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 3dy5_1_C DATA FIRST_RESID 3 DATA SEQUENCE WKNFGFEIFG EKYGQEELEK RIKDEHTPPP DSPVFGGLKL KLKKEKFKTL DATA SEQUENCE FTLGTTLKGF RRATHTVGTG GIGEITIVND PKFPEHEFFT AGRTFPARLR DATA SEQUENCE HANLKYPDDA GADARSFSIK FADSDSDGPL DIVMNTGEAN IFWNSPSLED DATA SEQUENCE FVPVEEGDAA EEYVYKNPYY YYNLVEALRR APDTFAHLYY YSQVTMPFKA DATA SEQUENCE KDGKVRYCRY RALPGDVDIK EEDESGRLTE EEQRKIWIFS RHENEKRPDD DATA SEQUENCE YLRKEYVERL QKGPVNYRLQ IQIHEASPDD TATIFHAGIL WDKETHPWFD DATA SEQUENCE LAKVSIKTPL SPDVLEKTAF NIANQPASLG LLEAKSPEDY NSIGELRVAV DATA SEQUENCE YTWVQHLRKL KIGSLXXXXX NAIYNVEVET GDREHAGTDA TITIRITGAK DATA SEQUENCE GRTDYLKLXX XXXXXFEAGS KEQYTVQGFD VGDIQLIELH SDGGGXXSGD DATA SEQUENCE PDWFVNRVII ISSTQDRVYS FPCFRWVIKD MVLFPGEATL PFNEVPAIVS DATA SEQUENCE EQRQKELEQR KLTYQWDYVS DDMPGNIKAK THDDLPRDVQ FTDEKSRSYQ DATA SEQUENCE ESRKAALVNL GIGSLXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXWHED DATA SEQUENCE RWFGYQFLNG ANPVILTRCD ALPSNFPVTN EHVNASLDRG KNLDEEIKDG DATA SEQUENCE HIYIVDFKVL VGAKSYGGPV LEDIGXXXXX XXXXXEADIR YCAAPLALFY DATA SEQUENCE VNKLGHLMPI AIQINQEPGP ENPIWTPHEE NEHDWMMAKF WLGVAESNFH DATA SEQUENCE QLNTHLLRTH LTTESFALST WRNLASAHPI FKLLQPHIYG VLAIDTIGRK DATA SEQUENCE ELIGSGGIVD QSLSLGGGGH VTFMEKCFKE VNLQDYHLPN ALKKRGVDDP DATA SEQUENCE SKLPGFYYRD DGLALWEAIE TFIGEIIAIF YKNDDDVKRD NEIQSWIYDV DATA SEQUENCE HKNGWRVNPG HQDHGVPASF ESREQLKEVL TSLVFTFSCQ HAAVNFSQKX DATA SEQUENCE XXXXXXNAPA ILRHPPPKKK GEATLQSILS TLPSKSQAAK AIATVYILTK DATA SEQUENCE FSEDERYLGN YSATAWEDKD ALDAINRFQD KLEDISKKIK QRNENLEVPY DATA SEQUENCE IYLLPERIPN GTAI 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 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.570 176.519 0.085 0.000 1.175 3 W CA 0.000 57.380 57.345 0.057 0.000 1.226 3 W CB 0.000 29.477 29.460 0.028 0.000 1.126 4 K N 2.792 122.986 120.400 -0.343 0.000 2.211 4 K HA 0.350 4.671 4.320 0.001 0.000 0.237 4 K C -0.503 175.654 176.600 -0.738 0.000 1.002 4 K CA -0.838 55.281 56.287 -0.279 0.000 0.885 4 K CB 1.637 34.101 32.500 -0.059 0.000 1.136 4 K HN 0.405 nan 8.250 nan 0.000 0.448 5 N N 2.073 120.597 118.700 -0.293 0.000 3.322 5 N HA 0.095 4.836 4.740 0.001 0.000 0.290 5 N C -0.832 174.640 175.510 -0.063 0.000 1.297 5 N CA -0.132 52.842 53.050 -0.126 0.000 1.167 5 N CB -0.495 38.190 38.487 0.329 0.000 1.434 5 N HN 0.341 nan 8.380 nan 0.000 0.526 6 F N 0.564 120.377 119.950 -0.230 0.000 2.626 6 F HA 0.133 4.661 4.527 0.001 0.000 0.368 6 F C 1.661 177.408 175.800 -0.089 0.000 1.227 6 F CA 0.255 58.167 58.000 -0.147 0.000 1.302 6 F CB 0.023 38.913 39.000 -0.183 0.000 1.733 6 F HN 0.430 nan 8.300 nan 0.000 0.672 7 G N -0.074 108.741 108.800 0.025 0.000 3.083 7 G HA2 -0.136 3.824 3.960 0.001 0.000 0.210 7 G HA3 -0.136 3.824 3.960 0.001 0.000 0.210 7 G C 1.056 175.866 174.900 -0.151 0.000 1.571 7 G CA -0.114 44.929 45.100 -0.095 0.000 0.727 7 G HN 0.370 nan 8.290 nan 0.000 0.988 8 F N 1.839 121.702 119.950 -0.144 0.000 2.065 8 F HA -0.050 4.477 4.527 0.001 0.000 0.298 8 F C 2.558 178.215 175.800 -0.239 0.000 1.112 8 F CA 2.469 60.295 58.000 -0.290 0.000 1.212 8 F CB 0.239 38.859 39.000 -0.634 0.000 0.975 8 F HN 0.243 nan 8.300 nan 0.000 0.476 9 E N 0.363 120.492 120.200 -0.119 0.000 2.130 9 E HA -0.256 4.094 4.350 0.001 0.000 0.196 9 E C 2.106 178.628 176.600 -0.130 0.000 0.998 9 E CA 1.685 57.983 56.400 -0.170 0.000 0.806 9 E CB -0.278 29.266 29.700 -0.260 0.000 0.738 9 E HN 0.525 nan 8.360 nan 0.000 0.459 10 I N 0.363 120.841 120.570 -0.154 0.000 2.700 10 I HA -0.211 3.959 4.170 0.001 0.000 0.261 10 I C 1.936 178.064 176.117 0.019 0.000 1.219 10 I CA 0.382 61.617 61.300 -0.108 0.000 1.463 10 I CB -0.241 37.577 38.000 -0.302 0.000 1.092 10 I HN 0.139 nan 8.210 nan 0.000 0.452 11 F N 1.839 121.658 119.950 -0.218 0.000 2.098 11 F HA -0.007 4.520 4.527 0.001 0.000 0.294 11 F C 2.458 178.234 175.800 -0.041 0.000 1.107 11 F CA 1.602 59.528 58.000 -0.123 0.000 1.234 11 F CB -0.738 38.062 39.000 -0.332 0.000 1.002 11 F HN -0.009 nan 8.300 nan 0.000 0.472 12 G N -0.628 108.153 108.800 -0.031 0.000 2.462 12 G HA2 -0.253 3.707 3.960 0.001 0.000 0.220 12 G HA3 -0.253 3.707 3.960 0.001 0.000 0.220 12 G C 1.223 176.092 174.900 -0.052 0.000 1.121 12 G CA 0.537 45.599 45.100 -0.063 0.000 0.758 12 G HN 0.433 nan 8.290 nan 0.000 0.559 13 E N -0.366 119.820 120.200 -0.023 0.000 2.322 13 E HA 0.166 4.517 4.350 0.001 0.000 0.195 13 E C 1.197 177.805 176.600 0.013 0.000 1.198 13 E CA 0.096 56.498 56.400 0.004 0.000 1.132 13 E CB 0.051 29.772 29.700 0.035 0.000 1.213 13 E HN 0.460 nan 8.360 nan 0.000 0.450 14 K N -1.569 118.820 120.400 -0.019 0.000 2.353 14 K HA 0.029 4.350 4.320 0.001 0.000 0.168 14 K C 0.095 176.572 176.600 -0.206 0.000 1.921 14 K CA 0.087 56.323 56.287 -0.085 0.000 1.081 14 K CB 0.522 32.982 32.500 -0.067 0.000 1.821 14 K HN 0.001 nan 8.250 nan 0.000 0.527 15 Y N -0.111 119.968 120.300 -0.368 0.000 2.476 15 Y HA 0.380 4.931 4.550 0.001 0.000 0.261 15 Y C 0.343 176.105 175.900 -0.231 0.000 1.077 15 Y CA 0.288 58.165 58.100 -0.371 0.000 1.240 15 Y CB 2.151 40.202 38.460 -0.682 0.000 1.317 15 Y HN 0.148 nan 8.280 nan 0.000 0.540 16 G N 1.065 109.836 108.800 -0.048 0.000 2.721 16 G HA2 -0.251 3.709 3.960 0.001 0.000 0.686 16 G HA3 -0.251 3.709 3.960 0.001 0.000 0.686 16 G C 0.127 175.014 174.900 -0.022 0.000 1.236 16 G CA -0.031 45.046 45.100 -0.039 0.000 0.786 16 G HN 0.112 nan 8.290 nan 0.000 0.616 17 Q N 0.316 120.097 119.800 -0.030 0.000 2.197 17 Q HA -0.104 4.237 4.340 0.001 0.000 0.207 17 Q C 2.262 178.251 176.000 -0.018 0.000 0.984 17 Q CA 2.781 58.565 55.803 -0.032 0.000 0.869 17 Q CB -0.162 28.554 28.738 -0.038 0.000 0.906 17 Q HN 0.793 nan 8.270 nan 0.000 0.426 18 E N -0.538 119.657 120.200 -0.009 0.000 2.204 18 E HA -0.196 4.154 4.350 0.001 0.000 0.195 18 E C 1.466 178.079 176.600 0.021 0.000 0.990 18 E CA 1.327 57.728 56.400 0.001 0.000 0.821 18 E CB 0.020 29.720 29.700 0.000 0.000 0.750 18 E HN 0.430 nan 8.360 nan 0.000 0.477 19 E N -0.738 119.489 120.200 0.044 0.000 2.079 19 E HA -0.034 4.316 4.350 0.001 0.000 0.191 19 E C 1.772 178.448 176.600 0.128 0.000 0.961 19 E CA 0.495 56.956 56.400 0.102 0.000 0.823 19 E CB -0.376 29.411 29.700 0.145 0.000 0.789 19 E HN 0.246 nan 8.360 nan 0.000 0.459 20 L N 1.571 122.871 121.223 0.129 0.000 2.089 20 L HA -0.194 4.146 4.340 0.001 0.000 0.213 20 L C 1.691 178.496 176.870 -0.109 0.000 1.079 20 L CA 2.067 56.928 54.840 0.035 0.000 0.758 20 L CB -0.469 41.557 42.059 -0.056 0.000 0.891 20 L HN 0.220 nan 8.230 nan 0.000 0.433 21 E N -1.070 119.097 120.200 -0.055 0.000 2.347 21 E HA -0.191 4.159 4.350 0.001 0.000 0.196 21 E C 1.933 178.517 176.600 -0.027 0.000 1.008 21 E CA 0.625 56.996 56.400 -0.048 0.000 0.852 21 E CB 0.016 29.695 29.700 -0.034 0.000 0.783 21 E HN 0.473 nan 8.360 nan 0.000 0.505 22 K N 0.429 120.829 120.400 -0.000 0.000 2.284 22 K HA 0.023 4.343 4.320 0.001 0.000 0.198 22 K C 1.652 178.265 176.600 0.023 0.000 1.048 22 K CA 0.145 56.443 56.287 0.019 0.000 0.987 22 K CB 0.419 32.944 32.500 0.041 0.000 0.800 22 K HN -0.117 nan 8.250 nan 0.000 0.486 23 R N 0.793 121.293 120.500 -0.000 0.000 2.299 23 R HA 0.066 4.406 4.340 0.001 0.000 0.197 23 R C 1.827 178.113 176.300 -0.024 0.000 0.971 23 R CA 0.189 56.270 56.100 -0.032 0.000 1.030 23 R CB -0.079 30.145 30.300 -0.128 0.000 0.932 23 R HN 0.216 nan 8.270 nan 0.000 0.477 24 I N 0.877 121.436 120.570 -0.019 0.000 2.185 24 I HA -0.181 3.989 4.170 0.001 0.000 0.235 24 I C 2.288 178.482 176.117 0.129 0.000 1.069 24 I CA 1.039 62.395 61.300 0.092 0.000 1.354 24 I CB -1.131 36.873 38.000 0.007 0.000 1.093 24 I HN 0.059 nan 8.210 nan 0.000 0.411 25 K N 0.580 120.990 120.400 0.017 0.000 2.228 25 K HA -0.271 4.049 4.320 0.001 0.000 0.205 25 K C 1.592 178.246 176.600 0.090 0.000 1.045 25 K CA 1.902 58.204 56.287 0.025 0.000 0.931 25 K CB -0.036 32.462 32.500 -0.003 0.000 0.727 25 K HN 0.221 nan 8.250 nan 0.000 0.458 26 D N 0.560 121.013 120.400 0.088 0.000 2.097 26 D HA -0.122 4.519 4.640 0.001 0.000 0.197 26 D C 1.630 177.992 176.300 0.103 0.000 0.984 26 D CA 1.028 55.084 54.000 0.093 0.000 0.826 26 D CB 0.056 40.906 40.800 0.084 0.000 0.973 26 D HN 0.194 nan 8.370 nan 0.000 0.460 27 E N -0.257 119.996 120.200 0.088 0.000 2.418 27 E HA -0.071 4.280 4.350 0.001 0.000 0.197 27 E C 1.086 177.603 176.600 -0.138 0.000 1.026 27 E CA 0.502 56.861 56.400 -0.068 0.000 0.862 27 E CB -0.135 29.359 29.700 -0.342 0.000 0.799 27 E HN 0.598 nan 8.360 nan 0.000 0.518 28 H N 0.382 119.406 119.070 -0.077 0.000 2.524 28 H HA 0.103 4.659 4.556 0.001 0.000 0.280 28 H C 0.225 175.544 175.328 -0.015 0.000 1.018 28 H CA 0.401 56.405 56.048 -0.072 0.000 1.165 28 H CB 0.502 30.223 29.762 -0.069 0.000 1.411 28 H HN 0.031 nan 8.280 nan 0.000 0.569 29 T N -0.509 114.108 114.554 0.104 0.000 2.863 29 T HA 0.330 4.681 4.350 0.001 0.000 0.285 29 T C -2.899 171.843 174.700 0.070 0.000 1.009 29 T CA -2.256 59.888 62.100 0.072 0.000 0.989 29 T CB 2.740 71.645 68.868 0.062 0.000 1.004 29 T HN -0.080 nan 8.240 nan 0.000 0.455 30 P HA 0.299 nan 4.420 nan 0.000 0.276 30 P C -2.131 175.136 177.300 -0.055 0.000 1.253 30 P CA -0.960 62.105 63.100 -0.060 0.000 0.766 30 P CB -0.347 31.304 31.700 -0.082 0.000 0.845 31 P HA 0.213 nan 4.420 nan 0.000 0.271 31 P C -2.456 174.814 177.300 -0.050 0.000 1.238 31 P CA -1.036 62.040 63.100 -0.040 0.000 0.794 31 P CB -1.097 30.584 31.700 -0.031 0.000 0.959 32 P HA 0.196 nan 4.420 nan 0.000 0.280 32 P C -0.093 177.202 177.300 -0.009 0.000 1.244 32 P CA 0.009 63.106 63.100 -0.004 0.000 0.784 32 P CB 0.406 32.115 31.700 0.015 0.000 0.913 33 D N 0.663 121.058 120.400 -0.009 0.000 2.274 33 D HA 0.174 4.815 4.640 0.001 0.000 0.256 33 D C -0.044 176.266 176.300 0.017 0.000 1.274 33 D CA 0.263 54.262 54.000 -0.003 0.000 0.998 33 D CB 0.143 40.942 40.800 -0.002 0.000 1.139 33 D HN 0.190 nan 8.370 nan 0.000 0.540 34 S N 0.223 115.938 115.700 0.026 0.000 2.592 34 S HA 0.164 4.635 4.470 0.001 0.000 0.151 34 S C -2.293 172.334 174.600 0.045 0.000 1.280 34 S CA -0.684 57.548 58.200 0.053 0.000 1.187 34 S CB 1.594 64.835 63.200 0.069 0.000 1.471 34 S HN 0.254 nan 8.310 nan 0.000 0.409 35 P HA 0.027 nan 4.420 nan 0.000 0.244 35 P C 0.840 178.130 177.300 -0.016 0.000 1.211 35 P CA 0.540 63.644 63.100 0.006 0.000 0.760 35 P CB -0.021 31.681 31.700 0.002 0.000 0.961 36 V N -6.024 113.893 119.914 0.005 0.000 3.177 36 V HA 0.249 4.370 4.120 0.001 0.000 0.220 36 V C 1.444 177.380 176.094 -0.264 0.000 1.395 36 V CA 0.118 62.341 62.300 -0.130 0.000 1.317 36 V CB -0.916 30.818 31.823 -0.148 0.000 1.148 36 V HN -0.183 nan 8.190 nan 0.000 0.499 37 F N 2.660 122.568 119.950 -0.070 0.000 2.660 37 F HA 0.625 5.152 4.527 0.001 0.000 0.302 37 F C 2.066 177.834 175.800 -0.052 0.000 1.103 37 F CA 0.639 58.591 58.000 -0.080 0.000 1.340 37 F CB 0.126 39.059 39.000 -0.112 0.000 1.048 37 F HN 0.223 nan 8.300 nan 0.000 0.551 38 G N 0.233 109.080 108.800 0.079 0.000 2.404 38 G HA2 -0.087 3.873 3.960 0.001 0.000 0.213 38 G HA3 -0.087 3.873 3.960 0.001 0.000 0.213 38 G C 2.060 176.975 174.900 0.025 0.000 1.189 38 G CA 0.689 45.819 45.100 0.051 0.000 0.796 38 G HN 0.420 nan 8.290 nan 0.000 0.532 39 G N 0.977 109.773 108.800 -0.007 0.000 2.503 39 G HA2 -0.223 3.737 3.960 0.001 0.000 0.221 39 G HA3 -0.223 3.737 3.960 0.001 0.000 0.221 39 G C 1.731 176.631 174.900 -0.001 0.000 1.131 39 G CA 1.100 46.192 45.100 -0.013 0.000 0.756 39 G HN 0.394 nan 8.290 nan 0.000 0.572 40 L N -0.498 120.723 121.223 -0.004 0.000 2.071 40 L HA 0.063 4.403 4.340 0.001 0.000 0.201 40 L C 2.820 179.718 176.870 0.046 0.000 1.076 40 L CA 1.092 55.939 54.840 0.012 0.000 0.755 40 L CB -0.848 41.205 42.059 -0.010 0.000 0.915 40 L HN 0.149 nan 8.230 nan 0.000 0.445 41 K N 0.369 120.808 120.400 0.065 0.000 2.071 41 K HA -0.291 4.029 4.320 0.001 0.000 0.217 41 K C 2.062 178.705 176.600 0.071 0.000 1.054 41 K CA 1.941 58.273 56.287 0.074 0.000 0.937 41 K CB -0.533 32.013 32.500 0.077 0.000 0.719 41 K HN 0.050 nan 8.250 nan 0.000 0.454 42 L N 1.790 123.047 121.223 0.057 0.000 1.963 42 L HA -0.300 4.040 4.340 0.001 0.000 0.220 42 L C 2.301 179.205 176.870 0.056 0.000 1.076 42 L CA 2.016 56.885 54.840 0.050 0.000 0.772 42 L CB -0.493 41.585 42.059 0.031 0.000 0.892 42 L HN 0.107 nan 8.230 nan 0.000 0.435 43 K N -1.013 119.416 120.400 0.049 0.000 2.044 43 K HA -0.241 4.079 4.320 0.001 0.000 0.210 43 K C 2.110 178.750 176.600 0.067 0.000 1.049 43 K CA 2.265 58.583 56.287 0.052 0.000 0.927 43 K CB -0.397 32.130 32.500 0.045 0.000 0.713 43 K HN 0.499 nan 8.250 nan 0.000 0.443 44 L N -0.206 121.062 121.223 0.075 0.000 2.141 44 L HA -0.046 4.294 4.340 0.001 0.000 0.209 44 L C 1.777 178.704 176.870 0.096 0.000 1.094 44 L CA 1.504 56.392 54.840 0.081 0.000 0.763 44 L CB -0.512 41.598 42.059 0.084 0.000 0.908 44 L HN -0.107 nan 8.230 nan 0.000 0.437 45 K N 1.215 121.695 120.400 0.133 0.000 2.025 45 K HA -0.078 4.242 4.320 0.001 0.000 0.207 45 K C 2.029 178.825 176.600 0.327 0.000 1.049 45 K CA 1.476 57.917 56.287 0.258 0.000 0.933 45 K CB -0.474 32.191 32.500 0.274 0.000 0.714 45 K HN 0.456 nan 8.250 nan 0.000 0.438 46 K N 0.937 121.436 120.400 0.164 0.000 2.144 46 K HA -0.207 4.113 4.320 0.001 0.000 0.209 46 K C 1.887 178.561 176.600 0.122 0.000 1.047 46 K CA 1.345 57.702 56.287 0.116 0.000 0.927 46 K CB -0.005 32.530 32.500 0.059 0.000 0.716 46 K HN 0.196 nan 8.250 nan 0.000 0.454 47 E N 0.879 121.129 120.200 0.083 0.000 2.016 47 E HA -0.153 4.197 4.350 0.001 0.000 0.190 47 E C 1.945 178.543 176.600 -0.004 0.000 0.985 47 E CA 0.633 57.036 56.400 0.005 0.000 0.802 47 E CB -0.237 29.465 29.700 0.003 0.000 0.762 47 E HN 0.187 nan 8.360 nan 0.000 0.448 48 K N 0.450 120.853 120.400 0.005 0.000 2.097 48 K HA -0.213 4.108 4.320 0.001 0.000 0.214 48 K C 2.100 178.516 176.600 -0.308 0.000 1.052 48 K CA 1.621 57.796 56.287 -0.187 0.000 0.932 48 K CB -0.313 32.000 32.500 -0.312 0.000 0.716 48 K HN 0.054 nan 8.250 nan 0.000 0.455 49 F N 0.712 120.605 119.950 -0.096 0.000 2.187 49 F HA 0.025 4.552 4.527 0.001 0.000 0.295 49 F C 2.492 178.283 175.800 -0.015 0.000 1.091 49 F CA 0.789 58.740 58.000 -0.081 0.000 1.308 49 F CB -0.390 38.647 39.000 0.061 0.000 1.030 49 F HN -0.036 nan 8.300 nan 0.000 0.487 50 K N 0.211 120.696 120.400 0.142 0.000 2.032 50 K HA -0.218 4.103 4.320 0.001 0.000 0.218 50 K C 1.980 178.470 176.600 -0.182 0.000 1.054 50 K CA 2.522 58.746 56.287 -0.105 0.000 0.941 50 K CB -0.725 31.558 32.500 -0.363 0.000 0.720 50 K HN 0.213 nan 8.250 nan 0.000 0.449 51 T N 2.165 116.597 114.554 -0.203 0.000 2.720 51 T HA -0.142 4.208 4.350 0.001 0.000 0.268 51 T C 1.593 176.198 174.700 -0.159 0.000 1.037 51 T CA 1.167 63.156 62.100 -0.185 0.000 1.144 51 T CB -0.190 68.576 68.868 -0.171 0.000 0.864 51 T HN 0.181 nan 8.240 nan 0.000 0.444 52 L N 0.036 121.131 121.223 -0.213 0.000 2.056 52 L HA 0.051 4.392 4.340 0.001 0.000 0.207 52 L C 1.988 178.689 176.870 -0.281 0.000 1.078 52 L CA 1.899 56.544 54.840 -0.325 0.000 0.749 52 L CB -0.846 40.887 42.059 -0.543 0.000 0.901 52 L HN 0.271 nan 8.230 nan 0.000 0.433 53 F N 0.267 120.181 119.950 -0.060 0.000 2.456 53 F HA -0.098 4.429 4.527 0.001 0.000 0.298 53 F C 2.398 178.175 175.800 -0.039 0.000 1.104 53 F CA 0.893 58.871 58.000 -0.037 0.000 1.435 53 F CB -0.182 38.830 39.000 0.021 0.000 1.078 53 F HN 0.094 nan 8.300 nan 0.000 0.546 54 T N 1.009 115.644 114.554 0.136 0.000 2.569 54 T HA -0.272 4.078 4.350 0.001 0.000 0.263 54 T C 1.945 176.629 174.700 -0.027 0.000 1.074 54 T CA 1.569 63.726 62.100 0.096 0.000 1.176 54 T CB -0.721 68.215 68.868 0.114 0.000 0.863 54 T HN 0.119 nan 8.240 nan 0.000 0.410 55 L N 1.482 122.663 121.223 -0.069 0.000 2.089 55 L HA -0.047 4.293 4.340 0.001 0.000 0.213 55 L C 2.494 179.303 176.870 -0.101 0.000 1.079 55 L CA 2.123 56.896 54.840 -0.111 0.000 0.758 55 L CB -1.161 40.821 42.059 -0.128 0.000 0.891 55 L HN 0.373 nan 8.230 nan 0.000 0.433 56 G N -2.870 105.894 108.800 -0.059 0.000 2.471 56 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 56 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 56 G C 1.526 176.418 174.900 -0.013 0.000 1.125 56 G CA 1.058 46.150 45.100 -0.014 0.000 0.775 56 G HN 0.423 nan 8.290 nan 0.000 0.548 57 T N -0.920 113.603 114.554 -0.051 0.000 3.014 57 T HA 0.105 4.455 4.350 0.001 0.000 0.250 57 T C 2.482 177.008 174.700 -0.290 0.000 1.060 57 T CA 1.118 63.139 62.100 -0.132 0.000 1.040 57 T CB -0.026 68.773 68.868 -0.114 0.000 0.971 57 T HN 0.198 nan 8.240 nan 0.000 0.497 58 T N 2.105 116.480 114.554 -0.299 0.000 2.732 58 T HA 0.127 4.477 4.350 0.001 0.000 0.261 58 T C 1.787 176.368 174.700 -0.199 0.000 1.040 58 T CA 0.867 62.748 62.100 -0.365 0.000 1.145 58 T CB -0.254 68.455 68.868 -0.266 0.000 0.866 58 T HN 0.264 nan 8.240 nan 0.000 0.427 59 L N 0.542 121.687 121.223 -0.131 0.000 2.191 59 L HA -0.017 4.323 4.340 0.001 0.000 0.212 59 L C 2.415 179.251 176.870 -0.057 0.000 1.103 59 L CA 0.824 55.617 54.840 -0.078 0.000 0.769 59 L CB -0.342 41.675 42.059 -0.070 0.000 0.908 59 L HN 0.017 nan 8.230 nan 0.000 0.438 60 K N 0.545 120.901 120.400 -0.072 0.000 2.525 60 K HA 0.093 4.413 4.320 0.001 0.000 0.192 60 K C 1.046 177.639 176.600 -0.012 0.000 1.029 60 K CA 0.711 56.973 56.287 -0.042 0.000 1.029 60 K CB -0.203 32.268 32.500 -0.047 0.000 0.814 60 K HN 0.340 nan 8.250 nan 0.000 0.503 61 G N 1.072 109.864 108.800 -0.014 0.000 2.289 61 G HA2 -0.269 3.692 3.960 0.001 0.000 0.280 61 G HA3 -0.269 3.692 3.960 0.001 0.000 0.280 61 G C 0.196 175.221 174.900 0.208 0.000 1.089 61 G CA 0.014 45.171 45.100 0.096 0.000 0.939 61 G HN 0.247 nan 8.290 nan 0.000 0.499 62 F N -2.705 117.239 119.950 -0.010 0.000 2.987 62 F HA -0.267 4.260 4.527 0.001 0.000 0.309 62 F C 1.775 177.562 175.800 -0.021 0.000 0.724 62 F CA 1.816 59.805 58.000 -0.019 0.000 1.079 62 F CB -0.979 38.007 39.000 -0.024 0.000 1.432 62 F HN 0.603 nan 8.300 nan 0.000 0.351 63 R N 1.406 121.962 120.500 0.093 0.000 2.637 63 R HA 0.368 4.709 4.340 0.001 0.000 0.269 63 R C 0.508 176.810 176.300 0.004 0.000 1.089 63 R CA -0.773 55.356 56.100 0.047 0.000 1.177 63 R CB 0.366 30.686 30.300 0.033 0.000 1.091 63 R HN 0.173 nan 8.270 nan 0.000 0.540 64 R N 1.139 121.636 120.500 -0.005 0.000 2.485 64 R HA -0.032 4.309 4.340 0.001 0.000 0.304 64 R C 0.669 176.944 176.300 -0.042 0.000 0.934 64 R CA 0.426 56.505 56.100 -0.035 0.000 1.102 64 R CB -0.137 30.147 30.300 -0.027 0.000 0.906 64 R HN 0.729 nan 8.270 nan 0.000 0.407 65 A N 4.199 126.977 122.820 -0.070 0.000 1.837 65 A HA -0.179 4.141 4.320 0.001 0.000 0.216 65 A C 1.238 178.798 177.584 -0.040 0.000 1.210 65 A CA 1.920 53.927 52.037 -0.050 0.000 0.632 65 A CB -0.842 18.130 19.000 -0.047 0.000 0.843 65 A HN 0.928 nan 8.150 nan 0.000 0.448 66 T N -4.305 110.216 114.554 -0.054 0.000 2.913 66 T HA 0.453 4.803 4.350 0.001 0.000 0.287 66 T C -0.033 174.737 174.700 0.116 0.000 1.008 66 T CA 0.393 62.487 62.100 -0.011 0.000 1.067 66 T CB 0.368 69.259 68.868 0.038 0.000 0.996 66 T HN 0.755 nan 8.240 nan 0.000 0.513 67 H N -0.115 118.924 119.070 -0.051 0.000 2.750 67 H HA -0.146 4.410 4.556 0.001 0.000 0.327 67 H C 1.145 176.448 175.328 -0.041 0.000 1.199 67 H CA 0.649 56.676 56.048 -0.035 0.000 1.149 67 H CB -2.646 27.088 29.762 -0.046 0.000 1.543 67 H HN 0.806 nan 8.280 nan 0.000 0.427 68 T N -0.786 113.786 114.554 0.030 0.000 2.520 68 T HA -0.056 4.294 4.350 0.001 0.000 0.258 68 T C 1.377 176.097 174.700 0.032 0.000 1.125 68 T CA 1.517 63.628 62.100 0.018 0.000 1.206 68 T CB -0.084 68.783 68.868 -0.003 0.000 0.864 68 T HN 0.439 nan 8.240 nan 0.000 0.400 69 V N 0.072 120.008 119.914 0.038 0.000 2.546 69 V HA 0.838 4.958 4.120 0.001 0.000 0.284 69 V C 0.254 176.378 176.094 0.051 0.000 1.050 69 V CA -0.420 61.906 62.300 0.044 0.000 0.981 69 V CB 0.788 32.641 31.823 0.050 0.000 0.990 69 V HN 0.613 nan 8.190 nan 0.000 0.474 70 G N 1.996 110.812 108.800 0.027 0.000 2.619 70 G HA2 0.661 4.621 3.960 0.001 0.000 0.305 70 G HA3 0.661 4.621 3.960 0.001 0.000 0.305 70 G C -0.911 173.966 174.900 -0.039 0.000 1.330 70 G CA 0.133 45.221 45.100 -0.020 0.000 0.789 70 G HN 1.017 nan 8.290 nan 0.000 0.487 71 T N -2.444 112.025 114.554 -0.142 0.000 2.676 71 T HA 0.896 5.246 4.350 0.001 0.000 0.269 71 T C 0.010 174.622 174.700 -0.146 0.000 0.952 71 T CA 0.638 62.692 62.100 -0.076 0.000 1.040 71 T CB 1.435 70.312 68.868 0.015 0.000 1.352 71 T HN 2.366 nan 8.240 nan 0.000 0.554 72 G N -1.350 107.441 108.800 -0.015 0.000 2.352 72 G HA2 0.491 4.451 3.960 0.001 0.000 0.302 72 G HA3 0.491 4.451 3.960 0.001 0.000 0.302 72 G C -0.618 174.344 174.900 0.104 0.000 1.370 72 G CA 0.057 45.132 45.100 -0.041 0.000 0.918 72 G HN 1.211 nan 8.290 nan 0.000 0.610 73 G N -1.429 107.408 108.800 0.061 0.000 2.721 73 G HA2 0.732 4.692 3.960 0.001 0.000 0.296 73 G HA3 0.732 4.692 3.960 0.001 0.000 0.296 73 G C -1.199 173.706 174.900 0.008 0.000 1.383 73 G CA -0.761 44.375 45.100 0.059 0.000 0.788 73 G HN 0.844 nan 8.290 nan 0.000 0.500 74 I N 0.115 120.690 120.570 0.009 0.000 2.525 74 I HA 0.774 4.945 4.170 0.001 0.000 0.301 74 I C 0.772 176.896 176.117 0.011 0.000 0.992 74 I CA -0.335 60.964 61.300 -0.001 0.000 1.162 74 I CB 2.012 40.011 38.000 -0.002 0.000 1.332 74 I HN 0.874 nan 8.210 nan 0.000 0.458 75 G N 3.710 112.517 108.800 0.012 0.000 2.490 75 G HA2 0.440 4.400 3.960 0.001 0.000 0.308 75 G HA3 0.440 4.400 3.960 0.001 0.000 0.308 75 G C -1.874 173.052 174.900 0.042 0.000 1.286 75 G CA -0.556 44.563 45.100 0.030 0.000 0.825 75 G HN 0.517 nan 8.290 nan 0.000 0.479 76 E N -0.757 119.481 120.200 0.063 0.000 2.256 76 E HA 0.568 4.919 4.350 0.001 0.000 0.267 76 E C -0.961 175.714 176.600 0.125 0.000 0.892 76 E CA -0.649 55.807 56.400 0.094 0.000 0.775 76 E CB 2.821 32.570 29.700 0.082 0.000 1.207 76 E HN 0.344 nan 8.360 nan 0.000 0.420 77 I N 1.907 122.595 120.570 0.197 0.000 2.354 77 I HA 0.227 4.397 4.170 0.001 0.000 0.286 77 I C -0.350 175.965 176.117 0.329 0.000 1.007 77 I CA -0.386 61.074 61.300 0.266 0.000 1.167 77 I CB 1.645 39.834 38.000 0.314 0.000 1.320 77 I HN 0.288 nan 8.210 nan 0.000 0.458 78 T N 6.728 121.427 114.554 0.241 0.000 2.767 78 T HA 0.441 4.791 4.350 0.001 0.000 0.284 78 T C 0.394 175.240 174.700 0.244 0.000 0.973 78 T CA -0.447 61.768 62.100 0.191 0.000 0.996 78 T CB 0.755 69.695 68.868 0.121 0.000 0.927 78 T HN 0.199 nan 8.240 nan 0.000 0.456 79 I N 3.451 124.173 120.570 0.254 0.000 2.710 79 I HA 0.048 4.219 4.170 0.001 0.000 0.286 79 I C 1.222 177.476 176.117 0.228 0.000 1.181 79 I CA -0.138 61.348 61.300 0.310 0.000 1.430 79 I CB 0.182 38.375 38.000 0.322 0.000 1.367 79 I HN 0.319 nan 8.210 nan 0.000 0.577 80 V N 7.534 127.600 119.914 0.254 0.000 3.032 80 V HA -0.109 4.011 4.120 0.001 0.000 0.307 80 V C 1.575 177.747 176.094 0.131 0.000 1.097 80 V CA 0.192 62.604 62.300 0.188 0.000 1.191 80 V CB 0.435 32.385 31.823 0.211 0.000 0.964 80 V HN 0.818 nan 8.190 nan 0.000 0.494 81 N N 3.487 122.243 118.700 0.095 0.000 2.002 81 N HA -0.131 4.609 4.740 0.001 0.000 0.199 81 N C 0.466 176.003 175.510 0.046 0.000 1.067 81 N CA 2.011 55.098 53.050 0.062 0.000 0.870 81 N CB -0.368 38.150 38.487 0.051 0.000 1.073 81 N HN 0.869 nan 8.380 nan 0.000 0.432 82 D N 1.979 122.403 120.400 0.040 0.000 2.443 82 D HA 0.279 4.919 4.640 0.001 0.000 0.221 82 D C -2.443 173.858 176.300 0.001 0.000 1.097 82 D CA -1.620 52.389 54.000 0.015 0.000 0.865 82 D CB 1.041 41.852 40.800 0.019 0.000 1.034 82 D HN 0.134 nan 8.370 nan 0.000 0.511 83 P HA 0.244 nan 4.420 nan 0.000 0.281 83 P C -0.139 177.020 177.300 -0.235 0.000 1.249 83 P CA -0.495 62.452 63.100 -0.254 0.000 0.810 83 P CB 1.668 32.992 31.700 -0.627 0.000 1.008 84 K N 0.640 120.966 120.400 -0.123 0.000 2.425 84 K HA 0.152 4.473 4.320 0.001 0.000 0.201 84 K C 0.789 177.395 176.600 0.009 0.000 1.128 84 K CA 0.112 56.477 56.287 0.131 0.000 1.000 84 K CB -0.002 32.749 32.500 0.419 0.000 0.961 84 K HN 0.522 nan 8.250 nan 0.000 0.555 85 F N 2.509 122.297 119.950 -0.270 0.000 2.450 85 F HA 0.391 4.919 4.527 0.001 0.000 0.339 85 F C -2.194 173.484 175.800 -0.203 0.000 1.146 85 F CA -3.042 54.496 58.000 -0.769 0.000 1.267 85 F CB -1.135 37.357 39.000 -0.846 0.000 1.178 85 F HN -0.236 nan 8.300 nan 0.000 0.585 86 P HA -0.024 nan 4.420 nan 0.000 0.261 86 P C -0.567 176.930 177.300 0.329 0.000 1.183 86 P CA 0.139 63.352 63.100 0.189 0.000 0.761 86 P CB 0.294 32.140 31.700 0.243 0.000 0.785 87 E N 1.755 122.060 120.200 0.176 0.000 2.760 87 E HA -0.147 4.204 4.350 0.001 0.000 0.268 87 E C -0.097 176.683 176.600 0.301 0.000 0.935 87 E CA 1.057 57.574 56.400 0.194 0.000 0.960 87 E CB 0.070 29.825 29.700 0.091 0.000 0.931 87 E HN 0.482 nan 8.360 nan 0.000 0.483 88 H N 0.849 120.067 119.070 0.247 0.000 2.690 88 H HA 0.122 4.678 4.556 0.001 0.000 0.368 88 H C -0.256 175.164 175.328 0.154 0.000 1.150 88 H CA -0.735 55.435 56.048 0.203 0.000 1.174 88 H CB 1.149 31.167 29.762 0.427 0.000 1.684 88 H HN 0.532 nan 8.280 nan 0.000 0.538 89 E N 3.664 123.700 120.200 -0.274 0.000 2.311 89 E HA 0.111 4.461 4.350 0.001 0.000 0.198 89 E C -0.477 176.156 176.600 0.054 0.000 1.115 89 E CA 0.082 56.422 56.400 -0.099 0.000 1.140 89 E CB 0.133 29.751 29.700 -0.137 0.000 1.204 89 E HN 0.502 nan 8.360 nan 0.000 0.446 90 F N -0.397 119.581 119.950 0.046 0.000 1.769 90 F HA 0.265 4.793 4.527 0.000 0.000 0.246 90 F C -0.427 175.411 175.800 0.063 0.000 1.187 90 F CA -0.549 57.461 58.000 0.018 0.000 1.306 90 F CB 0.585 39.511 39.000 -0.124 0.000 1.792 90 F HN -0.082 nan 8.300 nan 0.000 0.401 91 F N 3.372 123.683 119.950 0.602 0.000 2.677 91 F HA 0.233 4.760 4.527 0.000 0.000 0.358 91 F C 0.161 176.190 175.800 0.380 0.000 1.266 91 F CA 0.268 58.517 58.000 0.416 0.000 1.262 91 F CB -0.580 38.668 39.000 0.412 0.000 1.684 91 F HN -0.180 nan 8.300 nan 0.000 0.671 92 T N 1.136 115.863 114.554 0.288 0.000 2.902 92 T HA 0.490 4.840 4.350 0.001 0.000 0.283 92 T C 0.345 175.124 174.700 0.131 0.000 1.009 92 T CA -0.789 61.420 62.100 0.182 0.000 1.051 92 T CB 1.530 70.432 68.868 0.056 0.000 0.999 92 T HN 0.474 nan 8.240 nan 0.000 0.474 93 A N 1.802 124.678 122.820 0.094 0.000 2.320 93 A HA 0.312 4.632 4.320 0.001 0.000 0.309 93 A C 1.652 179.257 177.584 0.034 0.000 1.019 93 A CA 0.645 52.715 52.037 0.054 0.000 1.241 93 A CB -1.633 17.380 19.000 0.022 0.000 0.775 93 A HN 1.861 nan 8.150 nan 0.000 0.411 94 G N 1.813 110.650 108.800 0.062 0.000 2.179 94 G HA2 -0.290 3.670 3.960 0.001 0.000 0.257 