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_C 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 1.318 110.132 108.800 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 1.336 176.288 174.900 0.086 0.000 0.965 50 G CA 1.956 47.082 45.100 0.043 0.000 0.846 50 G HN 1.211 nan 8.290 nan 0.000 1.096 51 G N -0.636 108.203 108.800 0.065 0.000 2.939 51 G HA2 0.233 4.192 3.960 -0.001 0.000 0.210 51 G HA3 0.233 4.192 3.960 -0.001 0.000 0.210 51 G C 1.603 176.550 174.900 0.078 0.000 1.160 51 G CA 0.842 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 1.569 177.911 176.300 0.070 0.000 0.988 52 R CA 0.293 56.405 56.100 0.020 0.000 1.041 52 R CB -0.011 30.246 30.300 -0.072 0.000 0.926 52 R HN 0.263 nan 8.270 nan 0.000 0.476 53 N N 1.522 120.300 118.700 0.129 0.000 2.131 53 N HA -0.110 4.630 4.740 -0.001 0.000 0.190 53 N C 0.390 176.035 175.510 0.224 0.000 1.055 53 N CA 1.155 54.344 53.050 0.232 0.000 0.853 53 N CB -0.786 37.868 38.487 0.280 0.000 1.035 53 N HN 0.139 nan 8.380 nan 0.000 0.440 54 S N 0.991 116.579 115.700 -0.186 0.000 4.684 54 S HA -0.207 4.263 4.470 -0.001 0.000 0.558 54 S C 0.064 174.532 174.600 -0.220 0.000 0.881 54 S CA 0.113 58.054 58.200 -0.432 0.000 1.166 54 S CB -1.446 61.589 63.200 -0.275 0.000 2.091 54 S HN 0.282 nan 8.310 nan 0.000 0.346 55 I N 4.515 124.903 120.570 -0.303 0.000 2.354 55 I HA 0.406 4.575 4.170 -0.001 0.000 0.286 55 I C 0.710 176.702 176.117 -0.207 0.000 1.007 55 I CA -0.615 60.511 61.300 -0.290 0.000 1.167 55 I CB 1.186 39.011 38.000 -0.292 0.000 1.320 55 I HN 0.645 nan 8.210 nan 0.000 0.458 56 R N 5.047 125.452 120.500 -0.158 0.000 2.732 56 R HA 0.626 4.966 4.340 -0.001 0.000 0.278 56 R C -1.409 174.898 176.300 0.012 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 -0.105 120.135 120.300 -0.099 0.000 2.638 57 Y HA 0.261 4.811 4.550 -0.001 0.000 0.339 57 Y C -0.320 175.538 175.900 -0.069 0.000 1.084 57 Y CA -0.986 57.061 58.100 -0.088 0.000 1.068 57 Y CB 1.990 40.407 38.460 -0.072 0.000 1.294 57 Y HN 0.687 nan 8.280 nan 0.000 0.480 58 S N 2.405 117.477 115.700 -1.046 0.000 2.544 58 S HA 0.028 4.498 4.470 -0.001 0.000 0.290 58 S C 0.529 174.961 174.600 -0.281 0.000 1.276 58 S CA 0.803 58.627 58.200 -0.626 0.000 1.075 58 S CB -0.196 62.557 63.200 -0.744 0.000 0.849 58 S HN 0.890 nan 8.310 nan 0.000 0.494 59 E N 0.925 121.053 120.200 -0.120 0.000 3.340 59 E HA -0.301 4.048 4.350 -0.001 0.000 0.246 59 E C 0.987 177.624 176.600 0.063 0.000 0.762 59 E CA 1.377 57.769 56.400 -0.014 0.000 0.783 59 E CB -1.036 28.666 29.700 0.003 0.000 1.409 59 E HN 0.718 nan 8.360 nan 0.000 0.449 60 L N -0.391 120.921 121.223 0.148 0.000 2.642 60 L HA 0.023 4.363 4.340 -0.001 0.000 0.236 60 L C 0.490 177.437 176.870 0.130 0.000 1.169 60 L CA 1.474 56.435 54.840 0.201 0.000 0.851 60 L CB -0.378 41.900 42.059 0.364 0.000 0.968 60 L HN 0.319 nan 8.230 nan 0.000 0.453 61 A N -2.604 120.274 122.820 0.096 0.000 2.437 61 A HA -0.001 4.318 4.320 -0.001 0.000 0.686 61 A C -2.429 175.194 177.584 0.065 0.000 0.140 61 A CA -0.461 51.623 52.037 0.078 0.000 0.026 61 A CB -2.007 17.043 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 -0.166 62.934 63.100 0.000 0.000 0.772 62 P CB 0.689 32.453 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 0.592 4.931 4.340 -0.001 0.000 0.274 63 L C -1.225 175.581 176.870 -0.107 0.000 1.007 63 L CA -0.400 54.455 54.840 0.025 0.000 0.818 63 L CB 0.869 42.919 42.059 -0.015 0.000 1.284 63 L HN 0.182 nan 8.230 nan 0.000 0.424 64 F N 3.057 123.038 119.950 0.050 0.000 2.482 64 F HA 0.561 5.087 4.527 -0.001 0.000 0.331 64 F C -0.036 175.823 175.800 0.099 0.000 1.115 64 F CA -0.534 57.514 58.000 0.080 0.000 0.955 64 F CB 1.295 40.333 39.000 0.063 0.000 1.136 64 F HN 0.564 nan 8.300 nan 0.000 0.452 65 D N -0.523 120.059 120.400 0.302 0.000 9.601 65 D HA -0.224 4.416 4.640 -0.001 0.000 0.351 65 D C 0.044 176.484 176.300 0.235 0.000 2.917 65 D CA 0.512 54.678 54.000 0.277 0.000 2.218 65 D CB -0.412 40.504 40.800 0.192 0.000 1.166 65 D HN 0.615 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 0.238 4.587 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 1.797 63.986 62.100 0.149 0.000 1.131 66 T CB 0.200 69.128 68.868 0.099 0.000 1.082 66 T HN 0.585 nan 8.240 nan 0.000 0.511 67 T N 3.479 118.034 114.554 0.001 0.000 2.589 67 T HA 0.623 4.972 4.350 -0.001 0.000 0.261 67 T C -1.651 172.986 174.700 -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 69.776 68.868 -0.062 0.000 1.576 67 T HN 0.669 nan 8.240 nan 0.000 0.464 68 R N 1.048 121.446 120.500 -0.170 0.000 2.522 68 R HA 0.581 4.921 4.340 -0.001 0.000 0.283 68 R C -1.261 174.763 176.300 -0.461 0.000 1.074 68 R CA -0.734 55.159 56.100 -0.344 0.000 0.925 68 R CB 1.977 32.008 30.300 -0.450 0.000 1.205 68 R HN 0.619 nan 8.270 nan 0.000 0.436 69 V N -0.055 119.588 119.914 -0.452 0.000 2.581 69 V HA 0.658 4.778 4.120 -0.001 0.000 0.303 69 V C -1.063 174.783 176.094 -0.412 0.000 1.041 69 V CA -0.814 61.292 62.300 -0.323 0.000 0.907 69 V CB 1.355 33.068 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 1.973 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 4.915 4.340 -0.001 0.000 0.284 71 L C -0.596 176.404 176.870 0.216 0.000 1.045 71 L CA -0.854 54.073 54.840 0.144 0.000 0.842 71 L CB 0.346 42.454 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 0.147 176.391 176.094 0.250 0.000 1.073 72 V CA -0.661 61.761 62.300 0.203 0.000 0.921 72 V CB 2.121 33.997 31.823 0.088 0.000 1.009 72 V HN 0.629 nan 8.190 nan 0.000 0.426 73 D N 3.551 124.005 120.400 0.092 0.000 2.202 73 D HA -0.124 4.516 4.640 -0.001 0.000 0.214 73 D C 1.333 177.604 176.300 -0.049 0.000 0.967 73 D CA 1.576 55.504 54.000 -0.120 0.000 0.871 73 D CB -0.670 39.704 40.800 -0.709 0.000 1.020 73 D HN 0.748 nan 8.370 nan 0.000 0.474 74 N N 1.193 119.843 118.700 -0.083 0.000 2.651 74 N HA -0.195 4.544 4.740 -0.001 0.000 0.193 74 N C 0.331 175.841 175.510 -0.000 0.000 1.149 74 N CA 0.308 53.334 53.050 -0.040 0.000 0.933 74 N CB -0.736 37.706 38.487 -0.074 0.000 0.974 74 N HN 0.234 nan 8.380 nan 0.000 0.448 75 K N 1.092 121.505 120.400 0.023 0.000 2.402 75 K HA 0.038 4.358 4.320 -0.001 0.000 0.285 75 K C 0.828 177.453 176.600 0.042 0.000 1.054 75 K CA 0.096 56.402 56.287 0.032 0.000 1.001 75 K CB 0.476 33.008 32.500 0.053 0.000 0.946 75 K HN 0.279 nan 8.250 nan 0.000 0.473 76 S N 2.071 117.789 115.700 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 60.262 58.200 0.035 0.000 1.033 76 S CB -0.886 62.330 63.200 0.025 0.000 0.887 76 S HN 0.859 nan 8.310 nan 0.000 0.447 77 T N 0.593 115.173 114.554 0.043 0.000 2.788 77 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 77 T C 1.377 176.114 174.700 0.061 0.000 1.044 77 T CA 1.510 63.638 62.100 0.048 0.000 1.139 77 T CB -0.751 68.144 68.868 0.046 0.000 0.867 77 T HN 0.279 nan 8.240 nan 0.000 0.454 78 D N 1.466 121.909 120.400 0.071 0.000 2.087 78 D HA -0.066 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 1.205 55.259 54.000 0.090 0.000 0.828 78 D CB -0.905 39.962 40.800 0.111 0.000 0.968 78 D HN 0.306 nan 8.370 nan 0.000 0.448 79 V N 2.106 122.079 119.914 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 2.720 65.084 62.300 0.105 0.000 1.032 79 V CB -1.268 30.601 31.823 0.077 0.000 0.655 79 V HN 0.285 nan 8.190 nan 0.000 0.458 80 A N 0.364 123.260 122.820 0.126 0.000 1.929 80 A HA -0.328 3.992 4.320 -0.001 0.000 0.221 80 A C 2.427 180.064 177.584 0.088 0.000 1.211 80 A CA 3.645 55.758 52.037 0.127 0.000 0.657 80 A CB -0.913 18.130 19.000 0.071 0.000 0.827 80 A HN 0.856 nan 8.150 nan 0.000 0.462 81 S N -1.736 114.008 115.700 0.072 0.000 2.456 81 S HA 0.262 4.731 4.470 -0.001 0.000 0.224 81 S C 1.666 176.306 174.600 0.067 0.000 1.035 81 S CA 0.880 59.108 58.200 0.047 0.000 0.940 81 S CB -0.254 62.971 63.200 0.041 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 4.629 4.340 -0.001 0.000 0.181 82 L C 0.309 177.261 176.870 0.136 0.000 1.134 82 L CA 0.246 55.149 54.840 0.105 0.000 0.850 82 L CB -0.509 41.610 42.059 0.101 0.000 1.172 82 L HN 0.240 nan 8.230 nan 0.000 0.498 83 N N -0.209 118.585 118.700 0.156 0.000 2.802 83 N HA -0.044 4.696 4.740 -0.001 0.000 0.288 83 N C 0.645 176.242 175.510 0.145 0.000 1.268 83 N CA -0.220 52.925 53.050 0.158 0.000 1.035 83 N CB -0.482 38.122 38.487 0.196 0.000 1.353 83 N HN 0.250 nan 8.380 nan 0.000 0.522 84 Y N 1.191 121.509 120.300 0.030 0.000 2.114 84 Y HA -0.128 4.421 4.550 -0.001 0.000 0.284 84 Y C 1.964 177.863 175.900 -0.002 0.000 1.143 84 Y CA 1.796 59.901 58.100 0.009 0.000 1.135 84 Y CB 0.152 38.618 38.460 0.010 0.000 0.980 84 Y HN 0.275 nan 8.280 nan 0.000 0.499 85 Q N 0.496 120.382 119.800 0.144 0.000 2.482 85 Q HA -0.029 4.310 4.340 -0.001 0.000 0.209 85 Q C -0.173 175.824 176.000 -0.005 0.000 0.961 85 Q CA -0.088 55.739 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 1.022 119.729 118.700 0.012 0.000 2.538 86 N HA 0.150 4.889 4.740 -0.001 0.000 0.292 86 N C -0.634 174.845 175.510 -0.051 0.000 1.262 86 N CA -0.109 52.952 53.050 0.020 0.000 0.976 86 N CB 0.806 39.355 38.487 0.104 0.000 1.161 86 N HN 0.090 nan 8.380 nan 0.000 0.598 87 D N -1.819 118.565 120.400 -0.027 0.000 2.559 87 D HA 0.186 4.826 4.640 -0.001 0.000 0.250 87 D C 0.438 176.718 176.300 -0.034 0.000 1.135 87 D CA -0.352 53.572 54.000 -0.127 0.000 0.955 87 D CB 0.406 41.127 40.800 -0.133 0.000 1.442 87 D HN 0.301 nan 8.370 nan 0.000 0.471 88 H N -0.138 118.861 119.070 -0.119 0.000 2.520 88 H HA -0.090 4.466 4.556 -0.001 0.000 0.295 88 H C 1.362 176.687 175.328 -0.005 0.000 1.096 88 H CA 1.450 57.377 56.048 -0.203 0.000 1.249 88 H CB -0.040 29.596 29.762 -0.210 0.000 1.365 88 H HN 0.362 nan 8.280 nan 0.000 0.556 89 S N -0.161 115.637 115.700 0.164 0.000 2.577 89 S HA 0.014 4.484 4.470 -0.001 0.000 0.219 89 S C 0.159 174.886 174.600 0.211 0.000 0.962 89 S CA -0.114 58.172 58.200 0.143 0.000 0.921 89 S CB -0.231 62.993 63.200 0.039 0.000 0.789 89 S HN 0.540 nan 8.310 nan 0.000 0.497 90 N N 0.700 119.603 118.700 0.338 0.000 3.357 90 N HA 0.228 4.967 4.740 -0.001 0.000 0.206 90 N C -0.920 174.798 175.510 0.347 0.000 1.458 90 N CA -0.599 52.614 53.050 0.272 0.000 0.776 90 N CB -0.153 38.432 38.487 0.165 0.000 1.626 90 N HN 0.251 nan 8.380 nan 0.000 0.644 91 F N 0.152 120.158 119.950 0.094 0.000 2.691 91 F HA 0.781 5.308 4.527 -0.000 0.000 0.334 91 F C -1.217 174.634 175.800 0.085 0.000 1.107 91 F CA -1.238 56.814 58.000 0.087 0.000 0.991 91 F CB 1.346 40.405 39.000 0.098 0.000 1.400 91 F HN -0.047 nan 8.300 nan 0.000 0.503 92 L N 0.931 122.272 121.223 0.196 0.000 2.342 92 L HA 0.731 5.071 4.340 -0.001 0.000 0.271 92 L C -0.777 176.186 176.870 0.156 0.000 1.008 92 L CA -0.663 54.210 54.840 0.056 0.000 0.818 92 L CB 2.293 44.400 42.059 0.080 0.000 1.296 92 L HN 0.780 nan 8.230 nan 0.000 0.427 93 T N -0.392 114.200 114.554 0.064 0.000 2.909 93 T HA 0.255 4.605 4.350 -0.001 0.000 0.299 93 T C -0.520 174.221 174.700 0.068 0.000 1.073 93 T CA -0.438 61.736 62.100 0.123 0.000 0.999 93 T CB 2.164 71.114 68.868 0.136 0.000 1.098 93 T HN 0.531 nan 8.240 nan 0.000 0.477 94 T N 1.356 115.958 114.554 0.079 0.000 2.743 94 T HA 0.313 4.663 4.350 -0.001 0.000 0.293 94 T C 0.945 175.677 174.700 0.054 0.000 0.945 94 T CA -0.323 61.811 62.100 0.057 0.000 1.030 94 T CB 0.764 69.671 68.868 0.064 0.000 0.912 94 T HN 0.427 nan 8.240 nan 0.000 0.483 95 V N 6.897 126.830 119.914 0.033 0.000 3.406 95 V HA 0.301 4.420 4.120 -0.001 0.000 0.263 95 V C 0.631 176.733 176.094 0.014 0.000 1.172 95 V CA 0.304 62.621 62.300 0.029 0.000 1.140 95 V CB -0.182 31.640 31.823 -0.003 0.000 0.784 95 V HN 0.754 nan 8.190 nan 0.000 0.467 96 I N 2.179 122.757 120.570 0.013 0.000 2.406 96 I HA 0.209 4.378 4.170 -0.001 0.000 0.293 96 I C 0.665 176.784 176.117 0.004 0.000 1.101 96 I CA 0.431 61.724 61.300 -0.012 0.000 1.334 96 I CB 0.839 38.867 38.000 0.047 0.000 1.421 96 I HN 0.373 nan 8.210 nan 0.000 0.513 97 Q N 5.015 124.798 119.800 -0.029 0.000 2.297 97 Q HA 0.132 4.472 4.340 -0.001 0.000 0.265 97 Q C 0.239 176.238 176.000 -0.000 0.000 0.904 97 Q CA -0.041 55.761 55.803 -0.002 0.000 0.969 97 Q CB -0.332 28.408 28.738 0.003 0.000 1.115 97 Q HN 0.544 nan 8.270 nan 0.000 0.433 98 N N 1.131 119.856 118.700 0.042 0.000 2.457 98 N HA 0.018 4.758 4.740 -0.001 0.000 0.250 98 N C 0.917 176.510 175.510 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 0.244 0.000 1.120 98 N HN -0.037 nan 8.380 nan 0.000 0.505 99 N N 3.314 122.054 118.700 0.067 0.000 2.182 99 N HA -0.234 4.506 4.740 -0.001 0.000 0.192 99 N C 0.222 175.734 175.510 0.002 0.000 1.007 99 N CA 1.704 54.773 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 -1.758 118.615 120.400 -0.045 0.000 2.340 100 D HA -0.040 4.600 4.640 -0.001 0.000 0.220 100 D C -0.276 175.787 176.300 -0.395 0.000 1.039 100 D CA 0.314 54.162 54.000 -0.253 0.000 0.866 100 D CB -0.002 40.533 40.800 -0.441 0.000 0.913 100 D HN 0.366 nan 8.370 nan 0.000 0.523 101 Y N 0.837 121.161 120.300 0.041 0.000 2.509 101 Y HA 0.238 4.788 4.550 -0.001 0.000 0.341 101 Y C 0.985 176.904 175.900 0.032 0.000 1.038 101 Y CA -1.086 57.038 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 2.547 118.363 115.700 0.192 0.000 2.572 102 S HA 0.017 4.487 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 -0.775 57.493 58.200 0.114 0.000 1.009 102 S CB 0.424 63.677 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 1.751 179.089 177.300 0.063 0.000 1.154 103 P CA 0.994 64.139 63.100 0.074 0.000 0.841 103 P CB -0.324 31.414 31.700 0.064 0.000 0.788 104 G N 0.476 109.309 108.800 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 1.623 