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 2c9g_1_E DATA FIRST_RESID 49 DATA SEQUENCE TGGRNSIRYS ELAPLFDTTR VYLVDNKSTD VASLNYQNDH SNFLTTVIQN DATA SEQUENCE NDYSPGEAST QTINLDDRSH WGGDLKTILH TNMPNVNEFM FTNKFKARVM DATA SEQUENCE VSRSLTKDKQ VELKYEWVEF TLPEGNYSET MTIDLMNNAI VEHYLKVGRQ DATA SEQUENCE NGVLESDIGV KFDTRNFRLG FDPVTGLVMP GVYTNEAFHP DIILLPGCGV DATA SEQUENCE DFTHSRLSNL LGIRKRQPFQ EGFRITYDDL EGGNIPALLD VDAYQASLKD DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXPQKKPV IKPLTEDSKK RSYNLISNDS DATA SEQUENCE TFTQYRSWYL AYNYGDPQTG IRSWTLLCTP DVTCGSEQVY WSLPDMMQDP DATA SEQUENCE VTFRSTSQIS NFPVVGAELL PVHSKSFYND QAVYSQLIRQ FTSLTHVFNR DATA SEQUENCE FPENQILARP PAPTITTVSE NVPALTDHGT LPLRNSIGGV QRVTITDARR DATA SEQUENCE RTCPYVYKAL GIVSPRVLSS RT 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 49 T HA 0.000 nan 4.350 nan 0.000 0.228 49 T C 0.000 174.705 174.700 0.008 0.000 1.109 49 T CA 0.000 62.076 62.100 -0.041 0.000 1.349 49 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 50 G N 1.319 110.133 108.800 0.022 0.000 3.181 50 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.292 50 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.292 50 G C 1.336 176.287 174.900 0.086 0.000 0.965 50 G CA 1.954 47.080 45.100 0.043 0.000 0.846 50 G HN 1.211 nan 8.290 nan 0.000 1.096 51 G N -0.635 108.205 108.800 0.065 0.000 2.939 51 G HA2 0.233 4.193 3.960 -0.001 0.000 0.210 51 G HA3 0.233 4.193 3.960 -0.001 0.000 0.210 51 G C 1.602 176.549 174.900 0.078 0.000 1.160 51 G CA 0.841 45.994 45.100 0.087 0.000 0.770 51 G HN 0.635 nan 8.290 nan 0.000 0.543 52 R N 0.776 121.304 120.500 0.046 0.000 2.323 52 R HA 0.122 4.461 4.340 -0.001 0.000 0.198 52 R C 1.570 177.912 176.300 0.070 0.000 0.988 52 R CA 0.294 56.406 56.100 0.020 0.000 1.041 52 R CB -0.011 30.245 30.300 -0.072 0.000 0.926 52 R HN 0.263 nan 8.270 nan 0.000 0.476 53 N N 1.525 120.302 118.700 0.129 0.000 2.131 53 N HA -0.110 4.629 4.740 -0.001 0.000 0.190 53 N C 0.391 176.036 175.510 0.224 0.000 1.055 53 N CA 1.155 54.345 53.050 0.232 0.000 0.853 53 N CB -0.787 37.869 38.487 0.280 0.000 1.035 53 N HN 0.140 nan 8.380 nan 0.000 0.440 54 S N 0.993 116.581 115.700 -0.186 0.000 4.684 54 S HA -0.207 4.263 4.470 -0.001 0.000 0.558 54 S C 0.065 174.533 174.600 -0.220 0.000 0.881 54 S CA 0.113 58.054 58.200 -0.432 0.000 1.166 54 S CB -1.445 61.590 63.200 -0.275 0.000 2.091 54 S HN 0.282 nan 8.310 nan 0.000 0.346 55 I N 4.518 124.906 120.570 -0.303 0.000 2.354 55 I HA 0.405 4.575 4.170 -0.001 0.000 0.286 55 I C 0.711 176.704 176.117 -0.207 0.000 1.007 55 I CA -0.613 60.513 61.300 -0.290 0.000 1.167 55 I CB 1.181 39.006 38.000 -0.292 0.000 1.320 55 I HN 0.645 nan 8.210 nan 0.000 0.458 56 R N 5.041 125.446 120.500 -0.159 0.000 2.732 56 R HA 0.626 4.966 4.340 -0.001 0.000 0.278 56 R C -1.408 174.899 176.300 0.011 0.000 0.976 56 R CA -0.877 55.178 56.100 -0.076 0.000 0.963 56 R CB 2.621 32.870 30.300 -0.086 0.000 1.150 56 R HN 0.422 nan 8.270 nan 0.000 0.478 57 Y N -0.108 120.133 120.300 -0.099 0.000 2.638 57 Y HA 0.261 4.811 4.550 -0.001 0.000 0.339 57 Y C -0.317 175.542 175.900 -0.069 0.000 1.084 57 Y CA -0.984 57.064 58.100 -0.088 0.000 1.068 57 Y CB 1.990 40.406 38.460 -0.072 0.000 1.294 57 Y HN 0.687 nan 8.280 nan 0.000 0.480 58 S N 2.404 117.476 115.700 -1.046 0.000 2.544 58 S HA 0.027 4.497 4.470 -0.001 0.000 0.290 58 S C 0.530 174.962 174.600 -0.280 0.000 1.276 58 S CA 0.804 58.628 58.200 -0.626 0.000 1.075 58 S CB -0.197 62.556 63.200 -0.744 0.000 0.849 58 S HN 0.890 nan 8.310 nan 0.000 0.494 59 E N 0.926 121.055 120.200 -0.119 0.000 3.340 59 E HA -0.301 4.048 4.350 -0.001 0.000 0.246 59 E C 0.986 177.623 176.600 0.063 0.000 0.762 59 E CA 1.375 57.767 56.400 -0.013 0.000 0.783 59 E CB -1.034 28.667 29.700 0.003 0.000 1.409 59 E HN 0.718 nan 8.360 nan 0.000 0.449 60 L N -0.393 120.919 121.223 0.148 0.000 2.642 60 L HA 0.024 4.364 4.340 -0.001 0.000 0.236 60 L C 0.489 177.437 176.870 0.129 0.000 1.169 60 L CA 1.471 56.432 54.840 0.201 0.000 0.851 60 L CB -0.377 41.900 42.059 0.363 0.000 0.968 60 L HN 0.318 nan 8.230 nan 0.000 0.453 61 A N -2.598 120.279 122.820 0.096 0.000 2.437 61 A HA -0.002 4.318 4.320 -0.001 0.000 0.686 61 A C -2.428 175.194 177.584 0.064 0.000 0.140 61 A CA -0.460 51.624 52.037 0.078 0.000 0.026 61 A CB -2.008 17.042 19.000 0.083 0.000 3.974 61 A HN 0.154 nan 8.150 nan 0.000 0.548 62 P HA 0.593 nan 4.420 nan 0.000 0.276 62 P C -0.819 176.512 177.300 0.052 0.000 1.235 62 P CA -0.165 62.934 63.100 -0.000 0.000 0.772 62 P CB 0.689 32.452 31.700 0.106 0.000 0.871 63 L N 4.327 125.497 121.223 -0.087 0.000 2.346 63 L HA 0.591 4.931 4.340 -0.001 0.000 0.274 63 L C -1.226 175.581 176.870 -0.106 0.000 1.007 63 L CA -0.401 54.455 54.840 0.026 0.000 0.818 63 L CB 0.870 42.920 42.059 -0.014 0.000 1.284 63 L HN 0.182 nan 8.230 nan 0.000 0.424 64 F N 3.061 123.042 119.950 0.050 0.000 2.482 64 F HA 0.561 5.087 4.527 -0.001 0.000 0.331 64 F C -0.035 175.824 175.800 0.099 0.000 1.115 64 F CA -0.534 57.514 58.000 0.080 0.000 0.955 64 F CB 1.294 40.332 39.000 0.063 0.000 1.136 64 F HN 0.565 nan 8.300 nan 0.000 0.452 65 D N -0.524 120.058 120.400 0.303 0.000 9.601 65 D HA -0.224 4.416 4.640 -0.001 0.000 0.351 65 D C 0.043 176.484 176.300 0.235 0.000 2.917 65 D CA 0.511 54.677 54.000 0.277 0.000 2.218 65 D CB -0.411 40.504 40.800 0.192 0.000 1.166 65 D HN 0.614 nan 8.370 nan 0.000 1.105 66 T N -0.630 114.057 114.554 0.222 0.000 2.870 66 T HA 0.239 4.588 4.350 -0.001 0.000 0.311 66 T C 0.424 175.163 174.700 0.065 0.000 1.052 66 T CA 1.795 63.985 62.100 0.149 0.000 1.131 66 T CB 0.201 69.129 68.868 0.100 0.000 1.082 66 T HN 0.584 nan 8.240 nan 0.000 0.511 67 T N 3.478 118.033 114.554 0.002 0.000 2.589 67 T HA 0.623 4.972 4.350 -0.001 0.000 0.261 67 T C -1.650 172.987 174.700 -0.106 0.000 0.936 67 T CA -0.802 61.273 62.100 -0.041 0.000 1.202 67 T CB 0.945 69.777 68.868 -0.061 0.000 1.576 67 T HN 0.669 nan 8.240 nan 0.000 0.464 68 R N 1.050 121.447 120.500 -0.170 0.000 2.522 68 R HA 0.581 4.921 4.340 -0.001 0.000 0.283 68 R C -1.259 174.764 176.300 -0.461 0.000 1.074 68 R CA -0.735 55.159 56.100 -0.344 0.000 0.925 68 R CB 1.977 32.007 30.300 -0.450 0.000 1.205 68 R HN 0.619 nan 8.270 nan 0.000 0.436 69 V N -0.054 119.589 119.914 -0.452 0.000 2.581 69 V HA 0.658 4.778 4.120 -0.001 0.000 0.303 69 V C -1.063 174.784 176.094 -0.412 0.000 1.041 69 V CA -0.814 61.292 62.300 -0.323 0.000 0.907 69 V CB 1.354 33.067 31.823 -0.184 0.000 0.994 69 V HN 0.596 nan 8.190 nan 0.000 0.442 70 Y N 3.584 123.861 120.300 -0.038 0.000 2.341 70 Y HA 0.667 5.216 4.550 -0.000 0.000 0.338 70 Y C -0.021 175.880 175.900 0.003 0.000 0.965 70 Y CA -0.896 57.194 58.100 -0.018 0.000 1.108 70 Y CB 1.972 40.426 38.460 -0.011 0.000 1.180 70 Y HN 0.543 nan 8.280 nan 0.000 0.458 71 L N 5.849 127.172 121.223 0.167 0.000 2.272 71 L HA 0.576 4.916 4.340 -0.001 0.000 0.284 71 L C -0.595 176.405 176.870 0.217 0.000 1.045 71 L CA -0.854 54.072 54.840 0.144 0.000 0.842 71 L CB 0.346 42.455 42.059 0.083 0.000 1.224 71 L HN 0.488 nan 8.230 nan 0.000 0.430 72 V N -0.374 119.677 119.914 0.228 0.000 2.789 72 V HA 0.485 4.605 4.120 -0.001 0.000 0.311 72 V C 0.146 176.390 176.094 0.250 0.000 1.073 72 V CA -0.660 61.761 62.300 0.203 0.000 0.921 72 V CB 2.122 33.998 31.823 0.088 0.000 1.009 72 V HN 0.630 nan 8.190 nan 0.000 0.426 73 D N 3.549 124.004 120.400 0.091 0.000 2.202 73 D HA -0.124 4.516 4.640 -0.001 0.000 0.214 73 D C 1.332 177.602 176.300 -0.049 0.000 0.967 73 D CA 1.575 55.503 54.000 -0.121 0.000 0.871 73 D CB -0.669 39.705 40.800 -0.710 0.000 1.020 73 D HN 0.748 nan 8.370 nan 0.000 0.474 74 N N 1.191 119.841 118.700 -0.083 0.000 2.651 74 N HA -0.195 4.545 4.740 -0.001 0.000 0.193 74 N C 0.329 175.839 175.510 -0.000 0.000 1.149 74 N CA 0.306 53.332 53.050 -0.040 0.000 0.933 74 N CB -0.735 37.707 38.487 -0.074 0.000 0.974 74 N HN 0.234 nan 8.380 nan 0.000 0.448 75 K N 1.088 121.502 120.400 0.023 0.000 2.402 75 K HA 0.038 4.358 4.320 -0.001 0.000 0.285 75 K C 0.829 177.454 176.600 0.042 0.000 1.054 75 K CA 0.094 56.401 56.287 0.032 0.000 1.001 75 K CB 0.478 33.010 32.500 0.053 0.000 0.946 75 K HN 0.279 nan 8.250 nan 0.000 0.473 76 S N 2.072 117.790 115.700 0.031 0.000 2.365 76 S HA -0.253 4.216 4.470 -0.001 0.000 0.225 76 S C 1.974 176.601 174.600 0.045 0.000 1.039 76 S CA 2.041 60.263 58.200 0.035 0.000 1.033 76 S CB -0.886 62.329 63.200 0.025 0.000 0.887 76 S HN 0.860 nan 8.310 nan 0.000 0.447 77 T N 0.594 115.174 114.554 0.043 0.000 2.788 77 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 77 T C 1.378 176.114 174.700 0.061 0.000 1.044 77 T CA 1.509 63.638 62.100 0.048 0.000 1.139 77 T CB -0.753 68.143 68.868 0.046 0.000 0.867 77 T HN 0.279 nan 8.240 nan 0.000 0.454 78 D N 1.469 121.911 120.400 0.071 0.000 2.087 78 D HA -0.067 4.573 4.640 -0.001 0.000 0.192 78 D C 2.448 178.809 176.300 0.101 0.000 0.993 78 D CA 1.209 55.263 54.000 0.090 0.000 0.828 78 D CB -0.907 39.959 40.800 0.111 0.000 0.968 78 D HN 0.306 nan 8.370 nan 0.000 0.448 79 V N 2.104 122.076 119.914 0.098 0.000 2.225 79 V HA -0.375 3.744 4.120 -0.001 0.000 0.252 79 V C 2.637 178.817 176.094 0.143 0.000 1.055 79 V CA 2.723 65.086 62.300 0.105 0.000 1.032 79 V CB -1.268 30.602 31.823 0.077 0.000 0.655 79 V HN 0.286 nan 8.190 nan 0.000 0.458 80 A N 0.360 123.256 122.820 0.126 0.000 1.929 80 A HA -0.327 3.993 4.320 -0.001 0.000 0.221 80 A C 2.427 180.063 177.584 0.088 0.000 1.211 80 A CA 3.637 55.750 52.037 0.127 0.000 0.657 80 A CB -0.909 18.134 19.000 0.071 0.000 0.827 80 A HN 0.856 nan 8.150 nan 0.000 0.462 81 S N -1.736 114.007 115.700 0.072 0.000 2.456 81 S HA 0.262 4.732 4.470 -0.001 0.000 0.224 81 S C 1.665 176.305 174.600 0.067 0.000 1.035 81 S CA 0.878 59.106 58.200 0.047 0.000 0.940 81 S CB -0.254 62.971 63.200 0.040 0.000 0.799 81 S HN 0.433 nan 8.310 nan 0.000 0.508 82 L N 1.130 122.413 121.223 0.099 0.000 2.590 82 L HA 0.290 4.630 4.340 -0.001 0.000 0.181 82 L C 0.308 177.260 176.870 0.136 0.000 1.134 82 L CA 0.245 55.148 54.840 0.105 0.000 0.850 82 L CB -0.510 41.610 42.059 0.101 0.000 1.172 82 L HN 0.239 nan 8.230 nan 0.000 0.498 83 N N -0.206 118.588 118.700 0.156 0.000 2.802 83 N HA -0.044 4.696 4.740 -0.001 0.000 0.288 83 N C 0.644 176.241 175.510 0.145 0.000 1.268 83 N CA -0.220 52.925 53.050 0.158 0.000 1.035 83 N CB -0.483 38.122 38.487 0.196 0.000 1.353 83 N HN 0.251 nan 8.380 nan 0.000 0.522 84 Y N 1.192 121.511 120.300 0.030 0.000 2.114 84 Y HA -0.129 4.420 4.550 -0.001 0.000 0.284 84 Y C 1.963 177.862 175.900 -0.002 0.000 1.143 84 Y CA 1.797 59.902 58.100 0.009 0.000 1.135 84 Y CB 0.151 38.617 38.460 0.010 0.000 0.980 84 Y HN 0.275 nan 8.280 nan 0.000 0.499 85 Q N 0.499 120.386 119.800 0.144 0.000 2.482 85 Q HA -0.029 4.311 4.340 -0.001 0.000 0.209 85 Q C -0.177 175.820 176.000 -0.005 0.000 0.961 85 Q CA -0.092 55.735 55.803 0.040 0.000 0.945 85 Q CB 0.033 28.834 28.738 0.104 0.000 1.012 85 Q HN 0.475 nan 8.270 nan 0.000 0.515 86 N N 1.018 119.725 118.700 0.012 0.000 2.538 86 N HA 0.151 4.890 4.740 -0.001 0.000 0.292 86 N C -0.637 174.843 175.510 -0.051 0.000 1.262 86 N CA -0.111 52.951 53.050 0.020 0.000 0.976 86 N CB 0.810 39.359 38.487 0.104 0.000 1.161 86 N HN 0.090 nan 8.380 nan 0.000 0.598 87 D N -1.820 118.565 120.400 -0.026 0.000 2.559 87 D HA 0.186 4.826 4.640 -0.001 0.000 0.250 87 D C 0.437 176.717 176.300 -0.033 0.000 1.135 87 D CA -0.352 53.573 54.000 -0.126 0.000 0.955 87 D CB 0.405 41.126 40.800 -0.133 0.000 1.442 87 D HN 0.301 nan 8.370 nan 0.000 0.471 88 H N -0.141 118.858 119.070 -0.119 0.000 2.520 88 H HA -0.089 4.467 4.556 -0.001 0.000 0.295 88 H C 1.361 176.686 175.328 -0.005 0.000 1.096 88 H CA 1.446 57.372 56.048 -0.203 0.000 1.249 88 H CB -0.039 29.597 29.762 -0.210 0.000 1.365 88 H HN 0.362 nan 8.280 nan 0.000 0.556 89 S N -0.161 115.638 115.700 0.165 0.000 2.577 89 S HA 0.014 4.484 4.470 -0.001 0.000 0.219 89 S C 0.161 174.888 174.600 0.211 0.000 0.962 89 S CA -0.114 58.172 58.200 0.143 0.000 0.921 89 S CB -0.229 62.994 63.200 0.039 0.000 0.789 89 S HN 0.540 nan 8.310 nan 0.000 0.497 90 N N 0.701 119.603 118.700 0.338 0.000 3.357 90 N HA 0.228 4.968 4.740 -0.001 0.000 0.206 90 N C -0.919 174.799 175.510 0.347 0.000 1.458 90 N CA -0.600 52.613 53.050 0.272 0.000 0.776 90 N CB -0.151 38.434 38.487 0.165 0.000 1.626 90 N HN 0.251 nan 8.380 nan 0.000 0.644 91 F N 0.148 120.155 119.950 0.094 0.000 2.691 91 F HA 0.780 5.307 4.527 -0.000 0.000 0.334 91 F C -1.215 174.636 175.800 0.085 0.000 1.107 91 F CA -1.239 56.813 58.000 0.087 0.000 0.991 91 F CB 1.345 40.404 39.000 0.098 0.000 1.400 91 F HN -0.048 nan 8.300 nan 0.000 0.503 92 L N 0.930 122.270 121.223 0.196 0.000 2.342 92 L HA 0.732 5.072 4.340 -0.001 0.000 0.271 92 L C -0.776 176.187 176.870 0.156 0.000 1.008 92 L CA -0.663 54.211 54.840 0.056 0.000 0.818 92 L CB 2.290 44.397 42.059 0.080 0.000 1.296 92 L HN 0.780 nan 8.230 nan 0.000 0.427 93 T N -0.394 114.199 114.554 0.064 0.000 2.909 93 T HA 0.255 4.605 4.350 -0.001 0.000 0.299 93 T C -0.521 174.220 174.700 0.068 0.000 1.073 93 T CA -0.438 61.736 62.100 0.123 0.000 0.999 93 T CB 2.165 71.115 68.868 0.136 0.000 1.098 93 T HN 0.531 nan 8.240 nan 0.000 0.477 94 T N 1.356 115.957 114.554 0.080 0.000 2.743 94 T HA 0.313 4.663 4.350 -0.001 0.000 0.293 94 T C 0.946 175.679 174.700 0.054 0.000 0.945 94 T CA -0.322 61.812 62.100 0.057 0.000 1.030 94 T CB 0.764 69.670 68.868 0.064 0.000 0.912 94 T HN 0.427 nan 8.240 nan 0.000 0.483 95 V N 6.898 126.832 119.914 0.033 0.000 3.406 95 V HA 0.300 4.419 4.120 -0.001 0.000 0.263 95 V C 0.634 176.737 176.094 0.014 0.000 1.172 95 V CA 0.306 62.623 62.300 0.029 0.000 1.140 95 V CB -0.181 31.640 31.823 -0.002 0.000 0.784 95 V HN 0.754 nan 8.190 nan 0.000 0.467 96 I N 2.182 122.760 120.570 0.013 0.000 2.406 96 I HA 0.207 4.377 4.170 -0.001 0.000 0.293 96 I C 0.667 176.786 176.117 0.004 0.000 1.101 96 I CA 0.433 61.726 61.300 -0.012 0.000 1.334 96 I CB 0.834 38.862 38.000 0.046 0.000 1.421 96 I HN 0.374 nan 8.210 nan 0.000 0.513 97 Q N 5.013 124.795 119.800 -0.029 0.000 2.297 97 Q HA 0.131 4.471 4.340 -0.001 0.000 0.265 97 Q C 0.240 176.240 176.000 -0.000 0.000 0.904 97 Q CA -0.040 55.761 55.803 -0.002 0.000 0.969 97 Q CB -0.333 28.407 28.738 0.003 0.000 1.115 97 Q HN 0.544 nan 8.270 nan 0.000 0.433 98 N N 1.132 119.858 118.700 0.042 0.000 2.457 98 N HA 0.018 4.758 4.740 -0.001 0.000 0.250 98 N C 0.916 176.509 175.510 0.139 0.000 0.982 98 N CA -0.153 52.962 53.050 0.109 0.000 0.941 98 N CB 0.592 39.226 38.487 0.245 0.000 1.120 98 N HN -0.037 nan 8.380 nan 0.000 0.505 99 N N 3.313 122.053 118.700 0.067 0.000 2.182 99 N HA -0.234 4.506 4.740 -0.001 0.000 0.192 99 N C 0.223 175.734 175.510 0.002 0.000 1.007 99 N CA 1.703 54.772 53.050 0.031 0.000 0.873 99 N CB 0.065 38.557 38.487 0.008 0.000 0.998 99 N HN 0.610 nan 8.380 nan 0.000 0.436 100 D N -1.760 118.613 120.400 -0.045 0.000 2.340 100 D HA -0.040 4.600 4.640 -0.001 0.000 0.220 100 D C -0.275 175.789 176.300 -0.394 0.000 1.039 100 D CA 0.315 54.163 54.000 -0.253 0.000 0.866 100 D CB -0.001 40.535 40.800 -0.441 0.000 0.913 100 D HN 0.366 nan 8.370 nan 0.000 0.523 101 Y N 0.838 121.163 120.300 0.041 0.000 2.509 101 Y HA 0.238 4.788 4.550 -0.001 0.000 0.341 101 Y C 0.985 176.905 175.900 0.032 0.000 1.038 101 Y CA -1.087 57.037 58.100 0.039 0.000 1.089 101 Y CB 1.302 39.795 38.460 0.055 0.000 1.241 101 Y HN -0.286 nan 8.280 nan 0.000 0.468 102 S N 2.540 118.356 115.700 0.193 0.000 2.572 102 S HA 0.016 4.486 4.470 -0.001 0.000 0.267 102 S C -1.937 172.732 174.600 0.116 0.000 1.361 102 S CA -0.773 57.495 58.200 0.114 0.000 1.009 102 S CB 0.418 63.671 63.200 