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_D 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 1.335 176.287 174.900 0.086 0.000 0.965 50 G CA 1.952 47.078 45.100 0.043 0.000 0.846 50 G HN 1.213 nan 8.290 nan 0.000 1.096 51 G N -0.633 108.207 108.800 0.065 0.000 2.939 51 G HA2 0.233 4.193 3.960 -0.001 0.000 0.210 51 G HA3 0.233 4.193 3.960 -0.001 0.000 0.210 51 G C 1.603 176.550 174.900 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 0.775 121.303 120.500 0.046 0.000 2.323 52 R HA 0.121 4.461 4.340 -0.001 0.000 0.198 52 R C 1.572 177.914 176.300 0.070 0.000 0.988 52 R CA 0.299 56.410 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 1.526 120.303 118.700 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 1.157 54.346 53.050 0.232 0.000 0.853 53 N CB -0.789 37.866 38.487 0.280 0.000 1.035 53 N HN 0.140 nan 8.380 nan 0.000 0.440 54 S N 0.989 116.577 115.700 -0.186 0.000 4.684 54 S HA -0.207 4.263 4.470 -0.001 0.000 0.558 54 S C 0.065 174.533 174.600 -0.220 0.000 0.881 54 S CA 0.113 58.054 58.200 -0.432 0.000 1.166 54 S CB -1.444 61.591 63.200 -0.275 0.000 2.091 54 S HN 0.283 nan 8.310 nan 0.000 0.346 55 I N 4.513 124.902 120.570 -0.303 0.000 2.354 55 I HA 0.405 4.575 4.170 -0.001 0.000 0.286 55 I C 0.710 176.702 176.117 -0.207 0.000 1.007 55 I CA -0.613 60.513 61.300 -0.290 0.000 1.167 55 I CB 1.184 39.008 38.000 -0.292 0.000 1.320 55 I HN 0.645 nan 8.210 nan 0.000 0.458 56 R N 5.039 125.444 120.500 -0.158 0.000 2.732 56 R HA 0.626 4.966 4.340 -0.001 0.000 0.278 56 R C -1.409 174.898 176.300 0.012 0.000 0.976 56 R CA -0.877 55.177 56.100 -0.076 0.000 0.963 56 R CB 2.623 32.871 30.300 -0.086 0.000 1.150 56 R HN 0.422 nan 8.270 nan 0.000 0.478 57 Y N -0.110 120.130 120.300 -0.099 0.000 2.638 57 Y HA 0.261 4.810 4.550 -0.001 0.000 0.339 57 Y C -0.320 175.538 175.900 -0.069 0.000 1.084 57 Y CA -0.985 57.063 58.100 -0.088 0.000 1.068 57 Y CB 1.990 40.407 38.460 -0.072 0.000 1.294 57 Y HN 0.687 nan 8.280 nan 0.000 0.480 58 S N 2.408 117.481 115.700 -1.045 0.000 2.544 58 S HA 0.028 4.498 4.470 -0.001 0.000 0.290 58 S C 0.529 174.961 174.600 -0.280 0.000 1.276 58 S CA 0.804 58.629 58.200 -0.626 0.000 1.075 58 S CB -0.199 62.554 63.200 -0.744 0.000 0.849 58 S HN 0.890 nan 8.310 nan 0.000 0.494 59 E N 0.929 121.057 120.200 -0.119 0.000 3.340 59 E HA -0.301 4.048 4.350 -0.001 0.000 0.246 59 E C 0.985 177.623 176.600 0.063 0.000 0.762 59 E CA 1.375 57.767 56.400 -0.013 0.000 0.783 59 E CB -1.035 28.666 29.700 0.003 0.000 1.409 59 E HN 0.718 nan 8.360 nan 0.000 0.449 60 L N -0.391 120.921 121.223 0.148 0.000 2.642 60 L HA 0.024 4.364 4.340 -0.001 0.000 0.236 60 L C 0.489 177.437 176.870 0.130 0.000 1.169 60 L CA 1.472 56.433 54.840 0.201 0.000 0.851 60 L CB -0.378 41.900 42.059 0.364 0.000 0.968 60 L HN 0.318 nan 8.230 nan 0.000 0.453 61 A N -2.599 120.279 122.820 0.096 0.000 2.437 61 A HA -0.002 4.318 4.320 -0.001 0.000 0.686 61 A C -2.427 175.196 177.584 0.065 0.000 0.140 61 A CA -0.460 51.624 52.037 0.078 0.000 0.026 61 A CB -2.008 17.042 19.000 0.083 0.000 3.974 61 A HN 0.154 nan 8.150 nan 0.000 0.548 62 P HA 0.592 nan 4.420 nan 0.000 0.276 62 P C -0.818 176.513 177.300 0.052 0.000 1.235 62 P CA -0.164 62.936 63.100 -0.000 0.000 0.772 62 P CB 0.687 32.450 31.700 0.106 0.000 0.871 63 L N 4.329 125.499 121.223 -0.088 0.000 2.346 63 L HA 0.592 4.931 4.340 -0.001 0.000 0.274 63 L C -1.225 175.581 176.870 -0.107 0.000 1.007 63 L CA -0.402 54.454 54.840 0.026 0.000 0.818 63 L CB 0.872 42.922 42.059 -0.014 0.000 1.284 63 L HN 0.182 nan 8.230 nan 0.000 0.424 64 F N 3.058 123.038 119.950 0.050 0.000 2.482 64 F HA 0.561 5.087 4.527 -0.001 0.000 0.331 64 F C -0.035 175.824 175.800 0.099 0.000 1.115 64 F CA -0.534 57.515 58.000 0.080 0.000 0.955 64 F CB 1.294 40.332 39.000 0.063 0.000 1.136 64 F HN 0.565 nan 8.300 nan 0.000 0.452 65 D N -0.522 120.060 120.400 0.302 0.000 9.601 65 D HA -0.224 4.416 4.640 -0.001 0.000 0.351 65 D C 0.044 176.485 176.300 0.235 0.000 2.917 65 D CA 0.514 54.680 54.000 0.277 0.000 2.218 65 D CB -0.411 40.504 40.800 0.192 0.000 1.166 65 D HN 0.615 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 0.424 175.163 174.700 0.065 0.000 1.052 66 T CA 1.797 63.986 62.100 0.149 0.000 1.131 66 T CB 0.199 69.127 68.868 0.099 0.000 1.082 66 T HN 0.585 nan 8.240 nan 0.000 0.511 67 T N 3.480 118.035 114.554 0.001 0.000 2.589 67 T HA 0.623 4.972 4.350 -0.001 0.000 0.261 67 T C -1.652 172.985 174.700 -0.106 0.000 0.936 67 T CA -0.803 61.272 62.100 -0.041 0.000 1.202 67 T CB 0.946 69.777 68.868 -0.061 0.000 1.576 67 T HN 0.670 nan 8.240 nan 0.000 0.464 68 R N 1.047 121.445 120.500 -0.170 0.000 2.522 68 R HA 0.582 4.921 4.340 -0.001 0.000 0.283 68 R C -1.259 174.764 176.300 -0.460 0.000 1.074 68 R CA -0.735 55.158 56.100 -0.344 0.000 0.925 68 R CB 1.978 32.008 30.300 -0.450 0.000 1.205 68 R HN 0.620 nan 8.270 nan 0.000 0.436 69 V N -0.056 119.586 119.914 -0.452 0.000 2.581 69 V HA 0.658 4.778 4.120 -0.001 0.000 0.303 69 V C -1.064 174.783 176.094 -0.412 0.000 1.041 69 V CA -0.814 61.292 62.300 -0.323 0.000 0.907 69 V CB 1.354 33.067 31.823 -0.184 0.000 0.994 69 V HN 0.596 nan 8.190 nan 0.000 0.442 70 Y N 3.583 123.860 120.300 -0.038 0.000 2.341 70 Y HA 0.667 5.216 4.550 -0.000 0.000 0.338 70 Y C -0.021 175.880 175.900 0.003 0.000 0.965 70 Y CA -0.896 57.194 58.100 -0.018 0.000 1.108 70 Y CB 1.972 40.425 38.460 -0.011 0.000 1.180 70 Y HN 0.543 nan 8.280 nan 0.000 0.458 71 L N 5.848 127.171 121.223 0.167 0.000 2.272 71 L HA 0.576 4.916 4.340 -0.001 0.000 0.284 71 L C -0.596 176.404 176.870 0.217 0.000 1.045 71 L CA -0.855 54.072 54.840 0.144 0.000 0.842 71 L CB 0.347 42.456 42.059 0.083 0.000 1.224 71 L HN 0.488 nan 8.230 nan 0.000 0.430 72 V N -0.370 119.681 119.914 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 0.204 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 3.556 124.012 120.400 0.092 0.000 2.202 73 D HA -0.124 4.516 4.640 -0.001 0.000 0.214 73 D C 1.334 177.604 176.300 -0.049 0.000 0.967 73 D CA 1.576 55.504 54.000 -0.120 0.000 0.871 73 D CB -0.670 39.704 40.800 -0.710 0.000 1.020 73 D HN 0.748 nan 8.370 nan 0.000 0.474 74 N N 1.194 119.845 118.700 -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 -0.736 37.706 38.487 -0.074 0.000 0.974 74 N HN 0.234 nan 8.380 nan 0.000 0.448 75 K N 1.088 121.502 120.400 0.023 0.000 2.402 75 K HA 0.038 4.358 4.320 -0.001 0.000 0.285 75 K C 0.829 177.454 176.600 0.042 0.000 1.054 75 K CA 0.096 56.403 56.287 0.033 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 2.071 117.790 115.700 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 2.038 60.259 58.200 0.035 0.000 1.033 76 S CB -0.885 62.331 63.200 0.025 0.000 0.887 76 S HN 0.860 nan 8.310 nan 0.000 0.447 77 T N 0.599 115.179 114.554 0.043 0.000 2.788 77 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 77 T C 1.378 176.114 174.700 0.061 0.000 1.044 77 T CA 1.511 63.640 62.100 0.048 0.000 1.139 77 T CB -0.753 68.143 68.868 0.046 0.000 0.867 77 T HN 0.279 nan 8.240 nan 0.000 0.454 78 D N 1.466 121.909 120.400 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 55.261 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 2.106 122.079 119.914 0.098 0.000 2.225 79 V HA -0.375 3.744 4.120 -0.001 0.000 0.252 79 V C 2.637 178.817 176.094 0.143 0.000 1.055 79 V CA 2.723 65.086 62.300 0.105 0.000 1.032 79 V CB -1.269 30.601 31.823 0.077 0.000 0.655 79 V HN 0.286 nan 8.190 nan 0.000 0.458 80 A N 0.360 123.256 122.820 0.126 0.000 1.929 80 A HA -0.328 3.992 4.320 -0.001 0.000 0.221 80 A C 2.426 180.062 177.584 0.088 0.000 1.211 80 A CA 3.643 55.756 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 0.857 nan 8.150 nan 0.000 0.462 81 S N -1.744 113.999 115.700 0.072 0.000 2.456 81 S HA 0.263 4.733 4.470 -0.001 0.000 0.224 81 S C 1.664 176.304 174.600 0.067 0.000 1.035 81 S CA 0.878 59.106 58.200 0.047 0.000 0.940 81 S CB -0.251 62.973 63.200 0.040 0.000 0.799 81 S HN 0.433 nan 8.310 nan 0.000 0.508 82 L N 1.123 122.406 121.223 0.099 0.000 2.590 82 L HA 0.290 4.630 4.340 -0.001 0.000 0.181 82 L C 0.302 177.253 176.870 0.136 0.000 1.134 82 L CA 0.243 55.146 54.840 0.105 0.000 0.850 82 L CB -0.505 41.615 42.059 0.101 0.000 1.172 82 L HN 0.239 nan 8.230 nan 0.000 0.498 83 N N -0.206 118.587 118.700 0.156 0.000 2.802 83 N HA -0.043 4.697 4.740 -0.001 0.000 0.288 83 N C 0.643 176.240 175.510 0.145 0.000 1.268 83 N CA -0.220 52.924 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 1.192 121.511 120.300 0.030 0.000 2.114 84 Y HA -0.129 4.421 4.550 -0.001 0.000 0.284 84 Y C 1.964 177.863 175.900 -0.002 0.000 1.143 84 Y CA 1.797 59.902 58.100 0.009 0.000 1.135 84 Y CB 0.152 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 0.497 120.384 119.800 0.144 0.000 2.482 85 Q HA -0.029 4.310 4.340 -0.001 0.000 0.209 85 Q C -0.173 175.824 176.000 -0.005 0.000 0.961 85 Q CA -0.089 55.738 55.803 0.040 0.000 0.945 85 Q CB 0.033 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 1.021 119.728 118.700 0.012 0.000 2.538 86 N HA 0.150 4.890 4.740 -0.001 0.000 0.292 86 N C -0.634 174.845 175.510 -0.051 0.000 1.262 86 N CA -0.109 52.953 53.050 0.020 0.000 0.976 86 N CB 0.806 39.355 38.487 0.104 0.000 1.161 86 N HN 0.090 nan 8.380 nan 0.000 0.598 87 D N -1.820 118.564 120.400 -0.026 0.000 2.559 87 D HA 0.186 4.825 4.640 -0.001 0.000 0.250 87 D C 0.436 176.716 176.300 -0.034 0.000 1.135 87 D CA -0.352 53.572 54.000 -0.126 0.000 0.955 87 D CB 0.406 41.127 40.800 -0.133 0.000 1.442 87 D HN 0.301 nan 8.370 nan 0.000 0.471 88 H N -0.138 118.861 119.070 -0.119 0.000 2.520 88 H HA -0.089 4.466 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 1.447 57.373 56.048 -0.203 0.000 1.249 88 H CB -0.039 29.597 29.762 -0.210 0.000 1.365 88 H HN 0.362 nan 8.280 nan 0.000 0.556 89 S N -0.161 115.637 115.700 0.164 0.000 2.577 89 S HA 0.014 4.484 4.470 -0.001 0.000 0.219 89 S C 0.160 174.887 174.600 0.211 0.000 0.962 89 S CA -0.116 58.170 58.200 0.143 0.000 0.921 89 S CB -0.230 62.993 63.200 0.039 0.000 0.789 89 S HN 0.540 nan 8.310 nan 0.000 0.497 90 N N 0.701 119.604 118.700 0.338 0.000 3.357 90 N HA 0.228 4.968 4.740 -0.001 0.000 0.206 90 N C -0.919 174.799 175.510 0.347 0.000 1.458 90 N CA -0.600 52.614 53.050 0.272 0.000 0.776 90 N CB -0.151 38.435 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 -1.217 174.634 175.800 0.085 0.000 1.107 91 F CA -1.238 56.814 58.000 0.087 0.000 0.991 91 F CB 1.346 40.405 39.000 0.098 0.000 1.400 91 F HN -0.047 nan 8.300 nan 0.000 0.503 92 L N 0.931 122.272 121.223 0.196 0.000 2.342 92 L HA 0.731 5.071 4.340 -0.001 0.000 0.271 92 L C -0.778 176.185 176.870 0.156 0.000 1.008 92 L CA -0.662 54.212 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 -0.390 114.202 114.554 0.064 0.000 2.909 93 T HA 0.255 4.605 4.350 -0.001 0.000 0.299 93 T C -0.520 174.221 174.700 0.068 0.000 1.073 93 T CA -0.438 61.736 62.100 0.123 0.000 0.999 93 T CB 2.165 71.115 68.868 0.136 0.000 1.098 93 T HN 0.531 nan 8.240 nan 0.000 0.477 94 T N 1.357 115.959 114.554 0.079 0.000 2.743 94 T HA 0.312 4.662 4.350 -0.001 0.000 0.293 94 T C 0.945 175.678 174.700 0.054 0.000 0.945 94 T CA -0.321 61.813 62.100 0.057 0.000 1.030 94 T CB 0.762 69.668 68.868 0.064 0.000 0.912 94 T HN 0.427 nan 8.240 nan 0.000 0.483 95 V N 6.900 126.834 119.914 0.033 0.000 3.406 95 V HA 0.300 4.420 4.120 -0.001 0.000 0.263 95 V C 0.631 176.734 176.094 0.014 0.000 1.172 95 V CA 0.302 62.619 62.300 0.029 0.000 1.140 95 V CB -0.182 31.640 31.823 -0.002 0.000 0.784 95 V HN 0.754 nan 8.190 nan 0.000 0.467 96 I N 2.181 122.759 120.570 0.013 0.000 2.406 96 I HA 0.208 4.378 4.170 -0.001 0.000 0.293 96 I C 0.666 176.786 176.117 0.004 0.000 1.101 96 I CA 0.432 61.725 61.300 -0.012 0.000 1.334 96 I CB 0.838 38.866 38.000 0.047 0.000 1.421 96 I HN 0.374 nan 8.210 nan 0.000 0.513 97 Q N 5.012 124.794 119.800 -0.029 0.000 2.297 97 Q HA 0.131 4.471 4.340 -0.001 0.000 0.265 97 Q C 0.240 176.240 176.000 -0.000 0.000 0.904 97 Q CA -0.040 55.762 55.803 -0.002 0.000 0.969 97 Q CB -0.334 28.407 28.738 0.004 0.000 1.115 97 Q HN 0.544 nan 8.270 nan 0.000 0.433 98 N N 1.133 119.858 118.700 0.042 0.000 2.457 98 N HA 0.018 4.758 4.740 -0.001 0.000 0.250 98 N C 0.915 176.508 175.510 0.139 0.000 0.982 98 N CA -0.153 52.962 53.050 0.109 0.000 0.941 98 N CB 0.592 39.226 38.487 0.245 0.000 1.120 98 N HN -0.037 nan 8.380 nan 0.000 0.505 99 N N 3.313 122.054 118.700 0.067 0.000 2.182 99 N HA -0.234 4.506 4.740 -0.001 0.000 0.192 99 N C 0.224 175.735 175.510 0.002 0.000 1.007 99 N CA 1.702 54.771 53.050 0.031 0.000 0.873 99 N CB 0.066 38.557 38.487 0.008 0.000 0.998 99 N HN 0.610 nan 8.380 nan 0.000 0.436 100 D N -1.760 118.613 120.400 -0.045 0.000 2.340 100 D HA -0.040 4.599 4.640 -0.001 0.000 0.220 100 D C -0.275 175.789 176.300 -0.394 0.000 1.039 100 D CA 0.315 54.163 54.000 -0.253 0.000 0.866 100 D CB -0.001 40.534 40.800 -0.441 0.000 0.913 100 D HN 0.366 nan 8.370 nan 0.000 0.523 101 Y N 0.841 121.166 120.300 0.041 0.000 2.509 101 Y HA 0.238 4.788 4.550 -0.001 0.000 0.341 101 Y C 0.986 176.905 175.900 0.032 0.000 1.038 101 Y CA -1.085 57.038 58.100 0.039 0.000 1.089 101 Y CB 1.303 39.797 38.460 0.055 0.000 1.241 101 Y HN -0.286 nan 8.280 nan 0.000 0.468 102 S N 2.553 118.368 115.700 0.193 0.000 2.572 102 S HA 0.017 4.486 4.470 -0.001 0.000 0.267 102 S C -1.936 172.733 174.600 0.116 0.000 1.361 102 S CA -0.774 57.494 58.200 0.114 0.000 1.009 102 S CB 0.421 63.674 63.200 0.088 0.000 0.888 102 S HN 0.514 nan 8.310 nan 0.000 0.553 103 P HA 0.065 nan 4.420 nan 0.000 0.217 103 P C 1.753 179.090 177.300 0.062 0.000 1.154 103 P CA 0.995 64.139 63.100 0.074 0.000 0.841 103 P CB -0.325 31.413 31.700 0.064 0.000 0.788 104 G N 0.476 109.308 108.800 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 0.508 120.743 120.200 0.060 0.000 2.114 105 E HA -0.162 4.188 4.350 -0.001 0.000 0.199 105 E C 2.723 179.332 176.600 0.015 0.000 1.008 105 E CA 1.459 57.895 56.400 0.060 0.000 0.810 105 E CB -0.371 29.411 29.700 0.137 0.000 0.739 105 E HN 0.361 nan 8.360 nan 0.000 0.456 106 A N 0.740 123.585 122.820 0.042 0.000 1.908 106 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 