94 G HA3 -0.290 3.670 3.960 0.001 0.000 0.257 94 G C 0.490 175.365 174.900 -0.043 0.000 1.010 94 G CA 0.391 45.510 45.100 0.031 0.000 0.736 94 G HN 0.970 nan 8.290 nan 0.000 0.513 95 R N 1.590 122.035 120.500 -0.091 0.000 3.206 95 R HA 0.196 4.536 4.340 0.001 0.000 0.209 95 R C 1.164 177.140 176.300 -0.541 0.000 1.632 95 R CA 0.826 56.733 56.100 -0.322 0.000 1.234 95 R CB -0.781 29.289 30.300 -0.383 0.000 1.270 95 R HN 0.532 nan 8.270 nan 0.000 0.665 96 T N 0.921 115.267 114.554 -0.346 0.000 2.930 96 T HA 0.230 4.580 4.350 0.001 0.000 0.306 96 T C -0.047 174.394 174.700 -0.431 0.000 1.045 96 T CA -0.032 61.926 62.100 -0.237 0.000 1.134 96 T CB 0.310 69.142 68.868 -0.061 0.000 0.961 96 T HN 0.253 nan 8.240 nan 0.000 0.545 97 F N 3.612 123.615 119.950 0.087 0.000 2.579 97 F HA 0.622 5.150 4.527 0.001 0.000 0.324 97 F C -2.054 173.799 175.800 0.088 0.000 1.058 97 F CA -2.600 55.460 58.000 0.100 0.000 0.944 97 F CB 1.996 41.135 39.000 0.230 0.000 1.245 97 F HN 0.443 nan 8.300 nan 0.000 0.477 98 P HA 0.604 nan 4.420 nan 0.000 0.281 98 P C -1.601 175.777 177.300 0.130 0.000 1.264 98 P CA -0.497 62.693 63.100 0.150 0.000 0.824 98 P CB 1.733 33.490 31.700 0.096 0.000 1.092 99 A N 1.148 123.999 122.820 0.051 0.000 2.604 99 A HA 0.664 4.984 4.320 0.001 0.000 0.295 99 A C -0.946 176.612 177.584 -0.044 0.000 1.067 99 A CA -0.772 51.256 52.037 -0.015 0.000 0.683 99 A CB 1.452 20.415 19.000 -0.062 0.000 1.281 99 A HN 0.448 nan 8.150 nan 0.000 0.407 100 R N 0.204 120.664 120.500 -0.066 0.000 2.664 100 R HA 0.748 5.089 4.340 0.001 0.000 0.286 100 R C -1.276 174.994 176.300 -0.049 0.000 0.967 100 R CA -0.629 55.439 56.100 -0.052 0.000 0.933 100 R CB 2.157 32.407 30.300 -0.084 0.000 1.146 100 R HN 0.689 nan 8.270 nan 0.000 0.468 101 L N 1.350 122.497 121.223 -0.126 0.000 2.370 101 L HA 0.620 4.960 4.340 0.001 0.000 0.266 101 L C -1.153 175.474 176.870 -0.405 0.000 1.002 101 L CA -0.792 53.800 54.840 -0.414 0.000 0.818 101 L CB 2.064 43.769 42.059 -0.591 0.000 1.325 101 L HN 0.595 nan 8.230 nan 0.000 0.418 102 R N 2.192 122.244 120.500 -0.748 0.000 2.518 102 R HA 0.413 4.754 4.340 0.001 0.000 0.296 102 R C -1.552 174.236 176.300 -0.853 0.000 1.080 102 R CA -0.532 55.188 56.100 -0.633 0.000 0.922 102 R CB 0.855 30.997 30.300 -0.263 0.000 1.184 102 R HN 0.782 nan 8.270 nan 0.000 0.445 103 H N 1.616 120.213 119.070 -0.788 0.000 2.511 103 H HA 0.732 5.289 4.556 0.001 0.000 0.346 103 H C -0.161 174.726 175.328 -0.735 0.000 1.128 103 H CA 0.315 55.764 56.048 -0.997 0.000 1.342 103 H CB 1.874 30.470 29.762 -1.944 0.000 1.470 103 H HN 0.760 nan 8.280 nan 0.000 0.546 104 A N 1.971 124.661 122.820 -0.217 0.000 2.581 104 A HA 0.448 4.769 4.320 0.001 0.000 0.290 104 A C -1.380 176.387 177.584 0.305 0.000 1.119 104 A CA -1.188 50.886 52.037 0.062 0.000 0.670 104 A CB 1.223 20.275 19.000 0.087 0.000 1.280 104 A HN 0.766 nan 8.150 nan 0.000 0.425 105 N N 0.600 119.428 118.700 0.213 0.000 2.408 105 N HA 0.467 5.207 4.740 0.001 0.000 0.280 105 N C 0.540 176.028 175.510 -0.037 0.000 1.002 105 N CA -0.767 52.361 53.050 0.130 0.000 0.907 105 N CB 1.542 40.090 38.487 0.102 0.000 1.161 105 N HN 0.565 nan 8.380 nan 0.000 0.488 106 L N 2.523 123.637 121.223 -0.180 0.000 1.910 106 L HA -0.013 4.328 4.340 0.001 0.000 0.221 106 L C 1.688 178.357 176.870 -0.335 0.000 1.084 106 L CA 1.994 56.516 54.840 -0.531 0.000 0.779 106 L CB -0.422 41.407 42.059 -0.384 0.000 0.888 106 L HN 0.660 nan 8.230 nan 0.000 0.432 107 K N -2.714 117.532 120.400 -0.258 0.000 2.262 107 K HA -0.002 4.318 4.320 0.001 0.000 0.200 107 K C -0.491 175.796 176.600 -0.522 0.000 1.049 107 K CA 0.234 56.275 56.287 -0.410 0.000 0.979 107 K CB 0.147 32.335 32.500 -0.520 0.000 0.773 107 K HN 0.281 nan 8.250 nan 0.000 0.474 108 Y N 0.345 120.585 120.300 -0.100 0.000 2.393 108 Y HA 0.285 4.835 4.550 0.001 0.000 0.341 108 Y C -2.262 173.619 175.900 -0.031 0.000 0.988 108 Y CA -2.879 55.186 58.100 -0.058 0.000 1.078 108 Y CB 1.717 40.142 38.460 -0.060 0.000 1.203 108 Y HN -0.020 nan 8.280 nan 0.000 0.453 109 P HA 0.170 nan 4.420 nan 0.000 0.209 109 P C -1.134 176.219 177.300 0.089 0.000 1.843 109 P CA 0.213 63.368 63.100 0.093 0.000 0.985 109 P CB 0.362 32.105 31.700 0.071 0.000 1.904 110 D N 0.866 121.314 120.400 0.080 0.000 2.804 110 D HA 0.060 4.701 4.640 0.001 0.000 0.209 110 D C -0.100 176.202 176.300 0.004 0.000 1.314 110 D CA -0.202 53.826 54.000 0.047 0.000 0.894 110 D CB 1.359 42.191 40.800 0.054 0.000 1.615 110 D HN -0.200 nan 8.370 nan 0.000 0.571 111 D N 2.038 122.396 120.400 -0.070 0.000 2.347 111 D HA 0.040 4.681 4.640 0.001 0.000 0.215 111 D C 1.560 177.804 176.300 -0.092 0.000 0.976 111 D CA 0.648 54.487 54.000 -0.268 0.000 0.884 111 D CB 0.413 40.788 40.800 -0.708 0.000 0.915 111 D HN 0.468 nan 8.370 nan 0.000 0.526 112 A N 0.491 123.386 122.820 0.125 0.000 2.030 112 A HA 0.333 4.653 4.320 0.001 0.000 0.215 112 A C 1.523 179.190 177.584 0.137 0.000 1.164 112 A CA 0.666 52.861 52.037 0.263 0.000 0.697 112 A CB -0.185 18.952 19.000 0.228 0.000 0.827 112 A HN 0.198 nan 8.150 nan 0.000 0.457 113 G N -0.594 108.242 108.800 0.060 0.000 2.476 113 G HA2 0.510 4.471 3.960 0.001 0.000 0.269 113 G HA3 0.510 4.471 3.960 0.001 0.000 0.269 113 G C 0.324 175.244 174.900 0.032 0.000 1.195 113 G CA 0.071 45.179 45.100 0.013 0.000 0.843 113 G HN 0.736 nan 8.290 nan 0.000 0.545 114 A N 0.804 123.656 122.820 0.053 0.000 2.555 114 A HA 0.472 4.793 4.320 0.001 0.000 0.233 114 A C 0.307 177.915 177.584 0.040 0.000 1.060 114 A CA 0.618 52.706 52.037 0.086 0.000 0.759 114 A CB 0.263 19.366 19.000 0.171 0.000 0.995 114 A HN 0.789 nan 8.150 nan 0.000 0.506 115 D N -1.327 119.086 120.400 0.022 0.000 2.820 115 D HA 0.396 5.037 4.640 0.001 0.000 0.244 115 D C -0.603 175.703 176.300 0.010 0.000 1.106 115 D CA 0.487 54.481 54.000 -0.010 0.000 0.741 115 D CB 0.762 41.579 40.800 0.029 0.000 2.042 115 D HN 0.911 nan 8.370 nan 0.000 0.459 116 A N 2.889 125.710 122.820 0.002 0.000 2.425 116 A HA 0.638 4.959 4.320 0.001 0.000 0.249 116 A C 0.144 177.796 177.584 0.112 0.000 1.084 116 A CA -0.175 51.886 52.037 0.041 0.000 0.781 116 A CB 0.427 19.445 19.000 0.030 0.000 1.019 116 A HN 0.332 nan 8.150 nan 0.000 0.490 117 R N 1.447 122.055 120.500 0.181 0.000 2.532 117 R HA 0.545 4.886 4.340 0.001 0.000 0.295 117 R C 0.016 176.642 176.300 0.543 0.000 0.968 117 R CA -0.281 56.037 56.100 0.364 0.000 0.916 117 R CB 1.445 31.960 30.300 0.359 0.000 1.124 117 R HN 0.880 nan 8.270 nan 0.000 0.463 118 S N 1.079 117.096 115.700 0.529 0.000 2.690 118 S HA 0.740 5.211 4.470 0.001 0.000 0.291 118 S C -0.500 174.149 174.600 0.081 0.000 1.138 118 S CA -0.721 57.688 58.200 0.348 0.000 1.013 118 S CB 1.467 64.772 63.200 0.176 0.000 1.053 118 S HN 0.612 nan 8.310 nan 0.000 0.539 119 F N 1.335 121.021 119.950 -0.440 0.000 3.152 119 F HA 0.478 5.005 4.527 0.001 0.000 0.367 119 F C -1.188 174.179 175.800 -0.722 0.000 1.272 119 F CA -0.327 57.144 58.000 -0.883 0.000 1.172 119 F CB 0.840 38.907 39.000 -1.555 0.000 1.552 119 F HN 0.800 nan 8.300 nan 0.000 0.616 120 S N 6.950 122.024 115.700 -1.044 0.000 2.502 120 S HA 0.845 5.316 4.470 0.001 0.000 0.304 120 S C -0.655 173.076 174.600 -1.448 0.000 1.097 120 S CA -0.699 56.829 58.200 -1.120 0.000 1.045 120 S CB 1.862 64.310 63.200 -1.253 0.000 1.019 120 S HN 0.780 nan 8.310 nan 0.000 0.481 121 I N -0.921 119.099 120.570 -0.917 0.000 2.740 121 I HA 0.732 4.902 4.170 0.001 0.000 0.303 121 I C -0.841 175.220 176.117 -0.093 0.000 1.044 121 I CA -1.067 59.904 61.300 -0.548 0.000 1.064 121 I CB 2.051 39.638 38.000 -0.688 0.000 1.249 121 I HN 0.617 nan 8.210 nan 0.000 0.433 122 K N 3.693 124.105 120.400 0.020 0.000 2.323 122 K HA 0.422 4.742 4.320 0.001 0.000 0.259 122 K C -0.904 175.594 176.600 -0.171 0.000 0.947 122 K CA -0.687 55.581 56.287 -0.032 0.000 0.819 122 K CB 1.168 33.615 32.500 -0.089 0.000 1.109 122 K HN 0.655 nan 8.250 nan 0.000 0.429 123 F N 2.665 122.564 119.950 -0.084 0.000 2.707 123 F HA 0.131 4.658 4.527 0.001 0.000 0.299 123 F C 0.605 176.358 175.800 -0.079 0.000 1.259 123 F CA 0.276 58.174 58.000 -0.171 0.000 1.437 123 F CB 0.136 38.880 39.000 -0.426 0.000 1.071 123 F HN 0.483 nan 8.300 nan 0.000 0.518 124 A N -0.637 122.227 122.820 0.074 0.000 2.606 124 A HA 0.449 4.769 4.320 0.001 0.000 0.293 124 A C -1.072 176.514 177.584 0.004 0.000 1.082 124 A CA -0.766 51.311 52.037 0.066 0.000 0.685 124 A CB 0.950 19.978 19.000 0.047 0.000 1.284 124 A HN -0.086 nan 8.150 nan 0.000 0.408 125 D N 1.672 122.079 120.400 0.012 0.000 2.767 125 D HA 0.448 5.089 4.640 0.001 0.000 0.241 125 D C -0.217 176.061 176.300 -0.038 0.000 1.187 125 D CA 0.466 54.455 54.000 -0.018 0.000 0.999 125 D CB -0.168 40.632 40.800 0.001 0.000 1.042 125 D HN 0.599 nan 8.370 nan 0.000 0.510 126 S N 0.083 115.741 115.700 -0.071 0.000 2.595 126 S HA 0.306 4.776 4.470 0.001 0.000 0.281 126 S C 0.570 175.091 174.600 -0.130 0.000 1.117 126 S CA -0.867 57.285 58.200 -0.080 0.000 0.873 126 S CB 1.804 64.967 63.200 -0.061 0.000 1.108 126 S HN -0.122 nan 8.310 nan 0.000 0.477 127 D N 1.444 121.776 120.400 -0.114 0.000 2.263 127 D HA 0.071 4.711 4.640 0.001 0.000 0.208 127 D C 0.964 177.158 176.300 -0.176 0.000 0.971 127 D CA 1.855 55.773 54.000 -0.136 0.000 0.867 127 D CB 0.043 40.788 40.800 -0.093 0.000 0.929 127 D HN 0.712 nan 8.370 nan 0.000 0.492 128 S N -2.082 113.526 115.700 -0.153 0.000 2.703 128 S HA 0.442 4.912 4.470 0.001 0.000 0.273 128 S C -0.939 173.594 174.600 -0.112 0.000 1.178 128 S CA -0.839 57.270 58.200 -0.152 0.000 0.838 128 S CB 1.977 65.117 63.200 -0.101 0.000 1.178 128 S HN -0.072 nan 8.310 nan 0.000 0.494 129 D N -0.120 120.229 120.400 -0.085 0.000 3.254 129 D HA 0.221 4.861 4.640 0.001 0.000 0.216 129 D C 0.693 176.967 176.300 -0.043 0.000 1.556 129 D CA 2.511 56.482 54.000 -0.049 0.000 1.105 129 D CB -1.598 39.181 40.800 -0.035 0.000 0.682 129 D HN 2.078 nan 8.370 nan 0.000 0.810 130 G N -1.660 107.130 108.800 -0.017 0.000 2.409 130 G HA2 0.125 4.086 3.960 0.001 0.000 0.421 130 G HA3 0.125 4.086 3.960 0.001 0.000 0.421 130 G C -2.246 172.667 174.900 0.022 0.000 1.259 130 G CA 0.324 45.430 45.100 0.009 0.000 1.011 130 G HN 0.589 nan 8.290 nan 0.000 0.497 131 P HA 0.387 nan 4.420 nan 0.000 0.217 131 P C 0.340 177.611 177.300 -0.048 0.000 1.153 131 P CA 0.995 64.123 63.100 0.046 0.000 0.843 131 P CB 0.511 32.296 31.700 0.143 0.000 0.794 132 L N -0.687 120.549 121.223 0.022 0.000 2.592 132 L HA 0.521 4.862 4.340 0.001 0.000 0.258 132 L C -2.206 174.793 176.870 0.214 0.000 0.926 132 L CA -0.509 54.351 54.840 0.033 0.000 0.885 132 L CB 2.152 44.106 42.059 -0.174 0.000 1.380 132 L HN -0.327 nan 8.230 nan 0.000 0.415 133 D N 4.028 124.507 120.400 0.132 0.000 2.433 133 D HA 0.659 5.299 4.640 0.001 0.000 0.236 133 D C -0.847 175.488 176.300 0.058 0.000 1.026 133 D CA 0.185 54.252 54.000 0.113 0.000 0.884 133 D CB 2.647 43.532 40.800 0.141 0.000 1.384 133 D HN 0.484 nan 8.370 nan 0.000 0.477 134 I N 1.323 121.861 120.570 -0.053 0.000 2.468 134 I HA 0.212 4.383 4.170 0.001 0.000 0.285 134 I C -0.642 175.393 176.117 -0.137 0.000 1.039 134 I CA -0.991 60.240 61.300 -0.114 0.000 1.074 134 I CB 1.886 39.725 38.000 -0.267 0.000 1.228 134 I HN 0.026 nan 8.210 nan 0.000 0.436 135 V N 4.508 124.386 119.914 -0.060 0.000 2.334 135 V HA 0.589 4.709 4.120 0.001 0.000 0.281 135 V C -0.021 176.073 176.094 -0.001 0.000 1.016 135 V CA -0.540 61.696 62.300 -0.107 0.000 0.832 135 V CB 1.123 32.914 31.823 -0.053 0.000 0.999 135 V HN 0.659 nan 8.190 nan 0.000 0.439 136 M N 3.880 123.489 119.600 0.016 0.000 2.644 136 M HA 0.615 5.095 4.480 0.001 0.000 0.316 136 M C -0.667 175.746 176.300 0.189 0.000 1.200 136 M CA -0.473 54.904 55.300 0.129 0.000 0.944 136 M CB 2.344 35.030 32.600 0.144 0.000 1.691 136 M HN 0.664 nan 8.290 nan 0.000 0.471 137 N N -0.153 118.700 118.700 0.255 0.000 2.509 137 N HA 0.479 5.219 4.740 0.001 0.000 0.280 137 N C -1.243 174.446 175.510 0.298 0.000 1.306 137 N CA -0.408 52.828 53.050 0.310 0.000 0.782 137 N CB 1.823 40.447 38.487 0.228 0.000 1.493 137 N HN 0.627 nan 8.380 nan 0.000 0.498 138 T N -1.327 113.356 114.554 0.215 0.000 2.901 138 T HA 0.580 4.930 4.350 0.001 0.000 0.301 138 T C 0.606 175.326 174.700 0.033 0.000 1.012 138 T CA -0.235 61.894 62.100 0.048 0.000 1.135 138 T CB 0.404 69.250 68.868 -0.035 0.000 0.936 138 T HN 0.766 nan 8.240 nan 0.000 0.539 139 G N 2.803 111.598 108.800 -0.009 0.000 3.435 139 G HA2 -0.037 3.923 3.960 0.001 0.000 0.683 139 G HA3 -0.037 3.923 3.960 0.001 0.000 0.683 139 G C 0.168 174.857 174.900 -0.351 0.000 1.189 139 G CA -0.244 44.766 45.100 -0.149 0.000 1.069 139 G HN 0.919 nan 8.290 nan 0.000 0.508 140 E N 0.792 120.625 120.200 -0.611 0.000 2.393 140 E HA 0.202 4.553 4.350 0.001 0.000 0.201 140 E C 1.085 177.347 176.600 -0.562 0.000 1.025 140 E CA 1.353 57.157 56.400 -0.994 0.000 0.856 140 E CB 0.132 29.436 29.700 -0.660 0.000 0.771 140 E HN 1.905 nan 8.360 nan 0.000 0.526 141 A N 0.296 122.915 122.820 -0.336 0.000 2.605 141 A HA 0.334 4.654 4.320 0.001 0.000 0.294 141 A C -1.472 176.035 177.584 -0.128 0.000 1.062 141 A CA -0.763 51.158 52.037 -0.193 0.000 0.682 141 A CB 1.184 20.078 19.000 -0.176 0.000 1.278 141 A HN 0.132 nan 8.150 nan 0.000 0.410 142 N N -0.060 118.589 118.700 -0.085 0.000 2.434 142 N HA 0.442 5.182 4.740 0.001 0.000 0.266 142 N C 1.007 176.485 175.510 -0.054 0.000 1.223 142 N CA -0.101 52.848 53.050 -0.169 0.000 0.972 142 N CB 0.755 39.044 38.487 -0.330 0.000 1.207 142 N HN 0.684 nan 8.380 nan 0.000 0.525 143 I N -1.586 118.844 120.570 -0.233 0.000 3.684 143 I HA 0.224 4.394 4.170 0.001 0.000 0.304 143 I C -0.517 175.630 176.117 0.050 0.000 1.278 143 I CA 0.033 61.353 61.300 0.032 0.000 1.272 143 I CB -0.339 37.620 38.000 -0.069 0.000 1.029 143 I HN 0.211 nan 8.210 nan 0.000 0.458 144 F N -0.415 119.522 119.950 -0.022 0.000 2.715 144 F HA 0.675 5.203 4.527 0.001 0.000 0.318 144 F C -0.809 174.924 175.800 -0.112 0.000 1.141 144 F CA -1.918 55.780 58.000 -0.503 0.000 0.950 144 F CB 0.304 39.148 39.000 -0.260 0.000 1.374 144 F HN 0.084 nan 8.300 nan 0.000 0.477 145 W N 0.075 121.632 121.300 0.428 0.000 1.262 145 W HA 0.426 5.087 4.660 0.001 0.000 0.190 145 W C -0.978 175.611 176.519 0.117 0.000 0.745 145 W CA 0.047 57.445 57.345 0.089 0.000 0.841 145 W CB -0.520 28.645 29.460 -0.491 0.000 0.861 145 W HN 0.764 nan 8.180 nan 0.000 0.455 146 N N -0.761 118.027 118.700 0.146 0.000 3.373 146 N HA 0.136 4.877 4.740 0.001 0.000 0.275 146 N C 0.583 176.091 175.510 -0.004 0.000 1.489 146 N CA 0.067 53.201 53.050 0.139 0.000 0.872 146 N CB 0.494 39.160 38.487 0.298 0.000 1.555 146 N HN -0.201 nan 8.380 nan 0.000 0.500 147 S N -0.417 115.291 115.700 0.013 0.000 2.369 147 S HA -0.042 4.429 4.470 0.001 0.000 0.225 147 S C -1.025 173.617 174.600 0.070 0.000 1.043 147 S CA 2.518 60.728 58.200 0.016 0.000 1.074 147 S CB -1.232 62.024 63.200 0.093 0.000 0.962 147 S HN 0.622 nan 8.310 nan 0.000 0.433 148 P HA -0.044 nan 4.420 nan 0.000 0.216 148 P C 2.024 179.378 177.300 0.091 0.000 1.153 148 P CA 1.860 65.028 63.100 0.113 0.000 0.848 148 P CB -0.341 31.450 31.700 0.151 0.000 0.787 149 S N -0.782 114.924 115.700 0.009 0.000 2.419 149 S HA -0.160 4.310 4.470 0.001 0.000 0.233 149 S C 1.868 176.438 174.600 -0.050 0.000 1.016 149 S CA 1.019 59.153 58.200 -0.110 0.000 0.974 149 S CB -1.563 61.068 63.200 -0.949 0.000 0.786 149 S HN -0.005 nan 8.310 nan 0.000 0.492 150 L N 2.043 123.187 121.223 -0.132 0.000 2.005 150 L HA 0.074 4.415 4.340 0.001 0.000 0.207 150 L C 2.362 179.210 176.870 -0.038 0.000 1.072 150 L CA 1.891 56.581 54.840 -0.251 0.000 0.744 150 L CB -1.012 40.792 42.059 -0.425 0.000 0.895 150 L HN 0.273 nan 8.230 nan 0.000 0.433 151 E N -0.486 119.733 120.200 0.031 0.000 2.160 151 E HA -0.248 4.103 4.350 0.001 0.000 0.195 151 E C 1.682 178.278 176.600 -0.007 0.000 0.991 151 E CA 1.225 57.631 56.400 0.009 0.000 0.810 151 E CB -0.191 29.518 29.700 0.015 0.000 0.742 151 E HN 0.524 nan 8.360 nan 0.000 0.466 152 D N -0.309 120.120 120.400 0.047 0.000 2.218 152 D HA -0.142 4.499 4.640 0.001 0.000 0.204 152 D C 1.315 177.602 176.300 -0.022 0.000 0.976 152 D CA 0.710 54.760 54.000 0.083 0.000 0.853 152 D CB -0.043 40.821 40.800 0.106 0.000 0.939 152 D HN 0.145 nan 8.370 nan 0.000 0.481 153 F N 0.463 120.239 119.950 -0.289 0.000 2.446 153 F HA 0.033 4.560 4.527 0.001 0.000 0.292 153 F C 1.940 177.562 175.800 -0.297 0.000 1.096 153 F CA 0.175 57.874 58.000 -0.502 0.000 1.438 153 F CB -0.498 38.361 39.000 -0.236 0.000 1.107 153 F HN -0.255 nan 8.300 nan 0.000 0.546 154 V N 2.926 122.628 119.914 -0.353 0.000 2.277 154 V HA -0.288 3.833 4.120 0.001 0.000 0.253 154 V C -0.204 175.673 176.094 -0.362 0.000 1.067 154 V CA 2.737 64.783 62.300 -0.424 0.000 1.047 154 V CB -1.912 29.721 31.823 -0.316 0.000 0.649 154 V HN 0.306 nan 8.190 nan 0.000 0.447 155 P HA 0.095 nan 4.420 nan 0.000 0.251 155 P C 0.373 177.609 177.300 -0.106 0.000 1.223 155 P CA 0.325 63.331 63.100 -0.157 0.000 0.796 155 P CB -0.020 31.622 31.700 -0.096 0.000 1.068 156 V N 2.554 122.389 119.914 -0.131 0.000 2.486 156 V HA -0.054 4.066 4.120 0.001 0.000 0.290 156 V C 0.854 176.992 176.094 0.074 0.000 0.991 156 V CA 1.068 63.370 62.300 0.003 0.000 1.142 156 V CB -0.692 31.149 31.823 0.031 0.000 0.926 156 V HN 0.156 nan 8.190 nan 0.000 0.472 157 E N 3.000 123.299 120.200 0.166 0.000 2.393 157 E HA 0.378 4.728 4.350 0.001 0.000 0.265 157 E C -0.192 176.646 176.600 0.398 0.000 0.941 157 E CA -0.990 55.565 56.400 0.257 0.000 0.801 157 E CB 1.407 31.198 29.700 0.151 0.000 1.313 157 E HN 0.682 nan 8.360 nan 0.000 0.435 158 E N 0.314 120.811 120.200 0.495 0.000 2.442 158 E HA 0.208 4.558 4.350 0.001 0.000 0.262 158 E C 0.421 177.129 176.600 0.180 0.000 1.004 158 E CA 1.152 57.761 56.400 0.348 0.000 0.928 158 E CB 0.289 30.136 29.700 0.245 0.000 0.937 158 E HN 0.669 nan 8.360 nan 0.000 0.446 159 G N 4.442 113.314 108.800 0.120 0.000 2.466 159 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 159 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 159 G C 0.522 175.469 174.900 0.079 0.000 1.237 159 G CA 0.045 45.215 45.100 0.116 0.000 0.954 159 G HN 0.644 nan 8.290 nan 0.000 0.580 160 D N 0.497 120.905 120.400 0.013 0.000 2.160 160 D HA -0.185 4.455 4.640 0.001 0.000 0.189 160 D C 2.883 179.197 176.300 0.024 0.000 1.003 160 D CA 2.903 56.879 54.000 -0.039 0.000 0.846 160 D CB -0.864 39.919 40.800 -0.029 0.000 0.949 160 D HN 1.029 nan 8.370 nan 0.000 0.446 161 A N 1.458 124.317 122.820 0.065 0.000 1.915 161 A HA -0.246 4.074 4.320 0.001 0.000 0.220 161 A C 2.386 180.068 177.584 0.163 0.000 1.198 161 A CA 3.322 55.416 52.037 0.096 0.000 0.647 161 A CB -0.946 18.104 19.000 0.085 0.000 0.825 161 A HN 0.326 nan 8.150 nan 0.000 0.456 162 A N -0.833 122.106 122.820 0.198 0.000 1.845 162 A HA -0.181 4.140 4.320 0.001 0.000 0.215 162 A C 2.035 179.796 177.584 0.295 0.000 1.195 162 A CA 1.909 54.118 52.037 0.287 0.000 0.616 162 A CB -0.767 18.383 19.000 0.250 0.000 0.832 162 A HN 0.688 nan 8.150 nan 0.000 0.443 163 E N -0.330 119.986 120.200 0.192 0.000 2.086 163 E HA -0.318 4.032 4.350 0.001 0.000 0.205 163 E C 2.041 178.740 176.600 0.166 0.000 1.027 163 E CA 1.858 58.285 56.400 0.044 0.000 0.830 163 E CB -0.236 29.083 29.700 -0.636 0.000 0.751 163 E HN 0.726 nan 8.360 nan 0.000 0.456 164 E N -0.805 119.475 120.200 0.133 0.000 2.038 164 E HA -0.265 4.086 4.350 0.001 0.000 0.195 164 E C 2.033 178.807 176.600 0.291 0.000 1.000 164 E CA 1.550 58.065 56.400 0.193 0.000 0.803 164 E CB -0.347 29.434 29.700 0.136 0.000 0.750 164 E HN 0.425 nan 8.360 nan 0.000 0.448 165 Y N 1.376 121.773 120.300 0.161 0.000 2.049 165 Y HA -0.278 4.272 4.550 0.001 0.000 0.277 165 Y C 2.273 178.302 175.900 0.216 0.000 1.143 165 Y CA 2.235 60.419 58.100 0.141 0.000 1.115 165 Y CB -0.862 37.646 38.460 0.080 0.000 0.975 165 Y HN 0.035 nan 8.280 nan 0.000 0.487 166 V N -1.782 118.170 119.914 0.063 0.000 2.794 166 V HA -0.307 3.813 4.120 0.001 0.000 0.260 166 V C 1.394 177.534 176.094 0.077 0.000 1.103 166 V CA 2.062 64.281 62.300 -0.134 0.000 1.125 166 V CB -1.663 29.959 31.823 -0.334 0.000 0.702 166 V HN 0.570 nan 8.190 nan 0.000 0.494 167 Y N -0.290 120.175 120.300 0.275 0.000 2.485 167 Y HA 0.373 4.923 4.550 0.001 0.000 0.260 167 Y C 2.135 178.204 175.900 0.282 0.000 1.173 167 Y CA -0.196 58.114 58.100 0.350 0.000 1.252 167 Y CB 0.448 39.091 38.460 0.305 0.000 1.123 167 Y HN 0.145 nan 8.280 nan 0.000 0.524 168 K N 0.684 121.301 120.400 0.361 0.000 2.444 168 K HA 0.044 4.364 4.320 0.001 0.000 0.193 168 K C 0.041 176.790 176.600 0.248 0.000 1.024 168 K CA 0.362 56.854 56.287 0.342 0.000 1.077 168 K CB 0.118 32.833 32.500 0.358 0.000 0.833 168 K HN 0.192 nan 8.250 nan 0.000 0.517 169 N N -0.378 118.355 118.700 0.056 0.000 3.134 169 N HA 0.010 4.750 4.740 0.001 0.000 0.235 169 N C -2.792 172.386 175.510 -0.554 0.000 1.092 169 N CA -0.722 52.113 53.050 -0.360 0.000 1.038 169 N CB 1.733 39.834 38.487 -0.643 0.000 1.684 169 N HN -0.286 nan 8.380 nan 0.000 0.551 170 P HA -0.023 nan 4.420 nan 0.000 0.230 170 P C 0.660 177.742 177.300 -0.362 0.000 1.158 170 P CA 1.049 63.562 63.100 -0.977 0.000 0.769 170 P CB 0.095 30.996 31.700 -1.331 0.000 0.807 171 Y N -2.148 118.104 120.300 -0.080 0.000 2.436 171 Y HA -0.028 4.523 4.550 0.001 0.000 0.288 171 Y C 2.432 178.470 175.900 0.231 0.000 1.112 171 Y CA 0.411 58.605 58.100 0.156 0.000 1.220 171 Y CB -0.793 37.718 38.460 0.085 0.000 1.073 171 Y HN -0.201 nan 8.280 nan 0.000 0.552 172 Y N -1.541 118.906 120.300 0.245 0.000 2.298 172 Y HA -0.316 4.234 4.550 0.001 0.000 0.287 172 Y C 2.064 177.974 175.900 0.016 0.000 1.164 172 Y CA 0.828 58.921 58.100 -0.011 0.000 1.229 172 Y CB -1.073 37.086 38.460 -0.502 0.000 0.977 172 Y HN 0.228 nan 8.280 nan 0.000 0.538 173 Y N -1.671 118.708 120.300 0.132 0.000 2.239 173 Y HA -0.127 4.424 4.550 0.001 0.000 0.293 173 Y C 2.415 178.435 175.900 0.199 0.000 1.126 173 Y CA 0.972 59.140 58.100 0.113 0.000 1.128 173 Y CB -1.108 37.361 38.460 0.014 0.000 1.066 173 Y HN 0.069 nan 8.280 nan 0.000 0.516 174 Y N 0.839 121.353 120.300 0.356 0.000 2.574 174 Y HA -0.101 4.450 4.550 0.001 0.000 0.294 174 Y C 1.275 177.319 175.900 0.240 0.000 1.142 174 Y CA 1.340 59.617 58.100 0.297 0.000 1.314 174 Y CB -0.382 38.283 38.460 0.341 0.000 0.991 174 Y HN 0.126 nan 8.280 nan 0.000 0.555 175 N N -0.354 118.427 118.700 0.135 0.000 2.439 175 N HA -0.051 4.690 4.740 0.001 0.000 0.176 175 N C 1.652 177.179 175.510 0.029 0.000 1.029 175 N CA 0.896 53.943 53.050 -0.005 0.000 0.886 175 N CB -0.569 37.982 38.487 0.106 0.000 1.057 175 N HN 0.386 nan 8.380 nan 0.000 0.437 176 L N 0.987 122.278 121.223 0.113 0.000 2.079 176 L HA -0.047 4.294 4.340 0.001 0.000 0.210 176 L C 1.690 178.619 176.870 0.099 0.000 1.081 176 L CA 1.355 56.249 54.840 0.089 0.000 0.752 176 L CB -0.553 41.582 42.059 0.127 0.000 0.896 176 L HN -0.088 nan 8.230 nan 0.000 0.433 177 V N -0.277 119.727 119.914 0.150 0.000 2.343 177 V HA -0.223 3.897 4.120 0.001 0.000 0.247 177 V C 2.639 178.819 176.094 0.145 0.000 1.051 177 V CA 1.785 64.206 62.300 0.201 0.000 1.036 177 V CB -0.662 31.346 31.823 0.308 0.000 0.654 177 V HN 0.459 nan 8.190 nan 0.000 0.451 178 E N 0.085 120.304 120.200 0.032 0.000 2.204 178 E HA -0.156 4.195 4.350 0.001 0.000 0.195 178 E C 2.199 178.758 176.600 -0.068 0.000 0.990 178 E CA 1.450 57.812 56.400 -0.064 0.000 0.821 178 E CB -0.199 29.372 29.700 -0.216 0.000 0.750 178 E HN 0.604 nan 8.360 nan 0.000 0.477 179 A N 0.415 123.215 122.820 -0.034 0.000 2.044 179 A HA 0.109 4.429 4.320 0.001 0.000 0.213 179 A C 1.341 178.925 177.584 -0.001 0.000 1.169 179 A CA -0.084 51.934 52.037 -0.031 0.000 0.724 179 A CB -0.027 18.948 19.000 -0.042 0.000 0.840 179 A HN 0.083 nan 8.150 nan 0.000 0.463 180 L N 1.302 122.547 121.223 0.036 0.000 2.426 180 L HA 0.252 4.592 4.340 0.001 0.000 0.271 180 L C -0.034 176.861 176.870 0.041 0.000 1.169 180 L CA -0.196 54.679 54.840 0.059 0.000 0.836 180 L CB 0.448 42.582 42.059 0.126 0.000 1.112 180 L HN 0.203 nan 8.230 nan 0.000 0.465 181 R N 3.483 124.002 120.500 0.032 0.000 2.507 181 R HA 0.273 4.614 4.340 0.001 0.000 0.298 181 R C -0.802 175.521 176.300 0.037 0.000 1.087 181 R CA -0.608 55.502 56.100 0.015 0.000 0.917 181 R CB 1.488 31.772 30.300 -0.026 0.000 1.173 181 R HN 0.532 nan 8.270 nan 0.000 0.472 182 R N 1.759 122.299 120.500 0.067 0.000 2.210 182 R HA 0.297 4.638 4.340 0.001 0.000 0.338 182 R C -0.225 176.135 176.300 0.100 0.000 1.062 182 R CA 0.221 56.377 56.100 0.093 0.000 0.902 182 R CB 0.606 30.982 30.300 0.127 0.000 1.050 182 R HN 0.782 nan 8.270 nan 0.000 0.461 183 A N 5.189 128.085 122.820 0.126 0.000 2.091 183 A HA -0.127 4.193 4.320 0.001 0.000 0.270 183 A C -2.116 175.579 177.584 0.185 0.000 1.368 183 A CA 0.041 52.226 52.037 0.246 0.000 0.745 183 A CB -1.266 17.886 19.000 0.252 0.000 1.173 183 A HN 0.633 nan 8.150 nan 0.000 0.322 184 P HA 0.298 nan 4.420 nan 0.000 0.277 184 P C 0.574 177.937 177.300 0.105 0.000 1.271 184 P CA -0.189 62.940 63.100 0.048 0.000 0.795 184 P CB 0.600 32.278 31.700 -0.037 0.000 1.101 185 D N -1.403 119.025 120.400 0.046 0.000 2.084 185 D HA -0.040 4.600 4.640 0.001 0.000 0.194 185 D C 0.601 176.972 176.300 0.119 0.000 0.990 185 D CA 1.791 55.824 54.000 0.055 0.000 0.826 185 D CB -0.099 40.696 40.800 -0.007 0.000 0.971 185 D HN 0.409 nan 8.370 nan 0.000 0.453 186 T N -2.531 112.076 114.554 0.088 0.000 2.977 186 T HA 0.155 4.505 4.350 0.001 0.000 0.345 186 T C -0.144 174.602 174.700 0.077 0.000 1.562 186 T CA -0.730 61.432 62.100 0.103 0.000 1.090 186 T CB -0.134 68.879 68.868 0.242 0.000 1.383 186 T HN -0.109 nan 8.240 nan 0.000 0.484 187 F N 2.189 122.158 119.950 0.031 0.000 2.192 187 F HA -0.003 4.524 4.527 0.001 0.000 0.301 187 F C 2.663 178.501 175.800 0.064 0.000 1.079 187 F CA 1.436 59.355 58.000 -0.135 0.000 1.303 187 F CB -0.206 38.233 39.000 -0.935 0.000 1.024 187 F HN 0.712 nan 8.300 nan 0.000 0.494 188 A N -1.955 121.075 122.820 0.350 0.000 2.239 188 A HA -0.104 4.216 4.320 0.001 0.000 0.209 188 A C 1.109 178.696 177.584 0.005 0.000 1.171 188 A CA 0.990 53.192 52.037 0.275 0.000 0.768 188 A CB -0.721 18.415 19.000 0.226 0.000 0.790 188 A HN 0.484 nan 8.150 nan 0.000 0.478 189 H N -1.619 117.553 119.070 0.170 0.000 2.665 189 H HA 0.376 4.933 4.556 0.001 0.000 0.248 189 H C -1.162 174.212 175.328 0.077 0.000 1.175 189 H CA -0.247 