176.548 174.900 0.041 0.000 1.198 104 G CA 1.193 46.318 45.100 0.041 0.000 0.780 104 G HN 0.296 nan 8.290 nan 0.000 0.565 105 E N 0.507 120.743 120.200 0.060 0.000 2.114 105 E HA -0.162 4.188 4.350 -0.001 0.000 0.199 105 E C 2.722 179.332 176.600 0.016 0.000 1.008 105 E CA 1.458 57.894 56.400 0.060 0.000 0.810 105 E CB -0.370 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 0.740 123.585 122.820 0.042 0.000 1.908 106 A HA -0.228 4.092 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 2.067 54.105 52.037 0.002 0.000 0.627 106 A CB -1.018 18.021 19.000 0.064 0.000 0.818 106 A HN 0.479 nan 8.150 nan 0.000 0.445 107 S N -0.921 114.784 115.700 0.007 0.000 2.488 107 S HA -0.143 4.327 4.470 -0.001 0.000 0.246 107 S C 1.543 176.132 174.600 -0.019 0.000 0.992 107 S CA 1.971 60.171 58.200 0.000 0.000 0.963 107 S CB -0.866 62.340 63.200 0.010 0.000 0.754 107 S HN 0.537 nan 8.310 nan 0.000 0.519 108 T N 1.932 116.465 114.554 -0.036 0.000 2.837 108 T HA 0.081 4.431 4.350 -0.001 0.000 0.248 108 T C 0.774 175.426 174.700 -0.079 0.000 1.033 108 T CA 0.381 62.449 62.100 -0.053 0.000 1.150 108 T CB -0.232 68.600 68.868 -0.059 0.000 0.865 108 T HN 0.618 nan 8.240 nan 0.000 0.425 109 Q N 1.958 121.687 119.800 -0.118 0.000 2.539 109 Q HA 0.287 4.626 4.340 -0.001 0.000 0.268 109 Q C -0.000 175.954 176.000 -0.076 0.000 1.109 109 Q CA 0.303 56.013 55.803 -0.155 0.000 0.968 109 Q CB 0.009 28.615 28.738 -0.221 0.000 1.309 109 Q HN 0.492 nan 8.270 nan 0.000 0.497 110 T N -2.841 111.666 114.554 -0.079 0.000 2.894 110 T HA 0.600 4.949 4.350 -0.001 0.000 0.309 110 T C -0.547 174.164 174.700 0.017 0.000 1.208 110 T CA -0.876 61.206 62.100 -0.029 0.000 1.016 110 T CB 0.789 69.619 68.868 -0.062 0.000 1.192 110 T HN 0.447 nan 8.240 nan 0.000 0.491 111 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 -0.124 175.933 176.117 -0.100 0.000 1.010 111 I CA -0.828 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 8.181 126.808 118.700 -0.122 0.000 2.511 112 N HA 0.390 5.130 4.740 -0.001 0.000 0.249 112 N C -0.605 174.743 175.510 -0.270 0.000 0.971 112 N CA -0.448 52.503 53.050 -0.165 0.000 0.938 112 N CB 1.866 40.283 38.487 -0.118 0.000 1.131 112 N HN 0.428 nan 8.380 nan 0.000 0.505 113 L N 0.749 121.723 121.223 -0.414 0.000 2.397 113 L HA 0.123 4.462 4.340 -0.001 0.000 0.271 113 L C 1.155 177.829 176.870 -0.326 0.000 1.148 113 L CA -0.373 53.984 54.840 -0.805 0.000 0.825 113 L CB 0.532 41.733 42.059 -1.431 0.000 1.117 113 L HN 0.350 nan 8.230 nan 0.000 0.456 114 D N 1.893 122.295 120.400 0.003 0.000 2.525 114 D HA -0.154 4.486 4.640 -0.001 0.000 0.235 114 D C 0.668 177.137 176.300 0.282 0.000 1.137 114 D CA 0.286 54.422 54.000 0.226 0.000 0.868 114 D CB 0.955 41.942 40.800 0.311 0.000 1.180 114 D HN 0.548 nan 8.370 nan 0.000 0.465 115 D N 3.070 123.534 120.400 0.107 0.000 2.144 115 D HA -0.119 4.521 4.640 -0.001 0.000 0.200 115 D C 1.567 177.881 176.300 0.024 0.000 0.978 115 D CA 0.744 54.777 54.000 0.055 0.000 0.833 115 D CB 0.259 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 -0.106 120.407 120.500 0.023 0.000 2.328 116 R HA 0.057 4.397 4.340 -0.001 0.000 0.207 116 R C 0.449 176.692 176.300 -0.096 0.000 1.056 116 R CA 0.270 56.350 56.100 -0.034 0.000 1.016 116 R CB 0.195 30.485 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 4.778 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 0.758 119.755 119.070 -0.122 0.000 2.690 118 H HA 0.194 4.749 4.556 -0.001 0.000 0.314 118 H C -0.924 174.348 175.328 -0.092 0.000 1.069 118 H CA 0.145 56.180 56.048 -0.022 0.000 1.436 118 H CB 0.427 30.171 29.762 -0.030 0.000 1.462 118 H HN 0.513 nan 8.280 nan 0.000 0.511 119 W N 1.309 122.650 121.300 0.069 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 -0.454 56.905 57.345 0.023 0.000 1.304 119 W CB 1.437 30.891 29.460 -0.010 0.000 1.335 119 W HN 0.653 nan 8.180 nan 0.000 0.643 120 G N -0.548 108.425 108.800 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 -1.479 173.502 174.900 0.136 0.000 1.399 120 G CA -0.696 44.491 45.100 0.146 0.000 0.890 120 G HN 0.706 nan 8.290 nan 0.000 0.485 121 G N -0.309 108.527 108.800 0.059 0.000 2.612 121 G HA2 0.580 4.540 3.960 -0.001 0.000 0.298 121 G HA3 0.580 4.540 3.960 -0.001 0.000 0.298 121 G C -1.586 173.310 174.900 -0.005 0.000 1.336 121 G CA -0.623 44.492 45.100 0.024 0.000 0.953 121 G HN 0.398 nan 8.290 nan 0.000 0.482 122 D N 0.594 120.984 120.400 -0.018 0.000 2.232 122 D HA 0.303 4.943 4.640 -0.001 0.000 0.242 122 D C -0.569 175.702 176.300 -0.048 0.000 1.093 122 D CA -0.191 53.793 54.000 -0.027 0.000 0.845 122 D CB 2.648 43.434 40.800 -0.024 0.000 1.124 122 D HN 0.183 nan 8.370 nan 0.000 0.467 123 L N 2.837 124.035 121.223 -0.042 0.000 2.277 123 L HA 0.299 4.639 4.340 -0.001 0.000 0.284 123 L C -0.473 176.376 176.870 -0.035 0.000 1.028 123 L CA -0.305 54.499 54.840 -0.061 0.000 0.835 123 L CB 0.396 42.403 42.059 -0.087 0.000 1.215 123 L HN 0.115 nan 8.230 nan 0.000 0.425 124 K N 2.892 123.251 120.400 -0.068 0.000 2.156 124 K HA 0.723 5.043 4.320 -0.001 0.000 0.254 124 K C -0.608 175.934 176.600 -0.097 0.000 0.950 124 K CA -0.711 55.529 56.287 -0.079 0.000 0.849 124 K CB 2.045 34.509 32.500 -0.059 0.000 1.100 124 K HN 0.577 nan 8.250 nan 0.000 0.434 125 T N 1.478 115.969 114.554 -0.106 0.000 2.900 125 T HA 0.547 4.897 4.350 -0.001 0.000 0.303 125 T C -1.492 173.233 174.700 0.042 0.000 1.142 125 T CA -0.714 61.323 62.100 -0.105 0.000 1.007 125 T CB 0.787 69.394 68.868 -0.435 0.000 1.156 125 T HN 0.429 nan 8.240 nan 0.000 0.490 126 I N 4.234 124.879 120.570 0.125 0.000 2.420 126 I HA 0.449 4.619 4.170 -0.001 0.000 0.282 126 I C -1.093 175.183 176.117 0.264 0.000 1.019 126 I CA -0.873 60.520 61.300 0.155 0.000 1.130 126 I CB 1.551 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 7.126 128.535 121.223 0.310 0.000 2.329 127 L HA 0.576 4.915 4.340 -0.001 0.000 0.279 127 L C -1.084 175.943 176.870 0.261 0.000 1.014 127 L CA -0.217 54.812 54.840 0.316 0.000 0.814 127 L CB 1.237 43.521 42.059 0.376 0.000 1.257 127 L HN 0.479 nan 8.230 nan 0.000 0.424 128 H N 2.220 121.340 119.070 0.082 0.000 3.018 128 H HA 0.635 5.191 4.556 -0.001 0.000 0.334 128 H C -0.617 174.777 175.328 0.109 0.000 0.983 128 H CA 0.110 56.211 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 0.235 174.723 174.700 -0.354 0.000 0.993 129 T CA -0.381 61.586 62.100 -0.221 0.000 1.010 129 T CB 0.952 69.773 68.868 -0.078 0.000 1.642 129 T HN 0.673 nan 8.240 nan 0.000 0.587 130 N N -1.438 117.174 118.700 -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 -0.070 0.000 1.386 130 N CA -0.434 52.541 53.050 -0.126 0.000 1.332 130 N CB -1.177 37.244 38.487 -0.111 0.000 1.256 130 N HN 0.800 nan 8.380 nan 0.000 0.587 131 M N 1.315 120.831 119.600 -0.140 0.000 2.249 131 M HA 0.286 4.765 4.480 -0.001 0.000 0.340 131 M C -2.325 173.733 176.300 -0.403 0.000 1.166 131 M CA -0.404 54.594 55.300 -0.505 0.000 1.115 131 M CB 0.660 32.925 32.600 -0.558 0.000 1.606 131 M HN -0.034 nan 8.290 nan 0.000 0.448 132 P HA 0.285 nan 4.420 nan 0.000 0.280 132 P C -0.455 176.668 177.300 -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 0.420 118.968 118.700 -0.253 0.000 1.997 133 N HA -0.119 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 1.612 54.545 53.050 -0.194 0.000 0.860 133 N CB -0.755 37.614 38.487 -0.196 0.000 1.063 133 N HN 0.289 nan 8.380 nan 0.000 0.424 134 V N -0.716 119.060 119.914 -0.229 0.000 2.532 134 V HA 0.711 4.831 4.120 -0.001 0.000 0.295 134 V C -0.647 175.383 176.094 -0.108 0.000 1.041 134 V CA -0.747 61.488 62.300 -0.108 0.000 0.926 134 V CB 1.089 32.907 31.823 -0.008 0.000 0.992 134 V HN 0.725 nan 8.190 nan 0.000 0.457 135 N N 0.881 119.566 118.700 -0.024 0.000 3.545 135 N HA 0.188 4.928 4.740 -0.001 0.000 0.227 135 N C -1.279 174.257 175.510 0.044 0.000 1.380 135 N CA -0.468 52.589 53.050 0.012 0.000 0.892 135 N CB 1.448 39.926 38.487 -0.016 0.000 1.441 135 N HN 0.945 nan 8.380 nan 0.000 0.497 136 E N 0.663 120.898 120.200 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 56.067 56.400 -0.014 0.000 0.862 136 E CB 0.052 29.754 29.700 0.003 0.000 1.066 136 E HN 0.611 nan 8.360 nan 0.000 0.396 137 F N 3.465 123.198 119.950 -0.361 0.000 1.649 137 F HA -0.072 4.455 4.527 -0.001 0.000 0.334 137 F C 0.119 175.683 175.800 -0.393 0.000 1.185 137 F CA -0.084 57.721 58.000 -0.327 0.000 1.231 137 F CB -0.085 38.922 39.000 0.011 0.000 1.896 137 F HN 0.422 nan 8.300 nan 0.000 0.163 138 M N 1.306 120.915 119.600 0.016 0.000 2.495 138 M HA 0.294 4.774 4.480 -0.001 0.000 0.237 138 M C -0.359 176.110 176.300 0.282 0.000 1.131 138 M CA 0.268 55.651 55.300 0.139 0.000 1.032 138 M CB -1.497 31.191 32.600 0.147 0.000 1.513 138 M HN 0.318 nan 8.290 nan 0.000 0.488 139 F N 0.736 120.722 119.950 0.061 0.000 2.807 139 F HA -0.242 4.285 4.527 -0.001 0.000 0.297 139 F C 0.864 176.726 175.800 0.103 0.000 1.024 139 F CA 0.906 58.954 58.000 0.079 0.000 1.008 139 F CB -2.645 36.397 39.000 0.068 0.000 1.142 139 F HN 0.287 nan 8.300 nan 0.000 0.829 140 T N -3.972 110.701 114.554 0.198 0.000 3.275 140 T HA 0.182 4.532 4.350 -0.001 0.000 0.298 140 T C 0.862 175.667 174.700 0.174 0.000 0.988 140 T CA 0.255 62.457 62.100 0.170 0.000 0.936 140 T CB 0.106 69.028 68.868 0.091 0.000 1.159 140 T HN 0.484 nan 8.240 nan 0.000 0.519 141 N N 0.792 119.605 118.700 0.187 0.000 2.197 141 N HA 0.212 4.952 4.740 -0.001 0.000 0.228 141 N C -0.299 175.353 175.510 0.238 0.000 1.212 141 N CA -0.493 52.675 53.050 0.197 0.000 0.883 141 N CB 0.647 39.215 38.487 0.136 0.000 1.107 141 N HN 0.341 nan 8.380 nan 0.000 0.519 142 K N 0.426 120.997 120.400 0.285 0.000 2.482 142 K HA 0.511 4.831 4.320 -0.001 0.000 0.257 142 K C -1.691 175.151 176.600 0.403 0.000 0.969 142 K CA -0.791 55.657 56.287 0.268 0.000 0.842 142 K CB 2.301 34.916 32.500 0.191 0.000 1.359 142 K HN 0.114 nan 8.250 nan 0.000 0.441 143 F N -1.179 118.870 119.950 0.164 0.000 2.656 143 F HA 0.357 4.884 4.527 -0.001 0.000 0.326 143 F C -1.667 174.195 175.800 0.102 0.000 1.109 143 F CA -1.048 56.995 58.000 0.071 0.000 1.086 143 F CB 0.789 39.795 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 0.045 0.000 2.205 144 K HA 0.848 5.167 4.320 -0.001 0.000 0.279 144 K C -0.525 176.239 176.600 0.274 0.000 1.027 144 K CA -0.495 55.822 56.287 0.050 0.000 0.932 144 K CB 1.703 34.223 32.500 0.034 0.000 1.032 144 K HN 0.878 nan 8.250 nan 0.000 0.466 145 A N 2.785 125.824 122.820 0.366 0.000 2.539 145 A HA 0.543 4.862 4.320 -0.001 0.000 0.296 145 A C -1.272 176.420 177.584 0.180 0.000 1.073 145 A CA -0.834 51.455 52.037 0.420 0.000 0.700 145 A CB 1.460 20.792 19.000 0.553 0.000 1.296 145 A HN 0.787 nan 8.150 nan 0.000 0.405 146 R N 0.897 121.202 120.500 -0.325 0.000 2.295 146 R HA 0.634 4.974 4.340 -0.001 0.000 0.324 146 R C -0.740 175.299 176.300 -0.435 0.000 0.968 146 R CA -0.295 55.335 56.100 -0.783 0.000 0.837 146 R CB 1.000 30.189 30.300 -1.851 0.000 1.133 146 R HN 1.001 nan 8.270 nan 0.000 0.450 147 V N 1.264 121.034 119.914 -0.240 0.000 3.155 147 V HA 0.560 4.680 4.120 -0.001 0.000 0.313 147 V C -0.051 176.112 176.094 0.115 0.000 1.162 147 V CA -1.396 60.846 62.300 -0.096 0.000 1.048 147 V CB 1.876 33.709 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 0.442 4.922 4.480 -0.001 0.000 0.354 148 M C 0.071 176.531 176.300 0.267 0.000 1.225 148 M CA 0.124 55.680 55.300 0.426 0.000 1.137 148 M CB 1.464 34.280 32.600 0.361 0.000 1.576 148 M HN 0.750 nan 8.290 nan 0.000 0.461 149 V N 2.959 122.977 119.914 0.173 0.000 3.451 149 V HA 0.332 4.451 4.120 -0.001 0.000 0.288 149 V C -0.412 175.716 176.094 0.057 0.000 1.502 149 V CA 0.618 63.011 62.300 0.155 0.000 1.026 149 V CB 1.018 32.933 31.823 0.153 0.000 0.840 149 V HN 0.875 nan 8.190 nan 0.000 0.437 150 S N 0.663 116.362 115.700 -0.001 0.000 2.548 150 S HA 0.616 5.086 4.470 -0.001 0.000 0.278 150 S C -1.154 173.405 174.600 -0.068 0.000 1.150 150 S CA -0.678 57.503 58.200 -0.033 0.000 0.907 150 S CB 1.625 64.799 63.200 -0.044 0.000 1.108 150 S HN 0.431 nan 8.310 nan 0.000 0.459 151 R N 2.567 123.044 120.500 -0.037 0.000 2.539 151 R HA 0.562 4.902 4.340 -0.001 0.000 0.295 151 R C -1.462 174.823 176.300 -0.026 0.000 1.138 151 R CA -0.148 55.928 56.100 -0.041 0.000 0.936 151 R CB 1.088 31.382 30.300 -0.010 0.000 1.182 151 R HN 0.799 nan 8.270 nan 0.000 0.459 152 S N 3.238 118.917 115.700 -0.035 0.000 2.546 152 S HA 0.380 4.850 4.470 -0.001 0.000 0.274 152 S C -0.489 174.097 174.600 -0.023 0.000 1.121 152 S CA -0.934 57.252 58.200 -0.024 0.000 0.887 152 S CB 1.689 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 3.295 124.509 121.223 -0.015 0.000 2.536 153 L HA 0.210 4.550 4.340 -0.001 0.000 0.282 153 L C 0.421 177.283 176.870 -0.013 0.000 1.174 153 L CA 0.028 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 3.315 117.859 114.554 -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 69.368 68.868 -0.016 0.000 1.025 154 T HN 0.580 nan 8.240 nan 0.000 0.549 155 K N 1.155 121.549 120.400 -0.009 0.000 2.184 155 K HA -0.242 4.077 4.320 -0.001 0.000 0.210 155 K C 1.334 177.932 176.600 -0.005 0.000 1.048 155 K CA 2.054 58.337 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 0.549 nan 8.250 nan 0.000 0.465 156 D N -0.695 119.702 120.400 -0.004 0.000 2.394 156 D HA 0.045 4.685 4.640 -0.001 0.000 0.237 156 D C 1.230 177.529 176.300 -0.003 0.000 1.028 156 D CA 0.953 54.952 54.000 -0.003 0.000 0.937 156 D CB 0.273 41.072 40.800 -0.002 0.000 1.072 156 D HN 0.063 nan 8.370 nan 0.000 0.457 157 K N -1.374 119.024 120.400 -0.003 0.000 2.191 157 K HA 0.095 4.414 4.320 -0.001 0.000 0.154 157 K C 0.036 