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_B 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 1.337 176.288 174.900 0.086 0.000 0.965 50 G CA 1.954 47.080 45.100 0.043 0.000 0.846 50 G HN 1.211 nan 8.290 nan 0.000 1.096 51 G N -0.635 108.205 108.800 0.065 0.000 2.939 51 G HA2 0.231 4.191 3.960 -0.001 0.000 0.210 51 G HA3 0.231 4.191 3.960 -0.001 0.000 0.210 51 G C 1.604 176.551 174.900 0.078 0.000 1.160 51 G CA 0.844 45.996 45.100 0.087 0.000 0.770 51 G HN 0.636 nan 8.290 nan 0.000 0.543 52 R N 0.777 121.304 120.500 0.046 0.000 2.323 52 R HA 0.121 4.461 4.340 -0.001 0.000 0.198 52 R C 1.570 177.912 176.300 0.070 0.000 0.988 52 R CA 0.297 56.409 56.100 0.020 0.000 1.041 52 R CB -0.012 30.245 30.300 -0.072 0.000 0.926 52 R HN 0.263 nan 8.270 nan 0.000 0.476 53 N N 1.522 120.299 118.700 0.129 0.000 2.131 53 N HA -0.110 4.630 4.740 -0.001 0.000 0.190 53 N C 0.391 176.035 175.510 0.224 0.000 1.055 53 N CA 1.155 54.345 53.050 0.232 0.000 0.853 53 N CB -0.787 37.868 38.487 0.280 0.000 1.035 53 N HN 0.140 nan 8.380 nan 0.000 0.440 54 S N 0.992 116.581 115.700 -0.186 0.000 4.684 54 S HA -0.207 4.263 4.470 -0.001 0.000 0.558 54 S C 0.065 174.533 174.600 -0.220 0.000 0.881 54 S CA 0.114 58.055 58.200 -0.432 0.000 1.166 54 S CB -1.444 61.592 63.200 -0.275 0.000 2.091 54 S HN 0.282 nan 8.310 nan 0.000 0.346 55 I N 4.516 124.904 120.570 -0.303 0.000 2.354 55 I HA 0.405 4.575 4.170 -0.001 0.000 0.286 55 I C 0.709 176.702 176.117 -0.207 0.000 1.007 55 I CA -0.614 60.512 61.300 -0.290 0.000 1.167 55 I CB 1.185 39.010 38.000 -0.292 0.000 1.320 55 I HN 0.645 nan 8.210 nan 0.000 0.458 56 R N 5.041 125.446 120.500 -0.159 0.000 2.732 56 R HA 0.626 4.966 4.340 -0.001 0.000 0.278 56 R C -1.409 174.898 176.300 0.011 0.000 0.976 56 R CA -0.877 55.177 56.100 -0.076 0.000 0.963 56 R CB 2.623 32.872 30.300 -0.086 0.000 1.150 56 R HN 0.422 nan 8.270 nan 0.000 0.478 57 Y N -0.107 120.133 120.300 -0.099 0.000 2.638 57 Y HA 0.261 4.810 4.550 -0.001 0.000 0.339 57 Y C -0.318 175.540 175.900 -0.069 0.000 1.084 57 Y CA -0.984 57.063 58.100 -0.088 0.000 1.068 57 Y CB 1.992 40.408 38.460 -0.072 0.000 1.294 57 Y HN 0.687 nan 8.280 nan 0.000 0.480 58 S N 2.415 117.488 115.700 -1.045 0.000 2.544 58 S HA 0.028 4.497 4.470 -0.001 0.000 0.290 58 S C 0.529 174.961 174.600 -0.280 0.000 1.276 58 S CA 0.806 58.630 58.200 -0.626 0.000 1.075 58 S CB -0.201 62.553 63.200 -0.744 0.000 0.849 58 S HN 0.890 nan 8.310 nan 0.000 0.494 59 E N 0.931 121.059 120.200 -0.119 0.000 3.340 59 E HA -0.301 4.048 4.350 -0.001 0.000 0.246 59 E C 0.986 177.624 176.600 0.063 0.000 0.762 59 E CA 1.377 57.769 56.400 -0.013 0.000 0.783 59 E CB -1.038 28.664 29.700 0.003 0.000 1.409 59 E HN 0.718 nan 8.360 nan 0.000 0.449 60 L N -0.391 120.922 121.223 0.149 0.000 2.642 60 L HA 0.023 4.363 4.340 -0.001 0.000 0.236 60 L C 0.490 177.438 176.870 0.130 0.000 1.169 60 L CA 1.475 56.436 54.840 0.201 0.000 0.851 60 L CB -0.376 41.901 42.059 0.363 0.000 0.968 60 L HN 0.319 nan 8.230 nan 0.000 0.453 61 A N -2.606 120.272 122.820 0.096 0.000 2.437 61 A HA -0.001 4.319 4.320 -0.001 0.000 0.686 61 A C -2.428 175.194 177.584 0.064 0.000 0.140 61 A CA -0.461 51.622 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 0.153 nan 8.150 nan 0.000 0.548 62 P HA 0.592 nan 4.420 nan 0.000 0.276 62 P C -0.819 176.513 177.300 0.052 0.000 1.235 62 P CA -0.164 62.935 63.100 -0.000 0.000 0.772 62 P CB 0.687 32.450 31.700 0.105 0.000 0.871 63 L N 4.324 125.495 121.223 -0.088 0.000 2.346 63 L HA 0.592 4.931 4.340 -0.001 0.000 0.274 63 L C -1.226 175.580 176.870 -0.106 0.000 1.007 63 L CA -0.402 54.453 54.840 0.026 0.000 0.818 63 L CB 0.873 42.924 42.059 -0.014 0.000 1.284 63 L HN 0.182 nan 8.230 nan 0.000 0.424 64 F N 3.059 123.039 119.950 0.050 0.000 2.482 64 F HA 0.561 5.088 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 1.294 40.332 39.000 0.063 0.000 1.136 64 F HN 0.564 nan 8.300 nan 0.000 0.452 65 D N -0.522 120.060 120.400 0.303 0.000 9.601 65 D HA -0.224 4.416 4.640 -0.001 0.000 0.351 65 D C 0.044 176.485 176.300 0.235 0.000 2.917 65 D CA 0.512 54.678 54.000 0.277 0.000 2.218 65 D CB -0.411 40.505 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 0.237 4.587 4.350 -0.001 0.000 0.311 66 T C 0.425 175.164 174.700 0.065 0.000 1.052 66 T CA 1.798 63.987 62.100 0.149 0.000 1.131 66 T CB 0.200 69.127 68.868 0.100 0.000 1.082 66 T HN 0.585 nan 8.240 nan 0.000 0.511 67 T N 3.481 118.036 114.554 0.002 0.000 2.589 67 T HA 0.623 4.972 4.350 -0.001 0.000 0.261 67 T C -1.651 172.986 174.700 -0.105 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 -0.061 0.000 1.576 67 T HN 0.669 nan 8.240 nan 0.000 0.464 68 R N 1.049 121.447 120.500 -0.170 0.000 2.522 68 R HA 0.581 4.921 4.340 -0.001 0.000 0.283 68 R C -1.261 174.763 176.300 -0.460 0.000 1.074 68 R CA -0.734 55.160 56.100 -0.344 0.000 0.925 68 R CB 1.977 32.007 30.300 -0.449 0.000 1.205 68 R HN 0.619 nan 8.270 nan 0.000 0.436 69 V N -0.053 119.590 119.914 -0.452 0.000 2.581 69 V HA 0.658 4.778 4.120 -0.001 0.000 0.303 69 V C -1.062 174.784 176.094 -0.412 0.000 1.041 69 V CA -0.813 61.293 62.300 -0.323 0.000 0.907 69 V CB 1.351 33.064 31.823 -0.184 0.000 0.994 69 V HN 0.595 nan 8.190 nan 0.000 0.442 70 Y N 3.591 123.868 120.300 -0.038 0.000 2.341 70 Y HA 0.667 5.217 4.550 -0.000 0.000 0.338 70 Y C -0.021 175.881 175.900 0.003 0.000 0.965 70 Y CA -0.897 57.193 58.100 -0.018 0.000 1.108 70 Y CB 1.972 40.425 38.460 -0.011 0.000 1.180 70 Y HN 0.543 nan 8.280 nan 0.000 0.458 71 L N 5.846 127.169 121.223 0.167 0.000 2.272 71 L HA 0.577 4.917 4.340 -0.001 0.000 0.284 71 L C -0.598 176.402 176.870 0.216 0.000 1.045 71 L CA -0.855 54.072 54.840 0.144 0.000 0.842 71 L CB 0.350 42.459 42.059 0.083 0.000 1.224 71 L HN 0.488 nan 8.230 nan 0.000 0.430 72 V N -0.375 119.676 119.914 0.228 0.000 2.789 72 V HA 0.485 4.604 4.120 -0.001 0.000 0.311 72 V C 0.146 176.390 176.094 0.250 0.000 1.073 72 V CA -0.661 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 0.630 nan 8.190 nan 0.000 0.426 73 D N 3.558 124.013 120.400 0.091 0.000 2.202 73 D HA -0.124 4.515 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 1.578 55.506 54.000 -0.121 0.000 0.871 73 D CB -0.671 39.703 40.800 -0.711 0.000 1.020 73 D HN 0.748 nan 8.370 nan 0.000 0.474 74 N N 1.191 119.841 118.700 -0.083 0.000 2.651 74 N HA -0.196 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 0.309 53.335 53.050 -0.040 0.000 0.933 74 N CB -0.737 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 1.089 121.503 120.400 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 0.477 33.009 32.500 0.053 0.000 0.946 75 K HN 0.279 nan 8.250 nan 0.000 0.473 76 S N 2.073 117.791 115.700 0.031 0.000 2.365 76 S HA -0.253 4.217 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 62.329 63.200 0.025 0.000 0.887 76 S HN 0.860 nan 8.310 nan 0.000 0.447 77 T N 0.595 115.175 114.554 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 -0.752 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 1.467 121.910 120.400 0.071 0.000 2.087 78 D HA -0.067 4.573 4.640 -0.001 0.000 0.192 78 D C 2.448 178.809 176.300 0.101 0.000 0.993 78 D CA 1.206 55.260 54.000 0.090 0.000 0.828 78 D CB -0.906 39.961 40.800 0.111 0.000 0.968 78 D HN 0.306 nan 8.370 nan 0.000 0.448 79 V N 2.104 122.077 119.914 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 2.721 65.085 62.300 0.105 0.000 1.032 79 V CB -1.267 30.602 31.823 0.077 0.000 0.655 79 V HN 0.286 nan 8.190 nan 0.000 0.458 80 A N 0.361 123.257 122.820 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 3.640 55.753 52.037 0.127 0.000 0.657 80 A CB -0.911 18.132 19.000 0.071 0.000 0.827 80 A HN 0.856 nan 8.150 nan 0.000 0.462 81 S N -1.731 114.012 115.700 0.072 0.000 2.456 81 S HA 0.261 4.730 4.470 -0.001 0.000 0.224 81 S C 1.668 176.308 174.600 0.067 0.000 1.035 81 S CA 0.882 59.111 58.200 0.047 0.000 0.940 81 S CB -0.255 62.969 63.200 0.040 0.000 0.799 81 S HN 0.433 nan 8.310 nan 0.000 0.508 82 L N 1.128 122.411 121.223 0.099 0.000 2.590 82 L HA 0.290 4.629 4.340 -0.001 0.000 0.181 82 L C 0.303 177.254 176.870 0.136 0.000 1.134 82 L CA 0.245 55.148 54.840 0.105 0.000 0.850 82 L CB -0.509 41.611 42.059 0.101 0.000 1.172 82 L HN 0.240 nan 8.230 nan 0.000 0.498 83 N N -0.205 118.589 118.700 0.156 0.000 2.802 83 N HA -0.043 4.697 4.740 -0.001 0.000 0.288 83 N C 0.640 176.237 175.510 0.145 0.000 1.268 83 N CA -0.220 52.925 53.050 0.158 0.000 1.035 83 N CB -0.481 38.124 38.487 0.196 0.000 1.353 83 N HN 0.250 nan 8.380 nan 0.000 0.522 84 Y N 1.193 121.511 120.300 0.030 0.000 2.114 84 Y HA -0.129 4.421 4.550 -0.001 0.000 0.284 84 Y C 1.963 177.861 175.900 -0.002 0.000 1.143 84 Y CA 1.795 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 0.276 nan 8.280 nan 0.000 0.499 85 Q N 0.502 120.388 119.800 0.144 0.000 2.482 85 Q HA -0.029 4.310 4.340 -0.001 0.000 0.209 85 Q C -0.178 175.819 176.000 -0.005 0.000 0.961 85 Q CA -0.089 55.739 55.803 0.040 0.000 0.945 85 Q CB 0.032 28.833 28.738 0.104 0.000 1.012 85 Q HN 0.475 nan 8.270 nan 0.000 0.515 86 N N 1.018 119.725 118.700 0.012 0.000 2.538 86 N HA 0.151 4.890 4.740 -0.001 0.000 0.292 86 N C -0.637 174.842 175.510 -0.051 0.000 1.262 86 N CA -0.113 52.949 53.050 0.020 0.000 0.976 86 N CB 0.811 39.361 38.487 0.104 0.000 1.161 86 N HN 0.090 nan 8.380 nan 0.000 0.598 87 D N -1.816 118.568 120.400 -0.026 0.000 2.559 87 D HA 0.186 4.825 4.640 -0.001 0.000 0.250 87 D C 0.435 176.715 176.300 -0.034 0.000 1.135 87 D CA -0.351 53.573 54.000 -0.127 0.000 0.955 87 D CB 0.408 41.129 40.800 -0.133 0.000 1.442 87 D HN 0.301 nan 8.370 nan 0.000 0.471 88 H N -0.139 118.859 119.070 -0.119 0.000 2.520 88 H HA -0.089 4.467 4.556 -0.001 0.000 0.295 88 H C 1.360 176.685 175.328 -0.005 0.000 1.096 88 H CA 1.441 57.367 56.048 -0.203 0.000 1.249 88 H CB -0.038 29.598 29.762 -0.210 0.000 1.365 88 H HN 0.361 nan 8.280 nan 0.000 0.556 89 S N -0.159 115.640 115.700 0.165 0.000 2.577 89 S HA 0.014 4.484 4.470 -0.001 0.000 0.219 89 S C 0.159 174.886 174.600 0.211 0.000 0.962 89 S CA -0.117 58.169 58.200 0.143 0.000 0.921 89 S CB -0.231 62.992 63.200 0.039 0.000 0.789 89 S HN 0.540 nan 8.310 nan 0.000 0.497 90 N N 0.702 119.605 118.700 0.338 0.000 3.357 90 N HA 0.228 4.968 4.740 -0.001 0.000 0.206 90 N C -0.920 174.799 175.510 0.347 0.000 1.458 90 N CA -0.599 52.614 53.050 0.272 0.000 0.776 90 N CB -0.152 38.433 38.487 0.165 0.000 1.626 90 N HN 0.251 nan 8.380 nan 0.000 0.644 91 F N 0.150 120.156 119.950 0.094 0.000 2.691 91 F HA 0.781 5.307 4.527 -0.000 0.000 0.334 91 F C -1.216 174.635 175.800 0.085 0.000 1.107 91 F CA -1.239 56.813 58.000 0.087 0.000 0.991 91 F CB 1.347 40.406 39.000 0.098 0.000 1.400 91 F HN -0.047 nan 8.300 nan 0.000 0.503 92 L N 0.931 122.271 121.223 0.196 0.000 2.342 92 L HA 0.731 5.071 4.340 -0.001 0.000 0.271 92 L C -0.779 176.184 176.870 0.156 0.000 1.008 92 L CA -0.664 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 -0.391 114.202 114.554 0.064 0.000 2.909 93 T HA 0.255 4.605 4.350 -0.001 0.000 0.299 93 T C -0.518 174.223 174.700 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 1.361 115.962 114.554 0.080 0.000 2.743 94 T HA 0.312 4.662 4.350 -0.001 0.000 0.293 94 T C 0.948 175.680 174.700 0.054 0.000 0.945 94 T CA -0.323 61.811 62.100 0.057 0.000 1.030 94 T CB 0.763 69.670 68.868 0.064 0.000 0.912 94 T HN 0.427 nan 8.240 nan 0.000 0.483 95 V N 6.898 126.832 119.914 0.033 0.000 3.406 95 V HA 0.299 4.419 4.120 -0.001 0.000 0.263 95 V C 0.636 176.739 176.094 0.014 0.000 1.172 95 V CA 0.307 62.624 62.300 0.029 0.000 1.140 95 V CB -0.182 31.639 31.823 -0.002 0.000 0.784 95 V HN 0.754 nan 8.190 nan 0.000 0.467 96 I N 2.182 122.759 120.570 0.013 0.000 2.406 96 I HA 0.207 4.376 4.170 -0.001 0.000 0.293 96 I C 0.668 176.787 176.117 0.004 0.000 1.101 96 I CA 0.434 61.726 61.300 -0.012 0.000 1.334 96 I CB 0.833 38.861 38.000 0.046 0.000 1.421 96 I HN 0.374 nan 8.210 nan 0.000 0.513 97 Q N 5.013 124.795 119.800 -0.029 0.000 2.297 97 Q HA 0.131 4.471 4.340 -0.001 0.000 0.265 97 Q C 0.241 176.241 176.000 -0.000 0.000 0.904 97 Q CA -0.040 55.762 55.803 -0.002 0.000 0.969 97 Q CB -0.336 28.405 28.738 0.003 0.000 1.115 97 Q HN 0.544 nan 8.270 nan 0.000 0.433 98 N N 1.135 119.860 118.700 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 0.590 39.224 38.487 0.244 0.000 1.120 98 N HN -0.037 nan 8.380 nan 0.000 0.505 99 N N 3.315 122.055 118.700 0.067 0.000 2.182 99 N HA -0.234 4.505 4.740 -0.001 0.000 0.192 99 N C 0.225 175.737 175.510 0.002 0.000 1.007 99 N CA 1.706 54.775 53.050 0.031 0.000 0.873 99 N CB 0.065 38.556 38.487 0.008 0.000 0.998 99 N HN 0.610 nan 8.380 nan 0.000 0.436 100 D N -1.764 118.609 120.400 -0.045 0.000 2.340 100 D HA -0.040 4.599 4.640 -0.001 0.000 0.220 100 D C -0.273 175.790 176.300 -0.394 0.000 1.039 100 D CA 0.317 54.166 54.000 -0.253 0.000 0.866 100 D CB -0.001 40.534 40.800 -0.441 0.000 0.913 100 D HN 0.366 nan 8.370 nan 0.000 0.523 101 Y N 0.838 121.163 120.300 0.041 0.000 2.509 101 Y HA 0.238 4.788 4.550 -0.001 0.000 0.341 101 Y C 0.984 176.903 175.900 0.032 0.000 1.038 101 Y CA -1.086 57.037 58.100 0.039 0.000 1.089 101 Y CB 1.304 39.798 38.460 0.055 0.000 1.241 101 Y HN -0.286 nan 8.280 nan 0.000 0.468 102 S N 2.552 118.368 115.700 0.193 0.000 2.572 102 S HA 0.016 4.486 4.470 -0.001 0.000 0.267 102 S C -1.937 172.733 174.600 0.116 0.000 1.361 102 S CA -0.774 57.495 58.200 0.114 0.000 1.009 102 S CB 0.419 63.672 63.200 0.088 0.000 0.888 102 S HN 0.513 nan 8.310 nan 0.000 0.553 103 P HA 0.065 nan 4.420 nan 0.000 0.217 103 P C 1.753 179.091 177.300 0.062 0.000 1.154 103 P CA 0.997 64.141 63.100 0.074 0.000 0.841 103 P CB -0.326 31.412 31.700 0.064 0.000 0.788 104 G N 0.475 109.308 108.800 0.054 0.000 2.514 104 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.217 104 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.217 104 G C 1.624 176.548 174.900 0.041 0.000 1.198 104 G CA 1.196 46.321 45.100 0.041 0.000 0.780 104 G HN 0.296 nan 8.290 nan 0.000 0.565 105 E N 0.508 120.744 120.200 0.060 0.000 2.114 