0.088 0.000 0.888 102 S HN 0.513 nan 8.310 nan 0.000 0.553 103 P HA 0.065 nan 4.420 nan 0.000 0.217 103 P C 1.753 179.090 177.300 0.063 0.000 1.154 103 P CA 0.997 64.141 63.100 0.074 0.000 0.841 103 P CB -0.326 31.413 31.700 0.064 0.000 0.788 104 G N 0.474 109.306 108.800 0.054 0.000 2.514 104 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.217 104 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.217 104 G C 1.624 176.548 174.900 0.041 0.000 1.198 104 G CA 1.194 46.319 45.100 0.041 0.000 0.780 104 G HN 0.296 nan 8.290 nan 0.000 0.565 105 E N 0.508 120.744 120.200 0.060 0.000 2.114 105 E HA -0.162 4.188 4.350 -0.001 0.000 0.199 105 E C 2.723 179.332 176.600 0.016 0.000 1.008 105 E CA 1.459 57.895 56.400 0.060 0.000 0.810 105 E CB -0.371 29.412 29.700 0.137 0.000 0.739 105 E HN 0.361 nan 8.360 nan 0.000 0.456 106 A N 0.741 123.586 122.820 0.042 0.000 1.908 106 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 106 A C 2.322 179.899 177.584 -0.011 0.000 1.181 106 A CA 2.070 54.108 52.037 0.002 0.000 0.627 106 A CB -1.018 18.020 19.000 0.064 0.000 0.818 106 A HN 0.479 nan 8.150 nan 0.000 0.445 107 S N -0.929 114.775 115.700 0.007 0.000 2.488 107 S HA -0.142 4.328 4.470 -0.001 0.000 0.246 107 S C 1.542 176.131 174.600 -0.019 0.000 0.992 107 S CA 1.968 60.168 58.200 0.000 0.000 0.963 107 S CB -0.863 62.342 63.200 0.010 0.000 0.754 107 S HN 0.536 nan 8.310 nan 0.000 0.519 108 T N 1.928 116.461 114.554 -0.036 0.000 2.837 108 T HA 0.082 4.431 4.350 -0.001 0.000 0.248 108 T C 0.772 175.425 174.700 -0.079 0.000 1.033 108 T CA 0.376 62.444 62.100 -0.053 0.000 1.150 108 T CB -0.231 68.602 68.868 -0.059 0.000 0.865 108 T HN 0.618 nan 8.240 nan 0.000 0.425 109 Q N 1.959 121.688 119.800 -0.118 0.000 2.539 109 Q HA 0.286 4.626 4.340 -0.001 0.000 0.268 109 Q C -0.001 175.954 176.000 -0.076 0.000 1.109 109 Q CA 0.303 56.014 55.803 -0.155 0.000 0.968 109 Q CB 0.009 28.614 28.738 -0.222 0.000 1.309 109 Q HN 0.492 nan 8.270 nan 0.000 0.497 110 T N -2.842 111.664 114.554 -0.079 0.000 2.923 110 T HA 0.599 4.949 4.350 -0.001 0.000 0.311 110 T C -0.548 174.162 174.700 0.017 0.000 1.183 110 T CA -0.876 61.206 62.100 -0.029 0.000 1.020 110 T CB 0.788 69.618 68.868 -0.062 0.000 1.165 110 T HN 0.447 nan 8.240 nan 0.000 0.482 111 I N 2.887 123.464 120.570 0.011 0.000 2.342 111 I HA 0.310 4.479 4.170 -0.001 0.000 0.291 111 I C -0.123 175.934 176.117 -0.100 0.000 1.010 111 I CA -0.827 60.466 61.300 -0.011 0.000 1.308 111 I CB 0.765 38.723 38.000 -0.070 0.000 1.400 111 I HN 0.569 nan 8.210 nan 0.000 0.488 112 N N 8.182 126.808 118.700 -0.122 0.000 2.511 112 N HA 0.390 5.129 4.740 -0.001 0.000 0.249 112 N C -0.604 174.743 175.510 -0.271 0.000 0.971 112 N CA -0.448 52.502 53.050 -0.165 0.000 0.938 112 N CB 1.864 40.280 38.487 -0.118 0.000 1.131 112 N HN 0.428 nan 8.380 nan 0.000 0.505 113 L N 0.751 121.725 121.223 -0.414 0.000 2.426 113 L HA 0.122 4.462 4.340 -0.001 0.000 0.271 113 L C 1.155 177.829 176.870 -0.327 0.000 1.169 113 L CA -0.370 53.987 54.840 -0.806 0.000 0.836 113 L CB 0.530 41.730 42.059 -1.432 0.000 1.112 113 L HN 0.350 nan 8.230 nan 0.000 0.465 114 D N 1.899 122.299 120.400 0.002 0.000 2.525 114 D HA -0.154 4.486 4.640 -0.001 0.000 0.235 114 D C 0.669 177.138 176.300 0.282 0.000 1.137 114 D CA 0.286 54.421 54.000 0.226 0.000 0.868 114 D CB 0.955 41.941 40.800 0.311 0.000 1.180 114 D HN 0.548 nan 8.370 nan 0.000 0.465 115 D N 3.074 123.538 120.400 0.107 0.000 2.144 115 D HA -0.119 4.520 4.640 -0.001 0.000 0.200 115 D C 1.569 177.884 176.300 0.024 0.000 0.978 115 D CA 0.746 54.779 54.000 0.055 0.000 0.833 115 D CB 0.258 41.064 40.800 0.010 0.000 0.961 115 D HN 0.481 nan 8.370 nan 0.000 0.470 116 R N -0.105 120.408 120.500 0.023 0.000 2.328 116 R HA 0.056 4.396 4.340 -0.001 0.000 0.207 116 R C 0.452 176.694 176.300 -0.096 0.000 1.056 116 R CA 0.273 56.352 56.100 -0.033 0.000 1.016 116 R CB 0.192 30.483 30.300 -0.016 0.000 0.872 116 R HN -0.064 nan 8.270 nan 0.000 0.471 117 S N -0.336 115.310 115.700 -0.090 0.000 2.570 117 S HA 0.308 4.777 4.470 -0.001 0.000 0.286 117 S C -0.899 173.561 174.600 -0.234 0.000 1.099 117 S CA -0.865 57.190 58.200 -0.243 0.000 0.913 117 S CB 1.908 64.853 63.200 -0.425 0.000 1.085 117 S HN 0.144 nan 8.310 nan 0.000 0.480 118 H N 0.759 119.756 119.070 -0.122 0.000 2.690 118 H HA 0.193 4.749 4.556 -0.001 0.000 0.314 118 H C -0.924 174.349 175.328 -0.093 0.000 1.069 118 H CA 0.146 56.181 56.048 -0.022 0.000 1.436 118 H CB 0.426 30.170 29.762 -0.030 0.000 1.462 118 H HN 0.513 nan 8.280 nan 0.000 0.511 119 W N 1.310 122.651 121.300 0.068 0.000 2.485 119 W HA 0.527 5.187 4.660 -0.000 0.000 0.364 119 W C 0.509 177.036 176.519 0.013 0.000 1.171 119 W CA -0.452 56.906 57.345 0.023 0.000 1.304 119 W CB 1.439 30.892 29.460 -0.010 0.000 1.335 119 W HN 0.654 nan 8.180 nan 0.000 0.643 120 G N -0.550 108.423 108.800 0.288 0.000 2.690 120 G HA2 0.641 4.600 3.960 -0.001 0.000 0.293 120 G HA3 0.641 4.600 3.960 -0.001 0.000 0.293 120 G C -1.481 173.501 174.900 0.136 0.000 1.399 120 G CA -0.695 44.492 45.100 0.146 0.000 0.890 120 G HN 0.706 nan 8.290 nan 0.000 0.485 121 G N -0.310 108.526 108.800 0.059 0.000 2.612 121 G HA2 0.580 4.539 3.960 -0.001 0.000 0.298 121 G HA3 0.580 4.539 3.960 -0.001 0.000 0.298 121 G C -1.587 173.310 174.900 -0.005 0.000 1.336 121 G CA -0.623 44.491 45.100 0.025 0.000 0.953 121 G HN 0.398 nan 8.290 nan 0.000 0.482 122 D N 0.598 120.987 120.400 -0.018 0.000 2.232 122 D HA 0.303 4.942 4.640 -0.001 0.000 0.242 122 D C -0.567 175.704 176.300 -0.048 0.000 1.093 122 D CA -0.189 53.795 54.000 -0.027 0.000 0.845 122 D CB 2.647 43.432 40.800 -0.024 0.000 1.124 122 D HN 0.184 nan 8.370 nan 0.000 0.467 123 L N 2.838 124.036 121.223 -0.042 0.000 2.277 123 L HA 0.299 4.639 4.340 -0.001 0.000 0.284 123 L C -0.472 176.376 176.870 -0.035 0.000 1.028 123 L CA -0.305 54.499 54.840 -0.061 0.000 0.835 123 L CB 0.397 42.404 42.059 -0.087 0.000 1.215 123 L HN 0.114 nan 8.230 nan 0.000 0.425 124 K N 2.891 123.250 120.400 -0.068 0.000 2.156 124 K HA 0.723 5.042 4.320 -0.001 0.000 0.254 124 K C -0.608 175.933 176.600 -0.097 0.000 0.950 124 K CA -0.710 55.530 56.287 -0.079 0.000 0.849 124 K CB 2.043 34.508 32.500 -0.059 0.000 1.100 124 K HN 0.577 nan 8.250 nan 0.000 0.434 125 T N 1.482 115.973 114.554 -0.106 0.000 2.900 125 T HA 0.547 4.897 4.350 -0.001 0.000 0.303 125 T C -1.491 173.234 174.700 0.042 0.000 1.142 125 T CA -0.714 61.323 62.100 -0.106 0.000 1.007 125 T CB 0.786 69.394 68.868 -0.435 0.000 1.156 125 T HN 0.428 nan 8.240 nan 0.000 0.490 126 I N 4.239 124.884 120.570 0.125 0.000 2.420 126 I HA 0.449 4.619 4.170 -0.001 0.000 0.282 126 I C -1.092 175.183 176.117 0.264 0.000 1.019 126 I CA -0.874 60.519 61.300 0.155 0.000 1.130 126 I CB 1.550 39.602 38.000 0.087 0.000 1.262 126 I HN 0.358 nan 8.210 nan 0.000 0.454 127 L N 7.128 128.537 121.223 0.310 0.000 2.329 127 L HA 0.576 4.916 4.340 -0.001 0.000 0.279 127 L C -1.086 175.941 176.870 0.261 0.000 1.014 127 L CA -0.219 54.811 54.840 0.316 0.000 0.814 127 L CB 1.239 43.524 42.059 0.377 0.000 1.257 127 L HN 0.479 nan 8.230 nan 0.000 0.424 128 H N 2.220 121.339 119.070 0.082 0.000 3.018 128 H HA 0.635 5.191 4.556 -0.001 0.000 0.334 128 H C -0.618 174.776 175.328 0.109 0.000 0.983 128 H CA 0.111 56.212 56.048 0.088 0.000 1.363 128 H CB 1.245 31.075 29.762 0.112 0.000 1.668 128 H HN 0.838 nan 8.280 nan 0.000 0.513 129 T N 1.071 115.449 114.554 -0.294 0.000 2.780 129 T HA 0.361 4.710 4.350 -0.001 0.000 0.263 129 T C 0.236 174.724 174.700 -0.354 0.000 0.993 129 T CA -0.381 61.586 62.100 -0.221 0.000 1.010 129 T CB 0.953 69.774 68.868 -0.078 0.000 1.642 129 T HN 0.673 nan 8.240 nan 0.000 0.587 130 N N -1.437 117.174 118.700 -0.148 0.000 2.405 130 N HA 0.021 4.761 4.740 -0.001 0.000 0.221 130 N C -0.453 175.015 175.510 -0.071 0.000 1.386 130 N CA -0.434 52.540 53.050 -0.126 0.000 1.332 130 N CB -1.175 37.245 38.487 -0.111 0.000 1.256 130 N HN 0.800 nan 8.380 nan 0.000 0.587 131 M N 1.312 120.828 119.600 -0.140 0.000 2.249 131 M HA 0.287 4.767 4.480 -0.001 0.000 0.340 131 M C -2.327 173.732 176.300 -0.403 0.000 1.166 131 M CA -0.407 54.590 55.300 -0.505 0.000 1.115 131 M CB 0.663 32.928 32.600 -0.559 0.000 1.606 131 M HN -0.034 nan 8.290 nan 0.000 0.448 132 P HA 0.286 nan 4.420 nan 0.000 0.280 132 P C -0.458 176.664 177.300 -0.296 0.000 1.272 132 P CA -0.486 62.426 63.100 -0.313 0.000 0.819 132 P CB 0.573 32.106 31.700 -0.278 0.000 1.122 133 N N 0.416 118.964 118.700 -0.253 0.000 1.997 133 N HA -0.118 4.621 4.740 -0.001 0.000 0.198 133 N C 0.037 175.442 175.510 -0.175 0.000 1.063 133 N CA 1.608 54.541 53.050 -0.194 0.000 0.860 133 N CB -0.753 37.616 38.487 -0.196 0.000 1.063 133 N HN 0.289 nan 8.380 nan 0.000 0.424 134 V N -0.710 119.066 119.914 -0.229 0.000 2.532 134 V HA 0.711 4.831 4.120 -0.001 0.000 0.295 134 V C -0.648 175.381 176.094 -0.107 0.000 1.041 134 V CA -0.748 61.488 62.300 -0.108 0.000 0.926 134 V CB 1.088 32.906 31.823 -0.008 0.000 0.992 134 V HN 0.725 nan 8.190 nan 0.000 0.457 135 N N 0.884 119.569 118.700 -0.024 0.000 3.545 135 N HA 0.188 4.928 4.740 -0.001 0.000 0.227 135 N C -1.279 174.258 175.510 0.044 0.000 1.380 135 N CA -0.468 52.589 53.050 0.012 0.000 0.892 135 N CB 1.447 39.925 38.487 -0.015 0.000 1.441 135 N HN 0.945 nan 8.380 nan 0.000 0.497 136 E N 0.662 120.897 120.200 0.058 0.000 1.996 136 E HA 0.416 4.765 4.350 -0.001 0.000 0.280 136 E C -1.112 175.513 176.600 0.042 0.000 1.092 136 E CA -0.324 56.068 56.400 -0.014 0.000 0.862 136 E CB 0.052 29.753 29.700 0.002 0.000 1.066 136 E HN 0.611 nan 8.360 nan 0.000 0.396 137 F N 3.463 123.196 119.950 -0.362 0.000 1.649 137 F HA -0.072 4.455 4.527 -0.001 0.000 0.334 137 F C 0.119 175.684 175.800 -0.393 0.000 1.185 137 F CA -0.083 57.721 58.000 -0.326 0.000 1.231 137 F CB -0.086 38.921 39.000 0.011 0.000 1.896 137 F HN 0.422 nan 8.300 nan 0.000 0.163 138 M N 1.304 120.913 119.600 0.016 0.000 2.495 138 M HA 0.295 4.774 4.480 -0.001 0.000 0.237 138 M C -0.359 176.110 176.300 0.283 0.000 1.131 138 M CA 0.266 55.650 55.300 0.139 0.000 1.032 138 M CB -1.496 31.193 32.600 0.147 0.000 1.513 138 M HN 0.317 nan 8.290 nan 0.000 0.488 139 F N 0.741 120.727 119.950 0.061 0.000 2.807 139 F HA -0.242 4.285 4.527 -0.001 0.000 0.297 139 F C 0.867 176.729 175.800 0.103 0.000 1.024 139 F CA 0.908 58.955 58.000 0.079 0.000 1.008 139 F CB -2.643 36.398 39.000 0.069 0.000 1.142 139 F HN 0.287 nan 8.300 nan 0.000 0.829 140 T N -3.972 110.700 114.554 0.198 0.000 3.275 140 T HA 0.182 4.531 4.350 -0.001 0.000 0.298 140 T C 0.863 175.668 174.700 0.174 0.000 0.988 140 T CA 0.256 62.458 62.100 0.170 0.000 0.936 140 T CB 0.106 69.029 68.868 0.091 0.000 1.159 140 T HN 0.484 nan 8.240 nan 0.000 0.519 141 N N 0.793 119.606 118.700 0.187 0.000 2.197 141 N HA 0.212 4.952 4.740 -0.001 0.000 0.228 141 N C -0.301 175.352 175.510 0.238 0.000 1.212 141 N CA -0.494 52.675 53.050 0.197 0.000 0.883 141 N CB 0.646 39.215 38.487 0.136 0.000 1.107 141 N HN 0.340 nan 8.380 nan 0.000 0.519 142 K N 0.427 120.998 120.400 0.285 0.000 2.482 142 K HA 0.511 4.831 4.320 -0.001 0.000 0.257 142 K C -1.690 175.151 176.600 0.403 0.000 0.969 142 K CA -0.790 55.657 56.287 0.268 0.000 0.842 142 K CB 2.300 34.915 32.500 0.191 0.000 1.359 142 K HN 0.114 nan 8.250 nan 0.000 0.441 143 F N -1.182 118.867 119.950 0.164 0.000 2.656 143 F HA 0.357 4.883 4.527 -0.001 0.000 0.326 143 F C -1.664 174.198 175.800 0.103 0.000 1.109 143 F CA -1.049 56.994 58.000 0.072 0.000 1.086 143 F CB 0.787 39.793 39.000 0.010 0.000 1.324 143 F HN 0.195 nan 8.300 nan 0.000 0.511 144 K N 3.288 123.715 120.400 0.046 0.000 2.205 144 K HA 0.846 5.166 4.320 -0.001 0.000 0.279 144 K C -0.520 176.244 176.600 0.274 0.000 1.027 144 K CA -0.488 55.829 56.287 0.051 0.000 0.932 144 K CB 1.698 34.218 32.500 0.035 0.000 1.032 144 K HN 0.878 nan 8.250 nan 0.000 0.466 145 A N 2.789 125.828 122.820 0.366 0.000 2.539 145 A HA 0.544 4.864 4.320 -0.001 0.000 0.296 145 A C -1.273 176.419 177.584 0.180 0.000 1.073 145 A CA -0.834 51.455 52.037 0.420 0.000 0.700 145 A CB 1.462 20.794 19.000 0.553 0.000 1.296 145 A HN 0.787 nan 8.150 nan 0.000 0.405 146 R N 0.887 121.192 120.500 -0.325 0.000 2.295 146 R HA 0.635 4.975 4.340 -0.001 0.000 0.324 146 R C -0.746 175.294 176.300 -0.435 0.000 0.968 146 R CA -0.297 55.334 56.100 -0.782 0.000 0.837 146 R CB 1.008 30.197 30.300 -1.851 0.000 1.133 146 R HN 1.002 nan 8.270 nan 0.000 0.450 147 V N 1.261 121.031 119.914 -0.240 0.000 3.155 147 V HA 0.560 4.680 4.120 -0.001 0.000 0.313 147 V C -0.053 176.110 176.094 0.115 0.000 1.162 147 V CA -1.395 60.847 62.300 -0.096 0.000 1.048 147 V CB 1.878 33.711 31.823 0.016 0.000 1.092 147 V HN 0.859 nan 8.190 nan 0.000 0.447 148 M N 1.170 120.916 119.600 0.244 0.000 2.217 148 M HA 0.443 4.923 4.480 -0.001 0.000 0.354 148 M C 0.070 176.530 176.300 0.267 0.000 1.225 148 M CA 0.122 55.678 55.300 0.426 0.000 1.137 148 M CB 1.466 34.283 32.600 0.361 0.000 1.576 148 M HN 0.749 nan 8.290 nan 0.000 0.461 149 V N 2.954 122.972 119.914 0.173 0.000 3.451 149 V HA 0.332 4.451 4.120 -0.001 0.000 0.288 149 V C -0.412 175.717 176.094 0.057 0.000 1.502 149 V CA 0.619 63.012 62.300 0.155 0.000 1.026 149 V CB 1.019 32.934 31.823 0.153 0.000 0.840 149 V HN 0.875 nan 8.190 nan 0.000 0.437 150 S N 0.662 116.361 115.700 -0.001 0.000 2.548 150 S HA 0.617 5.087 4.470 -0.001 0.000 0.278 150 S C -1.154 173.406 174.600 -0.068 0.000 1.150 150 S CA -0.678 57.503 58.200 -0.032 0.000 0.907 150 S CB 1.627 64.801 63.200 -0.044 0.000 1.108 150 S HN 0.430 nan 8.310 nan 0.000 0.459 151 R N 2.564 123.042 120.500 -0.037 0.000 2.539 151 R HA 0.562 4.902 4.340 -0.001 0.000 0.295 151 R C -1.461 174.823 176.300 -0.026 0.000 1.138 151 R CA -0.147 55.928 56.100 -0.041 0.000 0.936 151 R CB 1.090 31.384 30.300 -0.010 0.000 1.182 151 R HN 0.800 nan 8.270 nan 0.000 0.459 152 S N 3.235 118.914 115.700 -0.035 0.000 2.546 152 S HA 0.381 4.850 4.470 -0.001 0.000 0.274 152 S C -0.490 174.096 174.600 -0.023 0.000 1.121 152 S CA -0.934 57.252 58.200 -0.024 0.000 0.887 152 S CB 1.688 64.874 63.200 -0.024 0.000 1.094 152 S HN 0.555 nan 8.310 nan 0.000 0.474 153 L N 3.290 124.504 121.223 -0.015 0.000 2.536 153 L HA 0.210 4.550 4.340 -0.001 0.000 0.282 153 L C 0.420 177.283 176.870 -0.013 0.000 1.174 153 L CA 0.027 54.860 54.840 -0.012 0.000 0.989 153 L CB -0.281 41.774 42.059 -0.007 0.000 1.311 153 L HN 0.881 nan 8.230 nan 0.000 0.455 154 T N 3.313 117.857 114.554 -0.016 0.000 2.854 154 T HA -0.124 4.225 4.350 -0.001 0.000 0.336 154 T C 1.503 176.197 174.700 -0.010 0.000 1.095 154 T CA -0.042 62.049 62.100 -0.015 0.000 1.118 154 T CB 0.510 69.369 68.868 -0.016 0.000 1.025 154 T HN 0.580 nan 8.240 nan 0.000 0.549 155 K N 1.154 121.549 120.400 -0.009 0.000 2.184 155 K HA -0.242 4.077 4.320 -0.001 0.000 0.210 155 K C 1.334 177.931 176.600 -0.005 0.000 1.048 155 K CA 2.055 58.338 56.287 -0.006 0.000 0.931 155 K CB -0.099 32.398 32.500 -0.006 0.000 0.718 155 K HN 0.548 nan 8.250 nan 0.000 0.465 156 D N -0.696 119.702 120.400 -0.004 0.000 2.394 156 D HA 0.046 4.685 4.640 -0.001 0.000 0.237 156 D C 1.230 177.528 176.300 -0.003 0.000 1.028 156 D CA 0.954 54.952 54.000 -0.003 0.000 0.937 156 D CB 0.273 41.071 40.800 -0.002 0.000 1.072 156 D HN 0.063 nan 8.370 nan 0.000 0.457 157 K N -1.376 119.023 120.400 -0.003 0.000 2.191 157 K HA 0.095 4.414 4.320 -0.001 0.000 0.154 157 K C 0.035 176.634 176.600 -0.003 0.000 1.928 157 K CA -0.039 56.247 56.287 -0.003 0.000 1.002 157 K CB 1.077 33.577 32.500 -0.001 0.000 1.876 157 K HN -0.014 nan 8.250 nan 0.000 0.477 158 Q N 1.058 120.856 119.800 -0.004 0.000 2.237 158 Q HA 0.425 4.764 4.340 -0.001 