55.855 56.048 0.089 0.000 0.952 189 H CB 0.334 30.126 29.762 0.049 0.000 1.883 189 H HN 0.250 nan 8.280 nan 0.000 0.623 190 L N 0.215 121.534 121.223 0.161 0.000 2.313 190 L HA 0.310 4.650 4.340 0.001 0.000 0.268 190 L C -0.456 176.277 176.870 -0.228 0.000 1.010 190 L CA -0.825 53.979 54.840 -0.060 0.000 0.814 190 L CB 1.056 42.947 42.059 -0.279 0.000 1.304 190 L HN -0.009 nan 8.230 nan 0.000 0.441 191 Y N 0.850 120.860 120.300 -0.483 0.000 2.308 191 Y HA 0.507 5.057 4.550 0.001 0.000 0.329 191 Y C -0.839 174.672 175.900 -0.648 0.000 1.111 191 Y CA -0.234 57.604 58.100 -0.436 0.000 1.179 191 Y CB 0.857 39.197 38.460 -0.200 0.000 1.201 191 Y HN 0.286 nan 8.280 nan 0.000 0.483 192 Y N 2.014 122.134 120.300 -0.301 0.000 2.442 192 Y HA 0.524 5.074 4.550 0.001 0.000 0.344 192 Y C -1.341 174.301 175.900 -0.431 0.000 0.976 192 Y CA -1.396 56.557 58.100 -0.244 0.000 1.040 192 Y CB 1.489 39.738 38.460 -0.351 0.000 1.228 192 Y HN 0.423 nan 8.280 nan 0.000 0.451 193 Y N 0.075 120.402 120.300 0.045 0.000 2.425 193 Y HA 0.238 4.789 4.550 0.001 0.000 0.344 193 Y C 1.106 177.052 175.900 0.077 0.000 0.969 193 Y CA -0.865 57.249 58.100 0.022 0.000 1.052 193 Y CB 2.437 40.898 38.460 0.002 0.000 1.215 193 Y HN 0.693 nan 8.280 nan 0.000 0.451 194 S N 0.745 116.593 115.700 0.247 0.000 2.402 194 S HA -0.191 4.279 4.470 0.001 0.000 0.229 194 S C 1.059 175.768 174.600 0.181 0.000 1.021 194 S CA 1.641 59.983 58.200 0.236 0.000 0.974 194 S CB -0.184 63.233 63.200 0.363 0.000 0.800 194 S HN 0.933 nan 8.310 nan 0.000 0.484 195 Q N -0.537 119.362 119.800 0.164 0.000 2.070 195 Q HA -0.234 4.107 4.340 0.001 0.000 0.177 195 Q C 0.375 176.405 176.000 0.051 0.000 2.921 195 Q CA 1.705 57.554 55.803 0.077 0.000 0.206 195 Q CB -2.354 26.420 28.738 0.059 0.000 0.258 195 Q HN 0.784 nan 8.270 nan 0.000 0.373 196 V N 0.744 120.713 119.914 0.091 0.000 2.814 196 V HA 0.140 4.260 4.120 0.001 0.000 0.307 196 V C 0.438 176.590 176.094 0.095 0.000 1.089 196 V CA 0.742 63.106 62.300 0.106 0.000 1.212 196 V CB 0.957 32.845 31.823 0.109 0.000 0.912 196 V HN 0.303 nan 8.190 nan 0.000 0.497 197 T N 7.475 122.114 114.554 0.142 0.000 2.729 197 T HA 0.496 4.846 4.350 0.001 0.000 0.296 197 T C 0.030 174.829 174.700 0.165 0.000 0.928 197 T CA -0.132 62.093 62.100 0.208 0.000 1.045 197 T CB 0.057 69.153 68.868 0.380 0.000 0.902 197 T HN 0.645 nan 8.240 nan 0.000 0.500 198 M N 5.510 125.212 119.600 0.170 0.000 2.578 198 M HA 0.465 4.946 4.480 0.001 0.000 0.321 198 M C -2.414 174.057 176.300 0.284 0.000 1.182 198 M CA -2.635 52.770 55.300 0.175 0.000 0.965 198 M CB 1.713 34.399 32.600 0.143 0.000 1.694 198 M HN 0.224 nan 8.290 nan 0.000 0.461 199 P HA 0.390 nan 4.420 nan 0.000 0.276 199 P C -1.481 175.999 177.300 0.300 0.000 1.252 199 P CA -0.149 63.120 63.100 0.283 0.000 0.802 199 P CB 0.923 32.732 31.700 0.182 0.000 1.035 200 F N 0.876 120.857 119.950 0.052 0.000 2.653 200 F HA 0.383 4.910 4.527 0.001 0.000 0.327 200 F C -0.768 175.084 175.800 0.087 0.000 1.195 200 F CA -0.606 57.445 58.000 0.084 0.000 0.993 200 F CB 1.867 40.880 39.000 0.022 0.000 1.259 200 F HN 0.097 nan 8.300 nan 0.000 0.478 201 K N 5.656 125.910 120.400 -0.243 0.000 2.464 201 K HA 0.732 5.052 4.320 0.001 0.000 0.252 201 K C -0.287 176.129 176.600 -0.307 0.000 1.000 201 K CA -0.683 55.486 56.287 -0.197 0.000 0.951 201 K CB 1.635 34.054 32.500 -0.135 0.000 1.183 201 K HN 0.591 nan 8.250 nan 0.000 0.445 202 A N 2.269 124.981 122.820 -0.180 0.000 2.280 202 A HA 0.144 4.465 4.320 0.001 0.000 0.268 202 A C 0.900 178.429 177.584 -0.091 0.000 1.111 202 A CA -0.187 51.806 52.037 -0.073 0.000 0.814 202 A CB 0.343 19.401 19.000 0.096 0.000 1.093 202 A HN 0.783 nan 8.150 nan 0.000 0.498 203 K N -0.011 120.359 120.400 -0.052 0.000 2.209 203 K HA -0.137 4.183 4.320 0.001 0.000 0.204 203 K C 0.956 177.536 176.600 -0.033 0.000 1.048 203 K CA 1.632 57.887 56.287 -0.054 0.000 0.940 203 K CB -0.071 32.414 32.500 -0.024 0.000 0.729 203 K HN 0.834 nan 8.250 nan 0.000 0.451 204 D N -0.845 119.548 120.400 -0.012 0.000 2.277 204 D HA -0.050 4.590 4.640 0.001 0.000 0.208 204 D C 1.048 177.339 176.300 -0.016 0.000 0.962 204 D CA 0.990 54.986 54.000 -0.007 0.000 0.865 204 D CB 0.103 40.908 40.800 0.008 0.000 0.939 204 D HN 0.235 nan 8.370 nan 0.000 0.510 205 G N 1.083 109.868 108.800 -0.025 0.000 2.207 205 G HA2 -0.234 3.726 3.960 0.001 0.000 0.216 205 G HA3 -0.234 3.726 3.960 0.001 0.000 0.216 205 G C -0.139 174.746 174.900 -0.025 0.000 1.053 205 G CA -0.184 44.897 45.100 -0.032 0.000 0.764 205 G HN 0.340 nan 8.290 nan 0.000 0.495 206 K N -0.436 119.953 120.400 -0.019 0.000 2.118 206 K HA 0.625 4.945 4.320 0.001 0.000 0.254 206 K C 0.566 177.142 176.600 -0.039 0.000 0.961 206 K CA -0.865 55.409 56.287 -0.023 0.000 0.876 206 K CB 2.077 34.569 32.500 -0.013 0.000 1.077 206 K HN 0.034 nan 8.250 nan 0.000 0.440 207 V N 3.600 123.473 119.914 -0.068 0.000 2.455 207 V HA 0.250 4.370 4.120 0.001 0.000 0.273 207 V C 0.194 176.157 176.094 -0.219 0.000 1.045 207 V CA -0.022 62.196 62.300 -0.137 0.000 0.976 207 V CB 0.317 32.061 31.823 -0.131 0.000 0.993 207 V HN 0.694 nan 8.190 nan 0.000 0.475 208 R N 3.209 123.560 120.500 -0.249 0.000 2.836 208 R HA 0.707 5.047 4.340 0.001 0.000 0.269 208 R C -1.722 174.374 176.300 -0.342 0.000 1.010 208 R CA -0.823 55.148 56.100 -0.214 0.000 0.930 208 R CB 2.481 32.860 30.300 0.132 0.000 1.218 208 R HN 0.646 nan 8.270 nan 0.000 0.473 209 Y N -0.566 119.906 120.300 0.287 0.000 2.570 209 Y HA 0.627 5.178 4.550 0.001 0.000 0.345 209 Y C -0.269 175.850 175.900 0.366 0.000 1.014 209 Y CA -0.932 57.373 58.100 0.342 0.000 1.063 209 Y CB 2.061 40.774 38.460 0.422 0.000 1.272 209 Y HN 0.654 nan 8.280 nan 0.000 0.477 210 C N -0.136 119.373 119.300 0.350 0.000 2.891 210 C HA 0.766 5.226 4.460 0.001 0.000 0.342 210 C C -1.040 173.733 174.990 -0.362 0.000 1.126 210 C CA -1.369 57.597 59.018 -0.086 0.000 1.322 210 C CB 1.299 28.773 27.740 -0.442 0.000 1.763 210 C HN 0.943 nan 8.230 nan 0.000 0.491 211 R N 1.430 121.551 120.500 -0.631 0.000 2.474 211 R HA 0.621 4.961 4.340 0.001 0.000 0.295 211 R C -1.094 175.034 176.300 -0.286 0.000 0.980 211 R CA -0.289 55.519 56.100 -0.487 0.000 0.934 211 R CB 1.359 31.302 30.300 -0.595 0.000 1.101 211 R HN 0.788 nan 8.270 nan 0.000 0.469 212 Y N 0.613 120.988 120.300 0.126 0.000 2.458 212 Y HA 0.503 5.053 4.550 0.001 0.000 0.322 212 Y C 0.595 176.552 175.900 0.094 0.000 1.259 212 Y CA -0.691 57.514 58.100 0.175 0.000 1.302 212 Y CB 1.225 39.717 38.460 0.053 0.000 1.314 212 Y HN 0.363 nan 8.280 nan 0.000 0.509 213 R N 0.584 121.057 120.500 -0.045 0.000 2.707 213 R HA 0.842 5.183 4.340 0.001 0.000 0.272 213 R C -2.154 173.790 176.300 -0.594 0.000 1.011 213 R CA -0.811 54.867 56.100 -0.703 0.000 0.893 213 R CB 1.746 31.055 30.300 -1.651 0.000 1.233 213 R HN 0.804 nan 8.270 nan 0.000 0.464 214 A N 4.555 126.924 122.820 -0.751 0.000 2.398 214 A HA 0.656 4.976 4.320 0.001 0.000 0.301 214 A C -1.330 175.857 177.584 -0.662 0.000 1.041 214 A CA -0.806 50.766 52.037 -0.775 0.000 0.711 214 A CB 1.028 19.124 19.000 -1.507 0.000 1.240 214 A HN 0.649 nan 8.150 nan 0.000 0.420 215 L N 0.209 121.099 121.223 -0.556 0.000 2.393 215 L HA 0.839 5.180 4.340 0.001 0.000 0.260 215 L C -2.808 173.907 176.870 -0.258 0.000 1.002 215 L CA -2.619 51.848 54.840 -0.623 0.000 0.818 215 L CB 2.322 43.698 42.059 -1.139 0.000 1.369 215 L HN 0.325 nan 8.230 nan 0.000 0.412 216 P HA 0.077 nan 4.420 nan 0.000 0.266 216 P C 0.064 177.252 177.300 -0.187 0.000 1.215 216 P CA 0.321 63.295 63.100 -0.210 0.000 0.763 216 P CB 1.160 32.648 31.700 -0.353 0.000 0.806 217 G N 2.863 111.576 108.800 -0.144 0.000 3.048 217 G HA2 0.001 3.961 3.960 0.001 0.000 0.151 217 G HA3 0.001 3.961 3.960 0.001 0.000 0.151 217 G C 0.349 175.191 174.900 -0.097 0.000 1.803 217 G CA 0.741 45.786 45.100 -0.091 0.000 1.047 217 G HN 0.497 nan 8.290 nan 0.000 0.513 218 D N -2.174 118.186 120.400 -0.067 0.000 4.541 218 D HA -0.251 4.389 4.640 0.001 0.000 0.209 218 D C 0.972 177.263 176.300 -0.015 0.000 0.584 218 D CA 2.316 56.285 54.000 -0.052 0.000 1.297 218 D CB -1.005 39.739 40.800 -0.095 0.000 0.807 218 D HN 0.416 nan 8.370 nan 0.000 0.433 219 V N -0.729 119.189 119.914 0.006 0.000 3.553 219 V HA 0.501 4.622 4.120 0.001 0.000 0.287 219 V C -0.752 175.372 176.094 0.049 0.000 1.111 219 V CA 0.260 62.594 62.300 0.056 0.000 0.950 219 V CB 1.677 33.573 31.823 0.122 0.000 1.243 219 V HN 0.497 nan 8.190 nan 0.000 0.443 220 D N 0.301 120.745 120.400 0.073 0.000 2.788 220 D HA 0.456 5.096 4.640 0.001 0.000 0.247 220 D C -1.470 174.882 176.300 0.087 0.000 1.236 220 D CA -0.285 53.751 54.000 0.060 0.000 0.898 220 D CB 1.099 41.923 40.800 0.040 0.000 1.401 220 D HN 0.225 nan 8.370 nan 0.000 0.549 221 I N 3.356 123.996 120.570 0.116 0.000 2.436 221 I HA 0.244 4.415 4.170 0.001 0.000 0.289 221 I C 0.363 176.585 176.117 0.176 0.000 1.010 221 I CA -0.704 60.683 61.300 0.145 0.000 1.098 221 I CB 1.819 39.944 38.000 0.209 0.000 1.266 221 I HN 0.403 nan 8.210 nan 0.000 0.434 222 K N 6.288 126.738 120.400 0.082 0.000 3.006 222 K HA 0.107 4.428 4.320 0.001 0.000 0.262 222 K C 0.445 177.000 176.600 -0.075 0.000 1.289 222 K CA -0.040 56.273 56.287 0.043 0.000 1.245 222 K CB 0.329 32.840 32.500 0.019 0.000 1.614 222 K HN 0.523 nan 8.250 nan 0.000 0.322 223 E N 0.283 120.356 120.200 -0.212 0.000 3.437 223 E HA -0.393 3.958 4.350 0.001 0.000 0.407 223 E C 1.195 177.524 176.600 -0.453 0.000 1.489 223 E CA 2.342 58.323 56.400 -0.698 0.000 1.375 223 E CB -0.730 28.620 29.700 -0.582 0.000 1.472 223 E HN 0.513 nan 8.360 nan 0.000 0.418 224 E N 1.587 121.567 120.200 -0.367 0.000 2.149 224 E HA -0.218 4.132 4.350 0.001 0.000 0.215 224 E C 1.363 177.758 176.600 -0.341 0.000 1.055 224 E CA 2.051 58.216 56.400 -0.392 0.000 0.870 224 E CB -0.307 29.296 29.700 -0.161 0.000 0.764 224 E HN 0.360 nan 8.360 nan 0.000 0.463 225 D N 1.022 121.314 120.400 -0.181 0.000 2.389 225 D HA -0.101 4.539 4.640 0.001 0.000 0.250 225 D C -0.002 176.226 176.300 -0.120 0.000 1.136 225 D CA 0.458 54.389 54.000 -0.114 0.000 0.945 225 D CB -0.390 40.381 40.800 -0.049 0.000 0.890 225 D HN 0.371 nan 8.370 nan 0.000 0.525 226 E N 1.391 121.476 120.200 -0.192 0.000 2.152 226 E HA 0.139 4.489 4.350 0.001 0.000 0.285 226 E C -0.092 176.413 176.600 -0.158 0.000 1.043 226 E CA -0.526 55.788 56.400 -0.143 0.000 0.839 226 E CB 0.724 30.316 29.700 -0.180 0.000 1.069 226 E HN -0.054 nan 8.360 nan 0.000 0.399 227 S N 3.161 118.807 115.700 -0.089 0.000 2.558 227 S HA 0.362 4.832 4.470 0.001 0.000 0.288 227 S C 1.067 175.629 174.600 -0.063 0.000 1.318 227 S CA 0.225 58.385 58.200 -0.068 0.000 1.056 227 S CB 1.161 64.336 63.200 -0.041 0.000 0.853 227 S HN 0.951 nan 8.310 nan 0.000 0.505 228 G N 2.897 111.676 108.800 -0.035 0.000 2.561 228 G HA2 -0.206 3.755 3.960 0.001 0.000 0.203 228 G HA3 -0.206 3.755 3.960 0.001 0.000 0.203 228 G C 0.007 174.919 174.900 0.021 0.000 1.101 228 G CA -0.392 44.704 45.100 -0.006 0.000 0.711 228 G HN 0.873 nan 8.290 nan 0.000 0.511 229 R N 1.239 121.720 120.500 -0.033 0.000 2.474 229 R HA 0.189 4.529 4.340 0.001 0.000 0.290 229 R C 0.242 176.692 176.300 0.250 0.000 0.918 229 R CA 0.266 56.402 56.100 0.061 0.000 1.130 229 R CB -0.059 30.103 30.300 -0.230 0.000 0.881 229 R HN 0.410 nan 8.270 nan 0.000 0.416 230 L N 2.609 123.999 121.223 0.277 0.000 2.456 230 L HA 0.075 4.416 4.340 0.001 0.000 0.272 230 L C 1.530 178.552 176.870 0.253 0.000 1.189 230 L CA -0.038 54.937 54.840 0.224 0.000 0.846 230 L CB 0.169 42.328 42.059 0.168 0.000 1.111 230 L HN 0.684 nan 8.230 nan 0.000 0.475 231 T N -1.529 113.110 114.554 0.141 0.000 3.141 231 T HA 0.009 4.360 4.350 0.001 0.000 0.391 231 T C 0.988 175.646 174.700 -0.071 0.000 1.170 231 T CA 0.195 62.324 62.100 0.048 0.000 1.054 231 T CB 0.316 69.184 68.868 -0.001 0.000 1.487 231 T HN 0.742 nan 8.240 nan 0.000 0.530 232 E N 0.053 120.138 120.200 -0.192 0.000 2.028 232 E HA -0.153 4.198 4.350 0.001 0.000 0.190 232 E C 2.265 178.756 176.600 -0.182 0.000 0.984 232 E CA 0.763 56.976 56.400 -0.313 0.000 0.800 232 E CB -0.138 29.212 29.700 -0.582 0.000 0.758 232 E HN 0.760 nan 8.360 nan 0.000 0.448 233 E N 0.605 120.719 120.200 -0.143 0.000 2.085 233 E HA -0.251 4.099 4.350 0.001 0.000 0.194 233 E C 1.744 178.297 176.600 -0.078 0.000 0.994 233 E CA 1.324 57.668 56.400 -0.094 0.000 0.801 233 E CB 0.031 29.689 29.700 -0.070 0.000 0.743 233 E HN 0.328 nan 8.360 nan 0.000 0.453 234 E N -0.141 120.031 120.200 -0.047 0.000 2.208 234 E HA -0.148 4.202 4.350 0.001 0.000 0.193 234 E C 2.247 178.807 176.600 -0.066 0.000 0.988 234 E CA 0.572 56.952 56.400 -0.034 0.000 0.828 234 E CB 0.082 29.811 29.700 0.049 0.000 0.763 234 E HN 0.349 nan 8.360 nan 0.000 0.478 235 Q N 0.200 119.988 119.800 -0.020 0.000 2.062 235 Q HA -0.052 4.289 4.340 0.001 0.000 0.196 235 Q C 2.219 178.234 176.000 0.024 0.000 0.967 235 Q CA 0.589 56.423 55.803 0.052 0.000 0.832 235 Q CB 0.080 28.888 28.738 0.118 0.000 0.899 235 Q HN 0.142 nan 8.270 nan 0.000 0.442 236 R N 1.058 121.543 120.500 -0.026 0.000 2.103 236 R HA -0.128 4.213 4.340 0.001 0.000 0.242 236 R C 1.044 177.114 176.300 -0.383 0.000 1.142 236 R CA 1.076 57.153 56.100 -0.040 0.000 0.960 236 R CB -0.329 29.965 30.300 -0.010 0.000 0.858 236 R HN -0.062 nan 8.270 nan 0.000 0.439 237 K N 1.328 121.435 120.400 -0.488 0.000 2.765 237 K HA 0.167 4.487 4.320 0.001 0.000 0.246 237 K C 1.090 177.142 176.600 -0.913 0.000 1.254 237 K CA -0.122 55.618 56.287 -0.910 0.000 1.219 237 K CB -0.294 31.941 32.500 -0.442 0.000 1.747 237 K HN 0.045 nan 8.250 nan 0.000 0.372 238 I N 0.423 120.399 120.570 -0.991 0.000 2.353 238 I HA -0.175 3.995 4.170 0.001 0.000 0.248 238 I C 1.042 176.758 176.117 -0.668 0.000 1.119 238 I CA 1.041 62.000 61.300 -0.568 0.000 1.417 238 I CB 0.155 37.924 38.000 -0.385 0.000 1.078 238 I HN 0.626 nan 8.210 nan 0.000 0.421 239 W N 0.864 121.956 121.300 -0.346 0.000 2.424 239 W HA -0.026 4.634 4.660 0.001 0.000 0.264 239 W C 0.691 176.835 176.519 -0.626 0.000 1.229 239 W CA -0.341 56.715 57.345 -0.482 0.000 1.208 239 W CB -1.042 28.309 29.460 -0.182 0.000 1.127 239 W HN -0.164 nan 8.180 nan 0.000 0.588 240 I N 1.617 121.882 120.570 -0.508 0.000 2.379 240 I HA 0.047 4.218 4.170 0.001 0.000 0.290 240 I C 0.230 176.111 176.117 -0.394 0.000 1.063 240 I CA -0.713 60.375 61.300 -0.352 0.000 1.351 240 I CB -0.548 37.306 38.000 -0.243 0.000 1.410 240 I HN 0.090 nan 8.210 nan 0.000 0.505 241 F N 2.778 122.646 119.950 -0.138 0.000 2.727 241 F HA 0.006 4.533 4.527 0.001 0.000 0.302 241 F C 1.759 177.376 175.800 -0.304 0.000 1.107 241 F CA -0.354 57.518 58.000 -0.213 0.000 1.277 241 F CB 0.430 39.261 39.000 -0.283 0.000 1.079 241 F HN 0.468 nan 8.300 nan 0.000 0.594 242 S N 1.119 116.746 115.700 -0.121 0.000 2.634 242 S HA 0.233 4.703 4.470 0.001 0.000 0.254 242 S C 0.942 175.434 174.600 -0.180 0.000 1.299 242 S CA -0.792 57.312 58.200 -0.160 0.000 0.974 242 S CB 0.723 63.849 63.200 -0.123 0.000 1.001 242 S HN 0.178 nan 8.310 nan 0.000 0.584 243 R N 0.571 120.990 120.500 -0.136 0.000 0.587 243 R HA 0.352 4.692 4.340 0.001 0.000 0.048 243 R C -0.002 176.131 176.300 -0.278 0.000 0.448 243 R CA 0.370 56.402 56.100 -0.113 0.000 2.164 243 R CB -0.550 29.749 30.300 -0.002 0.000 0.482 243 R HN 0.800 nan 8.270 nan 0.000 0.806 244 H N -1.199 117.877 119.070 0.009 0.000 3.068 244 H HA 0.072 4.629 4.556 0.001 0.000 0.342 244 H C 0.050 175.381 175.328 0.003 0.000 1.284 244 H CA -0.599 55.451 56.048 0.003 0.000 1.181 244 H CB 1.915 31.677 29.762 0.000 0.000 1.898 244 H HN 0.376 nan 8.280 nan 0.000 0.540 245 E N 1.023 121.323 120.200 0.167 0.000 2.130 245 E HA -0.148 4.202 4.350 0.001 0.000 0.196 245 E C 0.190 176.828 176.600 0.063 0.000 0.998 245 E CA 1.135 57.586 56.400 0.085 0.000 0.806 245 E CB -0.097 29.643 29.700 0.066 0.000 0.738 245 E HN 0.500 nan 8.360 nan 0.000 0.459 246 N N 0.411 119.148 118.700 0.062 0.000 2.800 246 N HA 0.208 4.949 4.740 0.001 0.000 0.240 246 N C -1.074 174.456 175.510 0.033 0.000 1.096 246 N CA -0.087 52.980 53.050 0.027 0.000 0.877 246 N CB 1.053 39.537 38.487 -0.005 0.000 1.138 246 N HN -0.050 nan 8.380 nan 0.000 0.509 247 E N 1.181 121.410 120.200 0.048 0.000 2.762 247 E HA 0.074 4.424 4.350 0.001 0.000 0.384 247 E C -0.909 175.715 176.600 0.041 0.000 1.086 247 E CA -0.221 56.202 56.400 0.039 0.000 0.769 247 E CB 0.306 30.052 29.700 0.076 0.000 1.560 247 E HN 0.129 nan 8.360 nan 0.000 0.384 248 K N 2.048 122.463 120.400 0.024 0.000 3.100 248 K HA 0.207 4.528 4.320 0.001 0.000 0.256 248 K C 0.129 176.746 176.600 0.028 0.000 1.146 248 K CA -0.137 56.167 56.287 0.030 0.000 1.233 248 K CB -0.161 32.353 32.500 0.023 0.000 1.226 248 K HN 0.312 nan 8.250 nan 0.000 0.442 249 R N 1.478 121.995 120.500 0.029 0.000 2.490 249 R HA 0.177 4.517 4.340 0.001 0.000 0.278 249 R C -2.131 174.236 176.300 0.112 0.000 1.069 249 R CA -1.545 54.573 56.100 0.030 0.000 1.080 249 R CB 0.436 30.699 30.300 -0.062 0.000 1.030 249 R HN -0.027 nan 8.270 nan 0.000 0.491 250 P HA -0.014 nan 4.420 nan 0.000 0.269 250 P C -0.405 177.003 177.300 0.179 0.000 1.217 250 P CA 0.070 63.257 63.100 0.145 0.000 0.783 250 P CB 0.562 32.345 31.700 0.138 0.000 0.898 251 D N 0.062 120.532 120.400 0.116 0.000 2.123 251 D HA -0.163 4.477 4.640 0.001 0.000 0.196 251 D C 0.514 176.845 176.300 0.053 0.000 0.992 251 D CA 1.542 55.592 54.000 0.084 0.000 0.833 251 D CB -0.216 40.624 40.800 0.067 0.000 0.954 251 D HN 0.537 nan 8.370 nan 0.000 0.455 252 D N -0.257 120.187 120.400 0.072 0.000 2.755 252 D HA -0.036 4.604 4.640 0.001 0.000 0.257 252 D C 0.968 177.314 176.300 0.076 0.000 1.291 252 D CA -0.498 53.532 54.000 0.050 0.000 0.836 252 D CB -0.879 39.967 40.800 0.076 0.000 1.059 252 D HN 0.384 nan 8.370 nan 0.000 0.486 253 Y N -0.327 120.013 120.300 0.067 0.000 2.242 253 Y HA -0.009 4.541 4.550 0.001 0.000 0.291 253 Y C 1.480 177.421 175.900 0.068 0.000 1.137 253 Y CA 0.533 58.667 58.100 0.056 0.000 1.181 253 Y CB -0.493 37.985 38.460 0.031 0.000 0.989 253 Y HN 0.097 nan 8.280 nan 0.000 0.527 254 L N 0.456 121.376 121.223 -0.504 0.000 2.270 254 L HA 0.115 4.455 4.340 0.001 0.000 0.210 254 L C 2.332 179.297 176.870 0.159 0.000 1.104 254 L CA 1.152 55.786 54.840 -0.344 0.000 0.804 254 L CB -0.488 41.075 42.059 -0.828 0.000 0.937 254 L HN 0.129 nan 8.230 nan 0.000 0.450 255 R N -0.823 119.802 120.500 0.208 0.000 2.052 255 R HA -0.001 4.339 4.340 0.001 0.000 0.224 255 R C 1.942 178.400 176.300 0.264 0.000 1.149 255 R CA 0.863 57.153 56.100 0.316 0.000 0.962 255 R CB -0.242 30.181 30.300 0.206 0.000 0.856 255 R HN 0.119 nan 8.270 nan 0.000 0.433 256 K N 0.743 121.253 120.400 0.184 0.000 2.574 256 K HA -0.113 4.207 4.320 0.001 0.000 0.193 256 K C 1.708 178.406 176.600 0.163 0.000 1.035 256 K CA 0.582 56.962 56.287 0.156 0.000 0.982 256 K CB 0.201 32.775 32.500 0.123 0.000 0.795 256 K HN 0.201 nan 8.250 nan 0.000 0.491 257 E N -0.052 120.273 120.200 0.208 0.000 2.127 257 E HA -0.114 4.236 4.350 0.001 0.000 0.191 257 E C 1.100 177.822 176.600 0.204 0.000 0.964 257 E CA 0.478 56.993 56.400 0.192 0.000 0.832 257 E CB -0.011 29.820 29.700 0.218 0.000 0.790 257 E HN 0.278 nan 8.360 nan 0.000 0.465 258 Y N 1.014 121.425 120.300 0.185 0.000 2.680 258 Y HA -0.066 4.485 4.550 0.001 0.000 0.303 258 Y C 1.623 177.604 175.900 0.134 0.000 1.166 258 Y CA 0.457 58.675 58.100 0.196 0.000 1.344 258 Y CB 0.168 38.805 38.460 0.294 0.000 1.002 258 Y HN -0.099 nan 8.280 nan 0.000 0.537 259 V N -0.848 119.143 119.914 0.127 0.000 2.825 259 V HA -0.123 3.998 4.120 0.001 0.000 0.246 259 V C 1.662 177.752 176.094 -0.007 0.000 1.068 259 V CA 1.583 63.918 62.300 0.058 0.000 1.088 259 V CB 0.063 31.939 31.823 0.089 0.000 0.733 259 V HN 0.275 nan 8.190 nan 0.000 0.468 260 E N -0.176 120.028 120.200 0.006 0.000 2.250 260 E HA -0.042 4.308 4.350 0.001 0.000 0.192 260 E C 2.265 178.843 176.600 -0.037 0.000 0.986 260 E CA 0.160 56.558 56.400 -0.002 0.000 0.849 260 E CB 0.044 29.761 29.700 0.028 0.000 0.797 260 E HN 0.340 nan 8.360 nan 0.000 0.482 261 R N 0.334 120.785 120.500 -0.082 0.000 2.189 261 R HA -0.064 4.277 4.340 0.001 0.000 0.218 261 R C 1.275 177.493 176.300 -0.136 0.000 1.074 261 R CA 0.564 56.600 56.100 -0.107 0.000 0.991 261 R CB 0.158 30.379 30.300 -0.131 0.000 0.883 261 R HN 0.075 nan 8.270 nan 0.000 0.457 262 L N 0.679 121.803 121.223 -0.165 0.000 2.509 262 L HA -0.038 4.302 4.340 0.001 0.000 0.222 262 L C 2.058 178.889 176.870 -0.065 0.000 1.123 262 L CA 1.132 55.894 54.840 -0.130 0.000 0.856 262 L CB 0.062 42.032 42.059 -0.148 0.000 0.985 262 L HN 0.260 nan 8.230 nan 0.000 0.456 263 Q N -1.254 118.516 119.800 -0.049 0.000 2.317 263 Q HA -0.008 4.333 4.340 0.001 0.000 0.220 263 Q C 1.607 177.594 176.000 -0.022 0.000 0.873 263 Q CA 0.221 56.008 55.803 -0.027 0.000 0.936 263 Q CB 0.020 28.749 28.738 -0.015 0.000 1.105 263 Q HN 0.327 nan 8.270 nan 0.000 0.520 264 K N 0.544 120.928 120.400 -0.027 0.000 2.374 264 K HA 0.257 4.577 4.320 0.001 0.000 0.196 264 K C -0.180 176.406 176.600 -0.022 0.000 1.023 264 K CA 0.587 56.863 56.287 -0.019 0.000 1.103 264 K CB 0.592 33.084 32.500 -0.013 0.000 0.848 264 K HN 0.343 nan 8.250 nan 0.000 0.528 265 G N 1.075 109.856 108.800 -0.032 0.000 2.356 265 G HA2 0.021 3.981 3.960 0.001 0.000 0.288 265 G HA3 0.021 3.981 3.960 0.001 0.000 0.288 265 G C -3.288 171.587 174.900 -0.042 0.000 1.302 265 G CA -1.064 44.018 45.100 -0.030 0.000 0.887 265 G HN -0.089 nan 8.290 nan 0.000 0.521 266 P HA 0.521 nan 4.420 nan 0.000 0.296 266 P C -0.211 177.054 177.300 -0.059 0.000 1.306 266 P CA -0.479 62.600 63.100 -0.035 0.000 0.818 266 P CB 1.759 33.452 31.700 -0.012 0.000 0.969 267 V N 4.803 124.674 119.914 -0.073 0.000 2.455 267 V HA 0.190 4.310 4.120 0.001 0.000 0.273 267 V C 0.379 176.375 176.094 -0.163 0.000 1.045 267 V CA 0.084 62.304 62.300 -0.132 0.000 0.976 267 V CB -0.214 31.553 31.823 -0.093 0.000 0.993 267 V HN 0.521 nan 8.190 nan 0.000 0.475 268 N N 3.819 122.340 118.700 -0.299 0.000 2.321 268 N HA 0.636 5.376 4.740 0.001 0.000 0.299 268 N C -1.182 174.087 175.510 -0.401 0.000 1.048 268 N CA -0.429 52.493 53.050 -0.213 0.000 0.836 268 N CB 1.969 40.405 38.487 -0.085 0.000 1.269 268 N HN 0.519 nan 8.380 nan 0.000 0.486 269 Y N -0.310 120.015 120.300 0.043 0.000 2.570 269 Y HA 0.540 5.090 4.550 0.001 0.000 0.345 269 Y C 0.611 176.502 175.900 -0.015 0.000 1.014 269 Y CA -0.985 57.118 58.100 0.006 0.000 1.063 269 Y CB 1.492 40.002 38.460 0.083 0.000 1.272 269 Y HN 0.127 nan 8.280 nan 0.000 0.477 270 R N 0.893 121.441 120.500 0.081 0.000 2.549 270 R HA 0.689 5.030 4.340 0.001 0.000 0.267 270 R C -1.604 174.691 176.300 -0.007 0.000 1.045 270 R CA -1.011 55.105 56.100 0.028 0.000 1.115 270 R CB 1.013 31.287 30.300 -0.043 0.000 1.121 270 R HN 0.506 nan 8.270 nan 0.000 0.543 271 L N 1.317 122.551 121.223 0.020 0.000 2.404 271 L HA 0.357 4.697 4.340 0.001 0.000 0.272 271 L C -1.220 175.665 176.870 0.026 0.000 0.980 271 L CA -0.275 54.560 54.840 -0.009 0.000 0.836 271 L CB 1.771 43.877 42.059 0.078 0.000 1.238 271 L HN 0.514 nan 8.230 nan 0.000 0.408 272 Q N 3.337 123.119 119.800 -0.030 0.000 2.195 272 Q HA 0.760 5.101 4.340 0.001 0.000 0.250 272 Q C -1.303 174.892 176.000 0.325 0.000 0.988 272 Q CA -0.358 55.526 55.803 0.135 0.000 0.911 272 Q CB 2.535 31.293 28.738 0.032 0.000 1.258 272 Q HN 0.718 nan 8.270 nan 0.000 0.475 273 I N 1.043 121.876 120.570 0.438 0.000 2.627 273 I HA 0.244 4.415 4.170 0.001 0.000 0.288 273 I C -1.730 174.408 176.117 0.036 0.000 1.202 273 I CA -0.469 60.927 61.300 0.160 0.000 1.050 273 I CB 1.431 39.267 38.000 -0.274 0.000 1.264 273 I HN 0.712 nan 8.210 nan 0.000 0.429 274 Q N 8.199 127.718 119.800 -0.468 0.000 2.266 274 Q HA 0.704 5.045 4.340 0.001 0.000 0.261 274 Q C -1.081 174.782 176.000 -0.227 0.000 0.985 274 Q CA -0.864 54.636 55.803 -0.504 0.000 0.873 274 Q CB 2.799 30.813 28.738 -1.207 0.000 1.306 274 Q HN 0.617 nan 8.270 nan 0.000 0.447 275 I N -0.570 120.059 120.570 0.098 0.000 2.533 275 I HA 0.434 4.605 4.170 0.001 0.000 0.290 275 I C -1.569 174.840 176.117 0.487 0.000 1.056 275 I CA -0.908 60.525 61.300 0.221 0.000 1.057 275 I CB 1.673 39.563 38.000 -0.183 0.000 1.240 275 I HN 0.874 nan 8.210 nan 0.000 0.423 276 H N 4.221 123.559 119.070 0.446 0.000 2.782 276 H HA 0.345 4.902 4.556 0.001 0.000 0.285 276 H C -0.256 175.141 175.328 0.115 0.000 1.093 276 H CA 0.034 56.189 56.048 0.179 0.000 1.410 276 H CB 0.696 30.264 29.762 -0.323 0.000 1.439 276 H HN 0.751 nan 8.280 nan 0.000 0.469 277 E N 3.967 124.000 120.200 -0.279 0.000 2.498 277 E HA 0.224 4.574 4.350 0.001 0.000 0.252 277 E C -0.665 175.542 176.600 -0.655 0.000 1.025 277 E CA 0.001 56.203 56.400 -0.329 0.000 0.938 277 E CB 0.098 29.675 29.700 -0.206 0.000 0.947 277 E HN 0.703 nan 8.360 nan 0.000 0.478 278 A N 4.214 126.806 122.820 -0.380 0.000 2.388 278 A HA 0.469 4.790 4.320 0.001 0.000 0.257 278 A C -0.083 177.439 177.584 -0.103 0.000 1.095 278 A CA -0.131 51.789 52.037 -0.196 0.000 0.791 278 A CB 0.957 19.935 19.000 -0.037 0.000 1.029 278 A HN 0.549 nan 8.150 nan 0.000 0.489 279 S N 1.661 117.361 115.700 -0.000 0.000 2.549 279 S HA 0.665 5.135 4.470 0.001 0.000 0.280 279 S C -2.216 172.414 174.600 0.050 0.000 1.109 279 S CA -1.238 56.969 58.200 0.011 0.000 0.905 279 S CB 1.615 64.813 63.200 -0.003 0.000 1.081 279 S HN 0.470 nan 8.310 nan 0.000 0.477 280 P HA 0.004 nan 4.420 nan 0.000 0.231 280 P C -0.143 177.174 177.300 0.028 0.000 1.154 280 P CA 0.900 64.020 63.100 0.034 0.000 0.762 280 P CB -0.035 31.678 31.700 0.022 0.000 0.790 281 D N -0.649 119.768 120.400 0.028 0.000 2.368 281 D HA 0.061 4.701 4.640 0.001 0.000 0.218 281 D C -0.057 176.250 176.300 0.010 0.000 1.112 281 D CA 0.176 54.187 54.000 0.017 0.000 0.834 281 D CB -0.012 40.797 40.800 0.015 0.000 0.953 281 D HN 0.118 nan 8.370 nan 0.000 0.505 282 D N 0.676 121.088 120.400 0.020 0.000 2.225 282 D HA 0.159 4.799 4.640 0.001 0.000 0.248 282 D C 0.693 176.936 176.300 -0.095 0.000 1.096 282 D CA 0.000 53.987 54.000 -0.022 0.000 0.863 282 D CB 1.494 42.329 40.800 0.058 0.000 1.156 282 D HN -0.003 nan 8.370 nan 0.000 0.450 283 T N -1.945 112.509 114.554 -0.166 0.000 2.934 283 T HA 0.484 4.834 4.350 0.001 0.000 0.283 283 T C 1.299 175.774 174.700 -0.374 0.000 1.005 283 T CA -0.868 61.119 62.100 -0.189 0.000 1.041 283 T CB 1.652 70.444 68.868 -0.126 0.000 1.042 283 T HN 0.237 nan 8.240 nan 0.000 0.505 284 A N 