105 E HA -0.161 4.189 4.350 -0.001 0.000 0.199 105 E C 2.723 179.332 176.600 0.015 0.000 1.008 105 E CA 1.458 57.894 56.400 0.060 0.000 0.810 105 E CB -0.371 29.412 29.700 0.137 0.000 0.739 105 E HN 0.361 nan 8.360 nan 0.000 0.456 106 A N 0.742 123.587 122.820 0.042 0.000 1.908 106 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 106 A C 2.322 179.900 177.584 -0.011 0.000 1.181 106 A CA 2.071 54.109 52.037 0.002 0.000 0.627 106 A CB -1.020 18.018 19.000 0.064 0.000 0.818 106 A HN 0.479 nan 8.150 nan 0.000 0.445 107 S N -0.924 114.781 115.700 0.007 0.000 2.488 107 S HA -0.143 4.327 4.470 -0.001 0.000 0.246 107 S C 1.544 176.133 174.600 -0.019 0.000 0.992 107 S CA 1.972 60.172 58.200 0.000 0.000 0.963 107 S CB -0.867 62.339 63.200 0.010 0.000 0.754 107 S HN 0.537 nan 8.310 nan 0.000 0.519 108 T N 1.933 116.466 114.554 -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 -0.001 175.953 176.000 -0.076 0.000 1.109 109 Q CA 0.303 56.013 55.803 -0.155 0.000 0.968 109 Q CB 0.008 28.613 28.738 -0.222 0.000 1.309 109 Q HN 0.492 nan 8.270 nan 0.000 0.497 110 T N -2.844 111.662 114.554 -0.079 0.000 2.894 110 T HA 0.599 4.949 4.350 -0.001 0.000 0.309 110 T C -0.549 174.161 174.700 0.017 0.000 1.208 110 T CA -0.876 61.206 62.100 -0.029 0.000 1.016 110 T CB 0.787 69.618 68.868 -0.062 0.000 1.192 110 T HN 0.447 nan 8.240 nan 0.000 0.491 111 I N 2.885 123.462 120.570 0.011 0.000 2.342 111 I HA 0.310 4.479 4.170 -0.001 0.000 0.291 111 I C -0.124 175.934 176.117 -0.100 0.000 1.010 111 I CA -0.828 60.466 61.300 -0.011 0.000 1.308 111 I CB 0.766 38.724 38.000 -0.070 0.000 1.400 111 I HN 0.568 nan 8.210 nan 0.000 0.488 112 N N 8.183 126.809 118.700 -0.122 0.000 2.511 112 N HA 0.390 5.129 4.740 -0.001 0.000 0.249 112 N C -0.603 174.744 175.510 -0.271 0.000 0.971 112 N CA -0.448 52.503 53.050 -0.165 0.000 0.938 112 N CB 1.863 40.279 38.487 -0.118 0.000 1.131 112 N HN 0.429 nan 8.380 nan 0.000 0.505 113 L N 0.750 121.724 121.223 -0.414 0.000 2.426 113 L HA 0.122 4.461 4.340 -0.001 0.000 0.271 113 L C 1.155 177.829 176.870 -0.327 0.000 1.169 113 L CA -0.370 53.986 54.840 -0.806 0.000 0.836 113 L CB 0.531 41.731 42.059 -1.432 0.000 1.112 113 L HN 0.350 nan 8.230 nan 0.000 0.465 114 D N 1.901 122.302 120.400 0.002 0.000 2.525 114 D HA -0.154 4.485 4.640 -0.001 0.000 0.235 114 D C 0.670 177.139 176.300 0.282 0.000 1.137 114 D CA 0.286 54.422 54.000 0.226 0.000 0.868 114 D CB 0.954 41.940 40.800 0.311 0.000 1.180 114 D HN 0.548 nan 8.370 nan 0.000 0.465 115 D N 3.081 123.546 120.400 0.107 0.000 2.144 115 D HA -0.120 4.520 4.640 -0.001 0.000 0.200 115 D C 1.568 177.882 176.300 0.024 0.000 0.978 115 D CA 0.749 54.782 54.000 0.055 0.000 0.833 115 D CB 0.258 41.064 40.800 0.010 0.000 0.961 115 D HN 0.482 nan 8.370 nan 0.000 0.470 116 R N -0.108 120.406 120.500 0.023 0.000 2.328 116 R HA 0.057 4.396 4.340 -0.001 0.000 0.207 116 R C 0.451 176.693 176.300 -0.096 0.000 1.056 116 R CA 0.271 56.351 56.100 -0.033 0.000 1.016 116 R CB 0.193 30.484 30.300 -0.016 0.000 0.872 116 R HN -0.064 nan 8.270 nan 0.000 0.471 117 S N -0.335 115.311 115.700 -0.090 0.000 2.570 117 S HA 0.308 4.777 4.470 -0.001 0.000 0.286 117 S C -0.900 173.560 174.600 -0.234 0.000 1.099 117 S CA -0.865 57.190 58.200 -0.243 0.000 0.913 117 S CB 1.908 64.853 63.200 -0.425 0.000 1.085 117 S HN 0.144 nan 8.310 nan 0.000 0.480 118 H N 0.759 119.756 119.070 -0.122 0.000 2.690 118 H HA 0.194 4.749 4.556 -0.001 0.000 0.314 118 H C -0.924 174.349 175.328 -0.093 0.000 1.069 118 H CA 0.146 56.181 56.048 -0.022 0.000 1.436 118 H CB 0.427 30.170 29.762 -0.030 0.000 1.462 118 H HN 0.513 nan 8.280 nan 0.000 0.511 119 W N 1.309 122.650 121.300 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 0.014 0.000 1.171 119 W CA -0.453 56.906 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 0.654 nan 8.180 nan 0.000 0.643 120 G N -0.551 108.422 108.800 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 -1.480 173.502 174.900 0.136 0.000 1.399 120 G CA -0.695 44.493 45.100 0.146 0.000 0.890 120 G HN 0.706 nan 8.290 nan 0.000 0.485 121 G N -0.312 108.524 108.800 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 -1.588 173.309 174.900 -0.005 0.000 1.336 121 G CA -0.623 44.491 45.100 0.025 0.000 0.953 121 G HN 0.398 nan 8.290 nan 0.000 0.482 122 D N 0.595 120.985 120.400 -0.018 0.000 2.232 122 D HA 0.303 4.942 4.640 -0.001 0.000 0.242 122 D C -0.569 175.702 176.300 -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 43.433 40.800 -0.024 0.000 1.124 122 D HN 0.183 nan 8.370 nan 0.000 0.467 123 L N 2.839 124.037 121.223 -0.042 0.000 2.277 123 L HA 0.299 4.639 4.340 -0.001 0.000 0.284 123 L C -0.472 176.377 176.870 -0.035 0.000 1.028 123 L CA -0.305 54.499 54.840 -0.061 0.000 0.835 123 L CB 0.394 42.401 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 -0.607 175.935 176.600 -0.097 0.000 0.950 124 K CA -0.711 55.529 56.287 -0.079 0.000 0.849 124 K CB 2.043 34.508 32.500 -0.059 0.000 1.100 124 K HN 0.577 nan 8.250 nan 0.000 0.434 125 T N 1.479 115.969 114.554 -0.106 0.000 2.900 125 T HA 0.547 4.896 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 -0.434 0.000 1.156 125 T HN 0.429 nan 8.240 nan 0.000 0.490 126 I N 4.237 124.882 120.570 0.125 0.000 2.420 126 I HA 0.449 4.619 4.170 -0.001 0.000 0.282 126 I C -1.092 175.183 176.117 0.264 0.000 1.019 126 I CA -0.873 60.519 61.300 0.155 0.000 1.130 126 I CB 1.550 39.602 38.000 0.087 0.000 1.262 126 I HN 0.358 nan 8.210 nan 0.000 0.454 127 L N 7.124 128.533 121.223 0.310 0.000 2.329 127 L HA 0.576 4.916 4.340 -0.001 0.000 0.279 127 L C -1.085 175.941 176.870 0.261 0.000 1.014 127 L CA -0.219 54.810 54.840 0.316 0.000 0.814 127 L CB 1.240 43.525 42.059 0.376 0.000 1.257 127 L HN 0.479 nan 8.230 nan 0.000 0.424 128 H N 2.215 121.335 119.070 0.083 0.000 3.018 128 H HA 0.635 5.190 4.556 -0.001 0.000 0.334 128 H C -0.618 174.776 175.328 0.110 0.000 0.983 128 H CA 0.110 56.211 56.048 0.088 0.000 1.363 128 H CB 1.244 31.074 29.762 0.112 0.000 1.668 128 H HN 0.838 nan 8.280 nan 0.000 0.513 129 T N 1.070 115.448 114.554 -0.293 0.000 2.780 129 T HA 0.361 4.710 4.350 -0.001 0.000 0.263 129 T C 0.238 174.726 174.700 -0.354 0.000 0.993 129 T CA -0.380 61.587 62.100 -0.221 0.000 1.010 129 T CB 0.954 69.775 68.868 -0.078 0.000 1.642 129 T HN 0.673 nan 8.240 nan 0.000 0.587 130 N N -1.437 117.175 118.700 -0.147 0.000 2.405 130 N HA 0.021 4.761 4.740 -0.001 0.000 0.221 130 N C -0.452 175.015 175.510 -0.070 0.000 1.386 130 N CA -0.434 52.541 53.050 -0.126 0.000 1.332 130 N CB -1.175 37.245 38.487 -0.111 0.000 1.256 130 N HN 0.800 nan 8.380 nan 0.000 0.587 131 M N 1.313 120.829 119.600 -0.140 0.000 2.249 131 M HA 0.287 4.766 4.480 -0.001 0.000 0.340 131 M C -2.326 173.732 176.300 -0.403 0.000 1.166 131 M CA -0.406 54.591 55.300 -0.505 0.000 1.115 131 M CB 0.662 32.927 32.600 -0.559 0.000 1.606 131 M HN -0.034 nan 8.290 nan 0.000 0.448 132 P HA 0.285 nan 4.420 nan 0.000 0.280 132 P C -0.457 176.666 177.300 -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 0.411 118.959 118.700 -0.253 0.000 1.997 133 N HA -0.118 4.621 4.740 -0.001 0.000 0.198 133 N C 0.036 175.441 175.510 -0.175 0.000 1.063 133 N CA 1.608 54.542 53.050 -0.194 0.000 0.860 133 N CB -0.754 37.615 38.487 -0.196 0.000 1.063 133 N HN 0.289 nan 8.380 nan 0.000 0.424 134 V N -0.712 119.064 119.914 -0.229 0.000 2.532 134 V HA 0.712 4.831 4.120 -0.001 0.000 0.295 134 V C -0.649 175.381 176.094 -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 0.884 119.569 118.700 -0.024 0.000 3.545 135 N HA 0.189 4.928 4.740 -0.001 0.000 0.227 135 N C -1.280 174.257 175.510 0.044 0.000 1.380 135 N CA -0.467 52.590 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 0.664 120.898 120.200 0.058 0.000 1.996 136 E HA 0.416 4.766 4.350 -0.001 0.000 0.280 136 E C -1.113 175.512 176.600 0.042 0.000 1.092 136 E CA -0.325 56.066 56.400 -0.014 0.000 0.862 136 E CB 0.052 29.753 29.700 0.003 0.000 1.066 136 E HN 0.611 nan 8.360 nan 0.000 0.396 137 F N 3.463 123.197 119.950 -0.361 0.000 1.649 137 F HA -0.071 4.455 4.527 -0.001 0.000 0.334 137 F C 0.118 175.682 175.800 -0.394 0.000 1.185 137 F CA -0.084 57.720 58.000 -0.326 0.000 1.231 137 F CB -0.083 38.924 39.000 0.011 0.000 1.896 137 F HN 0.421 nan 8.300 nan 0.000 0.163 138 M N 1.311 120.921 119.600 0.016 0.000 2.495 138 M HA 0.294 4.774 4.480 -0.001 0.000 0.237 138 M C -0.360 176.109 176.300 0.282 0.000 1.131 138 M CA 0.265 55.649 55.300 0.139 0.000 1.032 138 M CB -1.502 31.186 32.600 0.147 0.000 1.513 138 M HN 0.318 nan 8.290 nan 0.000 0.488 139 F N 0.735 120.722 119.950 0.061 0.000 2.807 139 F HA -0.242 4.285 4.527 -0.001 0.000 0.297 139 F C 0.867 176.728 175.800 0.103 0.000 1.024 139 F CA 0.907 58.954 58.000 0.079 0.000 1.008 139 F CB -2.644 36.397 39.000 0.069 0.000 1.142 139 F HN 0.287 nan 8.300 nan 0.000 0.829 140 T N -3.974 110.698 114.554 0.198 0.000 3.275 140 T HA 0.182 4.531 4.350 -0.001 0.000 0.298 140 T C 0.864 175.668 174.700 0.174 0.000 0.988 140 T CA 0.256 62.458 62.100 0.170 0.000 0.936 140 T CB 0.106 69.029 68.868 0.091 0.000 1.159 140 T HN 0.484 nan 8.240 nan 0.000 0.519 141 N N 0.794 119.606 118.700 0.187 0.000 2.197 141 N HA 0.212 4.952 4.740 -0.001 0.000 0.228 141 N C -0.300 175.352 175.510 0.238 0.000 1.212 141 N CA -0.493 52.675 53.050 0.197 0.000 0.883 141 N CB 0.646 39.215 38.487 0.136 0.000 1.107 141 N HN 0.340 nan 8.380 nan 0.000 0.519 142 K N 0.429 121.000 120.400 0.285 0.000 2.482 142 K HA 0.510 4.830 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 -0.790 55.658 56.287 0.268 0.000 0.842 142 K CB 2.300 34.915 32.500 0.191 0.000 1.359 142 K HN 0.114 nan 8.250 nan 0.000 0.441 143 F N -1.178 118.870 119.950 0.164 0.000 2.656 143 F HA 0.357 4.884 4.527 -0.001 0.000 0.326 143 F C -1.663 174.199 175.800 0.103 0.000 1.109 143 F CA -1.049 56.994 58.000 0.072 0.000 1.086 143 F CB 0.791 39.797 39.000 0.011 0.000 1.324 143 F HN 0.195 nan 8.300 nan 0.000 0.511 144 K N 3.290 123.717 120.400 0.045 0.000 2.205 144 K HA 0.846 5.166 4.320 -0.001 0.000 0.279 144 K C -0.521 176.243 176.600 0.274 0.000 1.027 144 K CA -0.488 55.829 56.287 0.051 0.000 0.932 144 K CB 1.696 34.217 32.500 0.035 0.000 1.032 144 K HN 0.878 nan 8.250 nan 0.000 0.466 145 A N 2.794 125.834 122.820 0.366 0.000 2.539 145 A HA 0.544 4.864 4.320 -0.001 0.000 0.296 145 A C -1.272 176.420 177.584 0.179 0.000 1.073 145 A CA -0.835 51.454 52.037 0.420 0.000 0.700 145 A CB 1.461 20.793 19.000 0.553 0.000 1.296 145 A HN 0.787 nan 8.150 nan 0.000 0.405 146 R N 0.889 121.194 120.500 -0.326 0.000 2.295 146 R HA 0.635 4.974 4.340 -0.001 0.000 0.324 146 R C -0.745 175.293 176.300 -0.435 0.000 0.968 146 R CA -0.297 55.334 56.100 -0.783 0.000 0.837 146 R CB 1.006 30.194 30.300 -1.854 0.000 1.133 146 R HN 1.001 nan 8.270 nan 0.000 0.450 147 V N 1.263 121.033 119.914 -0.240 0.000 3.155 147 V HA 0.561 4.680 4.120 -0.001 0.000 0.313 147 V C -0.052 176.111 176.094 0.115 0.000 1.162 147 V CA -1.395 60.847 62.300 -0.096 0.000 1.048 147 V CB 1.877 33.710 31.823 0.016 0.000 1.092 147 V HN 0.859 nan 8.190 nan 0.000 0.447 148 M N 1.170 120.916 119.600 0.244 0.000 2.217 148 M HA 0.443 4.923 4.480 -0.001 0.000 0.354 148 M C 0.070 176.531 176.300 0.268 0.000 1.225 148 M CA 0.122 55.678 55.300 0.426 0.000 1.137 148 M CB 1.467 34.283 32.600 0.361 0.000 1.576 148 M HN 0.749 nan 8.290 nan 0.000 0.461 149 V N 2.952 122.970 119.914 0.173 0.000 3.451 149 V HA 0.332 4.452 4.120 -0.001 0.000 0.288 149 V C -0.413 175.715 176.094 0.057 0.000 1.502 149 V CA 0.619 63.011 62.300 0.155 0.000 1.026 149 V CB 1.019 32.934 31.823 0.153 0.000 0.840 149 V HN 0.875 nan 8.190 nan 0.000 0.437 150 S N 0.663 116.362 115.700 -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 64.798 63.200 -0.044 0.000 1.108 150 S HN 0.431 nan 8.310 nan 0.000 0.459 151 R N 2.568 123.045 120.500 -0.037 0.000 2.539 151 R HA 0.563 4.902 4.340 -0.001 0.000 0.295 151 R C -1.461 174.823 176.300 -0.026 0.000 1.138 151 R CA -0.148 55.928 56.100 -0.041 0.000 0.936 151 R CB 1.089 31.384 30.300 -0.010 0.000 1.182 151 R HN 0.799 nan 8.270 nan 0.000 0.459 152 S N 3.235 118.914 115.700 -0.035 0.000 2.546 152 S HA 0.380 4.850 4.470 -0.001 0.000 0.274 152 S C -0.490 174.096 174.600 -0.023 0.000 1.121 152 S CA -0.934 57.252 58.200 -0.024 0.000 0.887 152 S CB 1.688 64.874 63.200 -0.024 0.000 1.094 152 S HN 0.555 nan 8.310 nan 0.000 0.474 153 L N 3.292 124.506 121.223 -0.015 0.000 2.536 153 L HA 0.210 4.549 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 3.318 117.862 114.554 -0.016 0.000 2.854 154 T HA -0.125 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 -0.040 62.051 62.100 -0.015 0.000 1.118 154 T CB 0.509 69.367 68.868 -0.016 0.000 1.025 154 T HN 0.580 nan 8.240 nan 0.000 0.549 155 K N 1.158 121.553 120.400 -0.009 0.000 2.184 155 K HA -0.243 4.077 4.320 -0.001 0.000 0.210 155 K C 1.335 177.933 176.600 -0.005 0.000 1.048 155 K CA 2.057 58.340 56.287 -0.006 0.000 0.931 155 K CB -0.099 32.397 32.500 -0.006 0.000 0.718 155 K HN 0.549 nan 8.250 nan 0.000 0.465 156 D N -0.696 119.701 120.400 -0.004 0.000 2.394 156 D HA 0.045 4.685 4.640 -0.001 0.000 0.237 156 D C 1.231 177.529 176.300 -0.003 0.000 1.028 156 D CA 0.954 54.952 54.000 -0.003 0.000 0.937 156 D CB 0.272 41.071 40.800 -0.002 0.000 1.072 156 D HN 0.064 nan 8.370 nan 0.000 0.457 157 K N -1.377 119.021 120.400 -0.003 0.000 2.191 157 K HA 0.094 4.414 4.320 -0.001 0.000 0.154 157 K C 0.037 176.636 176.600 -0.003 0.000 1.928 157 K CA -0.039 56.247 56.287 -0.003 0.000 1.002 157 K CB 1.074 33.573 32.500 -0.001 0.000 1.876 157 K HN -0.014 nan 8.250 nan 0.000 0.477 158 Q N 1.060 120.858 119.800 -0.004 0.000 2.237 158 Q HA 0.424 4.764 4.340 -0.001 0.000 0.219 158 Q C -0.069 175.926 176.000 -0.009 0.000 0.999 158 Q CA -0.529 55.272 55.803 -0.004 0.000 0.959 158 Q CB 1.773 30.509 28.738 -0.003 0.000 1.173 158 Q HN 0.071 nan 8.270 nan 0.000 0.527 159 V N -2.693 117.214 119.914 -0.012 0.000 3.113 159 V HA 0.623 4.743 4.120 -0.001 0.000 0.316 159 V C -1.053 175.022 176.094 -0.032 0.000 1.125 159 V CA -0.785 61.503 62.300 -0.020 0.000 1.026 159 V CB 2.007 33.819 31.823 -0.019 0.000 1.080 159 V HN 0.842 nan 8.190 nan 0.000 0.444 160 E N 1.203 121.376 120.200 -0.046 0.000 2.234 160 E HA 0.652 5.001 4.350 -0.001 0.000 0.266 160 E C -1.800 174.731 176.600 -0.115 0.000 0.877 160 E CA -0.778 55.581 56.400 -0.069 0.000 0.758 160 E CB 2.001 31.667 29.700 -0.058 0.000 1.170 160 E HN 0.813 nan 8.360 nan 0.000 0.415 161 L N 4.512 125.628 121.223 -0.178 0.000 2.372 161 L HA 0.488 4.828 4.340 -0.001 0.000 0.273 161 L C -0.519 176.063 176.870 -0.480 0.000 0.989 161 L CA -0.655 53.977 54.840 -0.346 0.000 0.841 161 L CB 1.578 43.417 42.059 -0.366 0.000 1.225 161 L HN 0.345 nan 8.230 nan 0.000 0.414 162 K N 3.179 123.313 120.400 -0.444 0.000 2.221 162 K HA 0.609 4.928 4.320 -0.001 0.000 0.258 162 K C -1.432 174.934 176.600 -0.390 0.000 0.944 162 K CA -0.632 55.456 56.287 -0.332 0.000 0.823 162 K CB 2.360 34.778 32.500 -0.137 0.000 1.113 162 K HN 0.302 nan 8.250 nan 0.000 0.431 163 Y N 0.399 120.670 120.300 -0.048 0.000 2.587 163 Y HA 0.420 4.969 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 -0.826 57.218 58.100 -0.093 0.000 1.126 163 Y CB 2.398 40.764 38.460 -0.156 0.000 1.279 163 Y HN 0.576 nan 8.280 nan 0.000 0.489 164 E N 0.348 120.570 120.200 0.036 0.000 2.407 164 E HA 0.282 4.632 4.350 -0.001 0.000 0.279 164 E C -2.249 174.272 176.600 -0.131 0.000 1.012 164 E CA -0.776 55.615 56.400 -0.014 0.000 0.800 164 E CB 1.386 31.123 29.700 0.062 0.000 1.276 164 E HN 0.562 nan 8.360 nan 0.000 0.452 165 W N 2.781 124.067 121.300 -0.023 0.000 2.351 165 W HA 0.475 5.135 4.660 -0.001 0.000 0.311 165 W C -0.428 175.991 176.519 -0.167 0.000 1.168 165 W CA -0.326 56.971 57.345 -0.081 0.000 1.200 165 W CB 1.459 30.885 29.460 -0.056 0.000 1.221 165 W HN 0.289 nan 8.180 nan 0.000 0.519 166 V N -0.040 119.817 119.914 -0.094 0.000 2.876 166 V HA 0.521 4.641 4.120 -0.001 0.000 0.312 166 V C -0.848 174.860 176.094 -0.644 0.000 1.085 166 V CA -1.568 60.488 62.300 -0.406 0.000 0.945 166 V CB 1.765 33.181 31.823 -0.679 0.000 1.017 166 V HN 0.570 nan 8.190 nan 0.000 0.428 167 E N 2.096 121.973 120.200 -0.538 0.000 2.134 167 E HA 0.598 4.948 4.350 -0.001 0.000 0.278 167 E C -1.700 174.567 176.600 -0.556 0.000 0.959 167 E CA -0.583 55.544 56.400 -0.454 0.000 0.783 167 E CB 1.059 30.645 29.700 -0.189 0.000 1.095 167 E HN 0.616 nan 8.360 nan 0.000 0.399 168 F N 2.036 121.747 119.950 -0.398 0.000 2.450 168 F HA 0.384 4.910 4.527 -0.001 0.000 0.332 168 F C 0.592 176.277 175.800 -0.191 0.000 1.093 168 F CA -0.746 57.076 58.000 -0.297 0.000 1.003 168 F CB 1.961 40.716 39.000 -0.409 0.000 1.151 168 F HN 0.274 nan 8.300 nan 0.000 0.474 169 T N 0.922 115.575 114.554 0.165 0.000 2.863 169 T HA 0.778 5.127 4.350 -0.001 0.000 0.285 169 T C -0.691 174.131 174.700 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 2.722 124.080 121.223 0.225 0.000 2.399 170 L HA 0.557 4.897 4.340 -0.001 0.000 0.265 170 L C -1.849 175.142 176.870 0.202 0.000 1.089 170 L CA -2.494 52.483 54.840 0.230 0.000 0.802 170 L CB 0.823 43.051 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 -0.337 62.876 63.100 0.188 0.000 0.773 171 P CB 0.834 32.641 31.700 0.177 0.000 0.879 172 E N 1.114 121.395 120.200 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 0.684 57.123 56.400 0.065 0.000 0.928 172 E CB 0.263 29.990 29.700 0.044 0.000 0.937 172 E HN 0.755 nan 8.360 nan 0.000 0.446 173 G N 2.119 110.779 108.800 -0.233 0.000 2.316 173 G HA2 0.034 3.994 3.960 -0.001 0.000 0.296 173 G HA3 0.034 3.994 3.960 -0.001 0.000 0.296 173 G C -1.627 172.771 174.900 -0.835 0.000 1.399 173 G CA -0.968 43.888 45.100 -0.406 0.000 0.833 173 G HN 0.445 nan 8.290 nan 0.000 0.565 174 N N -0.082 118.271 118.700 -0.578 0.000 2.437 174 N HA 0.660 5.400 4.740 -0.001 0.000 0.259 174 N C -0.958 174.327 175.510 -0.374 0.000 0.983 174 N CA -0.335 52.439 53.050 -0.461 0.000 0.937 174 N CB 0.436 38.797 38.487 -0.210 0.000 1.122 174 N HN 0.384 nan 8.380 nan 0.000 0.499 175 Y N 0.098 120.376 120.300 -0.037 0.000 2.772 175 Y HA 0.534 5.083 4.550 -0.001 0.000 0.324 175 Y C 1.035 176.904 175.900 -0.052 0.000 1.169 175 Y CA -1.245 56.829 58.100 -0.043 0.000 1.198 175 Y CB 0.255 38.689 38.460 -0.043 0.000 1.402 175 Y HN 0.283 nan 8.280 nan 0.000 0.577 176 S N -0.269 115.528 115.700 0.162 0.000 2.730 176 S HA 0.122 4.592 4.470 -0.001 0.000 0.284 176 S C 1.202 175.813 174.600 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 0.458 120.649 120.200 -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 1.740 58.111 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 -0.899 113.601 114.554 -0.090 0.000 2.815 178 T HA -0.064 4.286 4.350 -0.001 0.000 0.244 178 T C 2.096 176.689 174.700 -0.178 0.000 1.040 178 T CA 0.736 62.759 62.100 -0.128 0.000 1.176 178 T CB -0.581 68.216 68.868 -0.118 0.000 0.880 178 T HN 0.085 nan 8.240 nan 0.000 0.414 179 M N 1.538 121.021 119.600 -0.194 0.000 2.327 179 M HA -0.193 4.287 4.480 -0.001 0.000 0.258 179 M C 2.004 178.106 176.300 -0.330 0.000 1.079 179 M CA 1.716 56.832 55.300 -0.307 0.000 1.056 179 M CB -0.774 31.677 32.600 -0.248 0.000 1.387 179 M HN 0.455 nan 8.290 nan 0.000 0.423 180 T N 0.842 115.282 114.554 -0.189 0.000 2.668 180 T HA -0.113 4.236 4.350 -0.001 0.000 0.262 180 T C 1.637 176.226 174.700 -0.185 0.000 1.045 180 T CA 1.551 63.574 62.100 -0.129 0.000 1.152 180 T CB -0.275 68.592 68.868 -0.001 0.000 0.864 180 T HN 0.381 nan 8.240 nan 0.000 0.419 181 I N 1.612 122.061 120.570 -0.202 0.000 2.074 181 I HA -0.332 3.838 4.170 -0.001 0.000 0.238 181 I C 2.354 178.370 176.117 -0.168 0.000 1.037 181 I CA 1.797 62.964 61.300 -0.221 0.000 1.301 181 I CB -0.624 37.278 38.000 -0.163 0.000 1.016 181 I HN 0.209 nan 8.210 nan 0.000 0.400 182 D N 0.688 120.951 120.400 -0.228 0.000 2.154 182 D HA -0.220 4.420 4.640 -0.001 0.000 0.190 182 D C 2.135 178.362 176.300 -0.121 0.000 1.003 182 D CA 1.181 55.001 54.000 -0.300 0.000 0.849 182 D CB -0.458 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 -0.029 121.101 121.223 -0.155 0.000 2.081 183 L HA -0.168 4.172 4.340 -0.001 0.000 0.212 183 L C 2.265 179.193 176.870 0.097 0.000 1.080 183 L CA 1.496 56.340 54.840 0.006 0.000 0.754 183 L CB -0.774 41.206 42.059 -0.133 0.000 0.893 183 L HN 0.234 nan 8.230 nan 0.000 0.433 184 M N -1.230 118.396 119.600 0.043 0.000 2.098 184 M HA -0.176 4.303 4.480 -0.001 0.000 0.262 184 M C 1.968 178.398 176.300 0.217 0.000 1.072 184 M CA 1.332 56.707 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 0.920 119.747 118.700 0.211 0.000 2.069 185 N HA -0.192 4.547 4.740 -0.001 0.000 0.191 185 N C 1.435 177.047 175.510 0.170 0.000 1.031 185 N CA 1.744 54.916 53.050 0.202 0.000 0.852 185 N CB -0.738 37.854 38.487 0.177 0.000 1.018 185 N HN 0.375 nan 8.380 nan 0.000 0.423 186 N N 1.086 119.920 118.700 0.223 0.000 2.043 186 N HA -0.133 4.607 4.740 -0.001 0.000 0.193 186 N C 1.514 177.123 175.510 0.164 0.000 1.037 186 N CA 1.970 55.159 53.050 0.231 0.000 0.851 186 N CB -0.428 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 0.106 123.014 122.820 0.146 0.000 2.076 187 A HA -0.091 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 1.033 53.140 52.037 0.116 0.000 0.653 187 A CB -0.618 18.481 19.000 0.165 0.000 0.801 187 A HN 0.413 nan 8.150 nan 0.000 0.455 188 I N -0.736 119.725 120.570 -0.182 0.000 2.277 188 I HA -0.122 4.048 4.170 -0.001 0.000 0.243 188 I C 2.527 178.700 176.117 0.095 0.000 1.094 188 I CA 0.929 62.033 61.300 -0.327 0.000 1.393 188 I CB -1.289 36.577 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 3.827 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 1.881 64.347 62.300 0.277 0.000 1.010 189 V CB -0.699 31.286 31.823 0.269 0.000 0.637 189 V HN 0.381 nan 8.190 nan 0.000 0.444 190 E N -0.993 119.357 120.200 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 1.617 58.147 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 -0.839 118.384 119.070 0.256 0.000 2.384 191 H HA -0.135 4.421 4.556 -0.001 0.000 0.300 191 H C 1.928 177.392 175.328 0.228 0.000 1.057 191 H CA 1.454 57.663 56.048 0.269 0.000 1.370 191 H CB -0.374 29.669 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 0.301 0.000 2.298 192 Y HA -0.224 4.326 4.550 -0.001 0.000 0.287 192 Y C 2.237 178.170 175.900 0.054 0.000 1.164 192 Y CA 1.579 59.791 58.100 0.187 0.000 1.229 192 Y CB -0.495 38.085 38.460 0.200 0.000 0.977 192 Y HN 0.158 nan 8.280 nan 0.000 0.538 193 L N 0.209 121.400 121.223 -0.054 0.000 2.034 193 L HA -0.158 4.182 4.340 -0.001 0.000 0.203 193 L C 2.517 179.271 176.870 -0.195 0.000 1.074 193 L CA 1.736 56.468 54.840 -0.180 0.000 0.748 193 L CB -0.830 41.224 42.059 -0.009 0.000 0.905 193 L HN 0.039 nan 8.230 nan 0.000 0.439 194 K N -0.250 120.067 120.400 -0.138 0.000 2.360 194 K HA -0.131 4.189 4.320 -0.001 0.000 0.201 194 K C 1.243 177.716 176.600 -0.212 0.000 1.046 194 K CA 1.022 57.221 56.287 -0.146 0.000 0.940 194 K CB 0.317 32.754 32.500 -0.105 0.000 0.748 194 K HN 0.172 nan 8.250 nan 0.000 0.465 195 V N -2.160 117.568 119.914 -0.309 0.000 4.454 195 V HA 0.079 4.199 4.120 -0.001 0.000 0.159 195 V C 1.851 177.812 176.094 -0.221 0.000 1.262 195 V CA 0.551 62.689 62.300 -0.271 0.000 1.223 195 V CB -0.664 30.948 31.823 -0.353 0.000 1.452 195 V HN 0.370 nan 8.190 nan 0.000 0.595 196 G N 2.527 111.222 108.800 -0.176 0.000 2.907 196 G HA2 -0.433 3.526 3.960 -0.001 0.000 0.235 196 G HA3 -0.433 3.526 3.960 -0.001 0.000 0.235 196 G C 1.463 176.259 174.900 -0.174 0.000 1.198 196 G CA 2.766 47.845 45.100 -0.035 0.000 0.766 196 G HN 0.698 nan 8.290 nan 0.000 0.763 197 R N 0.107 120.229 120.500 -0.629 0.000 2.162 197 R HA -0.233 4.106 4.340 -0.001 0.000 0.245 197 R C 2.049 178.252 176.300 -0.162 0.000 1.129 197 R CA 2.175 58.042 56.100 -0.388 0.000 0.940 197 R CB -1.123 28.807 30.300 -0.616 0.000 0.875 197 R HN 0.554 nan 8.270 nan 0.000 0.437 198 Q N 1.244 120.929 119.800 -0.193 0.000 2.271 198 Q HA 0.097 4.436 4.340 -0.001 0.000 0.206 198 Q C -0.394 175.562 176.000 -0.073 0.000 0.860 198 Q CA 0.170 55.908 55.803 -0.109 0.000 0.991 198 Q CB -0.162 28.508 28.738 -0.115 0.000 1.232 198 Q HN 0.422 nan 8.270 nan 0.000 0.410 199 N N -0.629 118.040 118.700 -0.051 0.000 2.628 199 N HA 0.045 4.784 4.740 -0.001 0.000 0.235 199 N C -0.090 175.418 175.510 -0.004 0.000 1.390 199 N CA 0.569 53.603 53.050 -0.027 0.000 1.380 199 N CB 1.139 39.608 38.487 -0.030 0.000 1.444 199 N HN 0.439 nan 8.380 nan 0.000 0.573 200 G N 0.130 108.934 108.800 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 0.041 174.979 174.900 0.063 0.000 0.986 200 G CA 0.629 45.745 45.100 0.027 0.000 0.683 200 G HN 0.215 nan 8.290 nan 0.000 0.527 201 V N 1.564 121.540 119.914 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 -0.511 61.907 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 4.804 126.153 121.223 0.210 0.000 2.307 202 L HA 0.403 4.742 4.340 -0.001 0.000 0.282 202 L C 1.723 178.636 176.870 0.073 0.000 1.051 202 L CA -0.477 54.475 54.840 0.188 0.000 0.804 202 L CB 1.295 43.423 42.059 0.115 0.000 1.197 202 L HN 0.774 nan 8.230 nan 0.000 0.431 203 E N 0.544 120.743 120.200 -0.001 0.000 2.208 203 E HA -0.261 4.089 4.350 -0.001 0.000 0.202 203 E C 1.380 177.871 176.600 -0.181 0.000 1.014 203 E CA 1.722 57.959 56.400 -0.272 0.000 0.819 203 E CB -0.289 29.397 29.700 -0.023 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 0.217 174.827 174.600 0.015 0.000 0.977 204 S CA 1.431 59.641 58.200 0.017 0.000 0.958 204 S CB -0.281 62.952 63.200 0.054 0.000 0.751 204 S HN 0.564 nan 8.310 nan 0.000 0.534 205 D N -1.019 119.373 120.400 -0.013 0.000 2.740 205 D HA 0.150 4.789 4.640 -0.001 0.000 0.305 205 D C -0.214 176.077 176.300 -0.017 0.000 1.583 205 D CA -0.437 53.576 54.000 0.022 0.000 0.790 205 D CB -0.823 40.005 40.800 0.047 0.000 1.187 205 D HN 0.232 nan 8.370 nan 0.000 0.447 206 I N 1.354 121.844 120.570 -0.133 0.000 2.587 206 I HA 0.207 4.376 4.170 -0.001 0.000 0.284 206 I C 1.905 177.916 176.117 -0.176 0.000 1.134 206 I CA 0.180 61.374 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 6.621 115.333 108.800 -0.146 0.000 2.422 207 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.218 207 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.218 207 G C 0.605 175.320 174.900 -0.309 0.000 1.146 207 G CA 0.857 45.819 45.100 -0.229 0.000 0.769 207 G HN 0.555 nan 8.290 nan 0.000 0.547 208 V N -2.843 116.883 119.914 -0.313 0.000 2.656 208 V HA 0.835 4.954 4.120 -0.001 0.000 0.307 208 V C -0.842 174.961 176.094 -0.485 0.000 1.051 208 V CA -1.386 60.666 62.300 -0.412 0.000 0.893 208 V CB 1.999 33.578 31.823 -0.406 0.000 0.999 208 V HN 0.149 nan 8.190 nan 0.000 0.426 209 K N 3.698 123.749 120.400 -0.582 0.000 2.525 209 K HA 0.627 4.947 4.320 -0.001 0.000 0.254 209 K C -2.115 174.186 176.600 -0.497 0.000 0.934 209 K CA -0.656 55.344 56.287 -0.477 0.000 0.802 209 K CB 2.285 34.569 32.500 -0.359 0.000 1.295 209 K HN 0.705 nan 8.250 nan 0.000 0.433 210 F N 3.527 123.431 119.950 -0.076 0.000 2.361 210 F HA 0.258 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 -0.433 57.534 58.000 -0.054 0.000 1.071 210 F CB 1.175 40.121 39.000 -0.091 0.000 1.188 210 F HN 0.580 nan 8.300 nan 0.000 0.464 211 D N 1.114 121.617 120.400 0.170 0.000 2.568 211 D HA 0.360 5.000 4.640 -0.001 0.000 0.219 211 D C 0.407 176.767 176.300 0.100 0.000 1.239 211 D CA 0.126 54.209 54.000 0.139 0.000 1.096 211 D CB 1.944 42.884 40.800 0.234 0.000 1.198 211 D HN 0.504 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 0.158 4.508 4.350 -0.001 0.000 0.320 212 T C -0.000 174.663 174.700 -0.061 0.000 0.880 212 T CA -0.560 61.538 62.100 -0.004 0.000 0.813 212 T CB -0.248 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 0.734 121.139 120.500 -0.158 0.000 2.873 213 R HA 0.568 4.907 4.340 -0.001 0.000 0.264 213 R C -0.679 175.426 176.300 -0.326 0.000 1.026 213 R CA -0.884 55.087 56.100 -0.215 0.000 1.002 213 R CB 0.866 30.948 30.300 -0.364 0.000 1.174 213 R HN 0.186 nan 8.270 nan 0.000 0.488 214 N N 1.250 119.807 118.700 -0.239 0.000 2.508 214 N HA 0.068 4.808 4.740 -0.001 0.000 0.253 214 N C -0.737 174.711 175.510 -0.104 0.000 1.145 214 N CA -0.458 52.504 53.050 -0.147 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 3.131 123.097 119.950 0.028 0.000 2.646 215 F HA -0.018 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 0.270 58.244 58.000 -0.043 0.000 1.431 215 F CB -0.237 38.620 39.000 -0.239 0.000 1.297 215 F HN 0.591 nan 8.300 nan 0.000 0.556 216 R N -1.539 119.065 120.500 0.172 0.000 2.418 216 R HA 0.129 4.469 4.340 -0.001 0.000 0.218 216 R C -0.602 175.731 176.300 0.055 0.000 1.151 216 R CA -0.099 56.074 56.100 0.122 0.000 1.221 216 R CB -0.932 29.296 30.300 -0.121 0.000 1.366 216 R HN 0.393 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 0.262 4.602 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 1.541 56.416 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 -0.132 108.743 108.800 0.126 0.000 2.498 218 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 218 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 218 G C 0.663 175.631 174.900 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 1.745 121.706 119.950 0.019 0.000 2.594 219 F HA 0.008 4.534 4.527 -0.001 0.000 0.384 219 F C 0.300 176.096 175.800 -0.006 0.000 1.060 219 F CA 0.038 58.048 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 8.765 128.755 120.400 -0.684 0.000 2.381 220 D HA 0.204 4.843 4.640 -0.001 0.000 0.235 220 D C -1.643 174.283 176.300 -0.623 0.000 1.068 220 D CA -1.975 51.763 54.000 -0.436 0.000 0.832 220 D CB 1.977 42.584 40.800 -0.323 0.000 1.101 220 D HN 0.259 nan 8.370 nan 0.000 0.515 221 P HA -0.209 nan 4.420 nan 0.000 0.218 221 P C 1.260 178.557 177.300 -0.005 0.000 1.150 221 P CA 0.862 64.042 63.100 0.133 0.000 0.841 221 P CB 0.688 32.466 31.700 0.130 0.000 0.784 222 V N -0.208 119.643 119.914 -0.105 0.000 2.690 222 V HA -0.055 4.065 4.120 -0.001 0.000 0.240 222 V C 2.710 178.718 176.094 -0.144 0.000 1.078 222 V CA 2.268 64.515 62.300 -0.089 0.000 1.102 222 V CB -1.037 30.750 31.823 -0.061 0.000 0.800 222 V HN 0.225 nan 8.190 nan 0.000 0.479 223 T N -1.152 113.279 114.554 -0.204 0.000 2.977 223 T HA 0.043 4.393 4.350 -0.001 0.000 0.271 223 T C 1.595 176.140 174.700 -0.258 0.000 1.105 223 T CA 1.444 63.421 62.100 -0.205 0.000 1.116 223 T CB -0.586 68.151 68.868 -0.219 0.000 0.878 223 T HN 1.696 nan 8.240 nan 0.000 0.509 224 G N 0.881 109.443 108.800 -0.397 0.000 2.198 224 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G C -0.166 174.533 174.900 -0.335 0.000 1.025 224 G CA 0.574 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 -1.345 119.580 121.223 -0.498 0.000 2.409 225 L HA 0.507 4.847 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 2.263 44.231 42.059 -0.152 0.000 1.426 225 L HN -0.159 nan 8.230 nan 0.000 0.411 226 V N 3.040 122.945 119.914 -0.016 0.000 2.149 226 V HA -0.021 4.099 4.120 -0.001 0.000 0.245 226 V C 1.472 177.515 176.094 -0.085 0.000 1.349 226 V CA -0.172 62.135 62.300 0.012 0.000 1.289 226 V CB -0.015 31.832 31.823 0.040 0.000 1.401 226 V HN 0.702 nan 8.190 nan 0.000 0.501 227 M N 3.609 123.131 119.600 -0.131 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 2.337 57.538 55.300 -0.164 0.000 1.069 227 M CB -2.485 30.012 32.600 -0.172 0.000 1.292 227 M HN 0.346 nan 8.290 nan 0.000 0.430 228 P HA -0.002 nan 4.420 nan 0.000 0.234 228 P C 0.791 178.045 177.300 -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 0.116 174.948 174.900 -0.114 0.000 0.979 229 G CA 0.180 45.218 45.100 -0.103 0.000 0.663 229 G HN 0.388 nan 8.290 nan 0.000 0.533 230 V N -0.178 119.662 119.914 -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 1.544 33.365 31.823 -0.004 0.000 1.015 230 V HN 0.257 nan 8.190 nan 0.000 0.427 231 Y N 1.961 122.338 120.300 0.129 0.000 2.650 231 Y HA 0.107 4.657 4.550 -0.001 0.000 0.342 231 Y C 1.524 177.438 175.900 0.023 0.000 1.110 231 Y CA 0.387 58.549 58.100 0.103 0.000 1.438 231 Y CB 0.636 39.206 38.460 0.182 0.000 1.181 231 Y HN 0.698 nan 8.280 nan 0.000 0.526 232 T N 4.215 118.857 114.554 0.147 0.000 2.695 232 T HA -0.131 4.219 4.350 -0.001 0.000 0.264 232 T C 0.970 175.715 174.700 0.074 0.000 0.993 232 T CA -0.521 61.637 62.100 0.097 0.000 1.248 232 T CB -0.555 68.374 68.868 0.102 0.000 0.946 232 T HN 0.739 nan 8.240 nan 0.000 0.526 233 N N 4.935 123.667 118.700 0.054 0.000 2.747 233 N HA -0.049 4.690 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 0.107 53.165 53.050 0.013 0.000 0.960 233 N CB -0.145 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 0.395 4.745 4.350 -0.001 0.000 0.274 234 E C -0.538 175.987 176.600 -0.126 0.000 1.022 234 E CA -0.666 55.723 56.400 -0.019 0.000 0.853 234 E CB 1.751 31.479 29.700 0.048 0.000 1.086 234 E HN 0.429 nan 8.360 nan 0.000 0.397 235 A N 2.931 125.550 122.820 -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 -0.591 0.000 1.135 235 A CA -0.102 51.750 52.037 -0.307 0.000 0.804 235 A CB -0.294 18.576 19.000 -0.217 0.000 1.064 235 A HN 0.480 nan 8.150 nan 0.000 0.499 236 F N 3.423 123.282 119.950 -0.153 0.000 2.794 236 F HA 0.319 4.845 4.527 -0.001 0.000 0.353 236 F C 0.083 175.782 175.800 -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 39.132 39.000 -0.256 0.000 1.693 236 F HN 0.854 nan 8.300 nan 0.000 0.606 237 H N 0.411 119.454 119.070 -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 -0.016 0.000 0.601 237 H CA -0.684 55.358 56.048 -0.011 0.000 0.743 237 H CB 0.226 30.041 29.762 0.088 0.000 1.073 237 H HN 0.260 nan 8.280 nan 0.000 0.311 238 P HA 0.047 nan 4.420 nan 0.000 0.266 238 P C -0.268 177.153 177.300 0.201 0.000 1.193 238 P CA 0.927 63.951 63.100 -0.127 0.000 0.770 238 P CB 0.555 32.065 31.700 -0.316 0.000 0.836 239 D N 1.122 121.661 120.400 0.232 0.000 2.744 239 D HA 0.535 5.174 4.640 -0.001 0.000 0.304 239 D C -1.055 175.430 176.300 0.308 0.000 1.179 239 D CA -0.488 53.743 54.000 0.385 0.000 1.024 239 D CB 0.816 41.853 40.800 0.395 0.000 1.453 239 D HN 0.123 nan 8.370 nan 0.000 0.529 240 I N -0.045 120.708 120.570 0.306 0.000 2.534 240 I HA 0.359 4.529 4.170 -0.001 0.000 0.288 240 I C -0.858 175.301 176.117 0.069 0.000 1.077 240 I CA -0.802 60.586 61.300 0.148 0.000 1.051 240 I CB 1.932 40.016 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 0.431 4.601 4.170 -0.001 0.000 0.288 241 I C -0.256 175.695 176.117 -0.275 0.000 0.999 241 I CA -0.332 60.848 61.300 -0.201 0.000 1.163 241 I CB 1.268 39.049 38.000 -0.366 0.000 1.316 241 I HN 0.323 nan 8.210 nan 0.000 0.454 242 L N 6.119 127.256 121.223 -0.143 0.000 2.347 242 L HA 0.658 4.997 4.340 -0.001 0.000 0.268 242 L C -0.381 176.403 176.870 -0.144 0.000 1.019 242 L CA -0.943 53.813 54.840 -0.139 0.000 0.806 242 L CB 1.827 43.904 42.059 0.029 0.000 1.339 242 L HN 0.447 nan 8.230 nan 0.000 0.463 243 L N -0.454 120.585 121.223 -0.308 0.000 2.277 243 L HA 0.526 4.866 4.340 -0.001 0.000 0.254 243 L C -2.477 173.661 176.870 -1.220 0.000 1.044 243 L CA -1.835 52.719 54.840 -0.478 0.000 0.842 243 L CB 3.006 44.917 42.059 -0.246 0.000 1.422 243 L HN 0.240 nan 8.230 nan 0.000 0.422 244 P HA 0.120 nan 4.420 nan 0.000 0.269 244 P C 0.239 177.141 177.300 -0.664 0.000 1.209 244 P CA 0.627 62.988 63.100 -1.231 0.000 0.776 244 P CB 0.560 32.008 31.700 -0.420 0.000 0.876 245 G N 0.622 109.176 108.800 -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 0.199 45.022 45.100 -0.462 0.000 0.708 245 G HN 0.868 nan 8.290 nan 0.000 0.520 246 C N -3.096 115.832 119.300 -0.621 0.000 3.336 246 C HA 1.101 5.561 4.460 -0.001 0.000 0.339 246 C C 0.745 175.534 174.990 -0.335 0.000 1.468 246 C CA -0.143 58.514 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 2.086 nan 8.230 nan 0.000 0.451 247 G N -1.051 107.538 108.800 -0.353 0.000 2.341 247 G HA2 0.642 4.602 3.960 -0.001 0.000 0.299 247 G HA3 0.642 4.602 3.960 -0.001 0.000 0.299 247 G C -2.021 172.859 174.900 -0.035 0.000 1.274 247 G CA 0.306 45.336 45.100 -0.116 0.000 0.853 247 G HN 2.030 nan 8.290 nan 0.000 0.493 248 V N 0.183 120.197 119.914 0.166 0.000 3.007 248 V HA 0.772 4.892 4.120 -0.001 0.000 0.311 248 V C -1.819 174.413 176.094 0.230 0.000 1.120 248 V CA -0.451 62.000 62.300 0.252 0.000 0.980 248 V CB 2.142 34.061 31.823 0.161 0.000 1.033 248 V HN 1.124 nan 8.190 nan 0.000 0.429 249 D N 3.543 124.015 120.400 0.119 0.000 2.646 249 D HA 0.397 5.037 4.640 -0.001 0.000 0.245 249 D C -0.755 175.427 176.300 -0.197 0.000 1.099 249 D CA -0.353 53.635 54.000 -0.020 0.000 0.849 249 D CB 1.848 42.565 40.800 -0.138 0.000 1.448 249 D HN 0.344 nan 8.370 nan 0.000 0.489 250 F N 1.189 121.216 119.950 0.127 0.000 2.688 250 F HA 0.142 4.669 4.527 -0.001 0.000 0.310 250 F C 2.196 178.092 175.800 0.160 0.000 1.098 250 F CA -0.314 57.810 58.000 0.206 0.000 1.228 250 F CB 0.599 39.757 39.000 0.262 0.000 1.042 250 F HN 0.330 nan 8.300 nan 0.000 0.557 251 T N -0.898 113.761 114.554 0.174 0.000 2.814 251 T HA -0.263 4.086 4.350 -0.001 0.000 0.264 251 T C 0.703 175.207 174.700 -0.328 0.000 1.050 251 T CA 1.725 63.764 62.100 -0.103 0.000 1.147 251 T CB -0.409 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 -0.206 118.922 119.070 0.098 0.000 2.624 252 H HA 0.615 5.171 4.556 -0.001 0.000 0.233 252 H C -0.440 174.969 175.328 0.135 0.000 1.376 252 H CA -0.290 55.778 56.048 0.032 0.000 1.137 252 H CB 0.465 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 0.310 116.174 115.700 0.273 0.000 2.548 253 S HA 0.285 4.755 4.470 -0.001 0.000 0.278 253 S C 0.342 175.096 174.600 0.256 0.000 1.150 253 S CA -0.718 57.685 58.200 0.339 0.000 0.907 253 S CB 1.320 64.804 63.200 0.474 0.000 1.108 253 S HN 0.453 nan 8.310 nan 0.000 0.459 254 R N 2.856 123.472 120.500 0.193 0.000 2.297 254 R HA 0.274 4.613 4.340 -0.001 0.000 0.197 254 R C 1.538 177.854 176.300 0.026 0.000 0.943 254 R CA 0.260 56.408 56.100 0.080 0.000 1.038 254 R CB -0.231 30.113 30.300 0.074 0.000 0.957 254 R HN 0.630 nan 8.270 nan 0.000 0.484 255 L N 0.549 121.830 121.223 0.096 0.000 2.189 255 L HA -0.260 4.079 4.340 -0.001 0.000 0.214 255 L C 2.582 179.291 176.870 -0.268 0.000 1.097 255 L CA 1.371 56.202 54.840 -0.014 0.000 0.764 255 L CB -0.541 41.585 42.059 0.112 0.000 0.900 255 L HN 0.273 nan 8.230 nan 0.000 0.436 256 S N 0.665 116.119 115.700 -0.409 0.000 2.372 256 S HA -0.268 4.202 4.470 -0.001 0.000 0.227 256 S C 1.846 176.197 174.600 -0.415 0.000 1.044 256 S CA 2.003 59.762 58.200 -0.735 0.000 1.050 256 S CB -0.325 62.648 63.200 -0.378 0.000 0.901 256 S HN 0.502 nan 8.310 nan 0.000 0.447 257 N N 1.564 120.113 118.700 -0.251 0.000 2.149 257 N HA -0.084 4.656 4.740 -0.001 0.000 0.188 257 N C 1.734 177.132 175.510 -0.188 0.000 1.019 257 N CA 1.337 54.273 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 1.740 122.849 121.223 -0.190 0.000 2.012 258 L HA -0.069 4.271 4.340 -0.001 0.000 0.210 258 L C 2.022 178.749 176.870 -0.239 0.000 1.073 258 L CA 1.361 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 4.357 4.340 -0.001 0.000 0.208 259 L C 1.625 178.307 176.870 -0.313 0.000 1.077 259 L CA 1.016 55.653 54.840 -0.339 0.000 0.747 259 L CB -0.901 40.918 42.059 -0.399 0.000 0.896 259 L HN 0.600 nan 8.230 nan 0.000 0.432 260 G N 0.470 109.123 108.800 -0.246 0.000 2.164 260 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.212 260 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.212 260 G C -0.084 174.767 174.900 -0.082 0.000 1.031 260 G CA -0.445 44.592 45.100 -0.105 0.000 0.730 260 G HN 0.135 nan 8.290 nan 0.000 0.501 261 I N 0.628 121.018 120.570 -0.300 0.000 2.428 261 I HA 0.484 4.654 4.170 -0.001 0.000 0.279 261 I C 0.600 176.555 176.117 -0.270 0.000 1.040 261 I CA -0.744 60.253 61.300 -0.505 0.000 1.171 261 I CB 0.870 38.361 38.000 -0.848 0.000 1.312 261 I HN 0.108 nan 8.210 nan 0.000 0.470 262 R N 3.333 123.690 120.500 -0.237 0.000 2.540 262 R HA 0.404 4.744 4.340 -0.001 0.000 0.287 262 R C 0.050 176.177 176.300 -0.289 0.000 0.980 262 R CA -0.785 55.153 56.100 -0.270 0.000 0.966 262 R CB 2.102 32.266 30.300 -0.226 0.000 1.106 262 R HN 0.401 nan 8.270 nan 0.000 0.480 263 K N 1.556 121.662 120.400 -0.490 0.000 2.368 263 K HA -0.016 4.303 4.320 -0.001 0.000 0.282 263 K C 0.860 177.334 176.600 -0.210 0.000 1.035 263 K CA 0.016 56.067 56.287 -0.393 0.000 0.973 263 K CB 0.771 32.923 32.500 -0.580 0.000 0.957 263 K HN 0.341 nan 8.250 nan 0.000 0.474 264 R N 2.354 122.798 120.500 -0.095 0.000 2.293 264 R HA -0.141 4.199 4.340 -0.001 0.000 0.219 264 R C 0.095 176.384 176.300 -0.019 0.000 1.091 264 R CA 1.598 57.680 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 -2.206 117.576 119.800 -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 -0.081 0.000 0.787 265 Q CA -1.525 54.269 55.803 -0.015 0.000 0.904 265 Q CB 1.287 30.065 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 0.527 177.612 177.300 -0.358 0.000 1.150 266 P CA 1.559 64.411 63.100 -0.413 0.000 0.933 266 P CB -0.222 31.103 31.700 -0.625 0.000 0.785 267 F N -0.008 119.911 119.950 -0.050 0.000 2.729 267 F HA -0.046 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 0.367 58.345 58.000 -0.037 0.000 1.450 267 F CB -0.785 38.202 39.000 -0.022 0.000 1.109 267 F HN 0.001 nan 8.300 nan 0.000 0.561 268 Q N 1.433 121.267 119.800 0.056 0.000 2.431 268 Q HA 0.109 4.449 4.340 -0.001 0.000 0.249 268 Q C -0.087 175.921 176.000 0.015 0.000 1.025 268 Q CA -0.314 55.520 55.803 0.052 0.000 0.835 268 Q CB 1.192 29.965 28.738 0.058 0.000 1.207 268 Q HN 0.431 nan 8.270 nan 0.000 0.490 269 E N 1.541 121.751 120.200 0.017 0.000 2.529 269 E HA 0.191 4.540 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 0.559 56.950 56.400 -0.015 0.000 0.937 269 E CB 0.291 29.985 29.700 -0.011 0.000 0.923 269 E HN 0.776 nan 8.360 nan 0.000 0.468 270 G N 3.965 112.749 108.800 -0.026 0.000 3.226 270 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.685 270 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.685 270 G C -1.064 173.961 174.900 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 3.735 123.698 119.950 0.021 0.000 2.809 271 F HA 0.526 5.052 4.527 -0.000 0.000 0.369 271 F C 0.448 176.360 175.800 0.186 0.000 1.225 271 F CA -1.020 57.062 