0.000 0.219 158 Q C -0.072 175.923 176.000 -0.009 0.000 0.999 158 Q CA -0.531 55.269 55.803 -0.004 0.000 0.959 158 Q CB 1.778 30.514 28.738 -0.003 0.000 1.173 158 Q HN 0.071 nan 8.270 nan 0.000 0.527 159 V N -2.689 117.218 119.914 -0.012 0.000 3.113 159 V HA 0.623 4.743 4.120 -0.001 0.000 0.316 159 V C -1.052 175.023 176.094 -0.031 0.000 1.125 159 V CA -0.785 61.504 62.300 -0.020 0.000 1.026 159 V CB 2.007 33.819 31.823 -0.019 0.000 1.080 159 V HN 0.842 nan 8.190 nan 0.000 0.444 160 E N 1.209 121.382 120.200 -0.045 0.000 2.234 160 E HA 0.652 5.001 4.350 -0.001 0.000 0.266 160 E C -1.800 174.732 176.600 -0.114 0.000 0.877 160 E CA -0.778 55.581 56.400 -0.069 0.000 0.758 160 E CB 2.000 31.666 29.700 -0.057 0.000 1.170 160 E HN 0.813 nan 8.360 nan 0.000 0.415 161 L N 4.509 125.625 121.223 -0.178 0.000 2.372 161 L HA 0.488 4.828 4.340 -0.001 0.000 0.273 161 L C -0.519 176.064 176.870 -0.480 0.000 0.989 161 L CA -0.655 53.977 54.840 -0.346 0.000 0.841 161 L CB 1.581 43.422 42.059 -0.365 0.000 1.225 161 L HN 0.346 nan 8.230 nan 0.000 0.414 162 K N 3.177 123.311 120.400 -0.444 0.000 2.221 162 K HA 0.609 4.929 4.320 -0.001 0.000 0.258 162 K C -1.435 174.930 176.600 -0.390 0.000 0.944 162 K CA -0.633 55.455 56.287 -0.332 0.000 0.823 162 K CB 2.365 34.782 32.500 -0.137 0.000 1.113 162 K HN 0.302 nan 8.250 nan 0.000 0.431 163 Y N 0.395 120.667 120.300 -0.048 0.000 2.587 163 Y HA 0.420 4.970 4.550 -0.001 0.000 0.337 163 Y C 0.043 175.882 175.900 -0.101 0.000 1.065 163 Y CA -0.826 57.218 58.100 -0.093 0.000 1.126 163 Y CB 2.402 40.768 38.460 -0.156 0.000 1.279 163 Y HN 0.576 nan 8.280 nan 0.000 0.489 164 E N 0.347 120.569 120.200 0.036 0.000 2.407 164 E HA 0.283 4.632 4.350 -0.001 0.000 0.279 164 E C -2.250 174.272 176.600 -0.131 0.000 1.012 164 E CA -0.776 55.616 56.400 -0.014 0.000 0.800 164 E CB 1.387 31.125 29.700 0.062 0.000 1.276 164 E HN 0.562 nan 8.360 nan 0.000 0.452 165 W N 2.775 124.061 121.300 -0.023 0.000 2.351 165 W HA 0.476 5.136 4.660 -0.001 0.000 0.311 165 W C -0.430 175.989 176.519 -0.167 0.000 1.168 165 W CA -0.326 56.970 57.345 -0.081 0.000 1.200 165 W CB 1.463 30.889 29.460 -0.056 0.000 1.221 165 W HN 0.289 nan 8.180 nan 0.000 0.519 166 V N -0.042 119.815 119.914 -0.094 0.000 2.876 166 V HA 0.521 4.640 4.120 -0.001 0.000 0.312 166 V C -0.848 174.859 176.094 -0.644 0.000 1.085 166 V CA -1.568 60.488 62.300 -0.407 0.000 0.945 166 V CB 1.763 33.178 31.823 -0.679 0.000 1.017 166 V HN 0.571 nan 8.190 nan 0.000 0.428 167 E N 2.105 121.983 120.200 -0.537 0.000 2.134 167 E HA 0.598 4.948 4.350 -0.001 0.000 0.278 167 E C -1.698 174.569 176.600 -0.556 0.000 0.959 167 E CA -0.583 55.545 56.400 -0.454 0.000 0.783 167 E CB 1.056 30.643 29.700 -0.190 0.000 1.095 167 E HN 0.616 nan 8.360 nan 0.000 0.399 168 F N 2.033 121.744 119.950 -0.399 0.000 2.450 168 F HA 0.384 4.911 4.527 -0.001 0.000 0.332 168 F C 0.590 176.276 175.800 -0.191 0.000 1.093 168 F CA -0.745 57.076 58.000 -0.297 0.000 1.003 168 F CB 1.962 40.717 39.000 -0.409 0.000 1.151 168 F HN 0.274 nan 8.300 nan 0.000 0.474 169 T N 0.912 115.565 114.554 0.165 0.000 2.863 169 T HA 0.777 5.127 4.350 -0.001 0.000 0.285 169 T C -0.692 174.130 174.700 0.204 0.000 1.009 169 T CA -0.907 61.293 62.100 0.166 0.000 0.989 169 T CB 1.188 70.123 68.868 0.111 0.000 1.004 169 T HN 0.491 nan 8.240 nan 0.000 0.455 170 L N 2.718 124.076 121.223 0.225 0.000 2.399 170 L HA 0.557 4.897 4.340 -0.001 0.000 0.265 170 L C -1.850 175.141 176.870 0.202 0.000 1.089 170 L CA -2.493 52.485 54.840 0.230 0.000 0.802 170 L CB 0.820 43.047 42.059 0.281 0.000 1.180 170 L HN 0.534 nan 8.230 nan 0.000 0.454 171 P HA 0.124 nan 4.420 nan 0.000 0.282 171 P C -0.690 176.747 177.300 0.229 0.000 1.262 171 P CA -0.338 62.875 63.100 0.188 0.000 0.773 171 P CB 0.834 32.641 31.700 0.177 0.000 0.879 172 E N 1.112 121.394 120.200 0.136 0.000 2.442 172 E HA 0.374 4.724 4.350 -0.001 0.000 0.262 172 E C 0.543 177.148 176.600 0.007 0.000 1.004 172 E CA 0.685 57.123 56.400 0.065 0.000 0.928 172 E CB 0.263 29.989 29.700 0.044 0.000 0.937 172 E HN 0.755 nan 8.360 nan 0.000 0.446 173 G N 2.121 110.781 108.800 -0.233 0.000 2.316 173 G HA2 0.034 3.994 3.960 -0.001 0.000 0.296 173 G HA3 0.034 3.994 3.960 -0.001 0.000 0.296 173 G C -1.627 172.771 174.900 -0.836 0.000 1.399 173 G CA -0.968 43.888 45.100 -0.406 0.000 0.833 173 G HN 0.445 nan 8.290 nan 0.000 0.565 174 N N -0.080 118.273 118.700 -0.578 0.000 2.437 174 N HA 0.660 5.399 4.740 -0.001 0.000 0.259 174 N C -0.958 174.327 175.510 -0.374 0.000 0.983 174 N CA -0.335 52.438 53.050 -0.462 0.000 0.937 174 N CB 0.435 38.796 38.487 -0.210 0.000 1.122 174 N HN 0.383 nan 8.380 nan 0.000 0.499 175 Y N 0.098 120.376 120.300 -0.037 0.000 2.772 175 Y HA 0.534 5.083 4.550 -0.001 0.000 0.324 175 Y C 1.036 176.905 175.900 -0.052 0.000 1.169 175 Y CA -1.245 56.829 58.100 -0.043 0.000 1.198 175 Y CB 0.256 38.690 38.460 -0.043 0.000 1.402 175 Y HN 0.283 nan 8.280 nan 0.000 0.577 176 S N -0.267 115.530 115.700 0.162 0.000 2.730 176 S HA 0.122 4.591 4.470 -0.001 0.000 0.284 176 S C 1.203 175.814 174.600 0.019 0.000 1.153 176 S CA -0.609 57.616 58.200 0.041 0.000 0.995 176 S CB 1.094 64.284 63.200 -0.016 0.000 1.058 176 S HN 0.744 nan 8.310 nan 0.000 0.552 177 E N 0.461 120.652 120.200 -0.015 0.000 2.106 177 E HA -0.161 4.189 4.350 -0.001 0.000 0.192 177 E C 1.647 178.196 176.600 -0.085 0.000 0.984 177 E CA 1.745 58.116 56.400 -0.048 0.000 0.806 177 E CB -0.223 29.447 29.700 -0.050 0.000 0.750 177 E HN 0.780 nan 8.360 nan 0.000 0.458 178 T N -0.902 113.598 114.554 -0.090 0.000 2.815 178 T HA -0.064 4.286 4.350 -0.001 0.000 0.244 178 T C 2.096 176.689 174.700 -0.178 0.000 1.040 178 T CA 0.735 62.758 62.100 -0.128 0.000 1.176 178 T CB -0.581 68.216 68.868 -0.118 0.000 0.880 178 T HN 0.085 nan 8.240 nan 0.000 0.414 179 M N 1.539 121.023 119.600 -0.193 0.000 2.327 179 M HA -0.193 4.287 4.480 -0.001 0.000 0.258 179 M C 2.002 178.104 176.300 -0.330 0.000 1.079 179 M CA 1.715 56.831 55.300 -0.307 0.000 1.056 179 M CB -0.774 31.677 32.600 -0.248 0.000 1.387 179 M HN 0.455 nan 8.290 nan 0.000 0.423 180 T N 0.840 115.280 114.554 -0.190 0.000 2.668 180 T HA -0.113 4.237 4.350 -0.001 0.000 0.262 180 T C 1.638 176.227 174.700 -0.185 0.000 1.045 180 T CA 1.549 63.571 62.100 -0.129 0.000 1.152 180 T CB -0.274 68.593 68.868 -0.001 0.000 0.864 180 T HN 0.381 nan 8.240 nan 0.000 0.419 181 I N 1.613 122.062 120.570 -0.202 0.000 2.074 181 I HA -0.332 3.838 4.170 -0.001 0.000 0.238 181 I C 2.354 178.370 176.117 -0.168 0.000 1.037 181 I CA 1.795 62.963 61.300 -0.221 0.000 1.301 181 I CB -0.623 37.279 38.000 -0.163 0.000 1.016 181 I HN 0.209 nan 8.210 nan 0.000 0.400 182 D N 0.687 120.950 120.400 -0.228 0.000 2.154 182 D HA -0.219 4.420 4.640 -0.001 0.000 0.190 182 D C 2.136 178.363 176.300 -0.121 0.000 1.003 182 D CA 1.178 54.998 54.000 -0.300 0.000 0.849 182 D CB -0.457 39.845 40.800 -0.830 0.000 0.942 182 D HN 0.146 nan 8.370 nan 0.000 0.446 183 L N -0.026 121.104 121.223 -0.155 0.000 2.081 183 L HA -0.169 4.171 4.340 -0.001 0.000 0.212 183 L C 2.264 179.193 176.870 0.097 0.000 1.080 183 L CA 1.498 56.342 54.840 0.006 0.000 0.754 183 L CB -0.774 41.205 42.059 -0.133 0.000 0.893 183 L HN 0.234 nan 8.230 nan 0.000 0.433 184 M N -1.232 118.394 119.600 0.043 0.000 2.098 184 M HA -0.176 4.303 4.480 -0.001 0.000 0.262 184 M C 1.967 178.398 176.300 0.218 0.000 1.072 184 M CA 1.330 56.706 55.300 0.126 0.000 1.133 184 M CB -0.497 31.955 32.600 -0.247 0.000 1.344 184 M HN 0.216 nan 8.290 nan 0.000 0.414 185 N N 0.920 119.747 118.700 0.211 0.000 2.069 185 N HA -0.192 4.548 4.740 -0.001 0.000 0.191 185 N C 1.436 177.048 175.510 0.170 0.000 1.031 185 N CA 1.743 54.914 53.050 0.202 0.000 0.852 185 N CB -0.736 37.857 38.487 0.177 0.000 1.018 185 N HN 0.375 nan 8.380 nan 0.000 0.423 186 N N 1.086 119.921 118.700 0.224 0.000 2.043 186 N HA -0.131 4.608 4.740 -0.001 0.000 0.193 186 N C 1.515 177.123 175.510 0.164 0.000 1.037 186 N CA 1.962 55.151 53.050 0.231 0.000 0.851 186 N CB -0.427 38.239 38.487 0.300 0.000 1.027 186 N HN 0.196 nan 8.380 nan 0.000 0.422 187 A N 0.112 123.020 122.820 0.147 0.000 2.076 187 A HA -0.092 4.228 4.320 -0.001 0.000 0.220 187 A C 2.069 179.613 177.584 -0.066 0.000 1.160 187 A CA 1.036 53.143 52.037 0.116 0.000 0.653 187 A CB -0.619 18.480 19.000 0.165 0.000 0.801 187 A HN 0.413 nan 8.150 nan 0.000 0.455 188 I N -0.735 119.726 120.570 -0.182 0.000 2.277 188 I HA -0.122 4.048 4.170 -0.001 0.000 0.243 188 I C 2.527 178.701 176.117 0.094 0.000 1.094 188 I CA 0.929 62.032 61.300 -0.328 0.000 1.393 188 I CB -1.291 36.575 38.000 -0.223 0.000 1.078 188 I HN 0.148 nan 8.210 nan 0.000 0.417 189 V N 0.827 120.834 119.914 0.154 0.000 2.233 189 V HA -0.294 3.826 4.120 -0.001 0.000 0.247 189 V C 2.455 178.747 176.094 0.331 0.000 1.050 189 V CA 1.884 64.350 62.300 0.277 0.000 1.010 189 V CB -0.700 31.285 31.823 0.270 0.000 0.637 189 V HN 0.381 nan 8.190 nan 0.000 0.444 190 E N -0.995 119.356 120.200 0.250 0.000 2.253 190 E HA -0.313 4.037 4.350 -0.001 0.000 0.202 190 E C 2.178 178.930 176.600 0.253 0.000 1.014 190 E CA 1.619 58.149 56.400 0.217 0.000 0.823 190 E CB -0.171 29.642 29.700 0.188 0.000 0.736 190 E HN 0.741 nan 8.360 nan 0.000 0.478 191 H N -0.840 118.383 119.070 0.255 0.000 2.384 191 H HA -0.134 4.421 4.556 -0.001 0.000 0.300 191 H C 1.929 177.393 175.328 0.228 0.000 1.057 191 H CA 1.453 57.663 56.048 0.269 0.000 1.370 191 H CB -0.377 29.667 29.762 0.470 0.000 1.417 191 H HN 0.287 nan 8.280 nan 0.000 0.527 192 Y N 1.920 122.401 120.300 0.301 0.000 2.298 192 Y HA -0.224 4.325 4.550 -0.001 0.000 0.287 192 Y C 2.238 178.170 175.900 0.054 0.000 1.164 192 Y CA 1.585 59.797 58.100 0.187 0.000 1.229 192 Y CB -0.496 38.084 38.460 0.200 0.000 0.977 192 Y HN 0.158 nan 8.280 nan 0.000 0.538 193 L N 0.207 121.398 121.223 -0.054 0.000 2.034 193 L HA -0.158 4.182 4.340 -0.001 0.000 0.203 193 L C 2.518 179.271 176.870 -0.195 0.000 1.074 193 L CA 1.735 56.467 54.840 -0.180 0.000 0.748 193 L CB -0.831 41.223 42.059 -0.009 0.000 0.905 193 L HN 0.040 nan 8.230 nan 0.000 0.439 194 K N -0.250 120.067 120.400 -0.138 0.000 2.360 194 K HA -0.132 4.187 4.320 -0.001 0.000 0.201 194 K C 1.246 177.719 176.600 -0.212 0.000 1.046 194 K CA 1.030 57.230 56.287 -0.146 0.000 0.940 194 K CB 0.316 32.753 32.500 -0.105 0.000 0.748 194 K HN 0.172 nan 8.250 nan 0.000 0.465 195 V N -2.161 117.568 119.914 -0.309 0.000 4.454 195 V HA 0.080 4.199 4.120 -0.001 0.000 0.159 195 V C 1.853 177.814 176.094 -0.221 0.000 1.262 195 V CA 0.553 62.690 62.300 -0.271 0.000 1.223 195 V CB -0.664 30.947 31.823 -0.353 0.000 1.452 195 V HN 0.370 nan 8.190 nan 0.000 0.595 196 G N 2.522 111.217 108.800 -0.175 0.000 2.907 196 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.235 196 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.235 196 G C 1.464 176.259 174.900 -0.174 0.000 1.198 196 G CA 2.759 47.838 45.100 -0.034 0.000 0.766 196 G HN 0.697 nan 8.290 nan 0.000 0.763 197 R N 0.108 120.231 120.500 -0.628 0.000 2.162 197 R HA -0.234 4.106 4.340 -0.001 0.000 0.245 197 R C 2.048 178.251 176.300 -0.162 0.000 1.129 197 R CA 2.173 58.040 56.100 -0.388 0.000 0.940 197 R CB -1.124 28.807 30.300 -0.615 0.000 0.875 197 R HN 0.553 nan 8.270 nan 0.000 0.437 198 Q N 1.244 120.928 119.800 -0.193 0.000 2.271 198 Q HA 0.097 4.436 4.340 -0.001 0.000 0.206 198 Q C -0.394 175.562 176.000 -0.073 0.000 0.860 198 Q CA 0.170 55.908 55.803 -0.109 0.000 0.991 198 Q CB -0.162 28.507 28.738 -0.115 0.000 1.232 198 Q HN 0.422 nan 8.270 nan 0.000 0.410 199 N N -0.627 118.042 118.700 -0.051 0.000 2.628 199 N HA 0.045 4.784 4.740 -0.001 0.000 0.235 199 N C -0.092 175.416 175.510 -0.004 0.000 1.390 199 N CA 0.569 53.603 53.050 -0.027 0.000 1.380 199 N CB 1.136 39.605 38.487 -0.030 0.000 1.444 199 N HN 0.439 nan 8.380 nan 0.000 0.573 200 G N 0.126 108.931 108.800 0.007 0.000 2.166 200 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 200 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 200 G C 0.041 174.979 174.900 0.063 0.000 0.986 200 G CA 0.630 45.746 45.100 0.027 0.000 0.683 200 G HN 0.216 nan 8.290 nan 0.000 0.527 201 V N 1.564 121.540 119.914 0.103 0.000 2.383 201 V HA 0.552 4.672 4.120 -0.001 0.000 0.275 201 V C 0.791 177.074 176.094 0.315 0.000 1.036 201 V CA -0.511 61.908 62.300 0.197 0.000 0.889 201 V CB 1.427 33.412 31.823 0.269 0.000 0.985 201 V HN 0.315 nan 8.190 nan 0.000 0.459 202 L N 4.807 126.156 121.223 0.210 0.000 2.307 202 L HA 0.402 4.742 4.340 -0.001 0.000 0.282 202 L C 1.722 178.636 176.870 0.073 0.000 1.051 202 L CA -0.477 54.475 54.840 0.188 0.000 0.804 202 L CB 1.295 43.423 42.059 0.115 0.000 1.197 202 L HN 0.773 nan 8.230 nan 0.000 0.431 203 E N 0.543 120.743 120.200 -0.001 0.000 2.208 203 E HA -0.261 4.089 4.350 -0.001 0.000 0.202 203 E C 1.380 177.872 176.600 -0.181 0.000 1.014 203 E CA 1.719 57.956 56.400 -0.272 0.000 0.819 203 E CB -0.288 29.399 29.700 -0.022 0.000 0.735 203 E HN 0.639 nan 8.360 nan 0.000 0.469 204 S N 1.636 117.321 115.700 -0.025 0.000 2.559 204 S HA -0.115 4.355 4.470 -0.001 0.000 0.250 204 S C 0.220 174.829 174.600 0.015 0.000 0.977 204 S CA 1.431 59.641 58.200 0.017 0.000 0.958 204 S CB -0.279 62.953 63.200 0.054 0.000 0.751 204 S HN 0.564 nan 8.310 nan 0.000 0.534 205 D N -1.016 119.376 120.400 -0.013 0.000 2.740 205 D HA 0.150 4.789 4.640 -0.001 0.000 0.305 205 D C -0.213 176.077 176.300 -0.017 0.000 1.583 205 D CA -0.437 53.577 54.000 0.022 0.000 0.790 205 D CB -0.822 40.005 40.800 0.046 0.000 1.187 205 D HN 0.231 nan 8.370 nan 0.000 0.447 206 I N 1.351 121.841 120.570 -0.133 0.000 2.598 206 I HA 0.207 4.376 4.170 -0.001 0.000 0.284 206 I C 1.903 177.915 176.117 -0.176 0.000 1.140 206 I CA 0.181 61.375 61.300 -0.177 0.000 1.420 206 I CB 1.298 39.096 38.000 -0.337 0.000 1.387 206 I HN 0.238 nan 8.210 nan 0.000 0.553 207 G N 6.618 115.330 108.800 -0.147 0.000 2.422 207 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.218 207 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.218 207 G C 0.604 175.319 174.900 -0.309 0.000 1.146 207 G CA 0.851 45.814 45.100 -0.229 0.000 0.769 207 G HN 0.554 nan 8.290 nan 0.000 0.547 208 V N -2.846 116.880 119.914 -0.314 0.000 2.656 208 V HA 0.835 4.955 4.120 -0.001 0.000 0.307 208 V C -0.843 174.960 176.094 -0.485 0.000 1.051 208 V CA -1.387 60.666 62.300 -0.412 0.000 0.893 208 V CB 2.000 33.580 31.823 -0.407 0.000 0.999 208 V HN 0.147 nan 8.190 nan 0.000 0.426 209 K N 3.693 123.744 120.400 -0.582 0.000 2.525 209 K HA 0.626 4.946 4.320 -0.001 0.000 0.254 209 K C -2.118 174.183 176.600 -0.498 0.000 0.934 209 K CA -0.655 55.346 56.287 -0.478 0.000 0.802 209 K CB 2.284 34.568 32.500 -0.360 0.000 1.295 209 K HN 0.705 nan 8.250 nan 0.000 0.433 210 F N 3.528 123.432 119.950 -0.076 0.000 2.361 210 F HA 0.259 4.785 4.527 -0.001 0.000 0.364 210 F C 0.664 176.446 175.800 -0.029 0.000 1.117 210 F CA -0.432 57.536 58.000 -0.054 0.000 1.071 210 F CB 1.177 40.122 39.000 -0.091 0.000 1.188 210 F HN 0.580 nan 8.300 nan 0.000 0.464 211 D N 1.113 121.616 120.400 0.170 0.000 2.568 211 D HA 0.360 5.000 4.640 -0.001 0.000 0.219 211 D C 0.407 176.767 176.300 0.100 0.000 1.239 211 D CA 0.127 54.210 54.000 0.139 0.000 1.096 211 D CB 1.943 42.883 40.800 0.233 0.000 1.198 211 D HN 0.505 nan 8.370 nan 0.000 0.620 212 T N -2.015 112.574 114.554 0.058 0.000 4.440 212 T HA 0.158 4.507 4.350 -0.001 0.000 0.320 212 T C -0.002 174.661 174.700 -0.061 0.000 0.880 212 T CA -0.560 61.538 62.100 -0.004 0.000 0.813 212 T CB -0.250 68.591 68.868 -0.045 0.000 1.037 212 T HN 0.545 nan 8.240 nan 0.000 0.588 213 R N 0.735 121.140 120.500 -0.158 0.000 2.873 213 R HA 