1.218 123.842 122.820 -0.328 0.000 2.245 284 A HA -0.032 4.288 4.320 0.001 0.000 0.217 284 A C 2.232 179.615 177.584 -0.335 0.000 1.171 284 A CA 1.688 53.445 52.037 -0.467 0.000 0.688 284 A CB -1.717 17.184 19.000 -0.165 0.000 0.781 284 A HN 0.953 nan 8.150 nan 0.000 0.479 285 T N 1.028 115.440 114.554 -0.237 0.000 2.649 285 T HA -0.250 4.100 4.350 0.001 0.000 0.268 285 T C 1.610 176.111 174.700 -0.331 0.000 1.036 285 T CA 1.992 63.979 62.100 -0.189 0.000 1.157 285 T CB -0.627 68.099 68.868 -0.237 0.000 0.861 285 T HN 0.652 nan 8.240 nan 0.000 0.445 286 I N 0.044 120.239 120.570 -0.625 0.000 2.530 286 I HA -0.106 4.064 4.170 0.001 0.000 0.257 286 I C 1.460 177.456 176.117 -0.200 0.000 1.179 286 I CA 1.375 62.266 61.300 -0.681 0.000 1.440 286 I CB -0.709 36.693 38.000 -0.996 0.000 1.087 286 I HN 0.258 nan 8.210 nan 0.000 0.440 287 F N -0.785 119.135 119.950 -0.050 0.000 2.732 287 F HA 0.168 4.695 4.527 0.000 0.000 0.303 287 F C 1.081 176.906 175.800 0.041 0.000 1.110 287 F CA -0.561 57.464 58.000 0.041 0.000 1.355 287 F CB -0.508 38.530 39.000 0.064 0.000 1.081 287 F HN 0.044 nan 8.300 nan 0.000 0.565 288 H N 0.634 119.641 119.070 -0.105 0.000 2.742 288 H HA 0.344 4.900 4.556 0.001 0.000 0.302 288 H C 0.996 176.192 175.328 -0.220 0.000 1.069 288 H CA -0.252 55.511 56.048 -0.475 0.000 1.446 288 H CB 1.404 30.676 29.762 -0.816 0.000 1.462 288 H HN 0.198 nan 8.280 nan 0.000 0.499 289 A N 3.399 126.299 122.820 0.134 0.000 2.235 289 A HA 0.037 4.357 4.320 0.001 0.000 0.208 289 A C 2.017 179.681 177.584 0.133 0.000 1.172 289 A CA 0.923 53.056 52.037 0.160 0.000 0.786 289 A CB -0.112 19.003 19.000 0.193 0.000 0.804 289 A HN 0.847 nan 8.150 nan 0.000 0.479 290 G N -1.048 107.822 108.800 0.116 0.000 2.939 290 G HA2 0.350 4.310 3.960 0.001 0.000 0.216 290 G HA3 0.350 4.310 3.960 0.001 0.000 0.216 290 G C 0.255 174.753 174.900 -0.670 0.000 1.125 290 G CA -0.025 44.882 45.100 -0.320 0.000 0.766 290 G HN 0.276 nan 8.290 nan 0.000 0.541 291 I N 2.763 122.963 120.570 -0.616 0.000 2.330 291 I HA 0.325 4.495 4.170 0.001 0.000 0.286 291 I C -0.087 175.930 176.117 -0.166 0.000 1.025 291 I CA -1.445 59.555 61.300 -0.501 0.000 1.197 291 I CB 0.977 38.575 38.000 -0.670 0.000 1.358 291 I HN -0.164 nan 8.210 nan 0.000 0.467 292 L N 4.756 125.921 121.223 -0.097 0.000 2.543 292 L HA -0.059 4.282 4.340 0.001 0.000 0.285 292 L C -0.180 176.756 176.870 0.110 0.000 1.236 292 L CA 0.562 55.394 54.840 -0.014 0.000 0.871 292 L CB 0.074 42.133 42.059 -0.001 0.000 1.121 292 L HN 0.482 nan 8.230 nan 0.000 0.501 293 W N 2.622 123.798 121.300 -0.207 0.000 2.304 293 W HA 0.058 4.718 4.660 0.001 0.000 0.313 293 W C 0.781 177.203 176.519 -0.162 0.000 1.323 293 W CA -1.102 56.041 57.345 -0.337 0.000 1.223 293 W CB -0.473 28.635 29.460 -0.586 0.000 1.237 293 W HN 0.460 nan 8.180 nan 0.000 0.535 294 D N 3.621 124.090 120.400 0.115 0.000 2.950 294 D HA -0.158 4.482 4.640 0.001 0.000 0.265 294 D C 1.203 177.636 176.300 0.221 0.000 1.405 294 D CA 0.684 54.781 54.000 0.162 0.000 0.998 294 D CB 0.439 41.336 40.800 0.162 0.000 1.154 294 D HN 0.426 nan 8.370 nan 0.000 0.586 295 K N 2.634 123.132 120.400 0.163 0.000 2.144 295 K HA -0.226 4.094 4.320 0.001 0.000 0.209 295 K C 1.638 178.319 176.600 0.136 0.000 1.047 295 K CA 1.039 57.422 56.287 0.161 0.000 0.927 295 K CB 0.138 32.730 32.500 0.152 0.000 0.716 295 K HN 0.410 nan 8.250 nan 0.000 0.454 296 E N 0.128 120.396 120.200 0.112 0.000 2.058 296 E HA -0.137 4.214 4.350 0.001 0.000 0.194 296 E C 1.943 178.576 176.600 0.055 0.000 0.997 296 E CA 1.888 58.332 56.400 0.074 0.000 0.801 296 E CB -0.224 29.511 29.700 0.058 0.000 0.746 296 E HN 0.503 nan 8.360 nan 0.000 0.450 297 T N -1.968 112.630 114.554 0.074 0.000 3.186 297 T HA 0.090 4.440 4.350 0.001 0.000 0.257 297 T C 0.383 174.953 174.700 -0.217 0.000 1.029 297 T CA -0.246 61.832 62.100 -0.038 0.000 0.916 297 T CB -0.130 68.709 68.868 -0.048 0.000 1.041 297 T HN 0.050 nan 8.240 nan 0.000 0.562 298 H N 2.082 121.188 119.070 0.060 0.000 2.538 298 H HA 0.313 4.869 4.556 0.001 0.000 0.239 298 H C -2.928 172.352 175.328 -0.079 0.000 1.401 298 H CA -1.424 54.662 56.048 0.064 0.000 1.499 298 H CB 1.524 31.405 29.762 0.198 0.000 1.624 298 H HN 0.342 nan 8.280 nan 0.000 0.524 299 P HA 0.073 nan 4.420 nan 0.000 0.278 299 P C -0.274 176.919 177.300 -0.179 0.000 1.266 299 P CA -0.545 62.502 63.100 -0.088 0.000 0.807 299 P CB 1.392 33.013 31.700 -0.131 0.000 1.094 300 W N 0.313 121.585 121.300 -0.046 0.000 2.338 300 W HA 0.386 5.046 4.660 0.001 0.000 0.307 300 W C -0.199 176.260 176.519 -0.100 0.000 1.167 300 W CA -0.156 57.181 57.345 -0.014 0.000 1.208 300 W CB 0.301 29.767 29.460 0.010 0.000 1.228 300 W HN 0.149 nan 8.180 nan 0.000 0.499 301 F N 3.284 123.384 119.950 0.250 0.000 2.411 301 F HA 0.106 4.634 4.527 0.001 0.000 0.355 301 F C 1.002 176.944 175.800 0.236 0.000 1.117 301 F CA -0.472 57.665 58.000 0.229 0.000 1.139 301 F CB 0.491 39.639 39.000 0.247 0.000 1.120 301 F HN 0.142 nan 8.300 nan 0.000 0.493 302 D N 3.633 124.249 120.400 0.360 0.000 2.472 302 D HA -0.017 4.623 4.640 0.001 0.000 0.248 302 D C 0.614 177.152 176.300 0.396 0.000 1.174 302 D CA 0.600 54.770 54.000 0.283 0.000 0.883 302 D CB 1.294 42.217 40.800 0.205 0.000 1.149 302 D HN 0.495 nan 8.370 nan 0.000 0.488 303 L N 3.465 124.859 121.223 0.285 0.000 2.515 303 L HA 0.397 4.737 4.340 0.001 0.000 0.202 303 L C 0.123 177.172 176.870 0.299 0.000 1.056 303 L CA 0.761 55.764 54.840 0.272 0.000 0.847 303 L CB 0.198 42.214 42.059 -0.071 0.000 1.131 303 L HN 0.404 nan 8.230 nan 0.000 0.484 304 A N -0.446 122.518 122.820 0.239 0.000 2.567 304 A HA 0.639 4.960 4.320 0.001 0.000 0.289 304 A C -1.403 176.298 177.584 0.195 0.000 1.177 304 A CA -0.604 51.592 52.037 0.264 0.000 0.694 304 A CB 1.030 20.240 19.000 0.351 0.000 1.292 304 A HN 0.018 nan 8.150 nan 0.000 0.425 305 K N 0.986 121.502 120.400 0.192 0.000 2.545 305 K HA 0.585 4.906 4.320 0.001 0.000 0.252 305 K C -1.813 174.895 176.600 0.179 0.000 0.948 305 K CA -0.359 56.023 56.287 0.159 0.000 0.827 305 K CB 1.654 34.228 32.500 0.123 0.000 1.128 305 K HN 0.455 nan 8.250 nan 0.000 0.429 306 V N 2.656 122.697 119.914 0.211 0.000 2.407 306 V HA 0.272 4.392 4.120 0.001 0.000 0.278 306 V C -0.061 176.181 176.094 0.248 0.000 1.037 306 V CA -0.550 61.880 62.300 0.216 0.000 0.900 306 V CB 1.297 33.239 31.823 0.199 0.000 0.983 306 V HN 0.772 nan 8.190 nan 0.000 0.459 307 S N 5.702 121.501 115.700 0.165 0.000 2.498 307 S HA 0.708 5.179 4.470 0.001 0.000 0.317 307 S C -0.793 173.873 174.600 0.109 0.000 1.090 307 S CA -0.610 57.665 58.200 0.126 0.000 1.089 307 S CB 0.465 63.713 63.200 0.081 0.000 0.997 307 S HN 0.484 nan 8.310 nan 0.000 0.470 308 I N 6.191 126.831 120.570 0.116 0.000 2.406 308 I HA 0.453 4.623 4.170 0.001 0.000 0.290 308 I C 0.614 176.752 176.117 0.035 0.000 0.999 308 I CA -0.664 60.690 61.300 0.090 0.000 1.124 308 I CB 1.614 39.713 38.000 0.165 0.000 1.289 308 I HN 0.697 nan 8.210 nan 0.000 0.441 309 K N 3.388 123.800 120.400 0.019 0.000 3.934 309 K HA 0.208 4.528 4.320 0.001 0.000 0.239 309 K C 0.231 176.825 176.600 -0.010 0.000 1.230 309 K CA 0.060 56.345 56.287 -0.003 0.000 1.588 309 K CB -0.989 31.512 32.500 0.002 0.000 2.333 309 K HN 0.508 nan 8.250 nan 0.000 0.482 310 T N 3.971 118.524 114.554 -0.003 0.000 2.778 310 T HA 0.092 4.443 4.350 0.001 0.000 0.282 310 T C -2.240 172.460 174.700 0.001 0.000 0.983 310 T CA -1.128 60.971 62.100 -0.003 0.000 1.193 310 T CB -0.369 68.499 68.868 -0.000 0.000 0.938 310 T HN 0.175 nan 8.240 nan 0.000 0.523 311 P HA 0.156 nan 4.420 nan 0.000 0.269 311 P C -0.445 176.867 177.300 0.020 0.000 1.215 311 P CA -0.782 62.327 63.100 0.015 0.000 0.780 311 P CB 0.571 32.278 31.700 0.013 0.000 0.898 312 L N 2.113 123.355 121.223 0.032 0.000 2.264 312 L HA 0.265 4.605 4.340 0.001 0.000 0.289 312 L C 0.728 177.609 176.870 0.018 0.000 1.044 312 L CA -0.276 54.574 54.840 0.016 0.000 0.807 312 L CB 0.433 42.497 42.059 0.008 0.000 1.192 312 L HN 0.374 nan 8.230 nan 0.000 0.425 313 S N 5.773 121.477 115.700 0.008 0.000 2.566 313 S HA 0.146 4.616 4.470 0.001 0.000 0.280 313 S C -1.456 173.149 174.600 0.009 0.000 1.343 313 S CA -0.640 57.566 58.200 0.009 0.000 1.036 313 S CB 0.627 63.828 63.200 0.002 0.000 0.866 313 S HN 0.613 nan 8.310 nan 0.000 0.526 314 P HA -0.137 nan 4.420 nan 0.000 0.212 314 P C 0.777 178.080 177.300 0.006 0.000 1.178 314 P CA 1.482 64.591 63.100 0.015 0.000 0.915 314 P CB -0.094 31.618 31.700 0.019 0.000 0.788 315 D N -1.271 119.130 120.400 0.002 0.000 2.363 315 D HA -0.023 4.617 4.640 0.001 0.000 0.226 315 D C 1.257 177.549 176.300 -0.013 0.000 1.020 315 D CA 0.598 54.596 54.000 -0.004 0.000 0.892 315 D CB -0.123 40.675 40.800 -0.003 0.000 0.900 315 D HN 0.127 nan 8.370 nan 0.000 0.531 316 V N 0.281 120.185 119.914 -0.017 0.000 3.455 316 V HA -0.022 4.099 4.120 0.001 0.000 0.250 316 V C 2.174 178.244 176.094 -0.041 0.000 1.230 316 V CA 0.015 62.297 62.300 -0.029 0.000 1.105 316 V CB 0.166 31.972 31.823 -0.028 0.000 0.850 316 V HN 0.076 nan 8.190 nan 0.000 0.461 317 L N 1.048 122.254 121.223 -0.029 0.000 2.027 317 L HA -0.081 4.259 4.340 0.001 0.000 0.206 317 L C 2.458 179.310 176.870 -0.031 0.000 1.074 317 L CA 2.338 57.160 54.840 -0.032 0.000 0.745 317 L CB -0.452 41.599 42.059 -0.014 0.000 0.898 317 L HN 0.364 nan 8.230 nan 0.000 0.433 318 E N 1.055 121.244 120.200 -0.018 0.000 2.147 318 E HA -0.301 4.049 4.350 0.001 0.000 0.199 318 E C 1.932 178.518 176.600 -0.023 0.000 1.005 318 E CA 2.234 58.627 56.400 -0.012 0.000 0.810 318 E CB -0.364 29.336 29.700 -0.001 0.000 0.736 318 E HN 0.735 nan 8.360 nan 0.000 0.460 319 K N -0.619 119.759 120.400 -0.037 0.000 2.444 319 K HA 0.095 4.415 4.320 0.001 0.000 0.193 319 K C 0.161 176.712 176.600 -0.082 0.000 1.024 319 K CA 0.311 56.570 56.287 -0.048 0.000 1.077 319 K CB -0.043 32.431 32.500 -0.043 0.000 0.833 319 K HN -0.103 nan 8.250 nan 0.000 0.517 320 T N 1.601 116.087 114.554 -0.113 0.000 2.802 320 T HA 0.328 4.679 4.350 0.001 0.000 0.305 320 T C -0.022 174.543 174.700 -0.224 0.000 1.053 320 T CA -0.048 61.922 62.100 -0.217 0.000 1.058 320 T CB 1.262 69.955 68.868 -0.291 0.000 0.988 320 T HN 0.359 nan 8.240 nan 0.000 0.539 321 A N 1.866 124.473 122.820 -0.356 0.000 2.768 321 A HA 0.572 4.893 4.320 0.001 0.000 0.298 321 A C -0.698 176.725 177.584 -0.270 0.000 1.159 321 A CA -0.803 51.104 52.037 -0.218 0.000 0.783 321 A CB 0.123 19.058 19.000 -0.108 0.000 1.333 321 A HN 0.613 nan 8.150 nan 0.000 0.412 322 F N 1.875 121.784 119.950 -0.068 0.000 2.418 322 F HA 0.570 5.097 4.527 0.001 0.000 0.341 322 F C 0.888 176.727 175.800 0.064 0.000 1.120 322 F CA 0.315 58.289 58.000 -0.044 0.000 1.232 322 F CB 0.938 39.878 39.000 -0.100 0.000 1.175 322 F HN 0.584 nan 8.300 nan 0.000 0.569 323 N N 2.100 120.953 118.700 0.256 0.000 2.554 323 N HA 0.160 4.901 4.740 0.001 0.000 0.271 323 N C 0.143 175.714 175.510 0.101 0.000 1.081 323 N CA -0.605 52.596 53.050 0.252 0.000 0.994 323 N CB 0.980 39.590 38.487 0.205 0.000 1.641 323 N HN 0.554 nan 8.380 nan 0.000 0.511 324 I N 0.850 121.418 120.570 -0.002 0.000 2.700 324 I HA 0.009 4.179 4.170 0.001 0.000 0.261 324 I C 1.806 177.913 176.117 -0.016 0.000 1.219 324 I CA 1.261 62.548 61.300 -0.021 0.000 1.463 324 I CB -0.244 37.709 38.000 -0.077 0.000 1.092 324 I HN 0.445 nan 8.210 nan 0.000 0.452 325 A N 1.588 124.393 122.820 -0.025 0.000 1.972 325 A HA -0.109 4.212 4.320 0.001 0.000 0.219 325 A C 1.287 178.870 177.584 -0.002 0.000 1.169 325 A CA 1.141 53.172 52.037 -0.010 0.000 0.635 325 A CB -0.762 18.240 19.000 0.004 0.000 0.810 325 A HN 0.537 nan 8.150 nan 0.000 0.446 326 N N 2.073 120.778 118.700 0.009 0.000 2.605 326 N HA 0.087 4.828 4.740 0.001 0.000 0.282 326 N C -0.615 174.884 175.510 -0.019 0.000 1.206 326 N CA 0.547 53.596 53.050 -0.001 0.000 1.074 326 N CB 0.187 38.680 38.487 0.011 0.000 1.434 326 N HN 0.520 nan 8.380 nan 0.000 0.506 327 Q N 1.450 121.221 119.800 -0.049 0.000 2.397 327 Q HA 0.502 4.842 4.340 0.001 0.000 0.275 327 Q C -2.339 173.566 176.000 -0.158 0.000 1.090 327 Q CA -1.464 54.277 55.803 -0.103 0.000 0.809 327 Q CB 3.026 31.734 28.738 -0.049 0.000 1.362 327 Q HN 0.300 nan 8.270 nan 0.000 0.431 328 P HA 0.250 nan 4.420 nan 0.000 0.281 328 P C -0.164 177.018 177.300 -0.197 0.000 1.281 328 P CA -0.209 62.720 63.100 -0.285 0.000 0.811 328 P CB 0.727 32.078 31.700 -0.582 0.000 1.154 329 A N 0.691 123.434 122.820 -0.129 0.000 2.019 329 A HA -0.126 4.195 4.320 0.001 0.000 0.219 329 A C 1.957 179.481 177.584 -0.099 0.000 1.164 329 A CA 1.971 53.955 52.037 -0.089 0.000 0.644 329 A CB -1.596 17.366 19.000 -0.063 0.000 0.805 329 A HN 0.632 nan 8.150 nan 0.000 0.449 330 S N -1.350 114.269 115.700 -0.135 0.000 2.603 330 S HA 0.342 4.812 4.470 0.001 0.000 0.220 330 S C 0.952 175.538 174.600 -0.024 0.000 0.967 330 S CA 0.373 58.476 58.200 -0.160 0.000 0.920 330 S CB -0.314 62.681 63.200 -0.341 0.000 0.773 330 S HN 0.421 nan 8.310 nan 0.000 0.529 331 L N -0.153 121.057 121.223 -0.022 0.000 2.801 331 L HA 0.752 5.093 4.340 0.001 0.000 0.221 331 L C 1.068 177.961 176.870 0.038 0.000 1.895 331 L CA -0.264 54.615 54.840 0.065 0.000 2.760 331 L CB -0.340 41.776 42.059 0.096 0.000 2.629 331 L HN 0.420 nan 8.230 nan 0.000 0.670 332 G N -0.277 108.551 108.800 0.047 0.000 2.373 332 G HA2 0.005 3.965 3.960 0.001 0.000 0.634 332 G HA3 0.005 3.965 3.960 0.001 0.000 0.634 332 G C -1.594 173.344 174.900 0.064 0.000 1.267 332 G CA -0.792 44.328 45.100 0.033 0.000 1.008 332 G HN 0.314 nan 8.290 nan 0.000 0.497 333 L N -0.317 120.930 121.223 0.039 0.000 2.303 333 L HA 0.718 5.058 4.340 0.001 0.000 0.266 333 L C 0.625 177.506 176.870 0.019 0.000 1.011 333 L CA -1.076 53.785 54.840 0.035 0.000 0.818 333 L CB 1.587 43.651 42.059 0.010 0.000 1.326 333 L HN 0.536 nan 8.230 nan 0.000 0.435 334 L N 0.494 121.714 121.223 -0.005 0.000 2.421 334 L HA 0.328 4.668 4.340 0.001 0.000 0.263 334 L C 0.256 177.095 176.870 -0.051 0.000 1.122 334 L CA -0.514 54.297 54.840 -0.048 0.000 0.804 334 L CB 0.964 42.925 42.059 -0.164 0.000 1.150 334 L HN 0.568 nan 8.230 nan 0.000 0.457 335 E N 0.976 121.144 120.200 -0.052 0.000 2.249 335 E HA 0.416 4.767 4.350 0.001 0.000 0.280 335 E C -0.710 175.867 176.600 -0.039 0.000 1.016 335 E CA -0.566 55.814 56.400 -0.034 0.000 0.830 335 E CB 1.821 31.510 29.700 -0.018 0.000 1.081 335 E HN 0.593 nan 8.360 nan 0.000 0.395 336 A N 3.184 125.991 122.820 -0.022 0.000 2.290 336 A HA 0.222 4.543 4.320 0.001 0.000 0.310 336 A C 0.565 178.147 177.584 -0.004 0.000 1.202 336 A CA -0.413 51.617 52.037 -0.012 0.000 0.837 336 A CB 0.630 19.627 19.000 -0.004 0.000 1.139 336 A HN 0.628 nan 8.150 nan 0.000 0.509 337 K N 0.688 121.088 120.400 0.000 0.000 2.308 337 K HA 0.121 4.441 4.320 0.001 0.000 0.197 337 K C 0.193 176.799 176.600 0.010 0.000 1.049 337 K CA 1.124 57.413 56.287 0.003 0.000 0.991 337 K CB 0.258 32.760 32.500 0.003 0.000 0.836 337 K HN 0.832 nan 8.250 nan 0.000 0.500 338 S N -0.686 115.023 115.700 0.015 0.000 2.570 338 S HA 0.262 4.732 4.470 0.001 0.000 0.270 338 S C -2.612 172.009 174.600 0.034 0.000 1.149 338 S CA -1.208 57.008 58.200 0.026 0.000 0.837 338 S CB 2.099 65.314 63.200 0.026 0.000 1.124 338 S HN -0.234 nan 8.310 nan 0.000 0.465 339 P HA -0.006 nan 4.420 nan 0.000 0.226 339 P C 0.578 177.922 177.300 0.073 0.000 1.153 339 P CA 1.099 64.231 63.100 0.053 0.000 0.777 339 P CB 0.044 31.787 31.700 0.071 0.000 0.794 340 E N -0.054 120.189 120.200 0.072 0.000 2.158 340 E HA -0.058 4.293 4.350 0.001 0.000 0.191 340 E C 0.970 177.602 176.600 0.054 0.000 0.982 340 E CA 0.283 56.735 56.400 0.088 0.000 0.823 340 E CB -0.771 28.967 29.700 0.062 0.000 0.766 340 E HN 0.218 nan 8.360 nan 0.000 0.468 341 D N 0.263 120.670 120.400 0.011 0.000 2.451 341 D HA -0.126 4.514 4.640 0.001 0.000 0.254 341 D C 0.184 176.546 176.300 0.104 0.000 1.204 341 D CA 0.348 54.335 54.000 -0.022 0.000 0.896 341 D CB 0.219 41.019 40.800 0.001 0.000 1.136 341 D HN 0.293 nan 8.370 nan 0.000 0.499 342 Y N 2.537 122.901 120.300 0.106 0.000 2.425 342 Y HA -0.244 4.306 4.550 0.001 0.000 0.285 342 Y C 1.843 177.802 175.900 0.099 0.000 1.170 342 Y CA 0.167 58.336 58.100 0.114 0.000 1.304 342 Y CB 0.050 38.580 38.460 0.116 0.000 0.972 342 Y HN 0.409 nan 8.280 nan 0.000 0.558 343 N N -0.384 118.423 118.700 0.179 0.000 2.467 343 N HA -0.083 4.658 4.740 0.001 0.000 0.184 343 N C 1.742 177.278 175.510 0.043 0.000 1.106 343 N CA 0.962 54.044 53.050 0.052 0.000 0.892 343 N CB -0.152 38.291 38.487 -0.073 0.000 0.969 343 N HN 0.356 nan 8.380 nan 0.000 0.454 344 S N 0.773 116.512 115.700 0.065 0.000 2.400 344 S HA -0.102 4.369 4.470 0.001 0.000 0.232 344 S C 1.880 176.479 174.600 -0.002 0.000 1.025 344 S CA 0.524 58.739 58.200 0.024 0.000 0.993 344 S CB -0.197 63.020 63.200 0.029 0.000 0.808 344 S HN 0.094 nan 8.310 nan 0.000 0.478 345 I N 3.029 123.625 120.570 0.044 0.000 2.208 345 I HA -0.099 4.072 4.170 0.001 0.000 0.245 345 I C 2.698 178.815 176.117 -0.001 0.000 1.097 345 I CA 1.194 62.518 61.300 0.040 0.000 1.363 345 I CB -2.195 35.906 38.000 0.168 0.000 1.051 345 I HN 0.444 nan 8.210 nan 0.000 0.413 346 G N 0.427 109.229 108.800 0.003 0.000 2.575 346 G HA2 -0.228 3.732 3.960 0.001 0.000 0.215 346 G HA3 -0.228 3.732 3.960 0.001 0.000 0.215 346 G C 1.439 176.297 174.900 -0.069 0.000 1.262 346 G CA 0.411 45.488 45.100 -0.038 0.000 0.807 346 G HN 0.411 nan 8.290 nan 0.000 0.567 347 E N 0.084 120.257 120.200 -0.045 0.000 2.339 347 E HA -0.117 4.233 4.350 0.001 0.000 0.201 347 E C 2.488 179.057 176.600 -0.051 0.000 1.015 347 E CA 0.409 56.785 56.400 -0.040 0.000 0.841 347 E CB -0.134 29.553 29.700 -0.022 0.000 0.754 347 E HN 0.410 nan 8.360 nan 0.000 0.508 348 L N 0.002 121.176 121.223 -0.081 0.000 2.013 348 L HA -0.133 4.207 4.340 0.001 0.000 0.204 348 L C 2.557 179.378 176.870 -0.082 0.000 1.081 348 L CA 0.948 55.723 54.840 -0.109 0.000 0.751 348 L CB -0.334 41.592 42.059 -0.222 0.000 0.901 348 L HN -0.010 nan 8.230 nan 0.000 0.440 349 R N -0.421 119.996 120.500 -0.138 0.000 2.162 349 R HA -0.261 4.080 4.340 0.001 0.000 0.245 349 R C 2.112 178.233 176.300 -0.298 0.000 1.129 349 R CA 1.995 57.915 56.100 -0.300 0.000 0.940 349 R CB -1.243 28.689 30.300 -0.614 0.000 0.875 349 R HN 0.158 nan 8.270 nan 0.000 0.437 350 V N 0.676 120.447 119.914 -0.240 0.000 2.243 350 V HA -0.403 3.718 4.120 0.001 0.000 0.258 350 V C 2.399 178.520 176.094 0.046 0.000 1.073 350 V CA 2.414 64.659 62.300 -0.092 0.000 1.069 350 V CB -0.757 31.036 31.823 -0.050 0.000 0.681 350 V HN 0.643 nan 8.190 nan 0.000 0.457 351 A N -0.660 122.200 122.820 0.066 0.000 1.874 351 A HA -0.068 4.252 4.320 0.001 0.000 0.214 351 A C 1.946 179.656 177.584 0.211 0.000 1.189 351 A CA 1.659 53.776 52.037 0.133 0.000 0.615 351 A CB -0.515 18.540 19.000 0.093 0.000 0.830 351 A HN 0.744 nan 8.150 nan 0.000 0.443 352 V N -3.036 116.999 119.914 0.201 0.000 3.623 352 V HA -0.008 4.113 4.120 0.001 0.000 0.274 352 V C 1.548 177.852 176.094 0.349 0.000 1.244 352 V CA 0.850 63.306 62.300 0.260 0.000 1.182 352 V CB -1.678 30.294 31.823 0.248 0.000 0.925 352 V HN 0.495 nan 8.190 nan 0.000 0.462 353 Y N 0.518 120.859 120.300 0.069 0.000 2.472 353 Y HA 0.148 4.699 4.550 0.001 0.000 0.288 353 Y C 2.722 178.687 175.900 0.109 0.000 1.154 353 Y CA 0.874 59.005 58.100 0.052 0.000 1.238 353 Y CB -0.800 37.675 38.460 0.024 0.000 1.287 353 Y HN 0.091 nan 8.280 nan 0.000 0.524 354 T N 1.020 115.753 114.554 0.299 0.000 2.665 354 T HA -0.251 4.099 4.350 0.001 0.000 0.268 354 T C 1.688 176.564 174.700 0.294 0.000 1.035 354 T CA 2.008 64.252 62.100 0.240 0.000 1.151 354 T CB -0.480 68.508 68.868 0.199 0.000 0.862 354 T HN 0.533 nan 8.240 nan 0.000 0.438 355 W N 2.362 123.756 121.300 0.155 0.000 2.380 355 W HA -0.174 4.487 4.660 0.001 0.000 0.317 355 W C 2.242 178.816 176.519 0.091 0.000 1.196 355 W CA 1.804 59.244 57.345 0.160 0.000 1.307 355 W CB -0.958 28.584 29.460 0.136 0.000 1.157 355 W HN 0.222 nan 8.180 nan 0.000 0.483 356 V N 0.557 120.715 119.914 0.406 0.000 2.287 356 V HA -0.336 3.784 4.120 0.001 0.000 0.248 356 V C 2.285 178.405 176.094 0.043 0.000 1.053 356 V CA 2.418 64.838 62.300 0.201 0.000 1.027 356 V CB -1.370 30.518 31.823 0.108 0.000 0.646 356 V HN 0.288 nan 8.190 nan 0.000 0.447 357 Q N 0.358 120.194 119.800 0.060 0.000 2.020 357 Q HA -0.268 4.072 4.340 0.001 0.000 0.202 357 Q C 2.360 178.384 176.000 0.039 0.000 0.982 357 Q CA 2.132 57.956 55.803 0.033 0.000 0.838 357 Q CB -0.568 28.198 28.738 0.046 0.000 0.899 357 Q HN 0.944 nan 8.270 nan 0.000 0.423 358 H N 0.556 119.602 119.070 -0.041 0.000 2.492 358 H HA -0.111 4.445 4.556 0.001 0.000 0.296 358 H C 1.674 176.929 175.328 -0.122 0.000 1.095 358 H CA 0.954 56.946 56.048 -0.093 0.000 1.281 358 H CB -0.100 29.587 29.762 -0.125 0.000 1.374 358 H HN 0.114 nan 8.280 nan 0.000 0.545 359 L N 0.508 121.504 121.223 -0.378 0.000 2.044 359 L HA -0.030 4.311 4.340 0.001 0.000 0.205 359 L C 2.356 179.258 176.870 0.053 0.000 1.075 359 L CA 1.586 56.258 54.840 -0.280 0.000 0.747 359 L CB -0.778 41.187 42.059 -0.156 0.000 0.903 359 L HN 0.367 nan 8.230 nan 0.000 0.435 360 R N -0.322 120.236 120.500 0.097 0.000 2.081 360 R HA -0.203 4.137 4.340 0.001 0.000 0.235 360 R C 2.182 178.500 176.300 0.030 0.000 1.131 360 R CA 1.296 57.492 56.100 0.160 0.000 0.960 360 R CB -0.220 30.137 30.300 0.095 0.000 0.856 360 R HN 0.261 nan 8.270 nan 0.000 0.436 361 K N 1.124 121.526 120.400 0.003 0.000 2.059 361 K HA -0.181 4.139 4.320 0.001 0.000 0.212 361 K C 2.029 178.602 176.600 -0.045 0.000 1.050 361 K CA 1.422 57.703 56.287 -0.010 0.000 0.927 361 K CB -0.146 32.372 32.500 0.030 0.000 0.714 361 K HN 0.139 nan 8.250 nan 0.000 0.447 362 L N 0.460 121.639 121.223 -0.074 0.000 2.079 362 L HA -0.160 4.180 4.340 0.001 0.000 0.210 362 L C 1.198 177.948 176.870 -0.200 0.000 1.081 362 L CA 1.060 55.829 54.840 -0.118 0.000 0.752 362 L CB -0.248 41.726 42.059 -0.143 0.000 0.896 362 L HN 0.057 nan 8.230 nan 0.000 0.433 363 K N 0.736 120.957 120.400 -0.298 0.000 3.141 363 K HA 0.109 4.429 4.320 0.001 0.000 0.248 363 K C 0.985 177.484 176.600 -0.168 0.000 1.282 363 K CA -0.104 55.966 56.287 -0.362 0.000 1.251 363 K CB 0.304 32.326 32.500 -0.797 0.000 1.533 363 K HN 0.057 nan 8.250 nan 0.000 0.409 364 I N 0.762 121.265 120.570 -0.111 0.000 2.953 364 I HA -0.165 4.005 4.170 0.001 0.000 0.271 364 I C 1.080 177.157 176.117 -0.066 0.000 1.286 364 I CA 1.182 62.441 61.300 -0.068 0.000 1.449 364 I CB -0.217 37.751 38.000 -0.053 0.000 1.086 364 I HN 0.690 nan 8.210 nan 0.000 0.483 365 G N 0.055 108.799 108.800 -0.094 0.000 2.141 365 G HA2 -0.230 3.731 3.960 0.001 0.000 0.242 365 G HA3 -0.230 3.731 3.960 0.001 0.000 0.242 365 G C 0.356 175.222 174.900 -0.057 0.000 0.982 365 G CA 0.457 45.512 45.100 -0.075 0.000 0.662 365 G HN 0.962 nan 8.290 nan 0.000 0.527 366 S N -1.878 113.786 115.700 -0.059 0.000 2.683 366 S HA 0.941 5.412 4.470 0.001 0.000 0.269 366 S C -0.753 173.822 174.600 -0.041 0.000 1.165 366 S CA 0.163 58.338 58.200 -0.043 0.000 0.840 366 S CB 2.400 65.581 63.200 -0.032 0.000 1.169 366 S HN 2.111 nan 8.310 nan 0.000 0.490 374 A N 0.989 123.777 122.820 -0.053 0.000 2.540 374 A HA 0.788 5.108 4.320 0.001 0.000 0.297 374 A C -1.188 176.393 177.584 -0.006 0.000 1.056 374 A CA -0.403 51.648 52.037 0.023 0.000 0.700 374 A CB 0.611 19.693 19.000 0.137 0.000 1.280 374 A HN 1.037 nan 8.150 nan 0.000 0.398 375 I N 1.808 122.440 120.570 0.104 0.000 2.395 375 I HA 0.302 4.472 4.170 0.001 0.000 0.289 375 I C -0.828 175.517 176.117 0.381 0.000 1.023 375 I CA -0.107 61.267 61.300 0.124 0.000 1.350 375 I CB 0.706 38.747 38.000 0.068 0.000 1.409 375 I HN 0.621 nan 8.210 nan 0.000 0.507 376 Y N 4.727 125.033 120.300 0.010 0.000 2.345 376 Y HA 0.341 4.892 4.550 0.001 0.000 0.331 376 Y C 0.002 175.923 175.900 0.034 0.000 0.959 376 Y CA -1.320 56.789 58.100 0.015 0.000 1.204 376 Y CB 1.341 39.799 38.460 -0.003 0.000 1.135 376 Y HN 0.535 nan 8.280 nan 0.000 0.477 377 N N 3.186 121.982 118.700 0.160 0.000 2.455 377 N HA 0.345 5.085 4.740 0.001 0.000 0.280 377 N C -0.997 174.589 175.510 0.128 0.000 1.055 377 N CA -0.220 52.906 53.050 0.128 0.000 0.961 377 N CB 2.348 40.884 38.487 0.082 0.000 1.121 377 N HN 0.299 nan 8.380 nan 0.000 0.476 378 V N 1.562 121.575 119.914 0.164 0.000 2.516 378 V HA 0.124 4.245 4.120 0.001 0.000 0.271 378 V C 0.186 176.410 176.094 0.218 0.000 0.992 378 V CA -0.817 61.574 62.300 0.152 0.000 0.857 378 V CB 1.489 33.369 31.823 0.096 0.000 1.047 378 V HN 0.531 nan 8.190 nan 0.000 0.455 379 E N 2.384 122.702 120.200 0.196 0.000 2.373 379 E HA 0.407 4.758 4.350 0.001 0.000 0.267 379 E C -1.118 175.602 176.600 0.201 0.000 1.032 379 E CA 0.113 56.642 56.400 0.215 0.000 0.889 379 E CB 1.918 31.732 29.700 0.188 0.000 0.984 379 E HN 0.443 nan 8.360 nan 0.000 0.425 380 V N 4.704 124.759 119.914 0.234 0.000 2.462 380 V HA 0.145 4.266 4.120 0.001 0.000 0.288 380 V C -0.187 176.009 176.094 0.170 0.000 1.020 380 V CA -0.677 61.736 62.300 0.190 0.000 0.857 380 V CB 1.625 33.603 31.823 0.258 0.000 1.013 380 V HN 0.618 nan 8.190 nan 0.000 0.431 381 E N 3.075 123.307 120.200 0.053 0.000 2.200 381 E HA 0.512 4.863 4.350 0.001 0.000 0.283 381 E C -0.580 175.957 176.600 -0.106 0.000 1.015 381 E CA -0.282 56.120 56.400 0.003 0.000 0.819 381 E CB 1.225 30.905 29.700 -0.034 0.000 1.081 381 E HN 0.663 nan 8.360 nan 0.000 0.397 382 T N 2.636 117.181 114.554 -0.014 0.000 2.929 382 T HA 0.467 4.818 4.350 0.001 0.000 0.284 382 T C 0.258 174.902 174.700 -0.093 0.000 1.014 382 T CA -0.537 61.528 62.100 -0.060 0.000 1.051 382 T CB 1.593 70.592 68.868 0.218 0.000 1.028 382 T HN 0.589 nan 8.240 nan 0.000 0.485 383 G N 0.623 109.328 108.800 -0.158 0.000 2.634 383 G HA2 0.220 4.180 3.960 0.001 0.000 0.255 383 G HA3 0.220 4.180 3.960 0.001 0.000 0.255 383 G C 0.111 175.074 174.900 0.105 0.000 1.205 383 G CA -0.442 44.659 45.100 0.001 0.000 0.884 383 G HN 0.702 nan 8.290 nan 0.000 0.549 384 D N -1.028 119.447 120.400 0.123 0.000 2.183 384 D HA -0.000 4.640 4.640 0.001 0.000 0.205 384 D C 1.619 177.985 176.300 0.110 0.000 0.962 384 D CA 0.362 54.423 54.000 0.102 0.000 0.849 384 D CB 0.065 40.915 40.800 0.083 0.000 0.978 384 D HN 0.578 nan 8.370 nan 0.000 0.488 385 R N 1.599 122.168 120.500 0.115 0.000 2.640 385 R HA 0.050 4.390 4.340 0.001 0.000 0.270 385 R C -0.279 176.116 176.300 0.158 0.000 1.024 385 R CA -0.004 56.154 56.100 0.097 