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 3lnk_1_B DATA FIRST_RESID 57 DATA SEQUENCE RGSFVEMVDN LRGKSGQGYY VEMTVGSPPQ TLNILVDTGS SNFAVGAAPH DATA SEQUENCE PFLHRYYQRQ LSSTYRDLRK GVYVPYTQGK WEGELGTDLV SIPHGPNVTV DATA SEQUENCE RANIAAITES DKFFINGSNW EGILGLAYAE IARPDDSLEP FFDSLVKQTH DATA SEQUENCE VPNLFSLQLc GAGFPLNQSE VLASVGGSMI IGGIDHSLYT GSLWYTPIRR DATA SEQUENCE EWYYEVIIVR VEINGQDLKM DcKEYNYDKS IVDSGTTNLR LPKKVFEAAV DATA SEQUENCE KSIKAASSTE KFPDGFWLGE QLVcWQAGTT PWNIFPVISL YLMGEVTNQS DATA SEQUENCE FRITILPQQY LRPVEDXXXS QDDcYKFAIS QSSTGTVMGA VIMEGFYVVF DATA SEQUENCE DRARKRIGFA VSAcHVHDEF RTAAVEGPFV TLDMEDcGYN 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 57 R HA 0.000 nan 4.340 nan 0.000 0.208 57 R C 0.000 176.338 176.300 0.064 0.000 0.893 57 R CA 0.000 56.050 56.100 -0.084 0.000 0.921 57 R CB 0.000 30.128 30.300 -0.286 0.000 0.687 58 G N 0.101 108.944 108.800 0.072 0.000 3.377 58 G HA2 0.086 4.046 3.960 -0.000 0.000 0.257 58 G HA3 0.086 4.046 3.960 -0.000 0.000 0.257 58 G C -0.235 174.800 174.900 0.224 0.000 1.038 58 G CA 0.138 45.439 45.100 0.335 0.000 0.809 58 G HN 0.337 nan 8.290 nan 0.000 0.526 59 S N -0.192 115.471 115.700 -0.062 0.000 2.614 59 S HA 0.685 5.155 4.470 -0.000 0.000 0.288 59 S C -1.588 172.822 174.600 -0.316 0.000 1.137 59 S CA -0.624 57.549 58.200 -0.045 0.000 0.992 59 S CB 0.777 63.950 63.200 -0.046 0.000 1.026 59 S HN 0.089 nan 8.310 nan 0.000 0.486 60 F N 4.376 124.351 119.950 0.041 0.000 2.564 60 F HA 0.301 4.828 4.527 -0.000 0.000 0.329 60 F C 1.196 177.021 175.800 0.041 0.000 1.458 60 F CA -0.608 57.421 58.000 0.049 0.000 1.117 60 F CB 0.745 39.784 39.000 0.065 0.000 1.383 60 F HN 0.453 nan 8.300 nan 0.000 0.571 61 V N 0.781 120.764 119.914 0.116 0.000 2.370 61 V HA -0.326 3.794 4.120 -0.000 0.000 0.252 61 V C 2.603 178.759 176.094 0.102 0.000 1.068 61 V CA 2.453 64.803 62.300 0.083 0.000 1.061 61 V CB -0.332 31.515 31.823 0.039 0.000 0.656 61 V HN 0.657 nan 8.190 nan 0.000 0.455 62 E N -0.007 120.269 120.200 0.126 0.000 2.265 62 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 62 E C 1.853 178.555 176.600 0.170 0.000 0.996 62 E CA 1.689 58.176 56.400 0.144 0.000 0.832 62 E CB -0.297 29.484 29.700 0.134 0.000 0.756 62 E HN 0.623 nan 8.360 nan 0.000 0.491 63 M N 0.606 120.310 119.600 0.173 0.000 2.421 63 M HA 0.147 4.627 4.480 -0.000 0.000 0.258 63 M C 0.360 176.717 176.300 0.096 0.000 1.122 63 M CA -0.129 55.258 55.300 0.145 0.000 1.078 63 M CB 1.284 33.971 32.600 0.144 0.000 1.380 63 M HN -0.207 nan 8.290 nan 0.000 0.499 64 V N 3.045 123.015 119.914 0.092 0.000 2.673 64 V HA -0.096 4.024 4.120 -0.000 0.000 0.303 64 V C 0.137 176.234 176.094 0.005 0.000 1.046 64 V CA 0.747 63.073 62.300 0.044 0.000 1.126 64 V CB 0.129 31.977 31.823 0.041 0.000 0.934 64 V HN 0.556 nan 8.190 nan 0.000 0.487 65 D N 2.804 123.194 120.400 -0.016 0.000 2.907 65 D HA -0.167 4.473 4.640 -0.000 0.000 0.226 65 D C 0.869 177.125 176.300 -0.073 0.000 1.141 65 D CA 1.217 55.191 54.000 -0.044 0.000 0.779 65 D CB -1.143 39.629 40.800 -0.046 0.000 1.095 65 D HN 0.923 nan 8.370 nan 0.000 0.430 66 N N 0.015 118.686 118.700 -0.048 0.000 2.336 66 N HA -0.010 4.730 4.740 -0.000 0.000 0.189 66 N C 0.476 175.952 175.510 -0.057 0.000 1.113 66 N CA 0.160 53.178 53.050 -0.054 0.000 0.858 66 N CB 0.191 38.704 38.487 0.044 0.000 0.970 66 N HN 0.343 nan 8.380 nan 0.000 0.471 67 L N 0.140 121.320 121.223 -0.072 0.000 2.344 67 L HA 0.548 4.888 4.340 -0.000 0.000 0.272 67 L C 0.426 177.196 176.870 -0.166 0.000 1.035 67 L CA -0.839 53.936 54.840 -0.108 0.000 0.807 67 L CB 1.453 43.483 42.059 -0.047 0.000 1.237 67 L HN -0.057 nan 8.230 nan 0.000 0.442 68 R N 0.073 120.336 120.500 -0.395 0.000 2.855 68 R HA 0.812 5.152 4.340 -0.000 0.000 0.266 68 R C -0.512 175.463 176.300 -0.542 0.000 1.034 68 R CA -0.445 55.388 56.100 -0.445 0.000 0.944 68 R CB 2.284 32.272 30.300 -0.520 0.000 1.219 68 R HN 0.861 nan 8.270 nan 0.000 0.474 69 G N 0.863 109.486 108.800 -0.294 0.000 2.352 69 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.324 69 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.324 69 G C -1.727 172.816 174.900 -0.595 0.000 1.249 69 G CA -0.419 44.510 45.100 -0.286 0.000 1.053 69 G HN 0.702 nan 8.290 nan 0.000 0.492 70 K N -2.231 117.672 120.400 -0.828 0.000 2.579 70 K HA 0.697 5.017 4.320 -0.000 0.000 0.284 70 K C 1.270 177.535 176.600 -0.558 0.000 0.990 70 K CA 0.125 55.994 56.287 -0.697 0.000 0.880 70 K CB 1.225 33.580 32.500 -0.241 0.000 1.488 70 K HN 1.356 nan 8.250 nan 0.000 0.425 71 S N 0.167 115.784 115.700 -0.139 0.000 2.374 71 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 71 S C 1.912 176.519 174.600 0.012 0.000 1.037 71 S CA 1.509 59.749 58.200 0.067 0.000 1.024 71 S CB -1.016 62.270 63.200 0.144 0.000 0.861 71 S HN 0.829 nan 8.310 nan 0.000 0.456 72 G N 0.510 109.301 108.800 -0.015 0.000 2.443 72 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.219 72 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.219 72 G C 1.425 176.326 174.900 0.003 0.000 1.131 72 G CA 0.582 45.681 45.100 -0.002 0.000 0.775 72 G HN 0.659 nan 8.290 nan 0.000 0.547 73 Q N -0.897 118.899 119.800 -0.006 0.000 2.164 73 Q HA 0.381 4.721 4.340 -0.000 0.000 0.226 73 Q C 0.714 176.853 176.000 0.232 0.000 0.813 73 Q CA 0.168 56.014 55.803 0.072 0.000 0.978 73 Q CB 1.717 30.465 28.738 0.017 0.000 1.149 73 Q HN 0.445 nan 8.270 nan 0.000 0.489 74 G N 0.809 109.649 108.800 0.066 0.000 2.663 74 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 74 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 74 G C -1.352 173.510 174.900 -0.063 0.000 1.246 74 G CA -0.961 44.166 45.100 0.045 0.000 0.795 74 G HN 0.133 nan 8.290 nan 0.000 0.627 75 Y N 0.346 120.662 120.300 0.027 0.000 2.342 75 Y HA 0.668 5.217 4.550 -0.000 0.000 0.334 75 Y C 0.751 176.638 175.900 -0.022 0.000 1.067 75 Y CA -0.079 58.009 58.100 -0.020 0.000 1.128 75 Y CB 1.723 40.142 38.460 -0.068 0.000 1.200 75 Y HN 0.800 nan 8.280 nan 0.000 0.464 76 Y N 0.257 120.610 120.300 0.089 0.000 2.576 76 Y HA 0.825 5.375 4.550 -0.000 0.000 0.346 76 Y C -1.752 174.172 175.900 0.040 0.000 1.018 76 Y CA -1.686 56.422 58.100 0.013 0.000 1.050 76 Y CB 0.968 39.462 38.460 0.057 0.000 1.280 76 Y HN 0.401 nan 8.280 nan 0.000 0.474 77 V N 1.771 121.780 119.914 0.158 0.000 2.769 77 V HA 0.396 4.516 4.120 -0.000 0.000 0.312 77 V C -0.723 175.472 176.094 0.169 0.000 1.061 77 V CA -0.840 61.515 62.300 0.093 0.000 0.931 77 V CB 1.798 33.622 31.823 0.001 0.000 1.010 77 V HN 0.984 nan 8.190 nan 0.000 0.433 78 E N 4.931 125.231 120.200 0.168 0.000 2.338 78 E HA 0.500 4.850 4.350 -0.000 0.000 0.272 78 E C -0.805 175.836 176.600 0.068 0.000 1.029 78 E CA -0.213 56.281 56.400 0.157 0.000 0.872 78 E CB 0.937 30.754 29.700 0.194 0.000 1.015 78 E HN 0.672 nan 8.360 nan 0.000 0.417 79 M N 1.767 121.392 119.600 0.042 0.000 2.631 79 M HA 0.330 4.810 4.480 -0.000 0.000 0.288 79 M C -0.763 175.542 176.300 0.009 0.000 1.260 79 M CA -0.911 54.382 55.300 -0.011 0.000 0.842 79 M CB 2.533 35.096 32.600 -0.062 0.000 1.743 79 M HN 0.582 nan 8.290 nan 0.000 0.461 80 T N -0.740 113.814 114.554 -0.000 0.000 2.876 80 T HA 0.848 5.198 4.350 -0.000 0.000 0.289 80 T C -1.058 173.649 174.700 0.012 0.000 1.014 80 T CA -0.715 61.390 62.100 0.007 0.000 0.986 80 T CB 1.535 70.408 68.868 0.008 0.000 1.021 80 T HN 0.424 nan 8.240 nan 0.000 0.458 81 V N 1.850 121.756 119.914 -0.013 0.000 2.789 81 V HA 0.890 5.010 4.120 -0.000 0.000 0.311 81 V C 0.892 177.000 176.094 0.023 0.000 1.073 81 V CA 0.338 62.609 62.300 -0.048 0.000 0.921 81 V CB 1.049 32.697 31.823 -0.291 0.000 1.009 81 V HN 1.689 nan 8.190 nan 0.000 0.426 82 G N 3.759 112.614 108.800 0.092 0.000 2.796 82 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.571 82 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.571 82 G C -0.421 174.546 174.900 0.112 0.000 1.370 82 G CA -0.229 44.971 45.100 0.167 0.000 0.856 82 G HN 1.090 nan 8.290 nan 0.000 0.538 83 S N 2.347 118.114 115.700 0.112 0.000 2.707 83 S HA 0.691 5.161 4.470 -0.000 0.000 0.303 83 S C -2.219 172.420 174.600 0.065 0.000 1.132 83 S CA -0.570 57.675 58.200 0.075 0.000 1.046 83 S CB 2.708 65.949 63.200 0.069 0.000 1.004 83 S HN 0.803 nan 8.310 nan 0.000 0.483 84 P HA 0.287 nan 4.420 nan 0.000 0.272 84 P C -2.889 174.438 177.300 0.045 0.000 1.240 84 P CA -1.574 61.549 63.100 0.039 0.000 0.791 84 P CB -0.797 30.918 31.700 0.026 0.000 0.978 85 P HA 0.111 nan 4.420 nan 0.000 0.267 85 P C -0.569 176.749 177.300 0.031 0.000 1.205 85 P CA 0.502 63.623 63.100 0.035 0.000 0.765 85 P CB 0.258 31.971 31.700 0.023 0.000 0.828 86 Q N 1.340 121.162 119.800 0.036 0.000 2.347 86 Q HA 0.290 4.630 4.340 -0.000 0.000 0.262 86 Q C -0.276 175.730 176.000 0.009 0.000 0.980 86 Q CA -0.428 55.391 55.803 0.027 0.000 0.867 86 Q CB 1.015 29.791 28.738 0.063 0.000 1.242 86 Q HN 0.357 nan 8.270 nan 0.000 0.453 87 T N 3.807 118.365 114.554 0.008 0.000 2.851 87 T HA 0.439 4.789 4.350 -0.000 0.000 0.298 87 T C -0.151 174.551 174.700 0.003 0.000 0.977 87 T CA -0.032 62.077 62.100 0.014 0.000 1.126 87 T CB 0.257 69.142 68.868 0.028 0.000 0.916 87 T HN 0.343 nan 8.240 nan 0.000 0.529 88 L N 3.146 124.377 121.223 0.013 0.000 2.434 88 L HA 0.467 4.807 4.340 -0.000 0.000 0.260 88 L C -0.430 176.469 176.870 0.048 0.000 0.983 88 L CA -1.257 53.585 54.840 0.005 0.000 0.820 88 L CB 2.123 44.178 42.059 -0.007 0.000 1.361 88 L HN 0.437 nan 8.230 nan 0.000 0.410 89 N N 2.827 121.549 118.700 0.038 0.000 2.434 89 N HA 0.489 5.229 4.740 -0.000 0.000 0.272 89 N C -0.989 174.595 175.510 0.124 0.000 1.040 89 N CA -0.288 52.816 53.050 0.091 0.000 0.956 89 N CB 1.695 40.117 38.487 -0.110 0.000 1.108 89 N HN 0.303 nan 8.380 nan 0.000 0.481 90 I N 2.708 123.378 120.570 0.166 0.000 2.418 90 I HA 0.215 4.384 4.170 -0.000 0.000 0.287 90 I C 0.109 176.215 176.117 -0.017 0.000 1.008 90 I CA -0.957 60.397 61.300 0.089 0.000 1.104 90 I CB 1.396 39.450 38.000 0.091 0.000 1.264 90 I HN 0.287 nan 8.210 nan 0.000 0.438 91 L N 7.817 128.850 121.223 -0.316 0.000 2.513 91 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 91 L C -0.139 176.547 176.870 -0.306 0.000 1.187 91 L CA 0.445 54.931 54.840 -0.591 0.000 0.895 91 L CB 0.580 41.800 42.059 -1.398 0.000 1.147 91 L HN 0.341 nan 8.230 nan 0.000 0.483 92 V N 5.369 125.163 119.914 -0.199 0.000 2.387 92 V HA 0.188 4.308 4.120 -0.000 0.000 0.260 92 V C -0.210 175.778 176.094 -0.176 0.000 1.054 92 V CA -0.208 61.983 62.300 -0.181 0.000 0.967 92 V CB 0.701 32.436 31.823 -0.147 0.000 1.036 92 V HN 0.774 nan 8.190 nan 0.000 0.481 93 D N 3.406 123.703 120.400 -0.171 0.000 2.454 93 D HA 0.221 4.860 4.640 -0.000 0.000 0.247 93 D C 1.188 177.445 176.300 -0.071 0.000 1.129 93 D CA -0.189 53.747 54.000 -0.107 0.000 0.877 93 D CB 1.740 42.492 40.800 -0.079 0.000 1.082 93 D HN 0.579 nan 8.370 nan 0.000 0.537 94 T N -0.203 114.311 114.554 -0.066 0.000 3.118 94 T HA 0.092 4.442 4.350 -0.000 0.000 0.260 94 T C 1.549 176.377 174.700 0.214 0.000 1.139 94 T CA 0.438 62.551 62.100 0.023 0.000 1.085 94 T CB 0.137 68.903 68.868 -0.170 0.000 0.934 94 T HN 0.291 nan 8.240 nan 0.000 0.518 95 G N 0.810 109.702 108.800 0.154 0.000 3.189 95 G HA2 0.433 4.393 3.960 -0.000 0.000 0.225 95 G HA3 0.433 4.393 3.960 -0.000 0.000 0.225 95 G C 0.313 175.361 174.900 0.247 0.000 1.159 95 G CA 0.129 45.363 45.100 0.223 0.000 0.763 95 G HN 0.797 nan 8.290 nan 0.000 0.549 96 S N -2.070 113.728 115.700 0.163 0.000 2.656 96 S HA 0.632 5.102 4.470 -0.000 0.000 0.273 96 S C -0.100 174.556 174.600 0.093 0.000 1.168 96 S CA -0.268 58.028 58.200 0.161 0.000 0.817 96 S CB 1.749 65.132 63.200 0.304 0.000 1.146 96 S HN -0.063 nan 8.310 nan 0.000 0.475 97 S N 0.200 115.958 115.700 0.096 0.000 2.900 97 S HA 0.384 4.854 4.470 -0.000 0.000 0.253 97 S C -0.555 174.134 174.600 0.149 0.000 1.029 97 S CA -0.447 57.804 58.200 0.085 0.000 1.096 97 S CB -0.354 62.868 63.200 0.036 0.000 1.067 97 S HN 0.676 nan 8.310 nan 0.000 0.610 98 N N 1.263 120.089 118.700 0.209 0.000 2.443 98 N HA 0.464 5.203 4.740 -0.000 0.000 0.295 98 N C -1.283 174.407 175.510 0.299 0.000 1.076 98 N CA -0.429 52.782 53.050 0.269 0.000 0.919 98 N CB 0.987 39.690 38.487 0.359 0.000 1.176 98 N HN 0.281 nan 8.380 nan 0.000 0.487 99 F N 2.064 122.071 119.950 0.096 0.000 2.371 99 F HA 0.651 5.178 4.527 -0.000 0.000 0.363 99 F C -0.445 175.328 175.800 -0.045 0.000 1.122 99 F CA -0.650 57.357 58.000 0.011 0.000 1.129 99 F CB 0.295 39.310 39.000 0.024 0.000 1.173 99 F HN 0.449 nan 8.300 nan 0.000 0.489 100 A N 6.044 128.627 122.820 -0.394 0.000 2.422 100 A HA 0.731 5.051 4.320 -0.000 0.000 0.302 100 A C -1.443 175.810 177.584 -0.551 0.000 1.041 100 A CA -0.555 51.103 52.037 -0.632 0.000 0.708 100 A CB 1.634 19.983 19.000 -1.085 0.000 1.257 100 A HN 0.939 nan 8.150 nan 0.000 0.414 101 V N -0.164 119.477 119.914 -0.456 0.000 2.789 101 V HA 0.915 5.034 4.120 -0.000 0.000 0.311 101 V C 0.406 176.495 176.094 -0.008 0.000 1.073 101 V CA -0.231 61.950 62.300 -0.198 0.000 0.921 101 V CB 1.254 32.907 31.823 -0.284 0.000 1.009 101 V HN 1.673 nan 8.190 nan 0.000 0.426 102 G N 2.054 110.946 108.800 0.153 0.000 2.305 102 G HA2 0.504 4.463 3.960 -0.000 0.000 0.243 102 G HA3 0.504 4.463 3.960 -0.000 0.000 0.243 102 G C 0.522 175.490 174.900 0.113 0.000 1.288 102 G CA 0.205 45.384 45.100 0.130 0.000 0.901 102 G HN 1.991 nan 8.290 nan 0.000 0.516 103 A N 1.417 124.270 122.820 0.056 0.000 2.624 103 A HA 0.783 5.103 4.320 -0.000 0.000 0.287 103 A C 0.628 178.129 177.584 -0.138 0.000 1.087 103 A CA 0.734 52.821 52.037 0.083 0.000 0.964 103 A CB 0.141 19.168 19.000 0.045 0.000 1.231 103 A HN 1.923 nan 8.150 nan 