0.568 4.907 4.340 -0.001 0.000 0.264 213 R C -0.678 175.427 176.300 -0.326 0.000 1.026 213 R CA -0.884 55.087 56.100 -0.215 0.000 1.002 213 R CB 0.867 30.949 30.300 -0.364 0.000 1.174 213 R HN 0.186 nan 8.270 nan 0.000 0.488 214 N N 1.259 119.816 118.700 -0.239 0.000 2.508 214 N HA 0.067 4.807 4.740 -0.001 0.000 0.253 214 N C -0.737 174.710 175.510 -0.104 0.000 1.145 214 N CA -0.457 52.505 53.050 -0.148 0.000 0.973 214 N CB 0.120 38.431 38.487 -0.294 0.000 1.305 214 N HN 0.459 nan 8.380 nan 0.000 0.506 215 F N 3.129 123.095 119.950 0.028 0.000 2.646 215 F HA -0.017 4.510 4.527 -0.001 0.000 0.320 215 F C 1.146 176.978 175.800 0.054 0.000 1.307 215 F CA 0.269 58.243 58.000 -0.043 0.000 1.431 215 F CB -0.236 38.620 39.000 -0.239 0.000 1.297 215 F HN 0.591 nan 8.300 nan 0.000 0.556 216 R N -1.535 119.069 120.500 0.172 0.000 2.418 216 R HA 0.129 4.469 4.340 -0.001 0.000 0.218 216 R C -0.603 175.730 176.300 0.055 0.000 1.151 216 R CA -0.099 56.074 56.100 0.122 0.000 1.221 216 R CB -0.930 29.297 30.300 -0.121 0.000 1.366 216 R HN 0.394 nan 8.270 nan 0.000 0.767 217 L N -0.261 121.019 121.223 0.095 0.000 2.130 217 L HA 0.263 4.602 4.340 -0.001 0.000 0.200 217 L C 2.358 179.293 176.870 0.109 0.000 1.075 217 L CA 1.540 56.415 54.840 0.059 0.000 0.768 217 L CB -0.224 41.848 42.059 0.021 0.000 0.933 217 L HN 0.575 nan 8.230 nan 0.000 0.451 218 G N -0.131 108.745 108.800 0.126 0.000 2.498 218 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.219 218 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.219 218 G C 0.664 175.631 174.900 0.112 0.000 1.119 218 G CA -0.286 44.870 45.100 0.093 0.000 0.766 218 G HN 0.154 nan 8.290 nan 0.000 0.552 219 F N 1.744 121.706 119.950 0.019 0.000 2.594 219 F HA 0.008 4.535 4.527 -0.001 0.000 0.384 219 F C 0.300 176.097 175.800 -0.006 0.000 1.060 219 F CA 0.037 58.047 58.000 0.016 0.000 1.278 219 F CB 0.598 39.600 39.000 0.004 0.000 0.977 219 F HN 0.016 nan 8.300 nan 0.000 0.576 220 D N 8.772 128.761 120.400 -0.685 0.000 2.381 220 D HA 0.203 4.843 4.640 -0.001 0.000 0.235 220 D C -1.641 174.284 176.300 -0.624 0.000 1.068 220 D CA -1.976 51.762 54.000 -0.437 0.000 0.832 220 D CB 1.975 42.582 40.800 -0.323 0.000 1.101 220 D HN 0.259 nan 8.370 nan 0.000 0.515 221 P HA -0.210 nan 4.420 nan 0.000 0.218 221 P C 1.261 178.558 177.300 -0.005 0.000 1.150 221 P CA 0.864 64.044 63.100 0.133 0.000 0.841 221 P CB 0.688 32.465 31.700 0.130 0.000 0.784 222 V N -0.209 119.642 119.914 -0.105 0.000 2.690 222 V HA -0.056 4.064 4.120 -0.001 0.000 0.240 222 V C 2.712 178.720 176.094 -0.144 0.000 1.078 222 V CA 2.272 64.519 62.300 -0.089 0.000 1.102 222 V CB -1.038 30.748 31.823 -0.061 0.000 0.800 222 V HN 0.225 nan 8.190 nan 0.000 0.479 223 T N -1.139 113.292 114.554 -0.204 0.000 2.977 223 T HA 0.042 4.391 4.350 -0.001 0.000 0.271 223 T C 1.594 176.140 174.700 -0.258 0.000 1.105 223 T CA 1.450 63.426 62.100 -0.206 0.000 1.116 223 T CB -0.593 68.144 68.868 -0.219 0.000 0.878 223 T HN 1.699 nan 8.240 nan 0.000 0.509 224 G N 0.879 109.441 108.800 -0.397 0.000 2.198 224 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G C -0.166 174.533 174.900 -0.335 0.000 1.025 224 G CA 0.573 45.450 45.100 -0.372 0.000 0.769 224 G HN 0.698 nan 8.290 nan 0.000 0.507 225 L N -1.349 119.576 121.223 -0.498 0.000 2.409 225 L HA 0.507 4.846 4.340 -0.001 0.000 0.255 225 L C 0.545 177.287 176.870 -0.214 0.000 1.027 225 L CA -1.403 53.304 54.840 -0.222 0.000 0.834 225 L CB 2.262 44.230 42.059 -0.152 0.000 1.426 225 L HN -0.159 nan 8.230 nan 0.000 0.411 226 V N 3.043 122.947 119.914 -0.016 0.000 2.149 226 V HA -0.021 4.099 4.120 -0.001 0.000 0.245 226 V C 1.472 177.515 176.094 -0.085 0.000 1.349 226 V CA -0.171 62.136 62.300 0.012 0.000 1.289 226 V CB -0.016 31.831 31.823 0.040 0.000 1.401 226 V HN 0.702 nan 8.190 nan 0.000 0.501 227 M N 3.613 123.135 119.600 -0.130 0.000 2.345 227 M HA -0.209 4.271 4.480 -0.001 0.000 0.253 227 M C -0.002 176.213 176.300 -0.142 0.000 1.068 227 M CA 2.336 57.537 55.300 -0.164 0.000 1.069 227 M CB -2.485 30.012 32.600 -0.172 0.000 1.292 227 M HN 0.346 nan 8.290 nan 0.000 0.430 228 P HA -0.003 nan 4.420 nan 0.000 0.231 228 P C 0.791 178.045 177.300 -0.076 0.000 1.154 228 P CA 1.660 64.717 63.100 -0.072 0.000 0.762 228 P CB -0.341 31.339 31.700 -0.034 0.000 0.790 229 G N -1.950 106.788 108.800 -0.103 0.000 2.175 229 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.265 229 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.265 229 G C 0.116 174.948 174.900 -0.114 0.000 0.979 229 G CA 0.180 45.218 45.100 -0.103 0.000 0.663 229 G HN 0.388 nan 8.290 nan 0.000 0.533 230 V N -0.180 119.660 119.914 -0.123 0.000 2.711 230 V HA 0.399 4.519 4.120 -0.001 0.000 0.304 230 V C -0.267 175.786 176.094 -0.069 0.000 1.097 230 V CA -1.501 60.742 62.300 -0.095 0.000 0.906 230 V CB 1.546 33.367 31.823 -0.004 0.000 1.015 230 V HN 0.257 nan 8.190 nan 0.000 0.427 231 Y N 1.962 122.340 120.300 0.129 0.000 2.650 231 Y HA 0.108 4.658 4.550 -0.001 0.000 0.342 231 Y C 1.523 177.436 175.900 0.023 0.000 1.110 231 Y CA 0.384 58.546 58.100 0.103 0.000 1.438 231 Y CB 0.640 39.210 38.460 0.182 0.000 1.181 231 Y HN 0.698 nan 8.280 nan 0.000 0.526 232 T N 4.209 118.851 114.554 0.147 0.000 2.695 232 T HA -0.131 4.219 4.350 -0.001 0.000 0.264 232 T C 0.970 175.714 174.700 0.074 0.000 0.993 232 T CA -0.523 61.635 62.100 0.098 0.000 1.248 232 T CB -0.550 68.379 68.868 0.102 0.000 0.946 232 T HN 0.739 nan 8.240 nan 0.000 0.526 233 N N 4.936 123.668 118.700 0.054 0.000 2.747 233 N HA -0.049 4.691 4.740 -0.001 0.000 0.252 233 N C -0.166 175.349 175.510 0.009 0.000 1.352 233 N CA 0.105 53.163 53.050 0.013 0.000 0.960 233 N CB -0.145 38.354 38.487 0.020 0.000 1.303 233 N HN 0.621 nan 8.380 nan 0.000 0.518 234 E N 0.096 120.340 120.200 0.073 0.000 2.277 234 E HA 0.395 4.744 4.350 -0.001 0.000 0.274 234 E C -0.536 175.988 176.600 -0.127 0.000 1.022 234 E CA -0.664 55.724 56.400 -0.019 0.000 0.853 234 E CB 1.748 31.476 29.700 0.047 0.000 1.086 234 E HN 0.429 nan 8.360 nan 0.000 0.397 235 A N 2.928 125.546 122.820 -0.337 0.000 2.366 235 A HA 0.445 4.765 4.320 -0.001 0.000 0.272 235 A C -0.781 176.448 177.584 -0.592 0.000 1.135 235 A CA -0.102 51.751 52.037 -0.308 0.000 0.804 235 A CB -0.295 18.575 19.000 -0.217 0.000 1.064 235 A HN 0.481 nan 8.150 nan 0.000 0.499 236 F N 3.422 123.280 119.950 -0.153 0.000 2.794 236 F HA 0.318 4.845 4.527 -0.001 0.000 0.353 236 F C 0.083 175.782 175.800 -0.168 0.000 1.371 236 F CA 0.004 57.907 58.000 -0.161 0.000 1.173 236 F CB 0.285 39.131 39.000 -0.257 0.000 1.693 236 F HN 0.854 nan 8.300 nan 0.000 0.606 237 H N 0.410 119.453 119.070 -0.044 0.000 4.495 237 H HA -0.121 4.435 4.556 -0.001 0.000 0.273 237 H C -2.998 172.321 175.328 -0.015 0.000 0.601 237 H CA -0.685 55.357 56.048 -0.011 0.000 0.743 237 H CB 0.226 30.041 29.762 0.088 0.000 1.073 237 H HN 0.260 nan 8.280 nan 0.000 0.311 238 P HA 0.046 nan 4.420 nan 0.000 0.266 238 P C -0.267 177.154 177.300 0.201 0.000 1.193 238 P CA 0.930 63.953 63.100 -0.127 0.000 0.770 238 P CB 0.554 32.065 31.700 -0.316 0.000 0.836 239 D N 1.126 121.666 120.400 0.232 0.000 2.744 239 D HA 0.534 5.174 4.640 -0.001 0.000 0.304 239 D C -1.055 175.430 176.300 0.308 0.000 1.179 239 D CA -0.488 53.742 54.000 0.385 0.000 1.024 239 D CB 0.817 41.854 40.800 0.395 0.000 1.453 239 D HN 0.123 nan 8.370 nan 0.000 0.529 240 I N -0.041 120.712 120.570 0.306 0.000 2.534 240 I HA 0.359 4.529 4.170 -0.001 0.000 0.288 240 I C -0.854 175.304 176.117 0.069 0.000 1.077 240 I CA -0.802 60.587 61.300 0.148 0.000 1.051 240 I CB 1.930 40.014 38.000 0.140 0.000 1.234 240 I HN 0.272 nan 8.210 nan 0.000 0.425 241 I N 6.945 127.443 120.570 -0.120 0.000 2.355 241 I HA 0.431 4.600 4.170 -0.001 0.000 0.288 241 I C -0.256 175.696 176.117 -0.275 0.000 0.999 241 I CA -0.332 60.848 61.300 -0.200 0.000 1.163 241 I CB 1.269 39.049 38.000 -0.365 0.000 1.316 241 I HN 0.323 nan 8.210 nan 0.000 0.454 242 L N 6.121 127.258 121.223 -0.143 0.000 2.347 242 L HA 0.657 4.997 4.340 -0.001 0.000 0.268 242 L C -0.380 176.403 176.870 -0.145 0.000 1.019 242 L CA -0.942 53.814 54.840 -0.138 0.000 0.806 242 L CB 1.826 43.902 42.059 0.029 0.000 1.339 242 L HN 0.447 nan 8.230 nan 0.000 0.463 243 L N -0.451 120.587 121.223 -0.308 0.000 2.277 243 L HA 0.526 4.866 4.340 -0.001 0.000 0.254 243 L C -2.476 173.661 176.870 -1.222 0.000 1.044 243 L CA -1.836 52.717 54.840 -0.478 0.000 0.842 243 L CB 3.003 44.915 42.059 -0.246 0.000 1.422 243 L HN 0.241 nan 8.230 nan 0.000 0.422 244 P HA 0.119 nan 4.420 nan 0.000 0.269 244 P C 0.240 177.141 177.300 -0.664 0.000 1.209 244 P CA 0.627 62.989 63.100 -1.230 0.000 0.776 244 P CB 0.558 32.005 31.700 -0.421 0.000 0.876 245 G N 0.625 109.178 108.800 -0.411 0.000 2.168 245 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.257 245 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.257 245 G C 0.184 174.582 174.900 -0.836 0.000 0.997 245 G CA 0.200 45.023 45.100 -0.462 0.000 0.708 245 G HN 0.869 nan 8.290 nan 0.000 0.520 246 C N -3.102 115.825 119.300 -0.621 0.000 3.336 246 C HA 1.101 5.561 4.460 -0.001 0.000 0.339 246 C C 0.746 175.534 174.990 -0.335 0.000 1.468 246 C CA -0.143 58.514 59.018 -0.601 0.000 1.287 246 C CB 1.677 28.996 27.740 -0.702 0.000 1.682 246 C HN 2.086 nan 8.230 nan 0.000 0.451 247 G N -1.051 107.538 108.800 -0.353 0.000 2.341 247 G HA2 0.642 4.602 3.960 -0.001 0.000 0.299 247 G HA3 0.642 4.602 3.960 -0.001 0.000 0.299 247 G C -2.020 172.859 174.900 -0.035 0.000 1.274 247 G CA 0.306 45.337 45.100 -0.116 0.000 0.853 247 G HN 2.030 nan 8.290 nan 0.000 0.493 248 V N 0.183 120.196 119.914 0.166 0.000 3.007 248 V HA 0.772 4.892 4.120 -0.001 0.000 0.311 248 V C -1.820 174.412 176.094 0.230 0.000 1.120 248 V CA -0.450 62.001 62.300 0.252 0.000 0.980 248 V CB 2.143 34.062 31.823 0.161 0.000 1.033 248 V HN 1.125 nan 8.190 nan 0.000 0.429 249 D N 3.538 124.010 120.400 0.119 0.000 2.646 249 D HA 0.398 5.037 4.640 -0.001 0.000 0.245 249 D C -0.757 175.425 176.300 -0.197 0.000 1.099 249 D CA -0.352 53.636 54.000 -0.021 0.000 0.849 249 D CB 1.848 42.565 40.800 -0.138 0.000 1.448 249 D HN 0.344 nan 8.370 nan 0.000 0.489 250 F N 1.189 121.216 119.950 0.127 0.000 2.688 250 F HA 0.142 4.669 4.527 -0.001 0.000 0.310 250 F C 2.196 178.093 175.800 0.161 0.000 1.098 250 F CA -0.314 57.810 58.000 0.206 0.000 1.228 250 F CB 0.599 39.757 39.000 0.262 0.000 1.042 250 F HN 0.330 nan 8.300 nan 0.000 0.557 251 T N -0.897 113.762 114.554 0.174 0.000 2.814 251 T HA -0.264 4.086 4.350 -0.001 0.000 0.264 251 T C 0.703 175.206 174.700 -0.327 0.000 1.050 251 T CA 1.729 63.767 62.100 -0.102 0.000 1.147 251 T CB -0.409 68.279 68.868 -0.300 0.000 0.833 251 T HN 0.300 nan 8.240 nan 0.000 0.498 252 H N -0.205 118.924 119.070 0.098 0.000 2.624 252 H HA 0.615 5.171 4.556 -0.001 0.000 0.233 252 H C -0.442 174.967 175.328 0.135 0.000 1.376 252 H CA -0.289 55.779 56.048 0.032 0.000 1.137 252 H CB 0.467 30.244 29.762 0.025 0.000 1.867 252 H HN 0.189 nan 8.280 nan 0.000 0.547 253 S N 0.317 116.181 115.700 0.273 0.000 2.548 253 S HA 0.284 4.753 4.470 -0.001 0.000 0.278 253 S C 0.343 175.097 174.600 0.257 0.000 1.150 253 S CA -0.718 57.685 58.200 0.339 0.000 0.907 253 S CB 1.313 64.797 63.200 0.474 0.000 1.108 253 S HN 0.454 nan 8.310 nan 0.000 0.459 254 R N 2.866 123.482 120.500 0.192 0.000 2.297 254 R HA 0.273 4.612 4.340 -0.001 0.000 0.197 254 R C 1.539 177.854 176.300 0.026 0.000 0.943 254 R CA 0.263 56.410 56.100 0.080 0.000 1.038 254 R CB -0.231 30.113 30.300 0.074 0.000 0.957 254 R HN 0.630 nan 8.270 nan 0.000 0.484 255 L N 0.551 121.832 121.223 0.096 0.000 2.189 255 L HA -0.260 4.080 4.340 -0.001 0.000 0.214 255 L C 2.582 179.291 176.870 -0.268 0.000 1.097 255 L CA 1.368 56.200 54.840 -0.014 0.000 0.764 255 L CB -0.540 41.586 42.059 0.112 0.000 0.900 255 L HN 0.273 nan 8.230 nan 0.000 0.436 256 S N 0.667 116.122 115.700 -0.409 0.000 2.372 256 S HA -0.268 4.202 4.470 -0.001 0.000 0.227 256 S C 1.845 176.197 174.600 -0.415 0.000 1.044 256 S CA 2.002 59.761 58.200 -0.735 0.000 1.050 256 S CB -0.326 62.647 63.200 -0.378 0.000 0.901 256 S HN 0.502 nan 8.310 nan 0.000 0.447 257 N N 1.568 120.117 118.700 -0.251 0.000 2.149 257 N HA -0.084 4.655 4.740 -0.001 0.000 0.188 257 N C 1.735 177.133 175.510 -0.188 0.000 1.019 257 N CA 1.339 54.274 53.050 -0.191 0.000 0.857 257 N CB -0.851 37.558 38.487 -0.131 0.000 0.997 257 N HN 0.418 nan 8.380 nan 0.000 0.426 258 L N 1.745 122.855 121.223 -0.190 0.000 2.012 258 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 258 L C 2.024 178.751 176.870 -0.239 0.000 1.073 258 L CA 1.362 56.095 54.840 -0.179 0.000 0.748 258 L CB -1.036 40.927 42.059 -0.160 0.000 0.891 258 L HN 0.111 nan 8.230 nan 0.000 0.431 259 L N -0.282 120.752 121.223 -0.315 0.000 2.046 259 L HA 0.017 4.357 4.340 -0.001 0.000 0.208 259 L C 1.625 178.307 176.870 -0.314 0.000 1.077 259 L CA 1.018 55.654 54.840 -0.339 0.000 0.747 259 L CB -0.901 40.919 42.059 -0.399 0.000 0.896 259 L HN 0.601 nan 8.230 nan 0.000 0.432 260 G N 0.467 109.119 108.800 -0.246 0.000 2.164 260 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.212 260 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.212 260 G C -0.083 174.767 174.900 -0.083 0.000 1.031 260 G CA -0.445 44.591 45.100 -0.106 0.000 0.730 260 G HN 0.135 nan 8.290 nan 0.000 0.501 261 I N 0.631 121.021 120.570 -0.300 0.000 2.428 261 I HA 0.484 4.654 4.170 -0.001 0.000 0.279 261 I C 0.601 176.556 176.117 -0.270 0.000 1.040 261 I CA -0.743 60.254 61.300 -0.505 0.000 1.171 261 I CB 0.867 38.358 38.000 -0.848 0.000 1.312 261 I HN 0.108 nan 8.210 nan 0.000 0.470 262 R N 3.333 123.691 120.500 -0.237 0.000 2.540 262 R HA 0.404 4.743 4.340 -0.001 0.000 0.287 262 R C 0.051 176.178 176.300 -0.289 0.000 0.980 262 R CA -0.785 55.153 56.100 -0.270 0.000 0.966 262 R CB 2.099 32.264 30.300 -0.226 0.000 1.106 262 R HN 0.401 nan 8.270 nan 0.000 0.480 263 K N 1.558 121.663 120.400 -0.491 0.000 2.368 263 K HA -0.017 4.303 4.320 -0.001 0.000 0.282 263 K C 0.861 177.336 176.600 -0.209 0.000 1.035 263 K CA 0.017 56.069 56.287 -0.393 0.000 0.973 263 K CB 0.769 32.921 32.500 -0.580 0.000 0.957 263 K HN 0.341 nan 8.250 nan 0.000 0.474 264 R N 2.353 122.796 120.500 -0.094 0.000 2.293 264 R HA -0.142 4.198 4.340 -0.001 0.000 0.219 264 R C 0.097 176.386 176.300 -0.019 0.000 1.091 264 R CA 1.605 57.687 56.100 -0.030 0.000 1.004 264 R CB 0.105 30.429 30.300 0.040 0.000 0.865 264 R HN 0.713 nan 8.270 nan 0.000 0.469 265 Q N -2.208 117.574 119.800 -0.029 0.000 3.449 265 Q HA 0.236 4.575 4.340 -0.001 0.000 0.272 265 Q C -2.262 173.689 176.000 -0.081 0.000 0.787 265 Q CA -1.526 54.268 55.803 -0.015 0.000 0.904 265 Q CB 1.289 30.067 28.738 0.067 0.000 1.536 265 Q HN -0.025 nan 8.270 nan 0.000 0.387 266 P HA -0.269 nan 4.420 nan 0.000 0.230 266 P C 0.527 177.613 177.300 -0.358 0.000 1.150 266 P CA 1.559 64.412 63.100 -0.413 0.000 0.933 266 P CB -0.222 31.103 31.700 -0.624 0.000 0.785 267 F N -0.009 119.911 119.950 -0.050 0.000 2.729 267 F HA -0.047 4.480 4.527 -0.001 0.000 0.299 267 F C 1.383 177.166 175.800 -0.028 0.000 1.292 267 F CA 0.369 58.347 58.000 -0.037 0.000 1.450 267 F CB -0.786 38.201 39.000 -0.022 0.000 1.109 267 F HN 0.001 nan 8.300 nan 0.000 0.561 268 Q N 1.431 121.264 119.800 0.056 0.000 2.431 268 Q HA 0.109 4.449 4.340 -0.001 0.000 0.249 268 Q C -0.088 175.921 176.000 0.015 0.000 1.025 268 Q CA -0.315 55.519 55.803 0.052 0.000 0.835 268 Q CB 1.198 29.970 28.738 0.058 0.000 1.207 268 Q HN 0.431 nan 8.270 nan 0.000 0.490 269 E N 1.538 121.749 120.200 0.017 0.000 2.529 269 E HA 0.192 4.541 4.350 -0.001 0.000 0.259 269 E C -0.101 176.492 176.600 -0.010 0.000 0.966 269 E CA 0.558 56.950 56.400 -0.015 0.000 0.937 269 E CB 0.293 29.987 29.700 -0.011 0.000 0.923 269 E HN 0.776 nan 8.360 nan 0.000 0.468 270 G N 3.961 112.746 108.800 -0.026 0.000 3.226 270 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.685 270 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.685 270 G C -1.062 173.963 174.900 0.208 0.000 1.207 270 G CA -0.480 44.638 45.100 0.030 0.000 0.877 270 G HN 0.501 nan 8.290 nan 0.000 0.585 271 F N 3.736 123.699 119.950 0.021 0.000 2.809 271 F HA 0.525 5.052 4.527 -0.000 0.000 0.369 271 F C 0.449 176.361 175.800 0.186 0.000 1.225 271 F CA -1.020 57.062 58.000 0.137 0.000 1.201 271 F CB 0.725 39.810 39.000 0.142 0.000 1.527 271 F HN 0.411 nan 8.300 nan 0.000 0.565 272 R N 4.778 125.414 120.500 0.228 0.000 2.445 272 R HA 0.594 4.934 4.340 -0.001 0.000 0.308 272 R C -1.173 175.233 176.300 0.177 0.000 0.961 272 R CA -0.844 55.328 56.100 0.120 0.000 0.862 272 R CB 2.907 33.258 30.300 0.084 0.000 1.144 272 R HN 0.592 nan 8.270 nan 0.000 0.447 273 I N 3.018 123.683 120.570 0.158 0.000 2.476 273 I HA 0.255 4.425 4.170 -0.001 0.000 0.281 273 I C -0.370 175.875 176.117 0.213 0.000 1.040 273 I CA -0.135 61.310 61.300 0.241 0.000 1.094 273 I CB 1.503 39.575 38.000 0.120 0.000 1.219 273 I HN 0.730 nan 8.210 nan 0.000 0.450 274 T N 2.986 117.663 114.554 0.205 0.000 2.870 274 T HA 0.283 4.633 4.350 -0.001 0.000 0.277 274 T C 0.878 175.690 174.700 0.186 0.000 1.000 274 T CA -0.256 61.946 62.100 0.170 0.000 0.982 274 T CB 1.049 70.010 68.868 0.155 0.000 1.249 274 T HN 0.496 nan 8.240 nan 0.000 0.589 275 Y N 1.291 121.590 120.300 -0.001 0.000 2.030 275 Y HA -0.162 4.388 4.550 -0.001 0.000 0.274 275 Y C 2.275 178.192 175.900 0.028 0.000 1.153 275 Y CA 2.381 60.478 58.100 -0.005 0.000 1.115 275 Y CB -0.951 37.479 38.460 -0.051 0.000 0.969 275 Y HN 0.740 nan 8.280 nan 0.000 0.488 276 D N -0.073 120.360 120.400 0.055 0.000 2.239 276 D HA -0.217 4.422 4.640 -0.001 0.000 0.202 276 D C 1.485 177.758 176.300 -0.044 0.000 0.993 276 D CA 1.639 55.612 54.000 -0.045 0.000 0.874 276 D CB -0.213 40.600 40.800 0.022 0.000 0.922 276 D HN 0.527 nan 8.370 nan 0.000 0.464 277 D N 0.784 121.200 120.400 0.027 0.000 2.091 277 D HA -0.021 4.618 4.640 -0.001 0.000 0.199 277 D C 1.275 177.648 176.300 0.121 0.000 0.980 277 D CA 0.201 54.252 54.000 0.086 0.000 0.831 277 D CB -0.171 40.745 40.800 0.194 0.000 0.987 277 D HN 0.228 nan 8.370 nan 0.000 0.460 278 L N 2.065 123.352 121.223 0.106 0.000 2.505 278 L HA 0.058 4.398 4.340 -0.001 0.000 0.275 278 L C 0.646 177.468 176.870 -0.080 0.000 1.264 278 L CA 0.179 55.060 54.840 0.069 0.000 1.148 278 L CB -0.418 41.692 42.059 0.084 0.000 1.377 278 L HN -0.034 nan 8.230 nan 0.000 0.442 279 E N 2.034 122.204 120.200 -0.050 0.000 2.214 279 E HA 0.483 4.833 4.350 -0.001 0.000 0.274 279 E C 0.156 176.702 176.600 -0.090 0.000 0.977 279 E CA -0.431 55.910 56.400 -0.100 0.000 0.827 279 E CB 1.605 31.266 29.700 -0.066 0.000 1.130 279 E HN 0.531 nan 8.360 nan 0.000 0.394 280 G N 1.745 110.480 108.800 -0.108 0.000 2.920 280 G HA2 0.051 4.011 3.960 -0.001 0.000 0.210 280 G HA3 0.051 4.011 3.960 -0.001 0.000 0.210 280 G C 0.432 175.247 174.900 -0.142 0.000 0.806 280 G CA 0.203 45.236 45.100 -0.111 0.000 0.853 280 G HN 1.143 nan 8.290 nan 0.000 0.333 281 G N 0.673 109.344 108.800 -0.214 0.000 2.511 281 G HA2 0.123 4.083 3.960 -0.001 0.000 0.205 281 G HA3 0.123 4.083 3.960 -0.001 0.000 0.205 281 G C -0.313 174.462 174.900 -0.208 0.000 1.098 281 G CA 0.002 44.976 45.100 -0.211 0.000 0.812 281 G HN 1.107 nan 8.290 nan 0.000 0.497 282 N N 0.218 118.730 118.700 -0.314 0.000 2.479 282 N HA 0.567 5.306 4.740 -0.001 0.000 0.285 282 N C 0.778 176.134 175.510 -0.257 0.000 1.075 282 N CA -0.552 52.374 53.050 -0.207 0.000 0.967 282 N CB 1.235 39.632 38.487 -0.149 0.000 1.137 282 N HN 0.316 nan 8.380 nan 0.000 0.472 283 I N 2.815 123.307 120.570 -0.130 0.000 2.752 283 I HA -0.011 4.159 4.170 -0.001 0.000 0.286 283 I C -1.881 174.281 176.117 0.076 0.000 1.180 283 I CA -0.996 60.247 61.300 -0.095 0.000 1.404 283 I CB 0.133 37.968 38.000 -0.276 0.000 1.389 283 I HN 0.267 nan 8.210 nan 0.000 0.549 284 P HA 0.066 nan 4.420 nan 0.000 0.270 284 P C -0.619 177.000 177.300 0.533 0.000 1.223 284 P CA -0.212 63.209 63.100 0.535 0.000 0.785 284 P CB 0.661 32.768 31.700 0.679 0.000 0.923 285 A N 2.462 125.548 122.820 0.443 0.000 2.302 285 A HA 0.415 4.735 4.320 -0.001 0.000 0.285 285 A C -0.135 177.559 177.584 0.183 0.000 1.105 285 A CA -0.573 51.669 52.037 0.341 0.000 0.816 285 A CB -0.250 18.901 19.000 0.251 0.000 1.067 285 A HN 0.490 nan 8.150 nan 0.000 0.489 286 L N 1.916 123.183 121.223 0.073 0.000 2.416 286 L HA 0.217 4.557 4.340 -0.001 0.000 0.272 286 L C 0.500 177.345 176.870 -0.041 0.000 1.161 286 L CA -0.195 54.582 54.840 -0.105 0.000 0.845 286 L CB 0.588 42.549 42.059 -0.165 0.000 1.119 286 L HN 0.752 nan 8.230 nan 0.000 0.464 287 L N 2.685 123.860 121.223 -0.079 0.000 2.439 287 L HA 0.151 4.490 4.340 -0.001 0.000 0.269 287 L C 0.385 177.214 176.870 -0.068 0.000 1.179 287 L CA -0.312 54.479 54.840 -0.083 0.000 0.828 287 L CB 0.765 42.741 42.059 -0.139 0.000 1.106 287 L HN 0.562 nan 8.230 nan 0.000 0.467 288 D N 3.326 123.699 120.400 -0.045 0.000 2.342 288 D HA 0.032 4.672 4.640 -0.001 0.000 0.260 288 D C 1.086 177.387 176.300 0.002 0.000 1.278 288 D CA -0.041 53.945 54.000 -0.024 0.000 0.910 288 D CB 1.365 42.160 40.800 -0.009 0.000 1.079 288 D HN 0.491 nan 8.370 nan 0.000 0.496 289 V N 4.330 124.239 119.914 -0.008 0.000 2.261 289 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 289 V C 2.010 178.147 176.094 0.072 0.000 1.047 289 V CA 1.400 63.710 62.300 0.017 0.000 1.015 289 V CB -0.295 31.527 31.823 -0.002 0.000 0.642 289 V HN 0.539 nan 8.190 nan 0.000 0.446 290 D N 0.640 121.063 120.400 0.038 0.000 2.078 290 D HA -0.150 4.489 4.640 -0.001 0.000 0.193 290 D C 2.316 178.642 176.300 0.043 0.000 0.990 290 D CA 1.809 55.829 54.000 0.034 0.000 0.827 290 D CB -0.412 40.393 40.800 0.008 0.000 0.975 290 D HN 0.395 nan 8.370 nan 0.000 0.451 291 A N 0.664 123.507 122.820 0.038 0.000 1.915 291 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 291 A C 2.226 179.844 177.584 0.057 0.000 1.198 291 A CA 1.954 54.011 52.037 0.033 0.000 0.647 291 A CB -1.293 17.726 19.000 0.031 0.000 0.825 291 A HN 0.386 nan 8.150 nan 0.000 0.456 292 Y N -0.144 120.137 120.300 -0.032 0.000 2.133 292 Y HA -0.221 4.329 4.550 -0.001 0.000 0.287 292 Y C 2.747 178.632 175.900 -0.026 0.000 1.134 292 Y CA 2.298 60.380 58.100 -0.030 0.000 1.133 292 Y CB -0.286 38.154 38.460 -0.033 0.000 0.987 292 Y HN 0.302 nan 8.280 nan 0.000 0.502 293 Q N 0.219 120.085 119.800 0.111 0.000 2.030 293 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 293 Q C 2.545 178.509 176.000 -0.061 0.000 0.986 293 Q CA 1.653 57.465 55.803 0.014 0.000 0.843 293 Q CB -1.042 27.735 28.738 0.065 0.000 0.904 293 Q HN 0.616 nan 8.270 nan 0.000 0.420 294 A N 0.650 123.450 122.820 -0.034 0.000 2.032 294 A HA -0.116 4.204 4.320 -0.001 0.000 0.221 294 A C 1.706 179.247 177.584 -0.072 0.000 1.165 294 A CA 1.279 53.290 52.037 -0.042 0.000 0.645 294 A CB -0.346 18.639 19.000 -0.025 0.000 0.807 294 A HN 0.307 nan 8.150 nan 0.000 0.453 295 S N -2.198 113.433 115.700 -0.115 0.000 2.686 295 S HA 0.507 4.977 4.470 -0.001 0.000 0.270 295 S C -0.167 174.329 174.600 -0.173 0.000 1.194 295 S CA 0.049 58.165 58.200 -0.139 0.000 0.990 295 S CB 0.417 63.519 63.200 -0.163 0.000 1.029 295 S HN 0.986 nan 8.310 nan 0.000 0.560 296 L N 0.832 121.965 121.223 -0.150 0.000 2.869 296 L HA -0.022 4.317 4.340 -0.001 0.000 0.656 296 L C 0.338 177.156 176.870 -0.087 0.000 1.328 296 L CA 0.995 55.754 54.840 -0.134 0.000 1.185 296 L CB -1.663 40.291 42.059 -0.175 0.000 1.974 296 L HN 0.896 nan 8.230 nan 0.000 0.851 297 K N -1.018 119.341 120.400 -0.069 0.000 2.826 297 K HA 0.219 4.539 4.320 -0.001 0.000 0.195 297 K C 0.309 176.884 176.600 -0.042 0.000 1.516 297 K CA 0.265 56.523 56.287 -0.049 0.000 1.213 297 K CB 0.927 33.400 32.500 -0.044 0.000 1.762 297 K HN 0.406 nan 8.250 nan 0.000 0.583 374 Q N 0.213 120.004 119.800 -0.016 0.000 1.882 374 Q HA 0.132 4.471 4.340 -0.001 0.000 0.188 374 Q C -0.376 175.610 176.000 -0.023 0.000 0.795 374 Q CA 0.100 55.891 55.803 -0.021 0.000 0.932 374 Q CB 0.902 29.628 28.738 -0.021 0.000 1.239 374 Q HN 0.622 nan 8.270 nan 0.000 0.406 375 K N 0.789 121.178 120.400 -0.018 0.000 2.604 375 K HA -0.073 4.247 4.320 -0.001 0.000 0.277 375 K C -0.287 176.299 176.600 -0.023 0.000 0.966 375 K CA 0.737 57.015 56.287 -0.016 0.000 0.991 375 K CB 0.515 33.008 32.500 -0.012 0.000 0.865 375 K HN -0.165 nan 8.250 nan 0.000 0.511 376 K N 0.962 121.354 120.400 -0.014 0.000 2.211 376 K HA 0.217 4.537 4.320 -0.001 0.000 0.237 376 K C -1.753 174.853 176.600 0.009 0.000 1.002 376 K CA -2.105 54.166 56.287 -0.027 0.000 0.885 376 K CB 1.132 33.617 32.500 -0.025 0.000 1.136 376 K HN 0.504 nan 8.250 nan 0.000 0.448 377 P HA -0.088 nan 4.420 nan 0.000 0.239 377 P C 1.093 178.481 177.300 0.147 0.000 1.184 377 P CA 0.474 63.605 63.100 0.051 0.000 0.760 377 P CB 0.128 31.836 31.700 0.013 0.000 0.884 378 V N 1.834 121.881 119.914 0.220 0.000 2.239 378 V HA -0.316 3.804 4.120 -0.001 0.000 0.246 378 V C 2.639 178.758 176.094 0.041 0.000 1.037 378 V CA 2.341 64.740 62.300 0.165 0.000 1.012 378 V CB -1.242 30.648 31.823 0.110 0.000 0.650 378 V HN 0.037 nan 8.190 nan 0.000 0.467 379 I N -0.876 119.702 120.570 0.013 0.000 2.310 379 I HA -0.358 3.812 4.170 -0.001 0.000 0.256 379 I C 1.417 177.523 176.117 -0.019 0.000 1.060 379 I CA 1.464 62.754 61.300 -0.017 0.000 1.362 379 I CB -0.607 37.384 38.000 -0.015 0.000 1.044 379 I HN 0.284 nan 8.210 nan 0.000 0.443 380 K N 3.303 123.702 120.400 -0.002 0.000 2.307 380 K HA 0.070 4.389 4.320 -0.001 0.000 0.285 380 K C -2.155 174.433 176.600 -0.019 0.000 1.073 380 K CA -1.290 54.992 56.287 -0.009 0.000 0.996 380 K CB 0.351 32.852 32.500 0.001 0.000 0.994 380 K HN 0.061 nan 8.250 nan 0.000 0.452 381 P HA 0.048 nan 4.420 nan 0.000 0.297 381 P C -0.411 176.873 177.300 -0.027 0.000 1.319 381 P CA -0.762 62.328 63.100 -0.017 0.000 0.810 381 P CB 0.980 32.680 31.700 -0.000 0.000 0.947 382 L N 3.912 125.109 121.223 -0.043 0.000 2.536 382 L HA -0.048 4.291 4.340 -0.001 0.000 0.294 382 L C 1.387 178.168 176.870 -0.148 0.000 1.257 382 L CA 1.706 56.483 54.840 -0.105 0.000 0.850 382 L CB -0.423 41.555 42.059 -0.135 0.000 1.105 382 L HN 0.468 nan 8.230 nan 0.000 0.517 383 T N 1.601 116.021 114.554 -0.224 0.000 2.987 383 T HA 0.272 4.622 4.350 -0.001 0.000 0.248 383 T C -0.081 174.377 174.700 -0.402 0.000 0.997 383 T CA 0.087 62.058 62.100 -0.216 0.000 1.013 383 T CB 0.390 69.190 68.868 -0.114 0.000 1.077 383 T HN 0.630 nan 8.240 nan 0.000 0.483 384 E N 0.181 120.097 120.200 -0.473 0.000 2.458 384 E HA 0.500 4.850 4.350 -0.001 0.000 0.278 384 E C -1.793 174.563 176.600 -0.408 0.000 1.004 384 E CA -0.809 55.313 56.400 -0.463 0.000 0.823 384 E CB 1.900 31.499 29.700 -0.169 0.000 1.396 384 E HN -0.076 nan 8.360 nan 0.000 0.463 385 D N -0.199 120.089 120.400 -0.187 0.000 2.671 385 D HA 0.232 4.871 4.640 -0.001 0.000 0.232 385 D C -1.052 175.260 176.300 0.019 0.000 1.114 385 D CA -0.502 53.467 54.000 -0.053 0.000 0.858 385 D CB 1.977 42.838 40.800 0.101 0.000 1.544 385 D HN 0.380 nan 8.370 nan 0.000 0.471 386 S N 2.436 118.146 115.700 0.017 0.000 4.273 386 S HA -0.191 4.279 4.470 -0.001 0.000 0.512 386 S C 0.461 175.090 174.600 0.047 0.000 1.063 386 S CA 0.922 59.138 58.200 0.026 0.000 0.904 386 S CB -0.142 63.077 63.200 0.032 0.000 0.778 386 S HN 0.609 nan 8.310 nan 0.000 0.467 387 K N 0.419 120.841 120.400 0.038 0.000 3.424 387 K HA -0.150 4.169 4.320 -0.001 0.000 0.297 387 K C -0.489 176.145 176.600 0.056 0.000 1.365 387 K CA 0.645 56.963 56.287 0.051 0.000 0.889 387 K CB -1.383 31.160 32.500 0.071 0.000 1.455 387 K HN 0.818 nan 8.250 nan 0.000 0.483 388 K N 0.875 121.295 120.400 0.033 0.000 4.789 388 K HA -0.268 4.052 4.320 -0.001 0.000 0.290 388 K C -0.690 175.937 176.600 0.045 0.000 0.798 388 K CA 1.160 57.458 56.287 0.017 0.000 0.860 388 K CB -0.899 31.606 32.500 0.008 0.000 1.852 388 K HN 0.319 nan 8.250 nan 0.000 0.413 389 R N 1.243 121.787 120.500 0.073 0.000 2.255 389 R HA 0.237 4.577 4.340 -0.001 0.000 0.326 389 R C -0.095 176.282 176.300 0.128 0.000 0.986 389 R CA -0.689 55.488 56.100 0.128 0.000 0.847 389 R CB 1.406 31.830 30.300 0.207 0.000 1.111 389 R HN 0.157 nan 8.270 nan 0.000 0.452 390 S N 2.286 118.046 115.700 0.099 0.000 2.549 390 S HA 0.003 4.473 4.470 -0.001 0.000 0.286 390 S C 0.027 174.750 174.600 0.205 0.000 1.314 390 S CA -0.123 58.126 58.200 0.082 0.000 1.062 390 S CB 0.226 63.446 63.200 0.034 0.000 0.865 390 S HN 0.489 nan 8.310 nan 0.000 0.498 391 Y N 1.783 122.028 120.300 -0.092 0.000 2.532 391 Y HA 0.195 4.745 4.550 -0.001 0.000 0.283 391 Y C 0.719 176.445 175.900 -0.289 0.000 1.181 391 Y CA -1.489 56.507 58.100 -0.173 0.000 1.256 391 Y CB -1.168 37.255 38.460 -0.062 0.000 1.112 391 Y HN 0.654 nan 8.280 nan 0.000 0.521 392 N N 1.223 119.881 118.700 -0.070 0.000 2.664 392 N HA -0.218 4.521 4.740 -0.001 0.000 0.296 392 N C -1.235 174.227 175.510 -0.080 0.000 1.153 392 N CA 0.425 53.406 53.050 -0.115 0.000 0.765 392 N CB -0.638 37.712 38.487 -0.228 0.000 0.962 392 N HN 0.126 nan 8.380 nan 0.000 0.564 393 L N 1.849 123.069 121.223 -0.005 0.000 2.312 393 L HA 0.352 4.692 4.340 -0.001 0.000 0.281 393 L C 2.080 178.971 176.870 0.036 0.000 1.070 393 L CA -0.251 54.609 54.840 0.033 0.000 0.805 393 L CB 0.817 42.906 42.059 0.051 0.000 1.174 393 L HN 0.402 nan 8.230 nan 0.000 0.434 394 I N 0.443 121.052 120.570 0.065 0.000 2.053 394 I HA -0.288 3.882 4.170 -0.001 0.000 0.236 394 I C 0.826 176.970 176.117 0.045 0.000 1.038 394 I CA 1.553 62.893 61.300 0.067 0.000 1.304 394 I CB 0.358 38.419 38.000 0.101 0.000 1.023 394 I HN 0.669 nan 8.210 nan 0.000 0.395 395 S N 0.446 116.169 115.700 0.037 0.000 2.704 395 S HA 0.204 4.674 4.470 -0.001 0.000 0.305 395 S C 0.539 175.145 174.600 0.011 0.000 1.107 395 S CA -0.235 57.977 58.200 0.020 0.000 0.993 395 S CB 1.544 64.751 63.200 0.012 0.000 1.110 395 S HN 0.566 nan 8.310 nan 0.000 0.534 396 N N 0.855 119.557 118.700 0.004 0.000 2.571 396 N HA -0.073 4.667 4.740 -0.001 0.000 0.189 396 N C 0.428 175.933 175.510 -0.008 0.000 1.154 396 N CA 0.700 53.749 53.050 -0.002 0.000 0.907 396 N CB -0.001 38.483 38.487 -0.004 0.000 0.977 396 N HN 0.534 nan 8.380 nan 0.000 0.449 397 D N 0.404 120.798 120.400 -0.010 0.000 2.844 397 D HA 0.090 4.730 4.640 -0.001 0.000 0.271 397 D C -0.275 176.003 176.300 -0.037 0.000 1.386 397 D CA 0.208 54.195 54.000 -0.023 0.000 1.053 397 D CB -0.030 40.757 40.800 -0.022 0.000 1.107 397 D HN 0.027 nan 8.370 nan 0.000 0.395 398 S N 0.202 115.877 115.700 -0.042 0.000 2.593 398 S HA -0.061 4.409 4.470 -0.001 0.000 0.303 398 S C 1.237 175.787 174.600 -0.083 0.000 1.267 398 S CA 0.723 58.872 58.200 -0.084 0.000 1.047 398 S CB 0.744 63.921 63.200 -0.039 0.000 0.777 398 S HN 0.468 nan 8.310 nan 0.000 0.498 399 T N 0.020 114.451 114.554 -0.205 0.000 3.148 399 T HA 0.200 4.550 4.350 -0.001 0.000 0.253 399 T C 0.175 174.922 174.700 0.079 0.000 1.134 399 T CA 0.246 62.270 62.100 -0.126 0.000 1.051 399 T CB -0.461 68.280 68.868 -0.211 0.000 0.959 399 T HN 0.469 nan 8.240 nan 0.000 0.525 400 F N 2.757 122.761 119.950 0.089 0.000 2.420 400 F HA 0.431 4.958 4.527 -0.001 0.000 0.342 400 F C 1.272 177.114 175.800 0.071 0.000 1.113 400 F CA -1.493 56.564 58.000 0.095 0.000 1.059 400 F CB 1.397 40.444 39.000 0.077 0.000 1.128 400 F HN 0.006 nan 8.300 nan 0.000 0.475 401 T N -0.268 114.451 114.554 0.276 0.000 2.849 401 T HA 0.122 