58.000 0.137 0.000 1.201 271 F CB 0.727 39.812 39.000 0.142 0.000 1.527 271 F HN 0.411 nan 8.300 nan 0.000 0.565 272 R N 4.787 125.424 120.500 0.228 0.000 2.445 272 R HA 0.594 4.934 4.340 -0.001 0.000 0.308 272 R C -1.173 175.233 176.300 0.177 0.000 0.961 272 R CA -0.844 55.328 56.100 0.121 0.000 0.862 272 R CB 2.906 33.256 30.300 0.084 0.000 1.144 272 R HN 0.593 nan 8.270 nan 0.000 0.447 273 I N 3.015 123.680 120.570 0.159 0.000 2.476 273 I HA 0.255 4.425 4.170 -0.001 0.000 0.281 273 I C -0.369 175.876 176.117 0.213 0.000 1.040 273 I CA -0.135 61.310 61.300 0.241 0.000 1.094 273 I CB 1.504 39.576 38.000 0.121 0.000 1.219 273 I HN 0.730 nan 8.210 nan 0.000 0.450 274 T N 2.986 117.663 114.554 0.205 0.000 2.870 274 T HA 0.283 4.633 4.350 -0.001 0.000 0.277 274 T C 0.878 175.690 174.700 0.186 0.000 1.000 274 T CA -0.255 61.947 62.100 0.170 0.000 0.982 274 T CB 1.047 70.008 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 -0.950 37.480 38.460 -0.051 0.000 0.969 275 Y HN 0.740 nan 8.280 nan 0.000 0.488 276 D N -0.074 120.359 120.400 0.055 0.000 2.239 276 D HA -0.217 4.423 4.640 -0.001 0.000 0.202 276 D C 1.484 177.758 176.300 -0.045 0.000 0.993 276 D CA 1.637 55.610 54.000 -0.045 0.000 0.874 276 D CB -0.213 40.600 40.800 0.022 0.000 0.922 276 D HN 0.527 nan 8.370 nan 0.000 0.464 277 D N 0.784 121.200 120.400 0.027 0.000 2.091 277 D HA -0.021 4.618 4.640 -0.001 0.000 0.199 277 D C 1.276 177.648 176.300 0.121 0.000 0.980 277 D CA 0.201 54.253 54.000 0.086 0.000 0.831 277 D CB -0.171 40.746 40.800 0.194 0.000 0.987 277 D HN 0.228 nan 8.370 nan 0.000 0.460 278 L N 2.066 123.353 121.223 0.106 0.000 2.505 278 L HA 0.059 4.398 4.340 -0.001 0.000 0.275 278 L C 0.646 177.468 176.870 -0.080 0.000 1.264 278 L CA 0.177 55.059 54.840 0.069 0.000 1.148 278 L CB -0.417 41.692 42.059 0.084 0.000 1.377 278 L HN -0.034 nan 8.230 nan 0.000 0.442 279 E N 2.033 122.203 120.200 -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 31.262 29.700 -0.066 0.000 1.130 279 E HN 0.532 nan 8.360 nan 0.000 0.394 280 G N 1.747 110.482 108.800 -0.108 0.000 2.920 280 G HA2 0.051 4.010 3.960 -0.001 0.000 0.210 280 G HA3 0.051 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 0.203 45.236 45.100 -0.111 0.000 0.853 280 G HN 1.143 nan 8.290 nan 0.000 0.333 281 G N 0.672 109.343 108.800 -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 1.106 nan 8.290 nan 0.000 0.497 282 N N 0.221 118.732 118.700 -0.314 0.000 2.479 282 N HA 0.566 5.306 4.740 -0.001 0.000 0.285 282 N C 0.780 176.136 175.510 -0.257 0.000 1.075 282 N CA -0.553 52.373 53.050 -0.207 0.000 0.967 282 N CB 1.234 39.631 38.487 -0.150 0.000 1.137 282 N HN 0.317 nan 8.380 nan 0.000 0.472 283 I N 2.818 123.310 120.570 -0.130 0.000 2.752 283 I HA -0.012 4.157 4.170 -0.001 0.000 0.286 283 I C -1.881 174.282 176.117 0.076 0.000 1.180 283 I CA -0.990 60.253 61.300 -0.095 0.000 1.404 283 I CB 0.126 37.961 38.000 -0.275 0.000 1.389 283 I HN 0.268 nan 8.210 nan 0.000 0.549 284 P HA 0.065 nan 4.420 nan 0.000 0.270 284 P C -0.617 177.002 177.300 0.533 0.000 1.223 284 P CA -0.211 63.210 63.100 0.536 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 -0.575 51.667 52.037 0.341 0.000 0.816 285 A CB -0.248 18.903 19.000 0.251 0.000 1.067 285 A HN 0.490 nan 8.150 nan 0.000 0.489 286 L N 1.916 123.183 121.223 0.073 0.000 2.416 286 L HA 0.215 4.555 4.340 -0.001 0.000 0.272 286 L C 0.502 177.347 176.870 -0.041 0.000 1.161 286 L CA -0.193 54.584 54.840 -0.105 0.000 0.845 286 L CB 0.583 42.544 42.059 -0.164 0.000 1.119 286 L HN 0.752 nan 8.230 nan 0.000 0.464 287 L N 2.690 123.865 121.223 -0.079 0.000 2.439 287 L HA 0.150 4.489 4.340 -0.001 0.000 0.269 287 L C 0.386 177.215 176.870 -0.068 0.000 1.179 287 L CA -0.309 54.481 54.840 -0.083 0.000 0.828 287 L CB 0.762 42.738 42.059 -0.139 0.000 1.106 287 L HN 0.562 nan 8.230 nan 0.000 0.467 288 D N 3.323 123.696 120.400 -0.044 0.000 2.342 288 D HA 0.033 4.673 4.640 -0.001 0.000 0.260 288 D C 1.084 177.385 176.300 0.002 0.000 1.278 288 D CA -0.042 53.944 54.000 -0.024 0.000 0.910 288 D CB 1.367 42.162 40.800 -0.009 0.000 1.079 288 D HN 0.490 nan 8.370 nan 0.000 0.496 289 V N 4.328 124.237 119.914 -0.008 0.000 2.261 289 V HA -0.215 3.905 4.120 -0.001 0.000 0.246 289 V C 2.009 178.146 176.094 0.072 0.000 1.047 289 V CA 1.396 63.706 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 0.645 121.068 120.400 0.038 0.000 2.078 290 D HA -0.150 4.489 4.640 -0.001 0.000 0.193 290 D C 2.316 178.642 176.300 0.043 0.000 0.990 290 D CA 1.811 55.831 54.000 0.034 0.000 0.827 290 D CB -0.413 40.391 40.800 0.008 0.000 0.975 290 D HN 0.395 nan 8.370 nan 0.000 0.451 291 A N 0.660 123.503 122.820 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 1.953 54.010 52.037 0.033 0.000 0.647 291 A CB -1.292 17.726 19.000 0.031 0.000 0.825 291 A HN 0.386 nan 8.150 nan 0.000 0.456 292 Y N -0.144 120.137 120.300 -0.032 0.000 2.133 292 Y HA -0.221 4.329 4.550 -0.001 0.000 0.287 292 Y C 2.747 178.632 175.900 -0.026 0.000 1.134 292 Y CA 2.298 60.380 58.100 -0.030 0.000 1.133 292 Y CB -0.285 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 4.141 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 1.654 57.465 55.803 0.014 0.000 0.843 293 Q CB -1.043 27.734 28.738 0.064 0.000 0.904 293 Q HN 0.616 nan 8.270 nan 0.000 0.420 294 A N 0.652 123.451 122.820 -0.034 0.000 2.032 294 A HA -0.117 4.203 4.320 -0.001 0.000 0.221 294 A C 1.707 179.248 177.584 -0.072 0.000 1.165 294 A CA 1.283 53.295 52.037 -0.042 0.000 0.645 294 A CB -0.348 18.637 19.000 -0.025 0.000 0.807 294 A HN 0.307 nan 8.150 nan 0.000 0.453 295 S N -2.202 113.429 115.700 -0.115 0.000 2.686 295 S HA 0.507 4.976 4.470 -0.001 0.000 0.270 295 S C -0.165 174.331 174.600 -0.173 0.000 1.194 295 S CA 0.051 58.167 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 0.987 nan 8.310 nan 0.000 0.560 296 L N 0.827 121.960 121.223 -0.151 0.000 2.869 296 L HA -0.022 4.317 4.340 -0.001 0.000 0.656 296 L C 0.339 177.157 176.870 -0.087 0.000 1.328 296 L CA 0.996 55.755 54.840 -0.134 0.000 1.185 296 L CB -1.663 40.291 42.059 -0.175 0.000 1.974 296 L HN 0.896 nan 8.230 nan 0.000 0.851 297 K N -1.020 119.339 120.400 -0.069 0.000 2.826 297 K HA 0.219 4.538 4.320 -0.001 0.000 0.195 297 K C 0.310 176.885 176.600 -0.042 0.000 1.516 297 K CA 0.267 56.524 56.287 -0.049 0.000 1.213 297 K CB 0.928 33.401 32.500 -0.044 0.000 1.762 297 K HN 0.406 nan 8.250 nan 0.000 0.583 374 Q N 0.214 120.004 119.800 -0.016 0.000 1.882 374 Q HA 0.132 4.472 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 55.890 55.803 -0.021 0.000 0.932 374 Q CB 0.904 29.629 28.738 -0.021 0.000 1.239 374 Q HN 0.622 nan 8.270 nan 0.000 0.406 375 K N 0.789 121.178 120.400 -0.018 0.000 2.604 375 K HA -0.072 4.248 4.320 -0.001 0.000 0.277 375 K C -0.287 176.300 176.600 -0.023 0.000 0.966 375 K CA 0.736 57.013 56.287 -0.016 0.000 0.991 375 K CB 0.517 33.010 32.500 -0.012 0.000 0.865 375 K HN -0.165 nan 8.250 nan 0.000 0.511 376 K N 0.967 121.358 120.400 -0.014 0.000 2.211 376 K HA 0.217 4.536 4.320 -0.001 0.000 0.237 376 K C -1.751 174.854 176.600 0.009 0.000 1.002 376 K CA -2.105 54.166 56.287 -0.027 0.000 0.885 376 K CB 1.127 33.612 32.500 -0.025 0.000 1.136 376 K HN 0.504 nan 8.250 nan 0.000 0.448 377 P HA -0.088 nan 4.420 nan 0.000 0.239 377 P C 1.092 178.480 177.300 0.147 0.000 1.184 377 P CA 0.475 63.605 63.100 0.051 0.000 0.760 377 P CB 0.128 31.836 31.700 0.013 0.000 0.884 378 V N 1.829 121.875 119.914 0.220 0.000 2.239 378 V HA -0.315 3.804 4.120 -0.001 0.000 0.246 378 V C 2.639 178.758 176.094 0.041 0.000 1.037 378 V CA 2.336 64.735 62.300 0.165 0.000 1.012 378 V CB -1.239 30.651 31.823 0.110 0.000 0.650 378 V HN 0.037 nan 8.190 nan 0.000 0.467 379 I N -0.874 119.704 120.570 0.013 0.000 2.310 379 I HA -0.357 3.813 4.170 -0.001 0.000 0.256 379 I C 1.416 177.521 176.117 -0.019 0.000 1.060 379 I CA 1.461 62.751 61.300 -0.017 0.000 1.362 379 I CB -0.606 37.386 38.000 -0.015 0.000 1.044 379 I HN 0.284 nan 8.210 nan 0.000 0.443 380 K N 3.302 123.701 120.400 -0.002 0.000 2.307 380 K HA 0.071 4.390 4.320 -0.001 0.000 0.285 380 K C -2.156 174.433 176.600 -0.019 0.000 1.073 380 K CA -1.294 54.988 56.287 -0.009 0.000 0.996 380 K CB 0.354 32.854 32.500 0.001 0.000 0.994 380 K HN 0.059 nan 8.250 nan 0.000 0.452 381 P HA 0.048 nan 4.420 nan 0.000 0.297 381 P C -0.411 176.873 177.300 -0.027 0.000 1.319 381 P CA -0.762 62.328 63.100 -0.017 0.000 0.810 381 P CB 0.979 32.679 31.700 -0.000 0.000 0.947 382 L N 3.914 125.111 121.223 -0.043 0.000 2.536 382 L HA -0.048 4.291 4.340 -0.001 0.000 0.294 382 L C 1.388 178.169 176.870 -0.148 0.000 1.257 382 L CA 1.706 56.483 54.840 -0.105 0.000 0.850 382 L CB -0.422 41.556 42.059 -0.135 0.000 1.105 382 L HN 0.468 nan 8.230 nan 0.000 0.517 383 T N 1.597 116.017 114.554 -0.224 0.000 2.987 383 T HA 0.272 4.622 4.350 -0.001 0.000 0.248 383 T C -0.081 174.377 174.700 -0.403 0.000 0.997 383 T CA 0.087 62.058 62.100 -0.216 0.000 1.013 383 T CB 0.390 69.190 68.868 -0.114 0.000 1.077 383 T HN 0.630 nan 8.240 nan 0.000 0.483 384 E N 0.180 120.096 120.200 -0.473 0.000 2.458 384 E HA 0.500 4.850 4.350 -0.001 0.000 0.278 384 E C -1.793 174.562 176.600 -0.408 0.000 1.004 384 E CA -0.809 55.314 56.400 -0.462 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 -0.197 120.091 120.400 -0.187 0.000 2.671 385 D HA 0.232 4.871 4.640 -0.001 0.000 0.232 385 D C -1.052 175.259 176.300 0.019 0.000 1.114 385 D CA -0.501 53.468 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 2.440 118.150 115.700 0.017 0.000 4.273 386 S HA -0.192 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 0.924 59.140 58.200 0.027 0.000 0.904 386 S CB -0.143 63.075 63.200 0.032 0.000 0.778 386 S HN 0.610 nan 8.310 nan 0.000 0.467 387 K N 0.422 120.844 120.400 0.038 0.000 3.424 387 K HA -0.151 4.169 4.320 -0.001 0.000 0.297 387 K C -0.486 176.148 176.600 0.056 0.000 1.365 387 K CA 0.648 56.966 56.287 0.051 0.000 0.889 387 K CB -1.385 31.157 32.500 0.071 0.000 1.455 387 K HN 0.819 nan 8.250 nan 0.000 0.483 388 K N 0.866 121.286 120.400 0.033 0.000 4.789 388 K HA -0.268 4.052 4.320 -0.001 0.000 0.290 388 K C -0.690 175.937 176.600 0.045 0.000 0.798 388 K CA 1.161 57.458 56.287 0.017 0.000 0.860 388 K CB -0.904 31.601 32.500 0.008 0.000 1.852 388 K HN 0.320 nan 8.250 nan 0.000 0.413 389 R N 1.237 121.781 120.500 0.073 0.000 2.229 389 R HA 0.237 4.576 4.340 -0.001 0.000 0.328 389 R C -0.093 176.283 176.300 0.128 0.000 1.009 389 R CA -0.688 55.489 56.100 0.128 0.000 0.864 389 R CB 1.400 31.824 30.300 0.207 0.000 1.085 389 R HN 0.156 nan 8.270 nan 0.000 0.453 390 S N 2.290 118.050 115.700 0.099 0.000 2.549 390 S HA 0.002 4.472 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 -0.122 58.128 58.200 0.082 0.000 1.062 390 S CB 0.225 63.445 63.200 0.034 0.000 0.865 390 S HN 0.489 nan 8.310 nan 0.000 0.498 391 Y N 1.784 122.029 120.300 -0.092 0.000 2.532 391 Y HA 0.195 4.745 4.550 -0.001 0.000 0.283 391 Y C 0.718 176.444 175.900 -0.289 0.000 1.181 391 Y CA -1.489 56.506 58.100 -0.174 0.000 1.256 391 Y CB -1.169 37.254 38.460 -0.062 0.000 1.112 391 Y HN 0.655 nan 8.280 nan 0.000 0.521 392 N N 1.221 119.879 118.700 -0.070 0.000 2.664 392 N HA -0.218 4.521 4.740 -0.001 0.000 0.296 392 N C -1.238 174.224 175.510 -0.080 0.000 1.153 392 N CA 0.425 53.406 53.050 -0.115 0.000 0.765 392 N CB -0.640 37.711 38.487 -0.228 0.000 0.962 392 N HN 0.126 nan 8.380 nan 0.000 0.564 393 L N 1.850 123.070 121.223 -0.005 0.000 2.312 393 L HA 0.354 4.693 4.340 -0.001 0.000 0.281 393 L C 2.078 178.969 176.870 0.036 0.000 1.070 393 L CA -0.255 54.605 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 0.402 nan 8.230 nan 0.000 0.434 394 I N 0.441 121.050 120.570 0.065 0.000 2.053 394 I HA -0.287 3.882 4.170 -0.001 0.000 0.236 394 I C 0.826 176.969 176.117 0.045 0.000 1.038 394 I CA 1.552 62.892 61.300 0.067 0.000 1.304 394 I CB 0.358 38.419 38.000 0.101 0.000 1.023 394 I HN 0.668 nan 8.210 nan 0.000 0.395 395 S N 0.449 116.172 115.700 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 -0.235 57.977 58.200 0.020 0.000 0.993 395 S CB 1.544 64.751 63.200 0.012 0.000 1.110 395 S HN 0.566 nan 8.310 nan 0.000 0.534 396 N N 0.853 119.555 118.700 0.004 0.000 2.571 396 N HA -0.073 4.667 4.740 -0.001 0.000 0.189 396 N C 0.428 175.933 175.510 -0.008 0.000 1.154 396 N CA 0.697 53.746 53.050 -0.002 0.000 0.907 396 N CB -0.000 38.484 38.487 -0.004 0.000 0.977 396 N HN 0.533 nan 8.380 nan 0.000 0.449 397 D N 0.405 120.798 120.400 -0.010 0.000 2.844 397 D HA 0.090 4.730 4.640 -0.001 0.000 0.271 397 D C -0.275 176.003 176.300 -0.038 0.000 1.386 397 D CA 0.209 54.196 54.000 -0.023 0.000 1.053 397 D CB -0.030 40.757 40.800 -0.022 0.000 1.107 397 D HN 0.027 nan 8.370 nan 0.000 0.395 398 S N 0.206 115.881 115.700 -0.042 0.000 2.593 398 S HA -0.061 4.409 4.470 -0.001 0.000 0.303 398 S C 1.238 175.788 174.600 -0.084 0.000 1.267 398 S CA 0.722 58.872 58.200 -0.084 0.000 1.047 398 S CB 0.744 63.921 63.200 -0.039 0.000 0.777 398 S HN 0.468 nan 8.310 nan 0.000 0.498 399 T N 0.024 114.455 114.554 -0.205 0.000 3.148 399 T HA 0.199 4.549 4.350 -0.001 0.000 0.253 399 T C 0.175 174.922 174.700 0.078 0.000 1.134 399 T CA 0.247 62.272 62.100 -0.126 0.000 1.051 399 T CB -0.462 68.279 68.868 -0.211 0.000 0.959 399 T HN 0.469 nan 8.240 nan 0.000 0.525 400 F N 2.760 122.764 119.950 0.089 0.000 2.420 400 F HA 0.430 4.957 4.527 -0.001 0.000 0.342 400 F C 1.272 177.115 175.800 0.071 0.000 1.113 400 F CA -1.493 56.564 58.000 0.095 0.000 1.059 400 F CB 1.395 40.441 39.000 0.077 0.000 1.128 400 F HN 0.006 nan 8.300 nan 0.000 0.475 401 T N -0.266 114.454 114.554 0.276 0.000 2.849 401 T HA 0.122 4.472 4.350 -0.001 0.000 0.284 401 T C 0.692 175.440 174.700 0.080 0.000 1.004 401 T CA -0.563 61.603 62.100 0.109 0.000 1.021 401 T CB 1.434 70.314 68.868 0.020 0.000 1.013 401 T HN 0.726 nan 8.240 nan 0.000 0.527 402 Q N -0.157 119.641 119.800 -0.003 0.000 2.297 402 Q HA 0.040 4.379 4.340 -0.001 0.000 0.204 402 Q C -0.118 176.006 176.000 0.207 0.000 0.962 402 Q CA 0.580 