 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 273 E C 2.441 179.071 176.600 0.050 0.000 0.994 273 E CA 1.367 57.795 56.400 0.048 0.000 0.801 273 E CB -0.058 29.669 29.700 0.045 0.000 0.743 273 E HN 0.545 nan 8.360 nan 0.000 0.453 274 R N -0.906 119.619 120.500 0.042 0.000 2.341 274 R HA -0.056 4.283 4.340 -0.000 0.000 0.213 274 R C 1.819 178.139 176.300 0.033 0.000 1.082 274 R CA 0.764 56.887 56.100 0.039 0.000 1.017 274 R CB 0.028 30.349 30.300 0.035 0.000 0.860 274 R HN 0.155 nan 8.270 nan 0.000 0.473 275 G N -0.125 108.692 108.800 0.028 0.000 3.159 275 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.232 275 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.232 275 G C 1.043 175.959 174.900 0.028 0.000 1.116 275 G CA -0.351 44.755 45.100 0.009 0.000 0.767 275 G HN 0.097 nan 8.290 nan 0.000 0.547 276 L N 0.923 122.178 121.223 0.053 0.000 2.051 276 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 276 L C 2.568 179.483 176.870 0.074 0.000 1.076 276 L CA 2.425 57.306 54.840 0.069 0.000 0.758 276 L CB -0.333 41.778 42.059 0.088 0.000 0.890 276 L HN 0.343 nan 8.230 nan 0.000 0.433 277 M N -1.042 118.613 119.600 0.091 0.000 2.195 277 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 277 M C 2.243 178.702 176.300 0.265 0.000 1.066 277 M CA 2.167 57.566 55.300 0.164 0.000 1.089 277 M CB -0.218 32.493 32.600 0.185 0.000 1.377 277 M HN 0.589 nan 8.290 nan 0.000 0.411 278 S N -0.053 115.717 115.700 0.118 0.000 2.447 278 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 278 S C 1.722 176.469 174.600 0.246 0.000 1.006 278 S CA 0.862 59.130 58.200 0.112 0.000 0.957 278 S CB -0.496 62.643 63.200 -0.100 0.000 0.773 278 S HN 0.660 nan 8.310 nan 0.000 0.507 279 R N 0.015 120.627 120.500 0.186 0.000 2.210 279 R HA 0.391 4.731 4.340 -0.000 0.000 0.203 279 R C 1.791 178.234 176.300 0.239 0.000 1.010 279 R CA 0.813 57.026 56.100 0.189 0.000 1.008 279 R CB -0.176 30.201 30.300 0.127 0.000 0.923 279 R HN 0.471 nan 8.270 nan 0.000 0.469 280 I N 0.325 121.020 120.570 0.208 0.000 2.628 280 I HA -0.086 4.084 4.170 -0.000 0.000 0.255 280 I C 1.391 177.657 176.117 0.249 0.000 1.119 280 I CA 0.725 62.151 61.300 0.210 0.000 1.448 280 I CB 0.180 38.118 38.000 -0.102 0.000 1.133 280 I HN 0.028 nan 8.210 nan 0.000 0.438 281 L N 0.346 121.714 121.223 0.241 0.000 2.645 281 L HA 0.052 4.392 4.340 -0.000 0.000 0.234 281 L C 2.012 178.938 176.870 0.093 0.000 1.165 281 L CA -0.365 54.547 54.840 0.121 0.000 0.944 281 L CB -0.615 41.552 42.059 0.180 0.000 1.149 281 L HN 0.369 nan 8.230 nan 0.000 0.446 282 C N -0.510 118.900 119.300 0.184 0.000 2.391 282 C HA -0.208 4.252 4.460 -0.000 0.000 0.276 282 C C 2.918 177.897 174.990 -0.018 0.000 1.217 282 C CA 1.322 60.444 59.018 0.174 0.000 1.766 282 C CB -0.773 27.123 27.740 0.260 0.000 2.046 282 C HN 0.566 nan 8.230 nan 0.000 0.475 283 S N -0.244 115.315 115.700 -0.234 0.000 2.474 283 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 283 S C 1.863 176.280 174.600 -0.306 0.000 0.997 283 S CA 1.049 59.075 58.200 -0.290 0.000 0.949 283 S CB -0.228 62.697 63.200 -0.459 0.000 0.766 283 S HN 0.749 nan 8.310 nan 0.000 0.517 284 K N 0.121 120.281 120.400 -0.400 0.000 2.242 284 K HA 0.115 4.435 4.320 -0.000 0.000 0.200 284 K C 0.189 176.320 176.600 -0.781 0.000 1.050 284 K CA 0.728 56.623 56.287 -0.653 0.000 0.981 284 K CB 0.042 31.980 32.500 -0.936 0.000 0.795 284 K HN 0.275 nan 8.250 nan 0.000 0.477 285 F N 0.404 120.206 119.950 -0.247 0.000 2.684 285 F HA 0.335 4.862 4.527 -0.000 0.000 0.298 285 F C 1.024 176.806 175.800 -0.030 0.000 1.120 285 F CA 0.179 58.076 58.000 -0.172 0.000 1.332 285 F CB 1.075 39.879 39.000 -0.326 0.000 0.986 285 F HN 0.262 nan 8.300 nan 0.000 0.524 286 G N 0.199 109.032 108.800 0.055 0.000 2.148 286 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 286 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 286 G C 0.763 175.735 174.900 0.120 0.000 0.981 286 G CA -0.169 44.974 45.100 0.072 0.000 0.670 286 G HN 0.764 nan 8.290 nan 0.000 0.528 287 G N -0.955 107.936 108.800 0.151 0.000 2.398 287 G HA2 0.396 4.356 3.960 -0.000 0.000 0.246 287 G HA3 0.396 4.356 3.960 -0.000 0.000 0.246 287 G C 0.482 175.479 174.900 0.162 0.000 1.289 287 G CA 0.439 45.647 45.100 0.179 0.000 0.869 287 G HN 0.606 nan 8.290 nan 0.000 0.543 288 Y N 2.450 122.780 120.300 0.049 0.000 2.337 288 Y HA 0.317 4.867 4.550 -0.000 0.000 0.293 288 Y C 0.802 176.703 175.900 0.002 0.000 1.123 288 Y CA 0.855 58.969 58.100 0.024 0.000 1.201 288 Y CB 0.229 38.696 38.460 0.012 0.000 1.011 288 Y HN 0.430 nan 8.280 nan 0.000 0.545 289 L N -1.015 120.252 121.223 0.075 0.000 2.710 289 L HA 0.491 4.830 4.340 -0.000 0.000 0.260 289 L C -1.524 175.308 176.870 -0.064 0.000 0.993 289 L CA -0.556 54.232 54.840 -0.088 0.000 0.877 289 L CB 2.204 44.175 42.059 -0.146 0.000 1.461 289 L HN -0.154 nan 8.230 nan 0.000 0.413 290 T N 1.122 115.569 114.554 -0.177 0.000 2.903 290 T HA 0.656 5.006 4.350 -0.000 0.000 0.299 290 T C -1.542 172.963 174.700 -0.326 0.000 1.093 290 T CA -0.256 61.776 62.100 -0.112 0.000 1.002 290 T CB 0.933 69.821 68.868 0.033 0.000 1.127 290 T HN 0.341 nan 8.240 nan 0.000 0.488 291 F N 1.692 121.619 119.950 -0.040 0.000 2.420 291 F HA 0.657 5.184 4.527 -0.000 0.000 0.342 291 F C 1.063 176.822 175.800 -0.069 0.000 1.113 291 F CA -0.354 57.612 58.000 -0.056 0.000 1.059 291 F CB 1.799 40.781 39.000 -0.029 0.000 1.128 291 F HN 0.650 nan 8.300 nan 0.000 0.475 292 G N 0.935 109.767 108.800 0.053 0.000 2.495 292 G HA2 0.547 4.507 3.960 -0.000 0.000 0.318 292 G HA3 0.547 4.507 3.960 -0.000 0.000 0.318 292 G C -0.782 174.138 174.900 0.034 0.000 1.257 292 G CA -0.820 44.288 45.100 0.012 0.000 0.962 292 G HN 0.635 nan 8.290 nan 0.000 0.483 293 T N 0.111 114.684 114.554 0.032 0.000 2.899 293 T HA 0.356 4.705 4.350 -0.000 0.000 0.284 293 T C 1.562 176.262 174.700 -0.000 0.000 1.004 293 T CA -0.765 61.341 62.100 0.011 0.000 1.043 293 T CB 1.361 70.230 68.868 0.002 0.000 1.013 293 T HN 0.222 nan 8.240 nan 0.000 0.518 294 L N 0.832 122.046 121.223 -0.015 0.000 2.093 294 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 294 L C 1.142 178.005 176.870 -0.012 0.000 1.085 294 L CA 1.159 55.990 54.840 -0.015 0.000 0.755 294 L CB -0.403 41.641 42.059 -0.026 0.000 0.904 294 L HN 0.887 nan 8.230 nan 0.000 0.435 295 D N -3.953 116.436 120.400 -0.017 0.000 2.653 295 D HA 0.041 4.681 4.640 -0.000 0.000 0.258 295 D C -0.034 176.255 176.300 -0.019 0.000 1.252 295 D CA -0.398 53.594 54.000 -0.014 0.000 0.777 295 D CB 1.417 42.205 40.800 -0.020 0.000 1.339 295 D HN -0.300 nan 8.370 nan 0.000 0.422 296 S N -0.253 115.438 115.700 -0.015 0.000 2.462 296 S HA -0.177 4.293 4.470 -0.000 0.000 0.243 296 S C 1.735 176.313 174.600 -0.035 0.000 1.003 296 S CA 1.771 59.959 58.200 -0.020 0.000 0.970 296 S CB -0.342 62.842 63.200 -0.026 0.000 0.762 296 S HN 0.606 nan 8.310 nan 0.000 0.510 297 S N 0.349 116.023 115.700 -0.044 0.000 2.517 297 S HA 0.205 4.675 4.470 -0.000 0.000 0.214 297 S C 0.594 175.142 174.600 -0.087 0.000 0.991 297 S CA -0.265 57.900 58.200 -0.059 0.000 0.906 297 S CB -0.064 63.104 63.200 -0.053 0.000 0.789 297 S HN 0.307 nan 8.310 nan 0.000 0.513 298 K N 2.226 122.572 120.400 -0.089 0.000 2.778 298 K HA 0.407 4.727 4.320 -0.000 0.000 0.238 298 K C -1.185 175.338 176.600 -0.128 0.000 1.233 298 K CA -0.228 55.980 56.287 -0.133 0.000 1.195 298 K CB 0.939 33.367 32.500 -0.119 0.000 1.743 298 K HN 0.154 nan 8.250 nan 0.000 0.418 299 V N 1.703 121.545 119.914 -0.121 0.000 2.465 299 V HA 0.023 4.143 4.120 -0.000 0.000 0.279 299 V C 1.193 177.209 176.094 -0.130 0.000 1.045 299 V CA -0.084 62.160 62.300 -0.093 0.000 0.938 299 V CB 1.540 33.331 31.823 -0.053 0.000 0.986 299 V HN 0.578 nan 8.190 nan 0.000 0.467 300 S N 2.641 118.268 115.700 -0.121 0.000 2.524 300 S HA 0.584 5.054 4.470 -0.000 0.000 0.215 300 S C 0.404 174.972 174.600 -0.054 0.000 0.986 300 S CA 0.327 58.454 58.200 -0.122 0.000 0.911 300 S CB 0.459 63.559 63.200 -0.168 0.000 0.805 300 S HN 1.246 nan 8.310 nan 0.000 0.501 301 A N 1.217 124.012 122.820 -0.042 0.000 2.577 301 A HA 0.708 5.027 4.320 -0.000 0.000 0.297 301 A C -3.347 174.249 177.584 0.019 0.000 1.060 301 A CA -1.495 50.548 52.037 0.010 0.000 0.697 301 A CB 0.423 19.419 19.000 -0.006 0.000 1.281 301 A HN 0.125 nan 8.150 nan 0.000 0.402 302 P HA 0.299 nan 4.420 nan 0.000 0.261 302 P C 1.156 178.480 177.300 0.041 0.000 1.173 302 P CA 2.351 65.475 63.100 0.039 0.000 0.760 302 P CB 0.588 32.319 31.700 0.052 0.000 0.783 303 G N 1.892 110.716 108.800 0.039 0.000 2.213 303 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.236 303 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.236 303 G C 0.096 175.037 174.900 0.067 0.000 0.991 303 G CA -0.434 44.698 45.100 0.053 0.000 0.629 303 G HN 0.575 nan 8.290 nan 0.000 0.517 304 Q N 1.960 121.795 119.800 0.058 0.000 2.300 304 Q HA 0.366 4.706 4.340 -0.000 0.000 0.280 304 Q C -1.798 174.255 176.000 0.088 0.000 1.033 304 Q CA -0.524 55.324 55.803 0.075 0.000 0.903 304 Q CB 1.032 29.805 28.738 0.059 0.000 1.195 304 Q HN 0.445 nan 8.270 nan 0.000 0.386 305 P HA 0.110 nan 4.420 nan 0.000 0.284 305 P C -0.634 176.738 177.300 0.119 0.000 1.287 305 P CA -0.497 62.702 63.100 0.164 0.000 0.824 305 P CB 0.851 32.696 31.700 0.242 0.000 1.180 306 T N -2.656 111.977 114.554 0.132 0.000 2.899 306 T HA 0.319 4.669 4.350 -0.000 0.000 0.284 306 T C 1.640 176.378 174.700 0.063 0.000 1.004 306 T CA -0.612 61.535 62.100 0.079 0.000 1.043 306 T CB 0.087 68.997 68.868 0.071 0.000 1.013 306 T HN 0.222 nan 8.240 nan 0.000 0.518 307 I N 0.624 121.206 120.570 0.021 0.000 2.226 307 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 307 I C 2.827 178.951 176.117 0.012 0.000 1.100 307 I CA 1.423 62.715 61.300 -0.014 0.000 1.374 307 I CB -0.389 37.596 38.000 -0.025 0.000 1.057 307 I HN 0.815 nan 8.210 nan 0.000 0.413 308 K N 1.047 121.465 120.400 0.030 0.000 2.020 308 K HA -0.260 4.059 4.320 -0.000 0.000 0.212 308 K C 1.714 178.347 176.600 0.055 0.000 1.050 308 K CA 2.261 58.570 56.287 0.037 0.000 0.929 308 K CB -0.106 32.418 32.500 0.040 0.000 0.714 308 K HN 0.206 nan 8.250 nan 0.000 0.443 309 D N 0.810 121.264 120.400 0.090 0.000 2.144 309 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 309 D C 2.026 178.430 176.300 0.172 0.000 0.984 309 D CA 0.913 54.969 54.000 0.094 0.000 0.834 309 D CB -0.173 40.741 40.800 0.189 0.000 0.955 309 D HN 0.238 nan 8.370 nan 0.000 0.465 310 L N 0.054 121.416 121.223 0.233 0.000 2.012 310 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 310 L C 2.512 179.522 176.870 0.234 0.000 1.073 310 L CA 0.901 55.904 54.840 0.270 0.000 0.748 310 L CB -0.317 41.705 42.059 -0.061 0.000 0.891 310 L HN 0.060 nan 8.230 nan 0.000 0.431 311 L N -0.946 120.346 121.223 0.114 0.000 2.068 311 