0.000 0.551 104 A N 0.037 122.558 122.820 -0.498 0.000 2.604 104 A HA 0.753 5.072 4.320 -0.000 0.000 0.295 104 A C -3.328 173.637 177.584 -1.032 0.000 1.067 104 A CA -1.386 50.178 52.037 -0.787 0.000 0.683 104 A CB 0.577 19.394 19.000 -0.304 0.000 1.281 104 A HN 0.013 nan 8.150 nan 0.000 0.407 105 P HA 0.223 nan 4.420 nan 0.000 0.265 105 P C -0.804 176.371 177.300 -0.209 0.000 1.187 105 P CA 0.626 63.451 63.100 -0.459 0.000 0.766 105 P CB 0.194 31.776 31.700 -0.196 0.000 0.820 106 H N 3.194 122.126 119.070 -0.229 0.000 2.974 106 H HA 0.225 4.781 4.556 -0.000 0.000 0.366 106 H C -2.096 173.130 175.328 -0.170 0.000 1.155 106 H CA -1.977 53.947 56.048 -0.207 0.000 1.186 106 H CB 2.102 31.712 29.762 -0.254 0.000 1.799 106 H HN 0.136 nan 8.280 nan 0.000 0.541 107 P HA -0.103 nan 4.420 nan 0.000 0.217 107 P C 0.968 178.353 177.300 0.143 0.000 1.148 107 P CA 1.430 64.382 63.100 -0.247 0.000 0.828 107 P CB -0.048 31.385 31.700 -0.445 0.000 0.783 108 F N -2.007 118.074 119.950 0.219 0.000 2.765 108 F HA 0.166 4.693 4.527 -0.000 0.000 0.302 108 F C 0.979 176.744 175.800 -0.059 0.000 1.111 108 F CA -0.595 57.460 58.000 0.092 0.000 1.359 108 F CB 0.136 39.193 39.000 0.094 0.000 1.097 108 F HN -0.197 nan 8.300 nan 0.000 0.577 109 L N 1.237 122.508 121.223 0.081 0.000 2.317 109 L HA 0.242 4.582 4.340 -0.000 0.000 0.281 109 L C 1.125 178.005 176.870 0.016 0.000 1.024 109 L CA -0.583 54.194 54.840 -0.105 0.000 0.810 109 L CB 1.193 43.094 42.059 -0.263 0.000 1.240 109 L HN 0.189 nan 8.230 nan 0.000 0.427 110 H N 2.710 121.767 119.070 -0.022 0.000 2.652 110 H HA 0.277 4.833 4.556 -0.000 0.000 0.274 110 H C -0.130 175.191 175.328 -0.012 0.000 1.021 110 H CA -0.529 55.517 56.048 -0.005 0.000 1.187 110 H CB 0.766 30.516 29.762 -0.021 0.000 1.505 110 H HN 0.661 nan 8.280 nan 0.000 0.530 111 R N -0.010 120.334 120.500 -0.260 0.000 2.692 111 R HA 0.431 4.771 4.340 -0.000 0.000 0.269 111 R C -2.056 174.195 176.300 -0.082 0.000 1.030 111 R CA -0.966 55.007 56.100 -0.213 0.000 0.882 111 R CB 1.545 31.698 30.300 -0.245 0.000 1.250 111 R HN 0.116 nan 8.270 nan 0.000 0.465 112 Y N -1.620 118.615 120.300 -0.109 0.000 2.656 112 Y HA 0.463 5.013 4.550 -0.000 0.000 0.334 112 Y C -1.674 174.241 175.900 0.024 0.000 1.179 112 Y CA -1.696 56.362 58.100 -0.071 0.000 1.050 112 Y CB 0.654 39.059 38.460 -0.091 0.000 1.308 112 Y HN 0.596 nan 8.280 nan 0.000 0.456 113 Y N 3.040 123.382 120.300 0.071 0.000 2.465 113 Y HA 0.300 4.850 4.550 -0.000 0.000 0.331 113 Y C -0.499 175.418 175.900 0.028 0.000 1.102 113 Y CA -0.632 57.463 58.100 -0.008 0.000 1.358 113 Y CB 0.817 39.258 38.460 -0.032 0.000 1.213 113 Y HN 0.692 nan 8.280 nan 0.000 0.525 114 Q N 7.479 127.228 119.800 -0.086 0.000 2.466 114 Q HA 0.274 4.614 4.340 -0.000 0.000 0.242 114 Q C 0.892 176.625 176.000 -0.446 0.000 1.046 114 Q CA -0.464 55.202 55.803 -0.228 0.000 0.841 114 Q CB 1.068 29.708 28.738 -0.163 0.000 1.193 114 Q HN 0.818 nan 8.270 nan 0.000 0.508 115 R N 1.239 121.262 120.500 -0.795 0.000 2.105 115 R HA -0.198 4.141 4.340 -0.000 0.000 0.239 115 R C 2.175 178.166 176.300 -0.516 0.000 1.135 115 R CA 1.547 57.048 56.100 -0.999 0.000 0.967 115 R CB 0.067 29.489 30.300 -1.463 0.000 0.861 115 R HN 0.587 nan 8.270 nan 0.000 0.442 116 Q N 1.188 120.788 119.800 -0.333 0.000 2.364 116 Q HA -0.140 4.200 4.340 -0.000 0.000 0.209 116 Q C 1.453 177.404 176.000 -0.081 0.000 0.977 116 Q CA 1.481 57.194 55.803 -0.150 0.000 0.885 116 Q CB -0.059 28.616 28.738 -0.105 0.000 0.941 116 Q HN 0.448 nan 8.270 nan 0.000 0.464 117 L N 0.717 121.884 121.223 -0.093 0.000 2.607 117 L HA 0.243 4.583 4.340 -0.000 0.000 0.228 117 L C 0.902 177.778 176.870 0.010 0.000 1.123 117 L CA -0.113 54.706 54.840 -0.036 0.000 0.890 117 L CB 0.358 42.392 42.059 -0.043 0.000 1.103 117 L HN -0.001 nan 8.230 nan 0.000 0.468 118 S N -0.326 115.391 115.700 0.028 0.000 2.422 118 S HA 0.172 4.642 4.470 -0.000 0.000 0.308 118 S C 1.229 175.906 174.600 0.129 0.000 1.097 118 S CA -0.443 57.823 58.200 0.110 0.000 1.099 118 S CB 1.269 64.595 63.200 0.210 0.000 0.976 118 S HN 0.311 nan 8.310 nan 0.000 0.471 119 S N 3.052 118.813 115.700 0.101 0.000 2.481 119 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 119 S C 1.413 176.075 174.600 0.103 0.000 0.996 119 S CA 1.140 59.394 58.200 0.090 0.000 0.942 119 S CB -0.718 62.518 63.200 0.061 0.000 0.768 119 S HN 0.853 nan 8.310 nan 0.000 0.520 120 T N -2.276 112.355 114.554 0.128 0.000 3.086 120 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 120 T C 0.212 175.006 174.700 0.157 0.000 1.074 120 T CA -0.636 61.533 62.100 0.115 0.000 0.988 120 T CB -0.717 68.210 68.868 0.098 0.000 0.988 120 T HN 0.425 nan 8.240 nan 0.000 0.530 121 Y N 3.194 123.547 120.300 0.088 0.000 2.610 121 Y HA 0.392 4.942 4.550 -0.000 0.000 0.332 121 Y C 0.095 176.036 175.900 0.067 0.000 1.201 121 Y CA -1.038 57.123 58.100 0.101 0.000 1.465 121 Y CB 0.378 38.877 38.460 0.066 0.000 1.283 121 Y HN 0.060 nan 8.280 nan 0.000 0.563 122 R N 4.790 124.893 120.500 -0.662 0.000 2.476 122 R HA 0.180 4.519 4.340 -0.000 0.000 0.305 122 R C -1.565 174.229 176.300 -0.843 0.000 0.965 122 R CA -1.019 54.715 56.100 -0.609 0.000 0.867 122 R CB 1.192 31.353 30.300 -0.231 0.000 1.176 122 R HN 0.642 nan 8.270 nan 0.000 0.447 123 D N 3.401 123.368 120.400 -0.722 0.000 2.295 123 D HA 0.090 4.730 4.640 -0.000 0.000 0.248 123 D C 0.658 176.881 176.300 -0.127 0.000 1.154 123 D CA -0.208 53.585 54.000 -0.345 0.000 0.857 123 D CB 1.184 41.926 40.800 -0.097 0.000 1.117 123 D HN 0.478 nan 8.370 nan 0.000 0.468 124 L N 3.496 124.696 121.223 -0.038 0.000 2.554 124 L HA 0.176 4.516 4.340 -0.000 0.000 0.226 124 L C 0.962 177.843 176.870 0.018 0.000 1.137 124 L CA -0.069 54.770 54.840 -0.003 0.000 0.863 124 L CB -0.188 41.887 42.059 0.027 0.000 0.985 124 L HN 0.501 nan 8.230 nan 0.000 0.451 125 R N 0.791 121.310 120.500 0.033 0.000 3.333 125 R HA -0.195 4.145 4.340 -0.000 0.000 0.256 125 R C -0.112 176.213 176.300 0.041 0.000 1.010 125 R CA 0.655 56.778 56.100 0.039 0.000 0.680 125 R CB -1.530 28.783 30.300 0.023 0.000 1.102 125 R HN 0.276 nan 8.270 nan 0.000 0.440 126 K N -0.397 120.037 120.400 0.056 0.000 2.542 126 K HA 0.462 4.782 4.320 -0.000 0.000 0.259 126 K C -0.193 176.450 176.600 0.072 0.000 0.932 126 K CA -0.123 56.196 56.287 0.054 0.000 0.820 126 K CB 1.833 34.363 32.500 0.049 0.000 1.345 126 K HN 0.143 nan 8.250 nan 0.000 0.432 127 G N 0.973 109.813 108.800 0.065 0.000 2.528 127 G HA2 0.565 4.525 3.960 -0.000 0.000 0.289 127 G HA3 0.565 4.525 3.960 -0.000 0.000 0.289 127 G C -1.290 173.663 174.900 0.088 0.000 1.192 127 G CA -0.523 44.627 45.100 0.082 0.000 0.921 127 G HN 0.406 nan 8.290 nan 0.000 0.512 128 V N 0.540 120.522 119.914 0.115 0.000 2.711 128 V HA 0.599 4.719 4.120 -0.000 0.000 0.304 128 V C -2.085 174.036 176.094 0.046 0.000 1.097 128 V CA -0.961 61.388 62.300 0.081 0.000 0.906 128 V CB 1.653 33.551 31.823 0.125 0.000 1.015 128 V HN 0.799 nan 8.190 nan 0.000 0.427 129 Y N 6.134 126.309 120.300 -0.208 0.000 2.328 129 Y HA 0.767 5.317 4.550 -0.000 0.000 0.336 129 Y C -0.917 174.651 175.900 -0.552 0.000 0.960 129 Y CA -0.887 57.020 58.100 -0.322 0.000 1.134 129 Y CB 2.013 40.354 38.460 -0.199 0.000 1.166 129 Y HN 0.449 nan 8.280 nan 0.000 0.464 130 V N 9.502 128.507 119.914 -1.515 0.000 2.325 130 V HA 0.407 4.527 4.120 -0.000 0.000 0.280 130 V C -2.515 172.628 176.094 -1.585 0.000 1.016 130 V CA -1.661 59.651 62.300 -1.648 0.000 0.818 130 V CB 1.307 31.884 31.823 -2.076 0.000 1.019 130 V HN 0.667 nan 8.190 nan 0.000 0.434 131 P HA 0.465 nan 4.420 nan 0.000 0.300 131 P C -1.165 175.835 177.300 -0.501 0.000 1.356 131 P CA -0.360 62.299 63.100 -0.736 0.000 0.823 131 P CB 0.870 32.289 31.700 -0.468 0.000 0.934 132 Y N 0.405 120.591 120.300 -0.190 0.000 2.453 132 Y HA 0.207 4.757 4.550 -0.000 0.000 0.344 132 Y C 2.515 178.397 175.900 -0.030 0.000 1.323 132 Y CA -0.215 57.844 58.100 -0.069 0.000 1.526 132 Y CB -0.597 37.878 38.460 0.025 0.000 1.603 132 Y HN 0.208 nan 8.280 nan 0.000 0.563 133 T N -0.216 114.452 114.554 0.189 0.000 2.592 133 T HA -0.328 4.022 4.350 -0.000 0.000 0.267 133 T C 1.719 176.471 174.700 0.087 0.000 1.060 133 T CA 2.750 64.906 62.100 0.093 0.000 1.167 133 T CB -0.564 68.340 68.868 0.060 0.000 0.863 133 T HN 0.742 nan 8.240 nan 0.000 0.431 134 Q N 0.013 119.882 119.800 0.115 0.000 2.534 134 Q HA 0.496 4.836 4.340 -0.000 0.000 0.252 134 Q C 1.323 177.412 176.000 0.149 0.000 0.850 134 Q CA 0.544 56.410 55.803 0.106 0.000 0.974 134 Q CB -0.281 28.506 28.738 0.082 0.000 1.205 134 Q HN 0.624 nan 8.270 nan 0.000 0.593 135 G N 0.782 109.714 108.800 0.219 0.000 2.448 135 G HA2 0.492 4.452 3.960 -0.000 0.000 0.285 135 G HA3 0.492 4.452 3.960 -0.000 0.000 0.285 135 G C -0.262 174.843 174.900 0.342 0.000 1.176 135 G CA 0.479 45.764 45.100 0.309 0.000 0.852 135 G HN 0.832 nan 8.290 nan 0.000 0.530 136 K N 0.607 121.152 120.400 0.240 0.000 2.532 136 K HA 0.734 5.054 4.320 -0.000 0.000 0.265 136 K C -1.455 175.133 176.600 -0.020 0.000 0.948 136 K CA -1.092 55.172 56.287 -0.039 0.000 0.842 136 K CB 1.391 33.818 32.500 -0.121 0.000 1.392 136 K HN 1.396 nan 8.250 nan 0.000 0.436 137 W N 0.433 121.553 121.300 -0.299 0.000 3.107 137 W HA 0.736 5.396 4.660 -0.000 0.000 0.331 137 W C -1.194 175.237 176.519 -0.147 0.000 1.204 137 W CA -0.666 56.514 57.345 -0.275 0.000 1.184 137 W CB 1.372 30.479 29.460 -0.588 0.000 1.421 137 W HN 0.905 nan 8.180 nan 0.000 0.544 138 E N 1.095 121.499 120.200 0.340 0.000 2.222 138 E HA 0.679 5.029 4.350 -0.000 0.000 0.267 138 E C -0.412 176.413 176.600 0.376 0.000 0.884 138 E CA -0.343 56.243 56.400 0.310 0.000 0.764 138 E CB 2.041 31.879 29.700 0.230 0.000 1.169 138 E HN 0.780 nan 8.360 nan 0.000 0.413 139 G N 2.414 111.435 108.800 0.368 0.000 2.766 139 G HA2 0.499 4.459 3.960 -0.000 0.000 0.288 139 G HA3 0.499 4.459 3.960 -0.000 0.000 0.288 139 G C -1.244 173.774 174.900 0.197 0.000 1.408 139 G CA -0.722 44.551 45.100 0.287 0.000 0.852 139 G HN 0.487 nan 8.290 nan 0.000 0.487 140 E N 0.094 120.385 120.200 0.152 0.000 2.191 140 E HA 0.387 4.736 4.350 -0.000 0.000 0.263 140 E C -0.597 176.096 176.600 0.154 0.000 0.881 140 E CA -0.485 55.995 56.400 0.133 0.000 0.757 140 E CB 2.536 32.300 29.700 0.107 0.000 1.147 140 E HN 0.242 nan 8.360 nan 0.000 0.414 141 L N 2.161 123.473 121.223 0.147 0.000 2.417 141 L HA 0.630 4.970 4.340 -0.000 0.000 0.268 141 L C 0.733 177.698 176.870 0.158 0.000 1.158 141 L CA 0.005 54.934 54.840 0.148 0.000 0.819 141 L CB 0.870 43.000 42.059 0.119 0.000 1.112 141 L HN 0.695 nan 8.230 nan 0.000 0.458 142 G N 0.307 109.210 108.800 0.172 0.000 2.548 142 G HA2 0.563 4.523 3.960 -0.000 0.000 0.301 142 G HA3 0.563 4.523 3.960 -0.000 0.000 0.301 142 G C -1.282 173.702 174.900 0.141 0.000 1.349 142 G CA -0.083 45.102 45.100 0.140 0.000 0.792 142 G HN 0.588 nan 8.290 nan 0.000 0.481 143 T N -1.976 112.626 114.554 0.080 0.000 2.916 143 T HA 0.784 5.133 4.350 -0.000 0.000 0.292 143 T C -1.450 173.349 174.700 0.165 0.000 1.055 143 T CA -0.568 61.602 62.100 0.116 0.000 1.009 143 T CB 2.914 71.818 68.868 0.060 0.000 1.118 143 T HN 0.651 nan 8.240 nan 0.000 0.497 144 D N -0.097 120.413 120.400 0.183 0.000 2.692 144 D HA 0.328 4.968 4.640 -0.000 0.000 0.290 144 D C -1.087 175.301 176.300 0.146 0.000 1.281 144 D CA -0.622 53.495 54.000 0.196 0.000 0.804 144 D CB 1.784 42.763 40.800 0.298 0.000 1.331 144 D HN 0.685 nan 8.370 nan 0.000 0.432 145 L N 1.151 122.448 121.223 0.124 0.000 2.319 145 L HA 0.504 4.844 4.340 -0.000 0.000 0.280 145 L C -0.219 176.711 176.870 0.101 0.000 1.099 145 L CA -0.612 54.284 54.840 0.094 0.000 0.828 145 L CB 1.200 43.301 42.059 0.070 0.000 1.150 145 L HN 0.068 nan 8.230 nan 0.000 0.442 146 V N 2.093 122.075 119.914 0.114 0.000 2.656 146 V HA 0.613 4.733 4.120 -0.000 0.000 0.307 146 V C -0.090 176.063 176.094 0.098 0.000 1.051 146 V CA -0.482 61.892 62.300 0.123 0.000 0.893 146 V CB 1.998 33.947 31.823 0.211 0.000 0.999 146 V HN 0.904 nan 8.190 nan 0.000 0.426 147 S N 4.263 119.991 115.700 0.048 0.000 2.632 147 S HA 0.811 5.280 4.470 -0.000 0.000 0.289 147 S C -1.085 173.509 174.600 -0.009 0.000 1.115 147 S CA -0.776 57.442 58.200 0.030 0.000 0.889 147 S CB 2.065 65.272 63.200 0.012 0.000 1.116 147 S HN 0.522 nan 8.310 nan 0.000 0.486 148 I N 2.174 122.739 120.570 -0.007 0.000 2.464 148 I HA 0.337 4.507 4.170 -0.000 0.000 0.277 148 I C -2.048 174.041 176.117 -0.047 0.000 1.040 148 I CA -2.385 58.898 61.300 -0.028 0.000 1.153 148 I CB 2.021 40.013 38.000 -0.013 0.000 1.274 148 I HN 0.474 nan 8.210 nan 0.000 0.469 149 P HA -0.180 nan 4.420 nan 0.000 0.217 149 P C 0.532 177.571 177.300 -0.435 0.000 1.151 149 P CA 1.577 64.521 63.100 -0.261 0.000 0.849 149 P CB 0.042 31.559 31.700 -0.305 0.000 0.787 150 H N -1.182 117.907 119.070 0.031 0.000 2.499 150 H HA 0.534 5.090 4.556 -0.000 0.000 0.262 150 H C 0.958 176.312 175.328 0.042 0.000 1.363 150 H CA 0.007 56.077 56.048 0.038 0.000 1.072 150 H CB 0.013 29.795 29.762 0.033 0.000 1.602 150 H HN 0.107 nan 8.280 nan 0.000 0.526 151 G N 0.834 109.678 108.800 0.074 0.000 3.058 151 G HA2 0.370 4.330 3.960 -0.000 0.000 0.282 151 G HA3 0.370 4.330 3.960 -0.000 0.000 0.282 151 G C -2.739 172.208 174.900 0.077 0.000 1.248 151 G CA -1.332 43.816 45.100 0.080 0.000 0.822 151 G HN -0.049 nan 8.290 nan 0.000 0.579 152 P HA 0.166 nan 4.420 nan 0.000 0.271 152 P C -0.515 176.811 177.300 0.043 0.000 1.218 152 P CA -0.377 62.766 63.100 0.072 0.000 0.780 152 P CB 0.584 32.318 31.700 0.057 0.000 0.901 153 N N 2.131 120.856 118.700 0.043 0.000 3.103 153 N HA 0.201 4.940 4.740 -0.000 0.000 0.305 153 N C -0.707 174.813 175.510 0.017 