0.000 1.085 385 R CB 0.196 30.513 30.300 0.029 0.000 0.963 385 R HN 0.020 nan 8.270 nan 0.000 0.426 386 E N 1.759 122.061 120.200 0.169 0.000 2.534 386 E HA -0.139 4.211 4.350 0.001 0.000 0.264 386 E C -0.380 176.467 176.600 0.411 0.000 0.981 386 E CA 0.633 57.181 56.400 0.247 0.000 0.948 386 E CB 0.060 29.883 29.700 0.204 0.000 0.934 386 E HN 0.781 nan 8.360 nan 0.000 0.459 387 H N 0.097 119.283 119.070 0.194 0.000 4.089 387 H HA -0.220 4.336 4.556 0.001 0.000 0.142 387 H C 1.213 176.787 175.328 0.410 0.000 0.778 387 H CA 0.904 57.100 56.048 0.247 0.000 1.258 387 H CB -1.592 28.294 29.762 0.207 0.000 0.810 387 H HN 0.573 nan 8.280 nan 0.000 0.487 388 A N 1.362 124.478 122.820 0.494 0.000 2.234 388 A HA 0.170 4.491 4.320 0.001 0.000 0.216 388 A C 1.936 179.728 177.584 0.346 0.000 1.167 388 A CA 1.153 53.403 52.037 0.356 0.000 0.698 388 A CB -0.722 18.363 19.000 0.142 0.000 0.779 388 A HN 0.628 nan 8.150 nan 0.000 0.475 389 G N -1.216 107.723 108.800 0.231 0.000 2.554 389 G HA2 0.390 4.350 3.960 0.001 0.000 0.238 389 G HA3 0.390 4.350 3.960 0.001 0.000 0.238 389 G C -0.105 174.846 174.900 0.085 0.000 1.259 389 G CA 0.682 45.839 45.100 0.096 0.000 0.843 389 G HN 0.272 nan 8.290 nan 0.000 0.582 390 T N -0.416 114.102 114.554 -0.060 0.000 2.841 390 T HA 0.301 4.651 4.350 0.001 0.000 0.285 390 T C 0.494 175.087 174.700 -0.179 0.000 0.991 390 T CA -0.463 61.568 62.100 -0.115 0.000 0.966 390 T CB 1.748 70.426 68.868 -0.317 0.000 0.962 390 T HN 0.491 nan 8.240 nan 0.000 0.438 391 D N 3.761 124.092 120.400 -0.116 0.000 2.271 391 D HA 0.314 4.954 4.640 0.001 0.000 0.206 391 D C 1.014 177.274 176.300 -0.066 0.000 0.967 391 D CA 0.440 54.383 54.000 -0.096 0.000 0.867 391 D CB 0.165 40.921 40.800 -0.073 0.000 0.960 391 D HN 0.736 nan 8.370 nan 0.000 0.509 392 A N -0.069 122.697 122.820 -0.090 0.000 2.313 392 A HA 0.497 4.817 4.320 0.001 0.000 0.261 392 A C 0.739 178.244 177.584 -0.131 0.000 1.090 392 A CA -0.049 51.928 52.037 -0.101 0.000 0.807 392 A CB 0.113 19.051 19.000 -0.102 0.000 1.055 392 A HN 0.327 nan 8.150 nan 0.000 0.492 393 T N -0.932 113.547 114.554 -0.125 0.000 2.788 393 T HA 0.600 4.950 4.350 0.001 0.000 0.287 393 T C -0.009 174.581 174.700 -0.182 0.000 1.007 393 T CA -0.363 61.658 62.100 -0.130 0.000 1.005 393 T CB 0.382 69.193 68.868 -0.096 0.000 1.012 393 T HN 0.371 nan 8.240 nan 0.000 0.530 394 I N 1.248 121.721 120.570 -0.162 0.000 2.769 394 I HA 0.474 4.644 4.170 0.001 0.000 0.298 394 I C -0.087 176.005 176.117 -0.041 0.000 1.128 394 I CA -0.591 60.629 61.300 -0.134 0.000 1.031 394 I CB 2.135 39.999 38.000 -0.227 0.000 1.235 394 I HN 0.981 nan 8.210 nan 0.000 0.423 395 T N 3.946 118.535 114.554 0.058 0.000 2.900 395 T HA 0.681 5.031 4.350 0.001 0.000 0.295 395 T C -0.640 174.216 174.700 0.261 0.000 1.044 395 T CA -0.547 61.651 62.100 0.162 0.000 0.995 395 T CB 2.584 71.567 68.868 0.192 0.000 1.072 395 T HN 0.318 nan 8.240 nan 0.000 0.473 396 I N 1.675 122.368 120.570 0.205 0.000 2.382 396 I HA 0.425 4.596 4.170 0.001 0.000 0.285 396 I C -0.074 176.026 176.117 -0.028 0.000 1.007 396 I CA -0.910 60.447 61.300 0.095 0.000 1.142 396 I CB 1.077 39.079 38.000 0.002 0.000 1.289 396 I HN 0.562 nan 8.210 nan 0.000 0.453 397 R N 7.882 128.266 120.500 -0.193 0.000 2.369 397 R HA 0.507 4.847 4.340 0.001 0.000 0.310 397 R C -1.053 175.062 176.300 -0.308 0.000 1.141 397 R CA -0.449 55.353 56.100 -0.497 0.000 1.116 397 R CB 0.251 29.953 30.300 -0.996 0.000 1.135 397 R HN 0.594 nan 8.270 nan 0.000 0.529 398 I N 3.762 124.207 120.570 -0.208 0.000 2.352 398 I HA 0.144 4.314 4.170 0.001 0.000 0.290 398 I C 0.013 176.032 176.117 -0.164 0.000 1.036 398 I CA -0.011 61.189 61.300 -0.166 0.000 1.336 398 I CB 1.741 39.734 38.000 -0.012 0.000 1.407 398 I HN 0.466 nan 8.210 nan 0.000 0.497 399 T N 4.537 118.981 114.554 -0.184 0.000 2.824 399 T HA 0.733 5.084 4.350 0.001 0.000 0.280 399 T C 0.234 174.858 174.700 -0.126 0.000 0.995 399 T CA -0.710 61.295 62.100 -0.158 0.000 1.009 399 T CB 1.905 70.690 68.868 -0.138 0.000 0.955 399 T HN 0.817 nan 8.240 nan 0.000 0.452 400 G N -0.005 108.721 108.800 -0.124 0.000 2.827 400 G HA2 0.605 4.566 3.960 0.001 0.000 0.296 400 G HA3 0.605 4.566 3.960 0.001 0.000 0.296 400 G C 0.683 175.542 174.900 -0.069 0.000 1.362 400 G CA -0.240 44.806 45.100 -0.089 0.000 0.809 400 G HN 0.709 nan 8.290 nan 0.000 0.522 401 A N -0.654 122.147 122.820 -0.031 0.000 2.019 401 A HA 0.075 4.395 4.320 0.001 0.000 0.219 401 A C 2.014 179.581 177.584 -0.028 0.000 1.164 401 A CA 1.841 53.870 52.037 -0.013 0.000 0.644 401 A CB -0.239 18.771 19.000 0.017 0.000 0.805 401 A HN 0.492 nan 8.150 nan 0.000 0.449 402 K N -1.903 118.469 120.400 -0.046 0.000 2.276 402 K HA 0.318 4.639 4.320 0.001 0.000 0.198 402 K C 1.032 177.516 176.600 -0.192 0.000 1.052 402 K CA 0.644 56.901 56.287 -0.049 0.000 0.984 402 K CB 0.393 32.913 32.500 0.033 0.000 0.836 402 K HN 0.489 nan 8.250 nan 0.000 0.490 403 G N 0.603 109.208 108.800 -0.326 0.000 2.441 403 G HA2 0.198 4.158 3.960 0.001 0.000 0.225 403 G HA3 0.198 4.158 3.960 0.001 0.000 0.225 403 G C -1.742 172.878 174.900 -0.468 0.000 1.200 403 G CA -0.829 43.955 45.100 -0.527 0.000 0.947 403 G HN 0.056 nan 8.290 nan 0.000 0.484 404 R N 0.169 120.327 120.500 -0.570 0.000 2.670 404 R HA 0.653 4.993 4.340 0.001 0.000 0.289 404 R C 0.105 176.223 176.300 -0.305 0.000 0.965 404 R CA 0.076 55.967 56.100 -0.350 0.000 0.899 404 R CB 1.765 31.915 30.300 -0.250 0.000 1.173 404 R HN 0.877 nan 8.270 nan 0.000 0.456 405 T N 0.091 114.537 114.554 -0.181 0.000 2.909 405 T HA 0.163 4.513 4.350 0.001 0.000 0.289 405 T C 0.119 174.752 174.700 -0.112 0.000 1.005 405 T CA -0.786 61.264 62.100 -0.082 0.000 1.084 405 T CB 1.133 69.956 68.868 -0.074 0.000 0.975 405 T HN 0.487 nan 8.240 nan 0.000 0.509 406 D N 1.008 121.391 120.400 -0.029 0.000 2.414 406 D HA 0.047 4.687 4.640 0.001 0.000 0.242 406 D C -0.229 176.057 176.300 -0.024 0.000 1.129 406 D CA 0.041 54.033 54.000 -0.013 0.000 0.885 406 D CB 0.248 41.069 40.800 0.035 0.000 1.198 406 D HN 0.609 nan 8.370 nan 0.000 0.437 407 Y N 2.445 122.733 120.300 -0.020 0.000 2.857 407 Y HA -0.087 4.464 4.550 0.001 0.000 0.373 407 Y C 0.531 176.424 175.900 -0.013 0.000 1.346 407 Y CA 0.036 58.126 58.100 -0.017 0.000 1.736 407 Y CB -0.105 38.350 38.460 -0.009 0.000 1.236 407 Y HN 0.084 nan 8.280 nan 0.000 0.507 408 L N 5.261 126.543 121.223 0.099 0.000 2.331 408 L HA 0.209 4.549 4.340 0.001 0.000 0.278 408 L C 0.452 177.359 176.870 0.062 0.000 1.106 408 L CA -0.449 54.422 54.840 0.051 0.000 0.824 408 L CB 0.655 42.713 42.059 -0.001 0.000 1.142 408 L HN 0.480 nan 8.230 nan 0.000 0.443 409 K N 4.009 124.434 120.400 0.041 0.000 2.270 409 K HA 0.507 4.827 4.320 0.001 0.000 0.276 409 K C -0.810 175.787 176.600 -0.005 0.000 1.023 409 K CA -0.293 56.006 56.287 0.021 0.000 0.955 409 K CB 0.719 33.226 32.500 0.012 0.000 0.975 409 K HN 0.508 nan 8.250 nan 0.000 0.471 419 E N 1.131 121.397 120.200 0.110 0.000 2.433 419 E HA 0.694 5.045 4.350 0.001 0.000 0.264 419 E C -0.577 176.089 176.600 0.110 0.000 0.960 419 E CA -0.817 55.598 56.400 0.024 0.000 0.866 419 E CB 1.467 31.124 29.700 -0.071 0.000 1.615 419 E HN 0.283 nan 8.360 nan 0.000 0.442 420 A N 0.400 123.271 122.820 0.086 0.000 2.558 420 A HA 0.336 4.656 4.320 0.001 0.000 0.262 420 A C 1.197 178.839 177.584 0.096 0.000 1.049 420 A CA 0.999 53.096 52.037 0.100 0.000 0.804 420 A CB -1.691 17.360 19.000 0.085 0.000 0.957 420 A HN 1.468 nan 8.150 nan 0.000 0.520 421 G N 2.692 111.550 108.800 0.097 0.000 2.350 421 G HA2 -0.037 3.924 3.960 0.001 0.000 0.298 421 G HA3 -0.037 3.924 3.960 0.001 0.000 0.298 421 G C 0.221 175.174 174.900 0.087 0.000 1.037 421 G CA 0.578 45.725 45.100 0.078 0.000 1.074 421 G HN 2.211 nan 8.290 nan 0.000 0.511 422 S N -1.046 114.723 115.700 0.116 0.000 2.449 422 S HA 0.756 5.227 4.470 0.001 0.000 0.310 422 S C -0.306 174.378 174.600 0.140 0.000 1.096 422 S CA -0.972 57.306 58.200 0.129 0.000 1.095 422 S CB 2.486 65.785 63.200 0.165 0.000 1.007 422 S HN 0.429 nan 8.310 nan 0.000 0.474 423 K N 2.480 122.948 120.400 0.112 0.000 2.206 423 K HA 0.528 4.848 4.320 0.001 0.000 0.264 423 K C -0.424 176.235 176.600 0.098 0.000 0.967 423 K CA -0.505 55.853 56.287 0.120 0.000 0.844 423 K CB 1.051 33.613 32.500 0.104 0.000 1.099 423 K HN 0.826 nan 8.250 nan 0.000 0.441 424 E N 2.569 122.849 120.200 0.133 0.000 2.390 424 E HA 0.087 4.437 4.350 0.001 0.000 0.280 424 E C -1.468 175.178 176.600 0.078 0.000 0.992 424 E CA -0.943 55.472 56.400 0.025 0.000 0.790 424 E CB 1.542 31.168 29.700 -0.123 0.000 1.248 424 E HN 0.491 nan 8.360 nan 0.000 0.447 425 Q N 1.788 121.555 119.800 -0.054 0.000 2.257 425 Q HA 0.367 4.708 4.340 0.001 0.000 0.255 425 Q C -1.513 174.442 176.000 -0.074 0.000 0.920 425 Q CA -0.497 55.338 55.803 0.054 0.000 0.927 425 Q CB 0.673 29.429 28.738 0.030 0.000 1.229 425 Q HN 0.483 nan 8.270 nan 0.000 0.433 426 Y N 0.665 120.984 120.300 0.032 0.000 2.549 426 Y HA 0.429 4.979 4.550 0.001 0.000 0.339 426 Y C -0.038 175.883 175.900 0.035 0.000 1.053 426 Y CA -1.112 57.001 58.100 0.021 0.000 1.105 426 Y CB 2.298 40.772 38.460 0.023 0.000 1.258 426 Y HN 0.438 nan 8.280 nan 0.000 0.478 427 T N 2.006 116.671 114.554 0.184 0.000 3.317 427 T HA 0.454 4.805 4.350 0.001 0.000 0.361 427 T C -0.335 174.422 174.700 0.095 0.000 1.499 427 T CA -0.627 61.544 62.100 0.118 0.000 1.529 427 T CB -0.702 68.203 68.868 0.061 0.000 0.997 427 T HN 0.505 nan 8.240 nan 0.000 0.624 428 V N 1.008 120.986 119.914 0.107 0.000 3.403 428 V HA 0.839 4.959 4.120 0.001 0.000 0.305 428 V C -0.365 175.710 176.094 -0.032 0.000 1.060 428 V CA -1.068 61.256 62.300 0.039 0.000 1.053 428 V CB 1.160 33.004 31.823 0.035 0.000 1.198 428 V HN 0.832 nan 8.190 nan 0.000 0.447 429 Q N -0.039 119.687 119.800 -0.124 0.000 2.386 429 Q HA 0.827 5.167 4.340 0.001 0.000 0.274 429 Q C -0.649 175.194 176.000 -0.262 0.000 1.011 429 Q CA -0.313 55.349 55.803 -0.235 0.000 0.867 429 Q CB 1.961 30.624 28.738 -0.125 0.000 1.409 429 Q HN 1.585 nan 8.270 nan 0.000 0.395 430 G N 0.688 109.266 108.800 -0.370 0.000 2.342 430 G HA2 0.290 4.250 3.960 0.001 0.000 0.297 430 G HA3 0.290 4.250 3.960 0.001 0.000 0.297 430 G C -1.720 173.092 174.900 -0.146 0.000 1.313 430 G CA -1.155 43.812 45.100 -0.221 0.000 0.830 430 G HN 0.751 nan 8.290 nan 0.000 0.506 431 F N 1.463 121.309 119.950 -0.173 0.000 2.232 431 F HA -0.047 4.480 4.527 0.001 0.000 0.421 431 F C 0.892 176.647 175.800 -0.074 0.000 0.928 431 F CA 0.154 58.093 58.000 -0.102 0.000 1.008 431 F CB 0.317 39.273 39.000 -0.073 0.000 0.821 431 F HN 0.497 nan 8.300 nan 0.000 0.504 432 D N 5.808 126.441 120.400 0.389 0.000 2.451 432 D HA 0.003 4.644 4.640 0.001 0.000 0.254 432 D C 0.859 177.325 176.300 0.276 0.000 1.204 432 D CA 0.033 54.218 54.000 0.309 0.000 0.896 432 D CB 1.023 41.959 40.800 0.226 0.000 1.136 432 D HN 0.313 nan 8.370 nan 0.000 0.499 433 V N 2.199 122.233 119.914 0.200 0.000 3.649 433 V HA 0.407 4.527 4.120 0.001 0.000 0.275 433 V C 1.437 177.541 176.094 0.017 0.000 1.281 433 V CA 0.602 62.910 62.300 0.014 0.000 1.143 433 V CB -0.738 31.055 31.823 -0.050 0.000 0.892 433 V HN 0.793 nan 8.190 nan 0.000 0.441 434 G N 1.601 110.446 108.800 0.075 0.000 2.596 434 G HA2 -0.427 3.533 3.960 0.001 0.000 0.304 434 G HA3 -0.427 3.533 3.960 0.001 0.000 0.304 434 G C -0.050 174.868 174.900 0.030 0.000 1.189 434 G CA 0.731 45.870 45.100 0.065 0.000 0.986 434 G HN 0.872 nan 8.290 nan 0.000 0.548 435 D N 1.123 121.561 120.400 0.063 0.000 2.382 435 D HA 0.391 5.031 4.640 0.001 0.000 0.259 435 D C 0.721 177.011 176.300 -0.016 0.000 1.224 435 D CA -0.213 53.862 54.000 0.125 0.000 0.894 435 D CB -0.018 40.874 40.800 0.154 0.000 1.127 435 D HN 0.465 nan 8.370 nan 0.000 0.487 436 I N 3.651 124.022 120.570 -0.332 0.000 2.533 436 I HA 0.012 4.182 4.170 0.001 0.000 0.284 436 I C 1.498 177.602 176.117 -0.022 0.000 1.109 436 I CA 0.433 61.460 61.300 -0.455 0.000 1.412 436 I CB 1.108 38.488 38.000 -1.032 0.000 1.396 436 I HN 0.479 nan 8.210 nan 0.000 0.543 437 Q N 6.885 126.711 119.800 0.044 0.000 2.316 437 Q HA 0.412 4.753 4.340 0.001 0.000 0.235 437 Q C -0.231 175.912 176.000 0.238 0.000 0.863 437 Q CA 0.192 56.082 55.803 0.145 0.000 0.939 437 Q CB 0.849 29.637 28.738 0.083 0.000 1.108 437 Q HN 0.712 nan 8.270 nan 0.000 0.522 438 L N -2.330 119.006 121.223 0.188 0.000 3.133 438 L HA 0.565 4.905 4.340 0.001 0.000 0.280 438 L C -1.748 175.001 176.870 -0.201 0.000 1.009 438 L CA -1.319 53.625 54.840 0.173 0.000 0.982 438 L CB 1.071 43.162 42.059 0.054 0.000 1.530 438 L HN -0.000 nan 8.230 nan 0.000 0.394 439 I N -2.325 118.013 120.570 -0.387 0.000 3.095 439 I HA 0.779 4.949 4.170 0.001 0.000 0.310 439 I C -1.524 174.402 176.117 -0.320 0.000 1.196 439 I CA -0.580 60.448 61.300 -0.454 0.000 0.985 439 I CB 2.538 40.099 38.000 -0.731 0.000 1.250 439 I HN 0.769 nan 8.210 nan 0.000 0.446 440 E N 3.846 123.911 120.200 -0.225 0.000 2.241 440 E HA 0.572 4.922 4.350 0.001 0.000 0.263 440 E C -1.345 175.270 176.600 0.025 0.000 0.882 440 E CA -0.756 55.585 56.400 -0.099 0.000 0.769 440 E CB 2.833 32.501 29.700 -0.053 0.000 1.185 440 E HN 0.447 nan 8.360 nan 0.000 0.415 441 L N 1.946 123.205 121.223 0.059 0.000 2.456 441 L HA 0.411 4.752 4.340 0.001 0.000 0.257 441 L C -0.216 176.826 176.870 0.287 0.000 1.162 441 L CA -0.477 54.466 54.840 0.171 0.000 0.808 441 L CB 0.432 42.586 42.059 0.159 0.000 1.136 441 L HN 0.611 nan 8.230 nan 0.000 0.466 442 H N 0.505 119.661 119.070 0.144 0.000 3.198 442 H HA 0.237 4.793 4.556 0.001 0.000 0.317 442 H C -0.634 174.710 175.328 0.028 0.000 1.178 442 H CA -0.396 55.680 56.048 0.046 0.000 1.609 442 H CB 1.226 30.915 29.762 -0.122 0.000 1.819 442 H HN 0.525 nan 8.280 nan 0.000 0.533 443 S N 1.645 117.251 115.700 -0.157 0.000 2.634 443 S HA 0.155 4.626 4.470 0.001 0.000 0.261 443 S C 0.850 175.149 174.600 -0.502 0.000 1.271 443 S CA 0.429 58.499 58.200 -0.216 0.000 0.985 443 S CB 0.634 63.833 63.200 -0.002 0.000 0.968 443 S HN 0.864 nan 8.310 nan 0.000 0.568 444 D N -1.236 118.978 120.400 -0.309 0.000 2.449 444 D HA 0.220 4.861 4.640 0.001 0.000 0.255 444 D C 1.107 177.329 176.300 -0.130 0.000 1.121 444 D CA 0.922 54.758 54.000 -0.272 0.000 0.830 444 D CB -0.199 40.454 40.800 -0.244 0.000 1.280 444 D HN 0.937 nan 8.370 nan 0.000 0.522 445 G N 0.315 109.058 108.800 -0.095 0.000 2.339 445 G HA2 0.105 4.065 3.960 0.001 0.000 0.209 445 G HA3 0.105 4.065 3.960 0.001 0.000 0.209 445 G C 1.131 176.002 174.900 -0.050 0.000 1.015 445 G CA 0.697 45.764 45.100 -0.055 0.000 0.635 445 G HN 1.396 nan 8.290 nan 0.000 0.499 446 G N -0.741 108.025 108.800 -0.057 0.000 2.499 446 G HA2 0.500 4.460 3.960 0.001 0.000 0.232 446 G HA3 0.500 4.460 3.960 0.001 0.000 0.232 446 G C 0.949 175.827 174.900 -0.037 0.000 1.251 446 G CA 1.036 46.108 45.100 -0.047 0.000 0.917 446 G HN 2.626 nan 8.290 nan 0.000 0.580 451 G N 1.256 110.024 108.800 -0.054 0.000 2.798 451 G HA2 0.333 4.294 3.960 0.001 0.000 0.202 451 G HA3 0.333 4.294 3.960 0.001 0.000 0.202 451 G C -0.701 174.167 174.900 -0.052 0.000 1.149 451 G CA 0.266 45.331 45.100 -0.057 0.000 0.713 451 G HN 0.622 nan 8.290 nan 0.000 0.749 452 D N 0.040 120.401 120.400 -0.064 0.000 2.479 452 D HA 0.368 5.008 4.640 0.001 0.000 0.246 452 D C -1.935 174.375 176.300 0.016 0.000 1.336 452 D CA -1.539 52.449 54.000 -0.020 0.000 0.967 452 D CB 2.718 43.502 40.800 -0.027 0.000 1.275 452 D HN 0.042 nan 8.370 nan 0.000 0.577 453 P HA 0.115 nan 4.420 nan 0.000 0.239 453 P C -0.124 177.256 177.300 0.132 0.000 1.188 453 P CA -0.048 63.074 63.100 0.037 0.000 0.794 453 P CB 0.672 32.374 31.700 0.003 0.000 0.937 454 D N 0.232 120.745 120.400 0.188 0.000 2.400 454 D HA 0.055 4.695 4.640 0.001 0.000 0.238 454 D C -0.575 176.132 176.300 0.678 0.000 1.157 454 D CA 0.625 54.849 54.000 0.373 0.000 0.889 454 D CB 0.246 41.164 40.800 0.197 0.000 1.199 454 D HN 0.083 nan 8.370 nan 0.000 0.436 455 W N 3.379 124.992 121.300 0.523 0.000 2.687 455 W HA 0.328 4.989 4.660 0.001 0.000 0.328 455 W C -1.825 174.773 176.519 0.132 0.000 1.012 455 W CA -1.464 56.050 57.345 0.282 0.000 1.262 455 W CB 0.411 29.951 29.460 0.134 0.000 1.331 455 W HN 0.149 nan 8.180 nan 0.000 0.433 456 F N 7.519 127.203 119.950 -0.444 0.000 2.351 456 F HA 0.485 5.012 4.527 0.001 0.000 0.362 456 F C -0.556 174.779 175.800 -0.775 0.000 1.131 456 F CA -0.844 56.575 58.000 -0.967 0.000 1.187 456 F CB 0.279 38.282 39.000 -1.660 0.000 1.434 456 F HN -0.057 nan 8.300 nan 0.000 0.553 457 V N 7.574 126.746 119.914 -1.235 0.000 2.455 457 V HA 0.075 4.195 4.120 0.001 0.000 0.273 457 V C 1.077 176.438 176.094 -1.221 0.000 1.045 457 V CA -0.041 61.535 62.300 -1.206 0.000 0.976 457 V CB 0.810 31.932 31.823 -1.168 0.000 0.993 457 V HN 0.791 nan 8.190 nan 0.000 0.475 458 N N 3.732 121.768 118.700 -1.106 0.000 2.051 458 N HA -0.026 4.714 4.740 0.001 0.000 0.192 458 N C 0.665 175.530 175.510 -1.075 0.000 1.049 458 N CA 1.116 53.342 53.050 -1.373 0.000 0.845 458 N CB 0.167 38.093 38.487 -0.935 0.000 1.031 458 N HN 0.772 nan 8.380 nan 0.000 0.425 459 R N -1.035 119.122 120.500 -0.571 0.000 2.766 459 R HA 0.642 4.983 4.340 0.001 0.000 0.270 459 R C -1.928 174.291 176.300 -0.135 0.000 1.035 459 R CA -0.901 55.034 56.100 -0.274 0.000 0.911 459 R CB 1.407 31.634 30.300 -0.122 0.000 1.243 459 R HN -0.224 nan 8.270 nan 0.000 0.460 460 V N 1.228 121.149 119.914 0.010 0.000 2.789 460 V HA 0.555 4.676 4.120 0.001 0.000 0.311 460 V C -0.773 175.456 176.094 0.226 0.000 1.073 460 V CA -0.719 61.628 62.300 0.079 0.000 0.921 460 V CB 1.935 33.763 31.823 0.009 0.000 1.009 460 V HN 0.646 nan 8.190 nan 0.000 0.426 461 I N 4.845 125.553 120.570 0.230 0.000 2.476 461 I HA 0.497 4.667 4.170 0.001 0.000 0.281 461 I C -0.547 175.726 176.117 0.261 0.000 1.040 461 I CA -0.211 61.269 61.300 0.300 0.000 1.094 461 I CB 1.524 39.719 38.000 0.326 0.000 1.219 461 I HN 0.387 nan 8.210 nan 0.000 0.450 462 I N 5.945 126.708 120.570 0.322 0.000 2.532 462 I HA 0.389 4.560 4.170 0.001 0.000 0.292 462 I C -0.215 176.050 176.117 0.247 0.000 1.014 462 I CA -0.607 60.820 61.300 0.213 0.000 1.340 462 I CB 1.435 39.495 38.000 0.101 0.000 1.422 462 I HN 0.384 nan 8.210 nan 0.000 0.528 463 I N 4.366 125.013 120.570 0.129 0.000 2.517 463 I HA 0.157 4.327 4.170 0.001 0.000 0.280 463 I C -0.197 175.937 176.117 0.027 0.000 1.061 463 I CA -0.118 61.261 61.300 0.131 0.000 1.091 463 I CB 1.303 39.353 38.000 0.084 0.000 1.205 463 I HN 0.432 nan 8.210 nan 0.000 0.459 464 S N 2.810 118.515 115.700 0.008 0.000 2.537 464 S HA 0.278 4.748 4.470 0.001 0.000 0.275 464 S C 1.293 175.918 174.600 0.042 0.000 1.272 464 S CA -0.244 57.891 58.200 -0.108 0.000 1.050 464 S CB 1.099 64.161 63.200 -0.230 0.000 0.961 464 S HN 0.599 nan 8.310 nan 0.000 0.496 465 S N 2.746 118.493 115.700 0.079 0.000 2.423 465 S HA -0.094 4.377 4.470 0.001 0.000 0.231 465 S C 2.043 176.673 174.600 0.050 0.000 1.014 465 S CA 1.496 59.722 58.200 0.044 0.000 0.965 465 S CB -0.377 62.860 63.200 0.060 0.000 0.785 465 S HN 0.962 nan 8.310 nan 0.000 0.495 466 T N -0.239 114.370 114.554 0.091 0.000 2.896 466 T HA 0.059 4.409 4.350 0.001 0.000 0.263 466 T C 0.669 175.427 174.700 0.097 0.000 1.050 466 T CA 0.539 62.693 62.100 0.090 0.000 1.140 466 T CB -0.050 68.884 68.868 0.110 0.000 0.877 466 T HN 0.165 nan 8.240 nan 0.000 0.457 467 Q N 1.736 121.611 119.800 0.125 0.000 2.312 467 Q HA 0.374 4.715 4.340 0.001 0.000 0.263 467 Q C -1.434 174.683 176.000 0.195 0.000 0.995 467 Q CA -0.509 55.389 55.803 0.159 0.000 0.853 467 Q CB 1.677 30.543 28.738 0.214 0.000 1.300 467 Q HN 0.244 nan 8.270 nan 0.000 0.448 468 D N 2.795 123.307 120.400 0.186 0.000 2.551 468 D HA 0.249 4.889 4.640 0.001 0.000 0.223 468 D C -0.264 176.108 176.300 0.119 0.000 1.144 468 D CA 0.312 54.473 54.000 0.268 0.000 1.025 468 D CB 0.153 41.074 40.800 0.201 0.000 1.085 468 D HN 0.202 nan 8.370 nan 0.000 0.506 469 R N -0.396 120.176 120.500 0.120 0.000 2.739 469 R HA 0.309 4.649 4.340 0.001 0.000 0.266 469 R C -1.137 175.109 176.300 -0.091 0.000 1.044 469 R CA -0.872 55.165 56.100 -0.105 0.000 0.885 469 R CB 1.388 31.498 30.300 -0.317 0.000 1.260 469 R HN 0.100 nan 8.270 nan 0.000 0.477 470 V N -0.522 119.300 119.914 -0.153 0.000 2.716 470 V HA 0.618 4.738 4.120 0.001 0.000 0.304 470 V C -1.145 174.787 176.094 -0.271 0.000 1.053 470 V CA -0.387 61.889 62.300 -0.039 0.000 0.984 470 V CB 1.300 33.198 31.823 0.125 0.000 1.021 470 V HN 0.672 nan 8.190 nan 0.000 0.467 471 Y N 1.895 122.255 120.300 0.100 0.000 2.686 471 Y HA 0.528 5.078 4.550 0.001 0.000 0.331 471 Y C 0.748 176.655 175.900 0.012 0.000 0.996 471 Y CA -0.371 57.753 58.100 0.040 0.000 1.293 471 Y CB 1.379 40.016 38.460 0.295 0.000 1.092 471 Y HN 0.743 nan 8.280 nan 0.000 0.524 472 S N 3.532 119.184 115.700 -0.080 0.000 2.531 472 S HA 0.304 4.774 4.470 0.001 0.000 0.279 472 S C -0.654 173.741 174.600 -0.342 0.000 1.305 472 S CA -0.021 58.141 58.200 -0.063 0.000 1.058 472 S CB -0.035 63.123 63.200 -0.070 0.000 0.899 472 S HN 0.437 nan 8.310 nan 0.000 0.493 473 F N 4.278 124.266 119.950 0.063 0.000 2.660 473 F HA 0.306 4.833 4.527 0.001 0.000 0.352 473 F C -2.176 173.620 175.800 -0.007 0.000 1.257 473 F CA -2.027 55.989 58.000 0.027 0.000 1.200 473 F CB 1.104 40.103 39.000 -0.002 0.000 1.473 473 F HN 0.328 nan 8.300 nan 0.000 0.561 474 P HA 0.073 nan 4.420 nan 0.000 0.269 474 P C 0.012 177.386 177.300 0.123 0.000 1.215 474 P CA 0.171 63.350 63.100 0.131 0.000 0.780 474 P CB 2.574 34.379 31.700 0.175 0.000 0.898 475 C N 1.896 121.261 119.300 0.109 0.000 3.310 475 C HA 0.328 4.789 4.460 0.001 0.000 0.137 475 C C -0.092 175.048 174.990 0.249 0.000 2.665 475 C CA 0.109 59.148 59.018 0.034 0.000 0.894 475 C CB -1.227 26.373 27.740 -0.234 0.000 1.354 475 C HN 0.514 nan 8.230 nan 0.000 0.683 476 F N 1.965 121.747 119.950 -0.281 0.000 3.074 476 F HA -0.082 4.446 4.527 0.001 0.000 0.287 476 F C 0.146 176.028 175.800 0.136 0.000 0.932 476 F CA 1.043 58.876 58.000 -0.279 0.000 0.995 476 F CB -1.799 37.201 39.000 -0.000 0.000 0.966 476 F HN 0.465 nan 8.300 nan 0.000 0.721 477 R N -1.555 119.023 120.500 0.130 0.000 2.651 477 R HA 0.397 4.737 4.340 0.001 0.000 0.278 477 R C -1.015 175.443 176.300 0.263 0.000 1.010 477 R CA -1.079 55.252 56.100 0.385 0.000 0.896 477 R CB 1.108 31.625 30.300 0.360 0.000 1.211 477 R HN 0.103 nan 8.270 nan 0.000 0.456 478 W N 1.943 123.464 121.300 0.368 0.000 2.264 478 W HA 0.094 4.755 4.660 0.001 0.000 0.331 478 W C 0.310 176.907 176.519 0.130 0.000 1.364 478 W CA -0.079 57.424 57.345 0.264 0.000 1.253 478 W CB 0.468 30.054 29.460 0.211 0.000 1.215 478 W HN 0.141 nan 8.180 nan 0.000 0.561 479 V N 7.213 127.313 119.914 0.310 0.000 2.338 479 V HA 0.029 4.149 4.120 0.001 0.000 0.255 479 V C 0.932 177.220 176.094 0.323 0.000 1.082 479 V CA -0.028 62.425 62.300 0.256 0.000 0.951 479 V CB -0.465 31.490 31.823 0.220 0.000 1.102 479 V HN 0.647 nan 8.190 nan 0.000 0.489 480 I N 3.941 124.651 120.570 0.233 0.000 2.594 480 I HA -0.010 4.160 4.170 0.001 0.000 0.237 480 I C 2.100 178.283 176.117 0.110 0.000 1.071 480 I CA 0.757 62.155 61.300 0.164 0.000 1.427 480 I CB -0.005 38.052 38.000 0.096 0.000 1.218 480 I HN 0.586 nan 8.210 nan 0.000 0.444 481 K N -0.325 120.137 120.400 0.102 0.000 2.290 481 K HA 0.259 4.579 4.320 0.001 0.000 0.225 481 K C 0.003 176.712 176.600 0.182 0.000 1.060 481 K CA 0.059 56.405 56.287 0.099 0.000 0.903 481 K CB 0.045 32.601 32.500 0.093 0.000 1.158 481 K HN -0.012 nan 8.250 nan 0.000 0.460 482 D N 0.473 120.983 120.400 0.183 0.000 2.457 482 D HA 0.369 5.009 4.640 0.001 0.000 0.240 482 D C -1.426 174.951 176.300 0.129 0.000 1.041 482 D CA -0.470 53.646 54.000 0.194 0.000 0.861 482 D CB 2.377 43.266 40.800 0.148 0.000 1.394 482 D HN 0.101 nan 8.370 nan 0.000 0.473 483 M N 2.116 121.779 119.600 0.105 0.000 2.206 483 M HA 0.260 4.741 4.480 0.001 0.000 0.272 483 M C -2.220 174.070 176.300 -0.017 0.000 1.012 483 M CA -0.504 54.827 55.300 0.051 0.000 0.986 483 M CB 1.625 34.252 32.600 0.045 0.000 1.740 483 M HN -0.001 nan 8.290 nan 0.000 0.472 484 V N 6.363 126.236 119.914 -0.068 0.000 2.432 484 V HA 0.523 4.644 4.120 0.001 0.000 0.275 484 V C -0.295 175.624 176.094 -0.292 0.000 1.043 484 V CA -0.447 61.730 62.300 -0.204 0.000 0.925 484 V CB 1.142 32.815 31.823 -0.249 0.000 0.985 484 V HN 0.811 nan 8.190 nan 0.000 0.466 485 L N 5.009 126.045 121.223 -0.313 0.000 2.346 485 L HA 0.632 4.972 4.340 0.001 0.000 0.274 485 L C -0.795 175.955 176.870 -0.200 0.000 1.007 485 L CA -0.401 54.327 54.840 -0.187 0.000 0.818 485 L CB 1.851 43.895 42.059 -0.024 0.000 1.284 485 L HN 0.428 nan 8.230 nan 0.000 0.424 486 F N 2.057 122.115 119.950 0.179 0.000 2.432 486 F HA 0.510 5.038 4.527 0.001 0.000 0.329 486 F C -1.708 174.158 175.800 0.109 0.000 1.076 486 F CA -2.157 55.947 58.000 0.172 0.000 1.018 486 F CB 0.477 39.478 39.000 0.003 0.000 1.201 486 F HN 0.262 nan 8.300 nan 0.000 0.489 487 P HA 0.018 nan 4.420 nan 0.000 0.272 487 P C 0.554 177.695 177.300 -0.264 0.000 1.248 487 P CA 0.181 62.950 63.100 -0.552 0.000 0.799 487 P CB 0.345 31.852 31.700 -0.322 0.000 0.997 488 G N 0.509 109.127 108.800 -0.304 0.000 2.844 488 G HA2 -0.213 3.748 3.960 0.001 0.000 0.211 488 G HA3 -0.213 3.748 3.960 0.001 0.000 0.211 488 G C -0.254 174.577 174.900 -0.114 0.000 1.368 488 G CA 0.460 45.462 45.100 -0.163 0.000 0.815 488 G HN 0.568 nan 8.290 nan 0.000 0.649 489 E N 1.213 121.353 120.200 -0.101 0.000 3.197 489 E HA 0.315 4.666 4.350 0.001 0.000 0.251 489 E C 0.577 177.084 176.600 -0.155 0.000 0.912 489 E CA 0.373 56.725 56.400 -0.080 0.000 0.960 489 E CB 0.184 29.839 29.700 -0.074 0.000 0.897 489 E HN 0.565 nan 8.360 nan 0.000 0.550 490 A N 3.834 126.529 122.820 -0.209 0.000 2.371 490 A HA 0.554 4.874 4.320 0.001 0.000 0.257 490 A C 0.403 177.672 177.584 -0.526 0.000 1.089 490 A CA 0.020 51.813 52.037 -0.406 0.000 0.794 490 A CB 0.496 19.177 19.000 -0.531 0.000 1.029 490 A HN 0.635 nan 8.150 nan 0.000 0.488 491 T N -0.592 113.627 114.554 -0.558 0.000 2.883 491 T HA 0.673 5.023 4.350 0.001 0.000 0.296 491 T C -0.472 173.792 174.700 -0.727 0.000 1.117 491 T CA -0.748 61.011 62.100 -0.569 0.000 1.006 491 T CB 0.678 69.293 68.868 -0.422 0.000 1.191 491 T HN 0.455 nan 8.240 nan 0.000 0.508 492 L N 1.600 122.356 121.223 -0.779 0.000 2.375 492 L HA 0.411 4.752 4.340 0.001 0.000 0.268 492 L C -1.411 174.945 176.870 -0.856 0.000 1.058 492 L CA -2.584 51.679 