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 311 L C 1.889 178.806 176.870 0.077 0.000 1.076 311 L CA 0.989 55.895 54.840 0.110 0.000 0.753 311 L CB -0.363 41.729 42.059 0.055 0.000 0.910 311 L HN 0.253 nan 8.230 nan 0.000 0.439 312 D N -0.953 119.464 120.400 0.029 0.000 2.355 312 D HA 0.015 4.655 4.640 -0.000 0.000 0.206 312 D C 2.030 178.263 176.300 -0.111 0.000 1.010 312 D CA 0.528 54.506 54.000 -0.036 0.000 0.875 312 D CB 0.671 41.450 40.800 -0.035 0.000 0.966 312 D HN 0.201 nan 8.370 nan 0.000 0.512 313 L N -0.930 120.215 121.223 -0.130 0.000 2.269 313 L HA 0.044 4.384 4.340 -0.000 0.000 0.200 313 L C 1.406 178.102 176.870 -0.289 0.000 1.069 313 L CA 0.557 55.214 54.840 -0.304 0.000 0.804 313 L CB 0.128 41.901 42.059 -0.477 0.000 0.987 313 L HN -0.076 nan 8.230 nan 0.000 0.468 314 Y N 0.150 120.486 120.300 0.060 0.000 2.466 314 Y HA 0.155 4.705 4.550 -0.000 0.000 0.272 314 Y C 0.436 176.410 175.900 0.124 0.000 1.169 314 Y CA -0.051 58.115 58.100 0.110 0.000 1.285 314 Y CB -0.247 38.320 38.460 0.179 0.000 1.078 314 Y HN 0.278 nan 8.280 nan 0.000 0.523 315 N N -0.147 118.675 118.700 0.204 0.000 2.714 315 N HA -0.294 4.446 4.740 -0.000 0.000 0.253 315 N C 0.633 176.264 175.510 0.200 0.000 1.024 315 N CA 0.222 53.366 53.050 0.157 0.000 0.726 315 N CB -1.413 37.140 38.487 0.111 0.000 0.908 315 N HN 0.337 nan 8.380 nan 0.000 0.542 316 F N 1.220 121.230 119.950 0.101 0.000 2.087 316 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 316 F C 2.364 178.179 175.800 0.026 0.000 1.100 316 F CA 1.561 59.604 58.000 0.071 0.000 1.226 316 F CB 0.127 39.170 39.000 0.070 0.000 0.983 316 F HN 0.191 nan 8.300 nan 0.000 0.479 317 R N 0.293 120.897 120.500 0.174 0.000 2.193 317 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 317 R C 2.018 178.292 176.300 -0.044 0.000 1.110 317 R CA 1.111 57.242 56.100 0.051 0.000 0.988 317 R CB -0.797 29.552 30.300 0.081 0.000 0.871 317 R HN 0.390 nan 8.270 nan 0.000 0.458 318 R N 0.036 120.516 120.500 -0.033 0.000 2.297 318 R HA 0.239 4.579 4.340 -0.000 0.000 0.197 318 R C 0.462 176.695 176.300 -0.112 0.000 0.943 318 R CA -0.001 56.067 56.100 -0.054 0.000 1.038 318 R CB 0.190 30.487 30.300 -0.005 0.000 0.957 318 R HN 0.091 nan 8.270 nan 0.000 0.484 319 I N 0.942 121.406 120.570 -0.177 0.000 2.496 319 I HA 0.185 4.355 4.170 -0.000 0.000 0.285 319 I C 0.765 176.714 176.117 -0.279 0.000 1.080 319 I CA -0.053 61.103 61.300 -0.240 0.000 1.404 319 I CB 1.235 39.043 38.000 -0.320 0.000 1.403 319 I HN 0.077 nan 8.210 nan 0.000 0.539 320 G N 5.646 114.282 108.800 -0.273 0.000 2.766 320 G HA2 0.439 4.399 3.960 -0.000 0.000 0.288 320 G HA3 0.439 4.399 3.960 -0.000 0.000 0.288 320 G C -2.570 172.134 174.900 -0.327 0.000 1.408 320 G CA -0.870 44.067 45.100 -0.271 0.000 0.852 320 G HN 0.262 nan 8.290 nan 0.000 0.487 321 P HA -0.047 nan 4.420 nan 0.000 0.217 321 P C 0.715 177.817 177.300 -0.331 0.000 1.148 321 P CA 1.218 64.118 63.100 -0.334 0.000 0.828 321 P CB 0.307 31.869 31.700 -0.230 0.000 0.783 322 D N -2.438 117.798 120.400 -0.274 0.000 2.349 322 D HA 0.027 4.666 4.640 -0.000 0.000 0.214 322 D C 0.236 176.361 176.300 -0.292 0.000 1.063 322 D CA 0.503 54.348 54.000 -0.257 0.000 0.847 322 D CB -0.298 40.378 40.800 -0.206 0.000 0.933 322 D HN 0.138 nan 8.370 nan 0.000 0.513 323 T N 1.947 116.313 114.554 -0.314 0.000 2.902 323 T HA 0.045 4.395 4.350 -0.000 0.000 0.301 323 T C 0.635 175.136 174.700 -0.332 0.000 1.012 323 T CA 0.219 62.135 62.100 -0.308 0.000 1.151 323 T CB 1.104 69.812 68.868 -0.266 0.000 0.946 323 T HN -0.085 nan 8.240 nan 0.000 0.542 324 K N 2.110 122.329 120.400 -0.302 0.000 2.174 324 K HA 0.458 4.778 4.320 -0.000 0.000 0.275 324 K C -0.487 175.934 176.600 -0.300 0.000 1.015 324 K CA -0.655 55.435 56.287 -0.328 0.000 0.933 324 K CB 1.059 33.413 32.500 -0.245 0.000 1.025 324 K HN 0.286 nan 8.250 nan 0.000 0.463 325 V N 3.896 123.481 119.914 -0.548 0.000 2.472 325 V HA 0.352 4.472 4.120 -0.000 0.000 0.290 325 V C -0.820 174.877 176.094 -0.661 0.000 1.037 325 V CA -0.659 61.380 62.300 -0.434 0.000 0.908 325 V CB 0.313 31.810 31.823 -0.543 0.000 0.985 325 V HN 0.600 nan 8.190 nan 0.000 0.454 326 Y N 1.571 121.745 120.300 -0.209 0.000 2.605 326 Y HA 0.892 5.442 4.550 -0.000 0.000 0.343 326 Y C 0.556 176.101 175.900 -0.592 0.000 1.036 326 Y CA -0.561 57.270 58.100 -0.448 0.000 1.065 326 Y CB 2.716 40.917 38.460 -0.432 0.000 1.288 326 Y HN 0.837 nan 8.280 nan 0.000 0.481 327 G N 0.350 108.782 108.800 -0.614 0.000 2.547 327 G HA2 0.445 4.405 3.960 -0.000 0.000 0.291 327 G HA3 0.445 4.405 3.960 -0.000 0.000 0.291 327 G C -2.504 172.219 174.900 -0.296 0.000 1.471 327 G CA -0.822 43.856 45.100 -0.703 0.000 0.798 327 G HN 0.491 nan 8.290 nan 0.000 0.504 328 I N 0.977 121.503 120.570 -0.074 0.000 2.304 328 I HA 0.547 4.717 4.170 -0.000 0.000 0.291 328 I C -0.193 175.990 176.117 0.111 0.000 1.018 328 I CA -1.234 60.197 61.300 0.218 0.000 1.260 328 I CB 0.337 38.547 38.000 0.350 0.000 1.390 328 I HN 0.344 nan 8.210 nan 0.000 0.475 329 I N 8.135 128.760 120.570 0.091 0.000 2.325 329 I HA 0.663 4.833 4.170 -0.000 0.000 0.291 329 I C 0.716 176.906 176.117 0.120 0.000 1.019 329 I CA 0.012 61.282 61.300 -0.049 0.000 1.302 329 I CB 0.679 38.569 38.000 -0.182 0.000 1.401 329 I HN 0.795 nan 8.210 nan 0.000 0.485 330 G N 5.278 114.161 108.800 0.138 0.000 2.495 330 G HA2 0.505 4.465 3.960 -0.000 0.000 0.294 330 G HA3 0.505 4.465 3.960 -0.000 0.000 0.294 330 G C -1.718 173.286 174.900 0.174 0.000 1.397 330 G CA -0.651 44.581 45.100 0.221 0.000 0.790 330 G HN 0.484 nan 8.290 nan 0.000 0.486 331 K N 1.148 121.613 120.400 0.109 0.000 2.707 331 K HA 0.336 4.656 4.320 -0.000 0.000 0.283 331 K C -2.758 173.879 176.600 0.062 0.000 1.105 331 K CA -1.050 55.288 56.287 0.086 0.000 1.018 331 K CB 2.327 34.871 32.500 0.073 0.000 1.315 331 K HN 0.472 nan 8.250 nan 0.000 0.495 332 P HA 0.085 nan 4.420 nan 0.000 0.274 332 P C -0.120 177.338 177.300 0.264 0.000 1.256 332 P CA -0.482 62.727 63.100 0.181 0.000 0.795 332 P CB 1.718 33.537 31.700 0.198 0.000 1.038 333 V N -0.175 119.866 119.914 0.211 0.000 3.392 333 V HA -0.068 4.052 4.120 -0.000 0.000 0.285 333 V C 2.079 178.209 176.094 0.059 0.000 1.582 333 V CA 1.113 63.481 62.300 0.115 0.000 1.034 333 V CB -0.317 31.601 31.823 0.159 0.000 0.846 333 V HN 0.718 nan 8.190 nan 0.000 0.431 334 S N 0.458 116.240 115.700 0.136 0.000 2.442 334 S HA -0.245 4.225 4.470 -0.000 0.000 0.236 334 S C 1.770 176.435 174.600 0.107 0.000 1.007 334 S CA 1.634 59.900 58.200 0.110 0.000 0.965 334 S CB -0.686 62.645 63.200 0.219 0.000 0.773 334 S HN 0.914 nan 8.310 nan 0.000 0.504 335 H N 0.312 119.430 119.070 0.080 0.000 2.548 335 H HA 0.296 4.852 4.556 -0.000 0.000 0.268 335 H C 0.788 176.144 175.328 0.047 0.000 0.975 335 H CA 0.610 56.595 56.048 -0.105 0.000 1.195 335 H CB -0.717 28.912 29.762 -0.222 0.000 1.397 335 H HN 0.416 nan 8.280 nan 0.000 0.572 336 S N 1.088 116.585 115.700 -0.340 0.000 2.537 336 S HA 0.040 4.510 4.470 -0.000 0.000 0.286 336 S C 0.832 175.554 174.600 0.203 0.000 1.299 336 S CA -0.400 57.791 58.200 -0.016 0.000 1.067 336 S CB 0.535 63.776 63.200 0.068 0.000 0.864 336 S HN 0.529 nan 8.310 nan 0.000 0.494 337 K N 3.115 123.616 120.400 0.168 0.000 2.372 337 K HA 0.154 4.474 4.320 -0.000 0.000 0.200 337 K C 1.699 178.376 176.600 0.127 0.000 1.022 337 K CA -0.059 56.290 56.287 0.103 0.000 1.125 337 K CB 0.209 32.757 32.500 0.080 0.000 0.855 337 K HN 0.477 nan 8.250 nan 0.000 0.524 338 S N 1.888 117.717 115.700 0.216 0.000 2.370 338 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 338 S C -1.083 173.309 174.600 -0.346 0.000 1.033 338 S CA 1.205 59.436 58.200 0.051 0.000 1.011 338 S CB -0.559 62.787 63.200 0.243 0.000 0.852 338 S HN 0.206 nan 8.310 nan 0.000 0.457 339 P HA 0.007 nan 4.420 nan 0.000 0.220 339 P C 1.161 178.277 177.300 -0.306 0.000 1.148 339 P CA 0.803 63.790 63.100 -0.188 0.000 0.803 339 P CB -0.046 31.525 31.700 -0.215 0.000 0.782 340 I N -0.632 119.752 120.570 -0.310 0.000 2.163 340 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 340 I C 2.333 178.274 176.117 -0.292 0.000 1.081 340 I CA 1.496 62.632 61.300 -0.274 0.000 1.353 340 I CB -0.878 37.036 38.000 -0.143 0.000 1.054 340 I HN -0.104 nan 8.210 nan 0.000 0.407 341 V N -1.329 118.400 119.914 -0.308 0.000 2.358 341 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 341 V C 2.449 178.184 176.094 -0.599 0.000 1.047 341 V CA 1.651 63.687 62.300 -0.439 0.000 1.035 341 V CB -1.169 30.430 31.823 -0.372 0.000 0.658 341 V HN 0.363 nan 8.190 nan 0.000 0.452 342 H N 0.975 119.757 119.070 -0.480 0.000 2.389 342 H HA 0.012 4.568 4.556 -0.000 0.000 0.299 342 H C 2.371 177.198 175.328 -0.836 0.000 1.081 342 H CA 1.717 57.345 56.048 -0.700 0.000 1.345 342 H CB -0.396 28.752 29.762 -1.024 0.000 1.393 342 H HN 0.478 nan 8.280 nan 0.000 0.520 343 N N 0.904 119.353 118.700 -0.418 0.000 2.188 343 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 343 N C 1.963 177.379 175.510 -0.157 0.000 1.018 343 N CA 0.579 53.508 53.050 -0.202 0.000 0.858 343 N CB 0.019 38.459 38.487 -0.078 0.000 0.989 343 N HN 0.408 nan 8.380 nan 0.000 0.426 344 Q N 0.845 120.484 119.800 -0.268 0.000 2.050 344 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 344 Q C 2.079 177.970 176.000 -0.182 0.000 0.980 344 Q CA 1.181 56.826 55.803 -0.262 0.000 0.840 344 Q CB -0.431 28.093 28.738 -0.357 0.000 0.898 344 Q HN 0.345 nan 8.270 nan 0.000 0.424 345 A N 0.444 123.101 122.820 -0.271 0.000 1.877 345 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 345 A C 2.043 179.785 177.584 0.263 0.000 1.186 345 A CA 1.130 53.072 52.037 -0.158 0.000 0.620 345 A CB -1.057 17.747 19.000 -0.326 0.000 0.822 345 A HN 0.370 nan 8.150 nan 0.000 0.443 346 F N -0.128 119.935 119.950 0.188 0.000 2.126 346 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 346 F C 2.530 178.436 175.800 0.177 0.000 1.096 346 F CA 1.554 59.712 58.000 0.263 0.000 1.255 346 F CB -0.112 39.047 39.000 0.264 0.000 0.997 346 F HN 0.254 nan 8.300 nan 0.000 0.479 347 K N 0.603 121.171 120.400 0.280 0.000 2.026 347 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 347 K C 2.141 178.808 176.600 0.111 0.000 1.048 347 K CA 1.710 58.084 56.287 0.145 0.000 0.929 347 K CB -0.175 32.358 32.500 0.056 0.000 0.713 347 K HN 0.038 nan 8.250 nan 0.000 0.439 348 S N 0.518 116.267 115.700 0.083 0.000 2.374 348 S HA -0.139 4.330 4.470 -0.000 0.000 0.227 348 S C 1.676 176.330 174.600 0.090 0.000 1.037 348 S CA 1.561 59.794 58.200 0.054 0.000 1.024 348 S CB -0.153 63.046 63.200 -0.001 0.000 0.861 348 S HN 0.446 nan 8.310 nan 0.000 0.456 349 V N -0.724 119.288 119.914 0.162 0.000 3.514 349 V HA 0.337 4.457 4.120 -0.000 0.000 0.301 349 V C 0.222 176.423 176.094 0.179 0.000 1.346 349 V CA 0.400 62.808 62.300 0.180 0.000 1.156 349 V CB -0.882 31.104 