106 A C 2.322 179.899 177.584 -0.011 0.000 1.181 106 A CA 2.068 54.106 52.037 0.002 0.000 0.627 106 A CB -1.018 18.020 19.000 0.064 0.000 0.818 106 A HN 0.479 nan 8.150 nan 0.000 0.445 107 S N -0.925 114.779 115.700 0.007 0.000 2.488 107 S HA -0.142 4.327 4.470 -0.001 0.000 0.246 107 S C 1.543 176.132 174.600 -0.019 0.000 0.992 107 S CA 1.969 60.169 58.200 0.000 0.000 0.963 107 S CB -0.865 62.341 63.200 0.010 0.000 0.754 107 S HN 0.536 nan 8.310 nan 0.000 0.519 108 T N 1.930 116.462 114.554 -0.036 0.000 2.837 108 T HA 0.081 4.431 4.350 -0.001 0.000 0.248 108 T C 0.773 175.426 174.700 -0.079 0.000 1.033 108 T CA 0.379 62.447 62.100 -0.053 0.000 1.150 108 T CB -0.231 68.601 68.868 -0.060 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 -0.001 175.954 176.000 -0.076 0.000 1.109 109 Q CA 0.303 56.013 55.803 -0.155 0.000 0.968 109 Q CB 0.010 28.615 28.738 -0.222 0.000 1.309 109 Q HN 0.492 nan 8.270 nan 0.000 0.497 110 T N -2.843 111.663 114.554 -0.079 0.000 2.894 110 T HA 0.599 4.949 4.350 -0.001 0.000 0.309 110 T C -0.548 174.162 174.700 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 2.883 123.459 120.570 0.011 0.000 2.342 111 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 111 I C -0.124 175.934 176.117 -0.099 0.000 1.010 111 I CA -0.827 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 8.175 126.802 118.700 -0.122 0.000 2.511 112 N HA 0.390 5.130 4.740 -0.001 0.000 0.249 112 N C -0.606 174.742 175.510 -0.271 0.000 0.971 112 N CA -0.449 52.502 53.050 -0.165 0.000 0.938 112 N CB 1.869 40.285 38.487 -0.118 0.000 1.131 112 N HN 0.428 nan 8.380 nan 0.000 0.505 113 L N 0.753 121.728 121.223 -0.414 0.000 2.426 113 L HA 0.122 4.462 4.340 -0.001 0.000 0.271 113 L C 1.155 177.829 176.870 -0.327 0.000 1.169 113 L CA -0.370 53.987 54.840 -0.805 0.000 0.836 113 L CB 0.530 41.731 42.059 -1.430 0.000 1.112 113 L HN 0.350 nan 8.230 nan 0.000 0.465 114 D N 1.902 122.304 120.400 0.003 0.000 2.525 114 D HA -0.154 4.485 4.640 -0.001 0.000 0.235 114 D C 0.669 177.138 176.300 0.282 0.000 1.137 114 D CA 0.286 54.422 54.000 0.226 0.000 0.868 114 D CB 0.954 41.941 40.800 0.311 0.000 1.180 114 D HN 0.548 nan 8.370 nan 0.000 0.465 115 D N 3.071 123.535 120.400 0.107 0.000 2.144 115 D HA -0.119 4.521 4.640 -0.001 0.000 0.200 115 D C 1.568 177.882 176.300 0.024 0.000 0.978 115 D CA 0.744 54.777 54.000 0.055 0.000 0.833 115 D CB 0.259 41.064 40.800 0.010 0.000 0.961 115 D HN 0.481 nan 8.370 nan 0.000 0.470 116 R N -0.107 120.407 120.500 0.023 0.000 2.328 116 R HA 0.057 4.396 4.340 -0.001 0.000 0.207 116 R C 0.450 176.693 176.300 -0.096 0.000 1.056 116 R CA 0.271 56.351 56.100 -0.034 0.000 1.016 116 R CB 0.194 30.485 30.300 -0.016 0.000 0.872 116 R HN -0.064 nan 8.270 nan 0.000 0.471 117 S N -0.335 115.311 115.700 -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 0.193 4.749 4.556 -0.001 0.000 0.314 118 H C -0.924 174.349 175.328 -0.092 0.000 1.069 118 H CA 0.147 56.182 56.048 -0.022 0.000 1.436 118 H CB 0.427 30.171 29.762 -0.030 0.000 1.462 118 H HN 0.513 nan 8.280 nan 0.000 0.511 119 W N 1.308 122.649 121.300 0.069 0.000 2.485 119 W HA 0.527 5.187 4.660 -0.000 0.000 0.364 119 W C 0.509 177.037 176.519 0.014 0.000 1.171 119 W CA -0.454 56.905 57.345 0.023 0.000 1.304 119 W CB 1.438 30.892 29.460 -0.010 0.000 1.335 119 W HN 0.653 nan 8.180 nan 0.000 0.643 120 G N -0.547 108.425 108.800 0.288 0.000 2.690 120 G HA2 0.641 4.601 3.960 -0.001 0.000 0.293 120 G HA3 0.641 4.601 3.960 -0.001 0.000 0.293 120 G C -1.479 173.503 174.900 0.136 0.000 1.399 120 G CA -0.697 44.491 45.100 0.146 0.000 0.890 120 G HN 0.706 nan 8.290 nan 0.000 0.485 121 G N -0.310 108.525 108.800 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 -1.587 173.310 174.900 -0.005 0.000 1.336 121 G CA -0.624 44.491 45.100 0.024 0.000 0.953 121 G HN 0.398 nan 8.290 nan 0.000 0.482 122 D N 0.595 120.984 120.400 -0.018 0.000 2.232 122 D HA 0.303 4.943 4.640 -0.001 0.000 0.242 122 D C -0.569 175.702 176.300 -0.048 0.000 1.093 122 D CA -0.190 53.794 54.000 -0.027 0.000 0.845 122 D CB 2.649 43.434 40.800 -0.024 0.000 1.124 122 D HN 0.183 nan 8.370 nan 0.000 0.467 123 L N 2.837 124.035 121.223 -0.042 0.000 2.277 123 L HA 0.299 4.639 4.340 -0.001 0.000 0.284 123 L C -0.473 176.376 176.870 -0.035 0.000 1.028 123 L CA -0.304 54.499 54.840 -0.061 0.000 0.835 123 L CB 0.395 42.402 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 -0.609 175.932 176.600 -0.097 0.000 0.950 124 K CA -0.711 55.528 56.287 -0.079 0.000 0.849 124 K CB 2.046 34.510 32.500 -0.060 0.000 1.100 124 K HN 0.577 nan 8.250 nan 0.000 0.434 125 T N 1.481 115.971 114.554 -0.106 0.000 2.900 125 T HA 0.547 4.897 4.350 -0.001 0.000 0.303 125 T C -1.492 173.234 174.700 0.042 0.000 1.142 125 T CA -0.713 61.323 62.100 -0.106 0.000 1.007 125 T CB 0.787 69.394 68.868 -0.435 0.000 1.156 125 T HN 0.428 nan 8.240 nan 0.000 0.490 126 I N 4.240 124.885 120.570 0.125 0.000 2.420 126 I HA 0.450 4.619 4.170 -0.001 0.000 0.282 126 I C -1.093 175.182 176.117 0.264 0.000 1.019 126 I CA -0.874 60.518 61.300 0.155 0.000 1.130 126 I CB 1.552 39.604 38.000 0.087 0.000 1.262 126 I HN 0.358 nan 8.210 nan 0.000 0.454 127 L N 7.131 128.540 121.223 0.310 0.000 2.329 127 L HA 0.576 4.916 4.340 -0.001 0.000 0.279 127 L C -1.087 175.940 176.870 0.262 0.000 1.014 127 L CA -0.220 54.809 54.840 0.316 0.000 0.814 127 L CB 1.241 43.526 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 5.191 4.556 -0.001 0.000 0.334 128 H C -0.616 174.777 175.328 0.109 0.000 0.983 128 H CA 0.111 56.212 56.048 0.088 0.000 1.363 128 H CB 1.246 31.075 29.762 0.112 0.000 1.668 128 H HN 0.838 nan 8.280 nan 0.000 0.513 129 T N 1.070 115.448 114.554 -0.294 0.000 2.780 129 T HA 0.360 4.710 4.350 -0.001 0.000 0.263 129 T C 0.238 174.725 174.700 -0.354 0.000 0.993 129 T CA -0.379 61.588 62.100 -0.221 0.000 1.010 129 T CB 0.951 69.772 68.868 -0.078 0.000 1.642 129 T HN 0.673 nan 8.240 nan 0.000 0.587 130 N N -1.439 117.172 118.700 -0.148 0.000 2.405 130 N HA 0.021 4.761 4.740 -0.001 0.000 0.221 130 N C -0.453 175.015 175.510 -0.070 0.000 1.386 130 N CA -0.434 52.541 53.050 -0.126 0.000 1.332 130 N CB -1.176 37.244 38.487 -0.111 0.000 1.256 130 N HN 0.800 nan 8.380 nan 0.000 0.587 131 M N 1.315 120.831 119.600 -0.140 0.000 2.249 131 M HA 0.286 4.766 4.480 -0.001 0.000 0.340 131 M C -2.325 173.733 176.300 -0.403 0.000 1.166 131 M CA -0.407 54.590 55.300 -0.505 0.000 1.115 131 M CB 0.661 32.926 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 -0.455 176.668 177.300 -0.296 0.000 1.272 132 P CA -0.486 62.426 63.100 -0.313 0.000 0.819 132 P CB 0.572 32.105 31.700 -0.278 0.000 1.122 133 N N 0.414 118.962 118.700 -0.253 0.000 1.997 133 N HA -0.118 4.621 4.740 -0.001 0.000 0.198 133 N C 0.037 175.442 175.510 -0.175 0.000 1.063 133 N CA 1.608 54.542 53.050 -0.194 0.000 0.860 133 N CB -0.755 37.614 38.487 -0.196 0.000 1.063 133 N HN 0.289 nan 8.380 nan 0.000 0.424 134 V N -0.709 119.068 119.914 -0.229 0.000 2.532 134 V HA 0.711 4.831 4.120 -0.001 0.000 0.295 134 V C -0.647 175.383 176.094 -0.107 0.000 1.041 134 V CA -0.747 61.489 62.300 -0.108 0.000 0.926 134 V CB 1.087 32.905 31.823 -0.008 0.000 0.992 134 V HN 0.725 nan 8.190 nan 0.000 0.457 135 N N 0.888 119.573 118.700 -0.024 0.000 3.545 135 N HA 0.189 4.928 4.740 -0.001 0.000 0.227 135 N C -1.280 174.256 175.510 0.044 0.000 1.380 135 N CA -0.468 52.589 53.050 0.012 0.000 0.892 135 N CB 1.448 39.925 38.487 -0.015 0.000 1.441 135 N HN 0.945 nan 8.380 nan 0.000 0.497 136 E N 0.660 120.895 120.200 0.058 0.000 1.996 136 E HA 0.417 4.766 4.350 -0.001 0.000 0.280 136 E C -1.112 175.513 176.600 0.042 0.000 1.092 136 E CA -0.326 56.065 56.400 -0.014 0.000 0.862 136 E CB 0.054 29.756 29.700 0.003 0.000 1.066 136 E HN 0.612 nan 8.360 nan 0.000 0.396 137 F N 3.463 123.196 119.950 -0.361 0.000 1.649 137 F HA -0.073 4.454 4.527 -0.001 0.000 0.334 137 F C 0.121 175.685 175.800 -0.393 0.000 1.185 137 F CA -0.083 57.721 58.000 -0.326 0.000 1.231 137 F CB -0.087 38.920 39.000 0.011 0.000 1.896 137 F HN 0.422 nan 8.300 nan 0.000 0.163 138 M N 1.305 120.915 119.600 0.016 0.000 2.495 138 M HA 0.294 4.774 4.480 -0.001 0.000 0.237 138 M C -0.359 176.111 176.300 0.283 0.000 1.131 138 M CA 0.271 55.655 55.300 0.139 0.000 1.032 138 M CB -1.495 31.193 32.600 0.147 0.000 1.513 138 M HN 0.318 nan 8.290 nan 0.000 0.488 139 F N 0.736 120.722 119.950 0.061 0.000 2.807 139 F HA -0.241 4.285 4.527 -0.001 0.000 0.297 139 F C 0.866 176.728 175.800 0.103 0.000 1.024 139 F CA 0.906 58.953 58.000 0.079 0.000 1.008 139 F CB -2.645 36.396 39.000 0.069 0.000 1.142 139 F HN 0.287 nan 8.300 nan 0.000 0.829 140 T N -3.971 110.701 114.554 0.198 0.000 3.275 140 T HA 0.182 4.532 4.350 -0.001 0.000 0.298 140 T C 0.863 175.668 174.700 0.174 0.000 0.988 140 T CA 0.256 62.458 62.100 0.170 0.000 0.936 140 T CB 0.106 69.028 68.868 0.091 0.000 1.159 140 T HN 0.484 nan 8.240 nan 0.000 0.519 141 N N 0.792 119.605 118.700 0.187 0.000 2.197 141 N HA 0.212 4.952 4.740 -0.001 0.000 0.228 141 N C -0.299 175.353 175.510 0.238 0.000 1.212 141 N CA -0.493 52.675 53.050 0.197 0.000 0.883 141 N CB 0.646 39.214 38.487 0.136 0.000 1.107 141 N HN 0.340 nan 8.380 nan 0.000 0.519 142 K N 0.426 120.997 120.400 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 55.657 56.287 0.268 0.000 0.842 142 K CB 2.301 34.916 32.500 0.191 0.000 1.359 142 K HN 0.114 nan 8.250 nan 0.000 0.441 143 F N -1.178 118.870 119.950 0.164 0.000 2.656 143 F HA 0.357 4.884 4.527 -0.001 0.000 0.326 143 F C -1.664 174.198 175.800 0.103 0.000 1.109 143 F CA -1.048 56.995 58.000 0.072 0.000 1.086 143 F CB 0.791 39.797 39.000 0.010 0.000 1.324 143 F HN 0.195 nan 8.300 nan 0.000 0.511 144 K N 3.291 123.718 120.400 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 -0.490 55.828 56.287 0.050 0.000 0.932 144 K CB 1.697 34.218 32.500 0.035 0.000 1.032 144 K HN 0.877 nan 8.250 nan 0.000 0.466 145 A N 2.796 125.835 122.820 0.366 0.000 2.539 145 A HA 0.544 4.863 4.320 -0.001 0.000 0.296 145 A C -1.270 176.422 177.584 0.179 0.000 1.073 145 A CA -0.835 51.455 52.037 0.420 0.000 0.700 145 A CB 1.460 20.792 19.000 0.553 0.000 1.296 145 A HN 0.787 nan 8.150 nan 0.000 0.405 146 R N 0.892 121.197 120.500 -0.325 0.000 2.295 146 R HA 0.634 4.974 4.340 -0.001 0.000 0.324 146 R C -0.743 175.296 176.300 -0.435 0.000 0.968 146 R CA -0.296 55.335 56.100 -0.783 0.000 0.837 146 R CB 1.002 30.192 30.300 -1.850 0.000 1.133 146 R HN 1.000 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 0.560 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 -1.396 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 0.427 0.000 1.137 148 M CB 1.465 34.282 32.600 0.362 0.000 1.576 148 M HN 0.749 nan 8.290 nan 0.000 0.461 149 V N 2.957 122.975 119.914 0.173 0.000 3.451 149 V HA 0.332 4.452 4.120 -0.001 0.000 0.288 149 V C -0.412 175.717 176.094 0.057 0.000 1.502 149 V CA 0.619 63.012 62.300 0.155 0.000 1.026 149 V CB 1.018 32.933 31.823 0.153 0.000 0.840 149 V HN 0.875 nan 8.190 nan 0.000 0.437 150 S N 0.661 116.361 115.700 -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 57.502 58.200 -0.032 0.000 0.907 150 S CB 1.626 64.800 63.200 -0.044 0.000 1.108 150 S HN 0.430 nan 8.310 nan 0.000 0.459 151 R N 2.566 123.043 120.500 -0.037 0.000 2.539 151 R HA 0.562 4.901 4.340 -0.001 0.000 0.295 151 R C -1.461 174.823 176.300 -0.026 0.000 1.138 151 R CA -0.147 55.928 56.100 -0.041 0.000 0.936 151 R CB 1.088 31.382 30.300 -0.010 0.000 1.182 151 R HN 0.799 nan 8.270 nan 0.000 0.459 152 S N 3.233 118.912 115.700 -0.035 0.000 2.546 152 S HA 0.380 4.850 4.470 -0.001 0.000 0.274 152 S C -0.486 174.100 174.600 -0.023 0.000 1.121 152 S CA -0.934 57.252 58.200 -0.024 0.000 0.887 152 S CB 1.689 64.874 63.200 -0.024 0.000 1.094 152 S HN 0.555 nan 8.310 nan 0.000 0.474 153 L N 3.292 124.506 121.223 -0.015 0.000 2.536 153 L HA 0.209 4.549 4.340 -0.001 0.000 0.282 153 L C 0.420 177.283 176.870 -0.013 0.000 1.174 153 L CA 0.028 54.861 54.840 -0.012 0.000 0.989 153 L CB -0.286 41.769 42.059 -0.007 0.000 1.311 153 L HN 0.881 nan 8.230 nan 0.000 0.455 154 T N 3.311 117.855 114.554 -0.016 0.000 2.854 154 T HA -0.124 4.225 4.350 -0.001 0.000 0.336 154 T C 1.503 176.197 174.700 -0.010 0.000 1.095 154 T CA -0.042 62.049 62.100 -0.015 0.000 1.118 154 T CB 0.510 69.369 68.868 -0.016 0.000 1.025 154 T HN 0.580 nan 8.240 nan 0.000 0.549 155 K N 1.156 121.551 120.400 -0.009 0.000 2.184 155 K HA -0.243 4.077 4.320 -0.001 0.000 0.210 155 K C 1.334 177.931 176.600 -0.005 0.000 1.048 155 K CA 2.055 58.338 56.287 -0.006 0.000 0.931 155 K CB -0.099 32.398 32.500 -0.006 0.000 0.718 155 K HN 0.549 nan 8.250 nan 0.000 0.465 156 D N -0.694 119.703 120.400 -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 0.063 nan 8.370 nan 0.000 0.457 157 K N -1.378 119.020 120.400 -0.003 0.000 2.191 157 K HA 0.095 4.414 4.320 -0.001 0.000 0.154 157 K C 0.036 176.634 176.600 -0.003 0.000 1.928 157 K CA -0.038 56.247 56.287 -0.003 0.000 1.002 157 K CB 1.076 33.575 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 0.425 4.764 4.340 -0.001 0.000 0.219 158 Q C -0.072 175.923 176.000 -0.009 0.000 0.999 158 Q CA -0.531 55.269 55.803 -0.004 0.000 0.959 158 Q CB 1.780 30.516 28.738 -0.003 0.000 1.173 158 Q HN 0.071 nan 8.270 nan 0.000 0.527 159 V N -2.688 117.219 119.914 -0.012 0.000 3.113 159 V HA 0.623 4.743 4.120 -0.001 0.000 0.316 159 V C -1.050 175.025 176.094 -0.032 0.000 1.125 159 V CA -0.784 61.504 62.300 -0.020 0.000 1.026 159 V CB 2.006 33.818 31.823 -0.019 0.000 1.080 159 V HN 0.842 nan 8.190 nan 0.000 0.444 160 E N 1.202 121.374 120.200 -0.046 0.000 2.234 160 E HA 0.651 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 -0.777 55.582 56.400 -0.069 0.000 0.758 160 E CB 2.000 31.666 29.700 -0.058 0.000 1.170 160 E HN 0.813 nan 8.360 nan 0.000 0.415 161 L N 4.508 125.625 121.223 -0.178 0.000 2.372 161 L HA 0.488 4.828 4.340 -0.001 0.000 0.273 161 L C -0.520 176.062 176.870 -0.480 0.000 0.989 161 L CA -0.656 53.977 54.840 -0.346 0.000 0.841 161 L CB 1.583 43.422 42.059 -0.366 0.000 1.225 161 L HN 0.346 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 