54.840 -0.961 0.000 0.803 492 L CB 1.132 42.523 42.059 -1.112 0.000 1.212 492 L HN 0.445 nan 8.230 nan 0.000 0.451 493 P HA -0.265 nan 4.420 nan 0.000 0.221 493 P C 0.904 178.003 177.300 -0.334 0.000 1.160 493 P CA 1.874 64.732 63.100 -0.403 0.000 0.933 493 P CB -0.064 31.512 31.700 -0.207 0.000 0.793 494 F N -1.464 118.437 119.950 -0.081 0.000 2.038 494 F HA 0.076 4.603 4.527 0.001 0.000 0.288 494 F C 1.495 177.241 175.800 -0.090 0.000 1.296 494 F CA 0.599 58.559 58.000 -0.066 0.000 1.133 494 F CB -1.949 37.028 39.000 -0.038 0.000 0.969 494 F HN -0.124 nan 8.300 nan 0.000 0.499 495 N N 0.094 119.036 118.700 0.404 0.000 2.809 495 N HA -0.319 4.422 4.740 0.001 0.000 0.244 495 N C -0.827 174.732 175.510 0.082 0.000 1.018 495 N CA 0.969 54.124 53.050 0.175 0.000 0.917 495 N CB -1.316 37.132 38.487 -0.066 0.000 1.130 495 N HN 0.794 nan 8.380 nan 0.000 0.591 496 E N -2.220 118.037 120.200 0.095 0.000 3.730 496 E HA -0.162 4.188 4.350 0.001 0.000 0.210 496 E C -0.673 175.930 176.600 0.005 0.000 2.009 496 E CA 0.935 57.361 56.400 0.043 0.000 0.925 496 E CB -1.300 28.422 29.700 0.038 0.000 0.994 496 E HN 0.395 nan 8.360 nan 0.000 0.339 497 V N -0.215 119.693 119.914 -0.010 0.000 3.001 497 V HA 0.850 4.971 4.120 0.001 0.000 0.314 497 V C -2.141 173.950 176.094 -0.006 0.000 1.099 497 V CA -2.643 59.645 62.300 -0.021 0.000 0.989 497 V CB 1.616 33.404 31.823 -0.058 0.000 1.040 497 V HN 0.497 nan 8.190 nan 0.000 0.434 498 P HA 0.169 nan 4.420 nan 0.000 0.263 498 P C 1.072 178.380 177.300 0.013 0.000 1.175 498 P CA 0.790 63.897 63.100 0.011 0.000 0.761 498 P CB 0.685 32.396 31.700 0.018 0.000 0.794 499 A N 3.685 126.513 122.820 0.013 0.000 1.944 499 A HA -0.288 4.032 4.320 0.001 0.000 0.222 499 A C 1.914 179.509 177.584 0.019 0.000 1.237 499 A CA 2.422 54.468 52.037 0.014 0.000 0.668 499 A CB -1.471 17.536 19.000 0.012 0.000 0.830 499 A HN 0.663 nan 8.150 nan 0.000 0.471 500 I N -0.785 119.797 120.570 0.021 0.000 2.500 500 I HA -0.080 4.091 4.170 0.001 0.000 0.252 500 I C 2.051 178.204 176.117 0.061 0.000 1.142 500 I CA 1.180 62.497 61.300 0.029 0.000 1.451 500 I CB -0.092 37.914 38.000 0.010 0.000 1.093 500 I HN 0.091 nan 8.210 nan 0.000 0.430 501 V N 0.670 120.624 119.914 0.067 0.000 2.282 501 V HA -0.307 3.814 4.120 0.001 0.000 0.249 501 V C 2.598 178.747 176.094 0.092 0.000 1.057 501 V CA 2.349 64.718 62.300 0.115 0.000 1.032 501 V CB -1.436 30.421 31.823 0.056 0.000 0.645 501 V HN 0.512 nan 8.190 nan 0.000 0.447 502 S N -0.830 114.884 115.700 0.024 0.000 2.355 502 S HA -0.187 4.283 4.470 0.001 0.000 0.222 502 S C 1.917 176.540 174.600 0.039 0.000 1.031 502 S CA 1.225 59.425 58.200 -0.000 0.000 0.993 502 S CB -0.375 62.821 63.200 -0.007 0.000 0.859 502 S HN 0.606 nan 8.310 nan 0.000 0.453 503 E N 1.234 121.463 120.200 0.048 0.000 2.095 503 E HA -0.232 4.118 4.350 0.001 0.000 0.212 503 E C 2.238 178.886 176.600 0.080 0.000 1.044 503 E CA 1.323 57.755 56.400 0.052 0.000 0.857 503 E CB -0.351 29.373 29.700 0.040 0.000 0.764 503 E HN 0.422 nan 8.360 nan 0.000 0.462 504 Q N 0.047 119.919 119.800 0.121 0.000 2.119 504 Q HA -0.112 4.228 4.340 0.001 0.000 0.201 504 Q C 2.225 178.381 176.000 0.260 0.000 0.972 504 Q CA 0.908 56.811 55.803 0.166 0.000 0.847 504 Q CB -0.308 28.530 28.738 0.167 0.000 0.903 504 Q HN 0.236 nan 8.270 nan 0.000 0.433 505 R N 0.626 121.288 120.500 0.269 0.000 2.073 505 R HA -0.175 4.165 4.340 0.001 0.000 0.234 505 R C 2.227 178.582 176.300 0.091 0.000 1.134 505 R CA 1.712 57.901 56.100 0.148 0.000 0.952 505 R CB 0.025 30.244 30.300 -0.135 0.000 0.850 505 R HN 0.291 nan 8.270 nan 0.000 0.433 506 Q N 0.164 120.003 119.800 0.064 0.000 2.112 506 Q HA -0.231 4.109 4.340 0.001 0.000 0.206 506 Q C 2.118 178.164 176.000 0.077 0.000 0.987 506 Q CA 2.099 57.938 55.803 0.059 0.000 0.858 506 Q CB -0.085 28.683 28.738 0.050 0.000 0.905 506 Q HN 0.318 nan 8.270 nan 0.000 0.420 507 K N 0.665 121.118 120.400 0.087 0.000 2.009 507 K HA -0.229 4.091 4.320 0.001 0.000 0.210 507 K C 2.079 178.738 176.600 0.099 0.000 1.049 507 K CA 1.480 57.818 56.287 0.084 0.000 0.929 507 K CB -0.122 32.423 32.500 0.075 0.000 0.714 507 K HN 0.228 nan 8.250 nan 0.000 0.440 508 E N 0.939 121.214 120.200 0.126 0.000 2.035 508 E HA -0.257 4.094 4.350 0.001 0.000 0.204 508 E C 2.030 178.710 176.600 0.133 0.000 1.025 508 E CA 1.654 58.136 56.400 0.138 0.000 0.835 508 E CB -0.127 29.680 29.700 0.179 0.000 0.764 508 E HN 0.181 nan 8.360 nan 0.000 0.457 509 L N 0.653 121.946 121.223 0.116 0.000 1.990 509 L HA -0.265 4.076 4.340 0.001 0.000 0.213 509 L C 2.605 179.548 176.870 0.121 0.000 1.072 509 L CA 1.846 56.756 54.840 0.117 0.000 0.755 509 L CB -0.671 41.444 42.059 0.093 0.000 0.889 509 L HN 0.236 nan 8.230 nan 0.000 0.432 510 E N -0.261 120.000 120.200 0.101 0.000 2.068 510 E HA -0.375 3.975 4.350 0.001 0.000 0.207 510 E C 2.159 178.818 176.600 0.100 0.000 1.032 510 E CA 2.073 58.528 56.400 0.092 0.000 0.839 510 E CB -0.213 29.533 29.700 0.076 0.000 0.758 510 E HN 0.400 nan 8.360 nan 0.000 0.457 511 Q N 0.831 120.692 119.800 0.103 0.000 2.170 511 Q HA -0.152 4.188 4.340 0.001 0.000 0.203 511 Q C 1.903 177.985 176.000 0.137 0.000 0.976 511 Q CA 1.361 57.225 55.803 0.102 0.000 0.858 511 Q CB 0.048 28.842 28.738 0.094 0.000 0.907 511 Q HN 0.049 nan 8.270 nan 0.000 0.433 512 R N 0.213 120.826 120.500 0.188 0.000 2.127 512 R HA -0.093 4.247 4.340 0.001 0.000 0.238 512 R C 1.795 178.263 176.300 0.279 0.000 1.134 512 R CA 1.396 57.673 56.100 0.296 0.000 0.975 512 R CB -0.217 30.261 30.300 0.297 0.000 0.865 512 R HN 0.205 nan 8.270 nan 0.000 0.447 513 K N 0.208 120.717 120.400 0.180 0.000 2.439 513 K HA -0.019 4.302 4.320 0.001 0.000 0.197 513 K C 1.713 178.374 176.600 0.102 0.000 1.041 513 K CA 0.391 56.765 56.287 0.145 0.000 0.970 513 K CB -0.043 32.532 32.500 0.125 0.000 0.773 513 K HN -0.027 nan 8.250 nan 0.000 0.479 514 L N -0.162 121.110 121.223 0.082 0.000 2.209 514 L HA -0.055 4.285 4.340 0.001 0.000 0.207 514 L C 2.078 178.933 176.870 -0.025 0.000 1.094 514 L CA 1.587 56.446 54.840 0.032 0.000 0.790 514 L CB -0.541 41.536 42.059 0.029 0.000 0.932 514 L HN 0.338 nan 8.230 nan 0.000 0.447 515 T N -4.825 109.694 114.554 -0.058 0.000 3.042 515 T HA 0.039 4.389 4.350 0.001 0.000 0.245 515 T C 0.316 174.785 174.700 -0.385 0.000 1.029 515 T CA 0.097 62.040 62.100 -0.262 0.000 1.120 515 T CB -0.318 68.305 68.868 -0.408 0.000 0.917 515 T HN -0.012 nan 8.240 nan 0.000 0.467 516 Y N 2.474 122.733 120.300 -0.069 0.000 2.504 516 Y HA 0.628 5.179 4.550 0.001 0.000 0.339 516 Y C 0.571 176.384 175.900 -0.145 0.000 0.974 516 Y CA -1.015 57.015 58.100 -0.117 0.000 1.232 516 Y CB 0.666 39.079 38.460 -0.079 0.000 1.108 516 Y HN 0.201 nan 8.280 nan 0.000 0.509 517 Q N 1.360 121.127 119.800 -0.055 0.000 2.306 517 Q HA 0.391 4.731 4.340 0.001 0.000 0.269 517 Q C -1.121 174.783 176.000 -0.160 0.000 1.053 517 Q CA -1.061 54.702 55.803 -0.068 0.000 0.879 517 Q CB 2.066 30.805 28.738 0.002 0.000 1.344 517 Q HN 0.643 nan 8.270 nan 0.000 0.464 518 W N 0.588 121.842 121.300 -0.077 0.000 2.313 518 W HA 0.335 4.995 4.660 0.001 0.000 0.328 518 W C 0.089 176.386 176.519 -0.370 0.000 1.197 518 W CA 0.241 57.441 57.345 -0.243 0.000 1.235 518 W CB 1.007 30.315 29.460 -0.255 0.000 1.158 518 W HN 0.409 nan 8.180 nan 0.000 0.578 519 D N 0.390 120.629 120.400 -0.269 0.000 2.599 519 D HA 0.349 4.990 4.640 0.001 0.000 0.252 519 D C -1.866 174.104 176.300 -0.551 0.000 1.232 519 D CA -0.696 53.087 54.000 -0.362 0.000 0.819 519 D CB 2.054 42.792 40.800 -0.103 0.000 1.401 519 D HN 0.265 nan 8.370 nan 0.000 0.429 520 Y N 0.023 120.373 120.300 0.082 0.000 2.433 520 Y HA 0.227 4.778 4.550 0.001 0.000 0.337 520 Y C 1.162 177.071 175.900 0.015 0.000 1.026 520 Y CA -0.945 57.178 58.100 0.040 0.000 1.037 520 Y CB 1.633 40.099 38.460 0.011 0.000 1.245 520 Y HN 0.041 nan 8.280 nan 0.000 0.443 521 V N 0.904 120.898 119.914 0.134 0.000 2.261 521 V HA -0.162 3.958 4.120 0.001 0.000 0.246 521 V C 0.786 176.922 176.094 0.070 0.000 1.047 521 V CA 2.020 64.363 62.300 0.071 0.000 1.015 521 V CB -0.393 31.449 31.823 0.031 0.000 0.642 521 V HN 0.830 nan 8.190 nan 0.000 0.446 522 S N -2.306 113.434 115.700 0.066 0.000 2.618 522 S HA 0.352 4.823 4.470 0.001 0.000 0.277 522 S C 0.121 174.739 174.600 0.030 0.000 1.138 522 S CA -0.567 57.658 58.200 0.042 0.000 0.844 522 S CB 1.712 64.925 63.200 0.021 0.000 1.127 522 S HN 0.149 nan 8.310 nan 0.000 0.474 523 D N 0.638 121.043 120.400 0.008 0.000 2.271 523 D HA -0.088 4.552 4.640 0.001 0.000 0.207 523 D C 0.363 176.711 176.300 0.078 0.000 0.983 523 D CA 1.574 55.566 54.000 -0.014 0.000 0.878 523 D CB -0.163 40.636 40.800 -0.001 0.000 0.920 523 D HN 0.661 nan 8.370 nan 0.000 0.479 524 D N -1.397 119.077 120.400 0.123 0.000 2.398 524 D HA 0.062 4.703 4.640 0.001 0.000 0.210 524 D C 0.395 176.823 176.300 0.213 0.000 1.094 524 D CA -0.065 54.098 54.000 0.272 0.000 0.839 524 D CB 0.487 41.336 40.800 0.082 0.000 0.963 524 D HN -0.001 nan 8.370 nan 0.000 0.506 525 M N 1.502 121.102 119.600 -0.000 0.000 2.342 525 M HA 0.328 4.809 4.480 0.001 0.000 0.332 525 M C -2.249 173.802 176.300 -0.414 0.000 1.166 525 M CA -2.652 52.492 55.300 -0.260 0.000 1.086 525 M CB 0.552 33.079 32.600 -0.122 0.000 1.541 525 M HN -0.220 nan 8.290 nan 0.000 0.462 526 P HA 0.080 nan 4.420 nan 0.000 0.269 526 P C 0.114 177.448 177.300 0.055 0.000 1.217 526 P CA -0.168 62.631 63.100 -0.502 0.000 0.783 526 P CB 0.147 31.460 31.700 -0.646 0.000 0.898 527 G N 1.693 110.671 108.800 0.297 0.000 2.544 527 G HA2 0.273 4.233 3.960 0.001 0.000 0.242 527 G HA3 0.273 4.233 3.960 0.001 0.000 0.242 527 G C -0.068 175.076 174.900 0.406 0.000 1.247 527 G CA -0.522 44.809 45.100 0.385 0.000 0.840 527 G HN 0.791 nan 8.290 nan 0.000 0.578 528 N N -0.035 118.800 118.700 0.224 0.000 2.647 528 N HA 0.286 5.027 4.740 0.001 0.000 0.266 528 N C -1.131 174.353 175.510 -0.043 0.000 1.373 528 N CA -0.953 52.147 53.050 0.083 0.000 0.807 528 N CB 2.203 40.709 38.487 0.032 0.000 1.513 528 N HN 0.459 nan 8.380 nan 0.000 0.505 529 I N 0.256 120.777 120.570 -0.083 0.000 2.496 529 I HA 0.078 4.248 4.170 0.001 0.000 0.285 529 I C 0.522 176.580 176.117 -0.098 0.000 1.080 529 I CA -0.325 60.902 61.300 -0.122 0.000 1.404 529 I CB 0.452 38.403 38.000 -0.083 0.000 1.403 529 I HN 0.466 nan 8.210 nan 0.000 0.539 530 K N 7.010 127.347 120.400 -0.104 0.000 2.349 530 K HA 0.573 4.894 4.320 0.001 0.000 0.289 530 K C -1.004 175.542 176.600 -0.090 0.000 1.064 530 K CA -0.030 56.209 56.287 -0.081 0.000 0.947 530 K CB 0.342 32.805 32.500 -0.061 0.000 1.007 530 K HN 0.771 nan 8.250 nan 0.000 0.478 531 A N 3.846 126.619 122.820 -0.078 0.000 2.581 531 A HA 0.180 4.501 4.320 0.001 0.000 0.294 531 A C -0.384 177.162 177.584 -0.062 0.000 1.035 531 A CA -0.813 51.174 52.037 -0.083 0.000 0.684 531 A CB 1.201 20.137 19.000 -0.107 0.000 1.282 531 A HN 0.763 nan 8.150 nan 0.000 0.417 532 K N -0.450 119.916 120.400 -0.057 0.000 2.244 532 K HA 0.183 4.503 4.320 0.001 0.000 0.200 532 K C 0.766 177.342 176.600 -0.040 0.000 1.052 532 K CA 1.803 58.065 56.287 -0.042 0.000 0.980 532 K CB 0.179 32.658 32.500 -0.034 0.000 0.838 532 K HN 0.986 nan 8.250 nan 0.000 0.481 533 T N -3.877 110.650 114.554 -0.046 0.000 2.669 533 T HA 0.140 4.491 4.350 0.001 0.000 0.283 533 T C 0.824 175.508 174.700 -0.027 0.000 1.019 533 T CA -0.802 61.281 62.100 -0.028 0.000 1.039 533 T CB 1.051 69.910 68.868 -0.015 0.000 1.374 533 T HN 0.135 nan 8.240 nan 0.000 0.523 534 H N 0.263 119.263 119.070 -0.116 0.000 2.299 534 H HA -0.079 4.477 4.556 0.001 0.000 0.302 534 H C 0.946 176.188 175.328 -0.143 0.000 1.078 534 H CA 1.941 57.898 56.048 -0.151 0.000 1.323 534 H CB -0.068 29.607 29.762 -0.145 0.000 1.381 534 H HN 0.595 nan 8.280 nan 0.000 0.498 535 D N 0.477 120.733 120.400 -0.239 0.000 2.310 535 D HA -0.129 4.511 4.640 0.001 0.000 0.212 535 D C 1.699 177.862 176.300 -0.228 0.000 0.965 535 D CA 0.449 54.280 54.000 -0.282 0.000 0.879 535 D CB -0.385 40.319 40.800 -0.161 0.000 0.921 535 D HN 0.460 nan 8.370 nan 0.000 0.510 536 D N 0.098 120.393 120.400 -0.174 0.000 2.178 536 D HA -0.073 4.568 4.640 0.001 0.000 0.201 536 D C 0.687 176.872 176.300 -0.192 0.000 0.980 536 D CA 0.281 54.191 54.000 -0.151 0.000 0.842 536 D CB 0.283 41.018 40.800 -0.108 0.000 0.948 536 D HN 0.147 nan 8.370 nan 0.000 0.472 537 L N 1.575 122.657 121.223 -0.234 0.000 2.464 537 L HA 0.178 4.519 4.340 0.001 0.000 0.264 537 L C -1.775 174.912 176.870 -0.306 0.000 1.199 537 L CA -1.197 53.486 54.840 -0.261 0.000 0.818 537 L CB 0.156 42.068 42.059 -0.246 0.000 1.102 537 L HN -0.064 nan 8.230 nan 0.000 0.473 538 P HA 0.091 nan 4.420 nan 0.000 0.272 538 P C -0.155 176.962 177.300 -0.304 0.000 1.230 538 P CA -0.461 62.421 63.100 -0.364 0.000 0.788 538 P CB 0.838 32.197 31.700 -0.569 0.000 0.949 539 R N 1.492 121.835 120.500 -0.261 0.000 2.073 539 R HA -0.087 4.253 4.340 0.001 0.000 0.229 539 R C 1.196 177.451 176.300 -0.076 0.000 1.120 539 R CA 1.692 57.613 56.100 -0.297 0.000 0.967 539 R CB -1.221 28.778 30.300 -0.501 0.000 0.862 539 R HN 0.356 nan 8.270 nan 0.000 0.436 540 D N -0.462 119.968 120.400 0.050 0.000 2.357 540 D HA -0.126 4.514 4.640 0.001 0.000 0.216 540 D C 1.321 177.694 176.300 0.121 0.000 0.973 540 D CA 1.429 55.548 54.000 0.199 0.000 0.912 540 D CB 0.142 40.979 40.800 0.061 0.000 0.900 540 D HN 0.355 nan 8.370 nan 0.000 0.501 541 V N -3.441 116.457 119.914 -0.028 0.000 3.432 541 V HA 0.193 4.313 4.120 0.001 0.000 0.298 541 V C 0.547 176.642 176.094 0.002 0.000 1.464 541 V CA -0.443 61.859 62.300 0.003 0.000 1.046 541 V CB -0.073 31.679 31.823 -0.120 0.000 0.887 541 V HN -0.125 nan 8.190 nan 0.000 0.441 542 Q N 0.443 120.242 119.800 -0.001 0.000 2.382 542 Q HA 0.361 4.702 4.340 0.001 0.000 0.229 542 Q C -0.643 175.535 176.000 0.296 0.000 1.006 542 Q CA -0.709 55.128 55.803 0.057 0.000 0.916 542 Q CB 0.779 29.406 28.738 -0.186 0.000 1.235 542 Q HN 0.426 nan 8.270 nan 0.000 0.512 543 F N 1.511 121.639 119.950 0.297 0.000 2.572 543 F HA -0.045 4.483 4.527 0.001 0.000 0.370 543 F C 1.009 176.917 175.800 0.179 0.000 1.103 543 F CA -0.458 57.636 58.000 0.156 0.000 1.286 543 F CB 0.150 39.160 39.000 0.018 0.000 1.105 543 F HN 0.418 nan 8.300 nan 0.000 0.583 544 T N 0.324 115.098 114.554 0.367 0.000 2.831 544 T HA -0.001 4.349 4.350 0.001 0.000 0.291 544 T C 0.860 175.638 174.700 0.130 0.000 0.981 544 T CA -0.583 61.637 62.100 0.199 0.000 1.174 544 T CB 0.186 69.117 68.868 0.105 0.000 0.929 544 T HN 0.464 nan 8.240 nan 0.000 0.532 545 D N 2.424 122.883 120.400 0.099 0.000 2.280 545 D HA -0.124 4.516 4.640 0.001 0.000 0.206 545 D C 1.712 178.020 176.300 0.012 0.000 0.988 545 D CA 1.477 55.492 54.000 0.025 0.000 0.886 545 D CB 0.012 40.737 40.800 -0.124 0.000 0.914 545 D HN 0.789 nan 8.370 nan 0.000 0.473 546 E N 0.128 120.337 120.200 0.016 0.000 2.072 546 E HA -0.063 4.288 4.350 0.001 0.000 0.190 546 E C 1.803 178.374 176.600 -0.048 0.000 0.982 546 E CA 0.721 57.119 56.400 -0.003 0.000 0.803 546 E CB -0.011 29.692 29.700 0.006 0.000 0.755 546 E HN 0.150 nan 8.360 nan 0.000 0.453 547 K N 0.145 120.481 120.400 -0.108 0.000 2.155 547 K HA -0.011 4.310 4.320 0.001 0.000 0.203 547 K C 2.295 178.670 176.600 -0.374 0.000 1.052 547 K CA 0.946 57.049 56.287 -0.306 0.000 0.948 547 K CB -0.044 32.170 32.500 -0.477 0.000 0.728 547 K HN 0.027 nan 8.250 nan 0.000 0.448 548 S N 0.709 116.332 115.700 -0.129 0.000 2.368 548 S HA -0.160 4.310 4.470 0.001 0.000 0.225 548 S C 2.013 176.668 174.600 0.093 0.000 1.030 548 S CA 1.165 59.437 58.200 0.121 0.000 0.999 548 S CB -0.155 63.176 63.200 0.219 0.000 0.844 548 S HN 0.310 nan 8.310 nan 0.000 0.459 549 R N 0.430 120.950 120.500 0.032 0.000 2.070 549 R HA -0.065 4.275 4.340 0.001 0.000 0.233 549 R C 2.589 178.901 176.300 0.019 0.000 1.137 549 R CA 1.786 57.900 56.100 0.023 0.000 0.945 549 R CB -1.016 29.292 30.300 0.012 0.000 0.845 549 R HN 0.466 nan 8.270 nan 0.000 0.430 550 S N -0.410 115.290 115.700 -0.001 0.000 2.389 550 S HA -0.257 4.213 4.470 0.001 0.000 0.231 550 S C 1.735 176.360 174.600 0.041 0.000 1.052 550 S CA 1.763 59.966 58.200 0.004 0.000 1.053 550 S CB -0.506 62.676 63.200 -0.029 0.000 0.886 550 S HN 0.560 nan 8.310 nan 0.000 0.456 551 Y N 2.088 122.347 120.300 -0.069 0.000 2.092 551 Y HA -0.064 4.487 4.550 0.001 0.000 0.282 551 Y C 2.527 178.434 175.900 0.011 0.000 1.126 551 Y CA 2.052 60.142 58.100 -0.018 0.000 1.111 551 Y CB -0.978 37.510 38.460 0.048 0.000 0.987 551 Y HN 0.239 nan 8.280 nan 0.000 0.489 552 Q N 0.723 120.434 119.800 -0.149 0.000 2.217 552 Q HA -0.212 4.129 4.340 0.001 0.000 0.209 552 Q C 1.970 177.870 176.000 -0.167 0.000 0.988 552 Q CA 1.736 57.403 55.803 -0.227 0.000 0.878 552 Q CB -0.410 28.297 28.738 -0.051 0.000 0.909 552 Q HN 0.645 nan 8.270 nan 0.000 0.424 553 E N 0.754 120.904 120.200 -0.084 0.000 2.001 553 E HA -0.104 4.246 4.350 0.001 0.000 0.193 553 E C 2.072 178.661 176.600 -0.019 0.000 0.994 553 E CA 1.514 57.895 56.400 -0.032 0.000 0.815 553 E CB -0.167 29.539 29.700 0.010 0.000 0.770 553 E HN 0.448 nan 8.360 nan 0.000 0.453 554 S N 1.069 116.772 115.700 0.004 0.000 2.465 554 S HA -0.088 4.383 4.470 0.001 0.000 0.241 554 S C 1.795 176.423 174.600 0.047 0.000 1.000 554 S CA 0.556 58.824 58.200 0.112 0.000 0.964 554 S CB -0.127 63.108 63.200 0.057 0.000 0.763 554 S HN 0.100 nan 8.310 nan 0.000 0.512 555 R N 1.758 122.180 120.500 -0.131 0.000 2.060 555 R HA 0.051 4.391 4.340 0.001 0.000 0.225 555 R C 2.478 178.730 176.300 -0.080 0.000 1.155 555 R CA 1.512 57.508 56.100 -0.173 0.000 0.930 555 R CB -0.724 29.356 30.300 -0.366 0.000 0.829 555 R HN 0.487 nan 8.270 nan 0.000 0.433 556 K N 0.523 120.874 120.400 -0.082 0.000 2.074 556 K HA -0.166 4.154 4.320 0.001 0.000 0.209 556 K C 2.012 178.597 176.600 -0.025 0.000 1.048 556 K CA 1.681 57.940 56.287 -0.047 0.000 0.926 556 K CB -0.148 32.327 32.500 -0.042 0.000 0.713 556 K HN 0.197 nan 8.250 nan 0.000 0.444 557 A N 0.789 123.608 122.820 -0.003 0.000 1.908 557 A HA -0.161 4.159 4.320 0.001 0.000 0.218 557 A C 2.289 179.853 177.584 -0.033 0.000 1.181 557 A CA 2.107 54.148 52.037 0.007 0.000 0.627 557 A CB -0.768 18.278 19.000 0.077 0.000 0.818 557 A HN 0.519 nan 8.150 nan 0.000 0.445 558 A N -0.763 122.052 122.820 -0.008 0.000 1.874 558 A HA 0.096 4.417 4.320 0.001 0.000 0.214 558 A C 2.059 179.618 177.584 -0.042 0.000 1.189 558 A CA 1.443 53.453 52.037 -0.045 0.000 0.615 558 A CB -0.645 18.374 19.000 0.032 0.000 0.830 558 A HN 0.753 nan 8.150 nan 0.000 0.443 559 L N -0.088 121.118 121.223 -0.028 0.000 2.189 559 L HA -0.115 4.225 4.340 0.001 0.000 0.214 559 L C 2.234 179.084 176.870 -0.032 0.000 1.097 559 L CA 1.694 56.516 54.840 -0.029 0.000 0.764 559 L CB -0.514 41.527 42.059 -0.029 0.000 0.900 559 L HN 0.148 nan 8.230 nan 0.000 0.436 560 V N -0.007 119.885 119.914 -0.037 0.000 2.626 560 V HA -0.238 3.882 4.120 0.001 0.000 0.252 560 V C 2.214 178.282 176.094 -0.044 0.000 1.067 560 V CA 1.820 64.097 62.300 -0.037 0.000 1.081 560 V CB -0.620 31.182 31.823 -0.036 0.000 0.686 560 V HN 0.602 nan 8.190 nan 0.000 0.468 561 N N 0.651 119.316 118.700 -0.057 0.000 2.300 561 N HA -0.038 4.703 4.740 0.001 0.000 0.179 561 N C 1.336 176.819 175.510 -0.046 0.000 1.016 561 N CA 1.243 54.255 53.050 -0.062 0.000 0.876 561 N CB -0.182 38.250 38.487 -0.092 0.000 0.979 561 N HN 0.590 nan 8.380 nan 0.000 0.432 562 L N -2.698 118.502 121.223 -0.038 0.000 2.688 562 L HA 0.550 4.891 4.340 0.001 0.000 0.234 562 L C 1.113 177.969 176.870 -0.024 0.000 1.192 562 L CA 0.147 54.969 54.840 -0.029 0.000 0.984 562 L CB 0.117 42.161 42.059 -0.025 0.000 1.232 562 L HN -0.112 nan 8.230 nan 0.000 0.465 563 G N -1.295 107.490 108.800 -0.025 0.000 4.008 563 G HA2 0.312 4.273 3.960 0.001 0.000 0.278 563 G HA3 0.312 4.273 3.960 0.001 0.000 0.278 563 G C 0.445 175.332 174.900 -0.022 0.000 1.021 563 G CA 0.216 45.303 45.100 -0.021 0.000 0.833 563 G HN 0.266 nan 8.290 nan 0.000 0.454 564 I N -0.661 119.894 120.570 -0.025 0.000 4.864 564 I HA 0.324 4.494 4.170 0.001 0.000 0.337 564 I C 2.047 178.149 176.117 -0.025 0.000 1.283 564 I CA 0.882 62.167 61.300 -0.025 0.000 1.350 564 I CB 1.012 38.995 38.000 -0.029 0.000 1.412 564 I HN 0.015 nan 8.210 nan 0.000 0.487 565 G N -0.382 108.401 108.800 -0.027 0.000 2.762 565 G HA2 -0.048 3.912 3.960 0.001 0.000 0.209 565 G HA3 -0.048 3.912 3.960 0.001 0.000 0.209 565 G C 1.537 176.425 174.900 -0.020 0.000 1.134 565 G CA 0.749 45.834 45.100 -0.025 0.000 0.781 565 G HN 0.394 nan 8.290 nan 0.000 0.528 566 S N 0.207 115.896 115.700 -0.020 0.000 2.428 566 S HA 0.222 4.693 4.470 0.001 0.000 0.230 566 S C 1.307 175.899 174.600 -0.013 0.000 1.014 566 S CA -0.141 58.050 58.200 -0.016 0.000 0.957 566 S CB -0.243 62.948 63.200 -0.016 0.000 0.784 566 S HN 0.209 nan 8.310 nan 0.000 0.499 600 H N -1.305 117.602 119.070 -0.272 0.000 3.124 600 H HA 0.433 4.989 4.556 0.001 0.000 0.250 600 H C 0.179 175.422 175.328 -0.141 0.000 1.184 600 H CA -0.427 55.489 56.048 -0.220 0.000 1.013 600 H CB -0.492 28.965 29.762 -0.508 0.000 1.891 600 H HN -0.128 nan 8.280 nan 0.000 0.687 601 E N 1.446 121.544 120.200 -0.170 0.000 2.422 601 E HA -0.036 4.315 4.350 0.001 0.000 0.260 601 E C 0.323 177.020 176.600 0.162 0.000 1.108 601 E CA 0.335 56.726 56.400 -0.016 0.000 0.943 601 E CB 0.816 30.542 29.700 0.043 0.000 0.961 601 E HN 0.447 nan 8.360 nan 0.000 0.443 602 D N 1.253 121.760 120.400 0.178 0.000 2.177 602 D HA -0.246 4.395 4.640 0.001 0.000 0.189 602 D C 1.872 178.298 176.300 0.211 0.000 1.002 602 D CA 2.086 56.260 54.000 0.290 0.000 0.845 602 D CB -0.022 40.954 40.800 0.292 0.000 0.960 602 D HN 0.408 nan 8.370 nan 0.000 0.447 603 R N -0.289 120.189 120.500 -0.036 0.000 2.112 603 R HA -0.206 4.135 4.340 0.001 0.000 0.242 603 R C 2.251 178.419 176.300 -0.220 0.000 1.137 603 R CA 2.000 57.909 56.100 -0.317 0.000 0.944 603 R CB -0.601 29.186 30.300 -0.856 0.000 0.857 603 R HN 0.381 nan 8.270 nan 0.000 0.435 604 W N -0.424 120.949 121.300 0.123 0.000 2.409 604 W HA -0.105 4.556 4.660 0.001 0.000 0.299 604 W C 2.095 178.800 176.519 0.310 0.000 1.203 604 W CA -0.094 57.379 57.345 0.214 0.000 1.298 604 W CB -0.606 28.966 29.460 0.186 0.000 1.127 604 W HN 0.098 nan 8.180 nan 0.000 0.528 605 F N 1.645 121.804 119.950 0.348 0.000 2.287 605 F HA -0.103 4.425 4.527 0.001 0.000 0.301 605 F C 1.941 177.956 175.800 0.359 0.000 1.069 605 F CA 1.634 59.816 58.000 0.303 0.000 1.372 605 F CB -0.779 38.330 39.000 0.181 0.000 1.056 605 F HN -0.147 nan 8.300 nan 0.000 0.523 606 G N -1.342 107.565 108.800 0.178 0.000 2.417 606 G HA2 -0.281 3.679 3.960 0.001 0.000 0.212 606 G HA3 -0.281 3.679 3.960 0.001 0.000 0.212 606 G C 1.657 176.609 174.900 0.087 0.000 1.187 606 G CA 0.519 45.624 45.100 0.009 0.000 0.804 606 G HN 0.505 nan 8.290 nan 0.000 0.534 607 Y N 1.896 122.251 120.300 0.093 0.000 2.228 607 Y HA -0.307 4.243 4.550 0.001 0.000 0.285 607 Y C 2.835 178.829 175.900 0.157 0.000 1.178 607 Y CA 2.032 60.229 58.100 0.162 0.000 1.202 607 Y CB 0.170 38.848 38.460 0.365 0.000 0.974 607 Y HN 0.451 nan 8.280 nan 0.000 0.527 608 Q N -1.519 118.374 119.800 0.156 0.000 2.322 608 Q HA 0.038 4.379 4.340 0.001 0.000 0.203 608 Q C 0.563 176.507 176.000 -0.094 0.000 0.923 608 Q CA 0.652 56.451 55.803 -0.007 0.000 0.949 608 Q CB -0.416 28.386 28.738 0.107 0.000 1.039 608 Q HN 0.439 nan 8.270 nan 0.000 0.496 609 F N -0.442 119.359 119.950 -0.249 0.000 2.490 609 F HA 0.260 4.788 4.527 0.001 0.000 0.280 609 F C 1.541 177.229 175.800 -0.186 0.000 1.030 609 F CA -0.073 57.766 58.000 -0.269 0.000 1.367 609 F CB 0.016 38.725 39.000 -0.485 0.000 1.131 609 F HN 0.026 nan 8.300 nan 0.000 0.632 610 L N 0.356 121.606 121.223 0.045 0.000 1.908 610 L HA -0.309 4.031 4.340 0.001 0.000 0.227 610 L C 1.430 178.364 176.870 0.107 0.000 1.087 610 L CA 2.325 57.298 54.840 0.223 0.000 0.797 610 L CB -0.876 41.303 42.059 0.200 0.000 0.893 610 L HN 0.174 nan 8.230 nan 0.000 0.432 611 N N -0.871 117.750 118.700 -0.132 0.000 2.412 611 N HA 0.014 4.754 4.740 0.001 0.000 0.184 611 N C 1.143 176.569 175.510 -0.140 0.000 1.101 611 N CA 0.215 53.147 53.050 -0.197 0.000 0.881 611 N CB 0.132 38.517 38.487 -0.170 0.000 0.969 611 N HN 0.389 nan 8.380 nan 0.000 0.459 612 G N 0.941 109.576 108.800 -0.275 0.000 2.751 612 G HA2 0.174 4.134 3.960 0.001 0.000 0.142 612 G HA3 0.174 4.134 3.960 0.001 0.000 0.142 612 G C 1.047 175.748 174.900 -0.332 0.000 1.783 612 G CA 0.532 45.445 45.100 -0.312 0.000 1.018 612 G HN 0.244 nan 8.290 nan 0.000 0.474 613 A N -0.355 122.209 122.820 -0.426 0.000 1.903 613 A HA 0.162 4.483 4.320 0.001 0.000 0.217 613 A C 1.470 178.818 177.584 -0.392 0.000 1.387 613 A CA 0.781 52.454 52.037 -0.607 0.000 0.604 613 A CB -0.719 17.603 19.000 -1.130 0.000 1.043 613 A HN 0.528 nan 8.150 nan 0.000 0.481 614 N N 1.578 120.078 118.700 -0.333 0.000 2.401 614 N HA 0.210 4.951 4.740 0.001 0.000 0.255 614 N C -2.859 172.595 175.510 -0.094 0.000 1.110 614 N CA -1.225 51.778 53.050 -0.079 0.000 0.949 614 N CB 1.052 39.584 38.487 0.075 0.000 1.110 614 N HN 0.073 nan 8.380 nan 0.000 0.490 615 P HA 0.154 nan 4.420 nan 0.000 0.216 615 P C 0.089 177.430 177.300 0.068 0.000 1.866 615 P CA -0.199 62.901 63.100 -0.000 0.000 1.054 615 P CB 0.997 32.656 31.700 -0.068 0.000 1.821 616 V N 0.734 120.715 119.914 0.111 0.000 3.250 616 V HA 0.283 4.404 4.120 0.001 0.000 0.240 616 V C 1.320 177.488 176.094 0.123 0.000 1.275 616 V CA 0.412 62.787 62.300 0.126 0.000 1.206 616 V CB 0.093 31.984 31.823 0.114 0.000 0.976 616 V HN 0.091 nan 8.190 nan 0.000 0.467 617 I N 0.763 121.408 120.570 0.124 0.000 3.956 617 I HA 0.316 4.486 4.170 0.001 0.000 0.333 617 I C 0.599 176.746 176.117 0.051 0.000 1.302 617 I CA -0.093 61.208 61.300 0.003 0.000 1.122 617 I CB 0.802 38.634 38.000 -0.279 0.000 1.013 617 I HN 0.352 nan 8.210 nan 0.000 0.405 618 L N 2.519 123.812 121.223 0.117 0.000 2.433 618 L HA 0.241 4.581 4.340 0.001 0.000 0.275 618 L C 0.181 177.116 176.870 0.108 0.000 1.128 618 L CA 0.733 55.662 54.840 0.148 0.000 0.875 618 L CB 0.220 42.362 42.059 0.139 0.000 1.171 618 L HN 0.177 nan 8.230 nan 0.000 0.463 619 T N 2.322 116.964 114.554 0.147 0.000 2.916 619 T HA 0.480 4.830 4.350 0.001 0.000 0.292 619 T C -0.056 174.794 174.700 0.251 0.000 1.064 619 T CA -1.068 61.122 62.100 0.150 0.000 1.011 619 T CB 1.043 69.966 68.868 0.092 0.000 1.152 619 T HN 0.741 nan 8.240 nan 0.000 0.510 620 R N -0.234 120.394 