31.823 0.271 0.000 1.029 349 V HN 0.331 nan 8.190 nan 0.000 0.428 350 D N 0.306 120.800 120.400 0.158 0.000 2.689 350 D HA -0.283 4.356 4.640 -0.000 0.000 0.237 350 D C -0.534 175.836 176.300 0.116 0.000 1.148 350 D CA 0.705 54.771 54.000 0.110 0.000 0.656 350 D CB -1.578 39.257 40.800 0.058 0.000 1.050 350 D HN 0.736 nan 8.370 nan 0.000 0.426 351 F N 1.070 121.016 119.950 -0.006 0.000 2.411 351 F HA 0.401 4.928 4.527 -0.000 0.000 0.350 351 F C 0.565 176.256 175.800 -0.181 0.000 1.114 351 F CA -1.198 56.719 58.000 -0.139 0.000 1.135 351 F CB 0.692 39.530 39.000 -0.269 0.000 1.120 351 F HN -0.076 nan 8.300 nan 0.000 0.495 352 N N 4.322 122.561 118.700 -0.768 0.000 2.819 352 N HA 0.304 5.043 4.740 -0.000 0.000 0.284 352 N C -0.420 174.683 175.510 -0.679 0.000 1.196 352 N CA 0.203 52.910 53.050 -0.572 0.000 1.114 352 N CB -0.190 38.025 38.487 -0.453 0.000 1.437 352 N HN 0.818 nan 8.380 nan 0.000 0.518 353 G N -0.534 108.026 108.800 -0.399 0.000 2.672 353 G HA2 0.623 4.583 3.960 -0.000 0.000 0.292 353 G HA3 0.623 4.583 3.960 -0.000 0.000 0.292 353 G C -1.715 173.374 174.900 0.316 0.000 1.375 353 G CA -0.484 44.548 45.100 -0.113 0.000 0.890 353 G HN 0.254 nan 8.290 nan 0.000 0.476 354 V N 0.071 120.250 119.914 0.442 0.000 2.888 354 V HA 0.777 4.897 4.120 -0.000 0.000 0.309 354 V C -2.054 174.351 176.094 0.517 0.000 1.114 354 V CA -0.922 61.639 62.300 0.435 0.000 0.940 354 V CB 2.051 33.992 31.823 0.197 0.000 1.021 354 V HN 0.839 nan 8.190 nan 0.000 0.426 355 Y N 5.613 126.092 120.300 0.299 0.000 2.350 355 Y HA 0.748 5.298 4.550 -0.000 0.000 0.338 355 Y C -0.299 175.723 175.900 0.203 0.000 0.961 355 Y CA -0.218 58.014 58.100 0.220 0.000 1.100 355 Y CB 1.887 40.387 38.460 0.067 0.000 1.179 355 Y HN 0.707 nan 8.280 nan 0.000 0.454 356 V N 1.384 121.362 119.914 0.106 0.000 3.155 356 V HA 0.609 4.729 4.120 -0.000 0.000 0.313 356 V C -1.083 175.043 176.094 0.054 0.000 1.162 356 V CA -1.123 61.281 62.300 0.172 0.000 1.048 356 V CB 1.687 33.591 31.823 0.134 0.000 1.092 356 V HN 0.801 nan 8.190 nan 0.000 0.447 357 H N 1.008 120.195 119.070 0.195 0.000 2.610 357 H HA 0.707 5.263 4.556 -0.000 0.000 0.336 357 H C -0.554 174.812 175.328 0.064 0.000 1.087 357 H CA -0.061 56.077 56.048 0.149 0.000 1.405 357 H CB 1.091 30.960 29.762 0.178 0.000 1.460 357 H HN 0.582 nan 8.280 nan 0.000 0.538 358 L N 4.201 125.488 121.223 0.106 0.000 2.417 358 L HA 0.174 4.514 4.340 -0.000 0.000 0.259 358 L C -0.925 175.883 176.870 -0.104 0.000 1.023 358 L CA -0.765 54.032 54.840 -0.072 0.000 0.901 358 L CB 0.953 42.849 42.059 -0.272 0.000 1.227 358 L HN 0.334 nan 8.230 nan 0.000 0.454 359 L N 4.678 125.885 121.223 -0.027 0.000 2.433 359 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 359 L C -0.355 176.474 176.870 -0.068 0.000 1.120 359 L CA 0.370 55.209 54.840 -0.002 0.000 0.879 359 L CB 0.767 42.852 42.059 0.044 0.000 1.232 359 L HN 0.212 nan 8.230 nan 0.000 0.454 360 V N 6.142 126.003 119.914 -0.089 0.000 2.417 360 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 360 V C 0.472 176.601 176.094 0.058 0.000 1.024 360 V CA -0.517 61.700 62.300 -0.139 0.000 0.861 360 V CB 1.390 32.936 31.823 -0.462 0.000 0.985 360 V HN 0.699 nan 8.190 nan 0.000 0.436 361 D N 2.277 122.702 120.400 0.042 0.000 2.269 361 D HA 0.020 4.660 4.640 -0.000 0.000 0.220 361 D C 0.560 176.919 176.300 0.099 0.000 0.962 361 D CA 0.828 54.883 54.000 0.091 0.000 0.884 361 D CB 0.427 41.263 40.800 0.059 0.000 1.023 361 D HN 0.481 nan 8.370 nan 0.000 0.484 362 N N 1.648 120.370 118.700 0.037 0.000 2.483 362 N HA 0.025 4.765 4.740 -0.000 0.000 0.267 362 N C 0.732 176.218 175.510 -0.040 0.000 0.998 362 N CA -0.272 52.792 53.050 0.023 0.000 0.918 362 N CB 1.641 40.147 38.487 0.031 0.000 1.215 362 N HN -0.068 nan 8.380 nan 0.000 0.500 363 L N 4.300 125.444 121.223 -0.132 0.000 2.046 363 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 363 L C 1.456 178.311 176.870 -0.025 0.000 1.077 363 L CA 1.674 56.400 54.840 -0.189 0.000 0.747 363 L CB -0.470 41.432 42.059 -0.261 0.000 0.896 363 L HN 0.369 nan 8.230 nan 0.000 0.432 364 V N 0.507 120.414 119.914 -0.012 0.000 2.295 364 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 364 V C 2.898 178.984 176.094 -0.013 0.000 1.049 364 V CA 1.885 64.181 62.300 -0.006 0.000 1.024 364 V CB -1.006 30.815 31.823 -0.004 0.000 0.648 364 V HN 0.682 nan 8.190 nan 0.000 0.447 365 S N -0.114 115.585 115.700 -0.001 0.000 2.402 365 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 365 S C 1.922 176.507 174.600 -0.024 0.000 1.021 365 S CA 1.421 59.609 58.200 -0.020 0.000 0.974 365 S CB -0.726 62.470 63.200 -0.006 0.000 0.800 365 S HN 0.531 nan 8.310 nan 0.000 0.484 366 F N 2.651 122.541 119.950 -0.100 0.000 2.084 366 F HA 0.134 4.661 4.527 -0.000 0.000 0.296 366 F C 1.920 177.670 175.800 -0.084 0.000 1.111 366 F CA 1.193 59.144 58.000 -0.080 0.000 1.224 366 F CB -0.478 38.428 39.000 -0.156 0.000 0.991 366 F HN 0.124 nan 8.300 nan 0.000 0.471 367 L N -0.028 121.070 121.223 -0.209 0.000 2.131 367 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 367 L C 2.463 179.189 176.870 -0.241 0.000 1.092 367 L CA 1.429 56.110 54.840 -0.265 0.000 0.759 367 L CB -0.811 41.208 42.059 -0.066 0.000 0.903 367 L HN 0.290 nan 8.230 nan 0.000 0.435 368 Q N -0.479 119.203 119.800 -0.196 0.000 2.172 368 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 368 Q C 2.394 178.225 176.000 -0.282 0.000 0.964 368 Q CA 1.305 57.000 55.803 -0.181 0.000 0.855 368 Q CB -0.112 28.549 28.738 -0.129 0.000 0.918 368 Q HN 0.551 nan 8.270 nan 0.000 0.444 369 A N -0.138 122.437 122.820 -0.409 0.000 2.016 369 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 369 A C 0.266 177.243 177.584 -1.012 0.000 1.162 369 A CA 0.769 52.413 52.037 -0.656 0.000 0.662 369 A CB 0.026 18.608 19.000 -0.696 0.000 0.812 369 A HN 0.344 nan 8.150 nan 0.000 0.450 370 Y N 0.061 119.986 120.300 -0.625 0.000 2.562 370 Y HA 0.277 4.827 4.550 -0.000 0.000 0.363 370 Y C 1.209 176.906 175.900 -0.339 0.000 0.991 370 Y CA -0.024 57.645 58.100 -0.718 0.000 1.121 370 Y CB 0.780 38.429 38.460 -1.351 0.000 1.159 370 Y HN 0.262 nan 8.280 nan 0.000 0.651 371 S N -1.923 113.721 115.700 -0.093 0.000 2.540 371 S HA 0.070 4.540 4.470 -0.000 0.000 0.218 371 S C 0.780 175.436 174.600 0.095 0.000 0.977 371 S CA -0.163 58.048 58.200 0.019 0.000 0.918 371 S CB -0.207 62.974 63.200 -0.033 0.000 0.806 371 S HN 0.370 nan 8.310 nan 0.000 0.496 372 S N 2.138 117.936 115.700 0.162 0.000 2.589 372 S HA 0.241 4.711 4.470 -0.000 0.000 0.265 372 S C 1.227 175.929 174.600 0.171 0.000 1.342 372 S CA 0.001 58.305 58.200 0.174 0.000 1.005 372 S CB 0.791 64.130 63.200 0.232 0.000 0.909 372 S HN 0.542 nan 8.310 nan 0.000 0.555 373 S N -0.348 115.396 115.700 0.072 0.000 2.547 373 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 373 S C 0.784 175.335 174.600 -0.082 0.000 0.980 373 S CA 0.641 58.839 58.200 -0.002 0.000 0.941 373 S CB -0.533 62.651 63.200 -0.027 0.000 0.763 373 S HN 0.722 nan 8.310 nan 0.000 0.532 374 D N 0.999 121.359 120.400 -0.065 0.000 2.224 374 D HA 0.070 4.710 4.640 -0.000 0.000 0.205 374 D C -0.432 175.476 176.300 -0.652 0.000 0.965 374 D CA 0.698 54.495 54.000 -0.338 0.000 0.852 374 D CB -0.128 40.480 40.800 -0.320 0.000 0.947 374 D HN 0.510 nan 8.370 nan 0.000 0.494 375 F N 0.043 119.926 119.950 -0.112 0.000 2.291 375 F HA 0.413 4.940 4.527 -0.000 0.000 0.368 375 F C 1.133 176.676 175.800 -0.427 0.000 1.085 375 F CA -0.726 57.134 58.000 -0.234 0.000 1.165 375 F CB 1.307 40.343 39.000 0.060 0.000 1.429 375 F HN -0.210 nan 8.300 nan 0.000 0.503 376 A N 2.195 124.632 122.820 -0.639 0.000 2.072 376 A HA 0.545 4.865 4.320 -0.000 0.000 0.216 376 A C 1.166 178.426 177.584 -0.540 0.000 1.156 376 A CA 0.890 52.582 52.037 -0.574 0.000 0.701 376 A CB -0.252 18.392 19.000 -0.592 0.000 0.816 376 A HN 0.764 nan 8.150 nan 0.000 0.458 377 G N -2.179 106.050 108.800 -0.951 0.000 2.547 377 G HA2 0.523 4.483 3.960 -0.000 0.000 0.291 377 G HA3 0.523 4.483 3.960 -0.000 0.000 0.291 377 G C -1.472 172.906 174.900 -0.869 0.000 1.471 377 G CA -0.673 44.104 45.100 -0.538 0.000 0.798 377 G HN 0.149 nan 8.290 nan 0.000 0.504 378 F N -0.186 119.946 119.950 0.303 0.000 2.619 378 F HA 0.697 5.224 4.527 -0.000 0.000 0.308 378 F C 0.323 176.387 175.800 0.440 0.000 1.097 378 F CA -0.882 57.267 58.000 0.249 0.000 0.953 378 F CB 2.515 41.639 39.000 0.206 0.000 1.287 378 F HN 0.400 nan 8.300 nan 0.000 0.446 379 S N 0.480 116.537 115.700 0.595 0.000 2.565 379 S HA 0.688 5.158 4.470 -0.000 0.000 0.290 379 S C -1.109 173.714 174.600 0.370 0.000 1.150 379 S CA -0.543 57.963 58.200 0.510 0.000 1.058 379 S CB 1.311 64.850 63.200 0.564 0.000 1.032 379 S HN 0.642 nan 8.310 nan 0.000 0.510 380 C N 1.898 121.375 119.300 0.295 0.000 2.396 380 C HA 0.821 5.281 4.460 -0.000 0.000 0.321 380 C C 0.748 175.873 174.990 0.225 0.000 1.233 380 C CA -0.651 58.510 59.018 0.238 0.000 1.440 380 C CB 0.962 28.828 27.740 0.209 0.000 2.110 380 C HN 0.915 nan 8.230 nan 0.000 0.473 381 T N 1.304 115.993 114.554 0.226 0.000 2.724 381 T HA 0.564 4.914 4.350 -0.000 0.000 0.274 381 T C -0.115 174.677 174.700 0.154 0.000 0.984 381 T CA -0.588 61.640 62.100 0.213 0.000 1.024 381 T CB 0.889 69.920 68.868 0.272 0.000 1.320 381 T HN 0.708 nan 8.240 nan 0.000 0.555 382 I N 3.512 124.159 120.570 0.127 0.000 3.089 382 I HA 0.090 4.260 4.170 -0.000 0.000 0.321 382 I C -1.847 174.225 176.117 -0.073 0.000 1.222 382 I CA -0.516 60.805 61.300 0.036 0.000 1.452 382 I CB 1.046 39.076 38.000 0.051 0.000 1.321 382 I HN 0.429 nan 8.210 nan 0.000 0.539 383 P HA 0.230 nan 4.420 nan 0.000 0.298 383 P C -0.277 176.885 177.300 -0.231 0.000 1.802 383 P CA -0.083 62.890 63.100 -0.210 0.000 1.331 383 P CB 0.303 31.883 31.700 -0.200 0.000 1.699 384 H N -0.226 118.873 119.070 0.048 0.000 2.529 384 H HA 0.265 4.821 4.556 -0.000 0.000 0.277 384 H C 1.379 176.736 175.328 0.049 0.000 1.004 384 H CA 0.025 56.096 56.048 0.038 0.000 1.167 384 H CB 0.354 30.128 29.762 0.019 0.000 1.445 384 H HN 0.248 nan 8.280 nan 0.000 0.554 385 K N 0.873 121.356 120.400 0.138 0.000 2.097 385 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 385 K C 1.654 178.305 176.600 0.085 0.000 1.049 385 K CA 1.198 57.552 56.287 0.112 0.000 0.933 385 K CB 0.264 32.818 32.500 0.091 0.000 0.717 385 K HN 0.417 nan 8.250 nan 0.000 0.442 386 E N 0.354 120.598 120.200 0.072 0.000 2.051 386 E HA -0.092 4.258 4.350 -0.000 0.000 0.189 386 E C 2.101 178.737 176.600 0.060 0.000 0.979 386 E CA 0.743 57.174 56.400 0.052 0.000 0.803 386 E CB -0.039 29.685 29.700 0.039 0.000 0.761 386 E HN 0.287 nan 8.360 nan 0.000 0.451 387 A N 1.689 124.561 122.820 0.086 0.000 1.933 387 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 387 A C 2.387 180.011 177.584 0.067 0.000 1.175 387 A CA 1.637 53.724 52.037 