4.929 4.320 -0.001 0.000 0.258 162 K C -1.434 174.932 176.600 -0.390 0.000 0.944 162 K CA -0.632 55.455 56.287 -0.332 0.000 0.823 162 K CB 2.362 34.780 32.500 -0.137 0.000 1.113 162 K HN 0.302 nan 8.250 nan 0.000 0.431 163 Y N 0.397 120.668 120.300 -0.048 0.000 2.587 163 Y HA 0.420 4.970 4.550 -0.001 0.000 0.337 163 Y C 0.046 175.885 175.900 -0.101 0.000 1.065 163 Y CA -0.826 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 0.346 120.568 120.200 0.037 0.000 2.407 164 E HA 0.283 4.632 4.350 -0.001 0.000 0.279 164 E C -2.250 174.272 176.600 -0.131 0.000 1.012 164 E CA -0.776 55.616 56.400 -0.014 0.000 0.800 164 E CB 1.387 31.124 29.700 0.062 0.000 1.276 164 E HN 0.562 nan 8.360 nan 0.000 0.452 165 W N 2.768 124.054 121.300 -0.023 0.000 2.351 165 W HA 0.476 5.136 4.660 -0.001 0.000 0.311 165 W C -0.429 175.989 176.519 -0.168 0.000 1.168 165 W CA -0.326 56.971 57.345 -0.081 0.000 1.200 165 W CB 1.463 30.890 29.460 -0.056 0.000 1.221 165 W HN 0.289 nan 8.180 nan 0.000 0.519 166 V N -0.046 119.812 119.914 -0.094 0.000 2.876 166 V HA 0.521 4.640 4.120 -0.001 0.000 0.312 166 V C -0.849 174.859 176.094 -0.644 0.000 1.085 166 V CA -1.568 60.488 62.300 -0.407 0.000 0.945 166 V CB 1.763 33.179 31.823 -0.679 0.000 1.017 166 V HN 0.571 nan 8.190 nan 0.000 0.428 167 E N 2.104 121.981 120.200 -0.538 0.000 2.134 167 E HA 0.598 4.948 4.350 -0.001 0.000 0.278 167 E C -1.698 174.569 176.600 -0.555 0.000 0.959 167 E CA -0.582 55.546 56.400 -0.454 0.000 0.783 167 E CB 1.053 30.640 29.700 -0.190 0.000 1.095 167 E HN 0.616 nan 8.360 nan 0.000 0.399 168 F N 2.035 121.745 119.950 -0.399 0.000 2.450 168 F HA 0.384 4.911 4.527 -0.001 0.000 0.332 168 F C 0.592 176.277 175.800 -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 0.911 115.564 114.554 0.165 0.000 2.863 169 T HA 0.777 5.127 4.350 -0.001 0.000 0.285 169 T C -0.693 174.129 174.700 0.204 0.000 1.009 169 T CA -0.907 61.293 62.100 0.166 0.000 0.989 169 T CB 1.190 70.124 68.868 0.111 0.000 1.004 169 T HN 0.491 nan 8.240 nan 0.000 0.455 170 L N 2.717 124.075 121.223 0.225 0.000 2.399 170 L HA 0.557 4.897 4.340 -0.001 0.000 0.265 170 L C -1.850 175.142 176.870 0.202 0.000 1.089 170 L CA -2.494 52.484 54.840 0.230 0.000 0.802 170 L CB 0.824 43.052 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 -0.691 176.746 177.300 0.229 0.000 1.262 171 P CA -0.338 62.874 63.100 0.188 0.000 0.773 171 P CB 0.836 32.643 31.700 0.177 0.000 0.879 172 E N 1.110 121.391 120.200 0.136 0.000 2.442 172 E HA 0.375 4.724 4.350 -0.001 0.000 0.262 172 E C 0.543 177.147 176.600 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 3.993 3.960 -0.001 0.000 0.296 173 G HA3 0.034 3.993 3.960 -0.001 0.000 0.296 173 G C -1.628 172.771 174.900 -0.836 0.000 1.399 173 G CA -0.968 43.888 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 -0.957 174.328 175.510 -0.374 0.000 0.983 174 N CA -0.335 52.438 53.050 -0.462 0.000 0.937 174 N CB 0.436 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 1.036 176.905 175.900 -0.052 0.000 1.169 175 Y CA -1.245 56.829 58.100 -0.043 0.000 1.198 175 Y CB 0.256 38.690 38.460 -0.043 0.000 1.402 175 Y HN 0.283 nan 8.280 nan 0.000 0.577 176 S N -0.266 115.531 115.700 0.162 0.000 2.730 176 S HA 0.121 4.591 4.470 -0.001 0.000 0.284 176 S C 1.203 175.815 174.600 0.019 0.000 1.153 176 S CA -0.608 57.616 58.200 0.041 0.000 0.995 176 S CB 1.091 64.281 63.200 -0.016 0.000 1.058 176 S HN 0.744 nan 8.310 nan 0.000 0.552 177 E N 0.460 120.651 120.200 -0.015 0.000 2.106 177 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 177 E C 1.647 178.196 176.600 -0.085 0.000 0.984 177 E CA 1.742 58.113 56.400 -0.048 0.000 0.806 177 E CB -0.223 29.447 29.700 -0.050 0.000 0.750 177 E HN 0.780 nan 8.360 nan 0.000 0.458 178 T N -0.902 113.598 114.554 -0.090 0.000 2.815 178 T HA -0.064 4.285 4.350 -0.001 0.000 0.244 178 T C 2.096 176.689 174.700 -0.178 0.000 1.040 178 T CA 0.736 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 1.537 121.020 119.600 -0.194 0.000 2.327 179 M HA -0.193 4.287 4.480 -0.001 0.000 0.258 179 M C 2.006 178.109 176.300 -0.330 0.000 1.079 179 M CA 1.722 56.838 55.300 -0.307 0.000 1.056 179 M CB -0.775 31.676 32.600 -0.248 0.000 1.387 179 M HN 0.455 nan 8.290 nan 0.000 0.423 180 T N 0.843 115.283 114.554 -0.190 0.000 2.668 180 T HA -0.114 4.236 4.350 -0.001 0.000 0.262 180 T C 1.637 176.227 174.700 -0.185 0.000 1.045 180 T CA 1.553 63.576 62.100 -0.129 0.000 1.152 180 T CB -0.276 68.591 68.868 -0.001 0.000 0.864 180 T HN 0.382 nan 8.240 nan 0.000 0.419 181 I N 1.613 122.062 120.570 -0.202 0.000 2.074 181 I HA -0.332 3.838 4.170 -0.001 0.000 0.238 181 I C 2.354 178.370 176.117 -0.168 0.000 1.037 181 I CA 1.796 62.963 61.300 -0.222 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 0.686 120.949 120.400 -0.228 0.000 2.154 182 D HA -0.219 4.420 4.640 -0.001 0.000 0.190 182 D C 2.135 178.362 176.300 -0.121 0.000 1.003 182 D CA 1.178 54.998 54.000 -0.300 0.000 0.849 182 D CB -0.456 39.846 40.800 -0.830 0.000 0.942 182 D HN 0.146 nan 8.370 nan 0.000 0.446 183 L N -0.026 121.104 121.223 -0.155 0.000 2.081 183 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 183 L C 2.263 179.191 176.870 0.097 0.000 1.080 183 L CA 1.494 56.337 54.840 0.006 0.000 0.754 183 L CB -0.773 41.206 42.059 -0.133 0.000 0.893 183 L HN 0.233 nan 8.230 nan 0.000 0.433 184 M N -1.228 118.398 119.600 0.043 0.000 2.098 184 M HA -0.177 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 -0.499 31.953 32.600 -0.247 0.000 1.344 184 M HN 0.216 nan 8.290 nan 0.000 0.414 185 N N 0.922 119.748 118.700 0.211 0.000 2.069 185 N HA -0.193 4.547 4.740 -0.001 0.000 0.191 185 N C 1.435 177.048 175.510 0.170 0.000 1.031 185 N CA 1.748 54.919 53.050 0.202 0.000 0.852 185 N CB -0.738 37.855 38.487 0.176 0.000 1.018 185 N HN 0.375 nan 8.380 nan 0.000 0.423 186 N N 1.083 119.917 118.700 0.223 0.000 2.043 186 N HA -0.131 4.608 4.740 -0.001 0.000 0.193 186 N C 1.515 177.124 175.510 0.164 0.000 1.037 186 N CA 1.964 55.153 53.050 0.231 0.000 0.851 186 N CB -0.427 38.240 38.487 0.299 0.000 1.027 186 N HN 0.196 nan 8.380 nan 0.000 0.422 187 A N 0.111 123.019 122.820 0.146 0.000 2.076 187 A HA -0.091 4.228 4.320 -0.001 0.000 0.220 187 A C 2.068 179.613 177.584 -0.065 0.000 1.160 187 A CA 1.032 53.139 52.037 0.116 0.000 0.653 187 A CB -0.619 18.480 19.000 0.165 0.000 0.801 187 A HN 0.413 nan 8.150 nan 0.000 0.455 188 I N -0.734 119.727 120.570 -0.182 0.000 2.277 188 I HA -0.122 4.048 4.170 -0.001 0.000 0.243 188 I C 2.527 178.701 176.117 0.095 0.000 1.094 188 I CA 0.931 62.035 61.300 -0.328 0.000 1.393 188 I CB -1.291 36.575 38.000 -0.223 0.000 1.078 188 I HN 0.148 nan 8.210 nan 0.000 0.417 189 V N 0.824 120.831 119.914 0.154 0.000 2.233 189 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 189 V C 2.455 178.747 176.094 0.331 0.000 1.050 189 V CA 1.880 64.346 62.300 0.277 0.000 1.010 189 V CB -0.699 31.286 31.823 0.270 0.000 0.637 189 V HN 0.381 nan 8.190 nan 0.000 0.444 190 E N -0.991 119.359 120.200 0.250 0.000 2.253 190 E HA -0.313 4.037 4.350 -0.001 0.000 0.202 190 E C 2.178 178.931 176.600 0.254 0.000 1.014 190 E CA 1.622 58.152 56.400 0.217 0.000 0.823 190 E CB -0.171 29.641 29.700 0.188 0.000 0.736 190 E HN 0.741 nan 8.360 nan 0.000 0.478 191 H N -0.840 118.383 119.070 0.256 0.000 2.384 191 H HA -0.134 4.421 4.556 -0.001 0.000 0.300 191 H C 1.928 177.393 175.328 0.228 0.000 1.057 191 H CA 1.452 57.662 56.048 0.269 0.000 1.370 191 H CB -0.376 29.667 29.762 0.469 0.000 1.417 191 H HN 0.287 nan 8.280 nan 0.000 0.527 192 Y N 1.922 122.403 120.300 0.302 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 1.581 59.794 58.100 0.188 0.000 1.229 192 Y CB -0.496 38.085 38.460 0.201 0.000 0.977 192 Y HN 0.158 nan 8.280 nan 0.000 0.538 193 L N 0.208 121.398 121.223 -0.054 0.000 2.034 193 L HA -0.158 4.182 4.340 -0.001 0.000 0.203 193 L C 2.518 179.271 176.870 -0.195 0.000 1.074 193 L CA 1.736 56.468 54.840 -0.180 0.000 0.748 193 L CB -0.831 41.223 42.059 -0.008 0.000 0.905 193 L HN 0.039 nan 8.230 nan 0.000 0.439 194 K N -0.250 120.067 120.400 -0.138 0.000 2.360 194 K HA -0.132 4.188 4.320 -0.001 0.000 0.201 194 K C 1.244 177.717 176.600 -0.212 0.000 1.046 194 K CA 1.027 57.226 56.287 -0.146 0.000 0.940 194 K CB 0.316 32.753 32.500 -0.105 0.000 0.748 194 K HN 0.173 nan 8.250 nan 0.000 0.465 195 V N -2.159 117.570 119.914 -0.309 0.000 4.454 195 V HA 0.080 4.199 4.120 -0.001 0.000 0.159 195 V C 1.851 177.812 176.094 -0.221 0.000 1.262 195 V CA 0.551 62.689 62.300 -0.271 0.000 1.223 195 V CB -0.665 30.946 31.823 -0.353 0.000 1.452 195 V HN 0.370 nan 8.190 nan 0.000 0.595 196 G N 2.526 111.221 108.800 -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 1.463 176.258 174.900 -0.175 0.000 1.198 196 G CA 2.767 47.846 45.100 -0.035 0.000 0.766 196 G HN 0.698 nan 8.290 nan 0.000 0.763 197 R N 0.106 120.229 120.500 -0.629 0.000 2.162 197 R HA -0.234 4.106 4.340 -0.001 0.000 0.245 197 R C 2.051 178.254 176.300 -0.162 0.000 1.129 197 R CA 2.176 58.043 56.100 -0.389 0.000 0.940 197 R CB -1.127 28.804 30.300 -0.615 0.000 0.875 197 R HN 0.554 nan 8.270 nan 0.000 0.437 198 Q N 1.247 120.932 119.800 -0.193 0.000 2.271 198 Q HA 0.096 4.436 4.340 -0.001 0.000 0.206 198 Q C -0.394 175.563 176.000 -0.073 0.000 0.860 198 Q CA 0.172 55.910 55.803 -0.109 0.000 0.991 198 Q CB -0.164 28.505 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 -0.093 175.415 175.510 -0.004 0.000 1.390 199 N CA 0.569 53.603 53.050 -0.027 0.000 1.380 199 N CB 1.136 39.605 38.487 -0.030 0.000 1.444 199 N HN 0.439 nan 8.380 nan 0.000 0.573 200 G N 0.126 108.931 108.800 0.007 0.000 2.166 200 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 200 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 200 G C 0.040 174.978 174.900 0.063 0.000 0.986 200 G CA 0.629 45.745 45.100 0.027 0.000 0.683 200 G HN 0.216 nan 8.290 nan 0.000 0.527 201 V N 1.563 121.539 119.914 0.103 0.000 2.383 201 V HA 0.553 4.673 4.120 -0.001 0.000 0.275 201 V C 0.790 177.073 176.094 0.315 0.000 1.036 201 V CA -0.514 61.904 62.300 0.197 0.000 0.889 201 V CB 1.428 33.412 31.823 0.269 0.000 0.985 201 V HN 0.315 nan 8.190 nan 0.000 0.459 202 L N 4.802 126.151 121.223 0.210 0.000 2.307 202 L HA 0.403 4.742 4.340 -0.001 0.000 0.282 202 L C 1.723 178.637 176.870 0.073 0.000 1.051 202 L CA -0.477 54.476 54.840 0.188 0.000 0.804 202 L CB 1.292 43.420 42.059 0.115 0.000 1.197 202 L HN 0.773 nan 8.230 nan 0.000 0.431 203 E N 0.543 120.743 120.200 -0.000 0.000 2.208 203 E HA -0.261 4.089 4.350 -0.001 0.000 0.202 203 E C 1.381 177.873 176.600 -0.181 0.000 1.014 203 E CA 1.721 57.959 56.400 -0.271 0.000 0.819 203 E CB -0.290 29.397 29.700 -0.022 0.000 0.735 203 E HN 0.640 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 4.354 4.470 -0.001 0.000 0.250 204 S C 0.219 174.828 174.600 0.016 0.000 0.977 204 S CA 1.433 59.643 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 -1.017 119.375 120.400 -0.013 0.000 2.740 205 D HA 0.150 4.790 4.640 -0.001 0.000 0.305 205 D C -0.214 176.076 176.300 -0.016 0.000 1.583 205 D CA -0.437 53.576 54.000 0.022 0.000 0.790 205 D CB -0.824 40.004 40.800 0.047 0.000 1.187 205 D HN 0.231 nan 8.370 nan 0.000 0.447 206 I N 1.349 121.840 120.570 -0.133 0.000 2.587 206 I HA 0.207 4.377 4.170 -0.001 0.000 0.284 206 I C 1.904 177.915 176.117 -0.176 0.000 1.134 206 I CA 0.180 61.374 61.300 -0.177 0.000 1.410 206 I CB 1.297 39.095 38.000 -0.337 0.000 1.392 206 I HN 0.238 nan 8.210 nan 0.000 0.545 207 G N 6.617 115.329 108.800 -0.146 0.000 2.422 207 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.218 207 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.218 207 G C 0.605 175.319 174.900 -0.309 0.000 1.146 207 G CA 0.854 45.816 45.100 -0.229 0.000 0.769 207 G HN 0.555 nan 8.290 nan 0.000 0.547 208 V N -2.841 116.885 119.914 -0.313 0.000 2.656 208 V HA 0.835 4.954 4.120 -0.001 0.000 0.307 208 V C -0.843 174.960 176.094 -0.485 0.000 1.051 208 V CA -1.387 60.666 62.300 -0.412 0.000 0.893 208 V CB 1.999 33.578 31.823 -0.406 0.000 0.999 208 V HN 0.148 nan 8.190 nan 0.000 0.426 209 K N 3.699 123.750 120.400 -0.582 0.000 2.525 209 K HA 0.627 4.947 4.320 -0.001 0.000 0.254 209 K C -2.116 174.186 176.600 -0.497 0.000 0.934 209 K CA -0.656 55.345 56.287 -0.477 0.000 0.802 209 K CB 2.283 34.568 32.500 -0.359 0.000 1.295 209 K HN 0.706 nan 8.250 nan 0.000 0.433 210 F N 3.528 123.433 119.950 -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 1.176 40.122 39.000 -0.091 0.000 1.188 210 F HN 0.580 nan 8.300 nan 0.000 0.464 211 D N 1.113 121.616 120.400 0.170 0.000 2.568 211 D HA 0.360 5.000 4.640 -0.001 0.000 0.219 211 D C 0.409 176.769 176.300 0.100 0.000 1.239 211 D CA 0.128 54.211 54.000 0.139 0.000 1.096 211 D CB 1.943 42.883 40.800 0.233 0.000 1.198 211 D HN 0.505 nan 8.370 nan 0.000 0.620 212 T N -2.017 112.572 114.554 0.057 0.000 4.440 212 T HA 0.157 4.507 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 -0.559 61.539 62.100 -0.004 0.000 0.813 212 T CB -0.249 68.592 68.868 -0.045 0.000 1.037 212 T HN 0.544 nan 8.240 nan 0.000 0.588 213 R N 0.738 121.143 120.500 -0.158 0.000 2.873 213 R HA 0.568 4.907 4.340 -0.001 0.000 0.264 213 R C -0.677 175.428 176.300 -0.326 0.000 1.026 213 R CA -0.883 55.088 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 1.258 119.815 118.700 -0.239 0.000 2.508 214 N HA 0.068 4.808 4.740 -0.001 0.000 0.253 214 N C -0.739 174.709 175.510 -0.104 0.000 1.145 214 N CA -0.458 52.504 53.050 -0.148 0.000 0.973 214 N CB 0.122 38.432 38.487 -0.295 0.000 1.305 214 N HN 0.459 nan 8.380 nan 0.000 0.506 215 F N 3.137 123.104 119.950 0.028 0.000 2.646 215 F HA -0.017 4.510 4.527 -0.001 0.000 0.320 215 F C 1.144 176.976 175.800 0.054 0.000 1.307 215 F CA 0.267 58.241 58.000 -0.043 0.000 1.431 215 F CB -0.236 38.620 39.000 -0.240 0.000 1.297 215 F HN 0.591 nan 8.300 nan 0.000 0.556 216 R N -1.533 119.071 120.500 0.172 0.000 2.418 216 R HA 0.129 4.468 4.340 -0.001 0.000 0.218 216 R C -0.603 175.729 176.300 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 29.295 30.300 -0.121 0.000 1.366 216 R HN 0.394 nan 8.270 nan 