4.472 4.350 -0.001 0.000 0.284 401 T C 0.691 175.439 174.700 0.079 0.000 1.004 401 T CA -0.563 61.602 62.100 0.109 0.000 1.021 401 T CB 1.435 70.315 68.868 0.019 0.000 1.013 401 T HN 0.726 nan 8.240 nan 0.000 0.527 402 Q N -0.157 119.641 119.800 -0.004 0.000 2.369 402 Q HA 0.040 4.379 4.340 -0.001 0.000 0.206 402 Q C -0.119 176.005 176.000 0.207 0.000 0.963 402 Q CA 0.582 56.441 55.803 0.094 0.000 0.894 402 Q CB -0.159 28.596 28.738 0.027 0.000 0.965 402 Q HN 0.701 nan 8.270 nan 0.000 0.475 403 Y N 1.481 121.776 120.300 -0.008 0.000 2.632 403 Y HA 0.006 4.555 4.550 -0.001 0.000 0.329 403 Y C 0.415 176.287 175.900 -0.047 0.000 1.174 403 Y CA -0.340 57.709 58.100 -0.084 0.000 1.469 403 Y CB 0.348 38.660 38.460 -0.247 0.000 1.242 403 Y HN -0.008 nan 8.280 nan 0.000 0.540 404 R N 2.256 122.872 120.500 0.193 0.000 2.494 404 R HA 0.337 4.677 4.340 -0.001 0.000 0.305 404 R C -0.754 175.562 176.300 0.027 0.000 0.959 404 R CA -0.677 55.475 56.100 0.087 0.000 0.864 404 R CB 2.025 32.389 30.300 0.107 0.000 1.159 404 R HN 0.480 nan 8.270 nan 0.000 0.446 405 S N 1.510 117.217 115.700 0.013 0.000 2.475 405 S HA 0.131 4.601 4.470 -0.001 0.000 0.298 405 S C 0.420 175.118 174.600 0.165 0.000 1.119 405 S CA -0.755 57.503 58.200 0.097 0.000 1.085 405 S CB 0.731 64.022 63.200 0.152 0.000 1.028 405 S HN 0.712 nan 8.310 nan 0.000 0.489 406 W N 5.451 126.812 121.300 0.100 0.000 2.353 406 W HA -0.151 4.508 4.660 -0.001 0.000 0.319 406 W C 1.656 178.257 176.519 0.136 0.000 1.207 406 W CA 1.820 59.227 57.345 0.103 0.000 1.291 406 W CB -0.991 28.524 29.460 0.091 0.000 1.159 406 W HN 0.971 nan 8.180 nan 0.000 0.478 407 Y N 0.774 121.060 120.300 -0.024 0.000 2.062 407 Y HA -0.379 4.170 4.550 -0.001 0.000 0.276 407 Y C 2.356 178.095 175.900 -0.268 0.000 1.189 407 Y CA 2.793 60.734 58.100 -0.265 0.000 1.130 407 Y CB -1.164 37.330 38.460 0.057 0.000 0.959 407 Y HN -0.002 nan 8.280 nan 0.000 0.499 408 L N -0.130 121.115 121.223 0.037 0.000 1.990 408 L HA -0.275 4.065 4.340 -0.001 0.000 0.213 408 L C 2.724 179.518 176.870 -0.126 0.000 1.072 408 L CA 2.171 57.042 54.840 0.052 0.000 0.755 408 L CB -1.586 40.524 42.059 0.084 0.000 0.889 408 L HN 0.365 nan 8.230 nan 0.000 0.432 409 A N -1.449 121.259 122.820 -0.187 0.000 1.842 409 A HA -0.345 3.975 4.320 -0.001 0.000 0.217 409 A C 2.300 179.684 177.584 -0.332 0.000 1.206 409 A CA 2.101 54.014 52.037 -0.208 0.000 0.630 409 A CB -1.382 17.532 19.000 -0.143 0.000 0.839 409 A HN 0.480 nan 8.150 nan 0.000 0.447 410 Y N 1.386 121.259 120.300 -0.711 0.000 2.062 410 Y HA -0.309 4.241 4.550 -0.001 0.000 0.276 410 Y C 2.377 177.885 175.900 -0.653 0.000 1.189 410 Y CA 2.595 60.236 58.100 -0.765 0.000 1.130 410 Y CB -0.222 37.450 38.460 -1.313 0.000 0.959 410 Y HN 0.386 nan 8.280 nan 0.000 0.499 411 N N -1.829 116.428 118.700 -0.738 0.000 2.333 411 N HA -0.121 4.619 4.740 -0.001 0.000 0.178 411 N C 1.256 176.233 175.510 -0.888 0.000 1.018 411 N CA 1.529 54.026 53.050 -0.921 0.000 0.882 411 N CB -0.250 37.444 38.487 -1.322 0.000 0.984 411 N HN 0.499 nan 8.380 nan 0.000 0.434 412 Y N -0.001 120.090 120.300 -0.349 0.000 2.535 412 Y HA 0.332 4.882 4.550 -0.001 0.000 0.264 412 Y C 1.598 177.360 175.900 -0.230 0.000 1.087 412 Y CA -0.460 57.477 58.100 -0.272 0.000 1.285 412 Y CB 0.442 38.742 38.460 -0.267 0.000 1.200 412 Y HN -0.128 nan 8.280 nan 0.000 0.514 413 G N 0.374 109.109 108.800 -0.108 0.000 2.348 413 G HA2 0.133 4.093 3.960 -0.001 0.000 0.312 413 G HA3 0.133 4.093 3.960 -0.001 0.000 0.312 413 G C -0.909 173.919 174.900 -0.120 0.000 1.126 413 G CA -0.442 44.598 45.100 -0.100 0.000 0.865 413 G HN 0.095 nan 8.290 nan 0.000 0.474 414 D N 2.278 122.627 120.400 -0.085 0.000 7.547 414 D HA -0.129 4.511 4.640 -0.001 0.000 0.125 414 D C -1.214 175.023 176.300 -0.105 0.000 1.148 414 D CA -0.258 53.695 54.000 -0.078 0.000 0.811 414 D CB 0.902 41.674 40.800 -0.047 0.000 1.599 414 D HN 0.075 nan 8.370 nan 0.000 0.920 415 P HA -0.091 nan 4.420 nan 0.000 0.219 415 P C 1.005 178.246 177.300 -0.098 0.000 1.150 415 P CA 1.062 64.061 63.100 -0.169 0.000 0.814 415 P CB 0.193 31.781 31.700 -0.187 0.000 0.787 416 Q N -2.074 117.690 119.800 -0.060 0.000 2.451 416 Q HA 0.066 4.405 4.340 -0.001 0.000 0.206 416 Q C 1.085 177.086 176.000 0.002 0.000 0.947 416 Q CA 0.979 56.767 55.803 -0.025 0.000 0.937 416 Q CB -0.005 28.720 28.738 -0.023 0.000 1.025 416 Q HN 0.201 nan 8.270 nan 0.000 0.511 417 T N -1.215 113.340 114.554 0.002 0.000 3.057 417 T HA 0.134 4.484 4.350 -0.001 0.000 0.254 417 T C 0.859 175.595 174.700 0.060 0.000 0.965 417 T CA 0.270 62.385 62.100 0.025 0.000 0.978 417 T CB 0.314 69.184 68.868 0.004 0.000 1.169 417 T HN 0.365 nan 8.240 nan 0.000 0.489 418 G N 1.105 109.924 108.800 0.032 0.000 2.518 418 G HA2 0.236 4.196 3.960 -0.001 0.000 0.284 418 G HA3 0.236 4.196 3.960 -0.001 0.000 0.284 418 G C 0.993 176.018 174.900 0.208 0.000 1.362 418 G CA -0.336 44.802 45.100 0.063 0.000 1.065 418 G HN 0.340 nan 8.290 nan 0.000 0.561 419 I N -0.581 120.136 120.570 0.245 0.000 2.493 419 I HA -0.117 4.053 4.170 -0.001 0.000 0.254 419 I C 2.826 179.040 176.117 0.162 0.000 1.160 419 I CA 0.933 62.481 61.300 0.414 0.000 1.445 419 I CB -0.240 38.018 38.000 0.430 0.000 1.086 419 I HN 0.476 nan 8.210 nan 0.000 0.433 420 R N 1.132 121.611 120.500 -0.036 0.000 2.226 420 R HA -0.220 4.119 4.340 -0.001 0.000 0.246 420 R C 2.284 178.533 176.300 -0.086 0.000 1.161 420 R CA 1.809 57.702 56.100 -0.346 0.000 0.997 420 R CB -0.323 29.579 30.300 -0.663 0.000 0.870 420 R HN 0.364 nan 8.270 nan 0.000 0.465 421 S N -0.237 115.506 115.700 0.072 0.000 2.317 421 S HA -0.097 4.373 4.470 -0.001 0.000 0.212 421 S C 1.535 176.269 174.600 0.224 0.000 1.030 421 S CA 0.872 59.161 58.200 0.149 0.000 0.970 421 S CB -0.489 62.837 63.200 0.209 0.000 0.928 421 S HN 0.674 nan 8.310 nan 0.000 0.451 422 W N 2.034 123.404 121.300 0.117 0.000 3.256 422 W HA 0.389 5.049 4.660 -0.001 0.000 0.269 422 W C 0.487 177.117 176.519 0.185 0.000 1.310 422 W CA 0.157 57.581 57.345 0.132 0.000 1.673 422 W CB -1.747 27.788 29.460 0.126 0.000 1.115 422 W HN 0.275 nan 8.180 nan 0.000 0.686 423 T N 1.443 115.777 114.554 -0.368 0.000 2.888 423 T HA 0.617 4.967 4.350 -0.001 0.000 0.288 423 T C -1.567 173.160 174.700 0.046 0.000 1.063 423 T CA -0.515 61.401 62.100 -0.307 0.000 1.010 423 T CB 1.795 70.425 68.868 -0.398 0.000 1.214 423 T HN -0.029 nan 8.240 nan 0.000 0.533 424 L N 3.088 124.304 121.223 -0.012 0.000 2.438 424 L HA 0.714 5.053 4.340 -0.001 0.000 0.270 424 L C -1.558 175.228 176.870 -0.140 0.000 0.972 424 L CA -0.881 53.967 54.840 0.012 0.000 0.831 424 L CB 1.632 43.686 42.059 -0.009 0.000 1.273 424 L HN 0.592 nan 8.230 nan 0.000 0.405 425 L N 6.385 127.413 121.223 -0.325 0.000 2.319 425 L HA 0.745 5.085 4.340 -0.001 0.000 0.280 425 L C -0.462 176.354 176.870 -0.089 0.000 1.099 425 L CA 0.143 54.798 54.840 -0.307 0.000 0.828 425 L CB 0.195 41.868 42.059 -0.643 0.000 1.150 425 L HN 0.920 nan 8.230 nan 0.000 0.442 426 C N 0.279 119.583 119.300 0.008 0.000 3.321 426 C HA 0.568 5.028 4.460 -0.001 0.000 0.329 426 C C 0.336 175.414 174.990 0.146 0.000 1.394 426 C CA -0.982 58.074 59.018 0.064 0.000 1.291 426 C CB 0.765 28.507 27.740 0.003 0.000 1.606 426 C HN 0.814 nan 8.230 nan 0.000 0.463 427 T N 3.417 118.021 114.554 0.082 0.000 2.946 427 T HA 0.166 4.515 4.350 -0.001 0.000 0.312 427 T C -1.360 173.331 174.700 -0.014 0.000 1.066 427 T CA 0.544 62.672 62.100 0.047 0.000 1.138 427 T CB 0.296 69.174 68.868 0.018 0.000 1.014 427 T HN 0.679 nan 8.240 nan 0.000 0.544 428 P HA -0.122 nan 4.420 nan 0.000 0.205 428 P C 0.111 177.356 177.300 -0.091 0.000 1.181 428 P CA 1.096 64.123 63.100 -0.122 0.000 0.933 428 P CB 0.062 31.675 31.700 -0.144 0.000 0.775 429 D N -1.892 118.470 120.400 -0.064 0.000 5.036 429 D HA -0.109 4.531 4.640 -0.001 0.000 0.231 429 D C 0.661 176.930 176.300 -0.051 0.000 1.396 429 D CA 0.509 54.481 54.000 -0.047 0.000 1.180 429 D CB -0.455 40.316 40.800 -0.048 0.000 0.614 429 D HN 0.060 nan 8.370 nan 0.000 0.300 430 V N 2.691 122.586 119.914 -0.031 0.000 2.379 430 V HA -0.182 3.938 4.120 -0.001 0.000 0.245 430 V C 2.726 178.802 176.094 -0.029 0.000 1.044 430 V CA 2.901 65.183 62.300 -0.030 0.000 1.036 430 V CB -1.306 30.512 31.823 -0.008 0.000 0.664 430 V HN 0.835 nan 8.190 nan 0.000 0.453 431 T N -2.672 111.871 114.554 -0.017 0.000 2.882 431 T HA -0.352 3.998 4.350 -0.001 0.000 0.268 431 T C 1.418 176.106 174.700 -0.020 0.000 1.104 431 T CA 1.659 63.750 62.100 -0.016 0.000 1.118 431 T CB -1.417 67.454 68.868 0.005 0.000 0.831 431 T HN 1.169 nan 8.240 nan 0.000 0.529 432 C N -0.360 118.922 119.300 -0.030 0.000 4.933 432 C HA 0.100 4.559 4.460 -0.001 0.000 0.249 432 C C 1.145 176.117 174.990 -0.031 0.000 1.406 432 C CA 0.521 59.519 59.018 -0.034 0.000 1.505 432 C CB -2.107 25.628 27.740 -0.010 0.000 1.870 432 C HN 1.832 nan 8.230 nan 0.000 0.651 433 G N 0.010 108.796 108.800 -0.024 0.000 2.693 433 G HA2 0.365 4.324 3.960 -0.001 0.000 0.290 433 G HA3 0.365 4.324 3.960 -0.001 0.000 0.290 433 G C -0.507 174.391 174.900 -0.004 0.000 1.378 433 G CA 0.017 45.103 45.100 -0.023 0.000 1.120 433 G HN 0.858 nan 8.290 nan 0.000 0.609 434 S N 2.483 118.182 115.700 -0.002 0.000 2.571 434 S HA 0.301 4.771 4.470 -0.001 0.000 0.297 434 S C 0.376 174.987 174.600 0.018 0.000 1.234 434 S CA 0.060 58.270 58.200 0.016 0.000 1.120 434 S CB 0.830 64.037 63.200 0.012 0.000 0.923 434 S HN 0.548 nan 8.310 nan 0.000 0.504 435 E N 2.535 122.749 120.200 0.023 0.000 2.235 435 E HA 0.324 4.674 4.350 -0.001 0.000 0.265 435 E C 0.120 176.725 176.600 0.009 0.000 0.940 435 E CA -0.824 55.584 56.400 0.013 0.000 0.819 435 E CB 1.174 30.882 29.700 0.013 0.000 1.206 435 E HN 0.665 nan 8.360 nan 0.000 0.409 436 Q N 0.129 119.914 119.800 -0.026 0.000 2.252 436 Q HA 0.642 4.982 4.340 -0.001 0.000 0.256 436 Q C -0.286 175.604 176.000 -0.184 0.000 1.020 436 Q CA -0.967 54.813 55.803 -0.038 0.000 0.913 436 Q CB 1.319 30.076 28.738 0.032 0.000 1.286 436 Q HN 0.262 nan 8.270 nan 0.000 0.480 437 V N -2.229 117.598 119.914 -0.146 0.000 3.001 437 V HA 0.667 4.787 4.120 -0.001 0.000 0.314 437 V C -1.188 174.856 176.094 -0.083 0.000 1.099 437 V CA -1.079 61.082 62.300 -0.233 0.000 0.989 437 V CB 1.646 33.383 31.823 -0.143 0.000 1.040 437 V HN 0.792 nan 8.190 nan 0.000 0.434 438 Y N 0.073 120.381 120.300 0.013 0.000 2.350 438 Y HA 0.564 5.114 4.550 -0.000 0.000 0.338 438 Y C -0.610 175.303 175.900 0.021 0.000 0.961 438 Y CA -0.713 57.435 58.100 0.080 0.000 1.100 438 Y CB 1.799 40.337 38.460 0.130 0.000 1.179 438 Y HN 0.701 nan 8.280 nan 0.000 0.454 439 W N 1.844 123.240 121.300 0.161 0.000 2.215 439 W HA 0.564 5.224 4.660 -0.000 0.000 0.342 439 W C -0.475 176.071 176.519 0.045 0.000 1.237 439 W CA -0.093 57.281 57.345 0.048 0.000 1.283 439 W CB 1.392 30.778 29.460 -0.124 0.000 1.131 439 W HN 0.341 nan 8.180 nan 0.000 0.606 440 S N 1.526 117.410 115.700 0.306 0.000 2.562 440 S HA 0.511 4.981 4.470 -0.001 0.000 0.274 440 S C -1.049 173.585 174.600 0.056 0.000 1.160 440 S CA -0.937 57.361 58.200 0.163 0.000 0.933 440 S CB 0.637 63.983 63.200 0.243 0.000 1.100 440 S HN 0.437 nan 8.310 nan 0.000 0.468 441 L N 2.126 123.324 121.223 -0.041 0.000 2.913 441 L HA 0.308 4.648 4.340 -0.001 0.000 0.283 441 L C -2.133 174.635 176.870 -0.170 0.000 1.336 441 L CA -1.928 52.850 54.840 -0.104 0.000 0.815 441 L CB 0.798 42.812 42.059 -0.076 0.000 1.188 441 L HN 0.389 nan 8.230 nan 0.000 0.551 442 P HA -0.254 nan 4.420 nan 0.000 0.222 442 P C 0.769 177.934 177.300 -0.226 0.000 1.155 442 P CA 1.616 64.515 63.100 -0.334 0.000 0.890 442 P CB 0.206 31.445 31.700 -0.768 0.000 0.790 443 D N -2.447 117.822 120.400 -0.217 0.000 2.355 443 D HA 0.038 4.678 4.640 -0.001 0.000 0.218 443 D C 1.495 177.731 176.300 -0.107 0.000 1.004 443 D CA 0.663 54.576 54.000 -0.144 0.000 0.880 443 D CB 0.080 40.800 40.800 -0.135 0.000 0.911 443 D HN 0.291 nan 8.370 nan 0.000 0.528 444 M N -0.656 118.879 119.600 -0.108 0.000 2.231 444 M HA 0.171 4.651 4.480 -0.001 0.000 0.347 444 M C -0.908 175.346 176.300 -0.078 0.000 0.901 444 M CA 0.244 55.490 55.300 -0.090 0.000 1.064 444 M CB 1.011 33.556 32.600 -0.092 0.000 1.861 444 M HN -0.250 nan 8.290 nan 0.000 0.638 445 M N 1.212 120.765 119.600 -0.078 0.000 2.378 445 M HA 0.348 4.827 4.480 -0.001 0.000 0.289 445 M C -0.893 175.373 176.300 -0.057 0.000 1.136 445 M CA -0.511 54.751 55.300 -0.063 0.000 0.917 445 M CB 2.557 35.113 32.600 -0.073 0.000 1.669 445 M HN -0.017 nan 8.290 nan 0.000 0.461 446 Q N 1.929 121.708 119.800 -0.036 0.000 2.315 446 Q HA -0.009 4.331 4.340 -0.001 0.000 0.289 446 Q C -0.762 175.207 176.000 -0.052 0.000 1.044 446 Q CA 0.624 56.410 55.803 -0.028 0.000 0.920 446 Q CB 0.570 29.304 28.738 -0.007 0.000 1.214 446 Q HN 0.364 nan 8.270 nan 0.000 0.392 447 D N 6.626 127.006 120.400 -0.034 0.000 2.348 447 D HA 0.096 4.736 4.640 -0.001 0.000 0.259 447 D C -2.193 174.067 176.300 -0.068 0.000 1.296 447 D CA -1.145 52.831 54.000 -0.040 0.000 0.931 447 D CB 0.230 41.056 40.800 0.044 0.000 1.067 447 D HN 0.302 nan 8.370 nan 0.000 0.503 448 P HA -0.154 nan 4.420 nan 0.000 0.263 448 P C 1.242 178.491 177.300 -0.085 0.000 1.162 448 P CA -0.119 62.847 63.100 -0.224 0.000 0.758 448 P CB 0.696 32.114 31.700 -0.470 0.000 0.773 449 V N 2.475 122.373 119.914 -0.027 0.000 2.445 449 V HA -0.434 3.686 4.120 -0.001 0.000 0.191 449 V C 2.188 178.350 176.094 0.114 0.000 0.905 449 V CA 3.099 65.423 62.300 0.041 0.000 1.297 449 V CB -2.428 29.419 31.823 0.041 0.000 0.958 449 V HN 0.861 nan 8.190 nan 0.000 0.491 450 T N -2.694 111.976 114.554 0.193 0.000 3.148 450 T HA 0.155 4.505 4.350 -0.001 0.000 0.253 450 T C 0.212 175.051 174.700 0.233 0.000 1.134 450 T CA 0.014 62.220 62.100 0.177 0.000 1.051 450 T CB -0.480 68.458 68.868 0.118 0.000 0.959 450 T HN 0.165 nan 8.240 nan 0.000 0.525 451 F N 2.656 122.605 119.950 -0.003 0.000 2.529 451 F HA 0.428 4.955 4.527 -0.001 0.000 0.365 451 F C 1.055 176.864 175.800 0.015 0.000 1.102 451 F CA -1.413 56.591 58.000 0.007 0.000 1.271 451 F CB 0.358 39.363 39.000 0.009 0.000 1.120 451 F HN 0.050 nan 8.300 nan 0.000 0.579 452 R N 1.240 121.818 120.500 0.130 0.000 2.459 452 R HA 0.380 4.720 4.340 -0.001 0.000 0.281 452 R C -0.231 176.146 176.300 0.128 0.000 1.050 452 R CA -0.397 55.758 56.100 0.091 0.000 1.055 452 R CB 1.022 31.341 30.300 0.031 0.000 1.045 452 R HN 0.673 nan 8.270 nan 0.000 0.495 453 S N 1.607 117.370 115.700 0.105 0.000 2.513 453 S HA 0.329 4.799 4.470 -0.001 0.000 0.276 453 S C -0.509 174.159 174.600 0.113 0.000 1.254 453 S CA -0.097 58.170 58.200 0.111 0.000 1.053 453 S CB 1.048 64.293 63.200 0.075 0.000 0.958 453 S HN 0.670 nan 8.310 nan 0.000 0.491 454 T N 1.521 116.174 114.554 0.165 0.000 2.645 454 T HA 0.523 4.872 4.350 -0.001 0.000 0.300 454 T C 0.119 174.975 174.700 0.260 0.000 1.210 454 T CA 0.086 62.284 62.100 0.164 0.000 1.034 454 T CB 0.797 69.739 68.868 0.124 0.000 1.537 454 T HN 0.672 nan 8.240 nan 0.000 0.492 455 S N -0.269 115.560 115.700 0.215 0.000 2.733 455 S HA 0.251 4.721 4.470 -0.001 0.000 0.247 455 S C 0.416 175.088 174.600 0.121 0.000 1.043 455 S CA -0.313 58.057 58.200 0.284 0.000 1.066 455 S CB -0.061 63.236 63.200 0.161 0.000 1.045 455 S HN 0.681 nan 8.310 nan 0.000 0.586 456 Q N 2.107 121.889 119.800 -0.030 0.000 2.381 456 Q HA 0.354 4.693 4.340 -0.001 0.000 0.243 456 Q C 0.774 176.439 176.000 -0.558 0.000 1.154 456 Q CA -0.249 55.444 55.803 -0.183 0.000 0.899 456 Q CB -0.029 28.646 28.738 -0.105 0.000 1.396 456 Q HN 0.463 nan 8.270 nan 0.000 0.485 457 I N 2.074 122.219 120.570 -0.708 0.000 2.227 457 I HA -0.403 3.767 4.170 -0.001 0.000 0.250 457 I C 1.625 177.294 176.117 -0.747 0.000 1.087 457 