0.083 0.000 0.628 387 A CB -0.584 18.492 19.000 0.126 0.000 0.814 387 A HN 0.283 nan 8.150 nan 0.000 0.444 388 A N -0.246 122.624 122.820 0.084 0.000 1.883 388 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 388 A C 2.119 179.737 177.584 0.057 0.000 1.186 388 A CA 1.802 53.885 52.037 0.077 0.000 0.624 388 A CB -0.707 18.358 19.000 0.108 0.000 0.822 388 A HN 0.772 nan 8.150 nan 0.000 0.444 389 L N -0.275 120.975 121.223 0.044 0.000 2.043 389 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 389 L C 1.401 178.278 176.870 0.012 0.000 1.075 389 L CA 1.602 56.453 54.840 0.018 0.000 0.752 389 L CB -0.698 41.366 42.059 0.007 0.000 0.891 389 L HN 0.413 nan 8.230 nan 0.000 0.432 393 D N 0.538 120.941 120.400 0.004 0.000 2.194 393 D HA 0.004 4.644 4.640 -0.000 0.000 0.204 393 D C 0.340 176.629 176.300 -0.019 0.000 0.964 393 D CA 1.269 55.267 54.000 -0.002 0.000 0.846 393 D CB 0.556 41.360 40.800 0.007 0.000 0.962 393 D HN 0.699 nan 8.370 nan 0.000 0.490 394 E N 0.134 120.311 120.200 -0.038 0.000 2.292 394 E HA 0.463 4.813 4.350 -0.000 0.000 0.272 394 E C -1.177 175.350 176.600 -0.122 0.000 0.881 394 E CA -0.546 55.814 56.400 -0.066 0.000 0.754 394 E CB 3.382 33.046 29.700 -0.059 0.000 1.201 394 E HN -0.255 nan 8.360 nan 0.000 0.425 395 V N 2.171 122.012 119.914 -0.121 0.000 2.487 395 V HA 0.133 4.253 4.120 -0.000 0.000 0.298 395 V C -0.302 175.690 176.094 -0.169 0.000 1.028 395 V CA -0.888 61.315 62.300 -0.161 0.000 0.860 395 V CB 1.785 33.547 31.823 -0.102 0.000 0.991 395 V HN 0.718 nan 8.190 nan 0.000 0.427 396 D N 5.986 126.233 120.400 -0.256 0.000 2.506 396 D HA 0.084 4.724 4.640 -0.000 0.000 0.234 396 D C -1.468 174.783 176.300 -0.081 0.000 1.143 396 D CA -0.702 53.202 54.000 -0.159 0.000 0.871 396 D CB 1.473 42.195 40.800 -0.130 0.000 1.190 396 D HN 0.254 nan 8.370 nan 0.000 0.459 397 P HA -0.192 nan 4.420 nan 0.000 0.216 397 P C 1.362 178.635 177.300 -0.046 0.000 1.154 397 P CA 0.694 63.777 63.100 -0.028 0.000 0.865 397 P CB 0.056 31.757 31.700 0.002 0.000 0.789 398 L N -0.492 120.713 121.223 -0.031 0.000 2.017 398 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 398 L C 2.199 178.979 176.870 -0.151 0.000 1.073 398 L CA 2.170 56.972 54.840 -0.063 0.000 0.745 398 L CB -1.576 40.487 42.059 0.007 0.000 0.894 398 L HN -0.115 nan 8.230 nan 0.000 0.432 399 A N -0.504 122.258 122.820 -0.097 0.000 1.902 399 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 399 A C 2.449 179.954 177.584 -0.131 0.000 1.181 399 A CA 1.962 53.937 52.037 -0.104 0.000 0.623 399 A CB -0.632 18.322 19.000 -0.077 0.000 0.818 399 A HN 0.522 nan 8.150 nan 0.000 0.443 400 K N 0.415 120.745 120.400 -0.117 0.000 2.026 400 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 400 K C 2.280 178.800 176.600 -0.133 0.000 1.048 400 K CA 1.940 58.167 56.287 -0.101 0.000 0.929 400 K CB -0.234 32.223 32.500 -0.072 0.000 0.713 400 K HN 0.593 nan 8.250 nan 0.000 0.439 401 S N 0.225 115.810 115.700 -0.192 0.000 2.423 401 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 401 S C 1.973 176.305 174.600 -0.448 0.000 1.014 401 S CA 1.008 59.056 58.200 -0.253 0.000 0.965 401 S CB -0.451 62.610 63.200 -0.231 0.000 0.785 401 S HN 0.340 nan 8.310 nan 0.000 0.495 402 I N 1.377 121.623 120.570 -0.539 0.000 2.277 402 I HA 0.134 4.304 4.170 -0.000 0.000 0.243 402 I C 2.103 178.115 176.117 -0.175 0.000 1.094 402 I CA 0.985 62.017 61.300 -0.446 0.000 1.393 402 I CB -0.718 37.084 38.000 -0.330 0.000 1.078 402 I HN 0.590 nan 8.210 nan 0.000 0.417 403 G N 1.066 109.788 108.800 -0.130 0.000 2.131 403 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.201 403 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.201 403 G C 0.023 174.903 174.900 -0.033 0.000 1.000 403 G CA -0.095 44.967 45.100 -0.062 0.000 0.680 403 G HN 0.750 nan 8.290 nan 0.000 0.514 404 A N -1.390 121.409 122.820 -0.036 0.000 2.594 404 A HA 0.902 5.222 4.320 -0.000 0.000 0.295 404 A C -1.077 176.511 177.584 0.008 0.000 1.071 404 A CA -0.182 51.855 52.037 0.000 0.000 0.685 404 A CB 2.186 21.196 19.000 0.016 0.000 1.285 404 A HN 1.398 nan 8.150 nan 0.000 0.405 405 V N 1.606 121.544 119.914 0.040 0.000 2.577 405 V HA 0.374 4.494 4.120 -0.000 0.000 0.303 405 V C 0.446 176.602 176.094 0.103 0.000 1.042 405 V CA 0.100 62.436 62.300 0.061 0.000 0.872 405 V CB 1.663 33.519 31.823 0.055 0.000 0.998 405 V HN 1.122 nan 8.190 nan 0.000 0.423 406 N N 1.836 120.605 118.700 0.115 0.000 2.171 406 N HA 0.120 4.859 4.740 -0.000 0.000 0.212 406 N C -0.209 175.412 175.510 0.185 0.000 1.184 406 N CA -0.312 52.826 53.050 0.146 0.000 0.888 406 N CB 0.959 39.517 38.487 0.118 0.000 1.038 406 N HN 0.552 nan 8.380 nan 0.000 0.517 407 T N 1.098 115.768 114.554 0.193 0.000 2.937 407 T HA 0.436 4.786 4.350 -0.000 0.000 0.297 407 T C -0.804 174.092 174.700 0.327 0.000 0.991 407 T CA -0.449 61.794 62.100 0.238 0.000 0.990 407 T CB 1.858 70.773 68.868 0.079 0.000 0.991 407 T HN 0.074 nan 8.240 nan 0.000 0.440 408 I N 3.433 124.258 120.570 0.425 0.000 2.406 408 I HA 0.552 4.722 4.170 -0.000 0.000 0.290 408 I C -1.101 175.285 176.117 0.450 0.000 0.999 408 I CA -1.083 60.467 61.300 0.417 0.000 1.124 408 I CB 1.961 40.242 38.000 0.469 0.000 1.289 408 I HN 0.360 nan 8.210 nan 0.000 0.441 409 L N 6.811 128.260 121.223 0.376 0.000 2.362 409 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 409 L C -0.343 176.653 176.870 0.210 0.000 0.998 409 L CA -0.357 54.677 54.840 0.323 0.000 0.820 409 L CB 1.663 43.934 42.059 0.353 0.000 1.270 409 L HN 0.540 nan 8.230 nan 0.000 0.415 410 R N 4.509 125.086 120.500 0.128 0.000 2.204 410 R HA 0.359 4.699 4.340 -0.000 0.000 0.341 410 R C -0.301 176.043 176.300 0.072 0.000 1.035 410 R CA -0.639 55.515 56.100 0.089 0.000 0.887 410 R CB 0.406 30.732 30.300 0.044 0.000 1.114 410 R HN 0.730 nan 8.270 nan 0.000 0.473 411 R N 3.726 124.274 120.500 0.079 0.000 2.484 411 R HA -0.028 4.312 4.340 -0.000 0.000 0.293 411 R C 0.524 176.848 176.300 0.039 0.000 1.023 411 R CA 0.406 56.544 56.100 0.063 0.000 1.037 411 R CB 0.661 30.997 30.300 0.060 0.000 0.951 411 R HN 0.634 nan 8.270 nan 0.000 0.418 412 K N 1.761 122.179 120.400 0.029 0.000 2.147 412 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 412 K C 1.690 178.296 176.600 0.011 0.000 1.049 412 K CA 1.464 57.758 56.287 0.012 0.000 0.936 412 K CB 0.086 32.588 32.500 0.004 0.000 0.722 412 K HN 0.545 nan 8.250 nan 0.000 0.446 413 S N 2.203 117.913 115.700 0.017 0.000 2.462 413 S HA -0.203 4.267 4.470 -0.000 0.000 0.219 413 S C 1.658 176.266 174.600 0.012 0.000 1.048 413 S CA 2.156 60.364 58.200 0.014 0.000 1.119 413 S CB -0.496 62.715 63.200 0.018 0.000 1.100 413 S HN 0.513 nan 8.310 nan 0.000 0.411 414 D N -0.332 120.078 120.400 0.017 0.000 2.201 414 D HA 0.302 4.942 4.640 -0.000 0.000 0.209 414 D C 1.282 177.592 176.300 0.017 0.000 0.961 414 D CA 0.919 54.928 54.000 0.015 0.000 0.861 414 D CB -0.598 40.211 40.800 0.015 0.000 0.997 414 D HN 0.620 nan 8.370 nan 0.000 0.486 415 G N 0.189 109.004 108.800 0.025 0.000 2.148 415 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.157 415 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.157 415 G C -0.021 174.904 174.900 0.040 0.000 1.012 415 G CA -0.086 45.032 45.100 0.031 0.000 0.677 415 G HN 0.666 nan 8.290 nan 0.000 0.506 416 K N 0.212 120.637 120.400 0.040 0.000 2.090 416 K HA 0.810 5.130 4.320 -0.000 0.000 0.249 416 K C 0.096 176.735 176.600 0.065 0.000 0.995 416 K CA -0.949 55.364 56.287 0.044 0.000 0.914 416 K CB 1.399 33.917 32.500 0.030 0.000 1.057 416 K HN 0.142 nan 8.250 nan 0.000 0.462 417 L N 2.360 123.625 121.223 0.070 0.000 2.289 417 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 417 L C -0.470 176.434 176.870 0.057 0.000 1.049 417 L CA -0.940 53.959 54.840 0.098 0.000 0.804 417 L CB 0.676 42.809 42.059 0.123 0.000 1.195 417 L HN 0.454 nan 8.230 nan 0.000 0.428 418 L N 2.659 123.923 121.223 0.068 0.000 2.322 418 L HA 0.671 5.011 4.340 -0.000 0.000 0.281 418 L C 0.435 177.221 176.870 -0.141 0.000 1.014 418 L CA -0.539 54.265 54.840 -0.059 0.000 0.815 418 L CB 1.720 43.774 42.059 -0.009 0.000 1.247 418 L HN 0.646 nan 8.230 nan 0.000 0.421 419 G N 1.794 110.402 108.800 -0.319 0.000 2.379 419 G HA2 0.648 4.608 3.960 -0.000 0.000 0.327 419 G HA3 0.648 4.608 3.960 -0.000 0.000 0.327 419 G C -1.497 173.090 174.900 -0.521 0.000 1.145 419 G CA -0.163 44.787 45.100 -0.249 0.000 0.905 419 G HN 0.392 nan 8.290 nan 0.000 0.466 420 Y N 0.232 120.542 120.300 0.016 0.000 2.634 420 Y HA 0.540 5.090 4.550 -0.000 0.000 0.340 420 Y C 0.037 175.927 175.900 -0.017 0.000 1.058 420 Y CA -1.274 56.817 58.100 -0.015 0.000 1.081 420 Y CB 2.589 41.022 38.460 -0.044 0.000 1.295 420 Y HN 0.463 nan 8.280 nan 0.000 0.487 421 N N 0.268 119.052 118.700 0.140 0.000 2.549 421 N HA 0.127 4.867 4.740 -0.000 0.000 0.281 421 N C -0.316 175.212 175.510 0.030 0.000 1.084 421 N CA -0.090 52.998 53.050 0.063 0.000 0.862 421 N CB 1.604 40.103 38.487 0.020 0.000 1.333 421 N HN 0.873 nan 8.380 nan 0.000 0.523 422 T N -1.252 113.299 114.554 -0.005 0.000 3.086 422 T HA 0.166 4.516 4.350 -0.000 0.000 0.250 422 T C 0.479 175.142 174.700 -0.061 0.000 1.074 422 T CA -0.031 62.031 62.100 -0.063 0.000 0.988 422 T CB 0.306 69.089 68.868 -0.143 0.000 0.988 422 T HN 0.226 nan 8.240 nan 0.000 0.530 426 G N 0.876 109.628 108.800 -0.081 0.000 2.421 426 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 426 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 426 G C 1.531 176.388 174.900 -0.072 0.000 1.171 426 G CA 1.617 46.654 45.100 -0.104 0.000 0.775 426 G HN 0.575 nan 8.290 nan 0.000 0.543 427 S N 0.564 116.218 115.700 -0.078 0.000 2.371 427 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 427 S C 2.290 176.702 174.600 -0.314 0.000 1.029 427 S CA 0.923 58.987 58.200 -0.227 0.000 0.978 427 S CB -0.229 62.883 63.200 -0.147 0.000 0.833 427 S HN 0.132 nan 8.310 nan 0.000 0.466 428 I N 2.645 123.117 120.570 -0.164 0.000 2.179 428 I HA -0.083 4.087 4.170 -0.000 0.000 0.242 428 I C 2.642 178.698 176.117 -0.102 0.000 1.088 428 I CA 1.166 62.389 61.300 -0.129 0.000 1.357 428 I CB -1.845 36.119 38.000 -0.060 0.000 1.051 428 I HN 0.317 nan 8.210 nan 0.000 0.409 429 S N 1.081 116.744 115.700 -0.062 0.000 2.382 429 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 429 S C 2.234 176.826 174.600 -0.015 0.000 1.027 429 S CA 1.211 59.400 58.200 -0.018 0.000 0.991 429 S CB -0.268 62.945 63.200 0.021 0.000 0.823 429 S HN 0.545 nan 8.310 nan 0.000 0.469 430 A N 1.448 124.242 122.820 -0.044 0.000 1.898 430 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 430 A C 2.058 179.605 177.584 -0.061 0.000 1.181 430 A CA 1.091 53.123 52.037 -0.010 0.000 0.620 430 A CB -0.623 18.383 19.000 0.010 0.000 0.819 430 A HN 0.476 nan 8.150 nan 0.000 0.442 431 I N -0.502 119.954 120.570 -0.189 0.000 