0.000 1.232 153 N CA -0.167 52.898 53.050 0.025 0.000 1.190 153 N CB -0.915 37.590 38.487 0.029 0.000 1.461 153 N HN 0.203 nan 8.380 nan 0.000 0.538 154 V N -1.646 118.272 119.914 0.008 0.000 3.159 154 V HA 0.723 4.843 4.120 -0.000 0.000 0.308 154 V C -0.219 175.872 176.094 -0.006 0.000 1.190 154 V CA -0.853 61.442 62.300 -0.007 0.000 1.037 154 V CB 1.798 33.603 31.823 -0.031 0.000 1.060 154 V HN 0.120 nan 8.190 nan 0.000 0.437 155 T N 1.546 116.091 114.554 -0.014 0.000 2.848 155 T HA 0.728 5.078 4.350 -0.000 0.000 0.285 155 T C -0.685 173.999 174.700 -0.026 0.000 0.995 155 T CA -0.397 61.702 62.100 -0.002 0.000 0.970 155 T CB 1.572 70.445 68.868 0.007 0.000 0.976 155 T HN 0.791 nan 8.240 nan 0.000 0.441 156 V N 2.998 122.903 119.914 -0.015 0.000 2.628 156 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 156 V C 0.047 176.137 176.094 -0.008 0.000 1.045 156 V CA -1.150 61.108 62.300 -0.069 0.000 0.905 156 V CB 1.874 33.584 31.823 -0.188 0.000 0.997 156 V HN 0.736 nan 8.190 nan 0.000 0.436 157 R N 3.324 123.809 120.500 -0.026 0.000 2.196 157 R HA 0.715 5.055 4.340 -0.000 0.000 0.340 157 R C -0.493 175.820 176.300 0.021 0.000 1.043 157 R CA 0.291 56.401 56.100 0.017 0.000 0.883 157 R CB 0.585 30.887 30.300 0.003 0.000 1.078 157 R HN 0.921 nan 8.270 nan 0.000 0.462 158 A N 4.062 126.942 122.820 0.100 0.000 2.423 158 A HA 0.533 4.853 4.320 -0.000 0.000 0.304 158 A C -1.017 176.693 177.584 0.209 0.000 1.104 158 A CA -1.068 51.060 52.037 0.152 0.000 0.757 158 A CB 1.169 20.344 19.000 0.290 0.000 1.313 158 A HN 0.783 nan 8.150 nan 0.000 0.423 159 N N 0.380 119.205 118.700 0.209 0.000 2.518 159 N HA 0.403 5.143 4.740 -0.000 0.000 0.266 159 N C -0.887 174.788 175.510 0.275 0.000 1.196 159 N CA 0.596 53.769 53.050 0.204 0.000 0.947 159 N CB 0.684 39.273 38.487 0.170 0.000 1.098 159 N HN 0.520 nan 8.380 nan 0.000 0.450 160 I N 0.741 121.420 120.570 0.183 0.000 2.534 160 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 160 I C -0.349 175.796 176.117 0.046 0.000 1.077 160 I CA -1.020 60.302 61.300 0.037 0.000 1.051 160 I CB 1.967 39.948 38.000 -0.032 0.000 1.234 160 I HN 0.361 nan 8.210 nan 0.000 0.425 161 A N 4.911 127.695 122.820 -0.060 0.000 2.269 161 A HA 0.771 5.091 4.320 -0.000 0.000 0.302 161 A C 0.218 177.736 177.584 -0.110 0.000 1.266 161 A CA -0.442 51.587 52.037 -0.014 0.000 0.894 161 A CB 0.552 19.566 19.000 0.023 0.000 1.147 161 A HN 0.808 nan 8.150 nan 0.000 0.537 162 A N 4.022 126.865 122.820 0.038 0.000 2.343 162 A HA 0.531 4.851 4.320 -0.000 0.000 0.305 162 A C 0.071 177.663 177.584 0.013 0.000 1.308 162 A CA -0.313 51.759 52.037 0.058 0.000 0.949 162 A CB -0.529 18.519 19.000 0.080 0.000 1.148 162 A HN 0.767 nan 8.150 nan 0.000 0.545 163 I N 3.431 123.971 120.570 -0.049 0.000 2.505 163 I HA 0.045 4.214 4.170 -0.000 0.000 0.287 163 I C 1.623 177.783 176.117 0.071 0.000 1.104 163 I CA 0.360 61.662 61.300 0.003 0.000 1.387 163 I CB 0.968 38.922 38.000 -0.077 0.000 1.404 163 I HN 0.830 nan 8.210 nan 0.000 0.528 164 T N 1.218 115.828 114.554 0.094 0.000 3.015 164 T HA 0.276 4.626 4.350 -0.000 0.000 0.250 164 T C 0.515 175.267 174.700 0.087 0.000 1.057 164 T CA -0.033 62.101 62.100 0.056 0.000 1.066 164 T CB 0.224 69.116 68.868 0.040 0.000 0.959 164 T HN 0.556 nan 8.240 nan 0.000 0.488 165 E N 0.850 121.137 120.200 0.145 0.000 2.356 165 E HA 0.623 4.972 4.350 -0.000 0.000 0.275 165 E C -1.367 175.362 176.600 0.214 0.000 0.904 165 E CA -0.892 55.604 56.400 0.160 0.000 0.757 165 E CB 2.460 32.232 29.700 0.121 0.000 1.232 165 E HN 0.392 nan 8.360 nan 0.000 0.442 166 S N 0.992 116.829 115.700 0.228 0.000 2.588 166 S HA 0.587 5.056 4.470 -0.000 0.000 0.269 166 S C -1.732 172.998 174.600 0.218 0.000 1.157 166 S CA -1.003 57.331 58.200 0.225 0.000 0.824 166 S CB 2.160 65.478 63.200 0.197 0.000 1.126 166 S HN 0.458 nan 8.310 nan 0.000 0.464 167 D N 0.497 121.022 120.400 0.207 0.000 2.479 167 D HA 0.345 4.984 4.640 -0.000 0.000 0.246 167 D C -0.776 175.648 176.300 0.207 0.000 1.336 167 D CA -0.347 53.764 54.000 0.185 0.000 0.967 167 D CB 0.627 41.515 40.800 0.147 0.000 1.275 167 D HN 0.744 nan 8.370 nan 0.000 0.577 168 K N 2.158 122.684 120.400 0.210 0.000 3.069 168 K HA -0.250 4.070 4.320 -0.000 0.000 0.267 168 K C 0.208 176.942 176.600 0.224 0.000 1.082 168 K CA 0.563 56.974 56.287 0.206 0.000 0.782 168 K CB -1.415 31.184 32.500 0.166 0.000 1.230 168 K HN 0.422 nan 8.250 nan 0.000 0.488 169 F N 0.333 120.301 119.950 0.030 0.000 2.289 169 F HA 0.240 4.767 4.527 -0.000 0.000 0.280 169 F C 0.747 176.470 175.800 -0.129 0.000 1.045 169 F CA 0.120 58.082 58.000 -0.064 0.000 1.236 169 F CB 0.209 39.105 39.000 -0.173 0.000 1.116 169 F HN -0.047 nan 8.300 nan 0.000 0.550 170 F N 2.036 121.920 119.950 -0.111 0.000 2.553 170 F HA 0.217 4.744 4.527 -0.000 0.000 0.356 170 F C 0.085 175.782 175.800 -0.173 0.000 1.142 170 F CA 0.020 57.784 58.000 -0.392 0.000 1.322 170 F CB 0.081 38.855 39.000 -0.378 0.000 1.126 170 F HN -0.224 nan 8.300 nan 0.000 0.599 171 I N 2.382 122.749 120.570 -0.337 0.000 2.378 171 I HA 0.130 4.299 4.170 -0.000 0.000 0.291 171 I C 0.039 175.856 176.117 -0.500 0.000 0.992 171 I CA -0.597 60.504 61.300 -0.332 0.000 1.154 171 I CB 1.310 39.106 38.000 -0.340 0.000 1.315 171 I HN 0.596 nan 8.210 nan 0.000 0.448 172 N N 5.058 123.238 118.700 -0.866 0.000 2.434 172 N HA 0.037 4.777 4.740 -0.000 0.000 0.268 172 N C 1.031 176.241 175.510 -0.501 0.000 1.256 172 N CA 0.988 53.405 53.050 -1.055 0.000 0.914 172 N CB 0.423 38.035 38.487 -1.458 0.000 1.088 172 N HN 1.013 nan 8.380 nan 0.000 0.478 173 G N 1.924 110.511 108.800 -0.355 0.000 2.176 173 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.253 173 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.253 173 G C 0.931 175.702 174.900 -0.216 0.000 0.979 173 G CA 0.563 45.527 45.100 -0.226 0.000 0.641 173 G HN 0.764 nan 8.290 nan 0.000 0.530 174 S N 0.130 115.627 115.700 -0.339 0.000 2.423 174 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 174 S C 1.446 175.857 174.600 -0.314 0.000 1.014 174 S CA 1.456 59.443 58.200 -0.355 0.000 0.965 174 S CB -0.254 62.468 63.200 -0.798 0.000 0.785 174 S HN 1.657 nan 8.310 nan 0.000 0.495 175 N N 0.214 118.704 118.700 -0.351 0.000 2.909 175 N HA -0.120 4.620 4.740 -0.000 0.000 0.242 175 N C -0.344 174.850 175.510 -0.526 0.000 0.975 175 N CA 1.512 54.366 53.050 -0.328 0.000 0.921 175 N CB -1.832 36.545 38.487 -0.183 0.000 1.112 175 N HN 0.894 nan 8.380 nan 0.000 0.581 176 W N -0.603 120.409 121.300 -0.480 0.000 2.639 176 W HA 0.688 5.349 4.660 0.000 0.000 0.347 176 W C 0.178 176.585 176.519 -0.187 0.000 1.067 176 W CA -0.624 56.476 57.345 -0.408 0.000 1.218 176 W CB 0.592 29.861 29.460 -0.319 0.000 1.393 176 W HN -0.051 nan 8.180 nan 0.000 0.557 177 E N 1.116 121.450 120.200 0.224 0.000 2.601 177 E HA 0.343 4.693 4.350 -0.000 0.000 0.219 177 E C 0.527 177.349 176.600 0.371 0.000 0.964 177 E CA 0.003 56.470 56.400 0.111 0.000 1.050 177 E CB 1.473 31.127 29.700 -0.077 0.000 1.068 177 E HN 0.645 nan 8.360 nan 0.000 0.496 178 G N 0.118 109.214 108.800 0.494 0.000 2.606 178 G HA2 0.590 4.550 3.960 -0.000 0.000 0.300 178 G HA3 0.590 4.550 3.960 -0.000 0.000 0.300 178 G C -1.826 173.167 174.900 0.155 0.000 1.360 178 G CA -0.700 44.597 45.100 0.328 0.000 0.783 178 G HN 0.053 nan 8.290 nan 0.000 0.484 179 I N -0.390 120.221 120.570 0.068 0.000 2.647 179 I HA 0.666 4.836 4.170 -0.000 0.000 0.295 179 I C -1.566 174.624 176.117 0.122 0.000 1.078 179 I CA -1.227 60.070 61.300 -0.005 0.000 1.048 179 I CB 2.156 40.230 38.000 0.124 0.000 1.239 179 I HN 0.445 nan 8.210 nan 0.000 0.421 180 L N 7.714 128.958 121.223 0.034 0.000 2.337 180 L HA 0.622 4.962 4.340 -0.000 0.000 0.269 180 L C -0.026 176.832 176.870 -0.019 0.000 1.018 180 L CA -0.079 54.775 54.840 0.023 0.000 0.876 180 L CB 0.970 42.906 42.059 -0.204 0.000 1.236 180 L HN 0.620 nan 8.230 nan 0.000 0.436 181 G N 5.001 113.852 108.800 0.085 0.000 2.372 181 G HA2 0.355 4.315 3.960 -0.000 0.000 0.286 181 G HA3 0.355 4.315 3.960 -0.000 0.000 0.286 181 G C 0.460 175.375 174.900 0.024 0.000 1.153 181 G CA -0.345 44.800 45.100 0.075 0.000 0.985 181 G HN 0.732 nan 8.290 nan 0.000 0.429 182 L N 1.973 123.164 121.223 -0.053 0.000 2.607 182 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 182 L C 1.892 178.761 176.870 -0.001 0.000 1.123 182 L CA -0.093 54.675 54.840 -0.120 0.000 0.890 182 L CB -0.041 41.734 42.059 -0.474 0.000 1.103 182 L HN 0.584 nan 8.230 nan 0.000 0.468 183 A N -0.949 121.852 122.820 -0.031 0.000 2.275 183 A HA 0.417 4.737 4.320 -0.000 0.000 0.282 183 A C -0.658 176.732 177.584 -0.324 0.000 1.275 183 A CA -0.221 51.629 52.037 -0.312 0.000 0.842 183 A CB 0.016 18.884 19.000 -0.219 0.000 1.280 183 A HN 0.084 nan 8.150 nan 0.000 0.508 184 Y N -1.475 118.722 120.300 -0.171 0.000 2.300 184 Y HA 0.393 4.943 4.550 -0.000 0.000 0.328 184 Y C 1.696 177.583 175.900 -0.021 0.000 1.270 184 Y CA 0.288 58.352 58.100 -0.060 0.000 1.352 184 Y CB 0.712 39.139 38.460 -0.056 0.000 1.286 184 Y HN 0.671 nan 8.280 nan 0.000 0.536 185 A N 0.825 123.762 122.820 0.194 0.000 1.986 185 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 185 A C 2.045 179.681 177.584 0.086 0.000 1.171 185 A CA 2.009 54.116 52.037 0.116 0.000 0.640 185 A CB -0.873 18.191 19.000 0.106 0.000 0.811 185 A HN 0.973 nan 8.150 nan 0.000 0.451 186 E N 0.239 120.499 120.200 0.100 0.000 2.147 186 E HA -0.223 4.126 4.350 -0.000 0.000 0.199 186 E C 1.533 178.169 176.600 0.059 0.000 1.005 186 E CA 1.784 58.230 56.400 0.077 0.000 0.810 186 E CB -0.339 29.422 29.700 0.101 0.000 0.736 186 E HN 0.841 nan 8.360 nan 0.000 0.460 187 I N -2.219 118.361 120.570 0.017 0.000 3.904 187 I HA 0.395 4.565 4.170 -0.000 0.000 0.333 187 I C 0.524 176.622 176.117 -0.033 0.000 1.361 187 I CA -0.500 60.766 61.300 -0.057 0.000 1.116 187 I CB 0.430 38.253 38.000 -0.295 0.000 1.028 187 I HN -0.043 nan 8.210 nan 0.000 0.398 188 A N 2.033 124.861 122.820 0.012 0.000 2.407 188 A HA 0.563 4.883 4.320 -0.000 0.000 0.248 188 A C 0.208 177.797 177.584 0.009 0.000 1.082 188 A CA -0.297 51.759 52.037 0.032 0.000 0.785 188 A CB 0.381 19.419 19.000 0.063 0.000 1.020 188 A HN 0.393 nan 8.150 nan 0.000 0.489 189 R N 2.098 122.597 120.500 -0.001 0.000 2.664 189 R HA 0.353 4.693 4.340 -0.000 0.000 0.286 189 R C -2.160 174.147 176.300 0.011 0.000 0.967 189 R CA -1.938 54.138 56.100 -0.040 0.000 0.933 189 R CB 1.197 31.405 30.300 -0.154 0.000 1.146 189 R HN 0.539 nan 8.270 nan 0.000 0.468 190 P HA -0.104 nan 4.420 nan 0.000 0.223 190 P C -0.529 176.770 177.300 -0.002 0.000 1.151 190 P CA 1.167 64.263 63.100 -0.007 0.000 0.787 190 P CB 0.347 32.054 31.700 0.012 0.000 0.788 191 D N -2.367 118.041 120.400 0.013 0.000 2.692 191 D HA 0.067 4.707 4.640 -0.000 0.000 0.303 191 D C -0.020 176.296 176.300 0.027 0.000 1.278 191 D CA -0.638 53.372 54.000 0.016 0.000 0.852 191 D CB -0.354 40.455 40.800 0.015 0.000 1.375 191 D HN -0.302 nan 8.370 nan 0.000 0.453 192 D N -0.682 119.735 120.400 0.028 0.000 2.392 192 D HA -0.132 4.508 4.640 -0.000 0.000 0.228 192 D C 1.339 177.662 176.300 0.039 0.000 1.003 192 D CA 1.086 55.108 54.000 0.037 0.000 0.917 192 D CB -0.438 40.382 40.800 0.034 0.000 0.890 192 D HN 0.300 nan 8.370 nan 0.000 0.532 193 S N -0.649 115.071 115.700 0.034 0.000 2.522 193 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 193 S C 0.884 175.510 174.600 0.042 0.000 0.986 193 S CA -0.530 57.690 58.200 0.033 0.000 0.929 193 S CB -0.484 62.732 63.200 0.026 0.000 0.769 193 S HN 0.218 nan 8.310 nan 0.000 0.529 194 L N 3.251 124.505 121.223 0.052 0.000 2.356 194 L HA 0.369 4.709 4.340 -0.000 0.000 0.282 194 L C 0.208 177.125 176.870 0.078 0.000 1.132 194 L CA -0.192 54.689 54.840 0.068 0.000 0.923 194 L CB -0.093 42.014 42.059 0.080 0.000 1.278 194 L HN 0.258 nan 8.230 nan 0.000 0.436 195 E N 5.990 126.231 120.200 0.068 0.000 2.694 195 E HA 0.000 4.350 4.350 -0.000 0.000 0.250 195 E C -2.091 174.565 176.600 0.092 0.000 0.963 195 E CA -1.196 55.244 56.400 0.066 0.000 0.949 195 E CB 0.505 30.227 29.700 0.037 0.000 0.911 195 E HN 0.418 nan 8.360 nan 0.000 0.500 196 P HA -0.040 nan 4.420 nan 0.000 0.272 196 P C 0.013 177.391 177.300 0.130 0.000 1.230 196 P CA -0.176 63.008 63.100 0.141 0.000 0.788 196 P CB 0.398 32.173 31.700 0.125 0.000 0.949 197 F N 1.704 121.673 119.950 0.032 0.000 2.065 197 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 197 F C 1.997 177.758 175.800 -0.064 0.000 1.112 197 F CA 1.597 59.559 58.000 -0.064 0.000 1.212 197 F CB -0.747 38.114 39.000 -0.231 0.000 0.975 197 F HN 0.202 nan 8.300 nan 0.000 0.476 198 F N 1.319 121.229 119.950 -0.066 0.000 2.216 198 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 198 F C 1.972 177.675 175.800 -0.161 0.000 1.085 198 F CA 2.034 59.950 58.000 -0.140 0.000 1.326 198 F CB -0.585 38.406 39.000 -0.015 0.000 1.027 198 F HN 0.016 nan 8.300 nan 0.000 0.497 199 D N -0.869 119.541 120.400 0.016 0.000 2.117 199 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 199 D C 2.432 178.637 176.300 -0.158 0.000 0.982 199 D CA 1.622 55.615 54.000 -0.012 0.000 0.828 199 D CB -0.422 40.410 40.800 0.053 0.000 0.967 199 D HN 0.145 nan 8.370 nan 0.000 0.464 200 S N 0.299 115.857 115.700 -0.238 0.000 2.368 200 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 200 S C 1.817 176.172 174.600 -0.408 0.000 1.030 200 S CA 0.391 58.422 58.200 -0.281 0.000 0.999 200 S CB -0.350 62.683 63.200 -0.277 0.000 0.844 200 S HN 0.181 nan 8.310 nan 0.000 0.459 201 L N 2.085 122.903 121.223 -0.675 0.000 1.989 201 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 201 L C 2.206 178.784 176.870 -0.486 0.000 