0.000 0.767 217 L N -0.261 121.019 121.223 0.095 0.000 2.130 217 L HA 0.263 4.602 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 56.417 54.840 0.059 0.000 0.768 217 L CB -0.223 41.848 42.059 0.021 0.000 0.933 217 L HN 0.575 nan 8.230 nan 0.000 0.451 218 G N -0.134 108.741 108.800 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 0.663 175.630 174.900 0.112 0.000 1.119 218 G CA -0.288 44.868 45.100 0.093 0.000 0.766 218 G HN 0.154 nan 8.290 nan 0.000 0.552 219 F N 1.749 121.710 119.950 0.019 0.000 2.594 219 F HA 0.007 4.534 4.527 -0.001 0.000 0.384 219 F C 0.301 176.097 175.800 -0.006 0.000 1.060 219 F CA 0.035 58.045 58.000 0.016 0.000 1.278 219 F CB 0.597 39.599 39.000 0.004 0.000 0.977 219 F HN 0.016 nan 8.300 nan 0.000 0.576 220 D N 8.776 128.765 120.400 -0.684 0.000 2.381 220 D HA 0.204 4.843 4.640 -0.001 0.000 0.235 220 D C -1.641 174.284 176.300 -0.624 0.000 1.068 220 D CA -1.977 51.761 54.000 -0.436 0.000 0.832 220 D CB 1.976 42.582 40.800 -0.323 0.000 1.101 220 D HN 0.259 nan 8.370 nan 0.000 0.515 221 P HA -0.210 nan 4.420 nan 0.000 0.218 221 P C 1.261 178.558 177.300 -0.005 0.000 1.150 221 P CA 0.862 64.042 63.100 0.133 0.000 0.841 221 P CB 0.688 32.465 31.700 0.129 0.000 0.784 222 V N -0.207 119.644 119.914 -0.105 0.000 2.690 222 V HA -0.055 4.064 4.120 -0.001 0.000 0.240 222 V C 2.711 178.719 176.094 -0.144 0.000 1.078 222 V CA 2.272 64.519 62.300 -0.089 0.000 1.102 222 V CB -1.039 30.747 31.823 -0.061 0.000 0.800 222 V HN 0.225 nan 8.190 nan 0.000 0.479 223 T N -1.145 113.286 114.554 -0.204 0.000 2.977 223 T HA 0.042 4.392 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 1.447 63.424 62.100 -0.205 0.000 1.116 223 T CB -0.590 68.147 68.868 -0.219 0.000 0.878 223 T HN 1.698 nan 8.240 nan 0.000 0.509 224 G N 0.879 109.441 108.800 -0.397 0.000 2.198 224 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G C -0.166 174.534 174.900 -0.334 0.000 1.025 224 G CA 0.575 45.452 45.100 -0.372 0.000 0.769 224 G HN 0.697 nan 8.290 nan 0.000 0.507 225 L N -1.348 119.576 121.223 -0.498 0.000 2.409 225 L HA 0.507 4.846 4.340 -0.001 0.000 0.255 225 L C 0.545 177.286 176.870 -0.213 0.000 1.027 225 L CA -1.402 53.305 54.840 -0.222 0.000 0.834 225 L CB 2.262 44.230 42.059 -0.152 0.000 1.426 225 L HN -0.159 nan 8.230 nan 0.000 0.411 226 V N 3.042 122.946 119.914 -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 3.617 123.139 119.600 -0.130 0.000 2.345 227 M HA -0.209 4.271 4.480 -0.001 0.000 0.253 227 M C -0.004 176.211 176.300 -0.142 0.000 1.068 227 M CA 2.337 57.538 55.300 -0.164 0.000 1.069 227 M CB -2.486 30.011 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 0.231 228 P C 0.790 178.045 177.300 -0.076 0.000 1.154 228 P CA 1.656 64.713 63.100 -0.072 0.000 0.762 228 P CB -0.342 31.337 31.700 -0.034 0.000 0.790 229 G N -1.941 106.798 108.800 -0.103 0.000 2.175 229 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.265 229 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.265 229 G C 0.117 174.948 174.900 -0.114 0.000 0.979 229 G CA 0.182 45.221 45.100 -0.103 0.000 0.663 229 G HN 0.388 nan 8.290 nan 0.000 0.533 230 V N -0.185 119.655 119.914 -0.123 0.000 2.711 230 V HA 0.399 4.518 4.120 -0.001 0.000 0.304 230 V C -0.266 175.787 176.094 -0.069 0.000 1.097 230 V CA -1.502 60.741 62.300 -0.095 0.000 0.906 230 V CB 1.546 33.367 31.823 -0.004 0.000 1.015 230 V HN 0.257 nan 8.190 nan 0.000 0.427 231 Y N 1.962 122.339 120.300 0.129 0.000 2.650 231 Y HA 0.108 4.658 4.550 -0.001 0.000 0.342 231 Y C 1.523 177.437 175.900 0.023 0.000 1.110 231 Y CA 0.386 58.548 58.100 0.103 0.000 1.438 231 Y CB 0.640 39.209 38.460 0.183 0.000 1.181 231 Y HN 0.698 nan 8.280 nan 0.000 0.526 232 T N 4.214 118.856 114.554 0.147 0.000 2.695 232 T HA -0.131 4.219 4.350 -0.001 0.000 0.264 232 T C 0.969 175.713 174.700 0.074 0.000 0.993 232 T CA -0.524 61.634 62.100 0.098 0.000 1.248 232 T CB -0.551 68.378 68.868 0.102 0.000 0.946 232 T HN 0.739 nan 8.240 nan 0.000 0.526 233 N N 4.940 123.672 118.700 0.054 0.000 2.747 233 N HA -0.049 4.691 4.740 -0.001 0.000 0.252 233 N C -0.167 175.349 175.510 0.009 0.000 1.352 233 N CA 0.106 53.164 53.050 0.013 0.000 0.960 233 N CB -0.145 38.354 38.487 0.020 0.000 1.303 233 N HN 0.620 nan 8.380 nan 0.000 0.518 234 E N 0.094 120.338 120.200 0.073 0.000 2.277 234 E HA 0.396 4.746 4.350 -0.001 0.000 0.274 234 E C -0.538 175.986 176.600 -0.126 0.000 1.022 234 E CA -0.668 55.721 56.400 -0.019 0.000 0.853 234 E CB 1.752 31.481 29.700 0.047 0.000 1.086 234 E HN 0.430 nan 8.360 nan 0.000 0.397 235 A N 2.924 125.542 122.820 -0.337 0.000 2.366 235 A HA 0.446 4.766 4.320 -0.001 0.000 0.272 235 A C -0.782 176.447 177.584 -0.592 0.000 1.135 235 A CA -0.103 51.749 52.037 -0.308 0.000 0.804 235 A CB -0.292 18.578 19.000 -0.217 0.000 1.064 235 A HN 0.481 nan 8.150 nan 0.000 0.499 236 F N 3.419 123.277 119.950 -0.153 0.000 2.794 236 F HA 0.318 4.845 4.527 -0.001 0.000 0.353 236 F C 0.082 175.781 175.800 -0.169 0.000 1.371 236 F CA 0.006 57.909 58.000 -0.162 0.000 1.173 236 F CB 0.285 39.131 39.000 -0.257 0.000 1.693 236 F HN 0.854 nan 8.300 nan 0.000 0.606 237 H N 0.409 119.452 119.070 -0.044 0.000 4.495 237 H HA -0.121 4.435 4.556 -0.001 0.000 0.273 237 H C -2.999 172.320 175.328 -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 -0.267 177.154 177.300 0.202 0.000 1.193 238 P CA 0.926 63.950 63.100 -0.126 0.000 0.770 238 P CB 0.555 32.065 31.700 -0.316 0.000 0.836 239 D N 1.121 121.660 120.400 0.232 0.000 2.744 239 D HA 0.534 5.174 4.640 -0.001 0.000 0.304 239 D C -1.056 175.429 176.300 0.308 0.000 1.179 239 D CA -0.488 53.743 54.000 0.384 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 -0.043 120.711 120.570 0.306 0.000 2.534 240 I HA 0.359 4.529 4.170 -0.001 0.000 0.288 240 I C -0.856 175.303 176.117 0.069 0.000 1.077 240 I CA -0.802 60.587 61.300 0.148 0.000 1.051 240 I CB 1.932 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 6.943 127.441 120.570 -0.120 0.000 2.355 241 I HA 0.431 4.600 4.170 -0.001 0.000 0.288 241 I C -0.256 175.696 176.117 -0.275 0.000 0.999 241 I CA -0.332 60.848 61.300 -0.200 0.000 1.163 241 I CB 1.270 39.051 38.000 -0.365 0.000 1.316 241 I HN 0.323 nan 8.210 nan 0.000 0.454 242 L N 6.118 127.255 121.223 -0.143 0.000 2.347 242 L HA 0.657 4.997 4.340 -0.001 0.000 0.268 242 L C -0.380 176.403 176.870 -0.145 0.000 1.019 242 L CA -0.943 53.814 54.840 -0.139 0.000 0.806 242 L CB 1.825 43.901 42.059 0.029 0.000 1.339 242 L HN 0.447 nan 8.230 nan 0.000 0.463 243 L N -0.455 120.583 121.223 -0.308 0.000 2.277 243 L HA 0.526 4.866 4.340 -0.001 0.000 0.254 243 L C -2.476 173.661 176.870 -1.221 0.000 1.044 243 L CA -1.835 52.718 54.840 -0.478 0.000 0.842 243 L CB 3.003 44.914 42.059 -0.246 0.000 1.422 243 L HN 0.241 nan 8.230 nan 0.000 0.422 244 P HA 0.120 nan 4.420 nan 0.000 0.269 244 P C 0.241 177.142 177.300 -0.664 0.000 1.209 244 P CA 0.625 62.988 63.100 -1.229 0.000 0.776 244 P CB 0.559 32.008 31.700 -0.420 0.000 0.876 245 G N 0.621 109.175 108.800 -0.410 0.000 2.168 245 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.257 245 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.257 245 G C 0.184 174.583 174.900 -0.836 0.000 0.997 245 G CA 0.201 45.025 45.100 -0.462 0.000 0.708 245 G HN 0.869 nan 8.290 nan 0.000 0.520 246 C N -3.098 115.829 119.300 -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 -0.336 0.000 1.468 246 C CA -0.142 58.515 59.018 -0.601 0.000 1.287 246 C CB 1.677 28.995 27.740 -0.702 0.000 1.682 246 C HN 2.085 nan 8.230 nan 0.000 0.451 247 G N -1.051 107.538 108.800 -0.353 0.000 2.341 247 G HA2 0.642 4.602 3.960 -0.001 0.000 0.299 247 G HA3 0.642 4.602 3.960 -0.001 0.000 0.299 247 G C -2.020 172.859 174.900 -0.035 0.000 1.274 247 G CA 0.306 45.337 45.100 -0.116 0.000 0.853 247 G HN 2.030 nan 8.290 nan 0.000 0.493 248 V N 0.180 120.194 119.914 0.166 0.000 3.007 248 V HA 0.772 4.892 4.120 -0.001 0.000 0.311 248 V C -1.820 174.412 176.094 0.230 0.000 1.120 248 V CA -0.450 62.001 62.300 0.252 0.000 0.980 248 V CB 2.144 34.063 31.823 0.160 0.000 1.033 248 V HN 1.125 nan 8.190 nan 0.000 0.429 249 D N 3.535 124.006 120.400 0.119 0.000 2.780 249 D HA 0.397 5.037 4.640 -0.001 0.000 0.242 249 D C -0.757 175.425 176.300 -0.196 0.000 1.135 249 D CA -0.352 53.636 54.000 -0.020 0.000 0.859 249 D CB 1.847 42.565 40.800 -0.138 0.000 1.530 249 D HN 0.344 nan 8.370 nan 0.000 0.493 250 F N 1.192 121.218 119.950 0.127 0.000 2.688 250 F HA 0.142 4.669 4.527 -0.001 0.000 0.310 250 F C 2.197 178.093 175.800 0.160 0.000 1.098 250 F CA -0.313 57.810 58.000 0.206 0.000 1.228 250 F CB 0.600 39.758 39.000 0.262 0.000 1.042 250 F HN 0.330 nan 8.300 nan 0.000 0.557 251 T N -0.897 113.761 114.554 0.174 0.000 2.814 251 T HA -0.263 4.086 4.350 -0.001 0.000 0.264 251 T C 0.703 175.206 174.700 -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 -0.208 118.921 119.070 0.098 0.000 2.624 252 H HA 0.615 5.170 4.556 -0.001 0.000 0.233 252 H C -0.443 174.966 175.328 0.135 0.000 1.376 252 H CA -0.290 55.778 56.048 0.032 0.000 1.137 252 H CB 0.466 30.244 29.762 0.025 0.000 1.867 252 H HN 0.189 nan 8.280 nan 0.000 0.547 253 S N 0.314 116.177 115.700 0.273 0.000 2.548 253 S HA 0.284 4.754 4.470 -0.001 0.000 0.278 253 S C 0.343 175.097 174.600 0.257 0.000 1.150 253 S CA -0.718 57.685 58.200 0.338 0.000 0.907 253 S CB 1.314 64.798 63.200 0.473 0.000 1.108 253 S HN 0.453 nan 8.310 nan 0.000 0.459 254 R N 2.866 123.481 120.500 0.192 0.000 2.297 254 R HA 0.273 4.612 4.340 -0.001 0.000 0.197 254 R C 1.539 177.855 176.300 0.026 0.000 0.943 254 R CA 0.263 56.410 56.100 0.080 0.000 1.038 254 R CB -0.231 30.113 30.300 0.074 0.000 0.957 254 R HN 0.630 nan 8.270 nan 0.000 0.484 255 L N 0.551 121.832 121.223 0.097 0.000 2.189 255 L HA -0.260 4.079 4.340 -0.001 0.000 0.214 255 L C 2.583 179.292 176.870 -0.268 0.000 1.097 255 L CA 1.370 56.202 54.840 -0.014 0.000 0.764 255 L CB -0.540 41.586 42.059 0.112 0.000 0.900 255 L HN 0.274 nan 8.230 nan 0.000 0.436 256 S N 0.666 116.121 115.700 -0.408 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 -0.414 0.000 1.044 256 S CA 2.003 59.762 58.200 -0.735 0.000 1.050 256 S CB -0.326 62.647 63.200 -0.378 0.000 0.901 256 S HN 0.502 nan 8.310 nan 0.000 0.447 257 N N 1.567 120.117 118.700 -0.251 0.000 2.149 257 N HA -0.084 4.656 4.740 -0.001 0.000 0.188 257 N C 1.735 177.132 175.510 -0.188 0.000 1.019 257 N CA 1.338 54.274 53.050 -0.191 0.000 0.857 257 N CB -0.850 37.558 38.487 -0.131 0.000 0.997 257 N HN 0.418 nan 8.380 nan 0.000 0.426 258 L N 1.741 122.850 121.223 -0.190 0.000 2.012 258 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 258 L C 2.023 178.750 176.870 -0.239 0.000 1.073 258 L CA 1.362 56.095 54.840 -0.179 0.000 0.748 258 L CB -1.035 40.928 42.059 -0.160 0.000 0.891 258 L HN 0.111 nan 8.230 nan 0.000 0.431 259 L N -0.283 120.751 121.223 -0.315 0.000 2.046 259 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 259 L C 1.626 178.308 176.870 -0.314 0.000 1.077 259 L CA 1.016 55.653 54.840 -0.339 0.000 0.747 259 L CB -0.899 40.920 42.059 -0.399 0.000 0.896 259 L HN 0.600 nan 8.230 nan 0.000 0.432 260 G N 0.466 109.118 108.800 -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 -0.082 174.769 174.900 -0.083 0.000 1.031 260 G CA -0.444 44.592 45.100 -0.106 0.000 0.730 260 G HN 0.135 nan 8.290 nan 0.000 0.501 261 I N 0.633 121.023 120.570 -0.301 0.000 2.428 261 I HA 0.484 4.653 4.170 -0.001 0.000 0.279 261 I C 0.601 176.556 176.117 -0.270 0.000 1.040 261 I CA -0.743 60.254 61.300 -0.505 0.000 1.171 261 I CB 0.867 38.358 38.000 -0.849 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 0.403 4.743 4.340 -0.001 0.000 0.287 262 R C 0.053 176.179 176.300 -0.290 0.000 0.980 262 R CA -0.784 55.154 56.100 -0.270 0.000 0.966 262 R CB 2.097 32.261 30.300 -0.226 0.000 1.106 262 R HN 0.401 nan 8.270 nan 0.000 0.480 263 K N 1.559 121.665 120.400 -0.491 0.000 2.368 263 K HA -0.017 4.303 4.320 -0.001 0.000 0.282 263 K C 0.861 177.335 176.600 -0.210 0.000 1.035 263 K CA 0.017 56.068 56.287 -0.394 0.000 0.973 263 K CB 0.769 32.921 32.500 -0.581 0.000 0.957 263 K HN 0.341 nan 8.250 nan 0.000 0.474 264 R N 2.353 122.796 120.500 -0.095 0.000 2.293 264 R HA -0.141 4.198 4.340 -0.001 0.000 0.219 264 R C 0.098 176.387 176.300 -0.019 0.000 1.091 264 R CA 1.603 57.685 56.100 -0.030 0.000 1.004 264 R CB 0.105 30.428 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 -2.261 173.691 176.000 -0.081 0.000 0.787 265 Q CA -1.524 54.270 55.803 -0.015 0.000 0.904 265 Q CB 1.288 30.066 28.738 0.066 0.000 1.536 265 Q HN -0.025 nan 8.270 nan 0.000 0.387 266 P HA -0.269 nan 4.420 nan 0.000 0.230 266 P C 0.529 177.615 177.300 -0.358 0.000 1.150 266 P CA 1.559 64.411 63.100 -0.413 0.000 0.933 266 P CB -0.223 31.102 31.700 -0.625 0.000 0.785 267 F N -0.012 119.908 119.950 -0.050 0.000 2.729 267 F HA -0.048 4.479 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 0.371 58.349 58.000 -0.037 0.000 1.450 267 F CB -0.787 38.200 39.000 -0.022 0.000 1.109 267 F HN 0.001 nan 8.300 nan 0.000 0.561 268 Q N 1.430 121.264 119.800 0.056 0.000 2.431 268 Q HA 0.109 4.449 4.340 -0.001 0.000 0.249 268 Q C -0.088 175.921 176.000 0.015 0.000 1.025 268 Q CA -0.315 55.519 55.803 0.052 0.000 0.835 268 Q CB 1.197 29.970 28.738 0.058 0.000 1.207 268 Q HN 0.431 nan 8.270 nan 0.000 0.490 269 E N 1.539 121.750 120.200 0.017 0.000 2.529 269 E HA 0.191 4.540 4.350 -0.001 0.000 0.259 269 E C -0.101 176.493 176.600 -0.010 0.000 0.966 269 E CA 0.561 56.952 56.400 -0.015 0.000 0.937 269 E CB 0.292 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 3.964 112.749 108.800 -0.026 0.000 3.226 270 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.685 270 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.685 270 G C -1.062 173.963 174.900 0.208 0.000 1.207 270 G CA -0.480 44.638 45.100 0.030 0.000 0.877 270 G HN 0.501 nan 8.290 nan 0.000 0.585 271 F N 3.738 123.701 119.950 0.021 0.000 2.809 271 F HA 0.526 5.052 4.527 -0.000 0.000 0.369 271 F C 0.449 176.361 175.800 0.186 0.000 1.225 271 F CA -1.020 57.062 58.000 0.137 0.000 1.201 271 F CB 0.726 39.811 39.000 0.142 0.000 1.527 271 