I CA 1.850 62.483 61.300 -1.112 0.000 1.352 457 I CB -0.323 37.437 38.000 -0.401 0.000 1.043 457 I HN 0.635 nan 8.210 nan 0.000 0.425 458 S N -0.752 114.726 115.700 -0.370 0.000 2.840 458 S HA 0.022 4.492 4.470 -0.001 0.000 0.235 458 S C 0.753 175.272 174.600 -0.135 0.000 0.968 458 S CA -0.002 58.090 58.200 -0.181 0.000 1.026 458 S CB -0.522 62.620 63.200 -0.097 0.000 0.788 458 S HN 0.623 nan 8.310 nan 0.000 0.487 459 N N -0.592 117.990 118.700 -0.197 0.000 2.036 459 N HA 0.174 4.913 4.740 -0.001 0.000 0.224 459 N C -0.925 174.639 175.510 0.090 0.000 1.381 459 N CA -0.248 52.770 53.050 -0.053 0.000 0.746 459 N CB 0.268 38.720 38.487 -0.058 0.000 1.213 459 N HN 0.132 nan 8.380 nan 0.000 0.524 460 F N 2.129 122.135 119.950 0.094 0.000 2.640 460 F HA 0.186 4.713 4.527 -0.000 0.000 0.329 460 F C -1.624 174.305 175.800 0.215 0.000 1.224 460 F CA -1.023 57.049 58.000 0.120 0.000 1.373 460 F CB -0.464 38.597 39.000 0.101 0.000 1.129 460 F HN -0.011 nan 8.300 nan 0.000 0.610 461 P HA 0.233 nan 4.420 nan 0.000 0.274 461 P C -1.118 176.320 177.300 0.230 0.000 1.231 461 P CA -0.189 63.200 63.100 0.482 0.000 0.790 461 P CB 0.884 32.699 31.700 0.191 0.000 0.951 462 V N 2.610 122.501 119.914 -0.037 0.000 2.459 462 V HA 0.180 4.300 4.120 -0.001 0.000 0.295 462 V C 1.194 177.133 176.094 -0.258 0.000 1.029 462 V CA -0.205 62.054 62.300 -0.067 0.000 0.874 462 V CB 1.632 33.445 31.823 -0.017 0.000 0.985 462 V HN 0.475 nan 8.190 nan 0.000 0.438 463 V N 1.009 120.862 119.914 -0.102 0.000 3.635 463 V HA 0.700 4.820 4.120 -0.001 0.000 0.266 463 V C 0.645 176.678 176.094 -0.102 0.000 1.316 463 V CA 0.769 62.987 62.300 -0.137 0.000 1.060 463 V CB 0.383 32.134 31.823 -0.120 0.000 0.820 463 V HN 0.920 nan 8.190 nan 0.000 0.447 464 G N -0.415 108.368 108.800 -0.029 0.000 2.759 464 G HA2 0.762 4.721 3.960 -0.001 0.000 0.297 464 G HA3 0.762 4.721 3.960 -0.001 0.000 0.297 464 G C -1.182 173.897 174.900 0.299 0.000 1.434 464 G CA -0.071 45.040 45.100 0.018 0.000 0.980 464 G HN 0.774 nan 8.290 nan 0.000 0.531 465 A N 0.899 123.948 122.820 0.383 0.000 2.356 465 A HA 0.988 5.308 4.320 -0.001 0.000 0.323 465 A C -0.353 177.511 177.584 0.467 0.000 1.119 465 A CA -0.581 51.748 52.037 0.487 0.000 0.790 465 A CB 2.020 21.276 19.000 0.425 0.000 1.273 465 A HN 1.118 nan 8.150 nan 0.000 0.452 466 E N 1.272 121.715 120.200 0.405 0.000 2.388 466 E HA 0.378 4.728 4.350 -0.001 0.000 0.282 466 E C -1.989 174.742 176.600 0.218 0.000 1.026 466 E CA -0.791 55.809 56.400 0.332 0.000 0.820 466 E CB 0.980 30.971 29.700 0.484 0.000 1.226 466 E HN 0.499 nan 8.360 nan 0.000 0.432 467 L N 3.060 124.389 121.223 0.176 0.000 2.455 467 L HA 0.148 4.487 4.340 -0.001 0.000 0.272 467 L C -0.193 176.752 176.870 0.126 0.000 1.174 467 L CA -0.119 54.798 54.840 0.130 0.000 0.869 467 L CB 0.675 42.808 42.059 0.124 0.000 1.130 467 L HN 0.577 nan 8.230 nan 0.000 0.474 468 L N 8.857 130.130 121.223 0.083 0.000 2.597 468 L HA 0.216 4.556 4.340 -0.001 0.000 0.271 468 L C -1.768 175.152 176.870 0.084 0.000 1.157 468 L CA -1.456 53.424 54.840 0.067 0.000 0.928 468 L CB -0.343 41.739 42.059 0.039 0.000 1.216 468 L HN 0.497 nan 8.230 nan 0.000 0.481 469 P HA -0.114 nan 4.420 nan 0.000 0.091 469 P C -1.233 176.060 177.300 -0.012 0.000 0.876 469 P CA 0.639 63.768 63.100 0.048 0.000 0.944 469 P CB -0.476 31.254 31.700 0.051 0.000 1.605 470 V N 0.563 120.525 119.914 0.080 0.000 2.668 470 V HA 0.347 4.467 4.120 -0.001 0.000 0.304 470 V C -0.023 176.259 176.094 0.312 0.000 1.071 470 V CA -0.724 61.621 62.300 0.075 0.000 0.894 470 V CB 1.884 33.730 31.823 0.038 0.000 1.008 470 V HN 0.294 nan 8.190 nan 0.000 0.425 471 H N 1.399 120.478 119.070 0.016 0.000 2.812 471 H HA 0.731 5.287 4.556 -0.001 0.000 0.355 471 H C -0.365 174.970 175.328 0.013 0.000 1.207 471 H CA -0.957 55.099 56.048 0.013 0.000 1.217 471 H CB 2.308 32.080 29.762 0.017 0.000 1.874 471 H HN 0.654 nan 8.280 nan 0.000 0.581 472 S N 1.584 117.369 115.700 0.142 0.000 2.566 472 S HA 0.289 4.759 4.470 -0.001 0.000 0.324 472 S C -0.438 174.201 174.600 0.065 0.000 1.081 472 S CA -1.077 57.175 58.200 0.086 0.000 1.105 472 S CB 1.240 64.466 63.200 0.044 0.000 0.981 472 S HN 0.345 nan 8.310 nan 0.000 0.464 473 K N 2.111 122.564 120.400 0.090 0.000 2.185 473 K HA 0.474 4.794 4.320 -0.001 0.000 0.271 473 K C -0.337 176.240 176.600 -0.038 0.000 1.013 473 K CA -0.194 56.083 56.287 -0.017 0.000 0.943 473 K CB 1.526 34.044 32.500 0.029 0.000 0.998 473 K HN 0.718 nan 8.250 nan 0.000 0.468 474 S N 2.386 117.912 115.700 -0.289 0.000 2.503 474 S HA 0.671 5.141 4.470 -0.001 0.000 0.301 474 S C -0.967 173.364 174.600 -0.448 0.000 1.087 474 S CA -0.671 57.434 58.200 -0.157 0.000 1.042 474 S CB 0.641 63.794 63.200 -0.079 0.000 1.043 474 S HN 0.336 nan 8.310 nan 0.000 0.489 475 F N 0.983 120.956 119.950 0.039 0.000 2.588 475 F HA 0.422 4.949 4.527 -0.001 0.000 0.314 475 F C -0.567 175.296 175.800 0.104 0.000 1.069 475 F CA -1.196 56.840 58.000 0.060 0.000 0.931 475 F CB 0.853 39.871 39.000 0.030 0.000 1.260 475 F HN 0.543 nan 8.300 nan 0.000 0.465 476 Y N 2.118 122.518 120.300 0.167 0.000 2.359 476 Y HA 0.345 4.895 4.550 -0.001 0.000 0.334 476 Y C -0.244 175.703 175.900 0.079 0.000 1.058 476 Y CA -1.002 57.150 58.100 0.086 0.000 1.244 476 Y CB 0.410 38.900 38.460 0.050 0.000 1.187 476 Y HN 0.535 nan 8.280 nan 0.000 0.510 477 N N 5.354 123.752 118.700 -0.504 0.000 2.437 477 N HA 0.110 4.850 4.740 -0.001 0.000 0.243 477 N C 0.223 175.320 175.510 -0.689 0.000 1.041 477 N CA -0.014 52.756 53.050 -0.467 0.000 0.940 477 N CB 0.530 38.887 38.487 -0.217 0.000 1.133 477 N HN 0.684 nan 8.380 nan 0.000 0.506 478 D N 1.297 121.416 120.400 -0.469 0.000 2.183 478 D HA -0.134 4.506 4.640 -0.001 0.000 0.205 478 D C 1.058 177.293 176.300 -0.109 0.000 0.962 478 D CA 0.631 54.453 54.000 -0.297 0.000 0.849 478 D CB 0.248 40.953 40.800 -0.158 0.000 0.978 478 D HN 0.662 nan 8.370 nan 0.000 0.488 479 Q N 0.792 120.544 119.800 -0.079 0.000 2.576 479 Q HA -0.103 4.236 4.340 -0.001 0.000 0.218 479 Q C 1.566 177.650 176.000 0.140 0.000 0.983 479 Q CA 0.458 56.324 55.803 0.106 0.000 0.920 479 Q CB 0.090 28.838 28.738 0.018 0.000 0.973 479 Q HN 0.134 nan 8.270 nan 0.000 0.528 480 A N -0.024 122.795 122.820 -0.001 0.000 1.845 480 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 480 A C 1.977 179.565 177.584 0.005 0.000 1.195 480 A CA 1.714 53.737 52.037 -0.022 0.000 0.616 480 A CB -0.845 18.113 19.000 -0.070 0.000 0.832 480 A HN 0.383 nan 8.150 nan 0.000 0.443 481 V N -1.137 118.790 119.914 0.021 0.000 2.685 481 V HA -0.068 4.052 4.120 -0.001 0.000 0.244 481 V C 2.259 178.345 176.094 -0.013 0.000 1.054 481 V CA 1.586 63.891 62.300 0.008 0.000 1.076 481 V CB -0.728 31.109 31.823 0.025 0.000 0.725 481 V HN 0.713 nan 8.190 nan 0.000 0.467 482 Y N 2.444 122.735 120.300 -0.015 0.000 2.172 482 Y HA -0.348 4.202 4.550 -0.001 0.000 0.280 482 Y C 2.432 178.336 175.900 0.008 0.000 1.209 482 Y CA 2.580 60.677 58.100 -0.006 0.000 1.171 482 Y CB -1.039 37.409 38.460 -0.021 0.000 0.965 482 Y HN 0.450 nan 8.280 nan 0.000 0.520 483 S N -0.651 114.499 115.700 -0.917 0.000 2.489 483 S HA -0.164 4.306 4.470 -0.001 0.000 0.228 483 S C 1.848 176.232 174.600 -0.361 0.000 0.995 483 S CA 0.745 58.433 58.200 -0.853 0.000 0.934 483 S CB -0.458 62.478 63.200 -0.438 0.000 0.771 483 S HN 0.781 nan 8.310 nan 0.000 0.522 484 Q N 0.589 120.264 119.800 -0.209 0.000 2.472 484 Q HA 0.222 4.561 4.340 -0.001 0.000 0.208 484 Q C 0.556 176.532 176.000 -0.040 0.000 0.958 484 Q CA 0.500 56.249 55.803 -0.090 0.000 0.932 484 Q CB -0.043 28.669 28.738 -0.043 0.000 1.007 484 Q HN 0.601 nan 8.270 nan 0.000 0.508 485 L N 0.739 121.928 121.223 -0.058 0.000 3.141 485 L HA 0.341 4.681 4.340 -0.001 0.000 0.263 485 L C 0.537 177.472 176.870 0.108 0.000 1.312 485 L CA -0.020 54.876 54.840 0.094 0.000 1.012 485 L CB 0.501 42.608 42.059 0.079 0.000 1.408 485 L HN 0.225 nan 8.230 nan 0.000 0.559 486 I N -0.769 119.833 120.570 0.054 0.000 5.285 486 I HA -0.040 4.130 4.170 -0.001 0.000 0.351 486 I C 1.867 178.024 176.117 0.065 0.000 1.206 486 I CA 0.236 61.567 61.300 0.053 0.000 1.527 486 I CB 0.618 38.550 38.000 -0.113 0.000 1.694 486 I HN 0.321 nan 8.210 nan 0.000 0.585 487 R N 1.135 121.635 120.500 0.000 0.000 2.362 487 R HA 0.144 4.484 4.340 -0.001 0.000 0.227 487 R C 1.544 177.832 176.300 -0.020 0.000 0.905 487 R CA 0.279 56.370 56.100 -0.015 0.000 1.067 487 R CB 0.023 30.295 30.300 -0.047 0.000 1.078 487 R HN 0.297 nan 8.270 nan 0.000 0.516 488 Q N 0.389 120.176 119.800 -0.022 0.000 2.402 488 Q HA 0.116 4.456 4.340 -0.001 0.000 0.206 488 Q C -0.628 175.152 176.000 -0.365 0.000 0.919 488 Q CA 0.382 56.085 55.803 -0.168 0.000 0.923 488 Q CB 0.402 29.037 28.738 -0.172 0.000 1.048 488 Q HN 0.311 nan 8.270 nan 0.000 0.515 489 F N 1.407 121.340 119.950 -0.028 0.000 2.366 489 F HA 0.285 4.811 4.527 -0.001 0.000 0.357 489 F C -0.178 175.610 175.800 -0.019 0.000 1.107 489 F CA -0.708 57.281 58.000 -0.018 0.000 1.208 489 F CB 0.971 39.961 39.000 -0.016 0.000 1.464 489 F HN -0.231 nan 8.300 nan 0.000 0.501 490 T N 1.928 116.516 114.554 0.056 0.000 2.828 490 T HA 0.215 4.565 4.350 -0.001 0.000 0.282 490 T C 0.233 174.965 174.700 0.053 0.000 1.031 490 T CA 0.742 62.864 62.100 0.037 0.000 1.136 490 T CB 0.077 68.953 68.868 0.013 0.000 1.057 490 T HN 0.705 nan 8.240 nan 0.000 0.499 491 S N 1.606 117.324 115.700 0.030 0.000 2.643 491 S HA 0.483 4.952 4.470 -0.001 0.000 0.266 491 S C -0.415 174.190 174.600 0.010 0.000 1.130 491 S CA -1.401 56.815 58.200 0.027 0.000 0.817 491 S CB 0.442 63.664 63.200 0.037 0.000 1.107 491 S HN 0.575 nan 8.310 nan 0.000 0.471 492 L N 0.860 122.092 121.223 0.015 0.000 2.476 492 L HA 0.126 4.466 4.340 -0.001 0.000 0.309 492 L C 0.603 177.470 176.870 -0.005 0.000 1.330 492 L CA 0.447 55.295 54.840 0.014 0.000 0.827 492 L CB -0.334 41.747 42.059 0.036 0.000 1.044 492 L HN 0.872 nan 8.230 nan 0.000 0.599 493 T N -1.901 112.658 114.554 0.008 0.000 2.906 493 T HA 0.407 4.757 4.350 -0.001 0.000 0.295 493 T C -0.689 174.071 174.700 0.099 0.000 1.075 493 T CA -0.752 61.342 62.100 -0.010 0.000 1.005 493 T CB 1.409 70.257 68.868 -0.032 0.000 1.136 493 T HN 0.434 nan 8.240 nan 0.000 0.498 494 H N -0.112 118.939 119.070 -0.031 0.000 2.508 494 H HA 0.307 4.862 4.556 -0.001 0.000 0.344 494 H C 1.494 176.708 175.328 -0.190 0.000 1.192 494 H CA -0.984 55.001 56.048 -0.105 0.000 1.290 494 H CB 1.289 31.040 29.762 -0.019 0.000 1.571 494 H HN 0.416 nan 8.280 nan 0.000 0.555 495 V N -0.754 118.998 119.914 -0.270 0.000 3.330 495 V HA -0.157 3.963 4.120 -0.001 0.000 0.273 495 V C 0.966 176.923 176.094 -0.228 0.000 1.179 495 V CA 1.424 63.537 62.300 -0.313 0.000 1.174 495 V CB -1.289 30.264 31.823 -0.449 0.000 0.794 495 V HN 0.613 nan 8.190 nan 0.000 0.527 496 F N -0.139 119.880 119.950 0.115 0.000 2.505 496 F HA 0.338 4.865 4.527 -0.001 0.000 0.289 496 F C 1.597 177.458 175.800 0.102 0.000 1.101 496 F CA 0.295 58.361 58.000 0.109 0.000 1.446 496 F CB 0.112 39.187 39.000 0.125 0.000 1.123 496 F HN 0.234 nan 8.300 nan 0.000 0.564 497 N N 0.741 119.578 118.700 0.228 0.000 3.025 497 N HA 0.141 4.881 4.740 -0.001 0.000 0.315 497 N C 0.506 176.018 175.510 0.003 0.000 1.511 497 N CA -0.058 53.076 53.050 0.140 0.000 1.097 497 N CB -0.075 38.464 38.487 0.086 0.000 1.395 497 N HN 0.045 nan 8.380 nan 0.000 0.511 498 R N -0.073 120.352 120.500 -0.125 0.000 2.346 498 R HA 0.052 4.392 4.340 -0.001 0.000 0.199 498 R C -0.328 175.341 176.300 -1.051 0.000 1.015 498 R CA 0.748 56.484 56.100 -0.606 0.000 1.058 498 R CB -0.007 29.780 30.300 -0.855 0.000 0.921 498 R HN 0.266 nan 8.270 nan 0.000 0.475 499 F N -1.897 118.087 119.950 0.056 0.000 2.505 499 F HA 0.295 4.822 4.527 -0.001 0.000 0.383 499 F C -1.945 173.895 175.800 0.067 0.000 1.509 499 F CA -2.047 55.988 58.000 0.058 0.000 1.101 499 F CB 1.130 40.159 39.000 0.049 0.000 1.367 499 F HN -0.186 nan 8.300 nan 0.000 0.523 500 P HA -0.251 nan 4.420 nan 0.000 0.219 500 P C 0.939 178.317 177.300 0.130 0.000 1.161 500 P CA 1.760 64.924 63.100 0.106 0.000 0.909 500 P CB 0.111 31.839 31.700 0.046 0.000 0.793 501 E N -0.814 119.466 120.200 0.134 0.000 2.392 501 E HA -0.000 4.349 4.350 -0.001 0.000 0.307 501 E C 0.287 177.012 176.600 0.208 0.000 1.505 501 E CA 0.092 56.577 56.400 0.141 0.000 1.716 501 E CB -1.377 28.386 29.700 0.105 0.000 1.450 501 E HN 0.303 nan 8.360 nan 0.000 0.484 502 N N 0.910 119.752 118.700 0.236 0.000 2.075 502 N HA -0.078 4.661 4.740 -0.001 0.000 0.226 502 N C 0.148 175.823 175.510 0.275 0.000 1.343 502 N CA 0.018 53.240 53.050 0.287 0.000 0.881 502 N CB 0.332 38.967 38.487 0.247 0.000 1.100 502 N HN 0.026 nan 8.380 nan 0.000 0.495 503 Q N 0.060 120.017 119.800 0.262 0.000 2.264 503 Q HA -0.201 4.138 4.340 -0.001 0.000 0.207 503 Q C 0.794 177.002 176.000 0.346 0.000 0.702 503 Q CA 1.559 57.562 55.803 0.333 0.000 1.411 503 Q CB -1.247 27.732 28.738 0.400 0.000 1.717 503 Q HN 0.615 nan 8.270 nan 0.000 0.683 504 I N -1.884 118.773 120.570 0.146 0.000 4.079 504 I HA -0.020 4.150 4.170 -0.001 0.000 0.276 504 I C 1.240 177.325 176.117 -0.052 0.000 1.146 504 I CA -0.082 61.214 61.300 -0.006 0.000 1.324 504 I CB 0.210 38.105 38.000 -0.174 0.000 1.638 504 I HN -0.041 nan 8.210 nan 0.000 0.436 505 L N 1.717 122.900 121.223 -0.067 0.000 2.645 505 L HA 0.225 4.565 4.340 -0.001 0.000 0.235 505 L C 1.548 178.478 176.870 0.100 0.000 1.150 505 L CA -0.150 54.611 54.840 -0.131 0.000 0.911 505 L CB -0.860 40.934 42.059 -0.442 0.000 1.077 505 L HN 0.190 nan 8.230 nan 0.000 0.438 506 A N 1.195 124.102 122.820 0.144 0.000 2.464 506 A HA 0.030 4.349 4.320 -0.001 0.000 0.274 506 A C 0.850 178.534 177.584 0.167 0.000 1.633 506 A CA 0.421 52.567 52.037 0.183 0.000 1.015 506 A CB 0.035 19.135 19.000 0.166 0.000 1.454 506 A HN 0.395 nan 8.150 nan 0.000 0.665 507 R N -0.257 120.321 120.500 0.131 0.000 2.451 507 R HA 0.417 4.757 4.340 -0.001 0.000 0.307 507 R C -2.973 173.366 176.300 0.065 0.000 0.965 507 R CA -1.917 54.247 56.100 0.107 0.000 0.865 507 R CB 1.214 31.577 30.300 0.104 0.000 1.174 507 R HN 0.353 nan 8.270 nan 0.000 0.455 508 P HA -0.008 nan 4.420 nan 0.000 0.263 508 P C -2.499 174.795 177.300 -0.010 0.000 1.168 508 P CA -0.510 62.603 63.100 0.023 0.000 0.759 508 P CB 0.139 31.850 31.700 0.019 0.000 0.782 509 P HA 0.088 nan 4.420 nan 0.000 0.268 509 P C -0.571 176.694 177.300 -0.059 0.000 1.204 509 P CA 0.136 63.211 63.100 -0.041 0.000 0.768 509 P CB 0.428 32.095 31.700 -0.054 0.000 0.842 510 A N 5.824 128.612 122.820 -0.053 0.000 2.451 510 A HA 0.360 4.679 4.320 -0.001 0.000 0.266 510 A C -1.875 175.662 177.584 -0.077 0.000 1.119 510 A CA -1.080 50.921 52.037 -0.061 0.000 0.786 510 A CB -0.821 18.156 19.000 -0.039 0.000 1.061 510 A HN 0.406 nan 8.150 nan 0.000 0.503 511 P HA 0.200 nan 4.420 nan 0.000 0.275 511 P C -0.030 177.227 177.300 -0.071 0.000 1.228 511 P CA -0.053 62.988 63.100 -0.098 0.000 0.786 511 P CB 0.670 32.310 31.700 -0.099 0.000 0.927 512 T N -0.175 114.344 114.554 -0.058 0.000 2.919 512 T HA 0.354 4.704 4.350 -0.001 0.000 0.302 512 T C 0.519 175.248 174.700 0.048 0.000 1.031 512 T CA -0.427 61.665 62.100 -0.012 0.000 1.127 512 T CB -0.374 68.559 68.868 0.109 0.000 0.952 512 T HN 0.323 nan 8.240 nan 0.000 0.540 513 I N 1.107 121.734 120.570 0.095 0.000 6.786 513 I HA -0.167 4.002 4.170 -0.001 0.000 0.126 513 I C 0.778 176.940 176.117 0.074 0.000 1.830 513 I CA 0.635 62.010 61.300 0.125 0.000 2.037 513 I CB -2.116 35.949 38.000 0.108 0.000 3.544 513 I HN 1.119 nan 8.210 nan 0.000 0.169 514 T N 1.048 115.660 114.554 0.098 0.000 2.934 514 T HA 0.919 5.268 4.350 -0.001 0.000 0.283 514 T C 0.365 175.155 174.700 0.150 0.000 1.005 514 T