1.071 201 L CA 1.731 56.151 54.840 -0.699 0.000 0.749 201 L CB -0.763 40.694 42.059 -1.005 0.000 0.890 201 L HN 0.142 nan 8.230 nan 0.000 0.431 202 V N -0.238 119.396 119.914 -0.466 0.000 2.358 202 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 202 V C 2.642 178.625 176.094 -0.184 0.000 1.047 202 V CA 2.071 64.206 62.300 -0.276 0.000 1.035 202 V CB -0.685 31.044 31.823 -0.157 0.000 0.658 202 V HN 0.551 nan 8.190 nan 0.000 0.452 203 K N -0.069 120.229 120.400 -0.170 0.000 2.057 203 K HA -0.206 4.113 4.320 -0.000 0.000 0.207 203 K C 2.093 178.600 176.600 -0.154 0.000 1.049 203 K CA 1.671 57.882 56.287 -0.127 0.000 0.931 203 K CB -0.078 32.362 32.500 -0.101 0.000 0.714 203 K HN 0.521 nan 8.250 nan 0.000 0.440 204 Q N -0.123 119.563 119.800 -0.190 0.000 2.424 204 Q HA 0.017 4.357 4.340 -0.000 0.000 0.204 204 Q C 0.345 176.209 176.000 -0.226 0.000 0.933 204 Q CA 0.819 56.511 55.803 -0.185 0.000 0.929 204 Q CB 0.927 29.564 28.738 -0.168 0.000 1.037 204 Q HN 0.406 nan 8.270 nan 0.000 0.511 205 T N -4.110 110.287 114.554 -0.261 0.000 2.831 205 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 205 T C -0.079 174.418 174.700 -0.337 0.000 1.070 205 T CA -0.777 61.154 62.100 -0.283 0.000 1.010 205 T CB 0.991 69.749 68.868 -0.182 0.000 1.264 205 T HN 0.064 nan 8.240 nan 0.000 0.532 206 H N -0.893 118.153 119.070 -0.039 0.000 2.517 206 H HA 0.449 5.004 4.556 -0.000 0.000 0.282 206 H C 0.277 175.600 175.328 -0.008 0.000 1.023 206 H CA -0.310 55.727 56.048 -0.017 0.000 1.169 206 H CB 0.063 29.825 29.762 -0.000 0.000 1.454 206 H HN 0.253 nan 8.280 nan 0.000 0.556 207 V N 3.398 123.327 119.914 0.024 0.000 2.493 207 V HA -0.009 4.110 4.120 -0.000 0.000 0.292 207 V C -1.769 174.350 176.094 0.042 0.000 1.016 207 V CA -1.300 61.012 62.300 0.020 0.000 1.097 207 V CB 0.383 32.166 31.823 -0.066 0.000 0.947 207 V HN 0.214 nan 8.190 nan 0.000 0.479 208 P HA 0.027 nan 4.420 nan 0.000 0.267 208 P C -0.015 177.392 177.300 0.179 0.000 1.200 208 P CA -0.195 62.978 63.100 0.123 0.000 0.772 208 P CB 0.290 32.067 31.700 0.128 0.000 0.855 209 N N 2.779 121.594 118.700 0.191 0.000 3.103 209 N HA 0.194 4.934 4.740 -0.000 0.000 0.305 209 N C -0.957 174.733 175.510 0.301 0.000 1.232 209 N CA 0.299 53.538 53.050 0.315 0.000 1.190 209 N CB -1.191 37.436 38.487 0.233 0.000 1.461 209 N HN 0.336 nan 8.380 nan 0.000 0.538 210 L N 1.629 123.061 121.223 0.349 0.000 2.672 210 L HA 0.575 4.915 4.340 -0.000 0.000 0.256 210 L C -1.813 175.136 176.870 0.131 0.000 0.946 210 L CA -0.907 53.985 54.840 0.087 0.000 0.889 210 L CB 0.996 43.068 42.059 0.021 0.000 1.441 210 L HN 0.143 nan 8.230 nan 0.000 0.418 211 F N 1.176 121.040 119.950 -0.145 0.000 2.626 211 F HA 0.926 5.453 4.527 -0.000 0.000 0.311 211 F C -1.009 174.707 175.800 -0.140 0.000 1.088 211 F CA -0.482 57.423 58.000 -0.158 0.000 0.949 211 F CB 1.780 40.610 39.000 -0.283 0.000 1.322 211 F HN 0.470 nan 8.300 nan 0.000 0.461 212 S N 1.660 117.373 115.700 0.023 0.000 2.549 212 S HA 0.850 5.320 4.470 -0.000 0.000 0.280 212 S C -1.585 173.065 174.600 0.084 0.000 1.109 212 S CA -0.838 57.281 58.200 -0.136 0.000 0.905 212 S CB 1.853 64.792 63.200 -0.434 0.000 1.081 212 S HN 0.860 nan 8.310 nan 0.000 0.477 213 L N 1.865 123.123 121.223 0.057 0.000 2.362 213 L HA 0.576 4.916 4.340 -0.000 0.000 0.275 213 L C -0.396 176.582 176.870 0.179 0.000 0.998 213 L CA -0.440 54.478 54.840 0.131 0.000 0.820 213 L CB 2.074 44.212 42.059 0.131 0.000 1.270 213 L HN 0.770 nan 8.230 nan 0.000 0.415 214 Q N 4.762 124.668 119.800 0.176 0.000 2.413 214 Q HA 0.473 4.812 4.340 -0.000 0.000 0.258 214 Q C -1.624 174.325 176.000 -0.085 0.000 1.037 214 Q CA -0.543 55.340 55.803 0.132 0.000 0.764 214 Q CB 1.227 30.017 28.738 0.087 0.000 1.217 214 Q HN 0.618 nan 8.270 nan 0.000 0.490 215 L N 3.311 124.422 121.223 -0.187 0.000 2.264 215 L HA 0.462 4.802 4.340 -0.000 0.000 0.289 215 L C -0.577 176.099 176.870 -0.325 0.000 1.044 215 L CA -0.824 53.697 54.840 -0.530 0.000 0.807 215 L CB 1.237 42.859 42.059 -0.728 0.000 1.192 215 L HN 0.640 nan 8.230 nan 0.000 0.425 216 c N 3.261 121.706 118.600 -0.259 0.000 2.225 216 c HA 0.462 5.032 4.570 -0.000 0.000 0.323 216 c C 1.111 175.228 174.090 0.045 0.000 1.164 216 c CA -0.967 55.323 56.329 -0.065 0.000 1.565 216 c CB -0.001 42.483 42.510 -0.044 0.000 2.124 216 c HN 0.925 nan 8.230 nan 0.000 0.461 217 G N 1.936 110.754 108.800 0.029 0.000 2.403 217 G HA2 0.436 4.396 3.960 -0.000 0.000 0.259 217 G HA3 0.436 4.396 3.960 -0.000 0.000 0.259 217 G C 0.847 175.679 174.900 -0.114 0.000 1.244 217 G CA 0.276 45.390 45.100 0.024 0.000 0.849 217 G HN 0.963 nan 8.290 nan 0.000 0.532 218 A N 1.548 124.219 122.820 -0.248 0.000 2.014 218 A HA 0.373 4.693 4.320 -0.000 0.000 0.218 218 A C 2.233 179.422 177.584 -0.658 0.000 1.163 218 A CA 1.743 53.431 52.037 -0.581 0.000 0.652 218 A CB -0.495 17.936 19.000 -0.948 0.000 0.808 218 A HN 2.303 nan 8.150 nan 0.000 0.449 219 G N -2.530 106.061 108.800 -0.348 0.000 2.175 219 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 219 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 219 G C 0.114 175.103 174.900 0.149 0.000 0.982 219 G CA 0.451 45.514 45.100 -0.060 0.000 0.641 219 G HN 1.482 nan 8.290 nan 0.000 0.527 220 F N -1.992 118.006 119.950 0.080 0.000 2.686 220 F HA 0.798 5.325 4.527 -0.000 0.000 0.311 220 F C -2.882 172.926 175.800 0.014 0.000 1.128 220 F CA -2.951 55.078 58.000 0.049 0.000 0.946 220 F CB 0.317 39.340 39.000 0.039 0.000 1.336 220 F HN -0.038 nan 8.300 nan 0.000 0.457 221 P HA 0.421 nan 4.420 nan 0.000 0.275 221 P C -1.146 176.237 177.300 0.138 0.000 1.228 221 P CA -0.196 62.953 63.100 0.082 0.000 0.786 221 P CB 0.994 32.719 31.700 0.042 0.000 0.927 222 L N 2.824 124.075 121.223 0.047 0.000 2.313 222 L HA 0.400 4.740 4.340 -0.000 0.000 0.283 222 L C 0.903 177.793 176.870 0.033 0.000 1.013 222 L CA -0.937 53.938 54.840 0.059 0.000 0.816 222 L CB 1.208 43.270 42.059 0.005 0.000 1.236 222 L HN 0.414 nan 8.230 nan 0.000 0.419 223 N N 1.552 120.276 118.700 0.039 0.000 2.322 223 N HA 0.010 4.749 4.740 -0.000 0.000 0.270 223 N C 0.624 176.137 175.510 0.005 0.000 1.286 223 N CA -0.448 52.611 53.050 0.014 0.000 0.948 223 N CB 0.381 38.875 38.487 0.012 0.000 1.164 223 N HN 0.497 nan 8.380 nan 0.000 0.551 224 Q N -0.318 119.477 119.800 -0.008 0.000 2.061 224 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 224 Q C 1.781 177.781 176.000 0.000 0.000 0.984 224 Q CA 2.675 58.470 55.803 -0.012 0.000 0.846 224 Q CB -0.763 27.958 28.738 -0.028 0.000 0.902 224 Q HN 0.796 nan 8.270 nan 0.000 0.421 225 S N -0.414 115.287 115.700 0.002 0.000 2.368 225 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 225 S C 1.789 176.401 174.600 0.020 0.000 1.029 225 S CA 1.182 59.386 58.200 0.008 0.000 0.988 225 S CB -0.486 62.716 63.200 0.004 0.000 0.838 225 S HN 0.483 nan 8.310 nan 0.000 0.462 226 E N 0.759 120.974 120.200 0.026 0.000 2.051 226 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 226 E C 2.182 178.803 176.600 0.035 0.000 0.991 226 E CA 1.218 57.642 56.400 0.040 0.000 0.799 226 E CB -0.442 29.295 29.700 0.063 0.000 0.748 226 E HN 0.356 nan 8.360 nan 0.000 0.449 227 V N 1.294 121.224 119.914 0.026 0.000 2.594 227 V HA -0.203 3.917 4.120 -0.000 0.000 0.253 227 V C 1.956 178.079 176.094 0.048 0.000 1.069 227 V CA 1.367 63.680 62.300 0.022 0.000 1.082 227 V CB -0.182 31.646 31.823 0.009 0.000 0.680 227 V HN 0.232 nan 8.190 nan 0.000 0.469 228 L N -0.356 120.900 121.223 0.056 0.000 2.240 228 L HA 0.055 4.394 4.340 -0.000 0.000 0.211 228 L C 2.498 179.403 176.870 0.058 0.000 1.106 228 L CA 1.269 56.158 54.840 0.081 0.000 0.793 228 L CB -0.583 41.513 42.059 0.063 0.000 0.927 228 L HN 0.371 nan 8.230 nan 0.000 0.446 229 A N -1.447 121.395 122.820 0.037 0.000 2.095 229 A HA 0.050 4.370 4.320 -0.000 0.000 0.212 229 A C 1.418 179.013 177.584 0.018 0.000 1.162 229 A CA 0.105 52.158 52.037 0.026 0.000 0.753 229 A CB -0.018 18.996 19.000 0.024 0.000 0.840 229 A HN 0.225 nan 8.150 nan 0.000 0.468 230 S N 0.032 115.743 115.700 0.017 0.000 2.565 230 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 230 S C -0.086 174.507 174.600 -0.011 0.000 1.326 230 S CA -0.364 57.842 58.200 0.009 0.000 1.045 230 S CB 0.632 63.837 63.200 0.010 0.000 0.918 230 S HN 0.203 nan 8.310 nan 0.000 0.505 231 V N 5.049 124.955 119.914 -0.013 0.000 2.455 231 V HA 0.330 4.450 4.120 -0.000 0.000 0.273 231 V C 1.414 177.505 176.094 -0.007 0.000 1.045 231 V CA 0.390 62.675 62.300 -0.026 0.000 0.976 231 V CB 0.875 32.682 31.823 -0.028 0.000 0.993 231 V HN 1.100 nan 8.190 nan 0.000 0.475 232 G N 2.920 111.724 108.800 0.007 0.000 3.088 232 G HA2 0.555 4.515 3.960 -0.000 0.000 0.217 232 G HA3 0.555 4.515 3.960 -0.000 0.000 0.217 232 G C 0.560 175.503 174.900 0.070 0.000 1.159 232 G CA 0.591 45.769 45.100 0.130 0.000 0.760 232 G HN 1.268 nan 8.290 nan 0.000 0.550 233 G N -1.025 107.763 108.800 -0.020 0.000 2.320 233 G HA2 0.360 4.320 3.960 -0.000 0.000 0.274 233 G HA3 0.360 4.320 3.960 -0.000 0.000 0.274 233 G C -1.208 173.661 174.900 -0.052 0.000 1.324 233 G CA -0.126 44.931 45.100 -0.071 0.000 0.957 233 G HN 0.678 nan 8.290 nan 0.000 0.481 234 S N -0.389 115.288 115.700 -0.039 0.000 2.541 234 S HA 0.715 5.185 4.470 -0.000 0.000 0.280 234 S C -0.468 174.150 174.600 0.031 0.000 1.112 234 S CA -0.420 57.781 58.200 0.002 0.000 0.925 234 S CB 1.736 64.947 63.200 0.018 0.000 1.067 234 S HN 0.932 nan 8.310 nan 0.000 0.479 235 M N 4.468 124.086 119.600 0.030 0.000 2.085 235 M HA 0.496 4.976 4.480 -0.000 0.000 0.309 235 M C -1.783 174.550 176.300 0.054 0.000 0.947 235 M CA -0.683 54.642 55.300 0.042 0.000 0.918 235 M CB 0.272 32.861 32.600 -0.018 0.000 1.504 235 M HN 0.454 nan 8.290 nan 0.000 0.420 236 I N 6.816 127.426 120.570 0.065 0.000 2.297 236 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 236 I C -0.314 175.790 176.117 -0.023 0.000 1.033 236 I CA -0.404 60.874 61.300 -0.038 0.000 1.253 236 I CB 0.359 38.283 38.000 -0.127 0.000 1.396 236 I HN 0.731 nan 8.210 nan 0.000 0.476 237 I N 5.362 125.938 120.570 0.011 0.000 2.312 237 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 237 I C 1.171 177.329 176.117 0.069 0.000 1.031 237 I CA 0.252 61.641 61.300 0.148 0.000 1.293 237 I CB 1.032 39.138 38.000 0.177 0.000 1.403 237 I HN 0.866 nan 8.210 nan 0.000 0.484 238 G N 3.777 112.667 108.800 0.151 0.000 2.141 238 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.242 238 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.242 238 G C 0.196 175.070 174.900 -0.044 0.000 0.982 238 G CA -0.206 44.957 45.100 0.105 0.000 0.662 238 G HN 1.160 nan 8.290 nan 0.000 0.527 239 G N -1.314 107.322 108.800 -0.274 0.000 2.548 239 G HA2 0.644 4.604 3.960 -0.000 0.000 0.301 239 G HA3 0.644 4.604 3.960 -0.000 0.000 0.301 239 G C -1.500 173.187 174.900 -0.355 0.000 1.349 239 G CA -0.553 44.302 45.100 -0.408 0.000 0.792 239 G HN 0.752 nan 8.290 nan 0.000 0.481 240 I N 1.058 121.547 120.570 -0.136 0.000 2.447 240 I HA 0.304 4.474 4.170 -0.000 0.000 0.287 240 I C -1.273 174.901 176.117 0.096 0.000 1.023 240 I CA -0.634 60.672 61.300 0.010 0.000 1.083 240 I CB 2.229 40.218 38.000 -0.019 0.000 1.245 240 I HN 0.342 nan 8.210 nan 0.000 0.434 241 D N 5.742 126.250 120.400 0.180 0.000 2.373 241 D HA 0.162 4.802 4.640 -0.000 0.000 0.227 241 D C 0.996 177.286 176.300 -0.017 0.000 1.091 241 D CA -0.248 53.847 54.000 0.158 0.000 0.840 241 D CB 0.846 41.761 40.800 0.190 0.000 1.060 241 D HN 0.522 nan 8.370 nan 0.000 0.502 242 H N 1.797 120.975 119.070 0.180 0.000 2.518 242 H HA -0.110 4.446 4.556 -0.000 0.000 0.289 242 H C 1.873 177.022 175.328 -0.299 0.000 1.051 242 H CA 1.163 57.187 56.048 -0.040 0.000 1.280 242 H CB 0.183 29.921 29.762 -0.040 0.000 1.380 242 H HN 0.409 nan 8.280 nan 0.000 0.566 243 S N 0.608 116.252 115.700 -0.093 0.000 2.515 243 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 243 S C 1.922 176.409 174.600 -0.187 0.000 0.987 243 S CA 0.185 58.307 58.200 -0.131 0.000 0.936 243 S CB -0.473 62.688 63.200 -0.064 0.000 0.766 243 S HN 0.303 nan 8.310 nan 0.000 0.528 244 L N 0.348 121.407 121.223 -0.274 0.000 2.554 244 L HA 0.288 4.628 4.340 -0.000 0.000 0.226 244 L C 0.531 177.263 176.870 -0.230 0.000 1.137 244 L CA -0.114 54.502 54.840 -0.374 0.000 0.863 244 L CB -0.500 41.090 42.059 -0.781 0.000 0.985 244 L HN 0.589 nan 8.230 nan 0.000 0.451 245 Y N -2.260 117.907 120.300 -0.222 0.000 2.644 245 Y HA 0.692 5.242 4.550 -0.000 0.000 0.338 245 Y C -0.329 175.585 175.900 0.024 0.000 1.119 245 Y CA -1.478 56.599 58.100 -0.038 0.000 1.060 245 Y CB 1.018 39.534 38.460 0.093 0.000 1.294 245 Y HN -0.108 nan 8.280 nan 0.000 0.472 246 T N -0.929 113.732 114.554 0.180 0.000 2.924 246 T HA 0.779 5.129 4.350 -0.000 0.000 0.291 246 T C 0.355 175.192 174.700 0.229 0.000 1.045 246 T CA -0.233 61.915 62.100 0.079 0.000 1.015 246 T CB 1.075 69.981 68.868 0.063 0.000 1.103 246 T HN 2.273 nan 8.240 nan 0.000 0.496 247 G N 1.620 110.514 108.800 0.156 0.000 2.598 247 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.244 247 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.244 247 G C -0.207 174.867 174.900 0.290 0.000 1.302 247 G CA -0.246 44.971 45.100 0.195 0.000 0.903 247 G HN 1.246 nan 8.290 nan 0.000 0.575 248 S N -0.670 115.173 115.700 0.239 0.000 2.608 248 S HA 0.679 5.149 4.470 -0.000 0.000 0.291 248 S C 0.347 174.972 174.600 0.042 0.000 1.146 248 S CA -0.564 57.719 58.200 0.139 0.000 1.043 248 S CB 1.505 64.693 63.200 -0.020 0.000 1.037 248 S HN 0.645 nan 8.310 nan 0.000 0.520 249 L N 1.959 123.075 121.223 -0.179 0.000 2.290 249 L HA 0.373 4.713 4.340 -0.000 0.000 0.284 249 L C -1.155 175.370 