176.634 176.600 -0.003 0.000 1.928 157 K CA -0.038 56.247 56.287 -0.003 0.000 1.002 157 K CB 1.078 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 1.059 120.856 119.800 -0.004 0.000 2.237 158 Q HA 0.424 4.764 4.340 -0.001 0.000 0.219 158 Q C -0.071 175.924 176.000 -0.009 0.000 0.999 158 Q CA -0.531 55.270 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 -2.690 117.217 119.914 -0.012 0.000 3.113 159 V HA 0.624 4.743 4.120 -0.001 0.000 0.316 159 V C -1.051 175.024 176.094 -0.032 0.000 1.125 159 V CA -0.785 61.504 62.300 -0.020 0.000 1.026 159 V CB 2.007 33.818 31.823 -0.019 0.000 1.080 159 V HN 0.842 nan 8.190 nan 0.000 0.444 160 E N 1.199 121.372 120.200 -0.046 0.000 2.234 160 E HA 0.652 5.001 4.350 -0.001 0.000 0.266 160 E C -1.801 174.730 176.600 -0.115 0.000 0.877 160 E CA -0.778 55.581 56.400 -0.069 0.000 0.758 160 E CB 2.002 31.668 29.700 -0.058 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 -0.520 176.062 176.870 -0.480 0.000 0.989 161 L CA -0.655 53.978 54.840 -0.346 0.000 0.841 161 L CB 1.580 43.420 42.059 -0.365 0.000 1.225 161 L HN 0.346 nan 8.230 nan 0.000 0.414 162 K N 3.172 123.305 120.400 -0.444 0.000 2.221 162 K HA 0.609 4.929 4.320 -0.001 0.000 0.258 162 K C -1.435 174.931 176.600 -0.391 0.000 0.944 162 K CA -0.634 55.454 56.287 -0.332 0.000 0.823 162 K CB 2.368 34.785 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 0.046 175.885 175.900 -0.101 0.000 1.065 163 Y CA -0.824 57.220 58.100 -0.093 0.000 1.126 163 Y CB 2.398 40.764 38.460 -0.157 0.000 1.279 163 Y HN 0.576 nan 8.280 nan 0.000 0.489 164 E N 0.346 120.568 120.200 0.036 0.000 2.407 164 E HA 0.283 4.633 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 -0.777 55.615 56.400 -0.014 0.000 0.800 164 E CB 1.387 31.124 29.700 0.062 0.000 1.276 164 E HN 0.562 nan 8.360 nan 0.000 0.452 165 W N 2.764 124.051 121.300 -0.023 0.000 2.351 165 W HA 0.476 5.136 4.660 -0.001 0.000 0.311 165 W C -0.431 175.987 176.519 -0.167 0.000 1.168 165 W CA -0.326 56.971 57.345 -0.081 0.000 1.200 165 W CB 1.464 30.890 29.460 -0.056 0.000 1.221 165 W HN 0.289 nan 8.180 nan 0.000 0.519 166 V N -0.044 119.814 119.914 -0.094 0.000 2.876 166 V HA 0.521 4.640 4.120 -0.001 0.000 0.312 166 V C -0.849 174.858 176.094 -0.645 0.000 1.085 166 V CA -1.568 60.488 62.300 -0.406 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 2.103 121.980 120.200 -0.537 0.000 2.134 167 E HA 0.599 4.948 4.350 -0.001 0.000 0.278 167 E C -1.699 174.567 176.600 -0.556 0.000 0.959 167 E CA -0.583 55.545 56.400 -0.455 0.000 0.783 167 E CB 1.057 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 0.590 176.275 175.800 -0.191 0.000 1.093 168 F CA -0.746 57.076 58.000 -0.297 0.000 1.003 168 F CB 1.963 40.718 39.000 -0.409 0.000 1.151 168 F HN 0.274 nan 8.300 nan 0.000 0.474 169 T N 0.917 115.570 114.554 0.165 0.000 2.863 169 T HA 0.778 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 -0.906 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 2.721 124.079 121.223 0.225 0.000 2.399 170 L HA 0.557 4.897 4.340 -0.001 0.000 0.265 170 L C -1.851 175.141 176.870 0.202 0.000 1.089 170 L CA -2.494 52.484 54.840 0.230 0.000 0.802 170 L CB 0.823 43.050 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 0.835 32.641 31.700 0.177 0.000 0.879 172 E N 1.113 121.395 120.200 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 0.008 0.000 1.004 172 E CA 0.686 57.125 56.400 0.065 0.000 0.928 172 E CB 0.262 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 2.120 110.780 108.800 -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 -1.628 172.771 174.900 -0.836 0.000 1.399 173 G CA -0.968 43.889 45.100 -0.406 0.000 0.833 173 G HN 0.445 nan 8.290 nan 0.000 0.565 174 N N -0.083 118.271 118.700 -0.577 0.000 2.425 174 N HA 0.660 5.400 4.740 -0.001 0.000 0.268 174 N C -0.958 174.327 175.510 -0.374 0.000 0.991 174 N CA -0.336 52.438 53.050 -0.461 0.000 0.931 174 N CB 0.438 38.799 38.487 -0.210 0.000 1.130 174 N HN 0.384 nan 8.380 nan 0.000 0.493 175 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 1.036 176.904 175.900 -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 -0.268 115.529 115.700 0.162 0.000 2.730 176 S HA 0.122 4.591 4.470 -0.001 0.000 0.284 176 S C 1.202 175.814 174.600 0.019 0.000 1.153 176 S CA -0.608 57.616 58.200 0.041 0.000 0.995 176 S CB 1.093 64.283 63.200 -0.016 0.000 1.058 176 S HN 0.744 nan 8.310 nan 0.000 0.552 177 E N 0.459 120.650 120.200 -0.015 0.000 2.107 177 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 177 E C 1.647 178.196 176.600 -0.085 0.000 0.982 177 E CA 1.741 58.112 56.400 -0.048 0.000 0.809 177 E CB -0.223 29.447 29.700 -0.050 0.000 0.756 177 E HN 0.780 nan 8.360 nan 0.000 0.459 178 T N -0.898 113.602 114.554 -0.090 0.000 2.815 178 T HA -0.065 4.285 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 0.737 62.761 62.100 -0.128 0.000 1.176 178 T CB -0.582 68.215 68.868 -0.118 0.000 0.880 178 T HN 0.085 nan 8.240 nan 0.000 0.414 179 M N 1.538 121.022 119.600 -0.193 0.000 2.327 179 M HA -0.193 4.287 4.480 -0.001 0.000 0.258 179 M C 2.005 178.108 176.300 -0.329 0.000 1.079 179 M CA 1.717 56.833 55.300 -0.306 0.000 1.056 179 M CB -0.775 31.676 32.600 -0.248 0.000 1.387 179 M HN 0.455 nan 8.290 nan 0.000 0.423 180 T N 0.843 115.284 114.554 -0.189 0.000 2.668 180 T HA -0.114 4.236 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 1.553 63.576 62.100 -0.128 0.000 1.152 180 T CB -0.275 68.592 68.868 -0.001 0.000 0.864 180 T HN 0.382 nan 8.240 nan 0.000 0.419 181 I N 1.611 122.059 120.570 -0.202 0.000 2.074 181 I HA -0.331 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 62.962 61.300 -0.221 0.000 1.301 181 I CB -0.624 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 0.689 120.952 120.400 -0.228 0.000 2.154 182 D HA -0.220 4.420 4.640 -0.001 0.000 0.190 182 D C 2.135 178.363 176.300 -0.121 0.000 1.003 182 D CA 1.180 55.000 54.000 -0.300 0.000 0.849 182 D CB -0.459 39.844 40.800 -0.829 0.000 0.942 182 D HN 0.146 nan 8.370 nan 0.000 0.446 183 L N -0.027 121.103 121.223 -0.155 0.000 2.081 183 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 183 L C 2.265 179.194 176.870 0.097 0.000 1.080 183 L CA 1.498 56.342 54.840 0.007 0.000 0.754 183 L CB -0.775 41.205 42.059 -0.133 0.000 0.893 183 L HN 0.233 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 1.329 56.705 55.300 0.126 0.000 1.133 184 M CB -0.498 31.954 32.600 -0.247 0.000 1.344 184 M HN 0.216 nan 8.290 nan 0.000 0.414 185 N N 0.924 119.750 118.700 0.211 0.000 2.069 185 N HA -0.193 4.547 4.740 -0.001 0.000 0.191 185 N C 1.435 177.048 175.510 0.170 0.000 1.031 185 N CA 1.748 54.919 53.050 0.202 0.000 0.852 185 N CB -0.738 37.855 38.487 0.176 0.000 1.018 185 N HN 0.375 nan 8.380 nan 0.000 0.423 186 N N 1.084 119.919 118.700 0.223 0.000 2.043 186 N HA -0.132 4.607 4.740 -0.001 0.000 0.193 186 N C 1.516 177.124 175.510 0.164 0.000 1.037 186 N CA 1.969 55.157 53.050 0.231 0.000 0.851 186 N CB -0.429 38.238 38.487 0.299 0.000 1.027 186 N HN 0.197 nan 8.380 nan 0.000 0.422 187 A N 0.110 123.018 122.820 0.146 0.000 2.076 187 A HA -0.092 4.228 4.320 -0.001 0.000 0.220 187 A C 2.069 179.614 177.584 -0.065 0.000 1.160 187 A CA 1.036 53.143 52.037 0.116 0.000 0.653 187 A CB -0.620 18.479 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 0.930 62.033 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 0.826 120.832 119.914 0.154 0.000 2.233 189 V HA -0.293 3.826 4.120 -0.001 0.000 0.247 189 V C 2.454 178.747 176.094 0.331 0.000 1.050 189 V CA 1.883 64.349 62.300 0.277 0.000 1.010 189 V CB -0.699 31.285 31.823 0.269 0.000 0.637 189 V HN 0.381 nan 8.190 nan 0.000 0.444 190 E N -0.995 119.355 120.200 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 0.254 0.000 1.014 190 E CA 1.618 58.148 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 -0.842 118.381 119.070 0.256 0.000 2.384 191 H HA -0.134 4.422 4.556 -0.001 0.000 0.300 191 H C 1.927 177.392 175.328 0.228 0.000 1.057 191 H CA 1.450 57.659 56.048 0.269 0.000 1.370 191 H CB -0.376 29.668 29.762 0.469 0.000 1.417 191 H HN 0.287 nan 8.280 nan 0.000 0.527 192 Y N 1.921 122.402 120.300 0.302 0.000 2.298 192 Y HA -0.223 4.326 4.550 -0.001 0.000 0.287 192 Y C 2.235 178.167 175.900 0.054 0.000 1.164 192 Y CA 1.579 59.791 58.100 0.188 0.000 1.229 192 Y CB -0.494 38.087 38.460 0.201 0.000 0.977 192 Y HN 0.158 nan 8.280 nan 0.000 0.538 193 L N 0.206 121.398 121.223 -0.053 0.000 2.034 193 L HA -0.157 4.183 4.340 -0.001 0.000 0.203 193 L C 2.517 179.270 176.870 -0.195 0.000 1.074 193 L CA 1.731 56.463 54.840 -0.180 0.000 0.748 193 L CB -0.831 41.223 42.059 -0.008 0.000 0.905 193 L HN 0.039 nan 8.230 nan 0.000 0.439 194 K N -0.248 120.069 120.400 -0.138 0.000 2.360 194 K HA -0.132 4.187 4.320 -0.001 0.000 0.201 194 K C 1.244 177.717 176.600 -0.212 0.000 1.046 194 K CA 1.029 57.229 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 0.173 nan 8.250 nan 0.000 0.465 195 V N -2.165 117.564 119.914 -0.309 0.000 4.454 195 V HA 0.079 4.199 4.120 -0.001 0.000 0.159 195 V C 1.850 177.812 176.094 -0.221 0.000 1.262 195 V CA 0.551 62.688 62.300 -0.271 0.000 1.223 195 V CB -0.665 30.946 31.823 -0.353 0.000 1.452 195 V HN 0.371 nan 8.190 nan 0.000 0.595 196 G N 2.528 111.223 108.800 -0.175 0.000 2.907 196 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.235 196 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.235 196 G C 1.463 176.258 174.900 -0.175 0.000 1.198 196 G CA 2.769 47.848 45.100 -0.035 0.000 0.766 196 G HN 0.698 nan 8.290 nan 0.000 0.763 197 R N 0.105 120.227 120.500 -0.629 0.000 2.162 197 R HA -0.234 4.106 4.340 -0.001 0.000 0.245 197 R C 2.050 178.252 176.300 -0.162 0.000 1.129 197 R CA 2.178 58.044 56.100 -0.389 0.000 0.940 197 R CB -1.126 28.805 30.300 -0.616 0.000 0.875 197 R HN 0.554 nan 8.270 nan 0.000 0.437 198 Q N 1.245 120.929 119.800 -0.193 0.000 2.271 198 Q HA 0.097 4.436 4.340 -0.001 0.000 0.206 198 Q C -0.393 175.563 176.000 -0.073 0.000 0.860 198 Q CA 0.171 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 -0.633 118.037 118.700 -0.051 0.000 2.628 199 N HA 0.045 4.784 4.740 -0.001 0.000 0.235 199 N C -0.088 175.419 175.510 -0.004 0.000 1.390 199 N CA 0.570 53.604 53.050 -0.027 0.000 1.380 199 N CB 1.139 39.608 38.487 -0.030 0.000 1.444 199 N HN 0.440 nan 8.380 nan 0.000 0.573 200 G N 0.129 108.934 108.800 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 0.040 174.978 174.900 0.063 0.000 0.986 200 G CA 0.627 45.744 45.100 0.027 0.000 0.683 200 G HN 0.215 nan 8.290 nan 0.000 0.527 201 V N 1.569 121.545 119.914 0.103 0.000 2.383 201 V HA 0.553 4.673 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 -0.512 61.906 62.300 0.197 0.000 0.889 201 V CB 1.429 33.413 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 1.723 178.637 176.870 0.074 0.000 1.051 202 L CA -0.476 54.477 54.840 0.188 0.000 0.804 202 L CB 1.292 43.420 42.059 0.115 0.000 1.197 202 L HN 0.774 nan 8.230 nan 0.000 0.431 203 E N 0.544 120.744 120.200 0.000 0.000 2.208 203 E HA -0.261 4.089 4.350 -0.001 0.000 0.202 203 E C 1.380 177.871 176.600 -0.181 0.000 1.014 203 E CA 1.720 57.958 56.400 -0.271 0.000 0.819 203 E CB -0.289 29.398 29.700 -0.022 0.000 0.735 203 E HN 0.639 nan 8.360 nan 0.000 0.469 204 S N 1.637 117.322 115.700 -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 0.016 0.000 0.977 204 S CA 1.431 59.641 58.200 0.017 0.000 0.958 204 S CB -0.280 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 -1.020 119.372 120.400 -0.013 0.000 2.740 205 D HA 0.149 4.789 4.640 -0.001 0.000 0.305 205 D C -0.212 176.078 176.300 -0.016 0.000 1.583 205 D CA -0.437 53.576 54.000 0.022 0.000 0.790 205 D CB -0.824 40.004 40.800 0.047 0.000 1.187 205 D HN 0.232 nan 8.370 nan 0.000 0.447 206 I N 1.353 121.843 120.570 -0.133 0.000 2.587 206 I HA 0.206 4.376 4.170 -0.001 0.000 0.284 206 I C 1.903 177.914 176.117 -0.176 0.000 1.134 206 I CA 0.185 61.379 61.300 -0.177 0.000 1.410 206 I CB 1.296 39.094 38.000 -0.337 0.000 1.392 206 I HN 0.238 nan 8.210 nan 0.000 0.545 207 G N 6.618 115.330 108.800 -0.147 0.000 2.422 207 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.218 207 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.218 207 G C 0.603 175.318 174.900 -0.309 0.000 1.146 207 G CA 0.849 45.812 45.100 -0.229 0.000 0.769 207 G HN 0.554 nan 8.290 nan 0.000 0.547 208 V N -2.845 116.881 119.914 -0.313 0.000 2.656 208 V HA 0.835 4.955 4.120 -0.001 0.000 0.307 208 V C -0.844 174.959 176.094 -0.485 0.000 1.051 208 V CA -1.388 60.665 62.300 -0.412 0.000 0.893 208 V CB 2.002 33.581 31.823 -0.406 0.000 0.999 208 V HN 0.147 nan 8.190 nan 0.000 0.426 209 K N 3.688 123.739 120.400 -0.582 0.000 2.525 209 K HA 0.627 4.947 4.320 -0.001 0.000 0.254 209 K C -2.118 174.183 176.600 -0.497 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 3.525 123.429 119.950 -0.076 0.000 2.361 210 F HA 0.259 4.785 4.527 -0.001 0.000 0.364 210 F C 0.663 176.445 175.800 -0.029 0.000 1.117 210 F CA -0.434 57.534 58.000 -0.054 0.000 1.071 210 F CB 1.178 40.123 39.000 -0.091 0.000 1.188 210 F HN 0.580 nan 8.300 nan 0.000 0.464 211 D N 1.112 121.614 120.400 0.170 0.000 2.568 211 D HA 0.360 5.000 4.640 -0.001 0.000 0.219 211 D C 0.409 176.769 176.300 0.100 0.000 1.239 211 D CA 0.128 54.211 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 -2.016 112.573 114.554 0.058 0.000 4.440 212 T HA 0.157 4.507 4.350 -0.001 0.000 0.320 212 T C -0.002 174.661 174.700 -0.062 0.000 0.880 212 T CA -0.559 61.538 62.100 -0.004 0.000 0.813 212 T CB -0.248 68.593 68.868 -0.045 0.000 1.037 212 T HN 0.544 nan 8.240 nan 