2.163 431 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 431 I C 2.502 178.587 176.117 -0.054 0.000 1.081 431 I CA 1.526 62.736 61.300 -0.150 0.000 1.353 431 I CB -0.544 37.314 38.000 -0.236 0.000 1.054 431 I HN 0.414 nan 8.210 nan 0.000 0.407 432 E N 0.658 120.827 120.200 -0.052 0.000 2.070 432 E HA -0.325 4.025 4.350 -0.000 0.000 0.197 432 E C 1.687 178.283 176.600 -0.006 0.000 1.004 432 E CA 1.940 58.327 56.400 -0.021 0.000 0.805 432 E CB -0.262 29.427 29.700 -0.019 0.000 0.744 432 E HN 0.465 nan 8.360 nan 0.000 0.451 433 D N -0.109 120.290 120.400 -0.001 0.000 2.178 433 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 433 D C 1.998 178.303 176.300 0.008 0.000 0.980 433 D CA 1.417 55.420 54.000 0.006 0.000 0.842 433 D CB -0.282 40.528 40.800 0.016 0.000 0.948 433 D HN 0.181 nan 8.370 nan 0.000 0.472 434 G N -0.101 108.710 108.800 0.017 0.000 2.422 434 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.218 434 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.218 434 G C 0.923 175.839 174.900 0.026 0.000 1.140 434 G CA 0.259 45.377 45.100 0.031 0.000 0.775 434 G HN 0.270 nan 8.290 nan 0.000 0.545 456 V N 3.215 123.184 119.914 0.093 0.000 2.350 456 V HA 0.502 4.622 4.120 -0.000 0.000 0.276 456 V C 0.399 176.570 176.094 0.127 0.000 1.028 456 V CA -0.790 61.578 62.300 0.112 0.000 0.860 456 V CB 1.606 33.471 31.823 0.070 0.000 0.990 456 V HN 0.836 nan 8.190 nan 0.000 0.453 457 V N 6.499 126.527 119.914 0.189 0.000 2.353 457 V HA 0.229 4.349 4.120 -0.000 0.000 0.264 457 V C 0.171 176.330 176.094 0.107 0.000 1.049 457 V CA -0.322 62.077 62.300 0.164 0.000 0.896 457 V CB 1.317 33.323 31.823 0.305 0.000 1.025 457 V HN 0.625 nan 8.190 nan 0.000 0.475 458 V N 7.144 127.098 119.914 0.067 0.000 2.406 458 V HA 0.390 4.510 4.120 -0.000 0.000 0.272 458 V C 0.189 176.304 176.094 0.036 0.000 1.043 458 V CA -0.298 62.039 62.300 0.063 0.000 0.915 458 V CB 1.385 33.244 31.823 0.059 0.000 0.988 458 V HN 0.636 nan 8.190 nan 0.000 0.466 459 I N 4.911 125.503 120.570 0.037 0.000 2.304 459 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 459 I C 0.762 176.893 176.117 0.022 0.000 1.018 459 I CA 0.045 61.355 61.300 0.016 0.000 1.260 459 I CB 0.987 38.987 38.000 0.001 0.000 1.390 459 I HN 0.863 nan 8.210 nan 0.000 0.475 460 G N 4.446 113.255 108.800 0.015 0.000 2.770 460 G HA2 0.179 4.139 3.960 -0.000 0.000 0.686 460 G HA3 0.179 4.139 3.960 -0.000 0.000 0.686 460 G C -0.491 174.420 174.900 0.019 0.000 1.180 460 G CA -0.296 44.814 45.100 0.017 0.000 0.767 460 G HN 0.952 nan 8.290 nan 0.000 0.646 461 A N 0.836 123.663 122.820 0.012 0.000 2.610 461 A HA 0.810 5.130 4.320 -0.000 0.000 0.290 461 A C 1.186 178.779 177.584 0.014 0.000 1.001 461 A CA 1.124 53.166 52.037 0.009 0.000 1.004 461 A CB -0.069 18.923 19.000 -0.013 0.000 1.220 461 A HN 2.189 nan 8.150 nan 0.000 0.507 462 G N -0.719 108.094 108.800 0.023 0.000 2.630 462 G HA2 0.433 4.392 3.960 -0.000 0.000 0.223 462 G HA3 0.433 4.392 3.960 -0.000 0.000 0.223 462 G C 1.171 176.093 174.900 0.035 0.000 1.434 462 G CA 0.258 45.373 45.100 0.024 0.000 1.057 462 G HN 0.552 nan 8.290 nan 0.000 0.570 463 G N 0.054 108.879 108.800 0.041 0.000 2.491 463 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.218 463 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.218 463 G C 1.973 176.910 174.900 0.063 0.000 1.180 463 G CA 2.102 47.233 45.100 0.051 0.000 0.774 463 G HN 0.931 nan 8.290 nan 0.000 0.562 464 A N 0.648 123.514 122.820 0.077 0.000 1.930 464 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 464 A C 2.708 180.350 177.584 0.096 0.000 1.175 464 A CA 1.970 54.066 52.037 0.098 0.000 0.627 464 A CB -0.969 18.102 19.000 0.119 0.000 0.815 464 A HN 0.559 nan 8.150 nan 0.000 0.443 465 G N -0.126 108.721 108.800 0.078 0.000 2.418 465 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 465 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 465 G C 1.662 176.604 174.900 0.070 0.000 1.158 465 G CA 1.085 46.229 45.100 0.073 0.000 0.771 465 G HN 0.571 nan 8.290 nan 0.000 0.545 466 K N 0.541 120.976 120.400 0.059 0.000 2.057 466 K HA 0.019 4.339 4.320 -0.000 0.000 0.207 466 K C 2.938 179.590 176.600 0.087 0.000 1.049 466 K CA 1.081 57.404 56.287 0.059 0.000 0.931 466 K CB -0.207 32.312 32.500 0.032 0.000 0.714 466 K HN 0.277 nan 8.250 nan 0.000 0.440 467 A N 1.376 124.242 122.820 0.077 0.000 1.873 467 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 467 A C 2.110 179.768 177.584 0.124 0.000 1.186 467 A CA 1.001 53.093 52.037 0.091 0.000 0.616 467 A CB -0.554 18.486 19.000 0.066 0.000 0.823 467 A HN 0.262 nan 8.150 nan 0.000 0.442 468 L N -0.836 120.448 121.223 0.101 0.000 2.093 468 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 468 L C 2.815 179.731 176.870 0.077 0.000 1.085 468 L CA 1.188 56.076 54.840 0.079 0.000 0.755 468 L CB -0.304 41.813 42.059 0.097 0.000 0.904 468 L HN 0.412 nan 8.230 nan 0.000 0.435 469 A N -0.773 122.102 122.820 0.093 0.000 1.855 469 A HA -0.305 4.015 4.320 -0.000 0.000 0.215 469 A C 2.109 179.747 177.584 0.089 0.000 1.191 469 A CA 1.716 53.800 52.037 0.078 0.000 0.613 469 A CB -1.137 17.908 19.000 0.075 0.000 0.829 469 A HN 0.548 nan 8.150 nan 0.000 0.442 470 Y N 0.816 121.121 120.300 0.008 0.000 2.053 470 Y HA -0.201 4.349 4.550 -0.000 0.000 0.277 470 Y C 2.553 178.454 175.900 0.002 0.000 1.159 470 Y CA 1.955 60.058 58.100 0.006 0.000 1.125 470 Y CB -0.890 37.575 38.460 0.008 0.000 0.969 470 Y HN 0.234 nan 8.280 nan 0.000 0.492 471 G N -0.555 108.308 108.800 0.104 0.000 2.442 471 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 471 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 471 G C 1.801 176.664 174.900 -0.061 0.000 1.141 471 G CA 1.086 46.188 45.100 0.003 0.000 0.763 471 G HN 0.661 nan 8.290 nan 0.000 0.554 472 A N 0.659 123.457 122.820 -0.036 0.000 1.902 472 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 472 A C 2.212 179.759 177.584 -0.062 0.000 1.181 472 A CA 2.140 54.156 52.037 -0.036 0.000 0.623 472 A CB -0.417 18.579 19.000 -0.007 0.000 0.818 472 A HN 0.414 nan 8.150 nan 0.000 0.443 473 K N -0.471 119.871 120.400 -0.097 0.000 2.026 473 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 473 K C 1.786 178.296 176.600 -0.151 0.000 1.048 473 K CA 1.447 57.663 56.287 -0.119 0.000 0.929 473 K CB -0.183 32.226 32.500 -0.152 0.000 0.713 473 K HN 0.371 nan 8.250 nan 0.000 0.439 474 E N 0.807 120.867 120.200 -0.233 0.000 2.171 474 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 474 E C 1.737 178.272 176.600 -0.107 0.000 0.997 474 E CA 1.051 57.328 56.400 -0.205 0.000 0.810 474 E CB 0.062 29.616 29.700 -0.244 0.000 0.738 474 E HN 0.243 nan 8.360 nan 0.000 0.467 475 K N -0.898 119.453 120.400 -0.083 0.000 2.418 475 K HA 0.051 4.371 4.320 -0.000 0.000 0.195 475 K C 1.443 178.019 176.600 -0.040 0.000 1.035 475 K CA 0.820 57.077 56.287 -0.050 0.000 1.003 475 K CB 1.022 33.498 32.500 -0.039 0.000 0.793 475 K HN 0.261 nan 8.250 nan 0.000 0.494 476 G N 0.311 109.083 108.800 -0.046 0.000 2.340 476 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.106 476 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.106 476 G C 0.053 174.937 174.900 -0.026 0.000 2.445 476 G CA -0.116 44.965 45.100 -0.032 0.000 1.363 476 G HN 0.408 nan 8.290 nan 0.000 0.412 480 V N 5.493 125.422 119.914 0.025 0.000 2.604 480 V HA 0.677 4.797 4.120 -0.000 0.000 0.305 480 V C -0.460 175.615 176.094 -0.031 0.000 1.043 480 V CA -0.580 61.709 62.300 -0.019 0.000 0.888 480 V CB 1.976 33.759 31.823 -0.067 0.000 0.995 480 V HN 0.812 nan 8.190 nan 0.000 0.429 481 I N 3.818 124.357 120.570 -0.051 0.000 2.382 481 I HA 0.646 4.816 4.170 -0.000 0.000 0.286 481 I C 0.304 176.384 176.117 -0.062 0.000 1.002 481 I CA -0.473 60.800 61.300 -0.045 0.000 1.135 481 I CB 1.394 39.366 38.000 -0.047 0.000 1.288 481 I HN 0.706 nan 8.210 nan 0.000 0.448 482 A N 5.823 128.617 122.820 -0.042 0.000 2.271 482 A HA 0.759 5.079 4.320 -0.000 0.000 0.317 482 A C -0.416 177.167 177.584 -0.002 0.000 1.245 482 A CA -0.459 51.564 52.037 -0.025 0.000 0.857 482 A CB 0.816 19.796 19.000 -0.033 0.000 1.175 482 A HN 0.715 nan 8.150 nan 0.000 0.512 483 N N 0.376 119.087 118.700 0.018 0.000 2.264 483 N HA 0.268 5.008 4.740 -0.000 0.000 0.288 483 N C 0.927 176.468 175.510 0.051 0.000 1.094 483 N CA -0.622 52.440 53.050 0.021 0.000 0.817 483 N CB 1.620 40.105 38.487 -0.003 0.000 1.604 483 N HN 0.592 nan 8.380 nan 0.000 0.473 484 R N 1.129 121.651 120.500 0.038 0.000 2.112 484 R HA -0.078 4.262 4.340 -0.000 0.000 0.242 484 R C -0.382 175.956 176.300 0.063 0.000 1.137 484 R CA 1.548 57.674 56.100 0.043 0.000 0.944 484 R CB -0.711 29.604 30.300 0.026 0.000 0.857 484 R HN 0.565 nan 8.270 nan 0.000 0.435 485 T N 1.696 116.283 114.554 0.054 0.000 2.875 485 T HA 0.053 4.403 4.350 -0.000 0.000 0.307 485 T C 0.038 174.790 174.700 0.087 0.000 1.013 485 T CA -0.378 61.763 62.100 0.067 0.000 0.970 485 T CB 0.683 69.573 68.868 0.037 0.000 0.986 485 T HN 0.245 nan 8.240 nan 0.000 0.536 486 Y N 4.087 124.386 120.300 -0.000 0.000 2.069 486 Y HA -0.328 4.222 4.550 -0.000 0.000 0.278 486 Y C 2.291 178.192 175.900 0.001 0.000 1.175 486 Y CA 2.276 60.375 58.100 -0.002 0.000 1.134 486 Y CB -0.133 38.327 38.460 -0.001 0.000 0.965 486 Y HN 0.769 nan 8.280 nan 0.000 0.498 487 E N -0.384 119.839 120.200 0.037 0.000 2.114 487 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 487 E C 2.229 178.762 176.600 -0.113 0.000 1.008 487 E CA 1.667 58.040 56.400 -0.045 0.000 0.810 487 E CB -0.586 29.134 29.700 0.033 0.000 0.739 487 E HN 0.461 nan 8.360 nan 0.000 0.456 488 R N 0.647 121.102 120.500 -0.075 0.000 2.073 488 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 488 R C 2.566 178.800 176.300 -0.110 0.000 1.134 488 R CA 1.262 57.322 56.100 -0.067 0.000 0.952 488 R CB -0.518 29.763 30.300 -0.031 0.000 0.850 488 R HN 0.314 nan 8.270 nan 0.000 0.433 489 A N 1.493 124.216 122.820 -0.162 0.000 1.933 489 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 489 A C 2.189 179.620 177.584 -0.254 0.000 1.175 489 A CA 0.981 52.907 52.037 -0.186 0.000 0.628 489 A CB -0.501 18.381 19.000 -0.196 0.000 0.814 489 A HN 0.303 nan 8.150 nan 0.000 0.444 490 L N -0.525 120.455 121.223 -0.406 0.000 1.988 490 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 490 L C 2.594 179.366 176.870 -0.164 0.000 1.071 490 L CA 2.338 56.964 54.840 -0.357 0.000 0.744 490 L CB -0.444 41.353 42.059 -0.436 0.000 0.893 490 L HN 0.649 nan 8.230 nan 0.000 0.433 491 E N -0.196 119.930 120.200 -0.124 0.000 2.065 491 E HA -0.330 4.019 4.350 -0.000 0.000 0.201 491 E C 2.221 178.794 176.600 -0.045 0.000 1.016 491 E CA 2.074 58.437 56.400 -0.062 0.000 0.818 491 E CB -0.260 29.413 29.700 -0.044 0.000 0.749 491 E HN 0.439 nan 8.360 nan 0.000 0.453 492 L N 0.987 122.180 121.223 -0.050 0.000 