56.440 55.803 0.094 0.000 0.879 402 Q CB -0.159 28.595 28.738 0.027 0.000 0.947 402 Q HN 0.701 nan 8.270 nan 0.000 0.462 403 Y N 1.483 121.778 120.300 -0.008 0.000 2.632 403 Y HA 0.004 4.554 4.550 -0.001 0.000 0.329 403 Y C 0.415 176.287 175.900 -0.047 0.000 1.174 403 Y CA -0.338 57.712 58.100 -0.085 0.000 1.469 403 Y CB 0.347 38.659 38.460 -0.247 0.000 1.242 403 Y HN -0.007 nan 8.280 nan 0.000 0.540 404 R N 2.255 122.871 120.500 0.192 0.000 2.494 404 R HA 0.337 4.677 4.340 -0.001 0.000 0.305 404 R C -0.755 175.561 176.300 0.027 0.000 0.959 404 R CA -0.677 55.475 56.100 0.087 0.000 0.864 404 R CB 2.026 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 1.509 117.217 115.700 0.013 0.000 2.475 405 S HA 0.131 4.601 4.470 -0.001 0.000 0.298 405 S C 0.417 175.116 174.600 0.165 0.000 1.119 405 S CA -0.755 57.503 58.200 0.097 0.000 1.085 405 S CB 0.731 64.022 63.200 0.151 0.000 1.028 405 S HN 0.712 nan 8.310 nan 0.000 0.489 406 W N 5.451 126.811 121.300 0.100 0.000 2.353 406 W HA -0.151 4.509 4.660 -0.001 0.000 0.319 406 W C 1.655 178.256 176.519 0.137 0.000 1.207 406 W CA 1.815 59.222 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 0.775 121.060 120.300 -0.024 0.000 2.062 407 Y HA -0.378 4.172 4.550 -0.001 0.000 0.276 407 Y C 2.355 178.094 175.900 -0.268 0.000 1.189 407 Y CA 2.788 60.729 58.100 -0.265 0.000 1.130 407 Y CB -1.161 37.332 38.460 0.057 0.000 0.959 407 Y HN -0.003 nan 8.280 nan 0.000 0.499 408 L N -0.129 121.116 121.223 0.037 0.000 1.990 408 L HA -0.275 4.065 4.340 -0.001 0.000 0.213 408 L C 2.724 179.518 176.870 -0.126 0.000 1.072 408 L CA 2.169 57.041 54.840 0.053 0.000 0.755 408 L CB -1.585 40.524 42.059 0.084 0.000 0.889 408 L HN 0.364 nan 8.230 nan 0.000 0.432 409 A N -1.448 121.260 122.820 -0.186 0.000 1.842 409 A HA -0.345 3.975 4.320 -0.001 0.000 0.217 409 A C 2.300 179.685 177.584 -0.332 0.000 1.206 409 A CA 2.099 54.011 52.037 -0.208 0.000 0.630 409 A CB -1.382 17.533 19.000 -0.143 0.000 0.839 409 A HN 0.479 nan 8.150 nan 0.000 0.447 410 Y N 1.386 121.259 120.300 -0.711 0.000 2.062 410 Y HA -0.308 4.241 4.550 -0.001 0.000 0.276 410 Y C 2.375 177.883 175.900 -0.653 0.000 1.189 410 Y CA 2.593 60.234 58.100 -0.765 0.000 1.130 410 Y CB -0.221 37.452 38.460 -1.312 0.000 0.959 410 Y HN 0.386 nan 8.280 nan 0.000 0.499 411 N N -1.832 116.426 118.700 -0.738 0.000 2.333 411 N HA -0.120 4.619 4.740 -0.001 0.000 0.178 411 N C 1.253 176.230 175.510 -0.889 0.000 1.018 411 N CA 1.523 54.020 53.050 -0.921 0.000 0.882 411 N CB -0.247 37.446 38.487 -1.323 0.000 0.984 411 N HN 0.499 nan 8.380 nan 0.000 0.434 412 Y N -0.001 120.089 120.300 -0.349 0.000 2.535 412 Y HA 0.332 4.882 4.550 -0.001 0.000 0.264 412 Y C 1.599 177.361 175.900 -0.230 0.000 1.087 412 Y CA -0.459 57.478 58.100 -0.272 0.000 1.285 412 Y CB 0.441 38.741 38.460 -0.267 0.000 1.200 412 Y HN -0.128 nan 8.280 nan 0.000 0.514 413 G N 0.376 109.111 108.800 -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 2.280 122.629 120.400 -0.085 0.000 7.547 414 D HA -0.129 4.510 4.640 -0.001 0.000 0.125 414 D C -1.214 175.023 176.300 -0.105 0.000 1.148 414 D CA -0.257 53.696 54.000 -0.078 0.000 0.811 414 D CB 0.901 41.673 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 1.006 178.247 177.300 -0.098 0.000 1.150 415 P CA 1.062 64.060 63.100 -0.169 0.000 0.814 415 P CB 0.194 31.781 31.700 -0.187 0.000 0.787 416 Q N -2.074 117.690 119.800 -0.060 0.000 2.451 416 Q HA 0.065 4.405 4.340 -0.001 0.000 0.206 416 Q C 1.086 177.088 176.000 0.002 0.000 0.947 416 Q CA 0.981 56.769 55.803 -0.025 0.000 0.937 416 Q CB -0.005 28.719 28.738 -0.023 0.000 1.025 416 Q HN 0.201 nan 8.270 nan 0.000 0.511 417 T N -1.213 113.342 114.554 0.002 0.000 3.057 417 T HA 0.135 4.484 4.350 -0.001 0.000 0.254 417 T C 0.858 175.594 174.700 0.060 0.000 0.965 417 T CA 0.270 62.385 62.100 0.025 0.000 0.978 417 T CB 0.314 69.185 68.868 0.004 0.000 1.169 417 T HN 0.365 nan 8.240 nan 0.000 0.489 418 G N 1.103 109.922 108.800 0.032 0.000 2.518 418 G HA2 0.238 4.197 3.960 -0.001 0.000 0.284 418 G HA3 0.238 4.197 3.960 -0.001 0.000 0.284 418 G C 0.993 176.018 174.900 0.208 0.000 1.362 418 G CA -0.338 44.800 45.100 0.063 0.000 1.065 418 G HN 0.340 nan 8.290 nan 0.000 0.561 419 I N -0.582 120.136 120.570 0.246 0.000 2.493 419 I HA -0.118 4.052 4.170 -0.001 0.000 0.254 419 I C 2.827 179.041 176.117 0.162 0.000 1.160 419 I CA 0.936 62.484 61.300 0.414 0.000 1.445 419 I CB -0.241 38.017 38.000 0.430 0.000 1.086 419 I HN 0.476 nan 8.210 nan 0.000 0.433 420 R N 1.133 121.612 120.500 -0.035 0.000 2.226 420 R HA -0.221 4.119 4.340 -0.001 0.000 0.246 420 R C 2.285 178.534 176.300 -0.086 0.000 1.161 420 R CA 1.812 57.705 56.100 -0.345 0.000 0.997 420 R CB -0.324 29.579 30.300 -0.663 0.000 0.870 420 R HN 0.364 nan 8.270 nan 0.000 0.465 421 S N -0.236 115.507 115.700 0.072 0.000 2.317 421 S HA -0.097 4.373 4.470 -0.001 0.000 0.212 421 S C 1.535 176.269 174.600 0.224 0.000 1.030 421 S CA 0.876 59.165 58.200 0.149 0.000 0.970 421 S CB -0.489 62.837 63.200 0.209 0.000 0.928 421 S HN 0.675 nan 8.310 nan 0.000 0.451 422 W N 2.033 123.403 121.300 0.117 0.000 3.256 422 W HA 0.389 5.049 4.660 -0.001 0.000 0.269 422 W C 0.489 177.119 176.519 0.185 0.000 1.310 422 W CA 0.158 57.582 57.345 0.132 0.000 1.673 422 W CB -1.750 27.786 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 -0.369 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 -0.308 0.000 1.010 423 T CB 1.794 70.423 68.868 -0.399 0.000 1.214 423 T HN -0.029 nan 8.240 nan 0.000 0.533 424 L N 3.084 124.300 121.223 -0.012 0.000 2.438 424 L HA 0.714 5.053 4.340 -0.001 0.000 0.270 424 L C -1.559 175.227 176.870 -0.140 0.000 0.972 424 L CA -0.880 53.967 54.840 0.013 0.000 0.831 424 L CB 1.632 43.686 42.059 -0.009 0.000 1.273 424 L HN 0.592 nan 8.230 nan 0.000 0.405 425 L N 6.388 127.417 121.223 -0.324 0.000 2.319 425 L HA 0.745 5.085 4.340 -0.001 0.000 0.280 425 L C -0.462 176.355 176.870 -0.089 0.000 1.099 425 L CA 0.144 54.799 54.840 -0.307 0.000 0.828 425 L CB 0.193 41.865 42.059 -0.644 0.000 1.150 425 L HN 0.920 nan 8.230 nan 0.000 0.442 426 C N 0.280 119.585 119.300 0.008 0.000 3.321 426 C HA 0.569 5.029 4.460 -0.001 0.000 0.329 426 C C 0.338 175.415 174.990 0.146 0.000 1.394 426 C CA -0.982 58.075 59.018 0.064 0.000 1.291 426 C CB 0.768 28.509 27.740 0.003 0.000 1.606 426 C HN 0.813 nan 8.230 nan 0.000 0.463 427 T N 3.412 118.016 114.554 0.082 0.000 2.946 427 T HA 0.166 4.516 4.350 -0.001 0.000 0.312 427 T C -1.362 173.330 174.700 -0.014 0.000 1.066 427 T CA 0.541 62.670 62.100 0.047 0.000 1.138 427 T CB 0.296 69.175 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 0.110 177.355 177.300 -0.091 0.000 1.181 428 P CA 1.092 64.118 63.100 -0.122 0.000 0.933 428 P CB 0.062 31.675 31.700 -0.144 0.000 0.775 429 D N -1.891 118.471 120.400 -0.064 0.000 5.036 429 D HA -0.109 4.531 4.640 -0.001 0.000 0.231 429 D C 0.661 176.931 176.300 -0.051 0.000 1.396 429 D CA 0.509 54.481 54.000 -0.047 0.000 1.180 429 D CB -0.452 40.319 40.800 -0.048 0.000 0.614 429 D HN 0.060 nan 8.370 nan 0.000 0.300 430 V N 2.691 122.587 119.914 -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 2.901 65.183 62.300 -0.030 0.000 1.036 430 V CB -1.304 30.514 31.823 -0.008 0.000 0.664 430 V HN 0.835 nan 8.190 nan 0.000 0.453 431 T N -2.671 111.872 114.554 -0.017 0.000 2.882 431 T HA -0.352 3.998 4.350 -0.001 0.000 0.268 431 T C 1.418 176.105 174.700 -0.020 0.000 1.104 431 T CA 1.659 63.750 62.100 -0.016 0.000 1.118 431 T CB -1.417 67.454 68.868 0.005 0.000 0.831 431 T HN 1.169 nan 8.240 nan 0.000 0.529 432 C N -0.357 118.925 119.300 -0.030 0.000 4.933 432 C HA 0.100 4.559 4.460 -0.001 0.000 0.249 432 C C 1.145 176.116 174.990 -0.031 0.000 1.406 432 C CA 0.522 59.520 59.018 -0.034 0.000 1.505 432 C CB -2.107 25.627 27.740 -0.010 0.000 1.870 432 C HN 1.832 nan 8.230 nan 0.000 0.651 433 G N 0.010 108.796 108.800 -0.024 0.000 2.693 433 G HA2 0.364 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 -0.506 174.392 174.900 -0.004 0.000 1.378 433 G CA 0.016 45.102 45.100 -0.023 0.000 1.120 433 G HN 0.860 nan 8.290 nan 0.000 0.609 434 S N 2.485 118.184 115.700 -0.002 0.000 2.571 434 S HA 0.300 4.770 4.470 -0.001 0.000 0.297 434 S C 0.377 174.988 174.600 0.018 0.000 1.234 434 S CA 0.061 58.271 58.200 0.016 0.000 1.120 434 S CB 0.826 64.034 63.200 0.012 0.000 0.923 434 S HN 0.548 nan 8.310 nan 0.000 0.504 435 E N 2.539 122.753 120.200 0.023 0.000 2.235 435 E HA 0.324 4.673 4.350 -0.001 0.000 0.265 435 E C 0.123 176.728 176.600 0.009 0.000 0.940 435 E CA -0.823 55.584 56.400 0.013 0.000 0.819 435 E CB 1.172 30.880 29.700 0.013 0.000 1.206 435 E HN 0.665 nan 8.360 nan 0.000 0.409 436 Q N 0.132 119.917 119.800 -0.026 0.000 2.252 436 Q HA 0.642 4.981 4.340 -0.001 0.000 0.256 436 Q C -0.285 175.604 176.000 -0.184 0.000 1.020 436 Q CA -0.968 54.812 55.803 -0.038 0.000 0.913 436 Q CB 1.319 30.076 28.738 0.031 0.000 1.286 436 Q HN 0.262 nan 8.270 nan 0.000 0.480 437 V N -2.229 117.597 119.914 -0.146 0.000 3.001 437 V HA 0.667 4.786 4.120 -0.001 0.000 0.314 437 V C -1.189 174.856 176.094 -0.082 0.000 1.099 437 V CA -1.079 61.082 62.300 -0.233 0.000 0.989 437 V CB 1.646 33.383 31.823 -0.142 0.000 1.040 437 V HN 0.792 nan 8.190 nan 0.000 0.434 438 Y N 0.085 120.393 120.300 0.013 0.000 2.350 438 Y HA 0.564 5.114 4.550 -0.000 0.000 0.338 438 Y C -0.607 175.305 175.900 0.021 0.000 0.961 438 Y CA -0.713 57.434 58.100 0.079 0.000 1.100 438 Y CB 1.799 40.337 38.460 0.130 0.000 1.179 438 Y HN 0.701 nan 8.280 nan 0.000 0.454 439 W N 1.841 123.238 121.300 0.161 0.000 2.215 439 W HA 0.564 5.224 4.660 -0.000 0.000 0.342 439 W C -0.476 176.070 176.519 0.045 0.000 1.237 439 W CA -0.094 57.280 57.345 0.048 0.000 1.283 439 W CB 1.393 30.779 29.460 -0.124 0.000 1.131 439 W HN 0.341 nan 8.180 nan 0.000 0.606 440 S N 1.522 117.405 115.700 0.305 0.000 2.562 440 S HA 0.512 4.981 4.470 -0.001 0.000 0.274 440 S C -1.047 173.586 174.600 0.056 0.000 1.160 440 S CA -0.937 57.361 58.200 0.163 0.000 0.933 440 S CB 0.640 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 2.118 123.317 121.223 -0.041 0.000 2.913 441 L HA 0.308 4.648 4.340 -0.001 0.000 0.283 441 L C -2.133 174.634 176.870 -0.170 0.000 1.336 441 L CA -1.925 52.853 54.840 -0.104 0.000 0.815 441 L CB 0.795 42.809 42.059 -0.076 0.000 1.188 441 L HN 0.389 nan 8.230 nan 0.000 0.551 442 P HA -0.254 nan 4.420 nan 0.000 0.222 442 P C 0.768 177.933 177.300 -0.226 0.000 1.155 442 P CA 1.617 64.516 63.100 -0.334 0.000 0.890 442 P CB 0.206 31.445 31.700 -0.768 0.000 0.790 443 D N -2.453 117.817 120.400 -0.217 0.000 2.349 443 D HA 0.039 4.679 4.640 -0.001 0.000 0.224 443 D C 1.494 177.729 176.300 -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 40.801 40.800 -0.134 0.000 0.906 443 D HN 0.291 nan 8.370 nan 0.000 0.528 444 M N -0.652 118.883 119.600 -0.108 0.000 2.231 444 M HA 0.172 4.652 4.480 -0.001 0.000 0.347 444 M C -0.909 175.345 176.300 -0.078 0.000 0.901 444 M CA 0.244 55.490 55.300 -0.090 0.000 1.064 444 M CB 1.011 33.556 32.600 -0.092 0.000 1.861 444 M HN -0.250 nan 8.290 nan 0.000 0.638 445 M N 1.211 120.764 119.600 -0.078 0.000 2.378 445 M HA 0.347 4.827 4.480 -0.001 0.000 0.289 445 M C -0.893 175.373 176.300 -0.057 0.000 1.136 445 M CA -0.511 54.751 55.300 -0.063 0.000 0.917 445 M CB 2.559 35.115 32.600 -0.073 0.000 1.669 445 M HN -0.017 nan 8.290 nan 0.000 0.461 446 Q N 1.928 121.706 119.800 -0.036 0.000 2.315 446 Q HA -0.009 4.331 4.340 -0.001 0.000 0.289 446 Q C -0.763 175.206 176.000 -0.052 0.000 1.044 446 Q CA 0.627 56.413 55.803 -0.028 0.000 0.920 446 Q CB 0.570 29.303 28.738 -0.007 0.000 1.214 446 Q HN 0.363 nan 8.270 nan 0.000 0.392 447 D N 6.621 127.001 120.400 -0.034 0.000 2.348 447 D HA 0.097 4.737 4.640 -0.001 0.000 0.259 447 D C -2.193 174.067 176.300 -0.068 0.000 1.296 447 D CA -1.148 52.828 54.000 -0.040 0.000 0.931 447 D CB 0.235 41.061 40.800 0.044 0.000 1.067 447 D HN 0.302 nan 8.370 nan 0.000 0.503 448 P HA -0.154 nan 4.420 nan 0.000 0.263 448 P C 1.242 178.491 177.300 -0.085 0.000 1.162 448 P CA -0.119 62.846 63.100 -0.224 0.000 0.758 448 P CB 0.696 32.114 31.700 -0.470 0.000 0.773 449 V N 2.477 122.375 119.914 -0.027 0.000 2.445 449 V HA -0.434 3.686 4.120 -0.001 0.000 0.191 449 V C 2.189 178.351 176.094 0.114 0.000 0.905 449 V CA 3.100 65.424 62.300 0.040 0.000 1.297 449 V CB -2.429 29.419 31.823 0.041 0.000 0.958 449 V HN 0.861 nan 8.190 nan 0.000 0.491 450 T N -2.694 111.976 114.554 0.193 0.000 3.148 450 T HA 0.154 4.504 4.350 -0.001 0.000 0.253 450 T C 0.213 175.052 174.700 0.233 0.000 1.134 450 T CA 0.014 62.221 62.100 0.177 0.000 1.051 450 T CB -0.482 68.457 68.868 0.118 0.000 0.959 450 T HN 0.165 nan 8.240 nan 0.000 0.525 451 F N 2.658 122.606 119.950 -0.003 0.000 2.529 451 F HA 0.428 4.954 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 -1.409 56.595 58.000 0.007 0.000 1.271 451 F CB 0.356 39.361 39.000 0.009 0.000 1.120 451 F HN 0.050 nan 8.300 nan 0.000 0.579 452 R N 1.241 121.819 120.500 0.130 0.000 2.459 452 R HA 0.381 4.721 4.340 -0.001 0.000 0.281 452 R C -0.232 176.145 176.300 0.128 0.000 1.050 452 R CA -0.399 55.756 56.100 0.091 0.000 1.055 452 R CB 1.025 31.344 30.300 0.031 0.000 1.045 452 R HN 0.673 nan 8.270 nan 0.000 0.495 453 S N 1.602 117.365 115.700 0.105 0.000 2.513 453 S HA 0.330 4.799 4.470 -0.001 0.000 0.276 453 S C -0.510 174.158 174.600 0.113 0.000 1.254 453 S CA -0.096 58.171 58.200 0.111 0.000 1.053 453 S CB 1.046 64.291 63.200 0.075 0.000 0.958 453 S HN 0.669 nan 8.310 nan 0.000 0.491 454 T N 1.523 116.176 114.554 0.166 0.000 2.645 454 T HA 0.522 4.872 4.350 -0.001 0.000 0.300 454 T C 0.117 174.973 174.700 0.260 0.000 1.210 454 T CA 0.086 62.284 62.100 0.164 0.000 1.034 454 T CB 0.796 69.738 68.868 0.123 0.000 1.537 454 T HN 0.671 nan 8.240 nan 0.000 0.492 455 S N -0.269 115.560 115.700 0.215 0.000 2.733 455 S HA 0.251 4.721 4.470 -0.001 0.000 0.247 455 S C 0.415 175.087 174.600 0.120 0.000 1.043 455 S CA -0.313 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 2.110 121.891 119.800 -0.031 