0.000 0.588 213 R N 0.736 121.141 120.500 -0.158 0.000 2.873 213 R HA 0.568 4.908 4.340 -0.001 0.000 0.264 213 R C -0.679 175.426 176.300 -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 1.258 119.815 118.700 -0.238 0.000 2.508 214 N HA 0.068 4.808 4.740 -0.001 0.000 0.253 214 N C -0.738 174.709 175.510 -0.104 0.000 1.145 214 N CA -0.458 52.504 53.050 -0.148 0.000 0.973 214 N CB 0.122 38.432 38.487 -0.294 0.000 1.305 214 N HN 0.459 nan 8.380 nan 0.000 0.506 215 F N 3.136 123.103 119.950 0.028 0.000 2.646 215 F HA -0.017 4.509 4.527 -0.001 0.000 0.320 215 F C 1.145 176.978 175.800 0.054 0.000 1.307 215 F CA 0.269 58.243 58.000 -0.043 0.000 1.431 215 F CB -0.237 38.619 39.000 -0.239 0.000 1.297 215 F HN 0.591 nan 8.300 nan 0.000 0.556 216 R N -1.533 119.070 120.500 0.173 0.000 2.418 216 R HA 0.128 4.468 4.340 -0.001 0.000 0.218 216 R C -0.605 175.728 176.300 0.055 0.000 1.151 216 R CA -0.099 56.074 56.100 0.122 0.000 1.221 216 R CB -0.933 29.295 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 4.603 4.340 -0.001 0.000 0.200 217 L C 2.357 179.292 176.870 0.109 0.000 1.075 217 L CA 1.539 56.415 54.840 0.059 0.000 0.768 217 L CB -0.222 41.849 42.059 0.021 0.000 0.933 217 L HN 0.575 nan 8.230 nan 0.000 0.451 218 G N -0.132 108.744 108.800 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 -0.287 44.869 45.100 0.093 0.000 0.766 218 G HN 0.154 nan 8.290 nan 0.000 0.552 219 F N 1.744 121.705 119.950 0.019 0.000 2.594 219 F HA 0.007 4.534 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 0.039 58.049 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 8.771 128.760 120.400 -0.685 0.000 2.381 220 D HA 0.204 4.843 4.640 -0.001 0.000 0.235 220 D C -1.641 174.285 176.300 -0.623 0.000 1.068 220 D CA -1.976 51.762 54.000 -0.437 0.000 0.832 220 D CB 1.974 42.581 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 0.863 64.043 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 -0.210 119.641 119.914 -0.105 0.000 2.690 222 V HA -0.055 4.064 4.120 -0.001 0.000 0.240 222 V C 2.712 178.719 176.094 -0.144 0.000 1.078 222 V CA 2.270 64.516 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 -1.141 113.291 114.554 -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 1.447 63.424 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 1.698 nan 8.240 nan 0.000 0.509 224 G N 0.883 109.445 108.800 -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 -0.167 174.532 174.900 -0.335 0.000 1.025 224 G CA 0.575 45.451 45.100 -0.372 0.000 0.769 224 G HN 0.697 nan 8.290 nan 0.000 0.507 225 L N -1.354 119.571 121.223 -0.498 0.000 2.409 225 L HA 0.506 4.846 4.340 -0.001 0.000 0.255 225 L C 0.546 177.288 176.870 -0.214 0.000 1.027 225 L CA -1.402 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 -0.158 nan 8.230 nan 0.000 0.411 226 V N 3.040 122.945 119.914 -0.016 0.000 2.149 226 V HA -0.021 4.099 4.120 -0.001 0.000 0.245 226 V C 1.473 177.516 176.094 -0.085 0.000 1.349 226 V CA -0.171 62.136 62.300 0.012 0.000 1.289 226 V CB -0.017 31.830 31.823 0.040 0.000 1.401 226 V HN 0.702 nan 8.190 nan 0.000 0.501 227 M N 3.604 123.126 119.600 -0.130 0.000 2.345 227 M HA -0.209 4.271 4.480 -0.001 0.000 0.253 227 M C -0.004 176.211 176.300 -0.142 0.000 1.068 227 M CA 2.335 57.537 55.300 -0.164 0.000 1.069 227 M CB -2.484 30.013 32.600 -0.172 0.000 1.292 227 M HN 0.346 nan 8.290 nan 0.000 0.430 228 P HA -0.002 nan 4.420 nan 0.000 0.234 228 P C 0.791 178.046 177.300 -0.076 0.000 1.162 228 P CA 1.657 64.714 63.100 -0.072 0.000 0.759 228 P CB -0.340 31.339 31.700 -0.034 0.000 0.813 229 G N -1.945 106.793 108.800 -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 0.117 174.949 174.900 -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 -0.178 119.662 119.914 -0.123 0.000 2.711 230 V HA 0.399 4.519 4.120 -0.001 0.000 0.304 230 V C -0.265 175.788 176.094 -0.069 0.000 1.097 230 V CA -1.502 60.741 62.300 -0.095 0.000 0.906 230 V CB 1.546 33.366 31.823 -0.004 0.000 1.015 230 V HN 0.257 nan 8.190 nan 0.000 0.427 231 Y N 1.961 122.339 120.300 0.129 0.000 2.650 231 Y HA 0.108 4.658 4.550 -0.001 0.000 0.342 231 Y C 1.523 177.437 175.900 0.023 0.000 1.110 231 Y CA 0.386 58.548 58.100 0.103 0.000 1.438 231 Y CB 0.637 39.207 38.460 0.182 0.000 1.181 231 Y HN 0.698 nan 8.280 nan 0.000 0.526 232 T N 4.211 118.853 114.554 0.147 0.000 2.695 232 T HA -0.131 4.219 4.350 -0.001 0.000 0.264 232 T C 0.969 175.713 174.700 0.074 0.000 0.993 232 T CA -0.524 61.634 62.100 0.097 0.000 1.248 232 T CB -0.551 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 4.938 123.670 118.700 0.054 0.000 2.747 233 N HA -0.049 4.691 4.740 -0.001 0.000 0.252 233 N C -0.167 175.349 175.510 0.009 0.000 1.352 233 N CA 0.103 53.161 53.050 0.013 0.000 0.960 233 N CB -0.144 38.355 38.487 0.020 0.000 1.303 233 N HN 0.620 nan 8.380 nan 0.000 0.518 234 E N 0.095 120.339 120.200 0.073 0.000 2.277 234 E HA 0.396 4.746 4.350 -0.001 0.000 0.274 234 E C -0.537 175.988 176.600 -0.126 0.000 1.022 234 E CA -0.667 55.721 56.400 -0.019 0.000 0.853 234 E CB 1.752 31.480 29.700 0.047 0.000 1.086 234 E HN 0.429 nan 8.360 nan 0.000 0.397 235 A N 2.921 125.539 122.820 -0.336 0.000 2.366 235 A HA 0.446 4.765 4.320 -0.001 0.000 0.272 235 A C -0.782 176.447 177.584 -0.592 0.000 1.135 235 A CA -0.101 51.752 52.037 -0.308 0.000 0.804 235 A CB -0.293 18.576 19.000 -0.217 0.000 1.064 235 A HN 0.481 nan 8.150 nan 0.000 0.499 236 F N 3.416 123.275 119.950 -0.153 0.000 2.794 236 F HA 0.318 4.845 4.527 -0.001 0.000 0.353 236 F C 0.082 175.781 175.800 -0.169 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 0.409 119.453 119.070 -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 -0.683 55.358 56.048 -0.011 0.000 0.743 237 H CB 0.227 30.042 29.762 0.089 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 -0.267 177.153 177.300 0.201 0.000 1.193 238 P CA 0.928 63.952 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 1.133 121.672 120.400 0.232 0.000 2.744 239 D HA 0.534 5.174 4.640 -0.001 0.000 0.304 239 D C -1.054 175.431 176.300 0.308 0.000 1.179 239 D CA -0.489 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 -0.043 120.711 120.570 0.306 0.000 2.534 240 I HA 0.359 4.529 4.170 -0.001 0.000 0.288 240 I C -0.855 175.303 176.117 0.069 0.000 1.077 240 I CA -0.802 60.586 61.300 0.148 0.000 1.051 240 I CB 1.931 40.015 38.000 0.140 0.000 1.234 240 I HN 0.272 nan 8.210 nan 0.000 0.425 241 I N 6.944 127.442 120.570 -0.120 0.000 2.355 241 I HA 0.430 4.600 4.170 -0.001 0.000 0.288 241 I C -0.255 175.697 176.117 -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 39.050 38.000 -0.365 0.000 1.316 241 I HN 0.323 nan 8.210 nan 0.000 0.454 242 L N 6.120 127.257 121.223 -0.143 0.000 2.347 242 L HA 0.657 4.997 4.340 -0.001 0.000 0.268 242 L C -0.379 176.404 176.870 -0.145 0.000 1.019 242 L CA -0.942 53.815 54.840 -0.138 0.000 0.806 242 L CB 1.824 43.901 42.059 0.029 0.000 1.339 242 L HN 0.447 nan 8.230 nan 0.000 0.463 243 L N -0.454 120.584 121.223 -0.308 0.000 2.277 243 L HA 0.526 4.866 4.340 -0.001 0.000 0.254 243 L C -2.477 173.660 176.870 -1.222 0.000 1.044 243 L CA -1.835 52.718 54.840 -0.478 0.000 0.842 243 L CB 3.004 44.916 42.059 -0.246 0.000 1.422 243 L HN 0.241 nan 8.230 nan 0.000 0.422 244 P HA 0.121 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 0.626 62.988 63.100 -1.231 0.000 0.776 244 P CB 0.562 32.009 31.700 -0.421 0.000 0.876 245 G N 0.631 109.184 108.800 -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 0.183 174.582 174.900 -0.836 0.000 0.997 245 G CA 0.198 45.021 45.100 -0.462 0.000 0.708 245 G HN 0.868 nan 8.290 nan 0.000 0.520 246 C N -3.091 115.837 119.300 -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 -0.142 58.515 59.018 -0.602 0.000 1.287 246 C CB 1.676 28.995 27.740 -0.702 0.000 1.682 246 C HN 2.085 nan 8.230 nan 0.000 0.451 247 G N -1.050 107.538 108.800 -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 -0.034 0.000 1.274 247 G CA 0.306 45.337 45.100 -0.116 0.000 0.853 247 G HN 2.029 nan 8.290 nan 0.000 0.493 248 V N 0.185 120.198 119.914 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 -0.451 61.999 62.300 0.252 0.000 0.980 248 V CB 2.142 34.061 31.823 0.160 0.000 1.033 248 V HN 1.124 nan 8.190 nan 0.000 0.429 249 D N 3.546 124.018 120.400 0.119 0.000 2.646 249 D HA 0.397 5.037 4.640 -0.001 0.000 0.245 249 D C -0.756 175.425 176.300 -0.197 0.000 1.099 249 D CA -0.352 53.636 54.000 -0.021 0.000 0.849 249 D CB 1.847 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 1.193 121.219 119.950 0.127 0.000 2.688 250 F HA 0.142 4.669 4.527 -0.001 0.000 0.310 250 F C 2.197 178.093 175.800 0.160 0.000 1.098 250 F CA -0.313 57.810 58.000 0.206 0.000 1.228 250 F CB 0.600 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 -0.898 113.761 114.554 0.174 0.000 2.814 251 T HA -0.264 4.086 4.350 -0.001 0.000 0.264 251 T C 0.703 175.207 174.700 -0.327 0.000 1.050 251 T CA 1.727 63.765 62.100 -0.103 0.000 1.147 251 T CB -0.408 68.279 68.868 -0.301 0.000 0.833 251 T HN 0.300 nan 8.240 nan 0.000 0.498 252 H N -0.205 118.923 119.070 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 -0.290 55.778 56.048 0.032 0.000 1.137 252 H CB 0.466 30.243 29.762 0.025 0.000 1.867 252 H HN 0.189 nan 8.280 nan 0.000 0.547 253 S N 0.313 116.176 115.700 0.273 0.000 2.548 253 S HA 0.284 4.754 4.470 -0.001 0.000 0.278 253 S C 0.344 175.098 174.600 0.257 0.000 1.150 253 S CA -0.718 57.685 58.200 0.339 0.000 0.907 253 S CB 1.316 64.800 63.200 0.474 0.000 1.108 253 S HN 0.453 nan 8.310 nan 0.000 0.459 254 R N 2.861 123.476 120.500 0.193 0.000 2.297 254 R HA 0.273 4.612 4.340 -0.001 0.000 0.197 254 R C 1.541 177.857 176.300 0.026 0.000 0.943 254 R CA 0.264 56.411 56.100 0.080 0.000 1.038 254 R CB -0.232 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 0.552 121.833 121.223 0.097 0.000 2.189 255 L HA -0.261 4.078 4.340 -0.001 0.000 0.214 255 L C 2.583 179.292 176.870 -0.269 0.000 1.097 255 L CA 1.375 56.207 54.840 -0.014 0.000 0.764 255 L CB -0.543 41.583 42.059 0.112 0.000 0.900 255 L HN 0.274 nan 8.230 nan 0.000 0.436 256 S N 0.667 116.121 115.700 -0.410 0.000 2.372 256 S HA -0.268 4.201 4.470 -0.001 0.000 0.227 256 S C 1.846 176.197 174.600 -0.415 0.000 1.044 256 S CA 2.006 59.764 58.200 -0.736 0.000 1.050 256 S CB -0.327 62.645 63.200 -0.379 0.000 0.901 256 S HN 0.502 nan 8.310 nan 0.000 0.447 257 N N 1.567 120.116 118.700 -0.251 0.000 2.149 257 N HA -0.084 4.656 4.740 -0.001 0.000 0.188 257 N C 1.735 177.132 175.510 -0.188 0.000 1.019 257 N CA 1.339 54.274 53.050 -0.191 0.000 0.857 257 N CB -0.850 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 1.741 122.850 121.223 -0.190 0.000 2.012 258 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 258 L C 2.023 178.750 176.870 -0.239 0.000 1.073 258 L CA 1.362 56.094 54.840 -0.179 0.000 0.748 258 L CB -1.034 40.929 42.059 -0.160 0.000 0.891 258 L HN 0.111 nan 8.230 nan 0.000 0.431 259 L N -0.279 120.755 121.223 -0.315 0.000 2.046 259 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 259 L C 1.624 178.305 176.870 -0.314 0.000 1.077 259 L CA 1.015 55.652 54.840 -0.339 0.000 0.747 259 L CB -0.900 40.919 42.059 -0.399 0.000 0.896 259 L HN 0.600 nan 8.230 nan 0.000 0.432 260 G N 0.474 109.126 108.800 -0.247 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 -0.085 174.765 174.900 -0.083 0.000 1.031 260 G CA -0.446 44.590 45.100 -0.106 0.000 0.730 260 G HN 0.134 nan 8.290 nan 0.000 0.501 261 I N 0.626 121.016 120.570 -0.301 0.000 2.428 261 I HA 0.484 4.653 4.170 -0.001 0.000 0.279 261 I C 0.600 176.555 176.117 -0.270 0.000 1.040 261 I CA -0.744 60.253 61.300 -0.505 0.000 1.171 261 I CB 0.872 38.363 38.000 -0.848 0.000 1.312 261 I HN 0.109 nan 8.210 nan 0.000 0.470 262 R N 3.331 123.689 120.500 -0.237 0.000 2.540 262 R HA 0.404 4.744 4.340 -0.001 0.000 0.287 262 R C 0.051 176.178 176.300 -0.290 0.000 0.980 262 R CA -0.784 55.154 56.100 -0.270 0.000 0.966 262 R CB 2.100 32.265 30.300 -0.227 0.000 1.106 262 R HN 0.401 nan 8.270 nan 0.000 0.480 263 K N 1.557 121.662 120.400 -0.491 0.000 2.368 263 K HA -0.017 4.303 4.320 -0.001 0.000 0.282 263 K C 0.860 177.335 176.600 -0.210 0.000 1.035 263 K CA 0.016 56.066 56.287 -0.394 0.000 0.973 263 K CB 0.771 32.922 32.500 -0.581 0.000 0.957 263 K HN 0.341 nan 8.250 nan 0.000 0.474 264 R N 2.354 122.797 120.500 -0.095 0.000 2.293 264 R HA -0.141 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 1.602 57.684 56.100 -0.030 0.000 1.004 264 R CB 0.105 30.429 30.300 0.039 0.000 0.865 264 R HN 0.713 nan 8.270 nan 0.000 0.469 265 Q N -2.204 117.578 119.800 -0.029 0.000 3.449 265 Q HA 0.236 4.575 4.340 -0.001 0.000 0.272 265 Q C -2.261 173.690 176.000 -0.082 0.000 0.787 265 Q CA -1.527 54.267 55.803 -0.015 0.000 0.904 265 Q CB 1.288 30.066 28.738 0.066 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 0.528 177.613 177.300 -0.358 0.000 1.150 266 P CA 1.561 64.413 63.100 -0.413 0.000 0.933 266 P CB -0.223 31.102 31.700 -0.625 0.000 0.785 267 F N -0.008 119.912 119.950 -0.050 0.000 2.729 267 F HA -0.047 4.480 4.527 -0.001 0.000 0.299 267 F C 1.384 177.167 175.800 -0.028 0.000 1.292 267 F CA 0.368 58.346 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 1.431 121.265 119.800 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 1.197 29.969 28.738 0.058 0.000 1.207 268 Q HN 0.431 nan 8.270 nan 0.000 0.490 269 E N 1.540 121.751 120.200 0.017 0.000 2.529 269 E HA 0.191 4.541 4.350 -0.001 0.000 0.259 269 E C -0.102 176.492 176.600 -0.010 0.000 0.966 269 E CA 0.558 56.949 56.400 -0.015 0.000 0.937 269 E CB 0.292 29.986 