F HN 0.411 nan 8.300 nan 0.000 0.565 272 R N 4.789 125.425 120.500 0.228 0.000 2.445 272 R HA 0.594 4.934 4.340 -0.001 0.000 0.308 272 R C -1.173 175.233 176.300 0.177 0.000 0.961 272 R CA -0.844 55.328 56.100 0.120 0.000 0.862 272 R CB 2.905 33.255 30.300 0.084 0.000 1.144 272 R HN 0.593 nan 8.270 nan 0.000 0.447 273 I N 3.014 123.680 120.570 0.159 0.000 2.476 273 I HA 0.256 4.425 4.170 -0.001 0.000 0.281 273 I C -0.371 175.874 176.117 0.213 0.000 1.040 273 I CA -0.135 61.310 61.300 0.241 0.000 1.094 273 I CB 1.505 39.577 38.000 0.120 0.000 1.219 273 I HN 0.730 nan 8.210 nan 0.000 0.450 274 T N 2.986 117.663 114.554 0.205 0.000 2.870 274 T HA 0.283 4.633 4.350 -0.001 0.000 0.277 274 T C 0.878 175.689 174.700 0.186 0.000 1.000 274 T CA -0.256 61.946 62.100 0.170 0.000 0.982 274 T CB 1.048 70.009 68.868 0.155 0.000 1.249 274 T HN 0.497 nan 8.240 nan 0.000 0.589 275 Y N 1.292 121.592 120.300 -0.001 0.000 2.030 275 Y HA -0.162 4.387 4.550 -0.001 0.000 0.274 275 Y C 2.275 178.192 175.900 0.028 0.000 1.153 275 Y CA 2.381 60.478 58.100 -0.005 0.000 1.115 275 Y CB -0.952 37.478 38.460 -0.051 0.000 0.969 275 Y HN 0.740 nan 8.280 nan 0.000 0.488 276 D N -0.073 120.360 120.400 0.055 0.000 2.239 276 D HA -0.217 4.422 4.640 -0.001 0.000 0.202 276 D C 1.484 177.757 176.300 -0.044 0.000 0.993 276 D CA 1.639 55.611 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 0.784 121.201 120.400 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 54.252 54.000 0.086 0.000 0.831 277 D CB -0.171 40.745 40.800 0.194 0.000 0.987 277 D HN 0.228 nan 8.370 nan 0.000 0.460 278 L N 2.066 123.353 121.223 0.106 0.000 2.505 278 L HA 0.058 4.398 4.340 -0.001 0.000 0.275 278 L C 0.646 177.468 176.870 -0.080 0.000 1.264 278 L CA 0.179 55.060 54.840 0.069 0.000 1.148 278 L CB -0.419 41.691 42.059 0.084 0.000 1.377 278 L HN -0.034 nan 8.230 nan 0.000 0.442 279 E N 2.032 122.202 120.200 -0.050 0.000 2.214 279 E HA 0.483 4.832 4.350 -0.001 0.000 0.274 279 E C 0.158 176.704 176.600 -0.089 0.000 0.977 279 E CA -0.430 55.910 56.400 -0.100 0.000 0.827 279 E CB 1.603 31.264 29.700 -0.065 0.000 1.130 279 E HN 0.531 nan 8.360 nan 0.000 0.394 280 G N 1.744 110.479 108.800 -0.108 0.000 2.920 280 G HA2 0.051 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 0.204 45.237 45.100 -0.111 0.000 0.853 280 G HN 1.143 nan 8.290 nan 0.000 0.333 281 G N 0.673 109.344 108.800 -0.214 0.000 2.511 281 G HA2 0.123 4.083 3.960 -0.001 0.000 0.205 281 G HA3 0.123 4.083 3.960 -0.001 0.000 0.205 281 G C -0.315 174.461 174.900 -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 0.220 118.732 118.700 -0.314 0.000 2.479 282 N HA 0.567 5.306 4.740 -0.001 0.000 0.285 282 N C 0.779 176.135 175.510 -0.257 0.000 1.075 282 N CA -0.554 52.372 53.050 -0.207 0.000 0.967 282 N CB 1.236 39.633 38.487 -0.150 0.000 1.137 282 N HN 0.316 nan 8.380 nan 0.000 0.472 283 I N 2.816 123.308 120.570 -0.130 0.000 2.752 283 I HA -0.012 4.158 4.170 -0.001 0.000 0.286 283 I C -1.881 174.281 176.117 0.076 0.000 1.180 283 I CA -0.991 60.252 61.300 -0.095 0.000 1.404 283 I CB 0.125 37.960 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 -0.617 177.003 177.300 0.533 0.000 1.223 284 P CA -0.211 63.210 63.100 0.535 0.000 0.785 284 P CB 0.660 32.768 31.700 0.679 0.000 0.923 285 A N 2.459 125.545 122.820 0.443 0.000 2.302 285 A HA 0.416 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 -0.574 51.668 52.037 0.341 0.000 0.816 285 A CB -0.248 18.903 19.000 0.252 0.000 1.067 285 A HN 0.490 nan 8.150 nan 0.000 0.489 286 L N 1.914 123.181 121.223 0.074 0.000 2.416 286 L HA 0.216 4.556 4.340 -0.001 0.000 0.272 286 L C 0.500 177.346 176.870 -0.041 0.000 1.161 286 L CA -0.194 54.583 54.840 -0.105 0.000 0.845 286 L CB 0.589 42.549 42.059 -0.164 0.000 1.119 286 L HN 0.752 nan 8.230 nan 0.000 0.464 287 L N 2.686 123.862 121.223 -0.079 0.000 2.439 287 L HA 0.150 4.490 4.340 -0.001 0.000 0.269 287 L C 0.384 177.214 176.870 -0.068 0.000 1.179 287 L CA -0.311 54.480 54.840 -0.083 0.000 0.828 287 L CB 0.764 42.740 42.059 -0.139 0.000 1.106 287 L HN 0.562 nan 8.230 nan 0.000 0.467 288 D N 3.323 123.697 120.400 -0.044 0.000 2.342 288 D HA 0.033 4.672 4.640 -0.001 0.000 0.260 288 D C 1.084 177.385 176.300 0.002 0.000 1.278 288 D CA -0.041 53.945 54.000 -0.024 0.000 0.910 288 D CB 1.367 42.162 40.800 -0.009 0.000 1.079 288 D HN 0.491 nan 8.370 nan 0.000 0.496 289 V N 4.328 124.237 119.914 -0.008 0.000 2.261 289 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 289 V C 2.009 178.147 176.094 0.072 0.000 1.047 289 V CA 1.395 63.705 62.300 0.017 0.000 1.015 289 V CB -0.294 31.528 31.823 -0.002 0.000 0.642 289 V HN 0.539 nan 8.190 nan 0.000 0.446 290 D N 0.647 121.070 120.400 0.038 0.000 2.078 290 D HA -0.151 4.489 4.640 -0.001 0.000 0.193 290 D C 2.316 178.642 176.300 0.043 0.000 0.990 290 D CA 1.811 55.831 54.000 0.034 0.000 0.827 290 D CB -0.413 40.392 40.800 0.008 0.000 0.975 290 D HN 0.395 nan 8.370 nan 0.000 0.451 291 A N 0.664 123.507 122.820 0.038 0.000 1.915 291 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 291 A C 2.227 179.845 177.584 0.057 0.000 1.198 291 A CA 1.959 54.016 52.037 0.033 0.000 0.647 291 A CB -1.296 17.722 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 4.328 4.550 -0.001 0.000 0.287 292 Y C 2.748 178.633 175.900 -0.026 0.000 1.134 292 Y CA 2.300 60.382 58.100 -0.030 0.000 1.133 292 Y CB -0.285 38.156 38.460 -0.033 0.000 0.987 292 Y HN 0.302 nan 8.280 nan 0.000 0.502 293 Q N 0.217 120.084 119.800 0.111 0.000 2.030 293 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 293 Q C 2.546 178.509 176.000 -0.061 0.000 0.986 293 Q CA 1.653 57.465 55.803 0.014 0.000 0.843 293 Q CB -1.043 27.734 28.738 0.065 0.000 0.904 293 Q HN 0.616 nan 8.270 nan 0.000 0.420 294 A N 0.652 123.452 122.820 -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 4.977 4.470 -0.001 0.000 0.270 295 S C -0.166 174.330 174.600 -0.173 0.000 1.194 295 S CA 0.052 58.168 58.200 -0.139 0.000 0.990 295 S CB 0.418 63.520 63.200 -0.163 0.000 1.029 295 S HN 0.987 nan 8.310 nan 0.000 0.560 296 L N 0.830 121.963 121.223 -0.151 0.000 2.869 296 L HA -0.022 4.317 4.340 -0.001 0.000 0.656 296 L C 0.338 177.156 176.870 -0.087 0.000 1.328 296 L CA 0.993 55.753 54.840 -0.134 0.000 1.185 296 L CB -1.662 40.292 42.059 -0.175 0.000 1.974 296 L HN 0.896 nan 8.230 nan 0.000 0.851 297 K N -1.020 119.339 120.400 -0.069 0.000 2.826 297 K HA 0.219 4.539 4.320 -0.001 0.000 0.195 297 K C 0.309 176.884 176.600 -0.042 0.000 1.516 297 K CA 0.267 56.525 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 0.405 nan 8.250 nan 0.000 0.583 374 Q N 0.214 120.005 119.800 -0.016 0.000 1.882 374 Q HA 0.132 4.471 4.340 -0.001 0.000 0.188 374 Q C -0.375 175.611 176.000 -0.023 0.000 0.795 374 Q CA 0.100 55.890 55.803 -0.021 0.000 0.932 374 Q CB 0.905 29.631 28.738 -0.021 0.000 1.239 374 Q HN 0.622 nan 8.270 nan 0.000 0.406 375 K N 0.788 121.177 120.400 -0.018 0.000 2.604 375 K HA -0.072 4.248 4.320 -0.001 0.000 0.277 375 K C -0.286 176.300 176.600 -0.023 0.000 0.966 375 K CA 0.735 57.012 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 -0.166 nan 8.250 nan 0.000 0.511 376 K N 0.958 121.349 120.400 -0.014 0.000 2.185 376 K HA 0.217 4.537 4.320 -0.001 0.000 0.240 376 K C -1.752 174.853 176.600 0.009 0.000 0.983 376 K CA -2.105 54.166 56.287 -0.027 0.000 0.873 376 K CB 1.131 33.616 32.500 -0.025 0.000 1.118 376 K HN 0.504 nan 8.250 nan 0.000 0.441 377 P HA -0.089 nan 4.420 nan 0.000 0.239 377 P C 1.091 178.479 177.300 0.147 0.000 1.184 377 P CA 0.475 63.605 63.100 0.051 0.000 0.760 377 P CB 0.127 31.835 31.700 0.013 0.000 0.884 378 V N 1.831 121.877 119.914 0.220 0.000 2.239 378 V HA -0.316 3.804 4.120 -0.001 0.000 0.246 378 V C 2.640 178.758 176.094 0.041 0.000 1.037 378 V CA 2.341 64.740 62.300 0.165 0.000 1.012 378 V CB -1.241 30.648 31.823 0.110 0.000 0.650 378 V HN 0.037 nan 8.190 nan 0.000 0.467 379 I N -0.876 119.702 120.570 0.013 0.000 2.310 379 I HA -0.358 3.812 4.170 -0.001 0.000 0.256 379 I C 1.417 177.523 176.117 -0.019 0.000 1.060 379 I CA 1.464 62.755 61.300 -0.017 0.000 1.362 379 I CB -0.607 37.384 38.000 -0.014 0.000 1.044 379 I HN 0.284 nan 8.210 nan 0.000 0.443 380 K N 3.302 123.701 120.400 -0.002 0.000 2.307 380 K HA 0.069 4.388 4.320 -0.001 0.000 0.285 380 K C -2.155 174.433 176.600 -0.019 0.000 1.073 380 K CA -1.285 54.996 56.287 -0.009 0.000 0.996 380 K CB 0.349 32.849 32.500 0.001 0.000 0.994 380 K HN 0.061 nan 8.250 nan 0.000 0.452 381 P HA 0.048 nan 4.420 nan 0.000 0.297 381 P C -0.412 176.872 177.300 -0.027 0.000 1.319 381 P CA -0.762 62.328 63.100 -0.017 0.000 0.810 381 P CB 0.980 32.680 31.700 -0.000 0.000 0.947 382 L N 3.913 125.110 121.223 -0.043 0.000 2.536 382 L HA -0.049 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 1.610 116.029 114.554 -0.224 0.000 2.987 383 T HA 0.272 4.621 4.350 -0.001 0.000 0.248 383 T C -0.080 174.378 174.700 -0.403 0.000 0.997 383 T CA 0.089 62.059 62.100 -0.216 0.000 1.013 383 T CB 0.389 69.188 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 55.313 56.400 -0.463 0.000 0.823 384 E CB 1.899 31.497 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 -1.052 175.260 176.300 0.019 0.000 1.114 385 D CA -0.501 53.468 54.000 -0.053 0.000 0.858 385 D CB 1.977 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 -0.191 4.278 4.470 -0.001 0.000 0.512 386 S C 0.462 175.090 174.600 0.047 0.000 1.063 386 S CA 0.924 59.140 58.200 0.026 0.000 0.904 386 S CB -0.141 63.078 63.200 0.032 0.000 0.778 386 S HN 0.610 nan 8.310 nan 0.000 0.467 387 K N 0.419 120.842 120.400 0.038 0.000 3.424 387 K HA -0.151 4.169 4.320 -0.001 0.000 0.297 387 K C -0.487 176.146 176.600 0.056 0.000 1.365 387 K CA 0.648 56.965 56.287 0.051 0.000 0.889 387 K CB -1.384 31.159 32.500 0.071 0.000 1.455 387 K HN 0.818 nan 8.250 nan 0.000 0.483 388 K N 0.870 121.290 120.400 0.033 0.000 4.789 388 K HA -0.268 4.052 4.320 -0.001 0.000 0.290 388 K C -0.691 175.936 176.600 0.045 0.000 0.798 388 K CA 1.161 57.458 56.287 0.017 0.000 0.860 388 K CB -0.902 31.603 32.500 0.008 0.000 1.852 388 K HN 0.319 nan 8.250 nan 0.000 0.413 389 R N 1.240 121.784 120.500 0.073 0.000 2.255 389 R HA 0.237 4.576 4.340 -0.001 0.000 0.326 389 R C -0.094 176.283 176.300 0.128 0.000 0.986 389 R CA -0.688 55.488 56.100 0.128 0.000 0.847 389 R CB 1.402 31.827 30.300 0.207 0.000 1.111 389 R HN 0.156 nan 8.270 nan 0.000 0.452 390 S N 2.289 118.049 115.700 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 0.205 0.000 1.314 390 S CA -0.121 58.129 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 1.783 122.028 120.300 -0.092 0.000 2.532 391 Y HA 0.195 4.745 4.550 -0.001 0.000 0.283 391 Y C 0.719 176.445 175.900 -0.289 0.000 1.181 391 Y CA -1.490 56.506 58.100 -0.174 0.000 1.256 391 Y CB -1.168 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 1.223 119.881 118.700 -0.070 0.000 2.664 392 N HA -0.218 4.521 4.740 -0.001 0.000 0.296 392 N C -1.235 174.227 175.510 -0.080 0.000 1.153 392 N CA 0.424 53.405 53.050 -0.115 0.000 0.765 392 N CB -0.639 37.712 38.487 -0.228 0.000 0.962 392 N HN 0.126 nan 8.380 nan 0.000 0.564 393 L N 1.848 123.068 121.223 -0.005 0.000 2.312 393 L HA 0.352 4.692 4.340 -0.001 0.000 0.281 393 L C 2.079 178.971 176.870 0.036 0.000 1.070 393 L CA -0.250 54.610 54.840 0.033 0.000 0.805 393 L CB 0.817 42.907 42.059 0.051 0.000 1.174 393 L HN 0.402 nan 8.230 nan 0.000 0.434 394 I N 0.444 121.053 120.570 0.065 0.000 2.053 394 I HA -0.288 3.882 4.170 -0.001 0.000 0.236 394 I C 0.825 176.969 176.117 0.045 0.000 1.038 394 I CA 1.552 62.893 61.300 0.068 0.000 1.304 394 I CB 0.358 38.419 38.000 0.101 0.000 1.023 394 I HN 0.669 nan 8.210 nan 0.000 0.395 395 S N 0.446 116.168 115.700 0.037 0.000 2.704 395 S HA 0.204 4.674 4.470 -0.001 0.000 0.305 395 S C 0.538 175.144 174.600 0.011 0.000 1.107 395 S CA -0.235 57.976 58.200 0.020 0.000 0.993 395 S CB 1.545 64.752 63.200 0.012 0.000 1.110 395 S HN 0.565 nan 8.310 nan 0.000 0.534 396 N N 0.855 119.557 118.700 0.004 0.000 2.571 396 N HA -0.073 4.667 4.740 -0.001 0.000 0.189 396 N C 0.428 175.933 175.510 -0.008 0.000 1.154 396 N CA 0.701 53.749 53.050 -0.002 0.000 0.907 396 N CB -0.001 38.484 38.487 -0.004 0.000 0.977 396 N HN 0.534 nan 8.380 nan 0.000 0.449 397 D N 0.403 120.797 120.400 -0.010 0.000 2.844 397 D HA 0.091 4.730 4.640 -0.001 0.000 0.271 397 D C -0.274 176.003 176.300 -0.037 0.000 1.386 397 D CA 0.209 54.195 54.000 -0.023 0.000 1.053 397 D CB -0.030 40.757 40.800 -0.021 0.000 1.107 397 D HN 0.027 nan 8.370 nan 0.000 0.395 398 S N 0.202 115.877 115.700 -0.042 0.000 2.593 398 S HA -0.061 4.409 4.470 -0.001 0.000 0.303 398 S C 1.238 175.788 174.600 -0.083 0.000 1.267 398 S CA 0.723 58.873 58.200 -0.084 0.000 1.047 398 S CB 0.745 63.922 63.200 -0.039 0.000 0.777 398 S HN 0.468 nan 8.310 nan 0.000 0.498 399 T N 0.017 114.448 114.554 -0.205 0.000 3.148 399 T HA 0.200 4.549 4.350 -0.001 0.000 0.253 399 T C 0.175 174.922 174.700 0.079 0.000 1.134 399 T CA 0.246 62.270 62.100 -0.126 0.000 1.051 399 T CB -0.461 68.280 68.868 -0.211 0.000 0.959 399 T HN 0.469 nan 8.240 nan 0.000 0.525 400 F N 2.763 122.766 119.950 0.089 0.000 2.420 400 F HA 0.430 4.957 4.527 -0.001 0.000 0.342 400 F C 1.273 177.116 175.800 0.071 0.000 1.113 400 F CA -1.493 56.564 58.000 0.095 0.000 1.059 400 F CB 1.394 40.440 39.000 0.077 0.000 1.128 400 F HN 0.006 nan 8.300 nan 0.000 0.475 401 T N -0.261 114.459 114.554 0.276 0.000 2.849 401 T HA 0.122 4.471 4.350 -0.001 0.000 0.284 401 T C 0.694 175.441 174.700 0.079 0.000 1.004 401 T CA -0.562 61.603 62.100 0.109 0.000 1.021 401 T CB 1.433 70.313 68.868 0.020 0.000 1.013 401 T HN 0.726 nan 8.240 nan 0.000 0.527 402 Q N -0.154 119.644 119.800 -0.003 0.000 2.297 402 Q HA 0.039 4.379 4.340 -0.001 0.000 0.204 402 Q C -0.117 176.007 176.000 0.207 0.000 0.962 402 Q CA 0.586 56.446 55.803 0.094 0.000 0.879 402 Q CB -0.160 28.594 28.738 0.027 0.000 0.947 402 Q HN 0.702 nan 8.270 nan 0.000 0.462 403 Y N 1.481 121.777 120.300 -0.008 0.000 2.632 403 Y HA 0.005 4.555 4.550 -0.001 0.000 0.329 403 Y C 0.415 176.286 175.900 -0.048 0.000 1.174 403 Y CA -0.341 57.709 58.100 -0.085 0.000 1.469 403 Y CB 0.348 38.659 38.460 -0.247 0.000 1.242 403 Y HN -0.008 nan 8.280 nan 0.000 0.540 404 R N 2.257 122.873 120.500 0.192 0.000 2.494 404 R HA 0.337 4.677 4.340 -0.001 0.000 0.305 404 R C -0.753 175.563 176.300 0.027 0.000 0.959 404 R CA -0.677 55.476 56.100 0.087 0.000 0.864 404 R CB 2.025 32.389 30.300 0.107 0.000 1.159 404 R HN 0.480 nan 8.270 nan 0.000 0.446 405 S N 1.509 117.216 115.700 0.013 0.000 2.475 405 S HA 0.131 4.601 4.470 -0.001 0.000 0.298 405 S C 0.419 175.118 174.600 0.165 0.000 1.119 405 S CA -0.755 57.503 58.200 0.097 0.000 1.085 405 S CB 0.731 64.022 63.200 0.152 0.000 1.028 405 S HN 0.712 nan 8.310 nan 0.000 0.489 406 W N 5.446 126.806 121.300 0.100 0.000 2.353 406 W HA -0.151 4.509 4.660 -0.001 0.000 0.319 406 W C 1.656 178.257 176.519 0.136 0.000 1.207 406 W CA 1.816 59.223 57.345 0.103 0.000 1.291 406 W CB -0.988 28.527 29.460 0.091 0.000 1.159 406 W HN 0.971 nan 8.180 nan 0.000 0.478 407 Y N 0.774 121.060 120.300 -0.023 0.000 2.062 407 Y HA -0.378 4.172 4.550 -0.001 0.000 0.276 407 Y C 2.356 178.095 175.900 -0.268 0.000 1.189 407 Y CA 2.788 60.729 58.100 -0.265 0.000 1.130 407 Y CB -1.163 37.331 38.460 0.057 0.000 0.959 407 Y HN -0.003 nan 8.280 nan 0.000 0.499 408 L N -0.128 121.117 121.223 0.037 0.000 1.990 408 L HA -0.276 4.064 4.340 -0.001 0.000 0.213 408 L C 2.724 179.519 176.870 -0.126 0.000 1.072 408 L CA 2.172 57.044 54.840 0.053 0.000 0.755 408 L CB -1.586 40.524 42.059 0.084 0.000 0.889 408 L HN 0.365 nan 8.230 nan 0.000 0.432 409 A N -1.449 121.260 122.820 -0.186 0.000 1.842 409 A HA -0.345 3.975 4.320 -0.001 0.000 0.217 409 A C 2.300 179.684 177.584 -0.332 0.000 1.206 409 A CA 2.103 54.015 52.037 -0.208 0.000 0.630 409 A CB -1.383 17.531 19.000 -0.143 0.000 0.839 409 A HN 0.480 nan 8.150 nan 0.000 0.447 410 Y N 1.386 121.259 120.300 -0.711 0.000 2.062 410 Y HA -0.308 4.241 4.550 -0.001 0.000 0.276 410 Y C 2.377 177.885 175.900 -0.653 0.000 1.189 410 Y CA 2.594 60.234 58.100 -0.765 0.000 1.130 410 Y CB -0.222 37.450 38.460 -1.313 0.000 0.959 410 Y HN 0.386 nan 8.280 nan 0.000 0.499 411 N N -1.830 116.428 118.700 -0.738 0.000 2.333 411 N HA -0.121 4.619 4.740 -0.001 0.000 0.178 411 N C 1.256 176.233 175.510 -0.888 0.000 1.018 411 N CA 1.526 54.023 53.050 -0.921 0.000 0.882 411 N CB -0.249 37.444 38.487 -1.322 0.000 0.984 411 N HN 0.499 nan 8.380 nan 0.000 0.434 412 Y N -0.000 120.090 120.300 -0.349 0.000 2.535 412 Y HA 0.332 4.882 4.550 -0.001 0.000 0.264 412 Y C 1.598 177.360 175.900 -0.230 0.000 1.087 412 Y CA -0.459 57.478 58.100 -0.272 0.000 1.285 412 Y CB 0.442 38.742 38.460 -0.267 0.000 1.200 412 Y HN -0.128 nan 8.280 nan 0.000 0.514 413 G N 0.375 109.110 108.800 -0.108 0.000 2.348 413 G HA2 0.133 4.093 3.960 -0.001 0.000 0.312 413 G HA3 0.133 4.093 3.960 -0.001 0.000 0.312 413 G C -0.909 173.919 174.900 -0.120 0.000 1.126 413 G CA -0.443 44.597 45.100 -0.100 0.000 0.865 413 G HN 0.095 nan 8.290 nan 0.000 0.474 414 D N 2.285 122.634 120.400 -0.085 0.000 7.547 414 D HA -0.129 4.511 4.640 -0.001 0.000 0.125 414 D C -1.212 175.025 176.300 -0.105 0.000 1.148 414 D CA -0.260 53.693 54.000 -0.078 0.000 0.811 414 D CB 0.902 41.674 40.800 -0.047 0.000 1.599 414 D HN 0.075 nan 8.370 nan 0.000 0.920 415 P HA -0.092 nan 4.420 nan 0.000 0.219 415 P C 1.005 178.246 177.300 -0.098 0.000 1.150 415 P CA 1.065 64.064 63.100 -0.169 0.000 0.814 415 P CB 0.193 31.780 31.700 -0.188 0.000 0.787 416 Q N -2.074 117.690 119.800 -0.060 0.000 2.451 416 Q HA 0.066 4.405 4.340 -0.001 0.000 0.206 416 Q C 1.084 177.086 176.000 0.002 0.000 0.947 416 Q CA 0.978 56.766 55.803 -0.025 0.000 0.937 416 Q CB -0.005 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 -1.218 113.338 114.554 0.002 0.000 3.057 417 T HA 0.134 4.484 4.350 -0.001 0.000 0.254 417 T C 0.859 175.595 174.700 0.060 0.000 0.965 417 T CA 0.270 62.385 62.100 0.025 0.000 0.978 417 T CB 0.314 69.184 68.868 0.004 0.000 1.169 417 T HN 0.365 nan 8.240 nan 0.000 0.489 418 G N 1.105 109.924 108.800 0.032 0.000 2.518 418 G HA2 0.237 4.197 3.960 -0.001 0.000 0.284 418 G HA3 0.237 4.197 3.960 -0.001 0.000 0.284 418 G C 0.994 176.019 174.900 0.208 0.000 1.362 418 G CA -0.337 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 4.051 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 0.938 62.486 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 -0.085 0.000 1.161 420 R CA 1.812 57.704 56.100 -0.345 0.000 0.997 420 R CB -0.323 29.579 30.300 -0.663 0.000 0.870 420 R HN 0.365 nan 8.270 nan 0.000 0.465 421 S N -0.238 115.506 115.700 0.072 0.000 2.317 421 S HA -0.097 4.373 4.470 -0.001 0.000 0.212 421 S C 1.534 176.268 174.600 0.224 0.000 1.030 421 S CA 0.874 59.164 58.200 0.149 0.000 0.970 421 S CB -0.488 62.837 63.200 0.209 0.000 0.928 421 S HN 0.674 nan 8.310 nan 0.000 0.451 422 W N 2.034 123.404 121.300 0.117 0.000 3.256 422 W HA 0.390 5.049 4.660 -0.001 0.000 0.269 422 W C 0.487 177.118 176.519 0.185 0.000 1.310 422 W CA 0.156 57.581 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 1.442 115.775 114.554 -0.369 0.000 2.888 423 T HA 0.618 4.967 4.350 -0.001 0.000 0.288 423 T C -1.569 173.158 174.700 0.046 0.000 1.063 423 T CA -0.515 61.401 62.100 -0.307 0.000 1.010 423 T CB 1.794 70.423 68.868 -0.398 0.000 1.214 423 T HN -0.029 nan 8.240 nan 0.000 0.533 424 L N 3.084 124.300 121.223 -0.012 0.000 2.438 424 L HA 0.713 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 53.968 54.840 0.012 0.000 0.831 424 L CB 1.633 43.686 42.059 -0.009 0.000 1.273 424 L HN 0.593 nan 8.230 nan 0.000 0.405 425 L N 6.389 127.417 121.223 -0.325 0.000 2.319 425 L HA 0.745 5.084 4.340 -0.001 0.000 0.280 425 L C -0.460 176.356 176.870 -0.089 0.000 1.099 425 L CA 0.144 54.800 54.840 -0.308 0.000 0.828 425 L CB 0.191 41.864 42.059 -0.643 0.000 1.150 425 L HN 0.920 nan 8.230 nan 0.000 0.442 426 C N 0.280 119.585 119.300 0.009 0.000 3.321 426 C HA 0.569 5.029 4.460 -0.001 0.000 0.329 426 C C 0.338 175.416 174.990 0.146 0.000 1.394 426 C CA -0.981 58.075 59.018 0.064 0.000 1.291 426 C CB 0.768 28.510 27.740 0.003 0.000 1.606 426 C HN 0.813 nan 8.230 nan 0.000 0.463 427 T N 3.412 118.016 114.554 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 0.542 62.671 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 1.095 64.121 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 -1.893 118.468 120.400 -0.064 0.000 5.036 429 D HA -0.109 4.531 4.640 -0.001 0.000 0.231 429 D C 0.660 176.930 176.300 -0.051 0.000 1.396 429 D CA 0.509 54.481 54.000 -0.047 0.000 1.180 429 D CB -0.452 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 2.689 122.584 119.914 -0.031 0.000 2.379 430 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 430 V C 2.726 178.803 176.094 -0.029 0.000 1.044 430 V CA 2.899 65.181 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 -2.666 111.877 114.554 -0.017 0.000 2.882 431 T HA -0.353 3.997 4.350 -0.001 0.000 0.268 431 T C 1.418 176.106 174.700 -0.021 0.000 1.104 431 T CA 1.662 63.752 62.100 -0.016 0.000 1.118 431 T CB -1.416 67.455 68.868 0.005 0.000 0.831 431 T HN 1.170 nan 8.240 nan 0.000 0.529 432 C N -0.352 118.930 119.300 -0.030 0.000 4.933 432 C HA 0.101 4.560 4.460 -0.001 0.000 0.249 432 C C 1.144 176.116 174.990 -0.031 0.000 1.406 432 C CA 0.521 59.519 59.018 -0.034 0.000 1.505 432 C CB -2.108 25.626 27.740 -0.010 0.000 1.870 432 C HN 1.833 nan 8.230 nan 0.000 0.651 433 G N 0.012 108.798 108.800 -0.024 0.000 2.693 433 G HA2 0.364 4.324 3.960 -0.001 0.000 0.290 433 G HA3 0.364 4.324 3.960 -0.001 0.000 0.290 433 G C -0.507 174.390 174.900 -0.004 0.000 1.378 433 G CA 0.016 45.102 45.100 -0.023 0.000 1.120 433 G HN 0.860 nan 8.290 nan 0.000 0.609 434 S N 2.486 118.184 115.700 -0.002 0.000 2.571 434 S HA 0.303 4.772 4.470 -0.001 0.000 0.297 434 S C 0.375 174.986 174.600 0.018 0.000 1.234 434 S CA 0.055 58.265 58.200 0.016 0.000 1.120 434 S CB 0.835 64.042 63.200 0.012 0.000 0.923 434 S HN 0.548 nan 8.310 nan 0.000 0.504 435 E N 2.535 122.749 120.200 0.023 0.000 2.235 435 E HA 0.325 4.674 4.350 -0.001 0.000 0.265 435 E C 0.119 176.725 176.600 0.009 0.000 0.940 435 E CA -0.823 55.584 56.400 0.013 0.000 0.819 435 E CB 1.174 30.881 29.700 0.013 0.000 1.206 435 E HN 0.665 nan 8.360 nan 0.000 0.409 436 Q N 0.123 119.908 119.800 -0.026 0.000 2.333 436 Q HA 0.642 4.982 4.340 -0.001 0.000 0.266 436 Q C -0.287 175.603 176.000 -0.184 0.000 1.053 436 Q CA -0.969 54.811 55.803 -0.038 0.000 0.890 436 Q CB 1.320 30.077 28.738 0.032 0.000 1.337 436 Q HN 0.262 nan 8.270 nan 0.000 0.474 437 V N -2.226 117.600 119.914 -0.146 0.000 3.001 437 V HA 0.667 4.786 4.120 -0.001 0.000 0.314 437 V C -1.187 174.857 176.094 -0.083 0.000 1.099 437 V CA -1.078 61.082 62.300 -0.233 0.000 0.989 437 V CB 1.644 33.382 31.823 -0.143 0.000 1.040 437 V HN 0.792 nan 8.190 nan 0.000 0.434 438 Y N 0.083 120.390 120.300 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 -0.712 57.435 58.100 0.079 0.000 1.100 438 Y CB 1.798 40.336 38.460 0.129 0.000 1.179 438 Y HN 0.701 nan 8.280 nan 0.000 0.454 439 W N 1.843 123.239 121.300 0.161 0.000 2.283 439 W HA 0.564 5.224 4.660 -0.000 0.000 0.341 439 W C -0.477 176.069 176.519 0.045 0.000 1.206 439 W CA -0.095 57.279 57.345 0.048 0.000 1.294 439 W CB 1.398 30.783 29.460 -0.124 0.000 1.154 439 W HN 0.341 nan 8.180 nan 0.000 0.613 440 S N 1.528 117.412 115.700 0.306 0.000 2.562 440 S HA 0.511 4.981 4.470 -0.001 0.000 0.274 440 S C -1.047 173.587 174.600 0.056 0.000 1.160 440 S CA -0.936 57.361 58.200 0.163 0.000 0.933 440 S CB 0.638 63.984 63.200 0.243 0.000 1.100 440 S HN 0.438 nan 8.310 nan 0.000 0.468 441 L N 2.121 123.320 121.223 -0.041 0.000 2.913 441 L HA 0.308 4.648 4.340 -0.001 0.000 0.283 441 L C -2.132 174.636 176.870 -0.170 0.000 1.336 441 L CA -1.927 52.851 54.840 -0.104 0.000 0.815 441 L CB 0.791 42.805 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 -0.225 0.000 1.155 442 P CA 1.616 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 -2.452 117.818 120.400 -0.217 0.000 2.349 443 D HA 0.039 4.679 4.640 -0.001 0.000 0.224 443 D C 1.493 177.729 176.300 -0.107 0.000 1.029 443 D CA 0.657 54.571 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 -0.656 118.879 119.600 -0.108 0.000 2.231 444 M HA 0.172 4.651 4.480 -0.001 0.000 0.347 444 M C -0.908 175.345 176.300 -0.078 0.000 0.901 444 M CA 0.245 55.492 55.300 -0.090 0.000 1.064 444 M CB 1.013 33.558 32.600 -0.092 0.000 1.861 444 M HN -0.250 nan 8.290 nan 0.000 0.638 445 M N 1.213 120.767 119.600 -0.078 0.000 2.378 445 M HA 0.347 4.827 4.480 -0.001 0.000 0.289 445 M C -0.894 175.372 176.300 -0.057 0.000 1.136 445 M CA -0.511 54.751 55.300 -0.063 0.000 0.917 445 M CB 2.558 35.114 32.600 -0.073 0.000 1.669 445 M HN -0.018 nan 8.290 nan 0.000 0.461 446 Q N 1.930 121.708 119.800 -0.036 0.000 2.315 446 Q HA -0.009 4.331 4.340 -0.001 0.000 0.289 446 Q C -0.762 175.206 176.000 -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 6.627 127.007 120.400 -0.034 0.000 2.348 447 D HA 0.097 4.736 4.640 -0.001 0.000 0.259 447 D C -2.193 174.067 176.300 -0.067 0.000 1.296 447 D CA -1.149 52.828 54.000 -0.040 0.000 0.931 447 D CB 0.232 41.059 40.800 0.044 0.000 1.067 447 D HN 0.303 nan 8.370 nan 0.000 0.503 448 P HA -0.155 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 -0.117 62.848 63.100 -0.224 0.000 0.758 448 P CB 0.695 32.112 31.700 -0.470 0.000 0.773 449 V N 2.481 122.379 119.914 -0.027 0.000 2.445 449 V HA -0.434 3.686 4.120 -0.001 0.000 0.191 449 V C 2.190 178.352 176.094 0.114 0.000 0.905 449 V CA 3.100 65.424 62.300 0.040 0.000 1.297 449 V CB -2.428 29.420 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 4.503 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 0.016 62.222 62.100 0.177 0.000 1.051 450 T CB -0.480 68.458 68.868 0.118 0.000 0.959 450 T HN 0.165 nan 8.240 nan 0.000 0.525 451 F N 2.657 122.605 119.950 -0.003 0.000 2.529 451 F HA 0.429 4.955 4.527 -0.001 0.000 0.365 451 F C 1.054 176.863 175.800 0.015 0.000 1.102 451 F CA -1.417 56.587 58.000 0.007 0.000 1.271 451 F CB 0.358 39.363 39.000 0.009 0.000 1.120 451 F HN 0.050 nan 8.300 nan 0.000 0.579 452 R N 1.241 121.819 120.500 0.130 0.000 2.459 452 R HA 0.380 4.720 4.340 -0.001 0.000 0.281 452 R C -0.231 176.146 176.300 0.128 0.000 1.050 452 R CA -0.397 55.758 56.100 0.091 0.000 1.055 452 R CB 1.022 31.341 30.300 0.031 0.000 1.045 452 R HN 0.673 nan 8.270 nan 0.000 0.495 453 S N 1.604 117.367 115.700 0.105 0.000 2.513 453 S HA 0.329 4.799 4.470 -0.001 0.000 0.276 453 S C -0.510 174.158 174.600 0.113 0.000 1.254 453 S CA -0.097 58.170 58.200 0.111 0.000 1.053 453 S CB 1.048 64.293 63.200 0.075 0.000 0.958 453 S HN 0.670 nan 8.310 nan 0.000 0.491 454 T N 1.522 116.175 114.554 0.165 0.000 2.645 454 T HA 0.523 4.872 4.350 -0.001 0.000 0.300 454 T C 0.120 174.976 174.700 0.260 0.000 1.210 454 T CA 0.085 62.284 62.100 0.164 0.000 1.034 454 T CB 0.798 69.740 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 4.720 4.470 -0.001 0.000 0.247 455 S C 0.417 175.089 174.600 0.120 0.000 1.043 455 S CA -0.313 58.057 58.200 0.284 0.000 1.066 455 S CB -0.061 63.236 63.200 0.161 0.000 1.045 455 S HN 0.681 nan 8.310 nan 0.000 0.586 456 Q N 2.106 121.888 119.800 -0.030 0.000 2.402 456 Q HA 0.354 4.694 4.340 -0.001 0.000 0.238 456 Q C 0.773 176.438 176.000 -0.558 0.000 1.126 456 Q CA -0.249 55.444 55.803 -0.183 0.000 0.904 456 Q CB -0.030 28.645 28.738 -0.105 0.000 1.357 456 Q HN 0.462 nan 8.270 nan 0.000 0.491 457 I N 2.073 122.219 120.570 -0.707 0.000 2.227 457 I HA -0.403 3.767 4.170 -0.001 0.000 0.250 457 I C 1.627 177.297 176.117 -0.746 0.000 1.087 457 I CA 1.850 62.484 61.300 -1.111 0.000 1.352 457 I CB -0.322 37.437 38.000 -0.401 0.000 1.043 457 I HN 0.636 nan 8.210 nan 0.000 0.425 458 S N -0.750 114.728 115.700 -0.369 0.000 2.840 458 S HA 0.022 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 0.003 58.094 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 -0.595 117.987 118.700 -0.197 0.000 2.036 459 N HA 0.173 4.913 4.740 -0.001 0.000 0.224 459 N C -0.926 174.638 175.510 0.090 0.000 1.381 459 N CA -0.248 52.770 53.050 -0.053 0.000 0.746 459 N CB 0.267 38.720 