0.000 2.381 456 Q HA 0.354 4.693 4.340 -0.001 0.000 0.243 456 Q C 0.775 176.440 176.000 -0.558 0.000 1.154 456 Q CA -0.249 55.443 55.803 -0.184 0.000 0.899 456 Q CB -0.031 28.644 28.738 -0.105 0.000 1.396 456 Q HN 0.462 nan 8.270 nan 0.000 0.485 457 I N 2.072 122.217 120.570 -0.708 0.000 2.182 457 I HA -0.404 3.766 4.170 -0.001 0.000 0.248 457 I C 1.628 177.298 176.117 -0.746 0.000 1.073 457 I CA 1.856 62.490 61.300 -1.110 0.000 1.335 457 I CB -0.325 37.434 38.000 -0.401 0.000 1.031 457 I HN 0.636 nan 8.210 nan 0.000 0.420 458 S N -0.752 114.726 115.700 -0.370 0.000 2.840 458 S HA 0.021 4.491 4.470 -0.001 0.000 0.235 458 S C 0.755 175.274 174.600 -0.135 0.000 0.968 458 S CA 0.005 58.096 58.200 -0.181 0.000 1.026 458 S CB -0.522 62.620 63.200 -0.097 0.000 0.788 458 S HN 0.623 nan 8.310 nan 0.000 0.487 459 N N -0.593 117.989 118.700 -0.197 0.000 2.036 459 N HA 0.174 4.914 4.740 -0.001 0.000 0.224 459 N C -0.926 174.637 175.510 0.090 0.000 1.381 459 N CA -0.248 52.770 53.050 -0.053 0.000 0.746 459 N CB 0.268 38.721 38.487 -0.058 0.000 1.213 459 N HN 0.132 nan 8.380 nan 0.000 0.524 460 F N 2.128 122.134 119.950 0.094 0.000 2.640 460 F HA 0.186 4.713 4.527 -0.000 0.000 0.329 460 F C -1.623 174.306 175.800 0.215 0.000 1.224 460 F CA -1.023 57.048 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 -1.118 176.320 177.300 0.230 0.000 1.231 461 P CA -0.188 63.200 63.100 0.481 0.000 0.790 461 P CB 0.882 32.697 31.700 0.191 0.000 0.951 462 V N 2.602 122.493 119.914 -0.037 0.000 2.459 462 V HA 0.180 4.300 4.120 -0.001 0.000 0.295 462 V C 1.193 177.132 176.094 -0.258 0.000 1.029 462 V CA -0.206 62.054 62.300 -0.067 0.000 0.874 462 V CB 1.633 33.445 31.823 -0.018 0.000 0.985 462 V HN 0.475 nan 8.190 nan 0.000 0.438 463 V N 1.012 120.865 119.914 -0.102 0.000 3.635 463 V HA 0.701 4.820 4.120 -0.001 0.000 0.266 463 V C 0.644 176.677 176.094 -0.102 0.000 1.316 463 V CA 0.770 62.988 62.300 -0.137 0.000 1.060 463 V CB 0.383 32.134 31.823 -0.120 0.000 0.820 463 V HN 0.920 nan 8.190 nan 0.000 0.447 464 G N -0.416 108.366 108.800 -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 -1.182 173.897 174.900 0.299 0.000 1.434 464 G CA -0.071 45.040 45.100 0.017 0.000 0.980 464 G HN 0.774 nan 8.290 nan 0.000 0.531 465 A N 0.895 123.945 122.820 0.383 0.000 2.356 465 A HA 0.988 5.308 4.320 -0.001 0.000 0.323 465 A C -0.354 177.510 177.584 0.467 0.000 1.119 465 A CA -0.582 51.747 52.037 0.487 0.000 0.790 465 A CB 2.020 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 1.272 121.714 120.200 0.405 0.000 2.388 466 E HA 0.377 4.727 4.350 -0.001 0.000 0.282 466 E C -1.989 174.742 176.600 0.218 0.000 1.026 466 E CA -0.790 55.809 56.400 0.333 0.000 0.820 466 E CB 0.980 30.970 29.700 0.484 0.000 1.226 466 E HN 0.499 nan 8.360 nan 0.000 0.432 467 L N 3.072 124.401 121.223 0.175 0.000 2.455 467 L HA 0.146 4.486 4.340 -0.001 0.000 0.272 467 L C -0.189 176.756 176.870 0.126 0.000 1.174 467 L CA -0.115 54.803 54.840 0.130 0.000 0.869 467 L CB 0.670 42.803 42.059 0.123 0.000 1.130 467 L HN 0.577 nan 8.230 nan 0.000 0.474 468 L N 8.860 130.133 121.223 0.083 0.000 2.597 468 L HA 0.215 4.555 4.340 -0.001 0.000 0.271 468 L C -1.768 175.152 176.870 0.084 0.000 1.157 468 L CA -1.455 53.425 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 -1.233 176.059 177.300 -0.012 0.000 0.876 469 P CA 0.639 63.767 63.100 0.048 0.000 0.944 469 P CB -0.475 31.255 31.700 0.051 0.000 1.605 470 V N 0.571 120.534 119.914 0.080 0.000 2.668 470 V HA 0.347 4.466 4.120 -0.001 0.000 0.304 470 V C -0.023 176.259 176.094 0.313 0.000 1.071 470 V CA -0.724 61.621 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 -0.364 174.971 175.328 0.013 0.000 1.207 471 H CA -0.956 55.099 56.048 0.013 0.000 1.217 471 H CB 2.308 32.080 29.762 0.017 0.000 1.874 471 H HN 0.654 nan 8.280 nan 0.000 0.581 472 S N 1.584 117.369 115.700 0.141 0.000 2.566 472 S HA 0.289 4.759 4.470 -0.001 0.000 0.324 472 S C -0.438 174.202 174.600 0.066 0.000 1.081 472 S CA -1.077 57.175 58.200 0.086 0.000 1.105 472 S CB 1.242 64.468 63.200 0.044 0.000 0.981 472 S HN 0.345 nan 8.310 nan 0.000 0.464 473 K N 2.110 122.564 120.400 0.090 0.000 2.185 473 K HA 0.475 4.794 4.320 -0.001 0.000 0.271 473 K C -0.336 176.241 176.600 -0.038 0.000 1.013 473 K CA -0.195 56.082 56.287 -0.017 0.000 0.943 473 K CB 1.528 34.045 32.500 0.029 0.000 0.998 473 K HN 0.718 nan 8.250 nan 0.000 0.468 474 S N 2.381 117.908 115.700 -0.289 0.000 2.503 474 S HA 0.672 5.141 4.470 -0.001 0.000 0.301 474 S C -0.967 173.364 174.600 -0.449 0.000 1.087 474 S CA -0.671 57.435 58.200 -0.157 0.000 1.042 474 S CB 0.641 63.793 63.200 -0.079 0.000 1.043 474 S HN 0.336 nan 8.310 nan 0.000 0.489 475 F N 0.978 120.951 119.950 0.039 0.000 2.588 475 F HA 0.421 4.948 4.527 -0.001 0.000 0.314 475 F C -0.571 175.292 175.800 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 39.872 39.000 0.030 0.000 1.260 475 F HN 0.543 nan 8.300 nan 0.000 0.465 476 Y N 2.123 122.523 120.300 0.167 0.000 2.359 476 Y HA 0.345 4.895 4.550 -0.001 0.000 0.334 476 Y C -0.244 175.704 175.900 0.079 0.000 1.058 476 Y CA -1.001 57.151 58.100 0.086 0.000 1.244 476 Y CB 0.406 38.896 38.460 0.050 0.000 1.187 476 Y HN 0.534 nan 8.280 nan 0.000 0.510 477 N N 5.360 123.758 118.700 -0.504 0.000 2.437 477 N HA 0.110 4.849 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 -0.013 52.757 53.050 -0.467 0.000 0.940 477 N CB 0.530 38.887 38.487 -0.217 0.000 1.133 477 N HN 0.684 nan 8.380 nan 0.000 0.506 478 D N 1.297 121.416 120.400 -0.469 0.000 2.183 478 D HA -0.134 4.506 4.640 -0.001 0.000 0.205 478 D C 1.057 177.291 176.300 -0.109 0.000 0.962 478 D CA 0.633 54.454 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 0.790 120.543 119.800 -0.079 0.000 2.576 479 Q HA -0.102 4.238 4.340 -0.001 0.000 0.218 479 Q C 1.564 177.648 176.000 0.140 0.000 0.983 479 Q CA 0.452 56.319 55.803 0.106 0.000 0.920 479 Q CB 0.090 28.838 28.738 0.018 0.000 0.973 479 Q HN 0.134 nan 8.270 nan 0.000 0.528 480 A N -0.027 122.793 122.820 -0.001 0.000 1.845 480 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 480 A C 1.977 179.564 177.584 0.005 0.000 1.195 480 A CA 1.709 53.733 52.037 -0.022 0.000 0.616 480 A CB -0.843 18.115 19.000 -0.070 0.000 0.832 480 A HN 0.383 nan 8.150 nan 0.000 0.443 481 V N -1.131 118.796 119.914 0.021 0.000 2.685 481 V HA -0.068 4.052 4.120 -0.001 0.000 0.244 481 V C 2.260 178.346 176.094 -0.014 0.000 1.054 481 V CA 1.587 63.891 62.300 0.008 0.000 1.076 481 V CB -0.729 31.109 31.823 0.025 0.000 0.725 481 V HN 0.713 nan 8.190 nan 0.000 0.467 482 Y N 2.441 122.732 120.300 -0.015 0.000 2.172 482 Y HA -0.347 4.202 4.550 -0.001 0.000 0.280 482 Y C 2.431 178.335 175.900 0.008 0.000 1.209 482 Y CA 2.576 60.672 58.100 -0.006 0.000 1.171 482 Y CB -1.037 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 -0.651 114.498 115.700 -0.917 0.000 2.489 483 S HA -0.163 4.306 4.470 -0.001 0.000 0.228 483 S C 1.847 176.231 174.600 -0.361 0.000 0.995 483 S CA 0.743 58.431 58.200 -0.854 0.000 0.934 483 S CB -0.457 62.480 63.200 -0.439 0.000 0.771 483 S HN 0.781 nan 8.310 nan 0.000 0.522 484 Q N 0.590 120.265 119.800 -0.209 0.000 2.472 484 Q HA 0.222 4.562 4.340 -0.001 0.000 0.208 484 Q C 0.555 176.531 176.000 -0.040 0.000 0.958 484 Q CA 0.500 56.248 55.803 -0.090 0.000 0.932 484 Q CB -0.042 28.670 28.738 -0.043 0.000 1.007 484 Q HN 0.601 nan 8.270 nan 0.000 0.508 485 L N 0.739 121.928 121.223 -0.058 0.000 3.141 485 L HA 0.341 4.681 4.340 -0.001 0.000 0.263 485 L C 0.536 177.471 176.870 0.108 0.000 1.312 485 L CA -0.020 54.876 54.840 0.094 0.000 1.012 485 L CB 0.502 42.608 42.059 0.079 0.000 1.408 485 L HN 0.225 nan 8.230 nan 0.000 0.559 486 I N -0.768 119.835 120.570 0.054 0.000 5.285 486 I HA -0.040 4.130 4.170 -0.001 0.000 0.351 486 I C 1.867 178.023 176.117 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 0.322 nan 8.210 nan 0.000 0.585 487 R N 1.134 121.635 120.500 0.000 0.000 2.362 487 R HA 0.144 4.484 4.340 -0.001 0.000 0.227 487 R C 1.544 177.832 176.300 -0.020 0.000 0.905 487 R CA 0.280 56.371 56.100 -0.015 0.000 1.067 487 R CB 0.024 30.296 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 -0.629 175.151 176.000 -0.366 0.000 0.919 488 Q CA 0.379 56.081 55.803 -0.168 0.000 0.923 488 Q CB 0.403 29.038 28.738 -0.172 0.000 1.048 488 Q HN 0.312 nan 8.270 nan 0.000 0.515 489 F N 1.405 121.339 119.950 -0.028 0.000 2.371 489 F HA 0.285 4.811 4.527 -0.001 0.000 0.343 489 F C -0.178 175.610 175.800 -0.019 0.000 1.150 489 F CA -0.708 57.281 58.000 -0.018 0.000 1.220 489 F CB 0.966 39.956 39.000 -0.016 0.000 1.475 489 F HN -0.231 nan 8.300 nan 0.000 0.521 490 T N 1.925 116.513 114.554 0.056 0.000 2.828 490 T HA 0.214 4.563 4.350 -0.001 0.000 0.282 490 T C 0.234 174.965 174.700 0.053 0.000 1.031 490 T CA 0.748 62.870 62.100 0.037 0.000 1.136 490 T CB 0.074 68.950 68.868 0.013 0.000 1.057 490 T HN 0.705 nan 8.240 nan 0.000 0.499 491 S N 1.607 117.325 115.700 0.030 0.000 2.643 491 S HA 0.482 4.952 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 0.443 63.665 63.200 0.037 0.000 1.107 491 S HN 0.576 nan 8.310 nan 0.000 0.471 492 L N 0.859 122.091 121.223 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 0.447 55.295 54.840 0.014 0.000 0.827 492 L CB -0.334 41.747 42.059 0.036 0.000 1.044 492 L HN 0.872 nan 8.230 nan 0.000 0.599 493 T N -1.899 112.660 114.554 0.008 0.000 2.906 493 T HA 0.407 4.757 4.350 -0.001 0.000 0.295 493 T C -0.689 174.070 174.700 0.099 0.000 1.075 493 T CA -0.751 61.343 62.100 -0.010 0.000 1.005 493 T CB 1.408 70.257 68.868 -0.032 0.000 1.136 493 T HN 0.434 nan 8.240 nan 0.000 0.498 494 H N -0.111 118.941 119.070 -0.031 0.000 2.508 494 H HA 0.307 4.862 4.556 -0.001 0.000 0.344 494 H C 1.494 176.708 175.328 -0.190 0.000 1.192 494 H CA -0.984 55.001 56.048 -0.105 0.000 1.290 494 H CB 1.290 31.041 29.762 -0.019 0.000 1.571 494 H HN 0.416 nan 8.280 nan 0.000 0.555 495 V N -0.749 119.003 119.914 -0.270 0.000 3.330 495 V HA -0.157 3.963 4.120 -0.001 0.000 0.273 495 V C 0.965 176.923 176.094 -0.228 0.000 1.179 495 V CA 1.425 63.538 62.300 -0.312 0.000 1.174 495 V CB -1.289 30.264 31.823 -0.449 0.000 0.794 495 V HN 0.613 nan 8.190 nan 0.000 0.527 496 F N -0.141 119.878 119.950 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 0.115 39.190 39.000 0.125 0.000 1.123 496 F HN 0.234 nan 8.300 nan 0.000 0.564 497 N N 0.739 119.576 118.700 0.228 0.000 3.025 497 N HA 0.142 4.881 4.740 -0.001 0.000 0.315 497 N C 0.504 176.016 175.510 0.003 0.000 1.511 497 N CA -0.059 53.075 53.050 0.140 0.000 1.097 497 N CB -0.072 38.467 38.487 0.087 0.000 1.395 497 N HN 0.045 nan 8.380 nan 0.000 0.511 498 R N -0.070 120.355 120.500 -0.124 0.000 2.346 498 R HA 0.052 4.391 4.340 -0.001 0.000 0.199 498 R C -0.328 175.342 176.300 -1.049 0.000 1.015 498 R CA 0.750 56.486 56.100 -0.606 0.000 1.058 498 R CB -0.009 29.779 30.300 -0.854 0.000 0.921 498 R HN 0.267 nan 8.270 nan 0.000 0.475 499 F N -1.898 118.085 119.950 0.056 0.000 2.505 499 F HA 0.295 4.822 4.527 -0.001 0.000 0.383 499 F C -1.944 173.896 175.800 0.067 0.000 1.509 499 F CA -2.048 55.986 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 0.940 178.318 177.300 0.130 0.000 1.161 500 P CA 1.761 64.924 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 -0.813 119.467 120.200 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 0.093 56.578 56.400 0.141 0.000 1.716 501 E CB -1.379 28.384 29.700 0.105 0.000 1.450 501 E HN 0.304 nan 8.360 nan 0.000 0.484 502 N N 0.908 119.750 118.700 0.236 0.000 2.075 502 N HA -0.078 4.661 4.740 -0.001 0.000 0.226 502 N C 0.147 175.822 175.510 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 4.138 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 1.560 57.563 55.803 0.333 0.000 1.411 503 Q CB -1.247 27.731 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 1.240 177.326 176.117 -0.052 0.000 1.146 504 I CA -0.082 61.215 61.300 -0.006 0.000 1.324 504 I CB 0.210 38.105 38.000 -0.174 0.000 1.638 504 I HN -0.041 nan 8.210 nan 0.000 0.436 505 L N 1.717 122.900 121.223 -0.066 0.000 2.645 505 L HA 0.223 4.563 4.340 -0.001 0.000 0.235 505 L C 1.551 178.480 176.870 0.100 0.000 1.150 505 L CA -0.148 54.613 54.840 -0.131 0.000 0.911 505 L CB -0.862 40.932 42.059 -0.441 0.000 1.077 505 L HN 0.190 nan 8.230 nan 0.000 0.438 506 A N 1.195 124.102 122.820 0.144 0.000 2.464 506 A HA 0.030 4.350 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 0.420 52.566 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 -0.259 120.320 120.500 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 1.217 31.579 30.300 0.104 0.000 1.174 507 R HN 0.353 nan 8.270 nan 0.000 0.455 508 P HA -0.008 nan 4.420 nan 0.000 0.263 508 P C -2.499 174.795 177.300 -0.010 0.000 1.168 508 P CA -0.512 62.602 63.100 0.023 0.000 0.759 508 P CB 0.140 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 -0.571 176.694 177.300 -0.059 0.000 1.204 509 P CA 0.135 63.210 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 5.823 128.612 122.820 -0.053 0.000 2.451 510 A HA 0.359 4.678 4.320 -0.001 0.000 0.266 510 A C -1.874 175.663 177.584 -0.077 0.000 1.119 510 A CA -1.075 50.925 52.037 -0.061 0.000 0.786 510 A CB -0.823 18.153 19.000 -0.039 0.000 1.061 510 A HN 0.406 nan 8.150 nan 0.000 0.503 511 P HA 0.201 nan 4.420 nan 0.000 0.275 511 P C -0.031 177.226 177.300 -0.071 0.000 1.228 511 P CA -0.055 62.986 63.100 -0.098 0.000 0.786 511 P CB 0.672 32.313 31.700 -0.099 0.000 0.927 512 T N -0.185 114.334 114.554 -0.058 0.000 2.919 512 T HA 0.355 4.704 4.350 -0.001 0.000 0.302 512 T C 0.519 175.248 174.700 0.048 0.000 1.031 512 T CA -0.427 61.665 62.100 -0.012 0.000 1.127 512 T CB -0.375 68.558 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 0.779 176.940 176.117 0.074 0.000 1.830 513 I CA 0.636 62.011 61.300 0.125 0.000 2.037 513 I CB -2.117 35.948 38.000 0.108 0.000 3.544 513 I HN 1.119 nan 8.210 nan 0.000 0.169 514 T N 1.040 115.653 114.554 0.098 0.000 2.934 514 T HA 0.918 5.268 4.350 -0.001 0.000 0.283 514 T C 0.366 175.156 174.700 0.150 0.000 