176.870 -0.574 0.000 1.078 249 L CA -0.194 54.397 54.840 -0.415 0.000 0.815 249 L CB 0.540 42.278 42.059 -0.536 0.000 1.162 249 L HN 0.641 nan 8.230 nan 0.000 0.435 250 W N 2.824 123.731 121.300 -0.656 0.000 2.587 250 W HA 0.446 5.105 4.660 -0.000 0.000 0.324 250 W C -0.747 175.174 176.519 -0.997 0.000 1.040 250 W CA -0.242 56.570 57.345 -0.889 0.000 1.222 250 W CB 1.161 29.771 29.460 -1.416 0.000 1.381 250 W HN 0.211 nan 8.180 nan 0.000 0.483 251 Y N 1.557 121.674 120.300 -0.305 0.000 2.360 251 Y HA 0.496 5.046 4.550 -0.000 0.000 0.337 251 Y C 0.580 176.629 175.900 0.248 0.000 1.039 251 Y CA -0.717 57.354 58.100 -0.049 0.000 1.109 251 Y CB 2.111 40.528 38.460 -0.072 0.000 1.201 251 Y HN 0.136 nan 8.280 nan 0.000 0.458 252 T N 5.169 120.037 114.554 0.523 0.000 2.823 252 T HA 0.487 4.837 4.350 -0.000 0.000 0.279 252 T C -2.802 172.080 174.700 0.304 0.000 0.998 252 T CA -2.591 59.799 62.100 0.483 0.000 0.994 252 T CB 0.918 70.049 68.868 0.439 0.000 0.960 252 T HN 0.249 nan 8.240 nan 0.000 0.448 253 P HA 0.271 nan 4.420 nan 0.000 0.271 253 P C -0.494 176.916 177.300 0.183 0.000 1.218 253 P CA -0.217 62.989 63.100 0.176 0.000 0.780 253 P CB 0.304 32.089 31.700 0.141 0.000 0.901 254 I N 3.291 123.968 120.570 0.178 0.000 2.363 254 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 254 I C 2.038 178.256 176.117 0.169 0.000 1.075 254 I CA -0.006 61.422 61.300 0.214 0.000 1.333 254 I CB 0.383 38.541 38.000 0.263 0.000 1.415 254 I HN 0.427 nan 8.210 nan 0.000 0.502 255 R N 5.489 126.102 120.500 0.189 0.000 2.091 255 R HA -0.031 4.309 4.340 -0.000 0.000 0.238 255 R C 0.745 177.121 176.300 0.126 0.000 1.136 255 R CA 1.425 57.621 56.100 0.159 0.000 0.959 255 R CB 0.263 30.678 30.300 0.191 0.000 0.856 255 R HN 0.600 nan 8.270 nan 0.000 0.437 256 R N -0.264 120.343 120.500 0.177 0.000 2.629 256 R HA 0.110 4.450 4.340 -0.000 0.000 0.266 256 R C -1.663 174.725 176.300 0.147 0.000 1.051 256 R CA -0.488 55.669 56.100 0.096 0.000 0.895 256 R CB 1.593 31.898 30.300 0.007 0.000 1.246 256 R HN 0.026 nan 8.270 nan 0.000 0.459 257 E N 4.626 124.741 120.200 -0.143 0.000 1.861 257 E HA 0.113 4.463 4.350 -0.000 0.000 0.263 257 E C -0.224 176.275 176.600 -0.169 0.000 1.137 257 E CA -0.048 55.982 56.400 -0.615 0.000 0.944 257 E CB 0.325 29.275 29.700 -1.249 0.000 1.092 257 E HN 0.502 nan 8.360 nan 0.000 0.420 258 W N 2.038 123.252 121.300 -0.143 0.000 4.754 258 W HA 0.177 4.837 4.660 -0.000 0.000 0.168 258 W C -0.467 175.983 176.519 -0.116 0.000 3.340 258 W CA -0.199 57.093 57.345 -0.088 0.000 1.592 258 W CB -0.357 29.040 29.460 -0.105 0.000 1.796 258 W HN 0.100 nan 8.180 nan 0.000 0.674 259 Y N 0.677 120.713 120.300 -0.440 0.000 2.344 259 Y HA 0.352 4.902 4.550 -0.000 0.000 0.330 259 Y C -0.168 175.630 175.900 -0.169 0.000 1.330 259 Y CA -0.478 57.396 58.100 -0.377 0.000 1.479 259 Y CB 0.045 38.140 38.460 -0.607 0.000 1.428 259 Y HN -0.174 nan 8.280 nan 0.000 0.544 260 Y N 0.965 121.451 120.300 0.310 0.000 2.632 260 Y HA 0.122 4.671 4.550 -0.000 0.000 0.336 260 Y C 0.362 176.408 175.900 0.243 0.000 1.237 260 Y CA -0.320 57.984 58.100 0.339 0.000 1.595 260 Y CB -0.184 38.506 38.460 0.383 0.000 1.508 260 Y HN 0.402 nan 8.280 nan 0.000 0.480 261 E N 3.048 123.440 120.200 0.319 0.000 2.259 261 E HA 0.472 4.822 4.350 -0.000 0.000 0.281 261 E C -0.801 175.954 176.600 0.259 0.000 1.027 261 E CA -0.584 55.980 56.400 0.272 0.000 0.838 261 E CB 0.902 30.840 29.700 0.398 0.000 1.066 261 E HN 0.430 nan 8.360 nan 0.000 0.401 262 V N 1.584 121.620 119.914 0.203 0.000 3.155 262 V HA 0.645 4.765 4.120 -0.000 0.000 0.313 262 V C -0.489 175.685 176.094 0.134 0.000 1.162 262 V CA -0.992 61.410 62.300 0.169 0.000 1.048 262 V CB 1.683 33.600 31.823 0.157 0.000 1.092 262 V HN 0.635 nan 8.190 nan 0.000 0.447 263 I N 1.685 122.315 120.570 0.101 0.000 2.418 263 I HA 0.480 4.650 4.170 -0.000 0.000 0.287 263 I C -0.747 175.389 176.117 0.031 0.000 1.008 263 I CA -0.418 60.935 61.300 0.088 0.000 1.104 263 I CB 1.832 39.893 38.000 0.101 0.000 1.264 263 I HN 0.514 nan 8.210 nan 0.000 0.438 264 I N 6.708 127.302 120.570 0.039 0.000 2.365 264 I HA 0.111 4.281 4.170 -0.000 0.000 0.291 264 I C 1.139 177.302 176.117 0.076 0.000 1.004 264 I CA -0.191 61.101 61.300 -0.013 0.000 1.311 264 I CB 1.599 39.572 38.000 -0.046 0.000 1.401 264 I HN 0.495 nan 8.210 nan 0.000 0.491 265 V N 2.865 122.795 119.914 0.026 0.000 3.645 265 V HA 0.404 4.524 4.120 -0.000 0.000 0.275 265 V C 0.515 176.641 176.094 0.053 0.000 1.356 265 V CA 0.077 62.416 62.300 0.066 0.000 1.051 265 V CB -0.037 31.798 31.823 0.021 0.000 0.828 265 V HN 0.863 nan 8.190 nan 0.000 0.441 266 R N -0.422 120.041 120.500 -0.062 0.000 2.634 266 R HA 0.673 5.013 4.340 -0.000 0.000 0.263 266 R C -2.465 173.641 176.300 -0.322 0.000 1.060 266 R CA -0.375 55.608 56.100 -0.195 0.000 0.898 266 R CB 2.624 32.585 30.300 -0.564 0.000 1.253 266 R HN 0.055 nan 8.270 nan 0.000 0.461 267 V N 2.758 122.430 119.914 -0.403 0.000 2.638 267 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 267 V C -0.759 175.241 176.094 -0.156 0.000 1.052 267 V CA -0.714 61.369 62.300 -0.362 0.000 0.885 267 V CB 1.973 33.397 31.823 -0.665 0.000 0.999 267 V HN 0.789 nan 8.190 nan 0.000 0.424 268 E N 4.318 124.480 120.200 -0.063 0.000 2.256 268 E HA 0.618 4.968 4.350 -0.000 0.000 0.267 268 E C -1.432 175.163 176.600 -0.008 0.000 0.892 268 E CA -0.861 55.526 56.400 -0.022 0.000 0.775 268 E CB 2.667 32.386 29.700 0.030 0.000 1.207 268 E HN 0.384 nan 8.360 nan 0.000 0.420 269 I N 3.009 123.583 120.570 0.006 0.000 2.411 269 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 269 I C -0.218 175.930 176.117 0.053 0.000 1.012 269 I CA -0.705 60.616 61.300 0.034 0.000 1.119 269 I CB 0.648 38.662 38.000 0.024 0.000 1.261 269 I HN 0.587 nan 8.210 nan 0.000 0.448 270 N N 5.091 123.838 118.700 0.079 0.000 2.725 270 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 270 N C 1.251 176.791 175.510 0.050 0.000 1.031 270 N CA 1.342 54.438 53.050 0.077 0.000 0.720 270 N CB -0.772 37.764 38.487 0.083 0.000 0.930 270 N HN 1.117 nan 8.380 nan 0.000 0.543 271 G N -0.986 107.839 108.800 0.042 0.000 2.220 271 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.269 271 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.269 271 G C -0.005 174.900 174.900 0.009 0.000 0.977 271 G CA 0.791 45.908 45.100 0.029 0.000 0.634 271 G HN 0.709 nan 8.290 nan 0.000 0.539 272 Q N 1.001 120.806 119.800 0.008 0.000 2.294 272 Q HA 0.419 4.759 4.340 -0.000 0.000 0.257 272 Q C -0.359 175.629 176.000 -0.020 0.000 0.955 272 Q CA -0.601 55.199 55.803 -0.006 0.000 0.936 272 Q CB 0.536 29.273 28.738 -0.001 0.000 1.188 272 Q HN 0.239 nan 8.270 nan 0.000 0.420 273 D N 3.808 124.186 120.400 -0.037 0.000 2.434 273 D HA -0.093 4.547 4.640 -0.000 0.000 0.252 273 D C 0.692 176.983 176.300 -0.015 0.000 1.185 273 D CA 0.016 53.986 54.000 -0.049 0.000 0.886 273 D CB 0.868 41.627 40.800 -0.068 0.000 1.148 273 D HN 0.625 nan 8.370 nan 0.000 0.483 274 L N 4.371 125.598 121.223 0.007 0.000 2.265 274 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 274 L C 1.508 178.416 176.870 0.064 0.000 1.117 274 L CA 1.260 56.128 54.840 0.047 0.000 0.782 274 L CB -0.679 41.432 42.059 0.086 0.000 0.914 274 L HN 0.770 nan 8.230 nan 0.000 0.441 275 K N -0.632 119.805 120.400 0.062 0.000 3.117 275 K HA -0.227 4.093 4.320 -0.000 0.000 0.269 275 K C -0.129 176.469 176.600 -0.003 0.000 1.098 275 K CA 0.519 56.818 56.287 0.020 0.000 0.785 275 K CB -1.052 31.443 32.500 -0.008 0.000 1.242 275 K HN 0.368 nan 8.250 nan 0.000 0.491 276 M N 0.366 119.968 119.600 0.004 0.000 2.444 276 M HA 0.155 4.634 4.480 -0.000 0.000 0.319 276 M C 0.325 176.461 176.300 -0.272 0.000 1.183 276 M CA -0.719 54.486 55.300 -0.159 0.000 1.032 276 M CB 0.771 33.221 32.600 -0.250 0.000 1.569 276 M HN 0.039 nan 8.290 nan 0.000 0.468 277 D N 1.118 121.362 120.400 -0.260 0.000 2.450 277 D HA -0.016 4.624 4.640 -0.000 0.000 0.247 277 D C 1.087 177.143 176.300 -0.406 0.000 1.162 277 D CA -0.191 53.669 54.000 -0.232 0.000 0.879 277 D CB 1.004 41.705 40.800 -0.165 0.000 1.163 277 D HN 0.836 nan 8.370 nan 0.000 0.472 278 c N 3.792 122.219 118.600 -0.288 0.000 2.409 278 c HA -0.041 4.529 4.570 -0.000 0.000 0.284 278 c C 2.233 176.221 174.090 -0.171 0.000 1.354 278 c CA 0.140 56.315 56.329 -0.257 0.000 1.787 278 c CB -0.768 41.766 42.510 0.039 0.000 1.900 278 c HN 0.695 nan 8.230 nan 0.000 0.520 279 K N 0.779 121.110 120.400 -0.115 0.000 2.209 279 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 279 K C 2.162 178.748 176.600 -0.022 0.000 1.048 279 K CA 1.355 57.642 56.287 0.000 0.000 0.940 279 K CB -0.110 32.413 32.500 0.040 0.000 0.729 279 K HN 0.544 nan 8.250 nan 0.000 0.451 280 E N -0.218 119.867 120.200 -0.191 0.000 2.153 280 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 280 E C 1.760 178.360 176.600 0.001 0.000 0.988 280 E CA 1.236 57.550 56.400 -0.144 0.000 0.811 280 E CB -0.226 29.324 29.700 -0.250 0.000 0.746 280 E HN 0.564 nan 8.360 nan 0.000 0.466 281 Y N 0.786 121.116 120.300 0.050 0.000 2.421 281 Y HA -0.031 4.518 4.550 -0.000 0.000 0.292 281 Y C 1.425 177.351 175.900 0.044 0.000 1.136 281 Y CA 0.310 58.432 58.100 0.036 0.000 1.255 281 Y CB 0.170 38.636 38.460 0.010 0.000 0.991 281 Y HN 0.009 nan 8.280 nan 0.000 0.552 282 N N -0.869 117.954 118.700 0.205 0.000 2.338 282 N HA -0.005 4.735 4.740 -0.000 0.000 0.251 282 N C -1.185 174.402 175.510 0.130 0.000 1.199 282 N CA -0.061 53.085 53.050 0.160 0.000 0.879 282 N CB 0.272 38.868 38.487 0.183 0.000 1.159 282 N HN 0.210 nan 8.380 nan 0.000 0.514 283 Y N 2.792 123.050 120.300 -0.071 0.000 2.404 283 Y HA 0.175 4.724 4.550 -0.000 0.000 0.344 283 Y C 0.614 176.379 175.900 -0.224 0.000 0.970 283 Y CA -1.187 56.739 58.100 -0.291 0.000 1.180 283 Y CB 0.597 38.868 38.460 -0.316 0.000 1.138 283 Y HN -0.011 nan 8.280 nan 0.000 0.510 284 D N 3.517 123.451 120.400 -0.777 0.000 2.339 284 D HA 0.085 4.725 4.640 -0.000 0.000 0.217 284 D C -0.446 175.871 176.300 0.028 0.000 1.050 284 D CA 0.256 53.940 54.000 -0.528 0.000 0.856 284 D CB 0.072 40.629 40.800 -0.404 0.000 0.922 284 D HN 0.618 nan 8.370 nan 0.000 0.518 285 K N -2.492 117.905 120.400 -0.005 0.000 2.658 285 K HA 0.561 4.881 4.320 -0.000 0.000 0.293 285 K C -1.610 175.002 176.600 0.019 0.000 1.026 285 K CA -0.884 55.463 56.287 0.101 0.000 0.871 285 K CB 0.951 33.523 32.500 0.121 0.000 1.524 285 K HN -0.190 nan 8.250 nan 0.000 0.400 286 S N 0.932 116.664 115.700 0.053 0.000 2.594 286 S HA 0.626 5.096 4.470 -0.000 0.000 0.296 286 S C -0.607 174.011 174.600 0.029 0.000 1.124 286 S CA -0.840 57.376 58.200 0.028 0.000 1.011 286 S CB 0.508 63.744 63.200 0.060 0.000 1.016 286 S HN 0.569 nan 8.310 nan 0.000 0.485 287 I N -0.324 120.239 120.570 -0.012 0.000 3.002 287 I HA 0.823 4.992 4.170 -0.000 0.000 0.310 287 I C -1.242 174.937 176.117 0.103 0.000 1.087 287 I CA -1.234 60.086 61.300 0.033 0.000 1.017 287 I CB 1.859 39.783 38.000 -0.126 0.000 1.226 287 I HN 0.253 nan 8.210 nan 0.000 0.443 288 V N 2.710 122.752 119.914 0.214 0.000 2.347 288 V HA 0.416 4.536 4.120 -0.000 0.000 0.280 288 V C -0.971 175.284 176.094 0.268 0.000 1.021 288 V CA 0.019 62.466 62.300 0.245 0.000 0.847 288 V CB 0.954 32.937 31.823 0.266 0.000 0.990 288 V HN 0.749 nan 8.190 nan 0.000 0.444 289 D N 2.908 123.415 120.400 0.179 0.000 2.358 289 D HA 0.211 4.851 4.640 -0.000 0.000 0.253 289 D C 1.059 177.418 176.300 0.098 0.000 1.288 289 D CA -0.107 53.972 54.000 0.131 0.000 0.950 289 D CB 1.873 42.717 40.800 0.072 0.000 1.197 289 D HN 0.482 nan 8.370 nan 0.000 0.550 290 S N 1.229 116.976 115.700 0.080 0.000 2.507 290 S HA 0.009 4.479 4.470 -0.000 0.000 0.235 290 S C 1.719 176.338 174.600 0.031 0.000 0.988 290 S CA 0.555 58.789 58.200 0.057 0.000 0.944 290 S CB 0.090 63.297 63.200 0.011 0.000 0.762 290 S HN 0.385 nan 8.310 nan 0.000 0.526 291 G N 0.331 109.131 108.800 -0.000 0.000 3.233 291 G HA2 0.364 4.323 3.960 -0.000 0.000 0.227 291 G HA3 0.364 4.323 3.960 -0.000 0.000 0.227 291 G C -0.083 174.795 174.900 -0.037 0.000 1.175 291 G CA -0.126 44.943 45.100 -0.052 0.000 0.781 291 G HN 0.462 nan 8.290 nan 0.000 0.542 292 T N -0.507 114.050 114.554 0.006 0.000 2.881 292 T HA 0.344 4.694 4.350 -0.000 0.000 0.290 292 T C 1.148 175.867 174.700 0.033 0.000 1.000 292 T CA -0.416 61.688 62.100 0.007 0.000 0.978 292 T CB 2.068 70.936 68.868 0.000 0.000 0.997 292 T HN -0.046 nan 8.240 nan 0.000 0.443 293 T N 2.861 117.432 114.554 0.029 0.000 2.668 293 T HA -0.026 4.323 4.350 -0.000 0.000 0.262 293 T C 1.103 175.827 174.700 0.041 0.000 1.045 293 T CA 1.061 63.188 62.100 0.045 0.000 1.152 293 T CB -0.143 68.744 68.868 0.032 0.000 0.864 293 T HN 0.418 nan 8.240 nan 0.000 0.419 294 N N 1.308 120.014 118.700 0.011 0.000 2.424 294 N HA 0.320 5.059 4.740 -0.000 0.000 0.257 294 N C -0.654 174.854 175.510 -0.003 0.000 1.250 294 N CA -0.650 52.395 53.050 -0.010 0.000 0.946 294 N CB 0.193 38.652 38.487 -0.048 0.000 1.175 294 N HN 0.105 nan 8.380 nan 0.000 0.477 295 L N 1.278 122.492 121.223 -0.015 0.000 2.369 295 L HA 0.247 4.586 4.340 -0.000 0.000 0.279 295 L C -0.171 176.684 176.870 -0.026 0.000 1.108 295 L CA 0.207 55.042 54.840 -0.007 0.000 0.852 295 L CB -0.137 41.914 42.059 -0.012 0.000 1.169 295 L HN 0.361 nan 8.230 nan 0.000 0.452 296 R N 6.011 126.499 120.500 -0.021 0.000 2.445 296 R HA 0.692 5.032 4.340 -0.000 0.000 0.308 296 R C -1.239 175.060 176.300 -0.002 0.000 0.961 296 R CA -0.759 55.320 56.100 -0.036 0.000 0.862 296 R CB 1.414 31.675 30.300 -0.065 0.000 1.144 296 R HN 0.616 nan 8.270 nan 0.000 0.447 297 L N 3.554 124.802 121.223 0.042 0.000 2.354 297 L HA 0.520 4.860 