2.017 492 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 492 L C 2.389 179.248 176.870 -0.018 0.000 1.073 492 L CA 2.336 57.163 54.840 -0.022 0.000 0.745 492 L CB -0.963 41.084 42.059 -0.019 0.000 0.894 492 L HN 0.224 nan 8.230 nan 0.000 0.432 493 A N -0.815 121.977 122.820 -0.046 0.000 1.917 493 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 493 A C 2.159 179.732 177.584 -0.018 0.000 1.182 493 A CA 2.092 54.108 52.037 -0.036 0.000 0.633 493 A CB -0.662 18.301 19.000 -0.062 0.000 0.819 493 A HN 0.661 nan 8.150 nan 0.000 0.448 494 E N -0.648 119.539 120.200 -0.022 0.000 2.285 494 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 494 E C 2.140 178.743 176.600 0.006 0.000 0.997 494 E CA 0.559 56.955 56.400 -0.007 0.000 0.845 494 E CB -0.174 29.520 29.700 -0.010 0.000 0.782 494 E HN 0.636 nan 8.360 nan 0.000 0.491 495 A N 1.619 124.445 122.820 0.011 0.000 2.014 495 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 495 A C 2.073 179.687 177.584 0.050 0.000 1.163 495 A CA 0.846 52.901 52.037 0.031 0.000 0.652 495 A CB -0.400 18.621 19.000 0.034 0.000 0.808 495 A HN 0.370 nan 8.150 nan 0.000 0.449 496 I N -5.685 114.909 120.570 0.040 0.000 4.050 496 I HA 0.523 4.693 4.170 -0.000 0.000 0.327 496 I C 0.765 176.886 176.117 0.007 0.000 1.473 496 I CA 0.121 61.441 61.300 0.034 0.000 1.124 496 I CB 0.070 38.096 38.000 0.044 0.000 1.129 496 I HN 0.273 nan 8.210 nan 0.000 0.428 497 G N 1.422 110.227 108.800 0.008 0.000 2.415 497 G HA2 0.074 4.034 3.960 -0.000 0.000 0.283 497 G HA3 0.074 4.034 3.960 -0.000 0.000 0.283 497 G C -0.000 174.901 174.900 0.002 0.000 1.014 497 G CA -0.033 45.069 45.100 0.003 0.000 1.323 497 G HN 1.024 nan 8.290 nan 0.000 0.502 501 L N 0.866 122.099 121.223 0.017 0.000 2.482 501 L HA 0.698 5.038 4.340 -0.000 0.000 0.263 501 L C -0.062 176.906 176.870 0.164 0.000 0.957 501 L CA -0.447 54.426 54.840 0.056 0.000 0.836 501 L CB 2.172 44.135 42.059 -0.160 0.000 1.324 501 L HN 0.913 nan 8.230 nan 0.000 0.406 502 S N 2.405 118.221 115.700 0.193 0.000 2.528 502 S HA 0.116 4.586 4.470 -0.000 0.000 0.277 502 S C 0.958 175.606 174.600 0.079 0.000 1.297 502 S CA -0.496 57.804 58.200 0.167 0.000 1.052 502 S CB 0.957 64.169 63.200 0.021 0.000 0.917 502 S HN 0.633 nan 8.310 nan 0.000 0.492 503 L N 5.695 126.964 121.223 0.077 0.000 2.270 503 L HA -0.086 4.253 4.340 -0.000 0.000 0.217 503 L C 2.130 179.023 176.870 0.038 0.000 1.107 503 L CA 2.176 57.044 54.840 0.046 0.000 0.772 503 L CB -0.982 41.102 42.059 0.041 0.000 0.902 503 L HN 0.833 nan 8.230 nan 0.000 0.439 504 T N -1.577 112.998 114.554 0.035 0.000 2.978 504 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 504 T C 1.164 175.890 174.700 0.043 0.000 1.063 504 T CA 1.126 63.244 62.100 0.031 0.000 1.140 504 T CB -0.206 68.672 68.868 0.017 0.000 0.886 504 T HN 0.348 nan 8.240 nan 0.000 0.470 505 D N 1.020 121.447 120.400 0.045 0.000 2.363 505 D HA 0.068 4.708 4.640 -0.000 0.000 0.220 505 D C 1.687 178.048 176.300 0.102 0.000 0.994 505 D CA 0.002 54.043 54.000 0.067 0.000 0.890 505 D CB -0.194 40.642 40.800 0.060 0.000 0.906 505 D HN 0.131 nan 8.370 nan 0.000 0.530 506 L N 0.670 121.938 121.223 0.076 0.000 2.141 506 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 506 L C 1.244 178.217 176.870 0.172 0.000 1.094 506 L CA 1.746 56.648 54.840 0.104 0.000 0.763 506 L CB -0.298 41.796 42.059 0.059 0.000 0.908 506 L HN -0.061 nan 8.230 nan 0.000 0.437 507 D N 0.105 120.582 120.400 0.127 0.000 2.144 507 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 507 D C 1.140 177.530 176.300 0.151 0.000 0.984 507 D CA 1.537 55.614 54.000 0.129 0.000 0.834 507 D CB -0.195 40.657 40.800 0.087 0.000 0.955 507 D HN 0.646 nan 8.370 nan 0.000 0.465 508 N N -0.575 118.209 118.700 0.140 0.000 2.204 508 N HA -0.100 4.639 4.740 -0.000 0.000 0.219 508 N C 0.396 175.967 175.510 0.101 0.000 1.151 508 N CA -0.431 52.684 53.050 0.109 0.000 0.867 508 N CB -0.144 38.387 38.487 0.074 0.000 1.043 508 N HN 0.091 nan 8.380 nan 0.000 0.516 513 D N -0.830 119.535 120.400 -0.058 0.000 2.500 513 D HA 0.193 4.833 4.640 -0.000 0.000 0.218 513 D C 0.584 176.875 176.300 -0.015 0.000 1.140 513 D CA 0.235 54.236 54.000 0.002 0.000 0.830 513 D CB 1.142 41.968 40.800 0.042 0.000 1.055 513 D HN 0.396 nan 8.370 nan 0.000 0.512 514 G N 0.447 109.232 108.800 -0.025 0.000 3.936 514 G HA2 0.297 4.257 3.960 -0.000 0.000 0.296 514 G HA3 0.297 4.257 3.960 -0.000 0.000 0.296 514 G C 0.283 175.194 174.900 0.018 0.000 1.121 514 G CA -0.282 44.823 45.100 0.008 0.000 0.899 514 G HN 0.007 nan 8.290 nan 0.000 0.542 515 M N 0.057 119.639 119.600 -0.029 0.000 2.197 515 M HA 0.400 4.880 4.480 -0.000 0.000 0.305 515 M C -0.190 176.264 176.300 0.257 0.000 1.162 515 M CA -0.420 54.898 55.300 0.029 0.000 1.099 515 M CB 1.979 34.488 32.600 -0.152 0.000 1.430 515 M HN -0.075 nan 8.290 nan 0.000 0.481 516 V N 2.729 122.836 119.914 0.322 0.000 2.495 516 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 516 V C -1.537 174.774 176.094 0.361 0.000 1.031 516 V CA -0.856 61.640 62.300 0.327 0.000 0.871 516 V CB 1.847 33.774 31.823 0.174 0.000 0.988 516 V HN 0.636 nan 8.190 nan 0.000 0.432 517 L N 6.517 127.848 121.223 0.181 0.000 2.329 517 L HA 0.946 5.286 4.340 -0.000 0.000 0.279 517 L C -0.076 176.839 176.870 0.074 0.000 1.014 517 L CA -0.032 54.787 54.840 -0.035 0.000 0.814 517 L CB 1.618 43.334 42.059 -0.571 0.000 1.257 517 L HN 0.855 nan 8.230 nan 0.000 0.424 518 A N 3.986 126.875 122.820 0.115 0.000 2.522 518 A HA 0.479 4.799 4.320 -0.000 0.000 0.285 518 A C -0.891 176.784 177.584 0.153 0.000 1.198 518 A CA -0.632 51.558 52.037 0.256 0.000 0.742 518 A CB 0.196 19.392 19.000 0.326 0.000 1.176 518 A HN 0.724 nan 8.150 nan 0.000 0.444 519 N N 1.738 120.463 118.700 0.042 0.000 2.470 519 N HA 0.329 5.069 4.740 -0.000 0.000 0.268 519 N C 0.874 176.386 175.510 0.002 0.000 1.136 519 N CA 0.928 53.970 53.050 -0.013 0.000 0.961 519 N CB 0.900 39.340 38.487 -0.078 0.000 1.067 519 N HN 0.518 nan 8.380 nan 0.000 0.468 520 T N -1.300 113.276 114.554 0.037 0.000 3.170 520 T HA 0.152 4.502 4.350 -0.000 0.000 0.288 520 T C 0.530 175.248 174.700 0.031 0.000 0.992 520 T CA -0.211 61.925 62.100 0.059 0.000 0.909 520 T CB -0.782 68.147 68.868 0.102 0.000 1.133 520 T HN 0.502 nan 8.240 nan 0.000 0.530 521 T N -0.046 114.511 114.554 0.005 0.000 2.862 521 T HA 0.465 4.815 4.350 -0.000 0.000 0.276 521 T C 1.277 175.964 174.700 -0.021 0.000 0.974 521 T CA 0.015 62.112 62.100 -0.004 0.000 0.966 521 T CB 1.434 70.296 68.868 -0.009 0.000 1.072 521 T HN 0.172 nan 8.240 nan 0.000 0.538 522 S N -0.192 115.491 115.700 -0.028 0.000 2.631 522 S HA 0.214 4.684 4.470 -0.000 0.000 0.217 522 S C 0.740 175.302 174.600 -0.064 0.000 0.958 522 S CA -0.587 57.581 58.200 -0.053 0.000 0.920 522 S CB -0.789 62.376 63.200 -0.058 0.000 0.776 522 S HN 0.670 nan 8.310 nan 0.000 0.517 523 M N 1.843 121.413 119.600 -0.049 0.000 2.248 523 M HA 0.342 4.822 4.480 -0.000 0.000 0.345 523 M C 1.542 177.804 176.300 -0.062 0.000 1.243 523 M CA 1.289 56.560 55.300 -0.048 0.000 1.090 523 M CB 0.239 32.817 32.600 -0.036 0.000 1.683 523 M HN 0.542 nan 8.290 nan 0.000 0.450 524 G N 2.709 111.472 108.800 -0.062 0.000 2.241 524 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 524 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 524 G C 0.153 174.998 174.900 -0.092 0.000 0.998 524 G CA 0.051 45.109 45.100 -0.070 0.000 0.621 524 G HN 0.649 nan 8.290 nan 0.000 0.519 525 M N 2.723 122.254 119.600 -0.115 0.000 2.228 525 M HA 0.404 4.883 4.480 -0.000 0.000 0.351 525 M C 1.260 177.478 176.300 -0.135 0.000 1.233 525 M CA -0.312 54.886 55.300 -0.171 0.000 1.129 525 M CB 0.475 32.933 32.600 -0.237 0.000 1.604 525 M HN 0.487 nan 8.290 nan 0.000 0.457 526 Q N 6.686 126.401 119.800 -0.142 0.000 2.310 526 Q HA 0.044 4.384 4.340 -0.000 0.000 0.315 526 Q C -2.125 173.904 176.000 0.049 0.000 1.081 526 Q CA -0.968 54.810 55.803 -0.042 0.000 0.981 526 Q CB -0.027 28.657 28.738 -0.091 0.000 1.184 526 Q HN 0.511 nan 8.270 nan 0.000 0.389 527 P HA -0.006 nan 4.420 nan 0.000 0.257 527 P C -0.523 176.786 177.300 0.015 0.000 1.281 527 P CA 0.135 63.287 63.100 0.088 0.000 0.826 527 P CB 0.239 31.977 31.700 0.062 0.000 1.237 528 N N 1.295 119.990 118.700 -0.009 0.000 3.243 528 N HA 0.020 4.760 4.740 -0.000 0.000 0.310 528 N C 1.459 176.950 175.510 -0.031 0.000 1.313 528 N CA 0.104 53.140 53.050 -0.023 0.000 1.204 528 N CB 0.560 39.029 38.487 -0.031 0.000 1.483 528 N HN 0.112 nan 8.380 nan 0.000 0.553 529 V N -2.082 117.817 119.914 -0.025 0.000 2.913 529 V HA -0.029 4.091 4.120 -0.000 0.000 0.260 529 V C 1.310 177.386 176.094 -0.029 0.000 1.098 529 V CA 1.300 63.581 62.300 -0.031 0.000 1.121 529 V CB -0.079 31.730 31.823 -0.024 0.000 0.714 529 V HN 0.125 nan 8.190 nan 0.000 0.487 530 E N 0.388 120.574 120.200 -0.023 0.000 2.476 530 E HA 0.244 4.594 4.350 -0.000 0.000 0.196 530 E C 0.344 176.931 176.600 -0.021 0.000 1.029 530 E CA -0.026 56.362 56.400 -0.020 0.000 0.896 530 E CB 0.358 30.049 29.700 -0.015 0.000 1.012 530 E HN 0.784 nan 8.360 nan 0.000 0.475 531 E N 0.643 120.828 120.200 -0.026 0.000 2.343 531 E HA 0.252 4.602 4.350 -0.000 0.000 0.269 531 E C -0.250 176.332 176.600 -0.029 0.000 1.047 531 E CA 0.085 56.470 56.400 -0.025 0.000 0.874 531 E CB 1.434 31.117 29.700 -0.028 0.000 1.033 531 E HN -0.182 nan 8.360 nan 0.000 0.409 532 T N 1.978 116.517 114.554 -0.024 0.000 3.032 532 T HA 0.241 4.591 4.350 -0.000 0.000 0.312 532 T C -2.225 172.463 174.700 -0.021 0.000 1.078 532 T CA -1.597 60.486 62.100 -0.027 0.000 1.028 532 T CB 1.326 70.180 68.868 -0.023 0.000 1.091 532 T HN 0.233 nan 8.240 nan 0.000 0.457 533 P HA 0.258 nan 4.420 nan 0.000 0.237 533 P C 0.254 177.550 177.300 -0.007 0.000 1.178 533 P CA 0.288 63.378 63.100 -0.017 0.000 0.766 533 P CB 0.529 32.214 31.700 -0.025 0.000 0.876 534 I N -1.636 118.930 120.570 -0.008 0.000 2.918 534 I HA 0.245 4.415 4.170 -0.000 0.000 0.301 534 I C -0.896 175.233 176.117 0.020 0.000 1.312 534 I CA -1.135 60.172 61.300 0.012 0.000 1.007 534 I CB 2.498 40.502 38.000 0.006 0.000 1.281 534 I HN -0.334 nan 8.210 nan 0.000 0.440 535 S N 3.031 118.757 115.700 0.043 0.000 2.549 535 S HA 0.143 4.612 4.470 -0.000 0.000 0.279 535 S C 0.814 175.446 174.600 0.052 0.000 1.321 535 S CA -0.269 57.958 58.200 0.044 0.000 1.054 535 S CB 0.955 64.189 63.200 0.056 0.000 0.899 535 S HN 0.619 nan 8.310 nan 0.000 0.497 536 K N 3.230 123.651 120.400 0.036 0.000 2.515 536 K HA 0.022 4.342 4.320 -0.000 0.000 0.196 536 K C 0.730 177.359 176.600 0.049 0.000 1.038 536 K CA 1.176 57.484 56.287 0.035 0.000 0.967 536 K CB -0.232 32.279 32.500 0.018 0.000 0.780 536 K HN 0.494 nan 8.250 nan 0.000 0.483 537 D N 0.935 121.372 120.400 0.060 0.000 2.277 537 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 537 D C 1.437 