1.005 514 T CA -0.157 61.986 62.100 0.072 0.000 1.041 514 T CB 1.992 70.879 68.868 0.031 0.000 1.042 514 T HN 0.634 nan 8.240 nan 0.000 0.505 515 T N -1.386 113.228 114.554 0.101 0.000 2.932 515 T HA 0.728 5.077 4.350 -0.001 0.000 0.289 515 T C -0.798 173.976 174.700 0.123 0.000 1.039 515 T CA -0.834 61.346 62.100 0.133 0.000 1.024 515 T CB 1.487 70.390 68.868 0.058 0.000 1.090 515 T HN 0.614 nan 8.240 nan 0.000 0.496 516 V N 1.304 121.318 119.914 0.166 0.000 2.668 516 V HA 0.511 4.631 4.120 -0.001 0.000 0.304 516 V C 0.234 176.384 176.094 0.093 0.000 1.071 516 V CA -1.023 61.343 62.300 0.110 0.000 0.894 516 V CB 1.961 33.845 31.823 0.102 0.000 1.008 516 V HN 1.152 nan 8.190 nan 0.000 0.425 517 S N 3.734 119.456 115.700 0.037 0.000 2.525 517 S HA 0.204 4.673 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 0.176 58.387 58.200 0.019 0.000 1.072 517 S CB 0.154 63.336 63.200 -0.030 0.000 0.867 517 S HN 0.838 nan 8.310 nan 0.000 0.492 518 E N 4.087 124.310 120.200 0.037 0.000 2.256 518 E HA 0.267 4.617 4.350 -0.001 0.000 0.268 518 E C -0.944 175.648 176.600 -0.013 0.000 0.877 518 E CA -0.770 55.646 56.400 0.027 0.000 0.757 518 E CB 0.851 30.593 29.700 0.070 0.000 1.183 518 E HN 0.675 nan 8.360 nan 0.000 0.418 519 N N 2.263 120.946 118.700 -0.029 0.000 2.518 519 N HA 0.345 5.085 4.740 -0.001 0.000 0.283 519 N C -1.414 174.095 175.510 -0.001 0.000 1.119 519 N CA -0.063 52.956 53.050 -0.052 0.000 0.983 519 N CB 1.880 40.311 38.487 -0.093 0.000 1.139 519 N HN 0.247 nan 8.380 nan 0.000 0.465 520 V N 3.869 123.778 119.914 -0.009 0.000 2.932 520 V HA 0.460 4.579 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 -1.878 60.451 62.300 0.048 0.000 0.951 520 V CB 2.668 34.394 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 -1.015 176.339 177.300 0.091 0.000 1.216 521 P CA -0.111 63.080 63.100 0.152 0.000 0.771 521 P CB 1.348 32.964 31.700 -0.141 0.000 0.864 522 A N 5.107 128.004 122.820 0.129 0.000 2.328 522 A HA 0.398 4.718 4.320 -0.001 0.000 0.318 522 A C 0.216 177.865 177.584 0.108 0.000 1.347 522 A CA -0.748 51.357 52.037 0.113 0.000 0.842 522 A CB -0.026 19.062 19.000 0.147 0.000 1.148 522 A HN 0.519 nan 8.150 nan 0.000 0.499 523 L N 3.313 124.574 121.223 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 -0.088 54.775 54.840 0.038 0.000 1.093 523 L CB -0.036 42.034 42.059 0.018 0.000 1.349 523 L HN 0.772 nan 8.230 nan 0.000 0.427 524 T N 0.535 115.095 114.554 0.009 0.000 2.814 524 T HA 0.210 4.559 4.350 -0.001 0.000 0.284 524 T C -0.602 173.971 174.700 -0.212 0.000 0.998 524 T CA -0.395 61.654 62.100 -0.084 0.000 0.935 524 T CB 1.249 70.074 68.868 -0.072 0.000 1.167 524 T HN 0.549 nan 8.240 nan 0.000 0.545 525 D N 0.611 120.789 120.400 -0.370 0.000 2.452 525 D HA 0.155 4.795 4.640 -0.001 0.000 0.226 525 D C -0.891 175.140 176.300 -0.448 0.000 1.366 525 D CA -0.425 53.362 54.000 -0.355 0.000 0.986 525 D CB 0.485 41.190 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 0.432 4.988 4.556 -0.001 0.000 0.365 526 H C 1.323 176.614 175.328 -0.063 0.000 1.268 526 H CA -0.075 55.930 56.048 -0.072 0.000 1.400 526 H CB 0.762 30.450 29.762 -0.123 0.000 1.538 526 H HN 0.476 nan 8.280 nan 0.000 0.597 527 G N -0.346 108.491 108.800 0.062 0.000 2.394 527 G HA2 0.018 3.978 3.960 -0.001 0.000 0.256 527 G HA3 0.018 3.978 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 0.208 45.318 45.100 0.016 0.000 1.051 527 G HN 0.585 nan 8.290 nan 0.000 0.550 528 T N -0.336 114.216 114.554 -0.003 0.000 2.786 528 T HA 0.604 4.954 4.350 -0.001 0.000 0.283 528 T C -0.320 174.374 174.700 -0.010 0.000 0.992 528 T CA -0.722 61.375 62.100 -0.006 0.000 0.954 528 T CB 0.301 69.167 68.868 -0.003 0.000 0.934 528 T HN 0.329 nan 8.240 nan 0.000 0.440 529 L N 5.500 126.715 121.223 -0.014 0.000 2.322 529 L HA 0.635 4.975 4.340 -0.001 0.000 0.269 529 L C -2.366 174.502 176.870 -0.003 0.000 1.012 529 L CA -2.933 51.893 54.840 -0.023 0.000 0.815 529 L CB 2.131 44.163 42.059 -0.046 0.000 1.295 529 L HN 0.452 nan 8.230 nan 0.000 0.438 530 P HA 0.358 nan 4.420 nan 0.000 0.280 530 P C -1.388 175.927 177.300 0.025 0.000 1.244 530 P CA -0.361 62.754 63.100 0.025 0.000 0.784 530 P CB 0.975 32.678 31.700 0.004 0.000 0.913 531 L N 0.505 121.766 121.223 0.063 0.000 2.327 531 L HA 0.689 5.028 4.340 -0.001 0.000 0.258 531 L C 0.042 176.939 176.870 0.047 0.000 1.024 531 L CA -1.278 53.579 54.840 0.029 0.000 0.825 531 L CB 0.847 42.905 42.059 -0.002 0.000 1.386 531 L HN 0.149 nan 8.230 nan 0.000 0.417 532 R N 0.324 120.825 120.500 0.003 0.000 2.738 532 R HA 0.234 4.574 4.340 -0.001 0.000 0.268 532 R C -0.394 175.888 176.300 -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 -0.625 118.058 118.700 -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 -0.172 52.821 53.050 -0.096 0.000 0.838 533 N CB 0.783 39.259 38.487 -0.018 0.000 0.994 533 N HN 0.442 nan 8.380 nan 0.000 0.489 534 S N 0.097 115.743 115.700 -0.091 0.000 2.279 534 S HA 0.397 4.867 4.470 -0.001 0.000 0.176 534 S C -0.382 174.170 174.600 -0.080 0.000 1.554 534 S CA -0.765 57.384 58.200 -0.084 0.000 1.242 534 S CB -0.021 63.143 63.200 -0.060 0.000 1.163 534 S HN 0.087 nan 8.310 nan 0.000 0.449 535 I N 2.741 123.254 120.570 -0.096 0.000 2.436 535 I HA 0.302 4.472 4.170 -0.001 0.000 0.289 535 I C 1.282 177.362 176.117 -0.062 0.000 1.083 535 I CA -0.253 60.996 61.300 -0.084 0.000 1.372 535 I CB 0.413 38.350 38.000 -0.104 0.000 1.408 535 I HN 0.734 nan 8.210 nan 0.000 0.516 536 G N 4.089 112.855 108.800 -0.056 0.000 2.491 536 G HA2 0.181 4.141 3.960 -0.001 0.000 0.238 536 G HA3 0.181 4.141 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 -0.053 45.022 45.100 -0.043 0.000 0.851 536 G HN 0.904 nan 8.290 nan 0.000 0.573 537 G N -0.081 108.708 108.800 -0.019 0.000 2.475 537 G HA2 0.037 3.996 3.960 -0.001 0.000 0.220 537 G HA3 0.037 3.996 3.960 -0.001 0.000 0.220 537 G C 0.766 175.666 174.900 -0.000 0.000 1.125 537 G CA 1.515 46.614 45.100 -0.002 0.000 0.755 537 G HN 1.456 nan 8.290 nan 0.000 0.565 538 V N -2.361 117.547 119.914 -0.009 0.000 2.407 538 V HA 0.623 4.743 4.120 -0.001 0.000 0.291 538 V C -1.029 175.046 176.094 -0.031 0.000 1.018 538 V CA -1.367 60.929 62.300 -0.006 0.000 0.842 538 V CB 1.670 33.497 31.823 0.006 0.000 0.996 538 V HN 0.001 nan 8.190 nan 0.000 0.426 539 Q N 3.096 122.870 119.800 -0.043 0.000 2.205 539 Q HA 0.586 4.926 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 -0.506 55.248 55.803 -0.081 0.000 0.895 539 Q CB 2.611 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 0.282 120.686 120.500 -0.160 0.000 2.437 540 R HA 0.568 4.908 4.340 -0.001 0.000 0.310 540 R C -1.314 174.830 176.300 -0.260 0.000 0.955 540 R CA -0.383 55.595 56.100 -0.203 0.000 0.851 540 R CB 1.046 31.252 30.300 -0.156 0.000 1.161 540 R HN 0.349 nan 8.270 nan 0.000 0.446 541 V N 3.188 122.840 119.914 -0.436 0.000 2.612 541 V HA 0.575 4.695 4.120 -0.001 0.000 0.301 541 V C -0.312 175.668 176.094 -0.189 0.000 1.046 541 V CA -0.455 61.624 62.300 -0.369 0.000 0.946 541 V CB 2.070 33.461 31.823 -0.720 0.000 1.003 541 V HN 0.881 nan 8.190 nan 0.000 0.459 542 T N 4.910 119.483 114.554 0.032 0.000 3.483 542 T HA 0.486 4.835 4.350 -0.001 0.000 0.329 542 T C -0.776 173.968 174.700 0.074 0.000 1.014 542 T CA -0.208 61.963 62.100 0.117 0.000 1.056 542 T CB 0.721 69.751 68.868 0.271 0.000 1.090 542 T HN 0.385 nan 8.240 nan 0.000 0.460 543 I N 3.285 123.836 120.570 -0.032 0.000 2.359 543 I HA 0.521 4.691 4.170 -0.001 0.000 0.294 543 I C 0.336 176.422 176.117 -0.051 0.000 0.987 543 I CA -0.461 60.717 61.300 -0.203 0.000 1.225 543 I CB 1.799 39.555 38.000 -0.407 0.000 1.366 543 I HN 0.512 nan 8.210 nan 0.000 0.466 544 T N 3.500 118.042 114.554 -0.019 0.000 2.916 544 T HA 0.337 4.687 4.350 -0.001 0.000 0.292 544 T C -0.748 173.920 174.700 -0.054 0.000 1.064 544 T CA -0.780 61.343 62.100 0.037 0.000 1.011 544 T CB 2.118 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 0.022 120.401 120.400 -0.036 0.000 2.442 545 D HA 0.495 5.135 4.640 -0.001 0.000 0.254 545 D C 1.478 177.653 176.300 -0.208 0.000 1.069 545 D CA -0.593 53.335 54.000 -0.121 0.000 1.017 545 D CB 1.186 42.004 40.800 0.030 0.000 1.172 545 D HN 0.510 nan 8.370 nan 0.000 0.561 546 A N 0.756 123.430 122.820 -0.242 0.000 1.940 546 A HA -0.268 4.051 4.320 -0.001 0.000 0.221 546 A C 2.145 179.723 177.584 -0.009 0.000 1.190 546 A CA 1.644 53.582 52.037 -0.165 0.000 0.647 546 A CB -0.650 18.304 19.000 -0.076 0.000 0.821 546 A HN 0.636 nan 8.150 nan 0.000 0.457 547 R N -2.140 118.355 120.500 -0.009 0.000 2.275 547 R HA 0.040 4.380 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 0.183 56.291 56.100 0.014 0.000 1.016 547 R CB 0.147 30.443 30.300 -0.008 0.000 0.918 547 R HN 0.355 nan 8.270 nan 0.000 0.473 548 R N 0.792 121.319 120.500 0.046 0.000 2.534 548 R HA -0.114 4.225 4.340 -0.001 0.000 0.330 548 R C -1.019 175.308 176.300 0.045 0.000 1.000 548 R CA 0.590 56.732 56.100 0.071 0.000 0.702 548 R CB -1.647 28.699 30.300 0.078 0.000 2.044 548 R HN 0.574 nan 8.270 nan 0.000 0.463 549 R N -2.185 118.353 120.500 0.064 0.000 2.687 549 R HA 0.370 4.709 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 -0.589 55.560 56.100 0.082 0.000 0.884 549 R CB 0.549 30.900 30.300 0.084 0.000 1.258 549 R HN 0.246 nan 8.270 nan 0.000 0.469 550 T N -1.656 112.968 114.554 0.116 0.000 2.724 550 T HA 0.117 4.467 4.350 -0.001 0.000 0.324 550 T C 0.174 174.962 174.700 0.147 0.000 1.071 550 T CA -0.298 61.861 62.100 0.098 0.000 1.061 550 T CB 0.851 69.755 68.868 0.059 0.000 0.990 550 T HN 0.693 nan 8.240 nan 0.000 0.543 551 C N 4.498 123.823 119.300 0.041 0.000 2.437 551 C HA 0.540 5.000 4.460 -0.001 0.000 0.307 551 C C -1.412 173.438 174.990 -0.234 0.000 1.093 551 C CA -1.738 57.247 59.018 -0.055 0.000 1.463 551 C CB 0.016 27.785 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 0.224 177.193 177.300 -0.551 0.000 1.152 552 P CA 1.736 64.490 63.100 -0.577 0.000 0.857 552 P CB -0.107 31.059 31.700 -0.889 0.000 0.787 553 Y N -1.557 118.572 120.300 -0.286 0.000 2.550 553 Y HA 0.136 4.685 4.550 -0.001 0.000 0.351 553 Y C 0.539 176.375 175.900 -0.106 0.000 1.160 553 Y CA -0.413 57.576 58.100 -0.184 0.000 1.337 553 Y CB -0.692 37.648 38.460 -0.200 0.000 1.196 553 Y HN -0.247 nan 8.280 nan 0.000 0.498 554 V N 0.654 120.573 119.914 0.009 0.000 2.347 554 V HA 0.012 4.131 4.120 -0.001 0.000 0.280 554 V C 0.360 176.534 176.094 0.133 0.000 1.021 554 V CA -0.783 61.543 62.300 0.043 0.000 0.847 554 V CB 0.724 32.556 31.823 0.015 0.000 0.990 554 V HN 0.343 nan 8.190 nan 0.000 0.444 555 Y N 5.110 125.401 120.300 -0.015 0.000 2.347 555 Y HA 0.344 4.893 4.550 -0.000 0.000 0.294 555 Y C 0.878 176.662 175.900 -0.193 0.000 1.117 555 Y CA 0.595 58.712 58.100 0.028 0.000 1.184 555 Y CB 0.387 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 0.477 120.646 120.400 -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 -0.480 55.469 56.287 -0.563 0.000 0.806 556 K CB 1.619 33.734 32.500 -0.643 0.000 1.289 556 K HN 0.061 nan 8.250 nan 0.000 0.435 557 A N 4.562 127.285 122.820 -0.162 0.000 2.355 557 A HA 0.800 5.120 4.320 -0.001 0.000 0.317 557 A C -1.517 176.195 177.584 0.213 0.000 1.094 557 A CA -0.714 51.434 52.037 0.185 0.000 0.764 557 A CB 0.909 20.100 19.000 0.319 0.000 1.230 557 A HN 0.628 nan 8.150 nan 0.000 0.448 558 L N 2.006 123.404 121.223 0.292 0.000 2.464 558 L HA 0.676 5.016 4.340 -0.001 0.000 0.266 558 L C 0.037 176.990 176.870 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 4.179 113.049 108.800 0.117 0.000 2.566 559 G HA2 0.744 4.704 3.960 -0.001 0.000 0.311 559 G HA3 0.744 4.704 3.960 -0.001 0.000 0.311 559 G C -1.223 173.691 174.900 0.023 0.000 1.322 559 G CA -0.350 44.751 45.100 0.003 0.000 0.969 559 G HN 0.413 nan 8.290 nan 0.000 0.490 560 I N 1.853 122.403 120.570 -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 2.297 40.282 38.000 -0.025 0.000 1.266 560 I HN 0.064 nan 8.210 nan 0.000 0.434 561 V N 4.517 124.317 119.914 -0.190 0.000 2.555 561 V HA 0.423 4.543 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 61.711 62.300 -0.153 0.000 0.887 561 V CB 2.091 33.833 31.823 -0.135 0.000 0.991 561 V HN 0.784 nan 8.190 nan 0.000 0.434 562 S N 5.775 121.412 115.700 -0.106 0.000 2.406 562 S HA 0.388 4.857 4.470 -0.001 0.000 0.224 562 S C -2.560 172.033 174.600 -0.013 0.000 1.426 562 S CA -1.103 57.051 58.200 -0.076 0.000 1.179 562 S CB 0.875 64.043 63.200 -0.052 0.000 1.042 562 S HN 0.649 nan 8.310 nan 0.000 0.479 563 P HA 0.271 nan 4.420 nan 0.000 0.272 563 P C -0.576 176.883 177.300 0.266 0.000 1.223 563 P CA -0.334 62.828 63.100 0.103 0.000 0.784 563 P CB 0.579 32.258 31.700 -0.036 0.000 0.923 564 R N 0.159 120.917 120.500 0.430 0.000 2.604 564 R HA 0.446 4.786 4.340 -0.001 0.000 0.261 564 R C -1.231 175.101 176.300 0.053 0.000 1.080 564 R CA -1.093 55.200 56.100 0.321 0.000 0.917 564 R CB 0.601 30.974 30.300 0.121 0.000 1.252 564 R HN 0.212 nan 8.270 nan 0.000 0.456 565 V N 4.149 123.769 119.914 -0.490 0.000 2.788 565 V HA 0.049 4.169 4.120 -0.001 0.000 0.307 565 V C 0.260 176.143 176.094 -0.350 0.000 1.069 565 V CA 0.516 62.320 62.300 -0.827 0.000 1.173 565 V CB 0.508 31.802 31.823 -0.882 0.000 0.925 565 V HN 0.856 nan 8.190 nan 0.000 0.492 566 L N 4.728 125.776 121.223 -0.291 0.000 2.624 566 L HA 0.349 4.689 4.340 -0.001 0.000 0.222 566 L C 0.869 177.679 176.870 -0.100 0.000 1.046 566 L CA 0.796 55.557 54.840 -0.132 0.000 0.872 566 L CB 0.691 42.715 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 1.778 65.000 63.200 0.037 0.000 1.240 567 S HN -0.112 nan 8.310 nan 0.000 0.525 568 S N -0.381 115.332 115.700 0.022 0.000 2.542 568 S HA 0.580 5.050 4.470 -0.001 0.000 0.293 568 S C 0.067 174.661 174.600 -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 0.891 121.320 120.500 -0.118 0.000 2.362 569 R HA 0.371 4.710 4.340 -0.001 0.000 0.227 569 R C 0.688 176.961 176.300 -0.045 0.000 0.905 569 R CA 0.578 56.610 56.100 -0.114 0.000 1.067 569 R CB 0.252 30.399 30.300 -0.254 0.000 1.078 569 R HN 0.868 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