29.700 -0.011 0.000 0.923 269 E HN 0.776 nan 8.360 nan 0.000 0.468 270 G N 3.964 112.748 108.800 -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 -0.481 44.637 45.100 0.030 0.000 0.877 270 G HN 0.501 nan 8.290 nan 0.000 0.585 271 F N 3.734 123.697 119.950 0.021 0.000 2.809 271 F HA 0.525 5.051 4.527 -0.000 0.000 0.369 271 F C 0.452 176.364 175.800 0.186 0.000 1.225 271 F CA -1.020 57.062 58.000 0.137 0.000 1.201 271 F CB 0.724 39.809 39.000 0.142 0.000 1.527 271 F HN 0.410 nan 8.300 nan 0.000 0.565 272 R N 4.772 125.409 120.500 0.228 0.000 2.445 272 R HA 0.594 4.934 4.340 -0.001 0.000 0.308 272 R C -1.171 175.235 176.300 0.177 0.000 0.961 272 R CA -0.843 55.330 56.100 0.120 0.000 0.862 272 R CB 2.904 33.254 30.300 0.084 0.000 1.144 272 R HN 0.592 nan 8.270 nan 0.000 0.447 273 I N 3.010 123.675 120.570 0.159 0.000 2.476 273 I HA 0.256 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 1.507 39.579 38.000 0.121 0.000 1.219 273 I HN 0.731 nan 8.210 nan 0.000 0.450 274 T N 2.989 117.666 114.554 0.205 0.000 2.870 274 T HA 0.283 4.633 4.350 -0.001 0.000 0.277 274 T C 0.877 175.689 174.700 0.186 0.000 1.000 274 T CA -0.255 61.947 62.100 0.170 0.000 0.982 274 T CB 1.048 70.009 68.868 0.155 0.000 1.249 274 T HN 0.497 nan 8.240 nan 0.000 0.589 275 Y N 1.290 121.590 120.300 -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 2.380 60.477 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 -0.072 120.361 120.400 0.055 0.000 2.239 276 D HA -0.218 4.422 4.640 -0.001 0.000 0.202 276 D C 1.486 177.760 176.300 -0.045 0.000 0.993 276 D CA 1.642 55.615 54.000 -0.045 0.000 0.874 276 D CB -0.214 40.599 40.800 0.022 0.000 0.922 276 D HN 0.526 nan 8.370 nan 0.000 0.464 277 D N 0.787 121.203 120.400 0.027 0.000 2.091 277 D HA -0.022 4.618 4.640 -0.001 0.000 0.199 277 D C 1.276 177.648 176.300 0.121 0.000 0.980 277 D CA 0.203 54.255 54.000 0.086 0.000 0.831 277 D CB -0.173 40.743 40.800 0.194 0.000 0.987 277 D HN 0.228 nan 8.370 nan 0.000 0.460 278 L N 2.064 123.351 121.223 0.106 0.000 2.505 278 L HA 0.059 4.399 4.340 -0.001 0.000 0.275 278 L C 0.646 177.469 176.870 -0.080 0.000 1.264 278 L CA 0.176 55.058 54.840 0.069 0.000 1.148 278 L CB -0.415 41.694 42.059 0.084 0.000 1.377 278 L HN -0.034 nan 8.230 nan 0.000 0.442 279 E N 2.033 122.204 120.200 -0.050 0.000 2.214 279 E HA 0.482 4.832 4.350 -0.001 0.000 0.274 279 E C 0.158 176.704 176.600 -0.090 0.000 0.977 279 E CA -0.429 55.911 56.400 -0.100 0.000 0.827 279 E CB 1.602 31.263 29.700 -0.066 0.000 1.130 279 E HN 0.532 nan 8.360 nan 0.000 0.394 280 G N 1.744 110.479 108.800 -0.108 0.000 2.920 280 G HA2 0.050 4.010 3.960 -0.001 0.000 0.210 280 G HA3 0.050 4.010 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 0.204 45.238 45.100 -0.111 0.000 0.853 280 G HN 1.142 nan 8.290 nan 0.000 0.333 281 G N 0.672 109.344 108.800 -0.214 0.000 2.511 281 G HA2 0.123 4.082 3.960 -0.001 0.000 0.205 281 G HA3 0.123 4.082 3.960 -0.001 0.000 0.205 281 G C -0.314 174.462 174.900 -0.208 0.000 1.098 281 G CA 0.002 44.975 45.100 -0.211 0.000 0.812 281 G HN 1.105 nan 8.290 nan 0.000 0.497 282 N N 0.220 118.732 118.700 -0.314 0.000 2.479 282 N HA 0.566 5.306 4.740 -0.001 0.000 0.285 282 N C 0.779 176.134 175.510 -0.257 0.000 1.075 282 N CA -0.552 52.374 53.050 -0.207 0.000 0.967 282 N CB 1.234 39.632 38.487 -0.150 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 4.158 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 -0.994 60.249 61.300 -0.095 0.000 1.404 283 I CB 0.129 37.964 38.000 -0.275 0.000 1.389 283 I HN 0.267 nan 8.210 nan 0.000 0.549 284 P HA 0.065 nan 4.420 nan 0.000 0.270 284 P C -0.618 177.002 177.300 0.533 0.000 1.223 284 P CA -0.211 63.210 63.100 0.535 0.000 0.785 284 P CB 0.660 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 0.342 0.000 0.816 285 A CB -0.248 18.903 19.000 0.252 0.000 1.067 285 A HN 0.490 nan 8.150 nan 0.000 0.489 286 L N 1.912 123.179 121.223 0.074 0.000 2.416 286 L HA 0.217 4.556 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 0.591 42.552 42.059 -0.164 0.000 1.119 286 L HN 0.752 nan 8.230 nan 0.000 0.464 287 L N 2.683 123.858 121.223 -0.079 0.000 2.439 287 L HA 0.151 4.490 4.340 -0.001 0.000 0.269 287 L C 0.384 177.213 176.870 -0.067 0.000 1.179 287 L CA -0.311 54.479 54.840 -0.083 0.000 0.828 287 L CB 0.765 42.740 42.059 -0.139 0.000 1.106 287 L HN 0.562 nan 8.230 nan 0.000 0.467 288 D N 3.325 123.698 120.400 -0.044 0.000 2.342 288 D HA 0.033 4.672 4.640 -0.001 0.000 0.260 288 D C 1.085 177.387 176.300 0.002 0.000 1.278 288 D CA -0.041 53.945 54.000 -0.024 0.000 0.910 288 D CB 1.366 42.161 40.800 -0.009 0.000 1.079 288 D HN 0.491 nan 8.370 nan 0.000 0.496 289 V N 4.329 124.238 119.914 -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 1.399 63.709 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 0.643 121.066 120.400 0.038 0.000 2.078 290 D HA -0.151 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 1.810 55.831 54.000 0.034 0.000 0.827 290 D CB -0.412 40.392 40.800 0.008 0.000 0.975 290 D HN 0.396 nan 8.370 nan 0.000 0.451 291 A N 0.663 123.506 122.820 0.038 0.000 1.915 291 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 291 A C 2.227 179.845 177.584 0.057 0.000 1.198 291 A CA 1.955 54.011 52.037 0.033 0.000 0.647 291 A CB -1.294 17.725 19.000 0.031 0.000 0.825 291 A HN 0.386 nan 8.150 nan 0.000 0.456 292 Y N -0.143 120.138 120.300 -0.032 0.000 2.133 292 Y HA -0.221 4.329 4.550 -0.001 0.000 0.287 292 Y C 2.748 178.632 175.900 -0.026 0.000 1.134 292 Y CA 2.299 60.381 58.100 -0.030 0.000 1.133 292 Y CB -0.285 38.155 38.460 -0.033 0.000 0.987 292 Y HN 0.302 nan 8.280 nan 0.000 0.502 293 Q N 0.218 120.084 119.800 0.110 0.000 2.030 293 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 293 Q C 2.546 178.509 176.000 -0.061 0.000 0.986 293 Q CA 1.655 57.466 55.803 0.014 0.000 0.843 293 Q CB -1.043 27.734 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 4.203 4.320 -0.001 0.000 0.221 294 A C 1.707 179.247 177.584 -0.072 0.000 1.165 294 A CA 1.280 53.292 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 -2.199 113.432 115.700 -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 0.050 58.166 58.200 -0.139 0.000 0.990 295 S CB 0.416 63.518 63.200 -0.164 0.000 1.029 295 S HN 0.986 nan 8.310 nan 0.000 0.560 296 L N 0.831 121.963 121.223 -0.151 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 55.755 54.840 -0.134 0.000 1.185 296 L CB -1.662 40.292 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 4.538 4.320 -0.001 0.000 0.195 297 K C 0.308 176.883 176.600 -0.042 0.000 1.516 297 K CA 0.266 56.523 56.287 -0.049 0.000 1.213 297 K CB 0.926 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 0.213 120.003 119.800 -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 29.627 28.738 -0.021 0.000 1.239 374 Q HN 0.622 nan 8.270 nan 0.000 0.406 375 K N 0.790 121.179 120.400 -0.018 0.000 2.604 375 K HA -0.072 4.247 4.320 -0.001 0.000 0.277 375 K C -0.288 176.298 176.600 -0.023 0.000 0.966 375 K CA 0.736 57.014 56.287 -0.016 0.000 0.991 375 K CB 0.516 33.009 32.500 -0.012 0.000 0.865 375 K HN -0.165 nan 8.250 nan 0.000 0.511 376 K N 0.968 121.359 120.400 -0.014 0.000 2.185 376 K HA 0.217 4.537 4.320 -0.001 0.000 0.240 376 K C -1.751 174.854 176.600 0.009 0.000 0.983 376 K CA -2.106 54.165 56.287 -0.027 0.000 0.873 376 K CB 1.133 33.618 32.500 -0.025 0.000 1.118 376 K HN 0.504 nan 8.250 nan 0.000 0.441 377 P HA -0.089 nan 4.420 nan 0.000 0.239 377 P C 1.092 178.480 177.300 0.147 0.000 1.184 377 P CA 0.476 63.607 63.100 0.051 0.000 0.760 377 P CB 0.128 31.835 31.700 0.013 0.000 0.884 378 V N 1.830 121.876 119.914 0.220 0.000 2.239 378 V HA -0.316 3.804 4.120 -0.001 0.000 0.246 378 V C 2.640 178.758 176.094 0.041 0.000 1.037 378 V CA 2.338 64.738 62.300 0.166 0.000 1.012 378 V CB -1.241 30.649 31.823 0.111 0.000 0.650 378 V HN 0.037 nan 8.190 nan 0.000 0.467 379 I N -0.874 119.704 120.570 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 -0.606 37.385 38.000 -0.014 0.000 1.044 379 I HN 0.284 nan 8.210 nan 0.000 0.443 380 K N 3.302 123.701 120.400 -0.002 0.000 2.307 380 K HA 0.069 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 -1.287 54.994 56.287 -0.009 0.000 0.996 380 K CB 0.350 32.850 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 -0.412 176.872 177.300 -0.027 0.000 1.319 381 P CA -0.762 62.328 63.100 -0.017 0.000 0.810 381 P CB 0.979 32.679 31.700 0.000 0.000 0.947 382 L N 3.917 125.114 121.223 -0.043 0.000 2.536 382 L HA -0.048 4.292 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 1.705 56.482 54.840 -0.105 0.000 0.850 382 L CB -0.421 41.557 42.059 -0.135 0.000 1.105 382 L HN 0.467 nan 8.230 nan 0.000 0.517 383 T N 1.604 116.024 114.554 -0.224 0.000 2.987 383 T HA 0.272 4.622 4.350 -0.001 0.000 0.248 383 T C -0.082 174.376 174.700 -0.403 0.000 0.997 383 T CA 0.088 62.058 62.100 -0.216 0.000 1.013 383 T CB 0.389 69.189 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 -0.474 0.000 2.458 384 E HA 0.500 4.849 4.350 -0.001 0.000 0.278 384 E C -1.794 174.561 176.600 -0.408 0.000 1.004 384 E CA -0.809 55.313 56.400 -0.463 0.000 0.823 384 E CB 1.899 31.498 29.700 -0.169 0.000 1.396 384 E HN -0.076 nan 8.360 nan 0.000 0.463 385 D N -0.196 120.092 120.400 -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 -0.501 53.467 54.000 -0.053 0.000 0.858 385 D CB 1.976 42.837 40.800 0.101 0.000 1.544 385 D HN 0.380 nan 8.370 nan 0.000 0.471 386 S N 2.442 118.152 115.700 0.017 0.000 4.273 386 S HA -0.191 4.278 4.470 -0.001 0.000 0.512 386 S C 0.461 175.089 174.600 0.047 0.000 1.063 386 S CA 0.923 59.139 58.200 0.026 0.000 0.904 386 S CB -0.143 63.076 63.200 0.032 0.000 0.778 386 S HN 0.610 nan 8.310 nan 0.000 0.467 387 K N 0.419 120.842 120.400 0.038 0.000 3.424 387 K HA -0.150 4.169 4.320 -0.001 0.000 0.297 387 K C -0.487 176.146 176.600 0.056 0.000 1.365 387 K CA 0.647 56.965 56.287 0.051 0.000 0.889 387 K CB -1.384 31.159 32.500 0.071 0.000 1.455 387 K HN 0.819 nan 8.250 nan 0.000 0.483 388 K N 0.870 121.290 120.400 0.033 0.000 4.789 388 K HA -0.268 4.052 4.320 -0.001 0.000 0.290 388 K C -0.689 175.938 176.600 0.045 0.000 0.798 388 K CA 1.161 57.458 56.287 0.017 0.000 0.860 388 K CB -0.901 31.603 32.500 0.008 0.000 1.852 388 K HN 0.319 nan 8.250 nan 0.000 0.413 389 R N 1.239 121.783 120.500 0.073 0.000 2.255 389 R HA 0.237 4.577 4.340 -0.001 0.000 0.326 389 R C -0.094 176.282 176.300 0.128 0.000 0.986 389 R CA -0.689 55.487 56.100 0.128 0.000 0.847 389 R CB 1.405 31.829 30.300 0.207 0.000 1.111 389 R HN 0.156 nan 8.270 nan 0.000 0.452 390 S N 2.284 118.044 115.700 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 0.204 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 0.490 nan 8.310 nan 0.000 0.498 391 Y N 1.779 122.023 120.300 -0.092 0.000 2.532 391 Y HA 0.196 4.745 4.550 -0.001 0.000 0.283 391 Y C 0.718 176.444 175.900 -0.289 0.000 1.181 391 Y CA -1.489 56.507 58.100 -0.174 0.000 1.256 391 Y CB -1.166 37.256 38.460 -0.063 0.000 1.112 391 Y HN 0.654 nan 8.280 nan 0.000 0.521 392 N N 1.226 119.884 118.700 -0.070 0.000 2.664 392 N HA -0.218 4.521 4.740 -0.001 0.000 0.296 392 N C -1.237 174.225 175.510 -0.080 0.000 1.153 392 N CA 0.427 53.408 53.050 -0.115 0.000 0.765 392 N CB -0.636 37.715 38.487 -0.228 0.000 0.962 392 N HN 0.126 nan 8.380 nan 0.000 0.564 393 L N 1.859 123.079 121.223 -0.005 0.000 2.312 393 L HA 0.353 4.693 4.340 -0.001 0.000 0.281 393 L C 2.078 178.970 176.870 0.036 0.000 1.070 393 L CA -0.253 54.607 54.840 0.033 0.000 0.805 393 L CB 0.824 42.913 42.059 0.051 0.000 1.174 393 L HN 0.403 nan 8.230 nan 0.000 0.434 394 I N 0.442 121.051 120.570 0.065 0.000 2.053 394 I HA -0.288 3.882 4.170 -0.001 0.000 0.236 394 I C 0.824 176.967 176.117 0.045 0.000 1.038 394 I CA 1.552 62.893 61.300 0.068 0.000 1.304 394 I CB 0.359 38.419 38.000 0.101 0.000 1.023 394 I HN 0.668 nan 8.210 nan 0.000 0.395 395 S N 0.447 116.169 115.700 0.037 0.000 2.704 395 S HA 0.204 4.674 4.470 -0.001 0.000 0.305 395 S C 0.538 175.145 174.600 0.011 0.000 1.107 395 S CA -0.236 57.976 58.200 0.020 0.000 0.993 395 S CB 1.546 64.753 63.200 0.012 0.000 1.110 395 S HN 0.565 nan 8.310 nan 0.000 0.534 396 N N 0.857 119.559 118.700 0.004 0.000 2.571 396 N HA -0.073 4.666 4.740 -0.001 0.000 0.189 396 N C 0.430 175.935 175.510 -0.008 0.000 1.154 396 N CA 0.702 53.751 53.050 -0.002 0.000 0.907 396 N CB -0.001 38.484 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 -0.274 176.004 176.300 -0.037 0.000 1.386 397 D CA 0.210 54.196 54.000 -0.023 0.000 1.053 397 D CB -0.030 40.757 40.800 -0.021 0.000 1.107 397 D HN 0.027 nan 8.370 nan 0.000 0.395 398 S N 0.201 115.877 115.700 -0.041 0.000 2.593 398 S HA -0.061 4.409 4.470 -0.001 0.000 0.303 398 S C 1.238 175.788 174.600 -0.083 0.000 1.267 398 S CA 0.722 58.872 58.200 -0.084 0.000 1.047 398 S CB 0.745 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 0.016 114.447 114.554 -0.205 0.000 3.148 399 T HA 0.199 4.549 4.350 -0.001 0.000 0.253 399 T C 0.176 174.923 174.700 0.079 0.000 1.134 399 T CA 0.247 62.272 62.100 -0.126 0.000 1.051 399 T CB -0.461 68.281 68.868 -0.211 0.000 0.959 399 T HN 0.469 nan 8.240 nan 0.000 0.525 400 F N 2.766 122.770 119.950 0.089 0.000 2.420 400 F HA 0.430 4.957 4.527 -0.001 0.000 0.342 400 F C 1.274 177.117 175.800 0.071 0.000 1.113 400 F CA -1.492 56.565 58.000 0.095 0.000 1.059 400 F CB 1.390 40.436 39.000 0.077 0.000 1.128 400 F HN 0.006 nan 8.300 nan 0.000 0.475 401 T N -0.259 114.461 114.554 0.276 0.000 2.849 401 T HA 0.122 4.472 4.350 -0.001 0.000 0.284 401 T C 0.694 175.442 174.700 