177.801 176.300 0.107 0.000 0.962 537 D CA 1.273 55.311 54.000 0.063 0.000 0.865 537 D CB 0.164 41.003 40.800 0.064 0.000 0.939 537 D HN 0.426 nan 8.370 nan 0.000 0.510 538 A N 0.297 123.224 122.820 0.178 0.000 2.195 538 A HA 0.125 4.445 4.320 -0.000 0.000 0.210 538 A C 2.204 180.035 177.584 0.412 0.000 1.165 538 A CA -0.095 52.150 52.037 0.347 0.000 0.806 538 A CB -0.242 18.970 19.000 0.353 0.000 0.847 538 A HN 0.104 nan 8.150 nan 0.000 0.482 539 L N -0.310 121.060 121.223 0.245 0.000 2.083 539 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 539 L C 2.428 179.439 176.870 0.236 0.000 1.083 539 L CA 1.725 56.717 54.840 0.253 0.000 0.752 539 L CB -0.425 41.689 42.059 0.092 0.000 0.899 539 L HN 0.412 nan 8.230 nan 0.000 0.433 540 K N -0.558 119.866 120.400 0.040 0.000 2.442 540 K HA -0.195 4.125 4.320 -0.000 0.000 0.199 540 K C 1.725 178.250 176.600 -0.126 0.000 1.044 540 K CA 0.993 57.233 56.287 -0.079 0.000 0.941 540 K CB 0.007 32.390 32.500 -0.194 0.000 0.759 540 K HN 0.448 nan 8.250 nan 0.000 0.472 541 H N -1.214 117.905 119.070 0.082 0.000 2.548 541 H HA 0.020 4.576 4.556 -0.000 0.000 0.265 541 H C -0.325 174.872 175.328 -0.217 0.000 0.969 541 H CA 0.455 56.442 56.048 -0.101 0.000 1.155 541 H CB 0.100 29.728 29.762 -0.223 0.000 1.394 541 H HN 0.074 nan 8.280 nan 0.000 0.570 542 Y N -0.785 119.588 120.300 0.121 0.000 2.409 542 Y HA 0.444 4.994 4.550 -0.000 0.000 0.339 542 Y C 1.098 177.036 175.900 0.063 0.000 1.033 542 Y CA -0.537 57.621 58.100 0.097 0.000 1.094 542 Y CB 1.596 40.117 38.460 0.102 0.000 1.210 542 Y HN -0.083 nan 8.280 nan 0.000 0.456 543 A N 2.757 125.696 122.820 0.199 0.000 1.935 543 A HA 0.194 4.514 4.320 -0.000 0.000 0.214 543 A C 0.109 177.771 177.584 0.131 0.000 1.178 543 A CA 0.746 52.858 52.037 0.126 0.000 0.640 543 A CB 0.099 19.151 19.000 0.087 0.000 0.825 543 A HN 0.691 nan 8.150 nan 0.000 0.447 544 L N -0.916 120.407 121.223 0.166 0.000 2.409 544 L HA 0.723 5.063 4.340 -0.000 0.000 0.262 544 L C -1.699 175.258 176.870 0.145 0.000 0.992 544 L CA -0.863 54.059 54.840 0.137 0.000 0.817 544 L CB 2.376 44.504 42.059 0.115 0.000 1.350 544 L HN -0.018 nan 8.230 nan 0.000 0.411 545 V N 4.436 124.416 119.914 0.109 0.000 2.577 545 V HA 0.549 4.669 4.120 -0.000 0.000 0.303 545 V C -1.568 174.610 176.094 0.139 0.000 1.042 545 V CA -0.361 61.979 62.300 0.068 0.000 0.872 545 V CB 1.749 33.562 31.823 -0.017 0.000 0.998 545 V HN 0.635 nan 8.190 nan 0.000 0.423 546 F N 5.969 125.917 119.950 -0.003 0.000 2.492 546 F HA 0.827 5.354 4.527 -0.000 0.000 0.327 546 F C -0.748 175.059 175.800 0.012 0.000 1.079 546 F CA -0.429 57.582 58.000 0.018 0.000 0.967 546 F CB 1.970 40.989 39.000 0.033 0.000 1.169 546 F HN 0.570 nan 8.300 nan 0.000 0.472 547 D N 3.383 123.165 120.400 -1.030 0.000 2.788 547 D HA 0.419 5.059 4.640 -0.000 0.000 0.247 547 D C 0.196 175.887 176.300 -1.015 0.000 1.236 547 D CA -0.113 53.420 54.000 -0.778 0.000 0.898 547 D CB 2.194 42.788 40.800 -0.343 0.000 1.401 547 D HN 0.723 nan 8.370 nan 0.000 0.549 548 A N 3.034 125.440 122.820 -0.691 0.000 1.969 548 A HA 0.026 4.345 4.320 -0.000 0.000 0.218 548 A C 1.029 178.586 177.584 -0.045 0.000 1.169 548 A CA 0.576 52.457 52.037 -0.259 0.000 0.635 548 A CB -0.136 18.880 19.000 0.026 0.000 0.810 548 A HN 0.441 nan 8.150 nan 0.000 0.445 549 V N 0.985 120.849 119.914 -0.084 0.000 2.557 549 V HA -0.032 4.088 4.120 -0.000 0.000 0.301 549 V C 0.804 176.904 176.094 0.010 0.000 1.026 549 V CA 1.114 63.392 62.300 -0.038 0.000 1.137 549 V CB -0.350 31.409 31.823 -0.107 0.000 0.917 549 V HN 0.677 nan 8.190 nan 0.000 0.484 550 Y N 2.266 122.510 120.300 -0.094 0.000 2.500 550 Y HA 0.416 4.966 4.550 -0.000 0.000 0.246 550 Y C 0.745 176.575 175.900 -0.117 0.000 1.146 550 Y CA -0.438 57.601 58.100 -0.101 0.000 1.230 550 Y CB -0.001 38.390 38.460 -0.115 0.000 1.214 550 Y HN 0.540 nan 8.280 nan 0.000 0.526 551 T N 1.007 115.237 114.554 -0.539 0.000 3.009 551 T HA 0.468 4.817 4.350 -0.000 0.000 0.346 551 T C -3.063 171.461 174.700 -0.292 0.000 1.092 551 T CA -2.042 59.782 62.100 -0.460 0.000 1.080 551 T CB 2.284 70.802 68.868 -0.582 0.000 1.037 551 T HN -0.018 nan 8.240 nan 0.000 0.487 552 P HA 0.250 nan 4.420 nan 0.000 0.274 552 P C 0.690 177.930 177.300 -0.100 0.000 1.256 552 P CA -0.650 62.367 63.100 -0.139 0.000 0.795 552 P CB 1.634 33.279 31.700 -0.092 0.000 1.038 553 R N 0.464 120.934 120.500 -0.050 0.000 2.075 553 R HA 0.002 4.341 4.340 -0.000 0.000 0.232 553 R C 0.536 176.831 176.300 -0.009 0.000 1.126 553 R CA 1.170 57.272 56.100 0.003 0.000 0.963 553 R CB -0.068 30.250 30.300 0.031 0.000 0.858 553 R HN 0.389 nan 8.270 nan 0.000 0.435 554 I N 2.818 123.376 120.570 -0.021 0.000 2.337 554 I HA 0.103 4.273 4.170 -0.000 0.000 0.285 554 I C 0.323 176.416 176.117 -0.039 0.000 1.041 554 I CA -0.265 61.021 61.300 -0.023 0.000 1.199 554 I CB 0.575 38.568 38.000 -0.013 0.000 1.370 554 I HN 0.198 nan 8.210 nan 0.000 0.470 555 T N 2.542 117.065 114.554 -0.050 0.000 2.788 555 T HA 0.290 4.640 4.350 -0.000 0.000 0.280 555 T C 1.335 176.008 174.700 -0.045 0.000 0.984 555 T CA -0.504 61.562 62.100 -0.058 0.000 0.972 555 T CB 1.592 70.415 68.868 -0.075 0.000 1.039 555 T HN 0.610 nan 8.240 nan 0.000 0.530 556 R N -0.583 119.892 120.500 -0.042 0.000 2.096 556 R HA -0.081 4.258 4.340 -0.000 0.000 0.235 556 R C 2.209 178.489 176.300 -0.033 0.000 1.127 556 R CA 1.221 57.302 56.100 -0.032 0.000 0.968 556 R CB -0.596 29.687 30.300 -0.029 0.000 0.861 556 R HN 0.630 nan 8.270 nan 0.000 0.440 557 L N 1.199 122.395 121.223 -0.044 0.000 1.989 557 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 557 L C 2.025 178.868 176.870 -0.045 0.000 1.071 557 L CA 1.760 56.571 54.840 -0.049 0.000 0.749 557 L CB -0.622 41.396 42.059 -0.068 0.000 0.890 557 L HN 0.238 nan 8.230 nan 0.000 0.431 558 L N -0.683 120.511 121.223 -0.048 0.000 2.083 558 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 558 L C 2.825 179.685 176.870 -0.018 0.000 1.083 558 L CA 1.532 56.353 54.840 -0.033 0.000 0.752 558 L CB -0.543 41.495 42.059 -0.034 0.000 0.899 558 L HN 0.384 nan 8.230 nan 0.000 0.433 559 R N 0.609 121.097 120.500 -0.019 0.000 2.070 559 R HA -0.174 4.165 4.340 -0.000 0.000 0.233 559 R C 2.067 178.362 176.300 -0.008 0.000 1.137 559 R CA 1.671 57.764 56.100 -0.012 0.000 0.945 559 R CB -0.079 30.212 30.300 -0.014 0.000 0.845 559 R HN 0.390 nan 8.270 nan 0.000 0.430 560 E N -0.292 119.902 120.200 -0.011 0.000 2.268 560 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 560 E C 1.757 178.357 176.600 -0.001 0.000 0.995 560 E CA 0.826 57.223 56.400 -0.005 0.000 0.836 560 E CB 0.048 29.744 29.700 -0.006 0.000 0.763 560 E HN 0.465 nan 8.360 nan 0.000 0.491 561 A N 1.356 124.173 122.820 -0.005 0.000 1.930 561 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 561 A C 2.053 179.645 177.584 0.014 0.000 1.176 561 A CA 1.254 53.293 52.037 0.004 0.000 0.632 561 A CB -0.192 18.803 19.000 -0.008 0.000 0.819 561 A HN 0.109 nan 8.150 nan 0.000 0.445 562 E N 0.633 120.839 120.200 0.009 0.000 2.153 562 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 562 E C 1.632 178.238 176.600 0.010 0.000 0.988 562 E CA 1.634 58.041 56.400 0.012 0.000 0.811 562 E CB -0.228 29.477 29.700 0.008 0.000 0.746 562 E HN 0.712 nan 8.360 nan 0.000 0.466 563 E N -0.766 119.438 120.200 0.007 0.000 2.435 563 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 563 E C 1.329 177.934 176.600 0.007 0.000 1.029 563 E CA 0.504 56.907 56.400 0.005 0.000 0.865 563 E CB 0.164 29.865 29.700 0.002 0.000 0.833 563 E HN 0.075 nan 8.360 nan 0.000 0.510 564 S N -0.838 114.869 115.700 0.012 0.000 2.558 564 S HA 0.109 4.579 4.470 -0.000 0.000 0.217 564 S C 1.456 176.066 174.600 0.017 0.000 0.975 564 S CA 0.752 58.962 58.200 0.015 0.000 0.912 564 S CB 0.092 63.310 63.200 0.030 0.000 0.776 564 S HN 0.437 nan 8.310 nan 0.000 0.526 565 G N 0.339 109.149 108.800 0.018 0.000 2.175 565 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.244 565 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.244 565 G C 0.248 175.166 174.900 0.030 0.000 0.982 565 G CA 0.138 45.249 45.100 0.018 0.000 0.641 565 G HN 1.030 nan 8.290 nan 0.000 0.527 566 A N -0.418 122.428 122.820 0.043 0.000 2.287 566 A HA 0.787 5.107 4.320 -0.000 0.000 0.273 566 A C 0.335 177.950 177.584 0.052 0.000 1.091 566 A CA 0.071 52.145 52.037 0.061 0.000 0.817 566 A CB 0.726 19.779 19.000 0.089 0.000 1.069 566 A HN 1.385 nan 8.150 nan 0.000 0.492 567 I N 0.574 121.180 120.570 0.060 0.000 2.472 567 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 567 I C 0.613 176.770 176.117 0.066 0.000 1.016 567 I CA 0.628 61.961 61.300 0.055 0.000 1.348 567 I CB 1.371 39.403 38.000 0.053 0.000 1.417 567 I HN 0.739 nan 8.210 nan 0.000 0.521 568 T N 4.484 119.075 114.554 0.061 0.000 2.885 568 T HA 0.762 5.112 4.350 -0.000 0.000 0.285 568 T C -0.803 173.957 174.700 0.101 0.000 1.019 568 T CA -0.770 61.374 62.100 0.073 0.000 1.010 568 T CB 1.477 70.372 68.868 0.046 0.000 1.022 568 T HN 0.349 nan 8.240 nan 0.000 0.466 569 V N 2.955 122.961 119.914 0.154 0.000 2.447 569 V HA 0.507 4.627 4.120 -0.000 0.000 0.292 569 V C 0.517 176.742 176.094 0.217 0.000 1.021 569 V CA -0.924 61.515 62.300 0.231 0.000 0.850 569 V CB 1.288 33.324 31.823 0.356 0.000 1.005 569 V HN 1.227 nan 8.190 nan 0.000 0.426 570 S N 3.380 119.170 115.700 0.149 0.000 2.603 570 S HA 0.360 4.830 4.470 -0.000 0.000 0.268 570 S C 1.517 176.187 174.600 0.117 0.000 1.317 570 S CA 0.200 58.447 58.200 0.079 0.000 1.012 570 S CB 1.547 64.800 63.200 0.088 0.000 0.926 570 S HN 1.010 nan 8.310 nan 0.000 0.539 571 G N 0.912 109.720 108.800 0.013 0.000 2.498 571 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 571 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 571 G C 1.533 176.568 174.900 0.225 0.000 1.119 571 G CA 0.773 45.922 45.100 0.083 0.000 0.766 571 G HN 1.019 nan 8.290 nan 0.000 0.552 572 S N 0.680 116.518 115.700 0.230 0.000 2.399 572 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 572 S C 1.929 176.709 174.600 0.301 0.000 1.022 572 S CA 1.368 59.721 58.200 0.255 0.000 0.983 572 S CB -0.158 63.190 63.200 0.246 0.000 0.803 572 S HN 0.355 nan 8.310 nan 0.000 0.480 573 E N 1.286 121.688 120.200 0.337 0.000 2.077 573 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 573 E C 1.982 178.752 176.600 0.283 0.000 0.989 573 E CA 1.222 57.876 56.400 0.423 0.000 0.800 573 E CB -0.445 29.468 29.700 0.354 0.000 0.746 573 E HN 0.697 nan 8.360 nan 0.000 0.452 574 M N -0.238 119.527 119.600 0.275 0.000 2.200 574 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 574 M C 2.139 178.444 176.300 0.009 0.000 1.066 574 M CA 1.109 56.514 55.300 0.175 0.000 1.127 574 M CB -0.110 32.715 32.600 0.374 0.000 1.379 574 M HN 0.023 nan 8.290 nan 0.000 0.420 575 F N 0.651 120.509 119.950 -0.154 