4.340 -0.000 0.000 0.269 297 L C -2.326 174.599 176.870 0.092 0.000 1.005 297 L CA -2.769 52.131 54.840 0.101 0.000 0.819 297 L CB 2.146 44.325 42.059 0.201 0.000 1.311 297 L HN 0.279 nan 8.230 nan 0.000 0.423 298 P HA -0.038 nan 4.420 nan 0.000 0.265 298 P C 0.326 177.716 177.300 0.150 0.000 1.187 298 P CA -0.035 63.118 63.100 0.088 0.000 0.766 298 P CB 0.637 32.413 31.700 0.127 0.000 0.820 299 K N 3.942 124.415 120.400 0.122 0.000 2.066 299 K HA -0.319 4.001 4.320 -0.000 0.000 0.221 299 K C 1.736 178.453 176.600 0.194 0.000 1.056 299 K CA 2.262 58.642 56.287 0.155 0.000 0.950 299 K CB -0.222 32.343 32.500 0.109 0.000 0.726 299 K HN 0.243 nan 8.250 nan 0.000 0.456 300 K N -0.077 120.408 120.400 0.141 0.000 2.057 300 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 300 K C 1.977 178.643 176.600 0.110 0.000 1.049 300 K CA 1.549 57.894 56.287 0.098 0.000 0.931 300 K CB 0.076 32.603 32.500 0.044 0.000 0.714 300 K HN 0.080 nan 8.250 nan 0.000 0.440 301 V N 0.811 120.815 119.914 0.151 0.000 2.307 301 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 301 V C 1.968 178.161 176.094 0.165 0.000 1.045 301 V CA 1.702 64.110 62.300 0.180 0.000 1.024 301 V CB -0.601 31.373 31.823 0.252 0.000 0.651 301 V HN 0.301 nan 8.190 nan 0.000 0.449 302 F N 1.495 121.487 119.950 0.069 0.000 2.095 302 F HA -0.212 4.314 4.527 -0.000 0.000 0.298 302 F C 2.386 178.225 175.800 0.065 0.000 1.104 302 F CA 2.229 60.270 58.000 0.067 0.000 1.232 302 F CB -0.292 38.747 39.000 0.065 0.000 0.987 302 F HN 0.207 nan 8.300 nan 0.000 0.475 303 E N 0.162 120.383 120.200 0.035 0.000 2.077 303 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 303 E C 2.366 178.886 176.600 -0.134 0.000 0.989 303 E CA 1.127 57.482 56.400 -0.075 0.000 0.800 303 E CB -0.459 29.272 29.700 0.052 0.000 0.746 303 E HN 0.521 nan 8.360 nan 0.000 0.452 304 A N 1.349 124.132 122.820 -0.061 0.000 1.898 304 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 304 A C 2.372 179.903 177.584 -0.089 0.000 1.181 304 A CA 1.531 53.536 52.037 -0.055 0.000 0.620 304 A CB -0.590 18.412 19.000 0.004 0.000 0.819 304 A HN 0.288 nan 8.150 nan 0.000 0.442 305 A N -0.483 122.280 122.820 -0.095 0.000 1.877 305 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 305 A C 2.220 179.705 177.584 -0.166 0.000 1.186 305 A CA 1.814 53.790 52.037 -0.100 0.000 0.620 305 A CB -0.988 17.971 19.000 -0.067 0.000 0.822 305 A HN 0.389 nan 8.150 nan 0.000 0.443 306 V N 0.200 119.919 119.914 -0.326 0.000 2.343 306 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 306 V C 2.453 178.290 176.094 -0.428 0.000 1.051 306 V CA 2.374 64.426 62.300 -0.413 0.000 1.036 306 V CB -0.701 30.755 31.823 -0.612 0.000 0.654 306 V HN 0.546 nan 8.190 nan 0.000 0.451 307 K N -0.141 120.071 120.400 -0.313 0.000 2.057 307 K HA -0.179 4.140 4.320 -0.000 0.000 0.207 307 K C 2.527 179.009 176.600 -0.197 0.000 1.049 307 K CA 1.731 57.866 56.287 -0.252 0.000 0.931 307 K CB -0.386 32.015 32.500 -0.165 0.000 0.714 307 K HN 0.400 nan 8.250 nan 0.000 0.440 308 S N 0.939 116.555 115.700 -0.139 0.000 2.368 308 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 308 S C 1.937 176.505 174.600 -0.054 0.000 1.029 308 S CA 0.855 59.009 58.200 -0.078 0.000 0.988 308 S CB -0.168 63.006 63.200 -0.045 0.000 0.838 308 S HN 0.185 nan 8.310 nan 0.000 0.462 309 I N 1.047 121.584 120.570 -0.054 0.000 2.286 309 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 309 I C 2.584 178.715 176.117 0.023 0.000 1.115 309 I CA 1.167 62.513 61.300 0.076 0.000 1.392 309 I CB -0.255 37.876 38.000 0.218 0.000 1.065 309 I HN 0.250 nan 8.210 nan 0.000 0.418 310 K N 0.885 121.108 120.400 -0.294 0.000 2.026 310 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 310 K C 2.311 178.852 176.600 -0.099 0.000 1.048 310 K CA 1.555 57.650 56.287 -0.320 0.000 0.929 310 K CB -0.273 31.889 32.500 -0.563 0.000 0.713 310 K HN 0.306 nan 8.250 nan 0.000 0.439 311 A N 1.345 124.104 122.820 -0.102 0.000 1.902 311 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 311 A C 2.332 179.904 177.584 -0.020 0.000 1.181 311 A CA 1.958 53.960 52.037 -0.057 0.000 0.623 311 A CB -0.702 18.263 19.000 -0.058 0.000 0.818 311 A HN 0.361 nan 8.150 nan 0.000 0.443 312 A N 0.035 122.860 122.820 0.008 0.000 1.930 312 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 312 A C 2.211 179.806 177.584 0.018 0.000 1.175 312 A CA 1.996 54.053 52.037 0.034 0.000 0.627 312 A CB -0.671 18.379 19.000 0.083 0.000 0.815 312 A HN 1.041 nan 8.150 nan 0.000 0.443 313 S N -0.058 115.654 115.700 0.020 0.000 2.614 313 S HA 0.071 4.541 4.470 -0.000 0.000 0.230 313 S C 1.458 176.044 174.600 -0.024 0.000 0.952 313 S CA 0.665 58.826 58.200 -0.066 0.000 0.949 313 S CB -0.446 62.663 63.200 -0.150 0.000 0.786 313 S HN 0.793 nan 8.310 nan 0.000 0.478 314 S N 2.276 117.965 115.700 -0.019 0.000 2.440 314 S HA -0.211 4.258 4.470 -0.000 0.000 0.240 314 S C 1.970 176.530 174.600 -0.068 0.000 1.014 314 S CA 1.612 59.791 58.200 -0.036 0.000 0.980 314 S CB -1.681 61.496 63.200 -0.037 0.000 0.775 314 S HN 0.805 nan 8.310 nan 0.000 0.499 315 T N -0.705 113.806 114.554 -0.072 0.000 2.929 315 T HA 0.009 4.359 4.350 -0.000 0.000 0.271 315 T C 0.474 175.105 174.700 -0.115 0.000 1.085 315 T CA 0.812 62.866 62.100 -0.077 0.000 1.125 315 T CB -0.457 68.375 68.868 -0.059 0.000 0.874 315 T HN 0.636 nan 8.240 nan 0.000 0.494 316 E N 0.632 120.720 120.200 -0.186 0.000 2.248 316 E HA 0.473 4.823 4.350 -0.000 0.000 0.267 316 E C -1.016 175.201 176.600 -0.638 0.000 0.877 316 E CA -1.074 55.101 56.400 -0.374 0.000 0.759 316 E CB 1.531 31.020 29.700 -0.353 0.000 1.182 316 E HN -0.022 nan 8.360 nan 0.000 0.418 317 K N 2.282 122.322 120.400 -0.600 0.000 2.185 317 K HA 0.487 4.806 4.320 -0.000 0.000 0.269 317 K C -0.843 175.389 176.600 -0.614 0.000 0.987 317 K CA -0.431 55.589 56.287 -0.446 0.000 0.865 317 K CB 0.590 32.987 32.500 -0.171 0.000 1.090 317 K HN 0.363 nan 8.250 nan 0.000 0.450 318 F N 2.621 122.665 119.950 0.156 0.000 2.522 318 F HA 0.415 4.942 4.527 -0.000 0.000 0.324 318 F C -1.552 174.349 175.800 0.168 0.000 1.077 318 F CA -2.251 55.760 58.000 0.019 0.000 0.944 318 F CB 1.033 39.859 39.000 -0.290 0.000 1.175 318 F HN 0.331 nan 8.300 nan 0.000 0.468 319 P HA 0.058 nan 4.420 nan 0.000 0.269 319 P C 0.085 177.595 177.300 0.350 0.000 1.217 319 P CA -0.032 63.208 63.100 0.234 0.000 0.783 319 P CB 0.749 32.538 31.700 0.148 0.000 0.898 320 D N 1.077 121.658 120.400 0.301 0.000 2.149 320 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 320 D C 2.162 178.639 176.300 0.296 0.000 0.990 320 D CA 1.903 56.102 54.000 0.332 0.000 0.839 320 D CB -0.809 40.121 40.800 0.216 0.000 0.948 320 D HN 0.583 nan 8.370 nan 0.000 0.460 321 G N -0.107 108.821 108.800 0.214 0.000 2.450 321 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 321 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 321 G C 1.454 176.451 174.900 0.161 0.000 1.130 321 G CA 0.421 45.622 45.100 0.168 0.000 0.760 321 G HN 0.274 nan 8.290 nan 0.000 0.557 322 F N 0.491 120.440 119.950 -0.001 0.000 2.075 322 F HA -0.011 4.515 4.527 -0.000 0.000 0.297 322 F C 2.233 177.931 175.800 -0.170 0.000 1.113 322 F CA 1.168 59.065 58.000 -0.172 0.000 1.218 322 F CB -0.424 38.332 39.000 -0.406 0.000 0.984 322 F HN 0.220 nan 8.300 nan 0.000 0.472 323 W N 0.538 121.778 121.300 -0.101 0.000 2.525 323 W HA -0.021 4.639 4.660 -0.000 0.000 0.259 323 W C 1.808 178.402 176.519 0.127 0.000 1.253 323 W CA 0.434 57.638 57.345 -0.236 0.000 1.262 323 W CB -0.511 28.893 29.460 -0.093 0.000 1.122 323 W HN 0.013 nan 8.180 nan 0.000 0.607 324 L N 0.339 121.740 121.223 0.298 0.000 2.591 324 L HA 0.241 4.581 4.340 -0.000 0.000 0.228 324 L C 1.960 178.943 176.870 0.189 0.000 1.133 324 L CA 0.659 55.661 54.840 0.270 0.000 0.880 324 L CB -0.860 41.315 42.059 0.193 0.000 1.033 324 L HN 0.246 nan 8.230 nan 0.000 0.450 325 G N 0.348 109.241 108.800 0.155 0.000 2.155 325 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.257 325 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.257 325 G C 0.737 175.670 174.900 0.056 0.000 0.983 325 G CA 0.789 45.942 45.100 0.089 0.000 0.676 325 G HN 0.518 nan 8.290 nan 0.000 0.528 326 E N -0.585 119.655 120.200 0.066 0.000 2.251 326 E HA 0.112 4.462 4.350 -0.000 0.000 0.194 326 E C 1.295 177.936 176.600 0.069 0.000 0.964 326 E CA 0.729 57.167 56.400 0.063 0.000 0.868 326 E CB 0.163 29.904 29.700 0.067 0.000 0.828 326 E HN 0.785 nan 8.360 nan 0.000 0.481 327 Q N 1.589 121.443 119.800 0.090 0.000 2.309 327 Q HA 0.393 4.733 4.340 -0.000 0.000 0.264 327 Q C -0.582 175.507 176.000 0.149 0.000 1.008 327 Q CA -1.191 54.673 55.803 0.102 0.000 0.853 327 Q CB 1.295 30.090 28.738 0.095 0.000 1.314 327 Q HN -0.005 nan 8.270 nan 0.000 0.448 328 L N 1.123 122.403 121.223 0.095 0.000 2.456 328 L HA 0.705 5.045 4.340 -0.000 0.000 0.257 328 L C -0.468 176.407 176.870 0.008 0.000 1.162 328 L CA -0.645 54.250 54.840 0.092 0.000 0.808 328 L CB 0.791 42.866 42.059 0.027 0.000 1.136 328 L HN 0.506 nan 8.230 nan 0.000 0.466 329 V N 1.043 120.903 119.914 -0.091 0.000 2.604 329 V HA 0.658 4.778 4.120 -0.000 0.000 0.305 329 V C -0.755 175.074 176.094 -0.442 0.000 1.043 329 V CA -0.280 61.766 62.300 -0.424 0.000 0.888 329 V CB 1.540 32.818 31.823 -0.909 0.000 0.995 329 V HN 1.098 nan 8.190 nan 0.000 0.429 330 c N 6.139 124.413 118.600 -0.544 0.000 2.561 330 c HA 0.749 5.318 4.570 -0.000 0.000 0.319 330 c C -0.860 172.922 174.090 -0.513 0.000 1.198 330 c CA -0.921 55.198 56.329 -0.350 0.000 1.665 330 c CB 1.543 43.944 42.510 -0.181 0.000 2.258 330 c HN 0.906 nan 8.230 nan 0.000 0.493 331 W N 1.006 122.315 121.300 0.015 0.000 2.950 331 W HA 0.404 5.064 4.660 -0.000 0.000 0.340 331 W C -0.234 176.288 176.519 0.005 0.000 1.139 331 W CA -0.435 56.917 57.345 0.011 0.000 1.188 331 W CB 1.232 30.695 29.460 0.005 0.000 1.426 331 W HN 0.715 nan 8.180 nan 0.000 0.531 332 Q N 1.680 121.624 119.800 0.240 0.000 2.386 332 Q HA 0.299 4.639 4.340 -0.000 0.000 0.282 332 Q C 0.375 176.456 176.000 0.135 0.000 1.050 332 Q CA 0.150 56.034 55.803 0.136 0.000 0.918 332 Q CB 0.959 29.758 28.738 0.103 0.000 1.266 332 Q HN 0.468 nan 8.270 nan 0.000 0.423 333 A N 2.994 125.868 122.820 0.088 0.000 2.592 333 A HA 0.243 4.562 4.320 -0.000 0.000 0.250 333 A C 1.257 178.887 177.584 0.076 0.000 1.017 333 A CA 0.920 53.001 52.037 0.074 0.000 0.794 333 A CB -1.069 17.955 19.000 0.040 0.000 0.917 333 A HN 1.472 nan 8.150 nan 0.000 0.515 334 G N 1.776 110.631 108.800 0.093 0.000 2.184 334 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 334 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 334 G C 0.904 175.844 174.900 0.067 0.000 0.975 334 G CA 1.357 46.511 45.100 0.090 0.000 0.642 334 G HN 2.224 nan 8.290 nan 0.000 0.536 335 T N -1.489 113.092 114.554 0.045 0.000 3.105 335 T HA 0.392 4.742 4.350 -0.000 0.000 0.253 335 T C 0.938 175.475 174.700 -0.271 0.000 1.047 335 T CA 0.931 63.012 62.100 -0.031 0.000 0.944 335 T CB 0.151 69.042 68.868 0.039 0.000 1.016 335 T HN 0.417 nan 8.240 nan 0.000 0.544 336 T N 5.884 120.199 114.554 -0.398 0.000 2.800 336 T HA 0.124 4.474 4.350 -0.000 0.000 0.283 336 T C -2.125 171.891 174.700 -1.141 0.000 0.999 336 T CA -0.446 60.989 62.100 -1.109 0.000 1.176 336 T CB 0.562 68.658 68.868 -1.287 0.000 0.973 336 T HN 0.271 nan 8.240 nan 0.000 0.519 337 P HA 0.139 nan 4.420 nan 0.000 0.218 337 P C 0.347 177.474 177.300 -0.290 0.000 1.793 337 P CA -0.432 62.336 63.100 -0.555 0.000 0.941 337 P CB -0.325 31.126 31.700 -0.416 0.000 1.919 338 W N 2.197 123.419 121.300 -0.130 0.000 2.290 338 W HA -0.334 4.325 4.660 -0.000 0.000 0.318 338 W C 2.171 178.753 176.519 0.104 0.000 1.248 338 W CA 1.782 59.113 57.345 -0.024 0.000 1.263 338 W CB -1.631 27.803 29.460 -0.043 0.000 1.147 338 W HN 0.296 nan 8.180 nan 0.000 0.494 339 N N 1.525 120.390 118.700 0.275 0.000 2.272 339 N HA -0.222 4.518 4.740 -0.000 0.000 0.185 339 N C 1.455 177.038 175.510 0.122 0.000 1.014 339 N CA 2.174 55.325 53.050 0.169 0.000 0.870 339 N CB -1.102 37.422 38.487 0.061 0.000 0.975 339 N HN 0.463 nan 8.380 nan 0.000 0.433 340 I N -3.818 116.800 120.570 0.080 0.000 2.761 340 I HA 0.171 4.341 4.170 -0.000 0.000 0.261 340 I C -0.334 175.762 176.117 -0.034 0.000 1.198 340 I CA 0.049 61.333 61.300 -0.027 0.000 1.482 340 I CB -0.264 37.659 38.000 -0.128 0.000 1.100 340 I HN -0.147 nan 8.210 nan 0.000 0.445 341 F N 3.752 123.807 119.950 0.176 0.000 2.384 341 F HA 0.503 5.030 4.527 -0.000 0.000 0.338 341 F C -1.918 174.051 175.800 0.281 0.000 1.103 341 F CA -2.544 55.623 58.000 0.279 0.000 1.157 341 F CB 0.398 39.573 39.000 0.292 0.000 1.167 341 F HN -0.101 nan 8.300 nan 0.000 0.529 342 P HA 0.216 nan 4.420 nan 0.000 0.278 342 P C -0.792 176.761 177.300 0.422 0.000 1.258 342 P CA -0.324 62.990 63.100 0.357 0.000 0.811 342 P CB 1.527 33.386 31.700 0.265 0.000 1.063 343 V N -0.608 119.475 119.914 0.282 0.000 2.953 343 V HA 0.474 4.594 4.120 -0.000 0.000 0.304 343 V C 0.114 176.338 176.094 0.216 0.000 1.073 343 V CA -0.481 61.976 62.300 0.261 0.000 1.064 343 V CB 0.239 32.158 31.823 0.161 0.000 1.047 343 V HN 0.300 nan 8.190 nan 0.000 0.478 344 I N 2.447 123.134 120.570 0.194 0.000 2.436 344 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 344 I C -0.184 175.952 176.117 0.033 0.000 1.010 344 I CA -0.174 61.178 61.300 0.086 0.000 1.098 344 I CB 2.049 40.074 38.000 0.042 0.000 1.266 344 I HN 0.699 nan 8.210 nan 0.000 0.434 345 S N 7.123 122.810 115.700 -0.021 0.000 2.449 345 S HA 0.633 5.103 4.470 -0.000 0.000 0.310 345 S C -0.442 174.079 174.600 -0.132 0.000 1.096 345 S CA -0.622 57.516 58.200 -0.104 0.000 1.095 345 S CB 1.269 