120.500 0.214 0.000 2.623 620 R HA 0.278 4.619 4.340 0.001 0.000 0.271 620 R C -0.343 175.892 176.300 -0.108 0.000 1.043 620 R CA -0.446 55.609 56.100 -0.076 0.000 1.083 620 R CB 0.007 30.228 30.300 -0.132 0.000 0.974 620 R HN 0.798 nan 8.270 nan 0.000 0.436 621 C N 5.206 124.372 119.300 -0.224 0.000 2.442 621 C HA 0.144 4.604 4.460 0.001 0.000 0.362 621 C C 0.765 175.693 174.990 -0.105 0.000 1.242 621 C CA -0.618 58.345 59.018 -0.092 0.000 1.741 621 C CB -0.576 27.137 27.740 -0.046 0.000 2.378 621 C HN 0.827 nan 8.230 nan 0.000 0.549 622 D N 2.833 123.202 120.400 -0.052 0.000 2.301 622 D HA 0.242 4.883 4.640 0.001 0.000 0.206 622 D C 0.447 176.734 176.300 -0.023 0.000 0.979 622 D CA 0.822 54.795 54.000 -0.044 0.000 0.874 622 D CB 0.469 41.252 40.800 -0.028 0.000 0.968 622 D HN 0.730 nan 8.370 nan 0.000 0.510 623 A N 0.308 123.126 122.820 -0.003 0.000 2.572 623 A HA 0.380 4.701 4.320 0.001 0.000 0.303 623 A C -1.361 176.246 177.584 0.039 0.000 1.059 623 A CA -0.775 51.268 52.037 0.010 0.000 0.788 623 A CB 0.232 19.236 19.000 0.007 0.000 1.282 623 A HN -0.014 nan 8.150 nan 0.000 0.397 624 L N 3.668 124.918 121.223 0.046 0.000 2.525 624 L HA 0.312 4.653 4.340 0.001 0.000 0.278 624 L C -1.293 175.640 176.870 0.105 0.000 1.218 624 L CA 0.055 54.952 54.840 0.095 0.000 0.878 624 L CB -0.461 41.625 42.059 0.044 0.000 1.127 624 L HN 0.619 nan 8.230 nan 0.000 0.492 625 P HA 0.122 nan 4.420 nan 0.000 0.276 625 P C 0.637 178.006 177.300 0.115 0.000 1.252 625 P CA -0.506 62.660 63.100 0.110 0.000 0.802 625 P CB 1.078 32.837 31.700 0.099 0.000 1.035 626 S N 1.710 117.455 115.700 0.074 0.000 2.414 626 S HA -0.239 4.231 4.470 0.001 0.000 0.238 626 S C 1.143 175.798 174.600 0.092 0.000 1.055 626 S CA 2.087 60.326 58.200 0.064 0.000 1.174 626 S CB -1.645 61.581 63.200 0.042 0.000 1.087 626 S HN 0.767 nan 8.310 nan 0.000 0.428 627 N N -0.284 118.472 118.700 0.093 0.000 2.926 627 N HA 0.051 4.792 4.740 0.001 0.000 0.284 627 N C -0.586 175.053 175.510 0.215 0.000 1.303 627 N CA -0.018 53.095 53.050 0.105 0.000 1.062 627 N CB -0.250 38.268 38.487 0.052 0.000 1.389 627 N HN 0.371 nan 8.380 nan 0.000 0.538 628 F N 1.075 121.029 119.950 0.006 0.000 3.098 628 F HA 0.307 4.834 4.527 0.001 0.000 0.403 628 F C -2.821 172.980 175.800 0.001 0.000 1.195 628 F CA -2.687 55.315 58.000 0.003 0.000 1.220 628 F CB 1.094 40.102 39.000 0.013 0.000 2.443 628 F HN 0.078 nan 8.300 nan 0.000 0.632 629 P HA 0.309 nan 4.420 nan 0.000 0.262 629 P C -0.763 176.473 177.300 -0.106 0.000 1.620 629 P CA -0.045 63.034 63.100 -0.036 0.000 1.089 629 P CB 1.245 32.952 31.700 0.012 0.000 1.601 630 V N 3.889 123.683 119.914 -0.200 0.000 2.333 630 V HA 0.226 4.346 4.120 0.001 0.000 0.274 630 V C 1.188 177.282 176.094 -0.001 0.000 1.028 630 V CA -0.491 61.713 62.300 -0.160 0.000 0.851 630 V CB 0.854 32.438 31.823 -0.399 0.000 1.000 630 V HN 0.548 nan 8.190 nan 0.000 0.456 631 T N 1.540 116.199 114.554 0.176 0.000 2.932 631 T HA 0.029 4.380 4.350 0.001 0.000 0.312 631 T C 1.060 175.733 174.700 -0.046 0.000 1.071 631 T CA -0.308 61.776 62.100 -0.026 0.000 1.128 631 T CB 0.296 69.025 68.868 -0.231 0.000 0.984 631 T HN 0.620 nan 8.240 nan 0.000 0.549 632 N N 1.608 120.265 118.700 -0.072 0.000 2.635 632 N HA -0.094 4.646 4.740 0.001 0.000 0.191 632 N C 1.148 176.610 175.510 -0.080 0.000 1.155 632 N CA 1.221 54.228 53.050 -0.072 0.000 0.927 632 N CB 0.047 38.493 38.487 -0.068 0.000 0.976 632 N HN 0.946 nan 8.380 nan 0.000 0.448 633 E N -1.812 118.333 120.200 -0.092 0.000 2.603 633 E HA 0.103 4.453 4.350 0.001 0.000 0.224 633 E C 1.091 177.650 176.600 -0.067 0.000 0.896 633 E CA -0.306 56.036 56.400 -0.098 0.000 1.224 633 E CB -0.286 29.340 29.700 -0.123 0.000 1.206 633 E HN 0.103 nan 8.360 nan 0.000 0.576 634 H N 1.467 120.497 119.070 -0.066 0.000 2.357 634 H HA -0.100 4.456 4.556 0.001 0.000 0.296 634 H C 2.067 177.388 175.328 -0.012 0.000 1.108 634 H CA 2.249 58.266 56.048 -0.051 0.000 1.273 634 H CB 0.371 30.070 29.762 -0.104 0.000 1.367 634 H HN 0.300 nan 8.280 nan 0.000 0.498 635 V N -1.272 118.686 119.914 0.074 0.000 3.483 635 V HA 0.141 4.262 4.120 0.001 0.000 0.301 635 V C 1.580 177.635 176.094 -0.066 0.000 1.389 635 V CA 0.522 62.823 62.300 0.000 0.000 1.101 635 V CB 0.065 31.854 31.823 -0.058 0.000 0.971 635 V HN 0.097 nan 8.190 nan 0.000 0.434 636 N N 2.164 120.824 118.700 -0.066 0.000 2.364 636 N HA -0.045 4.695 4.740 0.001 0.000 0.183 636 N C 1.708 177.138 175.510 -0.134 0.000 1.022 636 N CA 1.692 54.673 53.050 -0.115 0.000 0.883 636 N CB -0.042 38.383 38.487 -0.104 0.000 0.965 636 N HN 0.610 nan 8.380 nan 0.000 0.438 637 A N -0.911 121.824 122.820 -0.141 0.000 1.929 637 A HA -0.040 4.281 4.320 0.001 0.000 0.216 637 A C 2.348 179.861 177.584 -0.119 0.000 1.176 637 A CA 1.598 53.524 52.037 -0.184 0.000 0.628 637 A CB -1.022 17.752 19.000 -0.377 0.000 0.816 637 A HN 0.363 nan 8.150 nan 0.000 0.444 638 S N -0.537 115.111 115.700 -0.086 0.000 2.355 638 S HA 0.042 4.512 4.470 0.001 0.000 0.222 638 S C 0.800 175.334 174.600 -0.109 0.000 1.031 638 S CA 0.201 58.374 58.200 -0.045 0.000 0.993 638 S CB -0.585 62.606 63.200 -0.015 0.000 0.859 638 S HN 0.418 nan 8.310 nan 0.000 0.453 639 L N 3.043 124.064 121.223 -0.335 0.000 2.534 639 L HA 0.088 4.429 4.340 0.001 0.000 0.271 639 L C 0.907 177.626 176.870 -0.253 0.000 1.178 639 L CA -0.021 54.432 54.840 -0.645 0.000 0.907 639 L CB 0.358 42.072 42.059 -0.576 0.000 1.164 639 L HN 0.460 nan 8.230 nan 0.000 0.482 640 D N 2.172 122.540 120.400 -0.053 0.000 2.469 640 D HA -0.004 4.637 4.640 0.001 0.000 0.213 640 D C 1.530 177.857 176.300 0.045 0.000 1.135 640 D CA -0.068 53.960 54.000 0.047 0.000 0.834 640 D CB 0.245 41.113 40.800 0.113 0.000 1.009 640 D HN 0.405 nan 8.370 nan 0.000 0.507 641 R N 0.440 120.979 120.500 0.065 0.000 2.057 641 R HA 0.187 4.528 4.340 0.001 0.000 0.229 641 R C 1.637 177.930 176.300 -0.012 0.000 1.136 641 R CA 1.881 57.996 56.100 0.025 0.000 0.952 641 R CB -0.028 30.288 30.300 0.026 0.000 0.848 641 R HN 0.388 nan 8.270 nan 0.000 0.430 642 G N -0.365 108.417 108.800 -0.031 0.000 3.211 642 G HA2 -0.140 3.821 3.960 0.001 0.000 0.202 642 G HA3 -0.140 3.821 3.960 0.001 0.000 0.202 642 G C -0.258 174.619 174.900 -0.038 0.000 1.035 642 G CA -0.603 44.476 45.100 -0.034 0.000 0.846 642 G HN 0.126 nan 8.290 nan 0.000 0.464 643 K N 1.021 121.402 120.400 -0.032 0.000 2.090 643 K HA 0.427 4.747 4.320 0.001 0.000 0.250 643 K C 0.388 176.954 176.600 -0.056 0.000 1.004 643 K CA -0.502 55.768 56.287 -0.029 0.000 0.919 643 K CB 0.947 33.447 32.500 0.000 0.000 1.045 643 K HN 0.279 nan 8.250 nan 0.000 0.471 644 N N 0.772 119.442 118.700 -0.050 0.000 2.326 644 N HA -0.042 4.698 4.740 0.001 0.000 0.239 644 N C 1.142 176.610 175.510 -0.070 0.000 1.301 644 N CA -0.224 52.787 53.050 -0.065 0.000 0.909 644 N CB 0.510 38.967 38.487 -0.050 0.000 1.156 644 N HN 0.480 nan 8.380 nan 0.000 0.462 645 L N 1.595 122.766 121.223 -0.086 0.000 1.990 645 L HA -0.238 4.103 4.340 0.001 0.000 0.213 645 L C 1.410 178.255 176.870 -0.041 0.000 1.072 645 L CA 1.963 56.757 54.840 -0.077 0.000 0.755 645 L CB -0.429 41.581 42.059 -0.081 0.000 0.889 645 L HN 0.628 nan 8.230 nan 0.000 0.432 646 D N 0.138 120.515 120.400 -0.038 0.000 2.123 646 D HA -0.191 4.450 4.640 0.001 0.000 0.196 646 D C 1.623 177.915 176.300 -0.014 0.000 0.992 646 D CA 1.507 55.492 54.000 -0.026 0.000 0.833 646 D CB -0.191 40.593 40.800 -0.028 0.000 0.954 646 D HN 0.575 nan 8.370 nan 0.000 0.455 647 E N 0.248 120.441 120.200 -0.012 0.000 2.335 647 E HA -0.031 4.319 4.350 0.001 0.000 0.191 647 E C 0.887 177.507 176.600 0.033 0.000 1.150 647 E CA 0.134 56.536 56.400 0.004 0.000 1.001 647 E CB 0.314 30.014 29.700 -0.001 0.000 1.127 647 E HN 0.238 nan 8.360 nan 0.000 0.462 648 E N -0.479 119.743 120.200 0.037 0.000 2.717 648 E HA 0.025 4.375 4.350 0.001 0.000 0.204 648 E C 1.889 178.523 176.600 0.058 0.000 0.911 648 E CA -0.041 56.419 56.400 0.101 0.000 1.370 648 E CB 0.090 29.859 29.700 0.116 0.000 1.315 648 E HN 0.138 nan 8.360 nan 0.000 0.643 649 I N 2.297 122.874 120.570 0.012 0.000 2.290 649 I HA -0.312 3.859 4.170 0.001 0.000 0.253 649 I C 2.068 178.152 176.117 -0.054 0.000 1.112 649 I CA 1.514 62.793 61.300 -0.035 0.000 1.377 649 I CB -0.965 37.018 38.000 -0.029 0.000 1.060 649 I HN 0.100 nan 8.210 nan 0.000 0.428 650 K N 1.018 121.402 120.400 -0.026 0.000 1.984 650 K HA -0.171 4.150 4.320 0.001 0.000 0.209 650 K C 1.589 178.160 176.600 -0.047 0.000 1.046 650 K CA 1.947 58.215 56.287 -0.030 0.000 0.934 650 K CB -0.298 32.196 32.500 -0.010 0.000 0.717 650 K HN 0.304 nan 8.250 nan 0.000 0.438 651 D N -1.084 119.308 120.400 -0.013 0.000 2.350 651 D HA -0.025 4.615 4.640 0.001 0.000 0.216 651 D C 1.052 177.184 176.300 -0.279 0.000 0.968 651 D CA 1.150 55.123 54.000 -0.044 0.000 0.894 651 D CB 0.273 41.168 40.800 0.158 0.000 0.909 651 D HN 0.527 nan 8.370 nan 0.000 0.520 652 G N -0.103 108.553 108.800 -0.239 0.000 2.279 652 G HA2 -0.327 3.634 3.960 0.001 0.000 0.223 652 G HA3 -0.327 3.634 3.960 0.001 0.000 0.223 652 G C 1.036 175.711 174.900 -0.375 0.000 1.015 652 G CA 0.132 45.025 45.100 -0.345 0.000 0.621 652 G HN 0.404 nan 8.290 nan 0.000 0.506 653 H N 0.476 119.542 119.070 -0.008 0.000 2.492 653 H HA 0.060 4.616 4.556 0.001 0.000 0.296 653 H C 1.421 176.845 175.328 0.160 0.000 1.095 653 H CA 1.222 57.334 56.048 0.107 0.000 1.281 653 H CB 0.156 29.996 29.762 0.130 0.000 1.374 653 H HN 0.394 nan 8.280 nan 0.000 0.545 654 I N 1.481 122.129 120.570 0.131 0.000 2.315 654 I HA 0.089 4.260 4.170 0.001 0.000 0.291 654 I C -0.603 175.446 176.117 -0.113 0.000 1.006 654 I CA -0.238 61.152 61.300 0.150 0.000 1.265 654 I CB 0.670 38.762 38.000 0.153 0.000 1.387 654 I HN -0.092 nan 8.210 nan 0.000 0.475 655 Y N 6.478 126.875 120.300 0.162 0.000 2.468 655 Y HA 0.610 5.161 4.550 0.001 0.000 0.342 655 Y C -0.096 175.944 175.900 0.233 0.000 1.021 655 Y CA -0.799 57.382 58.100 0.135 0.000 1.079 655 Y CB 2.045 40.537 38.460 0.053 0.000 1.226 655 Y HN 0.359 nan 8.280 nan 0.000 0.460 656 I N 2.641 123.410 120.570 0.332 0.000 2.582 656 I HA 0.636 4.806 4.170 0.001 0.000 0.292 656 I C -1.814 174.479 176.117 0.292 0.000 1.066 656 I CA -0.979 60.511 61.300 0.316 0.000 1.053 656 I CB 1.535 39.684 38.000 0.248 0.000 1.241 656 I HN 0.470 nan 8.210 nan 0.000 0.421 657 V N 6.955 127.072 119.914 0.339 0.000 2.483 657 V HA 0.533 4.654 4.120 0.001 0.000 0.295 657 V C -1.068 175.192 176.094 0.277 0.000 1.035 657 V CA -0.142 62.359 62.300 0.335 0.000 0.896 657 V CB 1.788 33.933 31.823 0.536 0.000 0.986 657 V HN 0.783 nan 8.190 nan 0.000 0.447 658 D N 4.448 124.966 120.400 0.196 0.000 2.649 658 D HA 0.339 4.980 4.640 0.001 0.000 0.249 658 D C -0.544 175.827 176.300 0.117 0.000 1.112 658 D CA -0.337 53.743 54.000 0.132 0.000 0.850 658 D CB 1.699 42.509 40.800 0.017 0.000 1.399 658 D HN 0.362 nan 8.370 nan 0.000 0.503 659 F N 2.569 122.445 119.950 -0.122 0.000 2.750 659 F HA 0.285 4.812 4.527 0.001 0.000 0.297 659 F C 2.067 177.817 175.800 -0.083 0.000 1.138 659 F CA -0.362 57.547 58.000 -0.152 0.000 1.346 659 F CB 0.203 39.161 39.000 -0.069 0.000 0.965 659 F HN 0.312 nan 8.300 nan 0.000 0.514 660 K N 0.226 120.646 120.400 0.034 0.000 2.127 660 K HA -0.247 4.073 4.320 0.001 0.000 0.212 660 K C 2.125 178.754 176.600 0.049 0.000 1.050 660 K CA 2.081 58.384 56.287 0.026 0.000 0.929 660 K CB -0.447 32.048 32.500 -0.009 0.000 0.715 660 K HN 0.357 nan 8.250 nan 0.000 0.457 661 V N -0.826 119.094 119.914 0.011 0.000 3.241 661 V HA -0.086 4.035 4.120 0.001 0.000 0.269 661 V C 1.416 177.639 176.094 0.215 0.000 1.151 661 V CA 1.322 63.645 62.300 0.038 0.000 1.158 661 V CB -0.352 31.455 31.823 -0.027 0.000 0.764 661 V HN 0.224 nan 8.190 nan 0.000 0.508 662 L N 0.404 121.819 121.223 0.321 0.000 2.653 662 L HA 0.338 4.678 4.340 0.001 0.000 0.231 662 L C 0.467 177.511 176.870 0.291 0.000 1.153 662 L CA -0.127 55.004 54.840 0.486 0.000 0.933 662 L CB 0.637 42.972 42.059 0.460 0.000 1.175 662 L HN 0.213 nan 8.230 nan 0.000 0.473 663 V N -0.080 119.953 119.914 0.199 0.000 2.607 663 V HA 0.442 4.562 4.120 0.001 0.000 0.289 663 V C 1.249 177.422 176.094 0.132 0.000 1.053 663 V CA 0.518 62.897 62.300 0.132 0.000 0.996 663 V CB 1.023 32.896 31.823 0.083 0.000 0.995 663 V HN 0.497 nan 8.190 nan 0.000 0.476 664 G N 3.544 112.408 108.800 0.107 0.000 2.175 664 G HA2 -0.108 3.852 3.960 0.001 0.000 0.244 664 G HA3 -0.108 3.852 3.960 0.001 0.000 0.244 664 G C 0.379 175.349 174.900 0.116 0.000 0.982 664 G CA 0.041 45.197 45.100 0.094 0.000 0.641 664 G HN 1.481 nan 8.290 nan 0.000 0.527 665 A N 0.269 123.176 122.820 0.145 0.000 2.454 665 A HA 0.591 4.911 4.320 0.001 0.000 0.260 665 A C 0.516 178.149 177.584 0.082 0.000 1.106 665 A CA 0.725 52.849 52.037 0.145 0.000 0.780 665 A CB 0.391 19.475 19.000 0.140 0.000 1.044 665 A HN 0.529 nan 8.150 nan 0.000 0.498 666 K N 3.086 123.530 120.400 0.073 0.000 2.240 666 K HA 0.430 4.751 4.320 0.001 0.000 0.271 666 K C 0.059 176.686 176.600 0.045 0.000 1.018 666 K CA -0.367 55.947 56.287 0.044 0.000 0.874 666 K CB 0.673 33.198 32.500 0.041 0.000 1.098 666 K HN 0.777 nan 8.250 nan 0.000 0.458 667 S N 2.336 118.052 115.700 0.026 0.000 2.307 667 S HA 0.144 4.614 4.470 0.001 0.000 0.252 667 S C -0.932 173.738 174.600 0.118 0.000 1.204 667 S CA -0.431 57.799 58.200 0.051 0.000 1.018 667 S CB -0.039 63.161 63.200 -0.001 0.000 1.077 667 S HN 0.600 nan 8.310 nan 0.000 0.454 668 Y N 0.715 120.994 120.300 -0.034 0.000 2.356 668 Y HA 0.542 5.093 4.550 0.001 0.000 0.334 668 Y C 0.593 176.463 175.900 -0.049 0.000 0.958 668 Y CA -0.173 57.913 58.100 -0.023 0.000 1.196 668 Y CB 0.425 38.883 38.460 -0.003 0.000 1.137 668 Y HN 0.788 nan 8.280 nan 0.000 0.485 669 G N 2.536 111.150 108.800 -0.311 0.000 2.227 669 G HA2 0.092 4.053 3.960 0.001 0.000 0.168 669 G HA3 0.092 4.053 3.960 0.001 0.000 0.168 669 G C 0.745 175.526 174.900 -0.198 0.000 1.006 669 G CA 0.066 44.953 45.100 -0.356 0.000 0.684 669 G HN 1.836 nan 8.290 nan 0.000 0.489 670 G N -0.824 107.892 108.800 -0.140 0.000 2.255 670 G HA2 -0.013 3.948 3.960 0.001 0.000 0.196 670 G HA3 -0.013 3.948 3.960 0.001 0.000 0.196 670 G C -1.532 173.306 174.900 -0.105 0.000 0.998 670 G CA 0.318 45.357 45.100 -0.100 0.000 0.656 670 G HN 1.078 nan 8.290 nan 0.000 0.490 671 P HA 0.536 nan 4.420 nan 0.000 0.277 671 P C 0.577 177.817 177.300 -0.101 0.000 1.354 671 P CA -0.338 62.647 63.100 -0.193 0.000 0.891 671 P CB 0.866 32.267 31.700 -0.499 0.000 1.058 672 V N 2.070 121.960 119.914 -0.040 0.000 3.185 672 V HA 0.300 4.420 4.120 0.001 0.000 0.305 672 V C 0.386 176.491 176.094 0.018 0.000 1.090 672 V CA -0.646 61.653 62.300 -0.001 0.000 1.107 672 V CB 0.281 32.110 31.823 0.010 0.000 1.061 672 V HN 0.215 nan 8.190 nan 0.000 0.480 673 L N 1.537 122.785 121.223 0.041 0.000 2.342 673 L HA 0.725 5.066 4.340 0.001 0.000 0.271 673 L C -0.293 176.606 176.870 0.049 0.000 1.008 673 L CA 0.032 54.905 54.840 0.054 0.000 0.818 673 L CB 1.895 44.000 42.059 0.076 0.000 1.296 673 L HN 0.988 nan 8.230 nan 0.000 0.427 674 E N 0.260 120.485 120.200 0.042 0.000 2.392 674 E HA 0.379 4.730 4.350 0.001 0.000 0.269 674 E C -0.206 176.412 176.600 0.030 0.000 0.924 674 E CA -0.654 55.767 56.400 0.035 0.000 0.784 674 E CB 0.723 30.439 29.700 0.027 0.000 1.292 674 E HN 0.482 nan 8.360 nan 0.000 0.447 675 D N 0.619 121.035 120.400 0.026 0.000 2.160 675 D HA -0.208 4.432 4.640 0.001 0.000 0.189 675 D C 0.932 177.239 176.300 0.011 0.000 1.003 675 D CA 1.610 55.621 54.000 0.019 0.000 0.846 675 D CB -0.349 40.461 40.800 0.016 0.000 0.949 675 D HN 0.504 nan 8.370 nan 0.000 0.446 676 I N 0.473 121.050 120.570 0.012 0.000 3.496 676 I HA 0.179 4.350 4.170 0.001 0.000 0.301 676 I C 1.251 177.370 176.117 0.004 0.000 1.217 676 I CA -0.132 61.173 61.300 0.008 0.000 1.258 676 I CB -1.589 36.417 38.000 0.010 0.000 1.047 676 I HN 0.075 nan 8.210 nan 0.000 0.502 689 A N 1.835 124.643 122.820 -0.021 0.000 1.806 689 A HA 0.209 4.529 4.320 0.001 0.000 0.193 689 A C -0.432 177.141 177.584 -0.018 0.000 1.883 689 A CA 0.354 52.380 52.037 -0.018 0.000 1.434 689 A CB 0.609 19.602 19.000 -0.012 0.000 1.505 689 A HN 0.271 nan 8.150 nan 0.000 0.364 690 D N -0.365 120.015 120.400 -0.033 0.000 2.470 690 D HA 0.571 5.212 4.640 0.001 0.000 0.233 690 D C -1.549 174.700 176.300 -0.086 0.000 1.372 690 D CA 0.198 54.183 54.000 -0.025 0.000 0.994 690 D CB 0.931 41.748 40.800 0.028 0.000 1.377 690 D HN 0.287 nan 8.370 nan 0.000 0.586 691 I N 2.505 123.054 120.570 -0.035 0.000 2.752 691 I HA 0.516 4.686 4.170 0.001 0.000 0.295 691 I C -1.244 174.892 176.117 0.033 0.000 1.219 691 I CA -0.581 60.685 61.300 -0.058 0.000 1.030 691 I CB 1.497 39.473 38.000 -0.040 0.000 1.259 691 I HN 0.215 nan 8.210 nan 0.000 0.423 692 R N 5.869 126.354 120.500 -0.025 0.000 2.599 692 R HA 0.576 4.917 4.340 0.001 0.000 0.295 692 R C -1.827 174.456 176.300 -0.029 0.000 0.963 692 R CA -0.749 55.392 56.100 0.069 0.000 0.883 692 R CB 2.121 32.492 30.300 0.118 0.000 1.171 692 R HN 0.403 nan 8.270 nan 0.000 0.450 693 Y N -0.023 120.347 120.300 0.115 0.000 2.621 693 Y HA 0.624 5.175 4.550 0.001 0.000 0.334 693 Y C 0.319 176.371 175.900 0.254 0.000 1.074 693 Y CA -0.534 57.686 58.100 0.200 0.000 1.149 693 Y CB 1.991 40.642 38.460 0.318 0.000 1.302 693 Y HN 0.577 nan 8.280 nan 0.000 0.501 694 C N 0.189 119.783 119.300 0.490 0.000 3.251 694 C HA 0.950 5.410 4.460 0.001 0.000 0.376 694 C C -1.420 173.782 174.990 0.352 0.000 1.791 694 C CA -0.078 59.196 59.018 0.426 0.000 1.163 694 C CB 1.140 29.014 27.740 0.224 0.000 2.128 694 C HN 1.041 nan 8.230 nan 0.000 0.429 695 A N -0.131 122.841 122.820 0.254 0.000 2.612 695 A HA 0.841 5.162 4.320 0.001 0.000 0.293 695 A C -1.075 176.583 177.584 0.124 0.000 1.075 695 A CA 0.365 52.466 52.037 0.108 0.000 0.680 695 A CB 0.796 19.814 19.000 0.031 0.000 1.279 695 A HN 2.105 nan 8.150 nan 0.000 0.411 696 A N 2.029 124.898 122.820 0.082 0.000 3.218 696 A HA 0.681 5.001 4.320 0.001 0.000 0.321 696 A C -2.500 175.116 177.584 0.054 0.000 1.012 696 A CA -1.333 50.788 52.037 0.140 0.000 0.948 696 A CB -0.306 18.786 19.000 0.153 0.000 1.050 696 A HN 0.508 nan 8.150 nan 0.000 0.492 697 P HA 0.495 nan 4.420 nan 0.000 0.275 697 P C -0.760 176.464 177.300 -0.126 0.000 1.266 697 P CA -0.185 62.847 63.100 -0.113 0.000 0.793 697 P CB 1.100 32.719 31.700 -0.135 0.000 1.074 698 L N -0.340 120.749 121.223 -0.223 0.000 2.354 698 L HA 0.808 5.148 4.340 0.001 0.000 0.264 698 L C -0.037 176.759 176.870 -0.125 0.000 1.008 698 L CA -0.674 53.970 54.840 -0.328 0.000 0.819 698 L CB 1.551 42.987 42.059 -1.038 0.000 1.339 698 L HN 0.574 nan 8.230 nan 0.000 0.420 699 A N 1.717 124.573 122.820 0.061 0.000 2.594 699 A HA 0.890 5.211 4.320 0.001 0.000 0.295 699 A C -2.022 175.638 177.584 0.127 0.000 1.071 699 A CA -0.397 51.706 52.037 0.111 0.000 0.685 699 A CB 1.429 20.353 19.000 -0.127 0.000 1.285 699 A HN 0.455 nan 8.150 nan 0.000 0.405 700 L N 0.580 121.793 121.223 -0.018 0.000 2.346 700 L HA 0.806 5.146 4.340 0.001 0.000 0.274 700 L C -1.207 175.498 176.870 -0.275 0.000 1.007 700 L CA 0.001 54.842 54.840 0.001 0.000 0.818 700 L CB 1.473 43.564 42.059 0.053 0.000 1.284 700 L HN 0.621 nan 8.230 nan 0.000 0.424 701 F N 2.171 122.213 119.950 0.152 0.000 2.540 701 F HA 0.440 4.967 4.527 0.001 0.000 0.317 701 F C -0.856 175.092 175.800 0.247 0.000 1.104 701 F CA -0.683 57.407 58.000 0.151 0.000 0.913 701 F CB 1.675 40.709 39.000 0.056 0.000 1.170 701 F HN 0.301 nan 8.300 nan 0.000 0.450 702 Y N 3.002 123.462 120.300 0.267 0.000 2.328 702 Y HA 0.641 5.192 4.550 0.001 0.000 0.336 702 Y C -1.078 174.942 175.900 0.200 0.000 0.960 702 Y CA -1.388 56.837 58.100 0.208 0.000 1.134 702 Y CB 1.276 39.806 38.460 0.117 0.000 1.166 702 Y HN 0.347 nan 8.280 nan 0.000 0.464 703 V N 7.623 127.358 119.914 -0.299 0.000 2.400 703 V HA -0.074 4.046 4.120 0.001 0.000 0.263 703 V C 0.891 176.468 176.094 -0.863 0.000 1.026 703 V CA 0.077 62.165 62.300 -0.354 0.000 1.077 703 V CB -0.775 31.035 31.823 -0.023 0.000 1.054 703 V HN 0.873 nan 8.190 nan 0.000 0.477 704 N N 4.448 122.783 118.700 -0.609 0.000 2.239 704 N HA -0.029 4.712 4.740 0.001 0.000 0.225 704 N C 1.039 176.350 175.510 -0.332 0.000 1.283 704 N CA 0.139 52.926 53.050 -0.437 0.000 0.868 704 N CB 0.482 38.842 38.487 -0.213 0.000 1.098 704 N HN 0.559 nan 8.380 nan 0.000 0.436 705 K N 1.926 122.206 120.400 -0.200 0.000 2.551 705 K HA -0.014 4.306 4.320 0.001 0.000 0.192 705 K C 1.108 177.607 176.600 -0.167 0.000 1.027 705 K CA 0.287 56.483 56.287 -0.152 0.000 1.059 705 K CB 0.163 32.615 32.500 -0.080 0.000 0.831 705 K HN 0.510 nan 8.250 nan 0.000 0.508 706 L N -0.888 120.179 121.223 -0.260 0.000 2.609 706 L HA 0.135 4.475 4.340 0.001 0.000 0.230 706 L C 0.622 177.227 176.870 -0.443 0.000 1.087 706 L CA 0.215 54.832 54.840 -0.371 0.000 0.874 706 L CB 0.737 42.474 42.059 -0.536 0.000 1.114 706 L HN 0.357 nan 8.230 nan 0.000 0.488 707 G N 0.152 108.747 108.800 -0.342 0.000 2.215 707 G HA2 -0.211 3.750 3.960 0.001 0.000 0.198 707 G HA3 -0.211 3.750 3.960 0.001 0.000 0.198 707 G C -0.283 174.612 174.900 -0.009 0.000 1.047 707 G CA -0.461 44.550 45.100 -0.149 0.000 0.747 707 G HN 0.521 nan 8.290 nan 0.000 0.495 708 H N -0.965 118.044 119.070 -0.101 0.000 2.539 708 H HA 0.468 5.025 4.556 0.001 0.000 0.332 708 H C -0.153 175.135 175.328 -0.068 0.000 1.031 708 H CA -1.140 54.848 56.048 -0.100 0.000 1.206 708 H CB 2.095 31.780 29.762 -0.128 0.000 1.446 708 H HN 0.146 nan 8.280 nan 0.000 0.496 709 L N 4.874 126.146 121.223 0.081 0.000 2.536 709 L HA 0.103 4.444 4.340 0.001 0.000 0.282 709 L C -0.670 176.311 176.870 0.184 0.000 1.147 709 L CA 0.321 55.198 54.840 0.061 0.000 0.936 709 L CB -0.288 41.716 42.059 -0.091 0.000 1.279 709 L HN 0.585 nan 8.230 nan 0.000 0.461 710 M N 7.347 127.108 119.600 0.269 0.000 2.238 710 M HA 0.426 4.907 4.480 0.001 0.000 0.350 710 M C -2.339 174.205 176.300 0.406 0.000 1.138 710 M CA -1.908 53.583 55.300 0.318 0.000 1.040 710 M CB 1.440 34.185 32.600 0.242 0.000 1.639 710 M HN 0.282 nan 8.290 nan 0.000 0.451 711 P HA 0.147 nan 4.420 nan 0.000 0.271 711 P C 0.266 177.688 177.300 0.204 0.000 1.220 711 P CA 0.085 63.200 63.100 0.025 0.000 0.768 711 P CB 0.516 32.341 31.700 0.209 0.000 0.848 712 I N 0.600 121.203 120.570 0.056 0.000 4.124 712 I HA 0.558 4.729 4.170 0.001 0.000 0.311 712 I C 0.317 176.427 176.117 -0.011 0.000 1.259 712 I CA -0.164 61.154 61.300 0.030 0.000 1.315 712 I CB 0.543 38.570 38.000 0.045 0.000 1.223 712 I HN 0.194 nan 8.210 nan 0.000 0.441 713 A N 1.774 124.627 122.820 0.055 0.000 2.540 713 A HA 0.808 5.129 4.320 0.001 0.000 0.297 713 A C -1.195 176.513 177.584 0.207 0.000 1.056 713 A CA -0.373 51.722 52.037 0.097 0.000 0.700 713 A CB 1.243 20.204 19.000 -0.066 0.000 1.280 713 A HN 0.271 nan 8.150 nan 0.000 0.398 714 I N 1.149 121.925 120.570 0.345 0.000 2.533 714 I HA 0.504 4.675 4.170 0.001 0.000 0.290 714 I C -0.303 176.057 176.117 0.405 0.000 1.056 714 I CA -0.470 61.015 61.300 0.309 0.000 1.057 714 I CB 2.302 40.419 38.000 0.196 0.000 1.240 714 I HN 0.793 nan 8.210 nan 0.000 0.423 715 Q N 4.945 124.954 119.800 0.349 0.000 2.333 715 Q HA 0.498 4.838 4.340 0.001 0.000 0.267 715 Q C -0.003 176.072 176.000 0.125 0.000 1.012 715 Q CA -0.591 55.394 55.803 0.304 0.000 0.824 715 Q CB 2.173 31.128 28.738 0.361 0.000 1.290 715 Q HN 0.748 nan 8.270 nan 0.000 0.449 716 I N 2.028 122.674 120.570 0.127 0.000 2.439 716 I HA -0.055 4.115 4.170 0.001 0.000 0.251 716 I C 0.679 176.745 176.117 -0.085 0.000 1.139 716 I CA 0.657 61.930 61.300 -0.046 0.000 1.438 716 I CB -0.074 37.798 38.000 -0.212 0.000 1.085 716 I HN 0.511 nan 8.210 nan 0.000 0.427 717 N N -0.840 117.830 118.700 -0.050 0.000 2.774 717 N HA 0.187 4.928 4.740 0.001 0.000 0.264 717 N C 0.112 175.597 175.510 -0.042 0.000 1.415 717 N CA -0.600 52.419 53.050 -0.052 0.000 0.815 717 N CB 1.610 40.063 38.487 -0.057 0.000 1.514 717 N HN -0.130 nan 8.380 nan 0.000 0.523 718 Q N 1.115 120.897 119.800 -0.030 0.000 1.891 718 Q HA -0.070 4.270 4.340 0.001 0.000 0.214 718 Q C -0.270 175.725 176.000 -0.008 0.000 0.995 718 Q CA 1.591 57.378 55.803 -0.028 0.000 0.866 718 Q CB -0.356 28.377 28.738 -0.007 0.000 0.931 718 Q HN 0.557 nan 8.270 nan 0.000 0.422 719 E N 2.317 122.520 120.200 0.004 0.000 2.257 719 E HA 0.167 4.518 4.350 0.001 0.000 0.278 719 E C -2.124 174.487 176.600 0.018 0.000 1.049 719 E CA -1.530 54.879 56.400 0.015 0.000 0.876 719 E CB 0.743 30.450 29.700 0.012 0.000 1.035 719 E HN 0.176 nan 8.360 nan 0.000 0.419 720 P HA 0.443 nan 4.420 nan 0.000 0.293 720 P C -0.205 177.101 177.300 0.009 0.000 1.304 720 P CA -0.413 62.705 63.100 0.029 0.000 0.767 720 P CB 0.974 32.706 31.700 0.053 0.000 1.247 721 G N -1.373 107.424 108.800 -0.006 0.000 2.327 721 G HA2 0.259 4.219 3.960 0.001 0.000 0.291 721 G HA3 0.259 4.219 3.960 0.001 0.000 0.291 721 G C -2.800 172.078 174.900 -0.037 0.000 1.290 721 G CA -0.609 44.481 45.100 -0.016 0.000 0.857 721 G HN 0.254 nan 8.290 nan 0.000 0.520 722 P HA 0.248 nan 4.420 nan 0.000 0.253 722 P C 0.613 177.882 177.300 -0.052 0.000 1.260 722 P CA 0.699 63.766 63.100 -0.055 0.000 0.800 722 P CB 0.495 32.171 31.700 -0.040 0.000 1.162 723 E N -1.037 119.143 120.200 -0.033 0.000 2.434 723 E HA 0.081 4.432 4.350 0.001 0.000 0.207 723 E C 0.383 176.985 176.600 0.002 0.000 0.929 723 E CA 0.078 56.470 56.400 -0.012 0.000 1.001 723 E CB 0.165 29.862 29.700 -0.004 0.000 1.016 723 E HN 0.049 nan 8.360 nan 0.000 0.502 724 N N 1.569 120.263 118.700 -0.010 0.000 2.841 724 N HA 0.137 4.877 4.740 0.001 0.000 0.257 724 N C -2.695 172.799 175.510 -0.028 0.000 1.396 724 N CA -1.881 51.178 53.050 0.015 0.000 0.823 724 N CB 0.910 39.404 38.487 0.010 0.000 1.162 724 N HN -0.123 nan 8.380 nan 0.000 0.503 725 P HA 0.282 nan 4.420 nan 0.000 0.312 725 P C -0.372 176.720 177.300 -0.347 0.000 1.308 725 P CA -0.410 62.512 63.100 -0.295 0.000 0.743 725 P CB 1.520 32.925 31.700 -0.492 0.000 1.364 726 I N -0.718 119.602 120.570 -0.416 0.000 2.359 726 I HA 0.237 4.408 4.170 0.001 0.000 0.294 726 I C -0.394 175.459 176.117 -0.440 0.000 0.987 726 I CA -0.461 60.645 61.300 -0.324 0.000 1.225 726 I CB 0.612 38.341 38.000 -0.451 0.000 1.366 726 I HN 0.237 nan 8.210 nan 0.000 0.466 727 W N 4.784 126.077 121.300 -0.012 0.000 2.478 727 W HA 0.519 5.179 4.660 0.001 0.000 0.318 727 W C 0.196 176.747 176.519 0.053 0.000 1.062 727 W CA -0.547 56.838 57.345 