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 70.314 68.868 0.019 0.000 1.013 401 T HN 0.726 nan 8.240 nan 0.000 0.527 402 Q N -0.154 119.644 119.800 -0.003 0.000 2.297 402 Q HA 0.039 4.378 4.340 -0.001 0.000 0.204 402 Q C -0.116 176.008 176.000 0.207 0.000 0.962 402 Q CA 0.587 56.447 55.803 0.094 0.000 0.879 402 Q CB -0.161 28.593 28.738 0.027 0.000 0.947 402 Q HN 0.702 nan 8.270 nan 0.000 0.462 403 Y N 1.485 121.781 120.300 -0.008 0.000 2.632 403 Y HA 0.004 4.554 4.550 -0.001 0.000 0.329 403 Y C 0.415 176.286 175.900 -0.047 0.000 1.174 403 Y CA -0.338 57.711 58.100 -0.084 0.000 1.469 403 Y CB 0.346 38.658 38.460 -0.247 0.000 1.242 403 Y HN -0.007 nan 8.280 nan 0.000 0.540 404 R N 2.258 122.873 120.500 0.193 0.000 2.494 404 R HA 0.338 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 -0.678 55.475 56.100 0.087 0.000 0.864 404 R CB 2.026 32.390 30.300 0.107 0.000 1.159 404 R HN 0.480 nan 8.270 nan 0.000 0.446 405 S N 1.506 117.214 115.700 0.013 0.000 2.475 405 S HA 0.132 4.601 4.470 -0.001 0.000 0.298 405 S C 0.417 175.116 174.600 0.165 0.000 1.119 405 S CA -0.755 57.503 58.200 0.097 0.000 1.085 405 S CB 0.732 64.023 63.200 0.152 0.000 1.028 405 S HN 0.712 nan 8.310 nan 0.000 0.489 406 W N 5.446 126.806 121.300 0.100 0.000 2.353 406 W HA -0.151 4.509 4.660 -0.001 0.000 0.319 406 W C 1.656 178.257 176.519 0.137 0.000 1.207 406 W CA 1.817 59.224 57.345 0.103 0.000 1.291 406 W CB -0.988 28.526 29.460 0.091 0.000 1.159 406 W HN 0.971 nan 8.180 nan 0.000 0.478 407 Y N 0.773 121.059 120.300 -0.024 0.000 2.062 407 Y HA -0.379 4.171 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 2.792 60.733 58.100 -0.265 0.000 1.130 407 Y CB -1.163 37.331 38.460 0.057 0.000 0.959 407 Y HN -0.003 nan 8.280 nan 0.000 0.499 408 L N -0.128 121.118 121.223 0.037 0.000 1.990 408 L HA -0.275 4.064 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 0.053 0.000 0.755 408 L CB -1.587 40.522 42.059 0.084 0.000 0.889 408 L HN 0.365 nan 8.230 nan 0.000 0.432 409 A N -1.447 121.261 122.820 -0.186 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 2.103 54.015 52.037 -0.208 0.000 0.630 409 A CB -1.384 17.531 19.000 -0.143 0.000 0.839 409 A HN 0.480 nan 8.150 nan 0.000 0.447 410 Y N 1.387 121.260 120.300 -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 0.387 nan 8.280 nan 0.000 0.499 411 N N -1.831 116.427 118.700 -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 -0.889 0.000 1.018 411 N CA 1.528 54.025 53.050 -0.922 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 0.000 120.091 120.300 -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 0.443 38.743 38.460 -0.267 0.000 1.200 412 Y HN -0.128 nan 8.280 nan 0.000 0.514 413 G N 0.375 109.111 108.800 -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 -0.908 173.920 174.900 -0.120 0.000 1.126 413 G CA -0.442 44.598 45.100 -0.100 0.000 0.865 413 G HN 0.096 nan 8.290 nan 0.000 0.474 414 D N 2.285 122.634 120.400 -0.085 0.000 7.547 414 D HA -0.129 4.510 4.640 -0.001 0.000 0.125 414 D C -1.213 175.024 176.300 -0.105 0.000 1.148 414 D CA -0.258 53.695 54.000 -0.078 0.000 0.811 414 D CB 0.899 41.671 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 1.063 64.061 63.100 -0.169 0.000 0.814 415 P CB 0.193 31.781 31.700 -0.188 0.000 0.787 416 Q N -2.075 117.689 119.800 -0.060 0.000 2.451 416 Q HA 0.066 4.406 4.340 -0.001 0.000 0.206 416 Q C 1.084 177.086 176.000 0.002 0.000 0.947 416 Q CA 0.978 56.766 55.803 -0.025 0.000 0.937 416 Q CB -0.004 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 -1.216 113.339 114.554 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 0.315 69.185 68.868 0.004 0.000 1.169 417 T HN 0.365 nan 8.240 nan 0.000 0.489 418 G N 1.106 109.925 108.800 0.032 0.000 2.518 418 G HA2 0.236 4.195 3.960 -0.001 0.000 0.284 418 G HA3 0.236 4.195 3.960 -0.001 0.000 0.284 418 G C 0.993 176.017 174.900 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 -0.581 120.137 120.570 0.246 0.000 2.493 419 I HA -0.117 4.053 4.170 -0.001 0.000 0.254 419 I C 2.826 179.041 176.117 0.162 0.000 1.160 419 I CA 0.931 62.479 61.300 0.414 0.000 1.445 419 I CB -0.241 38.018 38.000 0.431 0.000 1.086 419 I HN 0.477 nan 8.210 nan 0.000 0.433 420 R N 1.133 121.612 120.500 -0.035 0.000 2.226 420 R HA -0.220 4.119 4.340 -0.001 0.000 0.246 420 R C 2.285 178.534 176.300 -0.085 0.000 1.161 420 R CA 1.812 57.705 56.100 -0.345 0.000 0.997 420 R CB -0.323 29.580 30.300 -0.663 0.000 0.870 420 R HN 0.364 nan 8.270 nan 0.000 0.465 421 S N -0.236 115.508 115.700 0.072 0.000 2.317 421 S HA -0.097 4.373 4.470 -0.001 0.000 0.212 421 S C 1.534 176.269 174.600 0.224 0.000 1.030 421 S CA 0.873 59.162 58.200 0.149 0.000 0.970 421 S CB -0.489 62.836 63.200 0.209 0.000 0.928 421 S HN 0.674 nan 8.310 nan 0.000 0.451 422 W N 2.038 123.409 121.300 0.117 0.000 3.256 422 W HA 0.389 5.049 4.660 -0.001 0.000 0.269 422 W C 0.486 177.116 176.519 0.185 0.000 1.310 422 W CA 0.157 57.581 57.345 0.132 0.000 1.673 422 W CB -1.750 27.785 29.460 0.126 0.000 1.115 422 W HN 0.275 nan 8.180 nan 0.000 0.686 423 T N 1.441 115.774 114.554 -0.368 0.000 2.888 423 T HA 0.617 4.967 4.350 -0.001 0.000 0.288 423 T C -1.568 173.159 174.700 0.046 0.000 1.063 423 T CA -0.515 61.400 62.100 -0.307 0.000 1.010 423 T CB 1.796 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 3.089 124.304 121.223 -0.012 0.000 2.438 424 L HA 0.714 5.054 4.340 -0.001 0.000 0.270 424 L C -1.557 175.228 176.870 -0.141 0.000 0.972 424 L CA -0.880 53.967 54.840 0.012 0.000 0.831 424 L CB 1.632 43.685 42.059 -0.010 0.000 1.273 424 L HN 0.592 nan 8.230 nan 0.000 0.405 425 L N 6.387 127.415 121.223 -0.325 0.000 2.319 425 L HA 0.745 5.084 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 -0.308 0.000 0.828 425 L CB 0.193 41.866 42.059 -0.643 0.000 1.150 425 L HN 0.920 nan 8.230 nan 0.000 0.442 426 C N 0.281 119.586 119.300 0.008 0.000 3.321 426 C HA 0.569 5.029 4.460 -0.001 0.000 0.329 426 C C 0.339 175.416 174.990 0.146 0.000 1.394 426 C CA -0.982 58.075 59.018 0.064 0.000 1.291 426 C CB 0.769 28.510 27.740 0.003 0.000 1.606 426 C HN 0.813 nan 8.230 nan 0.000 0.463 427 T N 3.410 118.013 114.554 0.082 0.000 2.946 427 T HA 0.167 4.516 4.350 -0.001 0.000 0.312 427 T C -1.361 173.330 174.700 -0.014 0.000 1.066 427 T CA 0.541 62.669 62.100 0.047 0.000 1.138 427 T CB 0.300 69.178 68.868 0.017 0.000 1.014 427 T HN 0.679 nan 8.240 nan 0.000 0.544 428 P HA -0.121 nan 4.420 nan 0.000 0.205 428 P C 0.109 177.354 177.300 -0.091 0.000 1.181 428 P CA 1.092 64.118 63.100 -0.122 0.000 0.933 428 P CB 0.061 31.675 31.700 -0.144 0.000 0.775 429 D N -1.888 118.473 120.400 -0.064 0.000 5.036 429 D HA -0.109 4.531 4.640 -0.001 0.000 0.231 429 D C 0.662 176.932 176.300 -0.051 0.000 1.396 429 D CA 0.509 54.481 54.000 -0.047 0.000 1.180 429 D CB -0.449 40.322 40.800 -0.048 0.000 0.614 429 D HN 0.060 nan 8.370 nan 0.000 0.300 430 V N 2.690 122.585 119.914 -0.031 0.000 2.379 430 V HA -0.182 3.938 4.120 -0.001 0.000 0.245 430 V C 2.725 178.802 176.094 -0.029 0.000 1.044 430 V CA 2.900 65.182 62.300 -0.030 0.000 1.036 430 V CB -1.307 30.511 31.823 -0.008 0.000 0.664 430 V HN 0.835 nan 8.190 nan 0.000 0.453 431 T N -2.673 111.871 114.554 -0.017 0.000 2.882 431 T HA -0.352 3.998 4.350 -0.001 0.000 0.268 431 T C 1.417 176.105 174.700 -0.020 0.000 1.104 431 T CA 1.656 63.747 62.100 -0.016 0.000 1.118 431 T CB -1.420 67.451 68.868 0.005 0.000 0.831 431 T HN 1.169 nan 8.240 nan 0.000 0.529 432 C N -0.353 118.928 119.300 -0.030 0.000 4.933 432 C HA 0.100 4.559 4.460 -0.001 0.000 0.249 432 C C 1.146 176.117 174.990 -0.031 0.000 1.406 432 C CA 0.522 59.520 59.018 -0.034 0.000 1.505 432 C CB -2.109 25.625 27.740 -0.010 0.000 1.870 432 C HN 1.833 nan 8.230 nan 0.000 0.651 433 G N 0.008 108.794 108.800 -0.024 0.000 2.693 433 G HA2 0.364 4.324 3.960 -0.001 0.000 0.290 433 G HA3 0.364 4.324 3.960 -0.001 0.000 0.290 433 G C -0.507 174.390 174.900 -0.004 0.000 1.378 433 G CA 0.016 45.102 45.100 -0.023 0.000 1.120 433 G HN 0.858 nan 8.290 nan 0.000 0.609 434 S N 2.484 118.183 115.700 -0.002 0.000 2.571 434 S HA 0.303 4.772 4.470 -0.001 0.000 0.297 434 S C 0.375 174.986 174.600 0.018 0.000 1.234 434 S CA 0.057 58.266 58.200 0.016 0.000 1.120 434 S CB 0.833 64.041 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 0.119 176.725 176.600 0.009 0.000 0.940 435 E CA -0.824 55.584 56.400 0.013 0.000 0.819 435 E CB 1.173 30.881 29.700 0.013 0.000 1.206 435 E HN 0.664 nan 8.360 nan 0.000 0.409 436 Q N 0.129 119.913 119.800 -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 -0.968 54.812 55.803 -0.038 0.000 0.913 436 Q CB 1.320 30.077 28.738 0.032 0.000 1.286 436 Q HN 0.262 nan 8.270 nan 0.000 0.480 437 V N -2.228 117.598 119.914 -0.146 0.000 3.001 437 V HA 0.667 4.786 4.120 -0.001 0.000 0.314 437 V C -1.189 174.855 176.094 -0.083 0.000 1.099 437 V CA -1.080 61.081 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 0.081 120.388 120.300 0.012 0.000 2.350 438 Y HA 0.564 5.114 4.550 -0.000 0.000 0.338 438 Y C -0.608 175.305 175.900 0.021 0.000 0.961 438 Y CA -0.712 57.436 58.100 0.079 0.000 1.100 438 Y CB 1.797 40.334 38.460 0.129 0.000 1.179 438 Y HN 0.701 nan 8.280 nan 0.000 0.454 439 W N 1.842 123.239 121.300 0.161 0.000 2.283 439 W HA 0.565 5.225 4.660 -0.000 0.000 0.341 439 W C -0.477 176.069 176.519 0.045 0.000 1.206 439 W CA -0.096 57.278 57.345 0.048 0.000 1.294 439 W CB 1.399 30.785 29.460 -0.124 0.000 1.154 439 W HN 0.341 nan 8.180 nan 0.000 0.613 440 S N 1.526 117.409 115.700 0.306 0.000 2.562 440 S HA 0.512 4.981 4.470 -0.001 0.000 0.274 440 S C -1.048 173.586 174.600 0.056 0.000 1.160 440 S CA -0.936 57.361 58.200 0.163 0.000 0.933 440 S CB 0.640 63.986 63.200 0.243 0.000 1.100 440 S HN 0.437 nan 8.310 nan 0.000 0.468 441 L N 2.125 123.323 121.223 -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 -1.927 52.851 54.840 -0.104 0.000 0.815 441 L CB 0.796 42.810 42.059 -0.076 0.000 1.188 441 L HN 0.389 nan 8.230 nan 0.000 0.551 442 P HA -0.253 nan 4.420 nan 0.000 0.222 442 P C 0.768 177.933 177.300 -0.226 0.000 1.155 442 P CA 1.614 64.513 63.100 -0.334 0.000 0.890 442 P CB 0.206 31.445 31.700 -0.769 0.000 0.790 443 D N -2.450 117.820 120.400 -0.217 0.000 2.349 443 D HA 0.039 4.679 4.640 -0.001 0.000 0.224 443 D C 1.492 177.728 176.300 -0.107 0.000 1.029 443 D CA 0.659 54.572 54.000 -0.144 0.000 0.879 443 D CB 0.082 40.802 40.800 -0.135 0.000 0.906 443 D HN 0.291 nan 8.370 nan 0.000 0.528 444 M N -0.655 118.880 119.600 -0.109 0.000 2.231 444 M HA 0.172 4.651 4.480 -0.001 0.000 0.347 444 M C -0.910 175.343 176.300 -0.078 0.000 0.901 444 M CA 0.244 55.490 55.300 -0.090 0.000 1.064 444 M CB 1.012 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 -0.512 54.750 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 1.930 121.708 119.800 -0.036 0.000 2.315 446 Q HA -0.009 4.330 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 0.629 56.415 55.803 -0.028 0.000 0.920 446 Q CB 0.568 29.302 28.738 -0.007 0.000 1.214 446 Q HN 0.363 nan 8.270 nan 0.000 0.392 447 D N 6.630 127.010 120.400 -0.034 0.000 2.348 447 D HA 0.096 4.736 4.640 -0.001 0.000 0.259 447 D C -2.192 174.067 176.300 -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 0.303 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 -0.118 62.848 63.100 -0.223 0.000 0.758 448 P CB 0.696 32.114 31.700 -0.470 0.000 0.773 449 V N 2.477 122.375 119.914 -0.027 0.000 2.445 449 V HA -0.434 3.686 4.120 -0.001 0.000 0.191 449 V C 2.188 178.351 176.094 0.114 0.000 0.905 449 V CA 3.099 65.423 62.300 0.040 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 -2.697 111.973 114.554 0.193 0.000 3.148 450 T HA 0.155 4.505 4.350 -0.001 0.000 0.253 450 T C 0.212 175.052 174.700 0.233 0.000 1.134 450 T CA 0.013 62.220 62.100 0.177 0.000 1.051 450 T CB -0.479 68.459 68.868 0.118 0.000 0.959 450 T HN 0.165 nan 8.240 nan 0.000 0.525 451 F N 2.658 122.607 119.950 -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 -1.412 56.592 58.000 0.007 0.000 1.271 451 F CB 0.357 39.362 39.000 0.009 0.000 1.120 451 F HN 0.050 nan 8.300 nan 0.000 0.579 452 R N 1.242 121.820 120.500 0.130 0.000 2.459 452 R HA 0.380 4.719 4.340 -0.001 0.000 0.281 452 R C -0.230 176.146 176.300 0.128 0.000 1.050 452 R CA -0.396 55.758 56.100 0.091 0.000 1.055 452 R CB 1.021 31.340 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 1.047 64.292 63.200 0.075 0.000 0.958 453 S HN 0.670 nan 8.310 nan 0.000 0.491 454 T N 1.523 116.177 114.554 0.165 0.000 2.645 454 T HA 0.523 4.873 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 0.085 62.284 62.100 0.164 0.000 1.034 454 T CB 0.800 69.742 68.868 0.123 0.000 1.537 454 T HN 0.672 nan 8.240 nan 0.000 0.492 455 S N -0.270 115.559 115.700 0.215 0.000 2.733 455 S HA 0.251 4.721 4.470 -0.001 0.000 0.247 455 S C 0.414 175.086 174.600 0.120 0.000 1.043 455 S CA -0.314 58.057 58.200 0.284 0.000 1.066 455 S CB -0.060 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 2.106 121.888 119.800 -0.031 0.000 2.402 456 Q HA 0.354 4.694 4.340 -0.001 0.000 0.238 456 Q C 0.774 176.438 176.000 -0.559 0.000 1.126 456 Q CA -0.250 55.443 55.803 -0.184 0.000 0.904 456 Q CB -0.027 28.648 28.738 -0.105 0.000 1.357 456 Q HN 0.462 nan 8.270 nan 0.000 0.491 457 I N 2.074 122.220 120.570 -0.707 0.000 2.227 457 I HA -0.402 3.768 4.170 -0.001 0.000 0.250 457 I C 1.622 177.292 176.117 -0.745 0.000 1.087 457 I CA 1.847 62.481 61.300 -1.111 0.000 1.352 457 I CB -0.321 37.438 38.000 -0.401 0.000 1.043 457 I HN 0.635 nan 8.210 nan 0.000 0.425 458 S N -0.749 114.729 115.700 -0.369 0.000 2.840 