38.487 -0.058 0.000 1.213 459 N HN 0.132 nan 8.380 nan 0.000 0.524 460 F N 2.132 122.138 119.950 0.094 0.000 2.640 460 F HA 0.185 4.711 4.527 -0.000 0.000 0.329 460 F C -1.624 174.305 175.800 0.215 0.000 1.224 460 F CA -1.018 57.054 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 -1.117 176.321 177.300 0.230 0.000 1.231 461 P CA -0.188 63.201 63.100 0.481 0.000 0.790 461 P CB 0.882 32.696 31.700 0.190 0.000 0.951 462 V N 2.619 122.510 119.914 -0.037 0.000 2.459 462 V HA 0.179 4.299 4.120 -0.001 0.000 0.295 462 V C 1.195 177.134 176.094 -0.258 0.000 1.029 462 V CA -0.206 62.054 62.300 -0.067 0.000 0.874 462 V CB 1.630 33.443 31.823 -0.018 0.000 0.985 462 V HN 0.475 nan 8.190 nan 0.000 0.438 463 V N 1.015 120.868 119.914 -0.102 0.000 3.635 463 V HA 0.701 4.820 4.120 -0.001 0.000 0.266 463 V C 0.645 176.678 176.094 -0.102 0.000 1.316 463 V CA 0.770 62.988 62.300 -0.137 0.000 1.060 463 V CB 0.382 32.133 31.823 -0.120 0.000 0.820 463 V HN 0.920 nan 8.190 nan 0.000 0.447 464 G N -0.417 108.365 108.800 -0.029 0.000 2.759 464 G HA2 0.761 4.721 3.960 -0.001 0.000 0.297 464 G HA3 0.761 4.721 3.960 -0.001 0.000 0.297 464 G C -1.182 173.897 174.900 0.298 0.000 1.434 464 G CA -0.071 45.039 45.100 0.017 0.000 0.980 464 G HN 0.774 nan 8.290 nan 0.000 0.531 465 A N 0.896 123.945 122.820 0.383 0.000 2.356 465 A HA 0.988 5.308 4.320 -0.001 0.000 0.323 465 A C -0.352 177.512 177.584 0.467 0.000 1.119 465 A CA -0.580 51.749 52.037 0.487 0.000 0.790 465 A CB 2.019 21.274 19.000 0.425 0.000 1.273 465 A HN 1.119 nan 8.150 nan 0.000 0.452 466 E N 1.271 121.714 120.200 0.405 0.000 2.388 466 E HA 0.378 4.727 4.350 -0.001 0.000 0.282 466 E C -1.991 174.740 176.600 0.218 0.000 1.026 466 E CA -0.791 55.809 56.400 0.333 0.000 0.820 466 E CB 0.980 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 3.067 124.395 121.223 0.175 0.000 2.455 467 L HA 0.148 4.488 4.340 -0.001 0.000 0.272 467 L C -0.191 176.754 176.870 0.126 0.000 1.174 467 L CA -0.120 54.798 54.840 0.130 0.000 0.869 467 L CB 0.676 42.809 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 0.214 4.554 4.340 -0.001 0.000 0.271 468 L C -1.767 175.154 176.870 0.084 0.000 1.157 468 L CA -1.446 53.434 54.840 0.067 0.000 0.928 468 L CB -0.348 41.735 42.059 0.039 0.000 1.216 468 L HN 0.497 nan 8.230 nan 0.000 0.481 469 P HA -0.114 nan 4.420 nan 0.000 0.091 469 P C -1.233 176.060 177.300 -0.012 0.000 0.876 469 P CA 0.639 63.768 63.100 0.048 0.000 0.944 469 P CB -0.477 31.254 31.700 0.051 0.000 1.605 470 V N 0.561 120.523 119.914 0.080 0.000 2.668 470 V HA 0.348 4.467 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 -0.725 61.620 62.300 0.075 0.000 0.894 470 V CB 1.887 33.733 31.823 0.038 0.000 1.008 470 V HN 0.294 nan 8.190 nan 0.000 0.425 471 H N 1.397 120.476 119.070 0.015 0.000 2.812 471 H HA 0.731 5.286 4.556 -0.001 0.000 0.355 471 H C -0.367 174.969 175.328 0.013 0.000 1.207 471 H CA -0.957 55.099 56.048 0.013 0.000 1.217 471 H CB 2.308 32.080 29.762 0.017 0.000 1.874 471 H HN 0.654 nan 8.280 nan 0.000 0.581 472 S N 1.585 117.370 115.700 0.141 0.000 2.566 472 S HA 0.289 4.759 4.470 -0.001 0.000 0.324 472 S C -0.438 174.201 174.600 0.065 0.000 1.081 472 S CA -1.077 57.175 58.200 0.086 0.000 1.105 472 S CB 1.238 64.465 63.200 0.044 0.000 0.981 472 S HN 0.345 nan 8.310 nan 0.000 0.464 473 K N 2.112 122.566 120.400 0.089 0.000 2.185 473 K HA 0.474 4.794 4.320 -0.001 0.000 0.271 473 K C -0.336 176.241 176.600 -0.039 0.000 1.013 473 K CA -0.194 56.082 56.287 -0.018 0.000 0.943 473 K CB 1.527 34.043 32.500 0.028 0.000 0.998 473 K HN 0.718 nan 8.250 nan 0.000 0.468 474 S N 2.388 117.914 115.700 -0.290 0.000 2.503 474 S HA 0.671 5.141 4.470 -0.001 0.000 0.301 474 S C -0.964 173.366 174.600 -0.449 0.000 1.087 474 S CA -0.671 57.434 58.200 -0.158 0.000 1.042 474 S CB 0.640 63.792 63.200 -0.080 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 0.422 4.948 4.527 -0.001 0.000 0.314 475 F C -0.570 175.293 175.800 0.104 0.000 1.069 475 F CA -1.196 56.840 58.000 0.060 0.000 0.931 475 F CB 0.854 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 2.120 122.520 120.300 0.167 0.000 2.359 476 Y HA 0.346 4.895 4.550 -0.001 0.000 0.334 476 Y C -0.245 175.703 175.900 0.079 0.000 1.058 476 Y CA -1.005 57.147 58.100 0.086 0.000 1.244 476 Y CB 0.410 38.900 38.460 0.050 0.000 1.187 476 Y HN 0.535 nan 8.280 nan 0.000 0.510 477 N N 5.358 123.757 118.700 -0.503 0.000 2.437 477 N HA 0.110 4.849 4.740 -0.001 0.000 0.243 477 N C 0.224 175.321 175.510 -0.688 0.000 1.041 477 N CA -0.012 52.758 53.050 -0.467 0.000 0.940 477 N CB 0.529 38.886 38.487 -0.217 0.000 1.133 477 N HN 0.684 nan 8.380 nan 0.000 0.506 478 D N 1.297 121.415 120.400 -0.469 0.000 2.183 478 D HA -0.134 4.506 4.640 -0.001 0.000 0.205 478 D C 1.056 177.290 176.300 -0.109 0.000 0.962 478 D CA 0.631 54.452 54.000 -0.298 0.000 0.849 478 D CB 0.249 40.954 40.800 -0.159 0.000 0.978 478 D HN 0.662 nan 8.370 nan 0.000 0.488 479 Q N 0.792 120.544 119.800 -0.079 0.000 2.576 479 Q HA -0.101 4.238 4.340 -0.001 0.000 0.218 479 Q C 1.565 177.649 176.000 0.140 0.000 0.983 479 Q CA 0.449 56.316 55.803 0.106 0.000 0.920 479 Q CB 0.090 28.839 28.738 0.017 0.000 0.973 479 Q HN 0.133 nan 8.270 nan 0.000 0.528 480 A N -0.026 122.793 122.820 -0.001 0.000 1.845 480 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 480 A C 1.976 179.563 177.584 0.005 0.000 1.195 480 A CA 1.711 53.735 52.037 -0.022 0.000 0.616 480 A CB -0.842 18.116 19.000 -0.070 0.000 0.832 480 A HN 0.383 nan 8.150 nan 0.000 0.443 481 V N -1.136 118.791 119.914 0.022 0.000 2.685 481 V HA -0.067 4.053 4.120 -0.001 0.000 0.244 481 V C 2.258 178.344 176.094 -0.013 0.000 1.054 481 V CA 1.581 63.886 62.300 0.008 0.000 1.076 481 V CB -0.727 31.110 31.823 0.025 0.000 0.725 481 V HN 0.712 nan 8.190 nan 0.000 0.467 482 Y N 2.444 122.735 120.300 -0.015 0.000 2.172 482 Y HA -0.347 4.202 4.550 -0.001 0.000 0.280 482 Y C 2.430 178.334 175.900 0.008 0.000 1.209 482 Y CA 2.578 60.674 58.100 -0.006 0.000 1.171 482 Y CB -1.036 37.412 38.460 -0.021 0.000 0.965 482 Y HN 0.450 nan 8.280 nan 0.000 0.520 483 S N -0.653 114.497 115.700 -0.916 0.000 2.489 483 S HA -0.162 4.307 4.470 -0.001 0.000 0.228 483 S C 1.847 176.230 174.600 -0.360 0.000 0.995 483 S CA 0.739 58.427 58.200 -0.854 0.000 0.934 483 S CB -0.455 62.482 63.200 -0.439 0.000 0.771 483 S HN 0.781 nan 8.310 nan 0.000 0.522 484 Q N 0.592 120.267 119.800 -0.209 0.000 2.472 484 Q HA 0.222 4.561 4.340 -0.001 0.000 0.208 484 Q C 0.558 176.534 176.000 -0.040 0.000 0.958 484 Q CA 0.501 56.250 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 0.741 121.930 121.223 -0.057 0.000 3.141 485 L HA 0.341 4.681 4.340 -0.001 0.000 0.263 485 L C 0.538 177.473 176.870 0.108 0.000 1.312 485 L CA -0.020 54.876 54.840 0.094 0.000 1.012 485 L CB 0.501 42.608 42.059 0.079 0.000 1.408 485 L HN 0.225 nan 8.230 nan 0.000 0.559 486 I N -0.770 119.832 120.570 0.054 0.000 5.285 486 I HA -0.040 4.130 4.170 -0.001 0.000 0.351 486 I C 1.867 178.024 176.117 0.065 0.000 1.206 486 I CA 0.236 61.567 61.300 0.053 0.000 1.527 486 I CB 0.618 38.550 38.000 -0.113 0.000 1.694 486 I HN 0.322 nan 8.210 nan 0.000 0.585 487 R N 1.135 121.635 120.500 0.000 0.000 2.362 487 R HA 0.144 4.484 4.340 -0.001 0.000 0.227 487 R C 1.545 177.833 176.300 -0.020 0.000 0.905 487 R CA 0.281 56.372 56.100 -0.015 0.000 1.067 487 R CB 0.023 30.295 30.300 -0.047 0.000 1.078 487 R HN 0.297 nan 8.270 nan 0.000 0.516 488 Q N 0.388 120.175 119.800 -0.022 0.000 2.402 488 Q HA 0.117 4.456 4.340 -0.001 0.000 0.206 488 Q C -0.628 175.153 176.000 -0.365 0.000 0.919 488 Q CA 0.379 56.081 55.803 -0.167 0.000 0.923 488 Q CB 0.403 29.038 28.738 -0.172 0.000 1.048 488 Q HN 0.312 nan 8.270 nan 0.000 0.515 489 F N 1.409 121.342 119.950 -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 0.964 39.954 39.000 -0.016 0.000 1.475 489 F HN -0.231 nan 8.300 nan 0.000 0.521 490 T N 1.923 116.511 114.554 0.057 0.000 2.828 490 T HA 0.213 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 0.747 62.870 62.100 0.037 0.000 1.136 490 T CB 0.074 68.949 68.868 0.013 0.000 1.057 490 T HN 0.705 nan 8.240 nan 0.000 0.499 491 S N 1.606 117.324 115.700 0.030 0.000 2.643 491 S HA 0.482 4.952 4.470 -0.001 0.000 0.266 491 S C -0.414 174.192 174.600 0.010 0.000 1.130 491 S CA -1.402 56.814 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 0.037 0.000 1.044 492 L HN 0.872 nan 8.230 nan 0.000 0.599 493 T N -1.901 112.658 114.554 0.008 0.000 2.906 493 T HA 0.407 4.757 4.350 -0.001 0.000 0.295 493 T C -0.689 174.071 174.700 0.099 0.000 1.075 493 T CA -0.752 61.343 62.100 -0.010 0.000 1.005 493 T CB 1.409 70.257 68.868 -0.032 0.000 1.136 493 T HN 0.434 nan 8.240 nan 0.000 0.498 494 H N -0.110 118.941 119.070 -0.031 0.000 2.508 494 H HA 0.307 4.862 4.556 -0.001 0.000 0.344 494 H C 1.494 176.709 175.328 -0.190 0.000 1.192 494 H CA -0.985 55.000 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 -0.750 119.002 119.914 -0.270 0.000 3.330 495 V HA -0.157 3.963 4.120 -0.001 0.000 0.273 495 V C 0.963 176.920 176.094 -0.228 0.000 1.179 495 V CA 1.426 63.538 62.300 -0.312 0.000 1.174 495 V CB -1.290 30.263 31.823 -0.449 0.000 0.794 495 V HN 0.613 nan 8.190 nan 0.000 0.527 496 F N -0.144 119.874 119.950 0.115 0.000 2.505 496 F HA 0.339 4.866 4.527 -0.001 0.000 0.289 496 F C 1.593 177.454 175.800 0.101 0.000 1.101 496 F CA 0.289 58.355 58.000 0.109 0.000 1.446 496 F CB 0.115 39.189 39.000 0.124 0.000 1.123 496 F HN 0.234 nan 8.300 nan 0.000 0.564 497 N N 0.742 119.579 118.700 0.228 0.000 3.025 497 N HA 0.142 4.882 4.740 -0.001 0.000 0.315 497 N C 0.504 176.015 175.510 0.003 0.000 1.511 497 N CA -0.059 53.075 53.050 0.140 0.000 1.097 497 N CB -0.072 38.467 38.487 0.086 0.000 1.395 497 N HN 0.045 nan 8.380 nan 0.000 0.511 498 R N -0.067 120.358 120.500 -0.125 0.000 2.346 498 R HA 0.053 4.392 4.340 -0.001 0.000 0.199 498 R C -0.328 175.342 176.300 -1.050 0.000 1.015 498 R CA 0.748 56.484 56.100 -0.607 0.000 1.058 498 R CB -0.006 29.781 30.300 -0.854 0.000 0.921 498 R HN 0.267 nan 8.270 nan 0.000 0.475 499 F N -1.892 118.092 119.950 0.056 0.000 2.505 499 F HA 0.295 4.821 4.527 -0.001 0.000 0.383 499 F C -1.943 173.897 175.800 0.067 0.000 1.509 499 F CA -2.048 55.987 58.000 0.058 0.000 1.101 499 F CB 1.127 40.156 39.000 0.049 0.000 1.367 499 F HN -0.185 nan 8.300 nan 0.000 0.523 500 P HA -0.252 nan 4.420 nan 0.000 0.219 500 P C 0.939 178.317 177.300 0.130 0.000 1.161 500 P CA 1.763 64.927 63.100 0.106 0.000 0.909 500 P CB 0.110 31.837 31.700 0.046 0.000 0.793 501 E N -0.813 119.468 120.200 0.134 0.000 2.392 501 E HA -0.001 4.349 4.350 -0.001 0.000 0.307 501 E C 0.289 177.013 176.600 0.208 0.000 1.505 501 E CA 0.094 56.578 56.400 0.141 0.000 1.716 501 E CB -1.380 28.383 29.700 0.105 0.000 1.450 501 E HN 0.304 nan 8.360 nan 0.000 0.484 502 N N 0.911 119.753 118.700 0.236 0.000 2.075 502 N HA -0.079 4.661 4.740 -0.001 0.000 0.226 502 N C 0.147 175.822 175.510 0.275 0.000 1.343 502 N CA 0.017 53.239 53.050 0.287 0.000 0.881 502 N CB 0.331 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 0.062 120.019 119.800 0.262 0.000 2.264 503 Q HA -0.201 4.138 4.340 -0.001 0.000 0.207 503 Q C 0.794 177.001 176.000 0.346 0.000 0.702 503 Q CA 1.558 57.561 55.803 0.333 0.000 1.411 503 Q CB -1.246 27.732 28.738 0.400 0.000 1.717 503 Q HN 0.615 nan 8.270 nan 0.000 0.683 504 I N -1.886 118.772 120.570 0.146 0.000 4.079 504 I HA -0.020 4.150 4.170 -0.001 0.000 0.276 504 I C 1.238 177.324 176.117 -0.052 0.000 1.146 504 I CA -0.081 61.215 61.300 -0.006 0.000 1.324 504 I CB 0.213 38.108 38.000 -0.174 0.000 1.638 504 I HN -0.041 nan 8.210 nan 0.000 0.436 505 L N 1.712 122.895 121.223 -0.066 0.000 2.645 505 L HA 0.226 4.566 4.340 -0.001 0.000 0.235 505 L C 1.549 178.479 176.870 0.100 0.000 1.150 505 L CA -0.150 54.612 54.840 -0.131 0.000 0.911 505 L CB -0.855 40.939 42.059 -0.441 0.000 1.077 505 L HN 0.189 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 0.849 178.534 177.584 0.167 0.000 1.633 506 A CA 0.421 52.567 52.037 0.182 0.000 1.015 506 A CB 0.035 19.135 19.000 0.166 0.000 1.454 506 A HN 0.395 nan 8.150 nan 0.000 0.665 507 R N -0.257 120.321 120.500 0.130 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 -1.917 54.247 56.100 0.106 0.000 0.865 507 R CB 1.216 31.578 30.300 0.104 0.000 1.174 507 R HN 0.353 nan 8.270 nan 0.000 0.455 508 P HA -0.008 nan 4.420 nan 0.000 0.263 508 P C -2.499 174.795 177.300 -0.010 0.000 1.168 508 P CA -0.509 62.605 63.100 0.023 0.000 0.759 508 P CB 0.139 31.851 31.700 0.019 0.000 0.782 509 P HA 0.088 nan 4.420 nan 0.000 0.268 509 P C -0.571 176.694 177.300 -0.059 0.000 1.204 509 P CA 0.133 63.208 63.100 -0.041 0.000 0.768 509 P CB 0.429 32.097 31.700 -0.054 0.000 0.842 510 A N 5.819 128.607 122.820 -0.053 0.000 2.451 510 A HA 0.359 4.679 4.320 -0.001 0.000 0.266 510 A C -1.875 175.663 177.584 -0.077 0.000 1.119 510 A CA -1.077 50.923 52.037 -0.061 0.000 0.786 510 A CB -0.823 18.154 19.000 -0.039 0.000 1.061 510 A HN 0.406 nan 8.150 nan 0.000 0.503 511 P HA 0.200 nan 4.420 nan 0.000 0.275 511 P C -0.031 177.227 177.300 -0.071 0.000 1.228 511 P CA -0.053 62.988 63.100 -0.098 0.000 0.786 511 P CB 0.670 32.311 31.700 -0.099 0.000 0.927 512 T N -0.174 114.345 114.554 -0.058 0.000 2.919 512 T HA 0.354 4.704 4.350 -0.001 0.000 0.302 512 T C 0.519 175.248 174.700 0.048 0.000 1.031 512 T CA -0.428 61.664 62.100 -0.012 0.000 1.127 512 T CB -0.373 68.560 68.868 0.109 0.000 0.952 512 T HN 0.323 nan 8.240 nan 0.000 0.540 513 I N 1.106 121.733 120.570 0.095 0.000 6.786 513 I HA -0.167 4.002 4.170 -0.001 0.000 0.126 513 I C 0.778 176.939 176.117 0.074 0.000 1.830 513 I CA 0.635 62.010 61.300 0.125 0.000 2.037 513 I CB -2.118 35.947 38.000 0.108 0.000 3.544 513 I HN 1.119 nan 8.210 nan 0.000 0.169 514 T N 1.047 115.659 114.554 0.098 0.000 2.934 514 T HA 0.919 5.268 4.350 -0.001 0.000 0.283 514 T C 0.365 175.155 174.700 0.150 0.000 1.005 514 T CA -0.158 61.985 62.100 0.073 0.000 1.041 514 T CB 1.994 70.880 68.868 0.031 0.000 1.042 514 T HN 0.635 nan 8.240 nan 0.000 0.505 515 T N -1.386 113.228 114.554 0.101 0.000 2.932 515 T HA 0.728 