CA -0.157 61.986 62.100 0.072 0.000 1.041 514 T CB 1.993 70.880 68.868 0.031 0.000 1.042 514 T HN 0.635 nan 8.240 nan 0.000 0.505 515 T N -1.386 113.228 114.554 0.101 0.000 2.932 515 T HA 0.728 5.077 4.350 -0.001 0.000 0.289 515 T C -0.799 173.975 174.700 0.123 0.000 1.039 515 T CA -0.834 61.345 62.100 0.133 0.000 1.024 515 T CB 1.487 70.391 68.868 0.058 0.000 1.090 515 T HN 0.614 nan 8.240 nan 0.000 0.496 516 V N 1.308 121.322 119.914 0.166 0.000 2.668 516 V HA 0.510 4.630 4.120 -0.001 0.000 0.304 516 V C 0.235 176.385 176.094 0.093 0.000 1.071 516 V CA -1.022 61.344 62.300 0.110 0.000 0.894 516 V CB 1.959 33.844 31.823 0.103 0.000 1.008 516 V HN 1.152 nan 8.190 nan 0.000 0.425 517 S N 3.740 119.462 115.700 0.037 0.000 2.525 517 S HA 0.202 4.672 4.470 -0.001 0.000 0.285 517 S C -0.277 174.336 174.600 0.021 0.000 1.283 517 S CA 0.178 58.389 58.200 0.019 0.000 1.072 517 S CB 0.152 63.334 63.200 -0.030 0.000 0.867 517 S HN 0.838 nan 8.310 nan 0.000 0.492 518 E N 4.090 124.313 120.200 0.038 0.000 2.256 518 E HA 0.268 4.617 4.350 -0.001 0.000 0.268 518 E C -0.941 175.651 176.600 -0.013 0.000 0.877 518 E CA -0.771 55.645 56.400 0.027 0.000 0.757 518 E CB 0.851 30.593 29.700 0.070 0.000 1.183 518 E HN 0.675 nan 8.360 nan 0.000 0.418 519 N N 2.259 120.941 118.700 -0.029 0.000 2.518 519 N HA 0.346 5.086 4.740 -0.001 0.000 0.283 519 N C -1.415 174.094 175.510 -0.001 0.000 1.119 519 N CA -0.065 52.954 53.050 -0.052 0.000 0.983 519 N CB 1.881 40.312 38.487 -0.093 0.000 1.139 519 N HN 0.247 nan 8.380 nan 0.000 0.465 520 V N 3.852 123.761 119.914 -0.009 0.000 2.932 520 V HA 0.459 4.579 4.120 -0.001 0.000 0.307 520 V C -2.434 173.768 176.094 0.180 0.000 1.147 520 V CA -1.876 60.453 62.300 0.049 0.000 0.951 520 V CB 2.667 34.393 31.823 -0.161 0.000 1.031 520 V HN 0.550 nan 8.190 nan 0.000 0.426 521 P HA 0.303 nan 4.420 nan 0.000 0.271 521 P C -1.015 176.340 177.300 0.091 0.000 1.216 521 P CA -0.110 63.081 63.100 0.152 0.000 0.771 521 P CB 1.347 32.963 31.700 -0.141 0.000 0.864 522 A N 5.105 128.003 122.820 0.129 0.000 2.328 522 A HA 0.398 4.718 4.320 -0.001 0.000 0.318 522 A C 0.216 177.865 177.584 0.108 0.000 1.347 522 A CA -0.748 51.356 52.037 0.113 0.000 0.842 522 A CB -0.025 19.063 19.000 0.147 0.000 1.148 522 A HN 0.519 nan 8.150 nan 0.000 0.499 523 L N 3.314 124.575 121.223 0.063 0.000 2.395 523 L HA 0.170 4.509 4.340 -0.001 0.000 0.268 523 L C 1.075 177.953 176.870 0.014 0.000 1.223 523 L CA -0.088 54.775 54.840 0.038 0.000 1.093 523 L CB -0.038 42.031 42.059 0.018 0.000 1.349 523 L HN 0.772 nan 8.230 nan 0.000 0.427 524 T N 0.530 115.089 114.554 0.009 0.000 2.814 524 T HA 0.209 4.559 4.350 -0.001 0.000 0.284 524 T C -0.600 173.973 174.700 -0.212 0.000 0.998 524 T CA -0.394 61.655 62.100 -0.084 0.000 0.935 524 T CB 1.247 70.072 68.868 -0.072 0.000 1.167 524 T HN 0.549 nan 8.240 nan 0.000 0.545 525 D N 0.610 120.789 120.400 -0.370 0.000 2.452 525 D HA 0.155 4.795 4.640 -0.001 0.000 0.226 525 D C -0.891 175.141 176.300 -0.448 0.000 1.366 525 D CA -0.425 53.363 54.000 -0.354 0.000 0.986 525 D CB 0.485 41.190 40.800 -0.159 0.000 1.420 525 D HN 0.619 nan 8.370 nan 0.000 0.583 526 H N 1.215 120.230 119.070 -0.091 0.000 2.544 526 H HA 0.432 4.988 4.556 -0.001 0.000 0.365 526 H C 1.322 176.612 175.328 -0.063 0.000 1.268 526 H CA -0.076 55.928 56.048 -0.072 0.000 1.400 526 H CB 0.764 30.452 29.762 -0.123 0.000 1.538 526 H HN 0.476 nan 8.280 nan 0.000 0.597 527 G N -0.349 108.488 108.800 0.062 0.000 2.394 527 G HA2 0.019 3.978 3.960 -0.001 0.000 0.256 527 G HA3 0.019 3.978 3.960 -0.001 0.000 0.256 527 G C -0.105 174.798 174.900 0.006 0.000 1.504 527 G CA 0.206 45.316 45.100 0.016 0.000 1.051 527 G HN 0.584 nan 8.290 nan 0.000 0.550 528 T N -0.333 114.219 114.554 -0.003 0.000 2.786 528 T HA 0.604 4.954 4.350 -0.001 0.000 0.283 528 T C -0.320 174.374 174.700 -0.010 0.000 0.992 528 T CA -0.721 61.375 62.100 -0.006 0.000 0.954 528 T CB 0.299 69.165 68.868 -0.003 0.000 0.934 528 T HN 0.329 nan 8.240 nan 0.000 0.440 529 L N 5.505 126.720 121.223 -0.014 0.000 2.322 529 L HA 0.635 4.975 4.340 -0.001 0.000 0.269 529 L C -2.365 174.503 176.870 -0.003 0.000 1.012 529 L CA -2.934 51.893 54.840 -0.022 0.000 0.815 529 L CB 2.130 44.161 42.059 -0.046 0.000 1.295 529 L HN 0.452 nan 8.230 nan 0.000 0.438 530 P HA 0.358 nan 4.420 nan 0.000 0.280 530 P C -1.388 175.927 177.300 0.025 0.000 1.244 530 P CA -0.360 62.755 63.100 0.025 0.000 0.784 530 P CB 0.974 32.676 31.700 0.004 0.000 0.913 531 L N 0.505 121.765 121.223 0.063 0.000 2.327 531 L HA 0.689 5.028 4.340 -0.001 0.000 0.258 531 L C 0.040 176.938 176.870 0.046 0.000 1.024 531 L CA -1.277 53.580 54.840 0.029 0.000 0.825 531 L CB 0.849 42.907 42.059 -0.002 0.000 1.386 531 L HN 0.148 nan 8.230 nan 0.000 0.417 532 R N 0.325 120.827 120.500 0.003 0.000 2.738 532 R HA 0.235 4.575 4.340 -0.001 0.000 0.268 532 R C -0.392 175.890 176.300 -0.030 0.000 1.062 532 R CA -0.221 55.880 56.100 0.000 0.000 1.158 532 R CB 0.012 30.297 30.300 -0.025 0.000 1.046 532 R HN 0.749 nan 8.270 nan 0.000 0.493 533 N N -0.626 118.058 118.700 -0.028 0.000 2.268 533 N HA -0.013 4.726 4.740 -0.001 0.000 0.204 533 N C -0.882 174.556 175.510 -0.120 0.000 1.124 533 N CA -0.172 52.821 53.050 -0.096 0.000 0.838 533 N CB 0.781 39.257 38.487 -0.018 0.000 0.994 533 N HN 0.441 nan 8.380 nan 0.000 0.489 534 S N 0.096 115.741 115.700 -0.091 0.000 2.279 534 S HA 0.397 4.867 4.470 -0.001 0.000 0.176 534 S C -0.383 174.169 174.600 -0.080 0.000 1.554 534 S CA -0.765 57.384 58.200 -0.084 0.000 1.242 534 S CB -0.023 63.141 63.200 -0.060 0.000 1.163 534 S HN 0.087 nan 8.310 nan 0.000 0.449 535 I N 2.740 123.252 120.570 -0.096 0.000 2.436 535 I HA 0.302 4.472 4.170 -0.001 0.000 0.289 535 I C 1.283 177.363 176.117 -0.062 0.000 1.083 535 I CA -0.253 60.996 61.300 -0.085 0.000 1.372 535 I CB 0.414 38.351 38.000 -0.104 0.000 1.408 535 I HN 0.734 nan 8.210 nan 0.000 0.516 536 G N 4.090 112.857 108.800 -0.056 0.000 2.491 536 G HA2 0.180 4.140 3.960 -0.001 0.000 0.238 536 G HA3 0.180 4.140 3.960 -0.001 0.000 0.238 536 G C 1.124 176.006 174.900 -0.030 0.000 1.277 536 G CA -0.052 45.023 45.100 -0.043 0.000 0.851 536 G HN 0.905 nan 8.290 nan 0.000 0.573 537 G N -0.078 108.711 108.800 -0.019 0.000 2.475 537 G HA2 0.037 3.996 3.960 -0.001 0.000 0.220 537 G HA3 0.037 3.996 3.960 -0.001 0.000 0.220 537 G C 0.766 175.666 174.900 -0.000 0.000 1.125 537 G CA 1.514 46.613 45.100 -0.002 0.000 0.755 537 G HN 1.457 nan 8.290 nan 0.000 0.565 538 V N -2.364 117.545 119.914 -0.009 0.000 2.407 538 V HA 0.623 4.743 4.120 -0.001 0.000 0.291 538 V C -1.030 175.046 176.094 -0.031 0.000 1.018 538 V CA -1.368 60.928 62.300 -0.006 0.000 0.842 538 V CB 1.671 33.498 31.823 0.006 0.000 0.996 538 V HN 0.001 nan 8.190 nan 0.000 0.426 539 Q N 3.098 122.872 119.800 -0.043 0.000 2.205 539 Q HA 0.585 4.925 4.340 -0.001 0.000 0.249 539 Q C -0.511 175.419 176.000 -0.117 0.000 0.948 539 Q CA -0.504 55.251 55.803 -0.081 0.000 0.895 539 Q CB 2.609 31.299 28.738 -0.081 0.000 1.249 539 Q HN 0.936 nan 8.270 nan 0.000 0.458 540 R N 0.290 120.694 120.500 -0.160 0.000 2.437 540 R HA 0.567 4.906 4.340 -0.001 0.000 0.310 540 R C -1.314 174.830 176.300 -0.260 0.000 0.955 540 R CA -0.383 55.596 56.100 -0.203 0.000 0.851 540 R CB 1.043 31.249 30.300 -0.157 0.000 1.161 540 R HN 0.349 nan 8.270 nan 0.000 0.446 541 V N 3.197 122.849 119.914 -0.436 0.000 2.612 541 V HA 0.574 4.694 4.120 -0.001 0.000 0.301 541 V C -0.309 175.671 176.094 -0.189 0.000 1.046 541 V CA -0.452 61.627 62.300 -0.369 0.000 0.946 541 V CB 2.067 33.458 31.823 -0.721 0.000 1.003 541 V HN 0.880 nan 8.190 nan 0.000 0.459 542 T N 4.922 119.495 114.554 0.032 0.000 3.483 542 T HA 0.487 4.836 4.350 -0.001 0.000 0.329 542 T C -0.776 173.968 174.700 0.074 0.000 1.014 542 T CA -0.208 61.962 62.100 0.118 0.000 1.056 542 T CB 0.724 69.755 68.868 0.271 0.000 1.090 542 T HN 0.385 nan 8.240 nan 0.000 0.460 543 I N 3.285 123.835 120.570 -0.032 0.000 2.359 543 I HA 0.521 4.690 4.170 -0.001 0.000 0.294 543 I C 0.335 176.421 176.117 -0.051 0.000 0.987 543 I CA -0.463 60.715 61.300 -0.204 0.000 1.225 543 I CB 1.801 39.556 38.000 -0.407 0.000 1.366 543 I HN 0.512 nan 8.210 nan 0.000 0.466 544 T N 3.498 118.040 114.554 -0.020 0.000 2.916 544 T HA 0.337 4.686 4.350 -0.001 0.000 0.292 544 T C -0.747 173.920 174.700 -0.054 0.000 1.064 544 T CA -0.780 61.343 62.100 0.037 0.000 1.011 544 T CB 2.116 71.068 68.868 0.141 0.000 1.152 544 T HN 0.659 nan 8.240 nan 0.000 0.510 545 D N 0.025 120.404 120.400 -0.036 0.000 2.442 545 D HA 0.495 5.135 4.640 -0.001 0.000 0.254 545 D C 1.480 177.655 176.300 -0.209 0.000 1.069 545 D CA -0.591 53.337 54.000 -0.121 0.000 1.017 545 D CB 1.182 42.000 40.800 0.030 0.000 1.172 545 D HN 0.510 nan 8.370 nan 0.000 0.561 546 A N 0.762 123.436 122.820 -0.243 0.000 1.940 546 A HA -0.269 4.050 4.320 -0.001 0.000 0.221 546 A C 2.145 179.723 177.584 -0.009 0.000 1.190 546 A CA 1.652 53.591 52.037 -0.165 0.000 0.647 546 A CB -0.652 18.302 19.000 -0.076 0.000 0.821 546 A HN 0.637 nan 8.150 nan 0.000 0.457 547 R N -2.138 118.357 120.500 -0.009 0.000 2.275 547 R HA 0.040 4.379 4.340 -0.001 0.000 0.199 547 R C -0.381 175.939 176.300 0.032 0.000 0.989 547 R CA 0.185 56.293 56.100 0.014 0.000 1.016 547 R CB 0.147 30.442 30.300 -0.008 0.000 0.918 547 R HN 0.357 nan 8.270 nan 0.000 0.473 548 R N 0.790 121.318 120.500 0.046 0.000 2.534 548 R HA -0.114 4.225 4.340 -0.001 0.000 0.330 548 R C -1.018 175.309 176.300 0.045 0.000 1.000 548 R CA 0.590 56.732 56.100 0.070 0.000 0.702 548 R CB -1.649 28.698 30.300 0.077 0.000 2.044 548 R HN 0.574 nan 8.270 nan 0.000 0.463 549 R N -2.187 118.352 120.500 0.064 0.000 2.687 549 R HA 0.368 4.708 4.340 -0.001 0.000 0.265 549 R C -0.153 176.224 176.300 0.129 0.000 1.048 549 R CA -0.589 55.560 56.100 0.082 0.000 0.884 549 R CB 0.545 30.895 30.300 0.084 0.000 1.258 549 R HN 0.247 nan 8.270 nan 0.000 0.469 550 T N -1.659 112.965 114.554 0.116 0.000 2.724 550 T HA 0.118 4.467 4.350 -0.001 0.000 0.324 550 T C 0.174 174.963 174.700 0.147 0.000 1.071 550 T CA -0.298 61.860 62.100 0.097 0.000 1.061 550 T CB 0.853 69.756 68.868 0.059 0.000 0.990 550 T HN 0.692 nan 8.240 nan 0.000 0.543 551 C N 4.496 123.821 119.300 0.041 0.000 2.437 551 C HA 0.540 4.999 4.460 -0.001 0.000 0.307 551 C C -1.411 173.438 174.990 -0.234 0.000 1.093 551 C CA -1.739 57.246 59.018 -0.054 0.000 1.463 551 C CB 0.011 27.780 27.740 0.048 0.000 1.926 551 C HN 0.787 nan 8.230 nan 0.000 0.420 552 P HA -0.186 nan 4.420 nan 0.000 0.218 552 P C 0.223 177.192 177.300 -0.551 0.000 1.152 552 P CA 1.736 64.490 63.100 -0.577 0.000 0.857 552 P CB -0.108 31.059 31.700 -0.889 0.000 0.787 553 Y N -1.557 118.572 120.300 -0.286 0.000 2.550 553 Y HA 0.136 4.686 4.550 -0.001 0.000 0.351 553 Y C 0.539 176.376 175.900 -0.106 0.000 1.160 553 Y CA -0.415 57.575 58.100 -0.184 0.000 1.337 553 Y CB -0.688 37.652 38.460 -0.200 0.000 1.196 553 Y HN -0.247 nan 8.280 nan 0.000 0.498 554 V N 0.654 120.573 119.914 0.009 0.000 2.347 554 V HA 0.012 4.131 4.120 -0.001 0.000 0.280 554 V C 0.357 176.531 176.094 0.133 0.000 1.021 554 V CA -0.781 61.545 62.300 0.043 0.000 0.847 554 V CB 0.727 32.559 31.823 0.015 0.000 0.990 554 V HN 0.344 nan 8.190 nan 0.000 0.444 555 Y N 5.109 125.400 120.300 -0.015 0.000 2.347 555 Y HA 0.345 4.895 4.550 -0.000 0.000 0.294 555 Y C 0.876 176.660 175.900 -0.194 0.000 1.117 555 Y CA 0.590 58.706 58.100 0.028 0.000 1.184 555 Y CB 0.389 38.856 38.460 0.013 0.000 1.047 555 Y HN 0.509 nan 8.280 nan 0.000 0.546 556 K N 0.483 120.651 120.400 -0.387 0.000 2.550 556 K HA 0.664 4.984 4.320 -0.001 0.000 0.252 556 K C -1.918 174.569 176.600 -0.188 0.000 0.943 556 K CA -0.481 55.468 56.287 -0.564 0.000 0.806 556 K CB 1.621 33.735 32.500 -0.643 0.000 1.289 556 K HN 0.062 nan 8.250 nan 0.000 0.435 557 A N 4.562 127.285 122.820 -0.162 0.000 2.355 557 A HA 0.800 5.120 4.320 -0.001 0.000 0.317 557 A C -1.517 176.195 177.584 0.213 0.000 1.094 557 A CA -0.714 51.434 52.037 0.185 0.000 0.764 557 A CB 0.909 20.100 19.000 0.319 0.000 1.230 557 A HN 0.628 nan 8.150 nan 0.000 0.448 558 L N 2.007 123.406 121.223 0.292 0.000 2.464 558 L HA 0.676 5.016 4.340 -0.001 0.000 0.266 558 L C 0.037 176.990 176.870 0.139 0.000 0.965 558 L CA -0.519 54.432 54.840 0.185 0.000 0.833 558 L CB 2.494 44.609 42.059 0.093 0.000 1.296 558 L HN 0.922 nan 8.230 nan 0.000 0.405 559 G N 4.184 113.055 108.800 0.117 0.000 2.566 559 G HA2 0.744 4.704 3.960 -0.001 0.000 0.311 559 G HA3 0.744 4.704 3.960 -0.001 0.000 0.311 559 G C -1.223 173.691 174.900 0.024 0.000 1.322 559 G CA -0.350 44.752 45.100 0.003 0.000 0.969 559 G HN 0.413 nan 8.290 nan 0.000 0.490 560 I N 1.858 122.408 120.570 -0.033 0.000 2.436 560 I HA 0.373 4.542 4.170 -0.001 0.000 0.289 560 I C -0.605 175.433 176.117 -0.131 0.000 1.010 560 I CA -0.976 60.281 61.300 -0.072 0.000 1.098 560 I CB 2.296 40.281 38.000 -0.025 0.000 1.266 560 I HN 0.064 nan 8.210 nan 0.000 0.434 561 V N 4.519 124.318 119.914 -0.190 0.000 2.555 561 V HA 0.424 4.543 4.120 -0.001 0.000 0.302 561 V C -0.171 175.821 176.094 -0.170 0.000 1.038 561 V CA -0.497 61.711 62.300 -0.154 0.000 0.887 561 V CB 2.092 33.833 31.823 -0.135 0.000 0.991 561 V HN 0.784 nan 8.190 nan 0.000 0.434 562 S N 5.777 121.413 115.700 -0.106 0.000 2.406 562 S HA 0.389 4.859 4.470 -0.001 0.000 0.224 562 S C -2.562 172.030 174.600 -0.013 0.000 1.426 562 S CA -1.104 57.050 58.200 -0.076 0.000 1.179 562 S CB 0.881 64.050 63.200 -0.052 0.000 1.042 562 S HN 0.649 nan 8.310 nan 0.000 0.479 563 P HA 0.274 nan 4.420 nan 0.000 0.272 563 P C -0.579 176.881 177.300 0.266 0.000 1.223 563 P CA -0.340 62.822 63.100 0.103 0.000 0.784 563 P CB 0.581 32.259 31.700 -0.035 0.000 0.923 564 R N 0.157 120.915 120.500 0.431 0.000 2.604 564 R HA 0.446 4.786 4.340 -0.001 0.000 0.261 564 R C -1.232 175.100 176.300 0.053 0.000 1.080 564 R CA -1.092 55.201 56.100 0.321 0.000 0.917 564 R CB 0.600 30.973 30.300 0.121 0.000 1.252 564 R HN 0.212 nan 8.270 nan 0.000 0.456 565 V N 4.154 123.773 119.914 -0.491 0.000 2.788 565 V HA 0.049 4.169 4.120 -0.001 0.000 0.307 565 V C 0.261 176.145 176.094 -0.350 0.000 1.069 565 V CA 0.514 62.318 62.300 -0.828 0.000 1.173 565 V CB 0.509 31.803 31.823 -0.883 0.000 0.925 565 V HN 0.856 nan 8.190 nan 0.000 0.492 566 L N 4.731 125.779 121.223 -0.291 0.000 2.624 566 L HA 0.349 4.689 4.340 -0.001 0.000 0.222 566 L C 0.869 177.679 176.870 -0.100 0.000 1.046 566 L CA 0.796 55.557 54.840 -0.132 0.000 0.872 566 L CB 0.689 42.713 42.059 -0.058 0.000 1.190 566 L HN 0.920 nan 8.230 nan 0.000 0.487 567 S N -2.470 113.173 115.700 -0.094 0.000 2.755 567 S HA 0.529 4.999 4.470 -0.001 0.000 0.286 567 S C -0.920 173.660 174.600 -0.033 0.000 1.207 567 S CA -0.720 57.462 58.200 -0.030 0.000 0.892 567 S CB 1.779 65.001 63.200 0.037 0.000 1.240 567 S HN -0.112 nan 8.310 nan 0.000 0.525 568 S N -0.383 115.330 115.700 0.022 0.000 2.542 568 S HA 0.580 5.050 4.470 -0.001 0.000 0.293 568 S C 0.067 174.662 174.600 -0.009 0.000 1.089 568 S CA -0.990 57.190 58.200 -0.033 0.000 0.961 568 S CB 1.871 65.044 63.200 -0.045 0.000 1.062 568 S HN 0.650 nan 8.310 nan 0.000 0.483 569 R N 0.889 121.318 120.500 -0.118 0.000 2.362 569 R HA 0.371 4.711 4.340 -0.001 0.000 0.227 569 R C 0.686 176.959 176.300 -0.045 0.000 0.905 569 R CA 0.577 56.608 56.100 -0.114 0.000 1.067 569 R CB 0.254 30.401 30.300 -0.254 0.000 1.078 569 R HN 0.867 nan 8.270 nan 0.000 0.516 570 T N 0.000 114.532 114.554 -0.037 0.000 3.816 570 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 570 T CA 0.000 nan 62.100 nan 0.000 1.349 570 T CB 0.000 nan 68.868 nan 0.000 0.612 570 T HN 0.000 nan 8.240 nan 0.000 0.658