458 S HA 0.023 4.493 4.470 -0.001 0.000 0.235 458 S C 0.753 175.271 174.600 -0.135 0.000 0.968 458 S CA -0.005 58.086 58.200 -0.181 0.000 1.026 458 S CB -0.521 62.621 63.200 -0.097 0.000 0.788 458 S HN 0.622 nan 8.310 nan 0.000 0.487 459 N N -0.591 117.991 118.700 -0.197 0.000 2.036 459 N HA 0.173 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 -0.247 52.771 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 4.712 4.527 -0.000 0.000 0.329 460 F C -1.624 174.306 175.800 0.215 0.000 1.224 460 F CA -1.019 57.052 58.000 0.120 0.000 1.373 460 F CB -0.465 38.596 39.000 0.101 0.000 1.129 460 F HN -0.011 nan 8.300 nan 0.000 0.610 461 P HA 0.232 nan 4.420 nan 0.000 0.274 461 P C -1.119 176.319 177.300 0.230 0.000 1.231 461 P CA -0.188 63.201 63.100 0.481 0.000 0.790 461 P CB 0.883 32.698 31.700 0.190 0.000 0.951 462 V N 2.613 122.505 119.914 -0.036 0.000 2.459 462 V HA 0.180 4.299 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 -0.206 62.054 62.300 -0.067 0.000 0.874 462 V CB 1.631 33.444 31.823 -0.017 0.000 0.985 462 V HN 0.475 nan 8.190 nan 0.000 0.438 463 V N 1.014 120.867 119.914 -0.102 0.000 3.635 463 V HA 0.701 4.820 4.120 -0.001 0.000 0.266 463 V C 0.645 176.678 176.094 -0.101 0.000 1.316 463 V CA 0.771 62.989 62.300 -0.136 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 -0.417 108.366 108.800 -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 -1.183 173.897 174.900 0.299 0.000 1.434 464 G CA -0.071 45.039 45.100 0.018 0.000 0.980 464 G HN 0.774 nan 8.290 nan 0.000 0.531 465 A N 0.896 123.945 122.820 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 2.019 21.275 19.000 0.425 0.000 1.273 465 A HN 1.119 nan 8.150 nan 0.000 0.452 466 E N 1.274 121.717 120.200 0.405 0.000 2.388 466 E HA 0.377 4.726 4.350 -0.001 0.000 0.282 466 E C -1.990 174.741 176.600 0.218 0.000 1.026 466 E CA -0.791 55.809 56.400 0.333 0.000 0.820 466 E CB 0.979 30.969 29.700 0.484 0.000 1.226 466 E HN 0.499 nan 8.360 nan 0.000 0.432 467 L N 3.071 124.399 121.223 0.175 0.000 2.455 467 L HA 0.147 4.487 4.340 -0.001 0.000 0.272 467 L C -0.190 176.755 176.870 0.125 0.000 1.174 467 L CA -0.117 54.801 54.840 0.130 0.000 0.869 467 L CB 0.672 42.805 42.059 0.123 0.000 1.130 467 L HN 0.577 nan 8.230 nan 0.000 0.474 468 L N 8.859 130.132 121.223 0.083 0.000 2.597 468 L HA 0.215 4.555 4.340 -0.001 0.000 0.271 468 L C -1.768 175.153 176.870 0.084 0.000 1.157 468 L CA -1.452 53.428 54.840 0.067 0.000 0.928 468 L CB -0.345 41.737 42.059 0.039 0.000 1.216 468 L HN 0.497 nan 8.230 nan 0.000 0.481 469 P HA -0.113 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 63.767 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 0.562 120.524 119.914 0.080 0.000 2.668 470 V HA 0.347 4.467 4.120 -0.001 0.000 0.304 470 V C -0.022 176.260 176.094 0.312 0.000 1.071 470 V CA -0.725 61.620 62.300 0.075 0.000 0.894 470 V CB 1.883 33.729 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 -0.365 174.971 175.328 0.013 0.000 1.207 471 H CA -0.957 55.099 56.048 0.013 0.000 1.217 471 H CB 2.306 32.078 29.762 0.017 0.000 1.874 471 H HN 0.654 nan 8.280 nan 0.000 0.581 472 S N 1.581 117.366 115.700 0.142 0.000 2.566 472 S HA 0.289 4.758 4.470 -0.001 0.000 0.324 472 S C -0.438 174.202 174.600 0.066 0.000 1.081 472 S CA -1.077 57.174 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 2.111 122.565 120.400 0.090 0.000 2.185 473 K HA 0.474 4.793 4.320 -0.001 0.000 0.271 473 K C -0.335 176.242 176.600 -0.038 0.000 1.013 473 K CA -0.193 56.084 56.287 -0.017 0.000 0.943 473 K CB 1.525 34.042 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 -0.966 173.365 174.600 -0.448 0.000 1.087 474 S CA -0.671 57.434 58.200 -0.157 0.000 1.042 474 S CB 0.642 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 0.980 120.953 119.950 0.039 0.000 2.588 475 F HA 0.422 4.948 4.527 -0.001 0.000 0.314 475 F C -0.569 175.294 175.800 0.104 0.000 1.069 475 F CA -1.195 56.841 58.000 0.060 0.000 0.931 475 F CB 0.854 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 2.122 122.522 120.300 0.167 0.000 2.359 476 Y HA 0.345 4.894 4.550 -0.001 0.000 0.334 476 Y C -0.245 175.703 175.900 0.079 0.000 1.058 476 Y CA -0.999 57.152 58.100 0.086 0.000 1.244 476 Y CB 0.408 38.898 38.460 0.050 0.000 1.187 476 Y HN 0.534 nan 8.280 nan 0.000 0.510 477 N N 5.360 123.757 118.700 -0.505 0.000 2.437 477 N HA 0.110 4.850 4.740 -0.001 0.000 0.243 477 N C 0.225 175.322 175.510 -0.688 0.000 1.041 477 N CA -0.016 52.754 53.050 -0.467 0.000 0.940 477 N CB 0.531 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 1.297 121.415 120.400 -0.469 0.000 2.183 478 D HA -0.134 4.505 4.640 -0.001 0.000 0.205 478 D C 1.058 177.292 176.300 -0.109 0.000 0.962 478 D CA 0.635 54.457 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 0.790 120.542 119.800 -0.079 0.000 2.576 479 Q HA -0.102 4.237 4.340 -0.001 0.000 0.218 479 Q C 1.565 177.649 176.000 0.140 0.000 0.983 479 Q CA 0.455 56.321 55.803 0.106 0.000 0.920 479 Q CB 0.089 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 -0.027 122.793 122.820 -0.001 0.000 1.845 480 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 480 A C 1.976 179.564 177.584 0.005 0.000 1.195 480 A CA 1.712 53.736 52.037 -0.022 0.000 0.616 480 A CB -0.842 18.116 19.000 -0.070 0.000 0.832 480 A HN 0.383 nan 8.150 nan 0.000 0.443 481 V N -1.138 118.789 119.914 0.021 0.000 2.685 481 V HA -0.067 4.053 4.120 -0.001 0.000 0.244 481 V C 2.258 178.344 176.094 -0.013 0.000 1.054 481 V CA 1.581 63.886 62.300 0.008 0.000 1.076 481 V CB -0.727 31.111 31.823 0.025 0.000 0.725 481 V HN 0.712 nan 8.190 nan 0.000 0.467 482 Y N 2.443 122.734 120.300 -0.015 0.000 2.172 482 Y HA -0.347 4.203 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 2.578 60.674 58.100 -0.006 0.000 1.171 482 Y CB -1.036 37.411 38.460 -0.021 0.000 0.965 482 Y HN 0.449 nan 8.280 nan 0.000 0.520 483 S N -0.649 114.500 115.700 -0.918 0.000 2.489 483 S HA -0.164 4.305 4.470 -0.001 0.000 0.228 483 S C 1.848 176.231 174.600 -0.361 0.000 0.995 483 S CA 0.745 58.433 58.200 -0.854 0.000 0.934 483 S CB -0.459 62.478 63.200 -0.439 0.000 0.771 483 S HN 0.781 nan 8.310 nan 0.000 0.522 484 Q N 0.590 120.264 119.800 -0.209 0.000 2.472 484 Q HA 0.222 4.561 4.340 -0.001 0.000 0.208 484 Q C 0.556 176.531 176.000 -0.040 0.000 0.958 484 Q CA 0.499 56.248 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 0.735 121.924 121.223 -0.058 0.000 3.141 485 L HA 0.341 4.681 4.340 -0.001 0.000 0.263 485 L C 0.538 177.473 176.870 0.108 0.000 1.312 485 L CA -0.020 54.876 54.840 0.093 0.000 1.012 485 L CB 0.503 42.609 42.059 0.079 0.000 1.408 485 L HN 0.225 nan 8.230 nan 0.000 0.559 486 I N -0.768 119.834 120.570 0.054 0.000 5.285 486 I HA -0.040 4.130 4.170 -0.001 0.000 0.351 486 I C 1.868 178.024 176.117 0.065 0.000 1.206 486 I CA 0.236 61.568 61.300 0.053 0.000 1.527 486 I CB 0.619 38.551 38.000 -0.113 0.000 1.694 486 I HN 0.321 nan 8.210 nan 0.000 0.585 487 R N 1.134 121.634 120.500 0.000 0.000 2.362 487 R HA 0.144 4.483 4.340 -0.001 0.000 0.227 487 R C 1.545 177.833 176.300 -0.020 0.000 0.905 487 R CA 0.281 56.372 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 0.296 nan 8.270 nan 0.000 0.516 488 Q N 0.387 120.174 119.800 -0.022 0.000 2.402 488 Q HA 0.117 4.457 4.340 -0.001 0.000 0.206 488 Q C -0.630 175.151 176.000 -0.365 0.000 0.919 488 Q CA 0.377 56.080 55.803 -0.167 0.000 0.923 488 Q CB 0.403 29.038 28.738 -0.172 0.000 1.048 488 Q HN 0.311 nan 8.270 nan 0.000 0.515 489 F N 1.403 121.336 119.950 -0.028 0.000 2.366 489 F HA 0.285 4.811 4.527 -0.001 0.000 0.357 489 F C -0.178 175.611 175.800 -0.019 0.000 1.107 489 F CA -0.709 57.280 58.000 -0.018 0.000 1.208 489 F CB 0.970 39.960 39.000 -0.016 0.000 1.464 489 F HN -0.231 nan 8.300 nan 0.000 0.501 490 T N 1.927 116.515 114.554 0.057 0.000 2.828 490 T HA 0.215 4.564 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 0.746 62.868 62.100 0.037 0.000 1.136 490 T CB 0.077 68.952 68.868 0.013 0.000 1.057 490 T HN 0.705 nan 8.240 nan 0.000 0.499 491 S N 1.602 117.320 115.700 0.030 0.000 2.643 491 S HA 0.482 4.951 4.470 -0.001 0.000 0.266 491 S C -0.415 174.191 174.600 0.010 0.000 1.130 491 S CA -1.401 56.815 58.200 0.027 0.000 0.817 491 S CB 0.441 63.663 63.200 0.037 0.000 1.107 491 S HN 0.576 nan 8.310 nan 0.000 0.471 492 L N 0.858 122.090 121.223 0.015 0.000 2.476 492 L HA 0.126 4.466 4.340 -0.001 0.000 0.309 492 L C 0.604 177.471 176.870 -0.005 0.000 1.330 492 L CA 0.448 55.296 54.840 0.014 0.000 0.827 492 L CB -0.335 41.746 42.059 0.037 0.000 1.044 492 L HN 0.873 nan 8.230 nan 0.000 0.599 493 T N -1.904 112.655 114.554 0.008 0.000 2.906 493 T HA 0.407 4.757 4.350 -0.001 0.000 0.295 493 T C -0.691 174.068 174.700 0.100 0.000 1.075 493 T CA -0.752 61.342 62.100 -0.010 0.000 1.005 493 T CB 1.410 70.259 68.868 -0.032 0.000 1.136 493 T HN 0.434 nan 8.240 nan 0.000 0.498 494 H N -0.111 118.941 119.070 -0.031 0.000 2.508 494 H HA 0.307 4.863 4.556 -0.001 0.000 0.344 494 H C 1.494 176.708 175.328 -0.189 0.000 1.192 494 H CA -0.985 55.000 56.048 -0.105 0.000 1.290 494 H CB 1.293 31.044 29.762 -0.018 0.000 1.571 494 H HN 0.416 nan 8.280 nan 0.000 0.555 495 V N -0.746 119.006 119.914 -0.270 0.000 3.330 495 V HA -0.157 3.963 4.120 -0.001 0.000 0.273 495 V C 0.963 176.920 176.094 -0.228 0.000 1.179 495 V CA 1.426 63.538 62.300 -0.312 0.000 1.174 495 V CB -1.291 30.263 31.823 -0.449 0.000 0.794 495 V HN 0.613 nan 8.190 nan 0.000 0.527 496 F N -0.141 119.878 119.950 0.115 0.000 2.505 496 F HA 0.339 4.865 4.527 -0.001 0.000 0.289 496 F C 1.595 177.456 175.800 0.102 0.000 1.101 496 F CA 0.292 58.358 58.000 0.109 0.000 1.446 496 F CB 0.114 39.188 39.000 0.125 0.000 1.123 496 F HN 0.234 nan 8.300 nan 0.000 0.564 497 N N 0.740 119.577 118.700 0.228 0.000 3.025 497 N HA 0.142 4.881 4.740 -0.001 0.000 0.315 497 N C 0.503 176.015 175.510 0.003 0.000 1.511 497 N CA -0.059 53.075 53.050 0.140 0.000 1.097 497 N CB -0.073 38.466 38.487 0.087 0.000 1.395 497 N HN 0.045 nan 8.380 nan 0.000 0.511 498 R N -0.068 120.358 120.500 -0.124 0.000 2.346 498 R HA 0.053 4.392 4.340 -0.001 0.000 0.199 498 R C -0.329 175.341 176.300 -1.051 0.000 1.015 498 R CA 0.747 56.483 56.100 -0.606 0.000 1.058 498 R CB -0.008 29.780 30.300 -0.853 0.000 0.921 498 R HN 0.267 nan 8.270 nan 0.000 0.475 499 F N -1.898 118.086 119.950 0.056 0.000 2.505 499 F HA 0.295 4.821 4.527 -0.001 0.000 0.383 499 F C -1.945 173.896 175.800 0.067 0.000 1.509 499 F CA -2.045 55.989 58.000 0.058 0.000 1.101 499 F CB 1.128 40.158 39.000 0.049 0.000 1.367 499 F HN -0.185 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 1.761 64.925 63.100 0.106 0.000 0.909 500 P CB 0.111 31.838 31.700 0.046 0.000 0.793 501 E N -0.811 119.470 120.200 0.134 0.000 2.392 501 E HA -0.001 4.349 4.350 -0.001 0.000 0.307 501 E C 0.288 177.013 176.600 0.208 0.000 1.505 501 E CA 0.094 56.579 56.400 0.141 0.000 1.716 501 E CB -1.379 28.383 29.700 0.105 0.000 1.450 501 E HN 0.304 nan 8.360 nan 0.000 0.484 502 N N 0.909 119.751 118.700 0.236 0.000 2.075 502 N HA -0.079 4.661 4.740 -0.001 0.000 0.226 502 N C 0.147 175.822 175.510 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 0.059 120.016 119.800 0.262 0.000 2.264 503 Q HA -0.201 4.139 4.340 -0.001 0.000 0.207 503 Q C 0.793 177.001 176.000 0.346 0.000 0.702 503 Q CA 1.559 57.562 55.803 0.333 0.000 1.411 503 Q CB -1.249 27.729 28.738 0.400 0.000 1.717 503 Q HN 0.615 nan 8.270 nan 0.000 0.683 504 I N -1.882 118.775 120.570 0.146 0.000 4.079 504 I HA -0.020 4.150 4.170 -0.001 0.000 0.276 504 I C 1.237 177.323 176.117 -0.052 0.000 1.146 504 I CA -0.082 61.215 61.300 -0.006 0.000 1.324 504 I CB 0.211 38.107 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 0.099 0.000 1.150 505 L CA -0.150 54.612 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 1.196 124.102 122.820 0.144 0.000 2.464 506 A HA 0.030 4.350 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 0.182 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 -0.258 120.320 120.500 0.131 0.000 2.451 507 R HA 0.417 4.757 4.340 -0.001 0.000 0.307 507 R C -2.974 173.366 176.300 0.065 0.000 0.965 507 R CA -1.916 54.248 56.100 0.106 0.000 0.865 507 R CB 1.216 31.578 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 -2.498 174.795 177.300 -0.010 0.000 1.168 508 P CA -0.511 62.602 63.100 0.023 0.000 0.759 508 P CB 0.141 31.852 31.700 0.019 0.000 0.782 509 P HA 0.087 nan 4.420 nan 0.000 0.268 509 P C -0.572 176.693 177.300 -0.059 0.000 1.204 509 P CA 0.136 63.211 63.100 -0.041 0.000 0.768 509 P CB 0.427 32.095 31.700 -0.054 0.000 0.842 510 A N 5.821 128.609 122.820 -0.053 0.000 2.451 510 A HA 0.360 4.679 4.320 -0.001 0.000 0.266 510 A C -1.875 175.663 177.584 -0.077 0.000 1.119 510 A CA -1.079 50.921 52.037 -0.061 0.000 0.786 510 A CB -0.821 18.155 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 32.311 31.700 -0.099 0.000 0.927 512 T N -0.176 114.343 114.554 -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 -0.428 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 0.636 62.011 61.300 0.125 0.000 2.037 513 I CB -2.120 35.945 38.000 0.108 0.000 3.544 513 I HN 1.119 nan 8.210 nan 0.000 0.169 514 T N 1.046 115.658 114.554 0.098 0.000 2.934 514 T HA 0.919 5.269 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 -0.158 61.985 62.100 0.072 0.000 1.041 514 T CB 1.994 70.881 68.868 0.031 0.000 1.042 514 T HN 0.635 nan 8.240 nan 0.000 0.505 515 T N -1.385 113.229 114.554 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 61.346 62.100 0.133 0.000 1.024 515 T CB 1.488 70.391 68.868 0.059 0.000 