64.399 63.200 -0.117 0.000 1.007 345 S HN 0.356 nan 8.310 nan 0.000 0.474 346 L N 3.736 124.813 121.223 -0.244 0.000 2.298 346 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 346 L C -1.256 175.384 176.870 -0.383 0.000 1.013 346 L CA -0.783 53.893 54.840 -0.272 0.000 0.824 346 L CB 0.636 42.509 42.059 -0.310 0.000 1.221 346 L HN 0.602 nan 8.230 nan 0.000 0.418 347 Y N 3.890 123.935 120.300 -0.426 0.000 2.313 347 Y HA 0.512 5.062 4.550 -0.000 0.000 0.332 347 Y C 0.117 175.727 175.900 -0.483 0.000 1.071 347 Y CA -0.263 57.557 58.100 -0.468 0.000 1.169 347 Y CB 1.177 39.408 38.460 -0.382 0.000 1.192 347 Y HN 0.374 nan 8.280 nan 0.000 0.487 348 L N 3.917 124.780 121.223 -0.599 0.000 2.342 348 L HA 0.491 4.830 4.340 -0.000 0.000 0.271 348 L C -0.054 176.614 176.870 -0.337 0.000 1.008 348 L CA -1.110 53.401 54.840 -0.549 0.000 0.818 348 L CB 1.844 43.385 42.059 -0.863 0.000 1.296 348 L HN 0.598 nan 8.230 nan 0.000 0.427 349 M N 1.388 120.939 119.600 -0.082 0.000 2.252 349 M HA 0.207 4.687 4.480 -0.000 0.000 0.348 349 M C 0.467 176.892 176.300 0.208 0.000 1.334 349 M CA 0.308 55.650 55.300 0.069 0.000 1.071 349 M CB 0.649 33.305 32.600 0.094 0.000 1.763 349 M HN 0.719 nan 8.290 nan 0.000 0.452 350 G N 3.229 112.202 108.800 0.288 0.000 2.557 350 G HA2 0.215 4.175 3.960 -0.000 0.000 0.292 350 G HA3 0.215 4.175 3.960 -0.000 0.000 0.292 350 G C 0.078 175.154 174.900 0.294 0.000 1.237 350 G CA -0.424 44.935 45.100 0.432 0.000 0.978 350 G HN 0.893 nan 8.290 nan 0.000 0.498 351 E N -1.466 118.895 120.200 0.268 0.000 2.299 351 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 351 E C 0.482 177.157 176.600 0.125 0.000 0.998 351 E CA 0.126 56.626 56.400 0.167 0.000 0.851 351 E CB 0.413 30.185 29.700 0.120 0.000 0.795 351 E HN 0.091 nan 8.360 nan 0.000 0.492 352 V N 2.116 122.117 119.914 0.145 0.000 2.567 352 V HA 0.053 4.173 4.120 -0.000 0.000 0.289 352 V C 0.477 176.639 176.094 0.112 0.000 1.049 352 V CA -0.355 62.013 62.300 0.112 0.000 0.969 352 V CB 1.571 33.464 31.823 0.116 0.000 0.995 352 V HN 0.064 nan 8.190 nan 0.000 0.471 353 T N 5.295 119.899 114.554 0.084 0.000 2.933 353 T HA -0.005 4.345 4.350 -0.000 0.000 0.306 353 T C 0.957 175.706 174.700 0.083 0.000 1.045 353 T CA 0.412 62.557 62.100 0.075 0.000 1.143 353 T CB -0.277 68.625 68.868 0.055 0.000 1.003 353 T HN 0.865 nan 8.240 nan 0.000 0.540 354 N N 1.043 119.792 118.700 0.082 0.000 2.708 354 N HA -0.173 4.566 4.740 -0.000 0.000 0.251 354 N C -0.158 175.418 175.510 0.110 0.000 1.123 354 N CA 0.918 54.019 53.050 0.084 0.000 0.739 354 N CB -0.770 37.757 38.487 0.066 0.000 1.113 354 N HN 0.764 nan 8.380 nan 0.000 0.561 355 Q N 0.161 120.045 119.800 0.139 0.000 2.353 355 Q HA 0.578 4.918 4.340 -0.000 0.000 0.268 355 Q C -0.458 175.676 176.000 0.223 0.000 1.045 355 Q CA -0.524 55.389 55.803 0.183 0.000 0.811 355 Q CB 1.543 30.403 28.738 0.204 0.000 1.305 355 Q HN 0.335 nan 8.270 nan 0.000 0.447 356 S N 1.894 117.747 115.700 0.255 0.000 2.709 356 S HA 0.867 5.337 4.470 -0.000 0.000 0.302 356 S C -0.881 173.911 174.600 0.319 0.000 1.127 356 S CA -0.708 57.643 58.200 0.252 0.000 0.905 356 S CB 1.216 64.530 63.200 0.190 0.000 1.151 356 S HN 0.554 nan 8.310 nan 0.000 0.510 357 F N -1.288 118.687 119.950 0.042 0.000 2.664 357 F HA 0.876 5.402 4.527 -0.000 0.000 0.317 357 F C -0.690 174.923 175.800 -0.310 0.000 1.108 357 F CA -1.319 56.554 58.000 -0.213 0.000 0.957 357 F CB 1.364 39.984 39.000 -0.634 0.000 1.365 357 F HN 0.945 nan 8.300 nan 0.000 0.475 358 R N 1.946 122.197 120.500 -0.416 0.000 2.807 358 R HA 0.840 5.179 4.340 -0.000 0.000 0.276 358 R C -1.487 174.527 176.300 -0.477 0.000 0.979 358 R CA -0.947 54.670 56.100 -0.804 0.000 0.928 358 R CB 2.492 31.942 30.300 -1.417 0.000 1.191 358 R HN 0.999 nan 8.270 nan 0.000 0.471 359 I N -0.813 119.428 120.570 -0.547 0.000 2.433 359 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 359 I C -1.077 174.911 176.117 -0.215 0.000 1.001 359 I CA -0.705 60.331 61.300 -0.439 0.000 1.119 359 I CB 2.528 39.960 38.000 -0.945 0.000 1.289 359 I HN 0.507 nan 8.210 nan 0.000 0.438 360 T N 7.588 122.161 114.554 0.032 0.000 2.792 360 T HA 0.630 4.980 4.350 -0.000 0.000 0.280 360 T C -0.187 174.632 174.700 0.199 0.000 0.990 360 T CA -0.406 61.736 62.100 0.069 0.000 0.960 360 T CB 1.380 70.259 68.868 0.019 0.000 0.939 360 T HN 0.658 nan 8.240 nan 0.000 0.439 361 I N 1.125 121.805 120.570 0.183 0.000 2.603 361 I HA 0.719 4.889 4.170 -0.000 0.000 0.300 361 I C -0.858 175.365 176.117 0.175 0.000 1.017 361 I CA -1.219 60.187 61.300 0.177 0.000 1.098 361 I CB 1.214 39.355 38.000 0.235 0.000 1.279 361 I HN 0.431 nan 8.210 nan 0.000 0.437 362 L N 4.255 125.527 121.223 0.082 0.000 2.416 362 L HA 0.536 4.876 4.340 -0.000 0.000 0.263 362 L C -1.435 175.318 176.870 -0.195 0.000 1.065 362 L CA -1.787 53.068 54.840 0.025 0.000 0.798 362 L CB 1.041 43.068 42.059 -0.053 0.000 1.267 362 L HN 0.461 nan 8.230 nan 0.000 0.467 363 P HA -0.141 nan 4.420 nan 0.000 0.222 363 P C 0.872 177.865 177.300 -0.512 0.000 1.147 363 P CA 1.056 63.570 63.100 -0.976 0.000 0.790 363 P CB 0.279 31.762 31.700 -0.362 0.000 0.780 364 Q N -0.549 118.965 119.800 -0.477 0.000 2.364 364 Q HA -0.150 4.190 4.340 -0.000 0.000 0.209 364 Q C 2.149 178.012 176.000 -0.230 0.000 0.977 364 Q CA 1.415 56.886 55.803 -0.553 0.000 0.885 364 Q CB -0.388 27.908 28.738 -0.737 0.000 0.941 364 Q HN 0.304 nan 8.270 nan 0.000 0.464 365 Q N -1.651 118.042 119.800 -0.178 0.000 2.178 365 Q HA -0.029 4.310 4.340 -0.000 0.000 0.195 365 Q C 1.380 177.394 176.000 0.022 0.000 0.960 365 Q CA 0.998 56.777 55.803 -0.040 0.000 0.843 365 Q CB -0.108 28.640 28.738 0.018 0.000 0.927 365 Q HN 0.665 nan 8.270 nan 0.000 0.487 366 Y N -0.992 119.327 120.300 0.032 0.000 2.583 366 Y HA 0.327 4.877 4.550 -0.000 0.000 0.293 366 Y C -0.178 175.726 175.900 0.007 0.000 1.157 366 Y CA -0.097 58.003 58.100 0.000 0.000 1.315 366 Y CB -0.152 38.302 38.460 -0.011 0.000 1.021 366 Y HN -0.150 nan 8.280 nan 0.000 0.536 367 L N 3.081 124.272 121.223 -0.054 0.000 2.276 367 L HA 0.424 4.764 4.340 -0.000 0.000 0.286 367 L C 0.025 177.029 176.870 0.222 0.000 1.024 367 L CA -0.658 54.220 54.840 0.064 0.000 0.826 367 L CB 1.305 43.245 42.059 -0.198 0.000 1.211 367 L HN 0.087 nan 8.230 nan 0.000 0.422 368 R N 5.212 125.864 120.500 0.252 0.000 2.216 368 R HA 0.322 4.662 4.340 -0.000 0.000 0.332 368 R C -2.415 174.061 176.300 0.293 0.000 1.056 368 R CA -1.459 54.779 56.100 0.229 0.000 0.901 368 R CB 0.919 31.296 30.300 0.129 0.000 1.039 368 R HN 0.228 nan 8.270 nan 0.000 0.456 369 P HA -0.027 nan 4.420 nan 0.000 0.267 369 P C -1.080 176.208 177.300 -0.019 0.000 1.205 369 P CA -0.148 62.981 63.100 0.048 0.000 0.765 369 P CB 1.030 32.779 31.700 0.082 0.000 0.828 370 V N -0.003 119.851 119.914 -0.099 0.000 3.078 370 V HA 0.649 4.769 4.120 -0.000 0.000 0.311 370 V C -0.452 175.597 176.094 -0.075 0.000 1.138 370 V CA -1.316 60.953 62.300 -0.052 0.000 1.007 370 V CB 2.198 34.012 31.823 -0.015 0.000 1.045 370 V HN 0.206 nan 8.190 nan 0.000 0.432 371 E N 1.557 121.731 120.200 -0.043 0.000 2.313 371 E HA 0.360 4.710 4.350 -0.000 0.000 0.272 371 E C -0.270 176.305 176.600 -0.041 0.000 1.038 371 E CA -0.119 56.257 56.400 -0.040 0.000 0.863 371 E CB 1.142 30.829 29.700 -0.022 0.000 1.060 371 E HN 0.898 nan 8.360 nan 0.000 0.402 377 Q N 0.291 120.087 119.800 -0.006 0.000 2.280 377 Q HA 0.257 4.596 4.340 -0.000 0.000 0.201 377 Q C -0.824 175.181 176.000 0.009 0.000 0.890 377 Q CA -0.110 55.692 55.803 -0.002 0.000 0.947 377 Q CB 0.084 28.822 28.738 -0.001 0.000 1.081 377 Q HN 0.514 nan 8.270 nan 0.000 0.502 378 D N 1.142 121.547 120.400 0.007 0.000 2.362 378 D HA 0.034 4.674 4.640 -0.000 0.000 0.242 378 D C -0.564 175.746 176.300 0.017 0.000 1.132 378 D CA 0.337 54.352 54.000 0.025 0.000 0.907 378 D CB 0.695 41.498 40.800 0.005 0.000 1.195 378 D HN -0.060 nan 8.370 nan 0.000 0.429 379 D N 0.711 121.151 120.400 0.068 0.000 2.317 379 D HA 0.237 4.877 4.640 -0.000 0.000 0.234 379 D C -0.440 175.811 176.300 -0.081 0.000 1.112 379 D CA -0.164 53.843 54.000 0.012 0.000 0.840 379 D CB 0.552 41.456 40.800 0.174 0.000 1.078 379 D HN 0.168 nan 8.370 nan 0.000 0.486 380 c N 2.803 121.182 118.600 -0.369 0.000 2.529 380 c HA 0.695 5.265 4.570 -0.000 0.000 0.329 380 c C -0.635 173.064 174.090 -0.653 0.000 1.194 380 c CA -0.755 55.377 56.329 -0.328 0.000 1.779 380 c CB 0.244 42.658 42.510 -0.161 0.000 2.322 380 c HN 0.547 nan 8.230 nan 0.000 0.500 381 Y N -0.280 120.067 120.300 0.080 0.000 2.597 381 Y HA 0.539 5.088 4.550 -0.000 0.000 0.340 381 Y C -0.114 175.876 175.900 0.150 0.000 1.097 381 Y CA -0.953 57.220 58.100 0.122 0.000 1.037 381 Y CB 1.268 39.822 38.460 0.157 0.000 1.305 381 Y HN 0.463 nan 8.280 nan 0.000 0.463 382 K N 1.046 121.629 120.400 0.306 0.000 2.203 382 K HA 0.429 4.749 4.320 -0.000 0.000 0.251 382 K C -1.483 175.245 176.600 0.213 0.000 0.944 382 K CA -0.949 55.476 56.287 0.230 0.000 0.829 382 K CB 1.673 34.245 32.500 0.121 0.000 1.125 382 K HN 0.537 nan 8.250 nan 0.000 0.430 383 F N 2.076 121.891 119.950 -0.226 0.000 2.471 383 F HA 0.195 4.722 4.527 -0.000 0.000 0.365 383 F C 0.329 176.083 175.800 -0.078 0.000 1.095 383 F CA -0.595 57.202 58.000 -0.339 0.000 1.174 383 F CB 0.448 38.845 39.000 -1.005 0.000 1.105 383 F HN 0.585 nan 8.300 nan 0.000 0.535 384 A N 8.145 130.817 122.820 -0.247 0.000 2.797 384 A HA 0.422 4.741 4.320 -0.000 0.000 0.287 384 A C -0.047 177.350 177.584 -0.312 0.000 1.369 384 A CA -0.244 51.682 52.037 -0.185 0.000 0.968 384 A CB -1.183 17.805 19.000 -0.020 0.000 1.069 384 A HN 0.628 nan 8.150 nan 0.000 0.571 385 I N 1.060 121.231 120.570 -0.665 0.000 2.466 385 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 385 I C -0.223 175.829 176.117 -0.109 0.000 1.026 385 I CA -0.364 60.672 61.300 -0.439 0.000 1.078 385 I CB 2.308 39.942 38.000 -0.609 0.000 1.249 385 I HN 0.284 nan 8.210 nan 0.000 0.429 386 S N 4.110 119.773 115.700 -0.063 0.000 2.627 386 S HA 0.475 4.945 4.470 -0.000 0.000 0.283 386 S C -0.861 173.401 174.600 -0.563 0.000 1.127 386 S CA -0.949 57.089 58.200 -0.271 0.000 0.863 386 S CB 2.035 65.123 63.200 -0.187 0.000 1.121 386 S HN 0.643 nan 8.310 nan 0.000 0.479 387 Q N 0.566 119.753 119.800 -1.021 0.000 2.327 387 Q HA 0.503 4.843 4.340 -0.000 0.000 0.254 387 Q C -0.609 175.207 176.000 -0.306 0.000 0.952 387 Q CA -0.127 55.218 55.803 -0.764 0.000 0.884 387 Q CB 0.931 29.214 28.738 -0.758 0.000 1.224 387 Q HN 0.750 nan 8.270 nan 0.000 0.422 388 S N 0.786 116.384 115.700 -0.169 0.000 2.568 388 S HA 0.407 4.877 4.470 -0.000 0.000 0.293 388 S C -0.066 174.481 174.600 -0.088 0.000 1.089 388 S CA -0.238 57.893 58.200 -0.114 0.000 0.945 388 S CB 1.562 64.704 63.200 -0.097 0.000 1.077 388 S HN 0.696 nan 8.310 nan 0.000 0.485 389 S N 0.875 116.521 115.700 -0.090 0.000 2.559 389 S HA 0.131 4.601 4.470 -0.000 0.000 0.226 389 S C 0.785 175.296 174.600 -0.147 0.000 1.000 389 S CA 0.388 58.535 58.200 -0.089 0.000 0.948 389 S CB -0.108 63.060 63.200 -0.052 0.000 0.870 389 S HN 0.891 nan 8.310 nan 0.000 0.497 390 T N -1.665 112.797 114.554 -0.155 0.000 3.296 390 T HA 0.616 4.966 4.350 -0.000 0.000 0.285 390 T C 0.862 175.431 174.700 -0.219 0.000 1.014 390 T CA 0.119 62.108 62.100 -0.184 0.000 0.920 390 T CB -0.032 68.751 68.868 -0.142 0.000 1.143 390 T HN 1.258 nan 8.240 nan 0.000 0.522 391 G N 1.081 109.747 108.800 -0.223 0.000 2.631 391 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.504 391 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.504 391 G C -0.451 174.388 174.900 -0.102 0.000 1.306 391 G CA -0.647 44.346 45.100 -0.178 0.000 0.897 391 G HN 0.490 nan 8.290 nan 0.000 0.520 392 T N 0.104 114.627 114.554 -0.052 0.000 2.901 392 T HA 0.476 4.826 4.350 -0.000 0.000 0.301 392 T C 0.405 175.075 174.700 -0.050 0.000 1.012 392 T CA 0.224 62.310 62.100 -0.024 0.000 1.135 392 T CB 1.264 70.139 68.868 0.013 0.000 0.936 392 T HN 1.152 nan 8.240 nan 0.000 0.539 393 V N 5.144 125.035 119.914 -0.039 0.000 2.376 393 V HA 0.311 4.431 4.120 -0.000 0.000 0.287 393 V C 0.031 176.129 176.094 0.007 0.000 1.015 393 V CA -0.693 61.587 62.300 -0.033 0.000 0.834 393 V CB 1.314 33.107 31.823 -0.051 0.000 1.001 393 V HN 0.900 nan 8.190 nan 0.000 0.428 394 M N 4.607 124.231 119.600 0.039 0.000 2.725 394 M HA 0.360 4.840 4.480 -0.000 0.000 0.322 394 M C 1.028 177.387 176.300 0.098 0.000 1.393 394 M CA 0.129 55.473 55.300 0.073 0.000 1.452 394 M CB 0.458 33.118 32.600 0.100 0.000 1.242 394 M HN 0.794 nan 8.290 nan 0.000 0.487 395 G N 1.009 109.855 108.800 0.077 0.000 2.553 395 G HA2 0.426 4.386 3.960 -0.000 0.000 0.278 395 G HA3 0.426 4.386 3.960 -0.000 0.000 0.278 395 G C 0.912 175.878 174.900 0.110 0.000 1.349 395 G CA 0.005 45.153 45.100 0.081 0.000 1.037 395 G HN 0.728 nan 8.290 nan 0.000 0.508 396 A N -1.068 121.819 122.820 0.113 0.000 1.917 396 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 396 A C 2.630 180.297 177.584 0.139 0.000 1.182 396 A CA 3.191 55.315 52.037 0.145 0.000 0.633 396 A CB -1.040 18.086 19.000 0.210 0.000 0.819 396 A HN 1.392 nan 8.150 nan 0.000 0.448 397 V N -1.953 118.033 119.914 0.120 0.000 2.490 397 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 397 V C 2.095 178.261 176.094 0.120 0.000 1.061 397 V CA 1.818 64.183 62.300 0.109 0.000 1.064 397 V CB -0.885 30.993 31.823 0.092 0.000 0.670 397 V HN 0.410 nan 8.190 nan 0.000 0.461 398 I N 0.033 120.692 120.570 0.149 0.000 2.233 398 I HA -0.099 4.071 4.170 -0.000 0.000 0.243 398 I C 2.738 179.039 176.117 0.307 0.000 1.093 398 I CA 1.864 63.300 61.300 0.226 0.000 1.380 398 I CB -1.135 36.988 38.000 0.206 0.000 1.067 398 I HN 0.318 nan 