0.000 2.102 575 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 575 F C 1.858 177.421 175.800 -0.395 0.000 1.105 575 F CA 1.796 59.582 58.000 -0.358 0.000 1.239 575 F CB -0.641 37.977 39.000 -0.636 0.000 0.991 575 F HN -0.071 nan 8.300 nan 0.000 0.474 576 V N 1.016 120.671 119.914 -0.432 0.000 2.343 576 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 576 V C 2.526 177.998 176.094 -1.037 0.000 1.051 576 V CA 2.189 64.040 62.300 -0.749 0.000 1.036 576 V CB -0.721 30.515 31.823 -0.979 0.000 0.654 576 V HN 0.276 nan 8.190 nan 0.000 0.451 577 R N 0.555 120.516 120.500 -0.899 0.000 2.073 577 R HA -0.233 4.107 4.340 -0.000 0.000 0.234 577 R C 2.455 178.092 176.300 -1.106 0.000 1.134 577 R CA 1.917 57.309 56.100 -1.180 0.000 0.952 577 R CB -0.448 29.566 30.300 -0.477 0.000 0.850 577 R HN 0.747 nan 8.270 nan 0.000 0.433 578 Q N 0.384 119.787 119.800 -0.660 0.000 2.224 578 Q HA -0.017 4.323 4.340 -0.000 0.000 0.203 578 Q C 1.752 177.416 176.000 -0.559 0.000 0.970 578 Q CA 1.682 57.191 55.803 -0.490 0.000 0.865 578 Q CB -0.253 28.313 28.738 -0.287 0.000 0.922 578 Q HN 0.263 nan 8.270 nan 0.000 0.445 579 A N 0.793 123.156 122.820 -0.761 0.000 1.897 579 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 579 A C 1.918 179.086 177.584 -0.693 0.000 1.181 579 A CA 1.154 52.790 52.037 -0.669 0.000 0.620 579 A CB -0.999 17.437 19.000 -0.940 0.000 0.821 579 A HN 0.674 nan 8.150 nan 0.000 0.443 580 Y N -0.648 119.090 120.300 -0.937 0.000 2.421 580 Y HA 0.053 4.603 4.550 -0.000 0.000 0.292 580 Y C 1.688 177.301 175.900 -0.478 0.000 1.136 580 Y CA 0.776 58.257 58.100 -1.032 0.000 1.255 580 Y CB -0.578 37.318 38.460 -0.941 0.000 0.991 580 Y HN 0.203 nan 8.280 nan 0.000 0.552 581 E N 0.961 121.014 120.200 -0.246 0.000 2.152 581 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 581 E C 1.964 178.400 176.600 -0.273 0.000 0.983 581 E CA 1.004 57.305 56.400 -0.165 0.000 0.818 581 E CB -0.191 29.384 29.700 -0.208 0.000 0.758 581 E HN 0.737 nan 8.360 nan 0.000 0.467 582 Q N -0.439 119.148 119.800 -0.355 0.000 2.172 582 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 582 Q C 2.038 177.663 176.000 -0.624 0.000 0.964 582 Q CA 0.778 56.220 55.803 -0.602 0.000 0.855 582 Q CB -0.223 28.203 28.738 -0.520 0.000 0.918 582 Q HN 0.235 nan 8.270 nan 0.000 0.444 583 F N 1.969 121.702 119.950 -0.363 0.000 2.095 583 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 583 F C 2.207 177.893 175.800 -0.189 0.000 1.104 583 F CA 1.837 59.759 58.000 -0.129 0.000 1.232 583 F CB 0.004 38.977 39.000 -0.045 0.000 0.987 583 F HN 0.035 nan 8.300 nan 0.000 0.475 584 E N 0.483 120.670 120.200 -0.023 0.000 2.077 584 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 584 E C 2.271 178.696 176.600 -0.292 0.000 0.989 584 E CA 1.785 58.114 56.400 -0.118 0.000 0.800 584 E CB -0.289 29.387 29.700 -0.041 0.000 0.746 584 E HN 0.596 nan 8.360 nan 0.000 0.452 585 I N 0.161 120.491 120.570 -0.400 0.000 2.252 585 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 585 I C 1.862 177.790 176.117 -0.315 0.000 1.102 585 I CA 0.729 61.747 61.300 -0.469 0.000 1.385 585 I CB -0.225 37.357 38.000 -0.697 0.000 1.064 585 I HN 0.131 nan 8.210 nan 0.000 0.414 586 F N 0.937 120.715 119.950 -0.287 0.000 2.113 586 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 586 F C 2.925 178.469 175.800 -0.426 0.000 1.103 586 F CA 1.769 59.603 58.000 -0.277 0.000 1.248 586 F CB -1.490 37.258 39.000 -0.420 0.000 0.999 586 F HN 0.161 nan 8.300 nan 0.000 0.475 587 T N -3.856 110.348 114.554 -0.584 0.000 3.051 587 T HA 0.374 4.724 4.350 -0.000 0.000 0.255 587 T C 1.815 176.274 174.700 -0.401 0.000 1.085 587 T CA 0.668 62.255 62.100 -0.854 0.000 1.109 587 T CB -0.005 67.920 68.868 -1.572 0.000 0.921 587 T HN 0.466 nan 8.240 nan 0.000 0.488 588 G N 1.293 109.910 108.800 -0.305 0.000 2.159 588 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.256 588 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.256 588 G C -0.127 174.696 174.900 -0.128 0.000 0.977 588 G CA 0.300 45.303 45.100 -0.161 0.000 0.652 588 G HN 0.646 nan 8.290 nan 0.000 0.531 589 L N 0.494 121.608 121.223 -0.182 0.000 2.334 589 L HA 0.492 4.832 4.340 -0.000 0.000 0.275 589 L C -1.962 174.972 176.870 0.105 0.000 1.036 589 L CA -2.517 52.312 54.840 -0.018 0.000 0.807 589 L CB 1.533 43.613 42.059 0.035 0.000 1.231 589 L HN -0.183 nan 8.230 nan 0.000 0.438 590 P HA -0.043 nan 4.420 nan 0.000 0.262 590 P C -0.616 176.761 177.300 0.128 0.000 1.182 590 P CA -0.098 63.047 63.100 0.075 0.000 0.761 590 P CB 0.494 32.214 31.700 0.032 0.000 0.795 591 A N 6.407 129.264 122.820 0.060 0.000 2.537 591 A HA 0.171 4.491 4.320 -0.000 0.000 0.260 591 A C -1.657 175.805 177.584 -0.204 0.000 1.082 591 A CA -0.656 51.361 52.037 -0.034 0.000 0.765 591 A CB -0.894 18.052 19.000 -0.090 0.000 1.019 591 A HN 0.397 nan 8.150 nan 0.000 0.507 592 P HA 0.186 nan 4.420 nan 0.000 0.232 592 P C 0.288 177.449 177.300 -0.231 0.000 1.814 592 P CA -0.355 62.606 63.100 -0.232 0.000 1.085 592 P CB 0.527 32.064 31.700 -0.270 0.000 1.901 593 K N 1.570 121.733 120.400 -0.395 0.000 2.020 593 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 593 K C 1.660 178.198 176.600 -0.103 0.000 1.050 593 K CA 1.776 57.723 56.287 -0.567 0.000 0.929 593 K CB -0.103 31.987 32.500 -0.684 0.000 0.714 593 K HN 0.383 nan 8.250 nan 0.000 0.443 594 E N 0.813 121.026 120.200 0.022 0.000 2.118 594 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 594 E C 1.991 178.659 176.600 0.114 0.000 0.992 594 E CA 0.937 57.428 56.400 0.152 0.000 0.804 594 E CB -0.114 29.622 29.700 0.061 0.000 0.741 594 E HN 0.125 nan 8.360 nan 0.000 0.458 595 L N -0.124 121.104 121.223 0.007 0.000 2.017 595 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 595 L C 1.925 178.739 176.870 -0.093 0.000 1.073 595 L CA 1.754 56.562 54.840 -0.054 0.000 0.745 595 L CB -0.544 41.434 42.059 -0.136 0.000 0.894 595 L HN 0.106 nan 8.230 nan 0.000 0.432 596 Y N -1.656 118.533 120.300 -0.184 0.000 2.224 596 Y HA -0.281 4.269 4.550 -0.000 0.000 0.289 596 Y C 2.182 177.993 175.900 -0.148 0.000 1.146 596 Y CA 2.192 60.155 58.100 -0.228 0.000 1.182 596 Y CB -0.517 37.758 38.460 -0.308 0.000 0.983 596 Y HN 0.227 nan 8.280 nan 0.000 0.524 597 W N -0.019 121.357 121.300 0.127 0.000 2.358 597 W HA -0.227 4.433 4.660 -0.000 0.000 0.303 597 W C 2.687 179.222 176.519 0.027 0.000 1.208 597 W CA 1.469 58.864 57.345 0.084 0.000 1.274 597 W CB -0.505 28.993 29.460 0.063 0.000 1.138 597 W HN 0.069 nan 8.180 nan 0.000 0.515 598 Q N 0.800 120.728 119.800 0.213 0.000 2.046 598 Q HA -0.207 4.133 4.340 -0.000 0.000 0.200 598 Q C 2.018 178.045 176.000 0.045 0.000 0.975 598 Q CA 1.990 57.850 55.803 0.095 0.000 0.836 598 Q CB -0.439 28.329 28.738 0.049 0.000 0.896 598 Q HN 0.329 nan 8.270 nan 0.000 0.428 599 I N 0.378 120.963 120.570 0.024 0.000 2.208 599 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 599 I C 2.537 178.711 176.117 0.094 0.000 1.097 599 I CA 1.127 62.470 61.300 0.073 0.000 1.363 599 I CB -0.227 37.697 38.000 -0.127 0.000 1.051 599 I HN 0.383 nan 8.210 nan 0.000 0.413 600 M N 0.326 119.971 119.600 0.076 0.000 2.117 600 M HA -0.199 4.281 4.480 -0.000 0.000 0.262 600 M C 2.497 178.865 176.300 0.113 0.000 1.065 600 M CA 1.874 57.249 55.300 0.125 0.000 1.114 600 M CB -0.425 32.281 32.600 0.176 0.000 1.361 600 M HN 0.163 nan 8.290 nan 0.000 0.408 601 S N -0.420 115.341 115.700 0.103 0.000 2.356 601 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 601 S C 2.110 176.686 174.600 -0.041 0.000 1.032 601 S CA 1.850 60.081 58.200 0.053 0.000 1.005 601 S CB -0.322 62.911 63.200 0.054 0.000 0.867 601 S HN 0.602 nan 8.310 nan 0.000 0.449 602 K N -1.399 118.916 120.400 -0.143 0.000 2.076 602 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 602 K C 1.198 177.526 176.600 -0.453 0.000 1.051 602 K CA 1.173 57.231 56.287 -0.381 0.000 0.949 602 K CB -0.098 32.002 32.500 -0.666 0.000 0.726 602 K HN 0.512 nan 8.250 nan 0.000 0.443 603 Y N -1.608 118.690 120.300 -0.005 0.000 2.430 603 Y HA 0.300 4.850 4.550 -0.000 0.000 0.248 603 Y C 1.518 177.424 175.900 0.010 0.000 1.108 603 Y CA 0.078 58.172 58.100 -0.010 0.000 1.264 603 Y CB 1.136 39.569 38.460 -0.044 0.000 1.172 603 Y HN 0.087 nan 8.280 nan 0.000 0.520 604 G N -0.775 108.111 108.800 0.143 0.000 3.805 604 G HA2 0.117 4.077 3.960 -0.000 0.000 0.290 604 G HA3 0.117 4.077 3.960 -0.000 0.000 0.290 604 G C 0.927 175.884 174.900 0.096 0.000 1.077 604 G CA 0.401 45.575 45.100 0.124 0.000 0.852 604 G HN 0.276 nan 8.290 nan 0.000 0.531 605 S N -0.360 115.381 115.700 0.069 0.000 2.503 605 S HA 0.220 4.690 4.470 -0.000 0.000 0.217 605 S C 1.057 175.676 174.600 0.031 0.000 0.999 605 S CA -0.494 57.735 58.200 0.048 0.000 0.914 605 S CB 0.271 63.487 63.200 0.027 0.000 0.782 605 S HN 0.297 nan 8.310 nan 0.000 0.520 606 R N 1.811 122.332 120.500 0.034 0.000 2.543 606 R HA 0.335 4.675 4.340 -0.000 0.000 0.277 606 R C -0.097 176.197 176.300 -0.011 0.000 1.074 606 R CA 0.013 56.121 56.100 0.014 0.000 1.076 606 R CB 0.355 30.669 30.300 0.023 0.000 0.993 606 R HN 0.390 nan 8.270 nan 0.000 0.459 607 E N 1.492 121.674 120.200 -0.031 0.000 2.239 607 E HA 0.139 4.489 4.350 -0.000 0.000 0.261 607 E C 0.065 176.616 176.600 -0.082 0.000 1.016 607 E CA -0.770 55.592 56.400 -0.063 0.000 0.882 607 E CB 0.742 30.411 29.700 -0.051 0.000 1.190 607 E HN 0.488 nan 8.360 nan 0.000 0.415 608 N N 0.172 118.800 118.700 -0.121 0.000 2.735 608 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 608 N C -0.746 174.675 175.510 -0.149 0.000 1.083 608 N CA 0.592 53.583 53.050 -0.098 0.000 0.703 608 N CB -1.383 37.112 38.487 0.014 0.000 1.005 608 N HN 0.349 nan 8.380 nan 0.000 0.550 609 L N 0.595 121.627 121.223 -0.318 0.000 2.289 609 L HA 0.403 4.742 4.340 -0.000 0.000 0.285 609 L C -0.234 176.247 176.870 -0.649 0.000 1.049 609 L CA -0.514 54.086 54.840 -0.401 0.000 0.804 609 L CB 0.625 42.478 42.059 -0.345 0.000 1.195 609 L HN -0.010 nan 8.230 nan 0.000 0.428 610 Y N 2.361 122.372 120.300 -0.482 0.000 2.373 610 Y HA 0.410 4.960 4.550 -0.000 0.000 0.336 610 Y C -0.587 174.982 175.900 -0.553 0.000 0.979 610 Y CA -0.514 57.373 58.100 -0.356 0.000 1.080 610 Y CB 1.642 39.999 38.460 -0.172 0.000 1.190 610 Y HN 0.289 nan 8.280 nan 0.000 0.446 611 F N 3.909 123.845 119.950 -0.023 0.000 2.313 611 F HA 0.504 5.031 4.527 -0.000 0.000 0.369 611 F C 0.103 175.824 175.800 -0.132 0.000 1.109 611 F CA -0.483 57.449 58.000 -0.113 0.000 1.132 611 F CB 0.711 39.517 39.000 -0.323 0.000 1.291 611 F HN 0.479 nan 8.300 nan 0.000 0.496 612 Q N 0.000 119.852 119.800 0.087 0.000 2.315 612 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 612 Q CA 0.000 55.843 55.803 0.066 0.000 1.022 612 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 612 Q HN 0.000 nan 8.270 nan 0.000 0.481