1.090 515 T HN 0.614 nan 8.240 nan 0.000 0.496 516 V N 1.305 121.318 119.914 0.166 0.000 2.668 516 V HA 0.511 4.631 4.120 -0.001 0.000 0.304 516 V C 0.235 176.384 176.094 0.093 0.000 1.071 516 V CA -1.022 61.344 62.300 0.109 0.000 0.894 516 V CB 1.962 33.846 31.823 0.102 0.000 1.008 516 V HN 1.152 nan 8.190 nan 0.000 0.425 517 S N 3.735 119.457 115.700 0.037 0.000 2.525 517 S HA 0.203 4.672 4.470 -0.001 0.000 0.285 517 S C -0.278 174.335 174.600 0.021 0.000 1.283 517 S CA 0.175 58.386 58.200 0.019 0.000 1.072 517 S CB 0.153 63.335 63.200 -0.030 0.000 0.867 517 S HN 0.838 nan 8.310 nan 0.000 0.492 518 E N 4.091 124.313 120.200 0.037 0.000 2.256 518 E HA 0.268 4.617 4.350 -0.001 0.000 0.268 518 E C -0.942 175.650 176.600 -0.013 0.000 0.877 518 E CA -0.771 55.646 56.400 0.027 0.000 0.757 518 E CB 0.850 30.592 29.700 0.070 0.000 1.183 518 E HN 0.675 nan 8.360 nan 0.000 0.418 519 N N 2.265 120.947 118.700 -0.029 0.000 2.518 519 N HA 0.345 5.085 4.740 -0.001 0.000 0.283 519 N C -1.415 174.095 175.510 -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 40.313 38.487 -0.093 0.000 1.139 519 N HN 0.247 nan 8.380 nan 0.000 0.465 520 V N 3.863 123.771 119.914 -0.009 0.000 2.932 520 V HA 0.460 4.580 4.120 -0.001 0.000 0.307 520 V C -2.433 173.769 176.094 0.180 0.000 1.147 520 V CA -1.879 60.450 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 0.302 nan 4.420 nan 0.000 0.271 521 P C -1.014 176.341 177.300 0.091 0.000 1.216 521 P CA -0.109 63.082 63.100 0.152 0.000 0.771 521 P CB 1.346 32.962 31.700 -0.141 0.000 0.864 522 A N 5.114 128.012 122.820 0.129 0.000 2.328 522 A HA 0.398 4.718 4.320 -0.001 0.000 0.318 522 A C 0.217 177.866 177.584 0.108 0.000 1.347 522 A CA -0.749 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 3.315 124.576 121.223 0.063 0.000 2.395 523 L HA 0.170 4.509 4.340 -0.001 0.000 0.268 523 L C 1.074 177.953 176.870 0.014 0.000 1.223 523 L CA -0.089 54.774 54.840 0.038 0.000 1.093 523 L CB -0.037 42.033 42.059 0.018 0.000 1.349 523 L HN 0.772 nan 8.230 nan 0.000 0.427 524 T N 0.528 115.088 114.554 0.009 0.000 2.810 524 T HA 0.208 4.558 4.350 -0.001 0.000 0.277 524 T C -0.598 173.975 174.700 -0.212 0.000 0.973 524 T CA -0.393 61.656 62.100 -0.084 0.000 0.949 524 T CB 1.244 70.069 68.868 -0.072 0.000 1.075 524 T HN 0.549 nan 8.240 nan 0.000 0.537 525 D N 0.615 120.793 120.400 -0.370 0.000 2.452 525 D HA 0.155 4.794 4.640 -0.001 0.000 0.226 525 D C -0.889 175.143 176.300 -0.447 0.000 1.366 525 D CA -0.425 53.363 54.000 -0.354 0.000 0.986 525 D CB 0.482 41.187 40.800 -0.159 0.000 1.420 525 D HN 0.620 nan 8.370 nan 0.000 0.583 526 H N 1.216 120.232 119.070 -0.091 0.000 2.544 526 H HA 0.431 4.987 4.556 -0.001 0.000 0.365 526 H C 1.324 176.615 175.328 -0.063 0.000 1.268 526 H CA -0.073 55.931 56.048 -0.072 0.000 1.400 526 H CB 0.761 30.449 29.762 -0.123 0.000 1.538 526 H HN 0.476 nan 8.280 nan 0.000 0.597 527 G N -0.343 108.494 108.800 0.062 0.000 2.394 527 G HA2 0.018 3.977 3.960 -0.001 0.000 0.256 527 G HA3 0.018 3.977 3.960 -0.001 0.000 0.256 527 G C -0.104 174.799 174.900 0.006 0.000 1.504 527 G CA 0.210 45.319 45.100 0.016 0.000 1.051 527 G HN 0.585 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 4.953 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 -0.722 61.375 62.100 -0.006 0.000 0.954 528 T CB 0.298 69.164 68.868 -0.003 0.000 0.934 528 T HN 0.329 nan 8.240 nan 0.000 0.440 529 L N 5.510 126.724 121.223 -0.014 0.000 2.322 529 L HA 0.635 4.974 4.340 -0.001 0.000 0.269 529 L C -2.366 174.502 176.870 -0.003 0.000 1.012 529 L CA -2.931 51.895 54.840 -0.022 0.000 0.815 529 L CB 2.128 44.159 42.059 -0.046 0.000 1.295 529 L HN 0.452 nan 8.230 nan 0.000 0.438 530 P HA 0.359 nan 4.420 nan 0.000 0.280 530 P C -1.389 175.926 177.300 0.025 0.000 1.244 530 P CA -0.362 62.753 63.100 0.025 0.000 0.784 530 P CB 0.977 32.680 31.700 0.004 0.000 0.913 531 L N 0.501 121.762 121.223 0.063 0.000 2.327 531 L HA 0.689 5.028 4.340 -0.001 0.000 0.258 531 L C 0.042 176.940 176.870 0.046 0.000 1.024 531 L CA -1.277 53.580 54.840 0.029 0.000 0.825 531 L CB 0.848 42.906 42.059 -0.002 0.000 1.386 531 L HN 0.149 nan 8.230 nan 0.000 0.417 532 R N 0.324 120.826 120.500 0.003 0.000 2.738 532 R HA 0.234 4.574 4.340 -0.001 0.000 0.268 532 R C -0.393 175.888 176.300 -0.030 0.000 1.062 532 R CA -0.219 55.881 56.100 -0.000 0.000 1.158 532 R CB 0.009 30.294 30.300 -0.025 0.000 1.046 532 R HN 0.749 nan 8.270 nan 0.000 0.493 533 N N -0.629 118.054 118.700 -0.028 0.000 2.268 533 N HA -0.013 4.727 4.740 -0.001 0.000 0.204 533 N C -0.884 174.554 175.510 -0.120 0.000 1.124 533 N CA -0.173 52.819 53.050 -0.096 0.000 0.838 533 N CB 0.784 39.260 38.487 -0.018 0.000 0.994 533 N HN 0.442 nan 8.380 nan 0.000 0.489 534 S N 0.095 115.740 115.700 -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 -0.026 63.139 63.200 -0.060 0.000 1.163 534 S HN 0.087 nan 8.310 nan 0.000 0.449 535 I N 2.741 123.253 120.570 -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 60.997 61.300 -0.085 0.000 1.372 535 I CB 0.410 38.348 38.000 -0.104 0.000 1.408 535 I HN 0.734 nan 8.210 nan 0.000 0.516 536 G N 4.091 112.857 108.800 -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 45.022 45.100 -0.043 0.000 0.851 536 G HN 0.905 nan 8.290 nan 0.000 0.573 537 G N -0.082 108.707 108.800 -0.019 0.000 2.475 537 G HA2 0.038 3.997 3.960 -0.001 0.000 0.220 537 G HA3 0.038 3.997 3.960 -0.001 0.000 0.220 537 G C 0.765 175.665 174.900 -0.000 0.000 1.125 537 G CA 1.514 46.613 45.100 -0.002 0.000 0.755 537 G HN 1.456 nan 8.290 nan 0.000 0.565 538 V N -2.366 117.543 119.914 -0.009 0.000 2.407 538 V HA 0.623 4.743 4.120 -0.001 0.000 0.291 538 V C -1.031 175.044 176.094 -0.031 0.000 1.018 538 V CA -1.368 60.928 62.300 -0.006 0.000 0.842 538 V CB 1.673 33.499 31.823 0.006 0.000 0.996 538 V HN 0.001 nan 8.190 nan 0.000 0.426 539 Q N 3.095 122.870 119.800 -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 55.250 55.803 -0.081 0.000 0.895 539 Q CB 2.612 31.301 28.738 -0.081 0.000 1.249 539 Q HN 0.936 nan 8.270 nan 0.000 0.458 540 R N 0.291 120.696 120.500 -0.160 0.000 2.437 540 R HA 0.567 4.907 4.340 -0.001 0.000 0.310 540 R C -1.313 174.831 176.300 -0.259 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 -0.156 0.000 1.161 540 R HN 0.349 nan 8.270 nan 0.000 0.446 541 V N 3.192 122.845 119.914 -0.435 0.000 2.612 541 V HA 0.575 4.695 4.120 -0.001 0.000 0.301 541 V C -0.311 175.670 176.094 -0.188 0.000 1.046 541 V CA -0.454 61.625 62.300 -0.368 0.000 0.946 541 V CB 2.070 33.461 31.823 -0.720 0.000 1.003 541 V HN 0.880 nan 8.190 nan 0.000 0.459 542 T N 4.911 119.484 114.554 0.033 0.000 3.483 542 T HA 0.486 4.835 4.350 -0.001 0.000 0.329 542 T C -0.777 173.967 174.700 0.074 0.000 1.014 542 T CA -0.208 61.963 62.100 0.118 0.000 1.056 542 T CB 0.721 69.752 68.868 0.271 0.000 1.090 542 T HN 0.385 nan 8.240 nan 0.000 0.460 543 I N 3.283 123.834 120.570 -0.032 0.000 2.359 543 I HA 0.522 4.691 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 -0.461 60.717 61.300 -0.203 0.000 1.225 543 I CB 1.802 39.558 38.000 -0.407 0.000 1.366 543 I HN 0.512 nan 8.210 nan 0.000 0.466 544 T N 3.494 118.036 114.554 -0.020 0.000 2.916 544 T HA 0.337 4.687 4.350 -0.001 0.000 0.292 544 T C -0.750 173.917 174.700 -0.054 0.000 1.064 544 T CA -0.780 61.342 62.100 0.037 0.000 1.011 544 T CB 2.117 71.070 68.868 0.141 0.000 1.152 544 T HN 0.659 nan 8.240 nan 0.000 0.510 545 D N 0.021 120.399 120.400 -0.036 0.000 2.442 545 D HA 0.496 5.135 4.640 -0.001 0.000 0.254 545 D C 1.479 177.654 176.300 -0.209 0.000 1.069 545 D CA -0.592 53.335 54.000 -0.121 0.000 1.017 545 D CB 1.187 42.005 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 2.144 179.723 177.584 -0.009 0.000 1.190 546 A CA 1.650 53.588 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 0.636 nan 8.150 nan 0.000 0.457 547 R N -2.138 118.357 120.500 -0.008 0.000 2.275 547 R HA 0.040 4.379 4.340 -0.001 0.000 0.199 547 R C -0.380 175.940 176.300 0.033 0.000 0.989 547 R CA 0.185 56.293 56.100 0.014 0.000 1.016 547 R CB 0.146 30.441 30.300 -0.008 0.000 0.918 547 R HN 0.357 nan 8.270 nan 0.000 0.473 548 R N 0.792 121.320 120.500 0.046 0.000 2.534 548 R HA -0.115 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 0.591 56.734 56.100 0.070 0.000 0.702 548 R CB -1.647 28.699 30.300 0.078 0.000 2.044 548 R HN 0.575 nan 8.270 nan 0.000 0.463 549 R N -2.182 118.356 120.500 0.064 0.000 2.687 549 R HA 0.368 4.708 4.340 -0.001 0.000 0.265 549 R C -0.152 176.226 176.300 0.129 0.000 1.048 549 R CA -0.588 55.562 56.100 0.082 0.000 0.884 549 R CB 0.548 30.899 30.300 0.084 0.000 1.258 549 R HN 0.247 nan 8.270 nan 0.000 0.469 550 T N -1.649 112.974 114.554 0.116 0.000 2.724 550 T HA 0.115 4.465 4.350 -0.001 0.000 0.324 550 T C 0.175 174.963 174.700 0.147 0.000 1.071 550 T CA -0.294 61.864 62.100 0.097 0.000 1.061 550 T CB 0.848 69.752 68.868 0.059 0.000 0.990 550 T HN 0.693 nan 8.240 nan 0.000 0.543 551 C N 4.505 123.829 119.300 0.041 0.000 2.437 551 C HA 0.540 5.000 4.460 -0.001 0.000 0.307 551 C C -1.413 173.437 174.990 -0.234 0.000 1.093 551 C CA -1.737 57.248 59.018 -0.055 0.000 1.463 551 C CB 0.020 27.789 27.740 0.048 0.000 1.926 551 C HN 0.787 nan 8.230 nan 0.000 0.420 552 P HA -0.185 nan 4.420 nan 0.000 0.218 552 P C 0.222 177.192 177.300 -0.551 0.000 1.152 552 P CA 1.733 64.487 63.100 -0.577 0.000 0.857 552 P CB -0.107 31.059 31.700 -0.889 0.000 0.787 553 Y N -1.555 118.574 120.300 -0.286 0.000 2.550 553 Y HA 0.136 4.685 4.550 -0.001 0.000 0.351 553 Y C 0.538 176.375 175.900 -0.106 0.000 1.160 553 Y CA -0.414 57.575 58.100 -0.184 0.000 1.337 553 Y CB -0.691 37.649 38.460 -0.200 0.000 1.196 553 Y HN -0.247 nan 8.280 nan 0.000 0.498 554 V N 0.655 120.575 119.914 0.009 0.000 2.347 554 V HA 0.012 4.131 4.120 -0.001 0.000 0.280 554 V C 0.358 176.532 176.094 0.133 0.000 1.021 554 V CA -0.782 61.544 62.300 0.043 0.000 0.847 554 V CB 0.725 32.557 31.823 0.015 0.000 0.990 554 V HN 0.344 nan 8.190 nan 0.000 0.444 555 Y N 5.111 125.401 120.300 -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 0.591 58.707 58.100 0.028 0.000 1.184 555 Y CB 0.388 38.855 38.460 0.013 0.000 1.047 555 Y HN 0.510 nan 8.280 nan 0.000 0.546 556 K N 0.480 120.649 120.400 -0.386 0.000 2.550 556 K HA 0.664 4.983 4.320 -0.001 0.000 0.252 556 K C -1.918 174.569 176.600 -0.187 0.000 0.943 556 K CA -0.479 55.469 56.287 -0.564 0.000 0.806 556 K CB 1.618 33.732 32.500 -0.644 0.000 1.289 556 K HN 0.062 nan 8.250 nan 0.000 0.435 557 A N 4.564 127.287 122.820 -0.162 0.000 2.355 557 A HA 0.800 5.120 4.320 -0.001 0.000 0.317 557 A C -1.515 176.197 177.584 0.214 0.000 1.094 557 A CA -0.714 51.434 52.037 0.185 0.000 0.764 557 A CB 0.907 20.099 19.000 0.319 0.000 1.230 557 A HN 0.628 nan 8.150 nan 0.000 0.448 558 L N 2.006 123.404 121.223 0.292 0.000 2.464 558 L HA 0.676 5.016 4.340 -0.001 0.000 0.266 558 L C 0.036 176.989 176.870 0.138 0.000 0.965 558 L CA -0.519 54.432 54.840 0.185 0.000 0.833 558 L CB 2.495 44.610 42.059 0.093 0.000 1.296 558 L HN 0.922 nan 8.230 nan 0.000 0.405 559 G N 4.183 113.053 108.800 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 -1.224 173.690 174.900 0.023 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 1.856 122.406 120.570 -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 -0.132 0.000 1.010 560 I CA -0.977 60.280 61.300 -0.072 0.000 1.098 560 I CB 2.298 40.283 38.000 -0.025 0.000 1.266 560 I HN 0.065 nan 8.210 nan 0.000 0.434 561 V N 4.514 124.314 119.914 -0.190 0.000 2.555 561 V HA 0.424 4.544 4.120 -0.001 0.000 0.302 561 V C -0.170 175.822 176.094 -0.170 0.000 1.038 561 V CA -0.497 61.710 62.300 -0.154 0.000 0.887 561 V CB 2.092 33.834 31.823 -0.136 0.000 0.991 561 V HN 0.784 nan 8.190 nan 0.000 0.434 562 S N 5.764 121.401 115.700 -0.106 0.000 2.406 562 S HA 0.389 4.858 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 0.878 64.047 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 -0.578 176.881 177.300 0.265 0.000 1.223 563 P CA -0.339 62.823 63.100 0.102 0.000 0.784 563 P CB 0.580 32.259 31.700 -0.036 0.000 0.923 564 R N 0.156 120.914 120.500 0.430 0.000 2.604 564 R HA 0.446 4.785 4.340 -0.001 0.000 0.261 564 R C -1.230 175.102 176.300 0.054 0.000 1.080 564 R CA -1.092 55.201 56.100 0.321 0.000 0.917 564 R CB 0.599 30.972 30.300 0.121 0.000 1.252 564 R HN 0.212 nan 8.270 nan 0.000 0.456 565 V N 4.152 123.772 119.914 -0.490 0.000 2.788 565 V HA 0.048 4.168 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 0.518 62.322 62.300 -0.826 0.000 1.173 565 V CB 0.507 31.801 31.823 -0.882 0.000 0.925 565 V HN 0.856 nan 8.190 nan 0.000 0.492 566 L N 4.729 125.777 121.223 -0.291 0.000 2.624 566 L HA 0.349 4.689 4.340 -0.001 0.000 0.222 566 L C 0.868 177.678 176.870 -0.100 0.000 1.046 566 L CA 0.796 55.556 54.840 -0.132 0.000 0.872 566 L CB 0.690 42.714 42.059 -0.058 0.000 1.190 566 L HN 0.920 nan 8.230 nan 0.000 0.487 567 S N -2.470 113.174 115.700 -0.094 0.000 2.755 567 S HA 0.529 4.998 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 1.777 64.999 63.200 0.037 0.000 1.240 567 S HN -0.112 nan 8.310 nan 0.000 0.525 568 S N -0.383 115.331 115.700 0.022 0.000 2.542 568 S HA 0.580 5.050 4.470 -0.001 0.000 0.293 568 S C 0.066 174.660 174.600 -0.009 0.000 1.089 568 S CA -0.990 57.191 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 0.649 nan 8.310 nan 0.000 0.483 569 R N 0.890 121.319 120.500 -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 0.576 56.608 56.100 -0.114 0.000 1.067 569 R CB 0.253 30.400 30.300 -0.255 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