8.210 nan 0.000 0.413 399 M N 0.168 119.916 119.600 0.246 0.000 2.267 399 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 399 M C 1.909 178.285 176.300 0.127 0.000 1.063 399 M CA 1.488 56.929 55.300 0.235 0.000 1.090 399 M CB -0.557 32.132 32.600 0.148 0.000 1.392 399 M HN 0.244 nan 8.290 nan 0.000 0.422 400 E N 0.017 120.250 120.200 0.055 0.000 2.333 400 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 400 E C 2.023 178.571 176.600 -0.088 0.000 1.007 400 E CA 0.857 57.246 56.400 -0.018 0.000 0.845 400 E CB -0.170 29.538 29.700 0.014 0.000 0.766 400 E HN 0.637 nan 8.360 nan 0.000 0.507 401 G N -0.146 108.514 108.800 -0.232 0.000 2.623 401 G HA2 0.028 3.987 3.960 -0.000 0.000 0.214 401 G HA3 0.028 3.987 3.960 -0.000 0.000 0.214 401 G C 0.206 174.467 174.900 -1.065 0.000 1.138 401 G CA 0.032 44.709 45.100 -0.705 0.000 0.794 401 G HN -0.001 nan 8.290 nan 0.000 0.535 402 F N -2.358 117.639 119.950 0.078 0.000 2.613 402 F HA 0.483 5.010 4.527 -0.000 0.000 0.314 402 F C -0.904 174.967 175.800 0.119 0.000 1.075 402 F CA -1.752 56.310 58.000 0.104 0.000 0.945 402 F CB 1.487 40.600 39.000 0.188 0.000 1.310 402 F HN -0.098 nan 8.300 nan 0.000 0.467 403 Y N 2.243 122.623 120.300 0.132 0.000 2.350 403 Y HA 0.632 5.182 4.550 -0.000 0.000 0.340 403 Y C -0.958 174.842 175.900 -0.167 0.000 1.006 403 Y CA -1.319 56.775 58.100 -0.010 0.000 1.166 403 Y CB 0.751 39.212 38.460 0.002 0.000 1.168 403 Y HN 0.300 nan 8.280 nan 0.000 0.502 404 V N 7.447 127.087 119.914 -0.457 0.000 2.384 404 V HA 0.357 4.477 4.120 -0.000 0.000 0.287 404 V C -0.675 174.854 176.094 -0.942 0.000 1.020 404 V CA -1.032 60.779 62.300 -0.815 0.000 0.850 404 V CB 1.360 32.746 31.823 -0.728 0.000 0.987 404 V HN 0.551 nan 8.190 nan 0.000 0.436 405 V N 5.619 124.908 119.914 -1.041 0.000 2.333 405 V HA 0.398 4.518 4.120 -0.000 0.000 0.274 405 V C -0.360 175.232 176.094 -0.838 0.000 1.028 405 V CA -0.263 61.556 62.300 -0.802 0.000 0.851 405 V CB 0.929 32.392 31.823 -0.600 0.000 1.000 405 V HN 0.724 nan 8.190 nan 0.000 0.456 406 F N 2.846 122.280 119.950 -0.861 0.000 2.499 406 F HA 0.263 4.790 4.527 -0.000 0.000 0.353 406 F C 0.879 176.289 175.800 -0.650 0.000 1.196 406 F CA -0.440 56.973 58.000 -0.978 0.000 1.244 406 F CB 0.328 38.188 39.000 -1.900 0.000 1.577 406 F HN 0.433 nan 8.300 nan 0.000 0.614 407 D N 2.553 122.815 120.400 -0.229 0.000 2.551 407 D HA 0.078 4.718 4.640 -0.000 0.000 0.223 407 D C 1.438 177.750 176.300 0.020 0.000 1.144 407 D CA 0.134 54.079 54.000 -0.092 0.000 1.025 407 D CB 0.243 41.004 40.800 -0.065 0.000 1.085 407 D HN 0.414 nan 8.370 nan 0.000 0.506 408 R N 1.642 122.185 120.500 0.072 0.000 2.096 408 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 408 R C 2.130 178.538 176.300 0.180 0.000 1.127 408 R CA 1.438 57.678 56.100 0.233 0.000 0.968 408 R CB -0.068 30.402 30.300 0.284 0.000 0.861 408 R HN 0.370 nan 8.270 nan 0.000 0.440 409 A N 1.078 123.970 122.820 0.121 0.000 1.940 409 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 409 A C 1.707 179.320 177.584 0.049 0.000 1.176 409 A CA 1.346 53.437 52.037 0.089 0.000 0.631 409 A CB -0.182 18.859 19.000 0.069 0.000 0.814 409 A HN 0.227 nan 8.150 nan 0.000 0.446 410 R N -1.664 118.847 120.500 0.017 0.000 2.546 410 R HA 0.222 4.562 4.340 -0.000 0.000 0.320 410 R C -0.031 176.273 176.300 0.007 0.000 1.021 410 R CA 0.054 56.142 56.100 -0.020 0.000 1.088 410 R CB 0.110 30.350 30.300 -0.101 0.000 1.278 410 R HN 0.449 nan 8.270 nan 0.000 0.557 411 K N 2.147 122.586 120.400 0.066 0.000 3.278 411 K HA -0.238 4.082 4.320 -0.000 0.000 0.270 411 K C -1.058 175.605 176.600 0.105 0.000 0.955 411 K CA 0.867 57.216 56.287 0.103 0.000 0.723 411 K CB -0.631 31.907 32.500 0.063 0.000 1.382 411 K HN 0.447 nan 8.250 nan 0.000 0.461 412 R N -0.248 120.311 120.500 0.099 0.000 2.680 412 R HA 0.594 4.933 4.340 -0.000 0.000 0.269 412 R C -0.968 175.392 176.300 0.099 0.000 1.026 412 R CA -1.126 55.046 56.100 0.120 0.000 0.889 412 R CB 1.100 31.447 30.300 0.077 0.000 1.241 412 R HN 0.062 nan 8.270 nan 0.000 0.463 413 I N 1.196 121.823 120.570 0.096 0.000 2.406 413 I HA 0.446 4.616 4.170 -0.000 0.000 0.290 413 I C 0.159 176.159 176.117 -0.195 0.000 0.999 413 I CA -0.801 60.379 61.300 -0.200 0.000 1.124 413 I CB 2.290 40.083 38.000 -0.345 0.000 1.289 413 I HN 0.860 nan 8.210 nan 0.000 0.441 414 G N 5.389 113.842 108.800 -0.579 0.000 2.371 414 G HA2 0.708 4.668 3.960 -0.000 0.000 0.326 414 G HA3 0.708 4.668 3.960 -0.000 0.000 0.326 414 G C -1.258 173.088 174.900 -0.923 0.000 1.127 414 G CA -0.215 44.273 45.100 -1.020 0.000 0.885 414 G HN 0.328 nan 8.290 nan 0.000 0.477 415 F N 0.591 120.203 119.950 -0.563 0.000 2.540 415 F HA 0.725 5.252 4.527 -0.000 0.000 0.317 415 F C 0.396 176.042 175.800 -0.255 0.000 1.104 415 F CA -0.547 57.243 58.000 -0.349 0.000 0.913 415 F CB 2.763 41.595 39.000 -0.281 0.000 1.170 415 F HN 0.713 nan 8.300 nan 0.000 0.450 416 A N 1.591 124.459 122.820 0.079 0.000 2.539 416 A HA 0.749 5.068 4.320 -0.000 0.000 0.296 416 A C -1.334 176.476 177.584 0.377 0.000 1.073 416 A CA -0.857 51.277 52.037 0.161 0.000 0.700 416 A CB 1.161 20.111 19.000 -0.083 0.000 1.296 416 A HN 0.464 nan 8.150 nan 0.000 0.405 417 V N 1.726 121.837 119.914 0.328 0.000 2.557 417 V HA 0.166 4.286 4.120 -0.000 0.000 0.301 417 V C 1.244 177.440 176.094 0.170 0.000 1.026 417 V CA 0.536 62.936 62.300 0.167 0.000 1.137 417 V CB 1.043 32.896 31.823 0.050 0.000 0.917 417 V HN 0.927 nan 8.190 nan 0.000 0.484 418 S N 4.107 119.844 115.700 0.062 0.000 2.549 418 S HA 0.349 4.819 4.470 -0.000 0.000 0.279 418 S C 1.318 176.022 174.600 0.172 0.000 1.321 418 S CA -0.134 58.144 58.200 0.130 0.000 1.054 418 S CB 1.211 64.451 63.200 0.066 0.000 0.899 418 S HN 0.996 nan 8.310 nan 0.000 0.497 419 A N 3.175 126.051 122.820 0.093 0.000 2.121 419 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 419 A C 1.851 179.455 177.584 0.034 0.000 1.154 419 A CA 1.280 53.348 52.037 0.052 0.000 0.679 419 A CB -1.049 17.939 19.000 -0.021 0.000 0.795 419 A HN 1.227 nan 8.150 nan 0.000 0.458 420 c N -0.771 117.846 118.600 0.029 0.000 2.881 420 c HA 0.371 4.941 4.570 -0.000 0.000 0.290 420 c C 0.808 174.890 174.090 -0.013 0.000 1.362 420 c CA -0.377 55.945 56.329 -0.013 0.000 1.757 420 c CB -1.984 40.508 42.510 -0.031 0.000 2.265 420 c HN 0.653 nan 8.230 nan 0.000 0.600 421 H N 0.606 119.647 119.070 -0.048 0.000 2.732 421 H HA 0.466 5.022 4.556 -0.000 0.000 0.351 421 H C -0.743 174.564 175.328 -0.036 0.000 1.090 421 H CA -0.002 55.998 56.048 -0.081 0.000 1.431 421 H CB 0.905 30.572 29.762 -0.159 0.000 1.447 421 H HN 0.179 nan 8.280 nan 0.000 0.582 422 V N 5.821 125.633 119.914 -0.171 0.000 2.530 422 V HA 0.186 4.306 4.120 -0.000 0.000 0.282 422 V C 0.214 176.127 176.094 -0.301 0.000 1.048 422 V CA 0.224 62.349 62.300 -0.291 0.000 0.997 422 V CB -0.085 31.604 31.823 -0.223 0.000 0.987 422 V HN 1.078 nan 8.190 nan 0.000 0.477 423 H N 1.953 120.771 119.070 -0.420 0.000 2.984 423 H HA 0.832 5.388 4.556 -0.000 0.000 0.277 423 H C -1.157 173.957 175.328 -0.358 0.000 1.502 423 H CA -0.934 54.895 56.048 -0.364 0.000 1.195 423 H CB 1.100 30.701 29.762 -0.268 0.000 1.866 423 H HN 0.562 nan 8.280 nan 0.000 0.594 424 D N -1.851 118.489 120.400 -0.100 0.000 2.687 424 D HA 0.140 4.780 4.640 -0.000 0.000 0.264 424 D C 0.660 176.942 176.300 -0.030 0.000 1.091 424 D CA -0.527 53.381 54.000 -0.153 0.000 1.123 424 D CB 0.657 41.380 40.800 -0.129 0.000 1.407 424 D HN 0.850 nan 8.370 nan 0.000 0.591 425 E N -0.836 119.200 120.200 -0.273 0.000 2.418 425 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 425 E C 0.718 177.059 176.600 -0.431 0.000 1.026 425 E CA 0.677 56.841 56.400 -0.393 0.000 0.862 425 E CB -0.443 28.903 29.700 -0.590 0.000 0.799 425 E HN 0.476 nan 8.360 nan 0.000 0.518 426 F N 0.709 120.694 119.950 0.058 0.000 2.582 426 F HA 0.341 4.868 4.527 -0.000 0.000 0.290 426 F C 1.253 177.079 175.800 0.043 0.000 1.115 426 F CA -0.242 57.787 58.000 0.049 0.000 1.445 426 F CB 0.523 39.555 39.000 0.054 0.000 1.126 426 F HN -0.238 nan 8.300 nan 0.000 0.574 427 R N -0.734 119.881 120.500 0.191 0.000 2.771 427 R HA 0.545 4.885 4.340 -0.000 0.000 0.274 427 R C -0.958 175.380 176.300 0.064 0.000 0.987 427 R CA -0.571 55.603 56.100 0.123 0.000 0.908 427 R CB 2.259 32.641 30.300 0.135 0.000 1.213 427 R HN -0.174 nan 8.270 nan 0.000 0.468 428 T N -0.204 114.368 114.554 0.030 0.000 2.896 428 T HA 0.657 5.007 4.350 -0.000 0.000 0.297 428 T C -0.798 173.915 174.700 0.020 0.000 1.108 428 T CA -0.424 61.695 62.100 0.031 0.000 1.004 428 T CB 1.595 70.397 68.868 -0.110 0.000 1.159 428 T HN 0.665 nan 8.240 nan 0.000 0.499 429 A N 1.553 124.311 122.820 -0.103 0.000 2.406 429 A HA 0.759 5.078 4.320 -0.000 0.000 0.243 429 A C 0.376 177.865 177.584 -0.158 0.000 1.082 429 A CA 0.121 51.990 52.037 -0.280 0.000 0.786 429 A CB -0.349 18.183 19.000 -0.780 0.000 1.029 429 A HN 1.441 nan 8.150 nan 0.000 0.495 430 A N 0.065 122.900 122.820 0.024 0.000 2.556 430 A HA 0.672 4.992 4.320 -0.000 0.000 0.294 430 A C -1.238 176.434 177.584 0.147 0.000 1.091 430 A CA -0.436 51.641 52.037 0.066 0.000 0.704 430 A CB 1.610 20.627 19.000 0.029 0.000 1.300 430 A HN 1.385 nan 8.150 nan 0.000 0.406 431 V N 1.776 121.755 119.914 0.109 0.000 2.462 431 V HA 0.504 4.624 4.120 -0.000 0.000 0.288 431 V C -0.634 175.423 176.094 -0.061 0.000 1.020 431 V CA -0.278 62.053 62.300 0.052 0.000 0.857 431 V CB 1.020 32.936 31.823 0.155 0.000 1.013 431 V HN 0.958 nan 8.190 nan 0.000 0.431 432 E N 2.395 122.455 120.200 -0.233 0.000 2.367 432 E HA 0.876 5.226 4.350 -0.000 0.000 0.273 432 E C -0.034 176.176 176.600 -0.650 0.000 0.903 432 E CA -0.728 55.481 56.400 -0.318 0.000 0.764 432 E CB 3.038 32.691 29.700 -0.079 0.000 1.252 432 E HN 0.849 nan 8.360 nan 0.000 0.446 433 G N 1.254 109.531 108.800 -0.871 0.000 2.430 433 G HA2 0.430 4.390 3.960 -0.000 0.000 0.300 433 G HA3 0.430 4.390 3.960 -0.000 0.000 0.300 433 G C -2.965 171.569 174.900 -0.610 0.000 1.330 433 G CA -0.741 43.675 45.100 -1.140 0.000 0.813 433 G HN 0.380 nan 8.290 nan 0.000 0.487 434 P HA 0.776 nan 4.420 nan 0.000 0.283 434 P C -1.494 175.436 177.300 -0.618 0.000 1.271 434 P CA -0.574 62.307 63.100 -0.364 0.000 0.841 434 P CB 1.300 33.060 31.700 0.100 0.000 1.122 435 F N -1.308 118.663 119.950 0.035 0.000 2.563 435 F HA 0.332 4.859 4.527 -0.000 0.000 0.316 435 F C 0.117 175.956 175.800 0.066 0.000 1.076 435 F CA -1.172 56.866 58.000 0.064 0.000 0.921 435 F CB 1.843 40.914 39.000 0.119 0.000 1.209 435 F HN -0.094 nan 8.300 nan 0.000 0.462 436 V N 2.078 122.124 119.914 0.219 0.000 2.427 436 V HA 0.338 4.458 4.120 -0.000 0.000 0.268 436 V C -0.296 175.870 176.094 0.120 0.000 1.046 436 V CA -0.065 62.318 62.300 0.139 0.000 0.970 436 V CB 0.566 32.445 31.823 0.094 0.000 1.001 436 V HN 0.813 nan 8.190 nan 0.000 0.476 437 T N 6.628 121.244 114.554 0.103 0.000 2.841 437 T HA 0.619 4.969 4.350 -0.000 0.000 0.285 437 T C -0.347 174.383 174.700 0.050 0.000 0.991 437 T CA -0.480 61.657 62.100 0.061 0.000 0.966 437 T CB 1.286 70.188 68.868 0.056 0.000 0.962 437 T HN 0.297 nan 8.240 nan 0.000 0.438 438 L N 2.033 123.274 121.223 0.030 0.000 2.399 438 L HA 0.433 4.773 4.340 -0.000 0.000 0.265 438 L C 0.194 177.078 176.870 0.024 0.000 1.089 438 L CA -0.889 53.968 54.840 0.028 0.000 0.802 438 L CB 0.410 42.481 42.059 0.019 0.000 1.180 438 L HN 0.679 nan 8.230 nan 0.000 0.454 439 D N 1.669 122.084 120.400 0.026 0.000 2.692 439 D HA -0.229 4.410 4.640 -0.000 0.000 0.233 439 D C 1.056 177.373 176.300 0.029 0.000 1.172 439 D CA 0.775 54.789 54.000 0.023 0.000 0.636 439 D CB -0.430 40.379 40.800 0.014 0.000 1.028 439 D HN 0.601 nan 8.370 nan 0.000 0.419 440 M N -0.483 119.141 119.600 0.040 0.000 2.296 440 M HA -0.132 4.347 4.480 -0.000 0.000 0.265 440 M C 2.058 178.391 176.300 0.054 0.000 1.064 440 M CA 1.254 56.583 55.300 0.049 0.000 1.109 440 M CB -0.064 32.572 32.600 0.060 0.000 1.396 440 M HN 0.070 nan 8.290 nan 0.000 0.430 441 E N 0.493 120.722 120.200 0.049 0.000 2.204 441 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 441 E C 1.229 177.856 176.600 0.045 0.000 0.990 441 E CA 0.829 57.258 56.400 0.048 0.000 0.821 441 E CB -0.032 29.690 29.700 0.038 0.000 0.750 441 E HN 0.430 nan 8.360 nan 0.000 0.477 442 D N -0.226 120.195 120.400 0.036 0.000 2.263 442 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 442 D C 1.567 177.894 176.300 0.045 0.000 0.971 442 D CA 0.578 54.596 54.000 0.030 0.000 0.867 442 D CB -0.192 40.618 40.800 0.016 0.000 0.929 442 D HN 0.246 nan 8.370 nan 0.000 0.492 443 c N 0.536 119.171 118.600 0.058 0.000 2.446 443 c HA 0.170 4.740 4.570 -0.000 0.000 0.279 443 c C 1.664 175.825 174.090 0.119 0.000 1.366 443 c CA -0.082 56.294 56.329 0.078 0.000 1.763 443 c CB -1.068 41.494 42.510 0.086 0.000 1.929 443 c HN 0.236 nan 8.230 nan 0.000 0.509 444 G N -1.018 107.853 108.800 0.118 0.000 2.442 444 G HA2 0.365 4.325 3.960 -0.000 0.000 0.249 444 G HA3 0.365 4.325 3.960 -0.000 0.000 0.249 444 G C -0.946 174.069 174.900 0.192 0.000 1.263 444 G CA 0.043 45.236 45.100 0.154 0.000 0.846 444 G HN 0.429 nan 8.290 nan 0.000 0.555 445 Y N 2.454 122.820 120.300 0.110 0.000 2.334 445 Y HA 0.406 4.956 4.550 -0.000 0.000 0.328 445 Y C 0.257 176.217 175.900 0.101 0.000 1.130 445 Y CA -0.851 57.322 58.100 0.122 0.000 1.163 445 Y CB 0.984 39.558 38.460 0.190 0.000 1.207 445 Y HN 0.495 nan 8.280 nan 0.000 0.471 446 N N 0.000 118.334 118.700 -0.611 0.000 1.763 446 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 446 N CA 0.000 52.767 53.050 -0.471 0.000 0.885 446 N CB 0.000 38.334 38.487 -0.256 0.000 1.341 446 N HN 0.000 nan 8.380 nan 0.000 0.667