5.077 4.350 -0.001 0.000 0.289 515 T C -0.799 173.975 174.700 0.123 0.000 1.039 515 T CA -0.834 61.346 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 1.308 121.322 119.914 0.166 0.000 2.668 516 V HA 0.510 4.630 4.120 -0.001 0.000 0.304 516 V C 0.236 176.386 176.094 0.093 0.000 1.071 516 V CA -1.022 61.344 62.300 0.110 0.000 0.894 516 V CB 1.959 33.844 31.823 0.103 0.000 1.008 516 V HN 1.152 nan 8.190 nan 0.000 0.425 517 S N 3.739 119.461 115.700 0.037 0.000 2.525 517 S HA 0.202 4.671 4.470 -0.001 0.000 0.285 517 S C -0.277 174.336 174.600 0.021 0.000 1.283 517 S CA 0.179 58.390 58.200 0.019 0.000 1.072 517 S CB 0.153 63.335 63.200 -0.030 0.000 0.867 517 S HN 0.838 nan 8.310 nan 0.000 0.492 518 E N 4.087 124.310 120.200 0.038 0.000 2.256 518 E HA 0.268 4.617 4.350 -0.001 0.000 0.268 518 E C -0.942 175.650 176.600 -0.013 0.000 0.877 518 E CA -0.771 55.645 56.400 0.027 0.000 0.757 518 E CB 0.851 30.593 29.700 0.070 0.000 1.183 518 E HN 0.675 nan 8.360 nan 0.000 0.418 519 N N 2.260 120.943 118.700 -0.029 0.000 2.518 519 N HA 0.346 5.086 4.740 -0.001 0.000 0.283 519 N C -1.415 174.094 175.510 -0.001 0.000 1.119 519 N CA -0.065 52.955 53.050 -0.052 0.000 0.983 519 N CB 1.881 40.312 38.487 -0.093 0.000 1.139 519 N HN 0.247 nan 8.380 nan 0.000 0.465 520 V N 3.858 123.766 119.914 -0.009 0.000 2.932 520 V HA 0.460 4.579 4.120 -0.001 0.000 0.307 520 V C -2.434 173.768 176.094 0.180 0.000 1.147 520 V CA -1.877 60.452 62.300 0.049 0.000 0.951 520 V CB 2.668 34.394 31.823 -0.162 0.000 1.031 520 V HN 0.550 nan 8.190 nan 0.000 0.426 521 P HA 0.303 nan 4.420 nan 0.000 0.271 521 P C -1.015 176.339 177.300 0.091 0.000 1.216 521 P CA -0.111 63.081 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 5.109 128.007 122.820 0.129 0.000 2.328 522 A HA 0.398 4.718 4.320 -0.001 0.000 0.318 522 A C 0.216 177.865 177.584 0.108 0.000 1.347 522 A CA -0.748 51.356 52.037 0.113 0.000 0.842 522 A CB -0.026 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 3.315 124.576 121.223 0.063 0.000 2.395 523 L HA 0.170 4.510 4.340 -0.001 0.000 0.268 523 L C 1.074 177.952 176.870 0.014 0.000 1.223 523 L CA -0.089 54.774 54.840 0.038 0.000 1.093 523 L CB -0.034 42.036 42.059 0.018 0.000 1.349 523 L HN 0.772 nan 8.230 nan 0.000 0.427 524 T N 0.534 115.093 114.554 0.008 0.000 0.000 524 T HA 0.209 4.558 4.350 -0.001 0.000 0.000 524 T C -0.599 173.973 174.700 -0.212 0.000 0.000 524 T CA -0.393 61.656 62.100 -0.084 0.000 0.000 524 T CB 1.246 70.070 68.868 -0.072 0.000 0.000 524 T HN 0.549 nan 8.240 nan 0.000 0.000 525 D N 0.612 120.790 120.400 -0.370 0.000 2.452 525 D HA 0.155 4.795 4.640 -0.001 0.000 0.226 525 D C -0.888 175.144 176.300 -0.448 0.000 1.366 525 D CA -0.425 53.362 54.000 -0.355 0.000 0.986 525 D CB 0.483 41.188 40.800 -0.159 0.000 1.420 525 D HN 0.619 nan 8.370 nan 0.000 0.583 526 H N 1.212 120.228 119.070 -0.091 0.000 2.544 526 H HA 0.432 4.988 4.556 -0.001 0.000 0.365 526 H C 1.322 176.612 175.328 -0.063 0.000 1.268 526 H CA -0.076 55.929 56.048 -0.072 0.000 1.400 526 H CB 0.759 30.447 29.762 -0.123 0.000 1.538 526 H HN 0.476 nan 8.280 nan 0.000 0.597 527 G N -0.354 108.484 108.800 0.062 0.000 2.394 527 G HA2 0.019 3.979 3.960 -0.001 0.000 0.256 527 G HA3 0.019 3.979 3.960 -0.001 0.000 0.256 527 G C -0.106 174.797 174.900 0.006 0.000 1.504 527 G CA 0.206 45.316 45.100 0.016 0.000 1.051 527 G HN 0.584 nan 8.290 nan 0.000 0.550 528 T N -0.331 114.222 114.554 -0.003 0.000 2.786 528 T HA 0.604 4.953 4.350 -0.001 0.000 0.283 528 T C -0.320 174.374 174.700 -0.010 0.000 0.992 528 T CA -0.721 61.375 62.100 -0.006 0.000 0.954 528 T CB 0.299 69.165 68.868 -0.003 0.000 0.934 528 T HN 0.329 nan 8.240 nan 0.000 0.440 529 L N 5.510 126.724 121.223 -0.014 0.000 2.322 529 L HA 0.635 4.975 4.340 -0.001 0.000 0.269 529 L C -2.366 174.503 176.870 -0.003 0.000 1.012 529 L CA -2.931 51.896 54.840 -0.023 0.000 0.815 529 L CB 2.124 44.156 42.059 -0.046 0.000 1.295 529 L HN 0.452 nan 8.230 nan 0.000 0.438 530 P HA 0.360 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 -0.363 62.752 63.100 0.025 0.000 0.784 530 P CB 0.980 32.682 31.700 0.004 0.000 0.913 531 L N 0.500 121.761 121.223 0.063 0.000 2.327 531 L HA 0.689 5.029 4.340 -0.001 0.000 0.258 531 L C 0.041 176.938 176.870 0.047 0.000 1.024 531 L CA -1.277 53.580 54.840 0.029 0.000 0.825 531 L CB 0.848 42.906 42.059 -0.002 0.000 1.386 531 L HN 0.149 nan 8.230 nan 0.000 0.417 532 R N 0.325 120.826 120.500 0.003 0.000 2.738 532 R HA 0.235 4.575 4.340 -0.001 0.000 0.268 532 R C -0.394 175.888 176.300 -0.030 0.000 1.062 532 R CA -0.221 55.879 56.100 0.000 0.000 1.158 532 R CB 0.011 30.296 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 -0.173 52.820 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 0.441 nan 8.380 nan 0.000 0.489 534 S N 0.093 115.738 115.700 -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 -0.025 63.139 63.200 -0.060 0.000 1.163 534 S HN 0.087 nan 8.310 nan 0.000 0.449 535 I N 2.741 123.253 120.570 -0.096 0.000 2.436 535 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 535 I C 1.283 177.363 176.117 -0.062 0.000 1.083 535 I CA -0.252 60.998 61.300 -0.084 0.000 1.372 535 I CB 0.410 38.348 38.000 -0.104 0.000 1.408 535 I HN 0.734 nan 8.210 nan 0.000 0.516 536 G N 4.091 112.858 108.800 -0.055 0.000 2.491 536 G HA2 0.181 4.140 3.960 -0.001 0.000 0.238 536 G HA3 0.181 4.140 3.960 -0.001 0.000 0.238 536 G C 1.124 176.006 174.900 -0.030 0.000 1.277 536 G CA -0.052 45.022 45.100 -0.043 0.000 0.851 536 G HN 0.905 nan 8.290 nan 0.000 0.573 537 G N -0.079 108.709 108.800 -0.019 0.000 2.475 537 G HA2 0.037 3.997 3.960 -0.001 0.000 0.220 537 G HA3 0.037 3.997 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 46.613 45.100 -0.002 0.000 0.755 537 G HN 1.457 nan 8.290 nan 0.000 0.565 538 V N -2.362 117.546 119.914 -0.009 0.000 2.407 538 V HA 0.623 4.743 4.120 -0.001 0.000 0.291 538 V C -1.029 175.047 176.094 -0.031 0.000 1.018 538 V CA -1.368 60.928 62.300 -0.006 0.000 0.842 538 V CB 1.671 33.497 31.823 0.006 0.000 0.996 538 V HN 0.001 nan 8.190 nan 0.000 0.426 539 Q N 3.097 122.871 119.800 -0.043 0.000 2.205 539 Q HA 0.585 4.925 4.340 -0.001 0.000 0.249 539 Q C -0.510 175.420 176.000 -0.117 0.000 0.948 539 Q CA -0.504 55.250 55.803 -0.081 0.000 0.895 539 Q CB 2.609 31.299 28.738 -0.081 0.000 1.249 539 Q HN 0.936 nan 8.270 nan 0.000 0.458 540 R N 0.286 120.690 120.500 -0.160 0.000 2.437 540 R HA 0.567 4.907 4.340 -0.001 0.000 0.310 540 R C -1.315 174.829 176.300 -0.259 0.000 0.955 540 R CA -0.383 55.595 56.100 -0.203 0.000 0.851 540 R CB 1.045 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 3.193 122.846 119.914 -0.435 0.000 2.612 541 V HA 0.575 4.694 4.120 -0.001 0.000 0.301 541 V C -0.312 175.669 176.094 -0.188 0.000 1.046 541 V CA -0.453 61.626 62.300 -0.369 0.000 0.946 541 V CB 2.069 33.460 31.823 -0.721 0.000 1.003 541 V HN 0.880 nan 8.190 nan 0.000 0.459 542 T N 4.920 119.493 114.554 0.032 0.000 3.483 542 T HA 0.486 4.836 4.350 -0.001 0.000 0.329 542 T C -0.777 173.968 174.700 0.074 0.000 1.014 542 T CA -0.208 61.962 62.100 0.118 0.000 1.056 542 T CB 0.723 69.753 68.868 0.271 0.000 1.090 542 T HN 0.385 nan 8.240 nan 0.000 0.460 543 I N 3.282 123.833 120.570 -0.032 0.000 2.359 543 I HA 0.522 4.691 4.170 -0.001 0.000 0.294 543 I C 0.334 176.420 176.117 -0.051 0.000 0.987 543 I CA -0.463 60.715 61.300 -0.203 0.000 1.225 543 I CB 1.802 39.558 38.000 -0.407 0.000 1.366 543 I HN 0.512 nan 8.210 nan 0.000 0.466 544 T N 3.495 118.038 114.554 -0.020 0.000 2.916 544 T HA 0.336 4.686 4.350 -0.001 0.000 0.292 544 T C -0.747 173.920 174.700 -0.055 0.000 1.064 544 T CA -0.780 61.342 62.100 0.037 0.000 1.011 544 T CB 2.117 71.069 68.868 0.141 0.000 1.152 544 T HN 0.659 nan 8.240 nan 0.000 0.510 545 D N 0.029 120.407 120.400 -0.036 0.000 2.442 545 D HA 0.495 5.134 4.640 -0.001 0.000 0.254 545 D C 1.479 177.654 176.300 -0.209 0.000 1.069 545 D CA -0.592 53.335 54.000 -0.121 0.000 1.017 545 D CB 1.184 42.002 40.800 0.030 0.000 1.172 545 D HN 0.509 nan 8.370 nan 0.000 0.561 546 A N 0.754 123.429 122.820 -0.242 0.000 1.940 546 A HA -0.268 4.052 4.320 -0.001 0.000 0.221 546 A C 2.146 179.724 177.584 -0.009 0.000 1.190 546 A CA 1.643 53.581 52.037 -0.165 0.000 0.647 546 A CB -0.650 18.305 19.000 -0.076 0.000 0.821 546 A HN 0.636 nan 8.150 nan 0.000 0.457 547 R N -2.137 118.358 120.500 -0.008 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 0.184 56.292 56.100 0.014 0.000 1.016 547 R CB 0.146 30.441 30.300 -0.008 0.000 0.918 547 R HN 0.356 nan 8.270 nan 0.000 0.473 548 R N 0.791 121.319 120.500 0.046 0.000 2.534 548 R HA -0.115 4.225 4.340 -0.001 0.000 0.330 548 R C -1.017 175.310 176.300 0.045 0.000 1.000 548 R CA 0.591 56.733 56.100 0.070 0.000 0.702 548 R CB -1.648 28.699 30.300 0.077 0.000 2.044 548 R HN 0.575 nan 8.270 nan 0.000 0.463 549 R N -2.186 118.352 120.500 0.064 0.000 2.687 549 R HA 0.369 4.709 4.340 -0.001 0.000 0.265 549 R C -0.154 176.223 176.300 0.129 0.000 1.048 549 R CA -0.589 55.560 56.100 0.082 0.000 0.884 549 R CB 0.547 30.898 30.300 0.084 0.000 1.258 549 R HN 0.247 nan 8.270 nan 0.000 0.469 550 T N -1.655 112.969 114.554 0.116 0.000 2.724 550 T HA 0.117 4.467 4.350 -0.001 0.000 0.324 550 T C 0.173 174.962 174.700 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 0.060 0.000 0.990 550 T HN 0.692 nan 8.240 nan 0.000 0.543 551 C N 4.513 123.837 119.300 0.041 0.000 2.437 551 C HA 0.540 5.000 4.460 -0.001 0.000 0.307 551 C C -1.410 173.440 174.990 -0.234 0.000 1.093 551 C CA -1.739 57.246 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 0.224 177.194 177.300 -0.550 0.000 1.152 552 P CA 1.735 64.489 63.100 -0.576 0.000 0.857 552 P CB -0.107 31.059 31.700 -0.889 0.000 0.787 553 Y N -1.555 118.573 120.300 -0.286 0.000 2.550 553 Y HA 0.135 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 57.577 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 0.361 176.534 176.094 0.132 0.000 1.021 554 V CA -0.783 61.543 62.300 0.043 0.000 0.847 554 V CB 0.722 32.554 31.823 0.015 0.000 0.990 554 V HN 0.344 nan 8.190 nan 0.000 0.444 555 Y N 5.114 125.404 120.300 -0.015 0.000 2.347 555 Y HA 0.343 4.893 4.550 -0.000 0.000 0.294 555 Y C 0.880 176.663 175.900 -0.194 0.000 1.117 555 Y CA 0.600 58.716 58.100 0.028 0.000 1.184 555 Y CB 0.388 38.856 38.460 0.013 0.000 1.047 555 Y HN 0.509 nan 8.280 nan 0.000 0.546 556 K N 0.477 120.646 120.400 -0.386 0.000 2.550 556 K HA 0.664 4.983 4.320 -0.001 0.000 0.252 556 K C -1.918 174.570 176.600 -0.187 0.000 0.943 556 K CA -0.481 55.469 56.287 -0.563 0.000 0.806 556 K CB 1.621 33.735 32.500 -0.642 0.000 1.289 556 K HN 0.062 nan 8.250 nan 0.000 0.435 557 A N 4.563 127.286 122.820 -0.161 0.000 2.355 557 A HA 0.800 5.120 4.320 -0.001 0.000 0.317 557 A C -1.515 176.198 177.584 0.214 0.000 1.094 557 A CA -0.714 51.434 52.037 0.185 0.000 0.764 557 A CB 0.906 20.098 19.000 0.319 0.000 1.230 557 A HN 0.628 nan 8.150 nan 0.000 0.448 558 L N 2.007 123.405 121.223 0.292 0.000 2.464 558 L HA 0.676 5.016 4.340 -0.001 0.000 0.266 558 L C 0.037 176.990 176.870 0.139 0.000 0.965 558 L CA -0.519 54.432 54.840 0.186 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 4.182 113.052 108.800 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 -1.222 173.692 174.900 0.024 0.000 1.322 559 G CA -0.350 44.752 45.100 0.003 0.000 0.969 559 G HN 0.413 nan 8.290 nan 0.000 0.490 560 I N 1.857 122.407 120.570 -0.033 0.000 2.436 560 I HA 0.372 4.542 4.170 -0.001 0.000 0.289 560 I C -0.605 175.433 176.117 -0.131 0.000 1.010 560 I CA -0.977 60.280 61.300 -0.072 0.000 1.098 560 I CB 2.296 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 4.516 124.316 119.914 -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 -0.498 61.710 62.300 -0.154 0.000 0.887 561 V CB 2.090 33.832 31.823 -0.135 0.000 0.991 561 V HN 0.784 nan 8.190 nan 0.000 0.434 562 S N 5.774 121.411 115.700 -0.106 0.000 2.406 562 S HA 0.389 4.858 4.470 -0.001 0.000 0.224 562 S C -2.561 172.031 174.600 -0.013 0.000 1.426 562 S CA -1.105 57.050 58.200 -0.076 0.000 1.179 562 S CB 0.877 64.046 63.200 -0.052 0.000 1.042 562 S HN 0.649 nan 8.310 nan 0.000 0.479 563 P HA 0.274 nan 4.420 nan 0.000 0.272 563 P C -0.579 176.881 177.300 0.266 0.000 1.223 563 P CA -0.339 62.822 63.100 0.102 0.000 0.784 563 P CB 0.581 32.259 31.700 -0.036 0.000 0.923 564 R N 0.160 120.918 120.500 0.430 0.000 2.604 564 R HA 0.445 4.785 4.340 -0.001 0.000 0.261 564 R C -1.230 175.103 176.300 0.054 0.000 1.080 564 R CA -1.092 55.201 56.100 0.321 0.000 0.917 564 R CB 0.600 30.972 30.300 0.121 0.000 1.252 564 R HN 0.212 nan 8.270 nan 0.000 0.456 565 V N 4.151 123.771 119.914 -0.490 0.000 2.788 565 V HA 0.048 4.167 4.120 -0.001 0.000 0.307 565 V C 0.261 176.145 176.094 -0.350 0.000 1.069 565 V CA 0.520 62.324 62.300 -0.826 0.000 1.173 565 V CB 0.506 31.800 31.823 -0.882 0.000 0.925 565 V HN 0.856 nan 8.190 nan 0.000 0.492 566 L N 4.730 125.779 121.223 -0.291 0.000 2.624 566 L HA 0.349 4.688 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 0.690 42.714 42.059 -0.058 0.000 1.190 566 L HN 0.920 nan 8.230 nan 0.000 0.487 567 S N -2.471 113.172 115.700 -0.094 0.000 2.755 567 S HA 0.529 4.999 4.470 -0.001 0.000 0.286 567 S C -0.919 173.661 174.600 -0.033 0.000 1.207 567 S CA -0.719 57.462 58.200 -0.030 0.000 0.892 567 S CB 1.779 65.001 63.200 0.037 0.000 1.240 567 S HN -0.112 nan 8.310 nan 0.000 0.525 568 S N -0.383 115.330 115.700 0.022 0.000 2.542 568 S HA 0.580 5.050 4.470 -0.001 0.000 0.293 568 S C 0.068 174.662 174.600 -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 0.650 nan 8.310 nan 0.000 0.483 569 R N 0.889 121.318 120.500 -0.118 0.000 2.362 569 R HA 0.371 4.711 4.340 -0.001 0.000 0.227 569 R C 0.687 176.960 176.300 -0.045 0.000 0.905 569 R CA 0.577 56.609 56.100 -0.114 0.000 1.067 569 R CB 0.253 30.401 30.300 -0.254 0.000 1.078 569 R HN 0.867 nan 8.270 nan 0.000 0.516 570 T N 0.000 114.532 114.554 -0.037 0.000 3.816 570 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 570 T CA 0.000 nan 62.100 nan 0.000 1.349 570 T CB 0.000 nan 68.868 nan 0.000 0.612 570 T HN 0.000 nan 8.240 nan 0.000 0.658