0.068 0.000 1.210 727 W CB 1.611 31.204 29.460 0.222 0.000 1.325 727 W HN 0.363 nan 8.180 nan 0.000 0.496 728 T N -0.572 113.962 114.554 -0.032 0.000 2.940 728 T HA 0.416 4.766 4.350 0.001 0.000 0.288 728 T C -2.242 171.793 174.700 -1.108 0.000 1.033 728 T CA -2.553 59.226 62.100 -0.534 0.000 1.033 728 T CB 2.161 70.556 68.868 -0.787 0.000 1.079 728 T HN 0.067 nan 8.240 nan 0.000 0.496 729 P HA 0.086 nan 4.420 nan 0.000 0.259 729 P C 0.004 176.801 177.300 -0.838 0.000 1.307 729 P CA 0.631 62.496 63.100 -2.059 0.000 0.768 729 P CB -0.759 30.285 31.700 -1.093 0.000 1.199 730 H N -3.943 114.826 119.070 -0.501 0.000 3.038 730 H HA 0.296 4.852 4.556 0.001 0.000 0.238 730 H C -0.154 175.122 175.328 -0.087 0.000 1.246 730 H CA -0.666 55.247 56.048 -0.225 0.000 0.966 730 H CB -0.447 29.208 29.762 -0.178 0.000 2.394 730 H HN -0.190 nan 8.280 nan 0.000 0.633 731 E N 1.625 121.752 120.200 -0.121 0.000 2.467 731 E HA -0.069 4.281 4.350 0.001 0.000 0.264 731 E C 0.615 177.270 176.600 0.091 0.000 1.020 731 E CA 0.290 56.717 56.400 0.046 0.000 0.945 731 E CB 1.098 30.930 29.700 0.221 0.000 0.942 731 E HN 0.681 nan 8.360 nan 0.000 0.449 732 E N 1.328 121.587 120.200 0.097 0.000 2.058 732 E HA -0.170 4.181 4.350 0.001 0.000 0.194 732 E C 0.760 177.419 176.600 0.099 0.000 0.997 732 E CA 0.712 57.166 56.400 0.089 0.000 0.801 732 E CB 0.083 29.828 29.700 0.076 0.000 0.746 732 E HN 0.315 nan 8.360 nan 0.000 0.450 733 N N 1.214 119.994 118.700 0.134 0.000 2.406 733 N HA -0.036 4.705 4.740 0.001 0.000 0.251 733 N C 0.130 175.736 175.510 0.160 0.000 1.069 733 N CA 0.211 53.360 53.050 0.166 0.000 0.947 733 N CB 0.962 39.574 38.487 0.209 0.000 1.111 733 N HN 0.117 nan 8.380 nan 0.000 0.497 734 E N 2.281 122.517 120.200 0.060 0.000 2.204 734 E HA -0.146 4.204 4.350 0.001 0.000 0.194 734 E C 0.841 177.459 176.600 0.031 0.000 0.989 734 E CA 0.800 57.216 56.400 0.027 0.000 0.824 734 E CB 0.016 29.674 29.700 -0.070 0.000 0.756 734 E HN 0.666 nan 8.360 nan 0.000 0.477 735 H N 1.136 120.270 119.070 0.107 0.000 2.457 735 H HA -0.108 4.448 4.556 0.001 0.000 0.297 735 H C 1.372 176.723 175.328 0.037 0.000 1.092 735 H CA 1.137 57.224 56.048 0.065 0.000 1.309 735 H CB 0.008 29.801 29.762 0.052 0.000 1.382 735 H HN 0.221 nan 8.280 nan 0.000 0.535 736 D N 0.627 121.142 120.400 0.191 0.000 2.078 736 D HA -0.195 4.445 4.640 0.001 0.000 0.193 736 D C 2.087 178.371 176.300 -0.027 0.000 0.990 736 D CA 0.630 54.668 54.000 0.065 0.000 0.827 736 D CB -0.777 40.234 40.800 0.352 0.000 0.975 736 D HN 0.480 nan 8.370 nan 0.000 0.451 737 W N 1.547 122.823 121.300 -0.041 0.000 2.301 737 W HA -0.284 4.377 4.660 0.001 0.000 0.325 737 W C 2.254 178.669 176.519 -0.173 0.000 1.250 737 W CA 1.241 58.542 57.345 -0.074 0.000 1.261 737 W CB -0.255 29.189 29.460 -0.028 0.000 1.157 737 W HN -0.044 nan 8.180 nan 0.000 0.473 738 M N 0.027 119.493 119.600 -0.222 0.000 2.108 738 M HA -0.328 4.152 4.480 0.001 0.000 0.257 738 M C 2.225 178.254 176.300 -0.453 0.000 1.071 738 M CA 2.289 57.319 55.300 -0.448 0.000 1.093 738 M CB -0.936 31.537 32.600 -0.211 0.000 1.345 738 M HN 0.121 nan 8.290 nan 0.000 0.403 739 M N 0.746 120.237 119.600 -0.182 0.000 2.086 739 M HA -0.099 4.381 4.480 0.001 0.000 0.261 739 M C 2.293 178.508 176.300 -0.142 0.000 1.067 739 M CA 2.158 57.422 55.300 -0.060 0.000 1.116 739 M CB -0.499 32.056 32.600 -0.076 0.000 1.348 739 M HN 0.239 nan 8.290 nan 0.000 0.407 740 A N -0.017 122.581 122.820 -0.370 0.000 1.883 740 A HA -0.242 4.079 4.320 0.001 0.000 0.217 740 A C 2.178 179.551 177.584 -0.351 0.000 1.186 740 A CA 2.184 54.003 52.037 -0.363 0.000 0.624 740 A CB -0.795 17.905 19.000 -0.501 0.000 0.822 740 A HN 0.596 nan 8.150 nan 0.000 0.444 741 K N -1.340 118.626 120.400 -0.723 0.000 2.044 741 K HA -0.187 4.133 4.320 0.001 0.000 0.210 741 K C 1.754 177.988 176.600 -0.609 0.000 1.049 741 K CA 1.944 57.681 56.287 -0.916 0.000 0.927 741 K CB -0.436 31.205 32.500 -1.432 0.000 0.713 741 K HN 0.572 nan 8.250 nan 0.000 0.443 742 F N -0.516 119.150 119.950 -0.473 0.000 2.095 742 F HA -0.256 4.271 4.527 0.001 0.000 0.298 742 F C 2.249 177.875 175.800 -0.291 0.000 1.104 742 F CA 1.015 58.774 58.000 -0.402 0.000 1.232 742 F CB -0.353 38.350 39.000 -0.494 0.000 0.987 742 F HN 0.171 nan 8.300 nan 0.000 0.475 743 W N -0.091 121.211 121.300 0.003 0.000 2.329 743 W HA -0.251 4.410 4.660 0.001 0.000 0.324 743 W C 2.337 178.839 176.519 -0.029 0.000 1.222 743 W CA 0.739 58.066 57.345 -0.029 0.000 1.270 743 W CB -1.137 28.271 29.460 -0.088 0.000 1.167 743 W HN -0.053 nan 8.180 nan 0.000 0.467 744 L N 1.181 122.519 121.223 0.191 0.000 2.034 744 L HA -0.209 4.132 4.340 0.001 0.000 0.217 744 L C 2.333 179.356 176.870 0.256 0.000 1.077 744 L CA 2.626 57.552 54.840 0.143 0.000 0.769 744 L CB -1.494 40.715 42.059 0.250 0.000 0.890 744 L HN 0.080 nan 8.230 nan 0.000 0.435 745 G N -1.587 107.411 108.800 0.330 0.000 2.511 745 G HA2 -0.280 3.680 3.960 0.001 0.000 0.216 745 G HA3 -0.280 3.680 3.960 0.001 0.000 0.216 745 G C 1.683 176.708 174.900 0.207 0.000 1.218 745 G CA 1.080 46.384 45.100 0.340 0.000 0.788 745 G HN 0.354 nan 8.290 nan 0.000 0.560 746 V N 1.453 121.450 119.914 0.139 0.000 2.380 746 V HA -0.144 3.976 4.120 0.001 0.000 0.251 746 V C 3.192 179.382 176.094 0.160 0.000 1.063 746 V CA 2.675 65.034 62.300 0.099 0.000 1.055 746 V CB -0.704 31.107 31.823 -0.020 0.000 0.657 746 V HN 0.487 nan 8.190 nan 0.000 0.455 747 A N -0.906 122.018 122.820 0.173 0.000 1.855 747 A HA -0.244 4.076 4.320 0.001 0.000 0.215 747 A C 2.280 180.107 177.584 0.405 0.000 1.191 747 A CA 1.797 53.957 52.037 0.204 0.000 0.613 747 A CB -0.731 18.240 19.000 -0.048 0.000 0.829 747 A HN 0.660 nan 8.150 nan 0.000 0.442 748 E N 0.192 120.593 120.200 0.336 0.000 2.097 748 E HA -0.230 4.121 4.350 0.001 0.000 0.196 748 E C 2.213 179.036 176.600 0.371 0.000 1.000 748 E CA 1.571 58.281 56.400 0.516 0.000 0.804 748 E CB -0.196 29.639 29.700 0.225 0.000 0.740 748 E HN 0.589 nan 8.360 nan 0.000 0.454 749 S N 0.827 116.673 115.700 0.244 0.000 2.369 749 S HA -0.261 4.210 4.470 0.001 0.000 0.225 749 S C 1.677 176.412 174.600 0.224 0.000 1.043 749 S CA 2.145 60.464 58.200 0.198 0.000 1.074 749 S CB -0.497 62.785 63.200 0.137 0.000 0.962 749 S HN 0.332 nan 8.310 nan 0.000 0.433 750 N N 0.510 119.333 118.700 0.204 0.000 2.142 750 N HA 0.022 4.762 4.740 0.001 0.000 0.186 750 N C 1.389 177.010 175.510 0.186 0.000 1.023 750 N CA 1.403 54.527 53.050 0.124 0.000 0.852 750 N CB -0.744 37.757 38.487 0.024 0.000 0.998 750 N HN 0.546 nan 8.380 nan 0.000 0.424 751 F N 0.949 121.029 119.950 0.217 0.000 2.269 751 F HA -0.143 4.384 4.527 0.001 0.000 0.301 751 F C 2.377 178.313 175.800 0.226 0.000 1.082 751 F CA 1.310 59.475 58.000 0.276 0.000 1.360 751 F CB -0.150 38.974 39.000 0.206 0.000 1.041 751 F HN 0.282 nan 8.300 nan 0.000 0.512 752 H N -0.619 118.507 119.070 0.092 0.000 2.486 752 H HA -0.029 4.527 4.556 0.001 0.000 0.287 752 H C 1.987 177.316 175.328 0.002 0.000 1.010 752 H CA 1.326 57.362 56.048 -0.020 0.000 1.324 752 H CB -0.053 29.725 29.762 0.027 0.000 1.446 752 H HN 0.443 nan 8.280 nan 0.000 0.537 753 Q N 0.546 120.273 119.800 -0.121 0.000 2.163 753 Q HA 0.058 4.399 4.340 0.001 0.000 0.198 753 Q C 2.322 178.281 176.000 -0.069 0.000 0.954 753 Q CA 0.845 56.576 55.803 -0.121 0.000 0.851 753 Q CB 0.234 28.989 28.738 0.028 0.000 0.928 753 Q HN 0.468 nan 8.270 nan 0.000 0.459 754 L N 0.221 121.427 121.223 -0.027 0.000 2.127 754 L HA 0.010 4.350 4.340 0.001 0.000 0.203 754 L C 2.398 179.264 176.870 -0.005 0.000 1.080 754 L CA 0.861 55.718 54.840 0.028 0.000 0.768 754 L CB -0.432 41.717 42.059 0.150 0.000 0.924 754 L HN 0.316 nan 8.230 nan 0.000 0.444 755 N N -0.560 118.081 118.700 -0.098 0.000 2.333 755 N HA -0.072 4.669 4.740 0.001 0.000 0.183 755 N C 1.710 177.058 175.510 -0.269 0.000 1.030 755 N CA 1.652 54.551 53.050 -0.252 0.000 0.867 755 N CB 0.230 38.334 38.487 -0.639 0.000 1.027 755 N HN 0.094 nan 8.380 nan 0.000 0.435 756 T N -0.031 114.335 114.554 -0.313 0.000 2.814 756 T HA -0.039 4.311 4.350 0.001 0.000 0.254 756 T C 0.897 175.552 174.700 -0.075 0.000 1.037 756 T CA 0.526 62.520 62.100 -0.177 0.000 1.143 756 T CB -0.308 68.509 68.868 -0.085 0.000 0.866 756 T HN 0.304 nan 8.240 nan 0.000 0.431 757 H N 1.342 120.221 119.070 -0.317 0.000 2.551 757 H HA 0.324 4.880 4.556 0.001 0.000 0.358 757 H C 0.905 176.233 175.328 -0.000 0.000 1.151 757 H CA -0.237 55.728 56.048 -0.139 0.000 1.374 757 H CB 0.881 30.490 29.762 -0.255 0.000 1.473 757 H HN 0.118 nan 8.280 nan 0.000 0.574 758 L N 3.155 124.196 121.223 -0.304 0.000 3.588 758 L HA -0.376 3.965 4.340 0.001 0.000 0.094 758 L C 1.548 178.409 176.870 -0.015 0.000 4.360 758 L CA 2.312 57.031 54.840 -0.203 0.000 0.640 758 L CB -2.011 39.891 42.059 -0.261 0.000 3.512 758 L HN 0.625 nan 8.230 nan 0.000 0.900 759 L N 0.816 122.024 121.223 -0.025 0.000 1.973 759 L HA -0.022 4.318 4.340 0.001 0.000 0.208 759 L C 2.035 178.942 176.870 0.062 0.000 1.073 759 L CA 2.314 57.155 54.840 0.002 0.000 0.746 759 L CB -0.382 41.668 42.059 -0.016 0.000 0.891 759 L HN 0.406 nan 8.230 nan 0.000 0.433 760 R N -0.820 119.723 120.500 0.071 0.000 3.541 760 R HA 0.168 4.508 4.340 0.001 0.000 0.277 760 R C 0.106 176.573 176.300 0.279 0.000 1.539 760 R CA 0.765 56.969 56.100 0.173 0.000 1.338 760 R CB -0.357 29.978 30.300 0.058 0.000 1.343 760 R HN 0.641 nan 8.270 nan 0.000 0.623 761 T N -5.709 108.985 114.554 0.232 0.000 3.827 761 T HA 0.042 4.393 4.350 0.001 0.000 0.307 761 T C 1.292 176.073 174.700 0.135 0.000 0.930 761 T CA -0.403 61.825 62.100 0.212 0.000 1.171 761 T CB -0.045 68.962 68.868 0.231 0.000 1.092 761 T HN 0.133 nan 8.240 nan 0.000 0.489 762 H N 1.217 120.366 119.070 0.131 0.000 2.273 762 H HA 0.395 4.952 4.556 0.001 0.000 0.317 762 H C 2.252 177.647 175.328 0.112 0.000 1.062 762 H CA 1.297 57.397 56.048 0.087 0.000 1.419 762 H CB -0.119 29.618 29.762 -0.041 0.000 1.442 762 H HN 0.132 nan 8.280 nan 0.000 0.542 763 L N 0.891 122.239 121.223 0.208 0.000 2.141 763 L HA -0.128 4.212 4.340 0.001 0.000 0.209 763 L C 2.766 179.736 176.870 0.167 0.000 1.094 763 L CA 1.543 56.456 54.840 0.122 0.000 0.763 763 L CB -0.541 41.523 42.059 0.009 0.000 0.908 763 L HN 0.404 nan 8.230 nan 0.000 0.437 764 T N -3.461 111.205 114.554 0.186 0.000 2.701 764 T HA -0.210 4.140 4.350 0.001 0.000 0.263 764 T C 1.922 177.060 174.700 0.730 0.000 1.040 764 T CA 1.728 64.022 62.100 0.323 0.000 1.147 764 T CB -1.057 67.937 68.868 0.210 0.000 0.865 764 T HN 0.454 nan 8.240 nan 0.000 0.426 765 T N 0.139 114.963 114.554 0.449 0.000 2.951 765 T HA -0.022 4.328 4.350 0.001 0.000 0.268 765 T C 1.866 176.818 174.700 0.420 0.000 1.073 765 T CA 1.312 63.603 62.100 0.318 0.000 1.134 765 T CB -0.588 68.198 68.868 -0.135 0.000 0.884 765 T HN 0.560 nan 8.240 nan 0.000 0.479 766 E N 1.044 121.477 120.200 0.389 0.000 2.136 766 E HA -0.223 4.128 4.350 0.001 0.000 0.202 766 E C 2.243 179.020 176.600 0.295 0.000 1.019 766 E CA 1.614 58.209 56.400 0.326 0.000 0.819 766 E CB -0.359 29.477 29.700 0.228 0.000 0.739 766 E HN 0.608 nan 8.360 nan 0.000 0.458 767 S N -0.257 115.662 115.700 0.365 0.000 2.359 767 S HA -0.157 4.313 4.470 0.001 0.000 0.224 767 S C 1.536 176.182 174.600 0.077 0.000 1.035 767 S CA 1.319 59.707 58.200 0.314 0.000 1.018 767 S CB -0.409 63.044 63.200 0.422 0.000 0.876 767 S HN 0.303 nan 8.310 nan 0.000 0.448 768 F N 1.835 121.793 119.950 0.014 0.000 2.216 768 F HA -0.073 4.455 4.527 0.001 0.000 0.300 768 F C 2.412 178.307 175.800 0.157 0.000 1.085 768 F CA 0.668 58.627 58.000 -0.068 0.000 1.326 768 F CB -0.715 38.218 39.000 -0.111 0.000 1.027 768 F HN 0.166 nan 8.300 nan 0.000 0.497 769 A N 0.431 123.507 122.820 0.427 0.000 1.841 769 A HA -0.188 4.132 4.320 0.001 0.000 0.216 769 A C 2.216 179.937 177.584 0.227 0.000 1.199 769 A CA 1.445 53.708 52.037 0.377 0.000 0.621 769 A CB -1.214 18.012 19.000 0.377 0.000 0.835 769 A HN 0.266 nan 8.150 nan 0.000 0.445 770 L N 0.273 121.543 121.223 0.078 0.000 2.034 770 L HA -0.209 4.131 4.340 0.001 0.000 0.217 770 L C 2.702 179.498 176.870 -0.123 0.000 1.077 770 L CA 2.699 57.461 54.840 -0.131 0.000 0.769 770 L CB -1.300 40.402 42.059 -0.594 0.000 0.890 770 L HN 0.498 nan 8.230 nan 0.000 0.435 771 S N -1.746 113.885 115.700 -0.115 0.000 2.399 771 S HA -0.157 4.313 4.470 0.001 0.000 0.231 771 S C 1.827 176.564 174.600 0.228 0.000 1.022 771 S CA 1.748 59.899 58.200 -0.083 0.000 0.983 771 S CB -0.078 62.859 63.200 -0.438 0.000 0.803 771 S HN 0.617 nan 8.310 nan 0.000 0.480 772 T N 0.025 114.796 114.554 0.361 0.000 2.737 772 T HA -0.068 4.282 4.350 0.001 0.000 0.265 772 T C 1.171 175.870 174.700 -0.003 0.000 1.038 772 T CA 1.350 63.614 62.100 0.274 0.000 1.144 772 T CB -0.439 68.424 68.868 -0.009 0.000 0.866 772 T HN 0.633 nan 8.240 nan 0.000 0.434 773 W N 1.530 122.782 121.300 -0.080 0.000 2.425 773 W HA 0.096 4.756 4.660 0.001 0.000 0.277 773 W C 2.665 179.017 176.519 -0.279 0.000 1.231 773 W CA 0.109 57.243 57.345 -0.352 0.000 1.248 773 W CB -0.077 28.712 29.460 -1.117 0.000 1.117 773 W HN 0.093 nan 8.180 nan 0.000 0.568 774 R N -0.332 120.199 120.500 0.052 0.000 2.093 774 R HA -0.031 4.309 4.340 0.001 0.000 0.224 774 R C 1.252 177.641 176.300 0.148 0.000 1.101 774 R CA 1.107 57.259 56.100 0.087 0.000 0.979 774 R CB -0.197 30.119 30.300 0.027 0.000 0.877 774 R HN 0.188 nan 8.270 nan 0.000 0.441 775 N N -0.747 118.065 118.700 0.186 0.000 2.145 775 N HA 0.129 4.870 4.740 0.001 0.000 0.219 775 N C -0.579 175.012 175.510 0.134 0.000 1.266 775 N CA 0.077 53.240 53.050 0.189 0.000 0.902 775 N CB 1.378 40.012 38.487 0.244 0.000 1.078 775 N HN 0.022 nan 8.380 nan 0.000 0.513 776 L N 1.673 122.960 121.223 0.105 0.000 2.280 776 L HA 0.560 4.900 4.340 0.001 0.000 0.287 776 L C 0.473 177.313 176.870 -0.050 0.000 1.023 776 L CA -0.674 54.148 54.840 -0.029 0.000 0.819 776 L CB 1.524 43.474 42.059 -0.182 0.000 1.212 776 L HN -0.095 nan 8.230 nan 0.000 0.420 777 A N 2.156 124.922 122.820 -0.091 0.000 2.492 777 A HA 0.148 4.468 4.320 0.001 0.000 0.236 777 A C 1.417 178.695 177.584 -0.511 0.000 1.078 777 A CA 0.388 52.306 52.037 -0.198 0.000 0.773 777 A CB 0.352 19.253 19.000 -0.164 0.000 1.023 777 A HN 0.921 nan 8.150 nan 0.000 0.504 778 S N 0.678 116.070 115.700 -0.513 0.000 2.419 778 S HA -0.061 4.409 4.470 0.001 0.000 0.235 778 S C 1.441 175.742 174.600 -0.498 0.000 1.019 778 S CA 1.381 59.149 58.200 -0.720 0.000 0.982 778 S CB -0.387 62.677 63.200 -0.227 0.000 0.789 778 S HN 1.455 nan 8.310 nan 0.000 0.490 779 A N 0.130 122.732 122.820 -0.364 0.000 2.308 779 A HA 0.298 4.618 4.320 0.001 0.000 0.217 779 A C 0.677 178.028 177.584 -0.388 0.000 1.216 779 A CA -0.279 51.541 52.037 -0.360 0.000 0.864 779 A CB -0.658 18.069 19.000 -0.455 0.000 0.902 779 A HN 0.699 nan 8.150 nan 0.000 0.499 780 H N 0.466 119.289 119.070 -0.412 0.000 2.848 780 H HA 0.214 4.771 4.556 0.001 0.000 0.317 780 H C -1.740 173.390 175.328 -0.330 0.000 1.046 780 H CA -1.411 54.422 56.048 -0.359 0.000 1.470 780 H CB 1.165 30.780 29.762 -0.245 0.000 1.483 780 H HN 0.036 nan 8.280 nan 0.000 0.548 781 P HA -0.248 nan 4.420 nan 0.000 0.216 781 P C 1.194 178.576 177.300 0.136 0.000 1.153 781 P CA 1.071 64.027 63.100 -0.240 0.000 0.858 781 P CB 0.259 31.629 31.700 -0.549 0.000 0.789 782 I N -2.059 118.677 120.570 0.276 0.000 2.394 782 I HA -0.163 4.008 4.170 0.001 0.000 0.251 782 I C 2.196 178.248 176.117 -0.108 0.000 1.136 782 I CA 1.030 62.369 61.300 0.065 0.000 1.425 782 I CB -1.536 36.414 38.000 -0.083 0.000 1.079 782 I HN -0.050 nan 8.210 nan 0.000 0.425 783 F N 2.576 122.362 119.950 -0.274 0.000 2.051 783 F HA -0.257 4.270 4.527 0.001 0.000 0.296 783 F C 2.495 178.105 175.800 -0.317 0.000 1.122 783 F CA 1.870 59.664 58.000 -0.343 0.000 1.201 783 F CB -0.144 38.656 39.000 -0.334 0.000 0.978 783 F HN -0.082 nan 8.300 nan 0.000 0.472 784 K N 0.127 120.528 120.400 0.003 0.000 2.063 784 K HA -0.221 4.099 4.320 0.001 0.000 0.208 784 K C 1.903 178.322 176.600 -0.302 0.000 1.048 784 K CA 1.774 57.824 56.287 -0.395 0.000 0.928 784 K CB -0.696 31.109 32.500 -1.158 0.000 0.713 784 K HN 0.319 nan 8.250 nan 0.000 0.442 785 L N 1.385 122.657 121.223 0.081 0.000 2.046 785 L HA -0.132 4.208 4.340 0.001 0.000 0.208 785 L C 1.903 178.886 176.870 0.188 0.000 1.077 785 L CA 1.533 56.591 54.840 0.363 0.000 0.747 785 L CB -0.284 41.993 42.059 0.363 0.000 0.896 785 L HN 0.134 nan 8.230 nan 0.000 0.432 786 L N -0.981 120.239 121.223 -0.005 0.000 2.072 786 L HA -0.192 4.148 4.340 0.001 0.000 0.205 786 L C 2.636 179.445 176.870 -0.103 0.000 1.079 786 L CA 1.472 56.315 54.840 0.005 0.000 0.752 786 L CB -0.615 41.351 42.059 -0.155 0.000 0.906 786 L HN 0.478 nan 8.230 nan 0.000 0.436 787 Q N 0.763 120.312 119.800 -0.418 0.000 2.146 787 Q HA -0.259 4.082 4.340 0.001 0.000 0.217 787 Q C -0.863 175.044 176.000 -0.154 0.000 1.023 787 Q CA 2.801 58.338 55.803 -0.443 0.000 0.903 787 Q CB -1.055 27.397 28.738 -0.477 0.000 0.990 787 Q HN 0.321 nan 8.270 nan 0.000 0.413 788 P HA -0.097 nan 4.420 nan 0.000 0.242 788 P C 0.151 177.293 177.300 -0.263 0.000 1.197 788 P CA 1.216 64.229 63.100 -0.145 0.000 0.765 788 P CB 0.034 31.724 31.700 -0.018 0.000 0.936 789 H N -0.332 118.757 119.070 0.032 0.000 2.501 789 H HA 0.180 4.736 4.556 0.001 0.000 0.281 789 H C 2.104 177.058 175.328 -0.623 0.000 0.988 789 H CA 0.407 56.383 56.048 -0.119 0.000 1.232 789 H CB -0.255 29.592 29.762 0.141 0.000 1.455 789 H HN 0.115 nan 8.280 nan 0.000 0.501 790 I N -0.344 120.068 120.570 -0.263 0.000 2.800 790 I HA -0.154 4.016 4.170 0.001 0.000 0.266 790 I C 1.133 177.172 176.117 -0.130 0.000 1.249 790 I CA 0.599 61.738 61.300 -0.268 0.000 1.458 790 I CB -0.819 37.148 38.000 -0.054 0.000 1.093 790 I HN -0.046 nan 8.210 nan 0.000 0.466 791 Y N 2.582 122.772 120.300 -0.184 0.000 2.357 791 Y HA 0.421 4.971 4.550 0.001 0.000 0.340 791 Y C 1.473 177.343 175.900 -0.050 0.000 1.260 791 Y CA 0.739 58.826 58.100 -0.022 0.000 1.425 791 Y CB 0.800 39.259 38.460 -0.001 0.000 1.326 791 Y HN 0.304 nan 8.280 nan 0.000 0.580 792 G N 1.775 109.909 108.800 -1.111 0.000 2.900 792 G HA2 -0.373 3.587 3.960 0.001 0.000 0.223 792 G HA3 -0.373 3.587 3.960 0.001 0.000 0.223 792 G C 0.964 175.695 174.900 -0.281 0.000 1.293 792 G CA 0.509 45.151 45.100 -0.763 0.000 0.792 792 G HN 0.840 nan 8.290 nan 0.000 0.527 793 V N 2.243 122.061 119.914 -0.160 0.000 2.255 793 V HA -0.147 3.973 4.120 0.001 0.000 0.247 793 V C 2.937 179.014 176.094 -0.029 0.000 1.051 793 V CA 2.453 64.754 62.300 0.002 0.000 1.018 793 V CB -0.880 31.031 31.823 0.147 0.000 0.641 793 V HN 0.496 nan 8.190 nan 0.000 0.445 794 L N -0.007 121.199 121.223 -0.028 0.000 2.021 794 L HA -0.304 4.037 4.340 0.001 0.000 0.215 794 L C 2.718 179.506 176.870 -0.136 0.000 1.074 794 L CA 1.964 56.783 54.840 -0.034 0.000 0.760 794 L CB -0.766 41.303 42.059 0.016 0.000 0.889 794 L HN 0.436 nan 8.230 nan 0.000 0.433 795 A N -0.216 122.453 122.820 -0.251 0.000 1.841 795 A HA -0.223 4.097 4.320 0.001 0.000 0.214 795 A C 2.155 179.402 177.584 -0.561 0.000 1.195 795 A CA 1.729 53.502 52.037 -0.440 0.000 0.611 795 A CB -0.663 17.894 19.000 -0.738 0.000 0.835 795 A HN 0.330 nan 8.150 nan 0.000 0.443 796 I N 0.251 120.506 120.570 -0.526 0.000 2.286 796 I HA -0.191 3.979 4.170 0.001 0.000 0.248 796 I C 1.305 177.243 176.117 -0.298 0.000 1.115 796 I CA 1.967 63.013 61.300 -0.424 0.000 1.392 796 I CB -0.322 37.599 38.000 -0.132 0.000 1.065 796 I HN 0.256 nan 8.210 nan 0.000 0.418 797 D N -0.115 120.172 120.400 -0.189 0.000 2.178 797 D HA -0.151 4.490 4.640 0.001 0.000 0.202 797 D C 2.350 178.564 176.300 -0.143 0.000 0.974 797 D CA 1.882 55.793 54.000 -0.148 0.000 0.841 797 D CB -0.546 40.225 40.800 -0.048 0.000 0.953 797 D HN 0.528 nan 8.370 nan 0.000 0.478 798 T N -0.744 113.720 114.554 -0.150 0.000 2.777 798 T HA -0.083 4.267 4.350 0.001 0.000 0.266 798 T C 2.286 176.904 174.700 -0.136 0.000 1.040 798 T CA 0.569 62.595 62.100 -0.123 0.000 1.141 798 T CB -0.594 68.207 68.868 -0.112 0.000 0.868 798 T HN 0.116 nan 8.240 nan 0.000 0.444 799 I N 2.127 122.571 120.570 -0.210 0.000 2.069 799 I HA -0.120 4.050 4.170 0.001 0.000 0.237 799 I C 3.057 179.081 176.117 -0.155 0.000 1.053 799 I CA 1.738 62.911 61.300 -0.212 0.000 1.311 799 I CB -1.125 36.645 38.000 -0.383 0.000 1.030 799 I HN 0.462 nan 8.210 nan 0.000 0.398 800 G N 0.464 109.149 108.800 -0.192 0.000 2.564 800 G HA2 -0.200 3.761 3.960 0.001 0.000 0.216 800 G HA3 -0.200 3.761 3.960 0.001 0.000 0.216 800 G C 1.657 176.497 174.900 -0.101 0.000 1.124 800 G CA 0.175 45.182 45.100 -0.154 0.000 0.764 800 G HN 0.365 nan 8.290 nan 0.000 0.550 801 R N -0.630 119.819 120.500 -0.083 0.000 2.235 801 R HA 0.025 4.366 4.340 0.001 0.000 0.213 801 R C 2.056 178.341 176.300 -0.025 0.000 1.059 801 R CA 1.249 57.321 56.100 -0.047 0.000 0.997 801 R CB 0.067 30.341 30.300 -0.043 0.000 0.884 801 R HN 0.255 nan 8.270 nan 0.000 0.462 802 K N -0.214 120.169 120.400 -0.028 0.000 2.511 802 K HA 0.062 4.382 4.320 0.001 0.000 0.209 802 K C 1.386 177.980 176.600 -0.009 0.000 1.301 802 K CA 0.352 56.632 56.287 -0.011 0.000 0.967 802 K CB 0.679 33.175 32.500 -0.007 0.000 1.109 802 K HN -0.108 nan 8.250 nan 0.000 0.561 803 E N 0.455 120.646 120.200 -0.014 0.000 2.045 803 E HA -0.002 4.349 4.350 0.001 0.000 0.190 803 E C 1.652 178.243 176.600 -0.016 0.000 0.968 803 E CA 0.824 57.230 56.400 0.010 0.000 0.813 803 E CB -0.104 29.630 29.700 0.056 0.000 0.780 803 E HN 0.167 nan 8.360 nan 0.000 0.455 804 L N 1.088 122.278 121.223 -0.054 0.000 1.972 804 L HA 0.003 4.343 4.340 0.001 0.000 0.209 804 L C 2.526 179.331 176.870 -0.110 0.000 1.125 804 L CA 0.429 55.215 54.840 -0.089 0.000 0.784 804 L CB -0.509 41.475 42.059 -0.125 0.000 0.902 804 L HN 0.090 nan 8.230 nan 0.000 0.444 805 I N 0.476 120.992 120.570 -0.091 0.000 2.194 805 I HA -0.134 4.037 4.170 0.001 0.000 0.246 805 I C 1.168 177.327 176.117 0.069 0.000 1.093 805 I CA 1.145 62.435 61.300 -0.017 0.000 1.355 805 I CB -1.072 36.980 38.000 0.087 0.000 1.046 805 I HN 0.304 nan 8.210 nan 0.000 0.413 806 G N 1.667 110.482 108.800 0.026 0.000 2.265 806 G HA2 -0.008 3.953 3.960 0.001 0.000 0.240 806 G HA3 -0.008 3.953 3.960 0.001 0.000 0.240 806 G C 0.102 175.018 174.900 0.026 0.000 1.270 806 G CA -0.040 45.079 45.100 0.031 0.000 0.901 806 G HN 0.474 nan 8.290 nan 0.000 0.507 807 S N 0.760 116.483 115.700 0.039 0.000 2.558 807 S HA 0.353 4.823 4.470 0.001 0.000 0.293 807 S C 1.671 176.270 174.600 -0.001 0.000 1.292 807 S CA 1.085 59.302 58.200 0.028 0.000 1.063 807 S CB 0.561 63.782 63.200 0.033 0.000 0.831 807 S HN 1.995 nan 8.310 nan 0.000 0.499 808 G N 2.527 111.310 108.800 -0.028 0.000 2.175 808 G HA2 -0.245 3.716 3.960 0.001 0.000 0.265 808 G HA3 -0.245 3.716 3.960 0.001 0.000 0.265 808 G C 0.569 175.444 174.900 -0.042 0.000 0.979 808 G CA 0.463 45.539 45.100 -0.040 0.000 0.663 808 G HN 1.071 nan 8.290 nan 0.000 0.533 809 G N -0.579 108.194 108.800 -0.044 0.000 2.580 809 G HA2 0.434 4.395 3.960 0.001 0.000 0.225 809 G HA3 0.434 4.395 3.960 0.001 0.000 0.225 809 G C 1.416 176.281 174.900 -0.058 0.000 1.521 809 G CA 0.263 45.339 45.100 -0.039 0.000 1.068 809 G HN 0.606 nan 8.290 nan 0.000 0.564 810 I N -0.706 119.832 120.570 -0.053 0.000 2.406 810 I HA 0.007 4.177 4.170 0.001 0.000 0.249 810 I C 2.201 178.258 176.117 -0.099 0.000 1.122 810 I CA 1.313 62.580 61.300 -0.055 0.000 1.431 810 I CB -0.119 37.871 38.000 -0.016 0.000 1.087 810 I HN 0.129 nan 8.210 nan 0.000 0.424 811 V N 1.609 121.431 119.914 -0.154 0.000 3.573 811 V HA -0.077 4.043 4.120 0.001 0.000 0.270 811 V C 0.876 176.814 176.094 -0.261 0.000 1.221 811 V CA 1.269 63.431 62.300 -0.231 0.000 1.163 811 V CB -0.757 30.856 31.823 -0.349 0.000 0.847 811 V HN 0.420 nan 8.190 nan 0.000 0.468 812 D N -1.004 119.266 120.400 -0.217 0.000 2.339 812 D HA 0.054 4.694 4.640 0.001 0.000 0.217 812 D C 1.575 177.688 176.300 -0.312 0.000 1.050 812 D CA 0.241 54.081 54.000 -0.266 0.000 0.856 812 D CB 0.454 41.123 40.800 -0.218 0.000 0.922 812 D HN 0.444 nan 8.370 nan 0.000 0.518 813 Q N -1.100 118.585 119.800 -0.192 0.000 2.123 813 Q HA 0.073 4.413 4.340 0.001 0.000 0.244 813 Q C 1.577 177.527 176.000 -0.083 0.000 0.769 813 Q CA 0.127 55.850 55.803 -0.133 0.000 0.938 813 Q CB 0.784 29.467 28.738 -0.092 0.000 1.170 813 Q HN 0.234 nan 8.270 nan 0.000 0.469 814 S N -0.359 115.292 115.700 -0.082 0.000 2.398 814 S HA 0.170 4.641 4.470 0.001 0.000 0.220 814 S C 1.028 175.602 174.600 -0.042 0.000 1.046 814 S CA -0.041 58.129 58.200 -0.050 0.000 0.953 814 S CB -0.082 63.094 63.200 -0.039 0.000 0.856 814 S HN 0.099 nan 8.310 nan 0.000 0.506 815 L N 0.695 121.883 121.223 -0.058 0.000 2.657 815 L HA 0.460 4.801 4.340 0.001 0.000 0.240 815 L C 1.923 178.784 176.870 -0.015 0.000 1.151 815 L CA -0.060 54.760 54.840 -0.033 0.000 0.831 815 L CB 0.576 42.608 42.059 -0.045 0.000 1.539 815 L HN 0.328 nan 8.230 nan 0.000 0.511 816 S N -0.644 115.061 115.700 0.009 0.000 2.456 816 S HA 0.183 4.654 4.470 0.001 0.000 0.224 816 S C 1.166 175.798 174.600 0.054 0.000 1.035 816 S CA 0.057 58.283 58.200 0.044 0.000 0.940 816 S CB 0.039 63.277 63.200 0.063 0.000 0.799 816 S HN 0.447 nan 8.310 nan 0.000 0.508 817 L N 2.399 123.636 121.223 0.024 0.000 2.805 817 L HA 0.370 4.710 4.340 0.001 0.000 0.237 817 L C 1.018 177.966 176.870 0.130 0.000 1.252 817 L CA -0.555 54.313 54.840 0.047 0.000 1.064 817 L CB -0.507 41.531 42.059 -0.036 0.000 1.361 817 L HN 0.254 nan 8.230 nan 0.000 0.474 818 G N -1.171 107.674 108.800 0.074 0.000 2.476 818 G HA2 0.442 4.403 3.960 0.001 0.000 0.286 818 G HA3 0.442 4.403 3.960 0.001 0.000 0.286 818 G C 0.787 175.722 174.900 0.058 0.000 1.177 818 G CA 0.336 45.458 45.100 0.037 0.000 0.870 818 G HN 0.343 nan 8.290 nan 0.000 0.528 819 G N -1.421 107.416 108.800 0.062 0.000 2.165 819 G HA2 0.292 4.252 3.960 0.001 0.000 0.226 819 G HA3 0.292 4.252 3.960 0.001 0.000 0.226 819 G C 1.197 176.168 174.900 0.118 0.000 1.035 819 G CA 0.806 45.959 45.100 0.088 0.000 0.744 819 G HN 2.549 nan 8.290 nan 0.000 0.501 820 G N -1.523 107.290 108.800 0.021 0.000 2.349 820 G HA2 0.064 4.024 3.960 0.001 0.000 0.213 820 G HA3 0.064 4.024 3.960 0.001 0.000 0.213 820 G C 2.023 176.766 174.900 -0.261 0.000 1.044 820 G CA 1.102 46.093 45.100 -0.182 0.000 0.633 820 G HN 1.919 nan 8.290 nan 0.000 0.506 821 G N 0.929 109.695 108.800 -0.057 0.000 2.470 821 G HA2 -0.027 3.934 3.960 0.001 0.000 0.220 821 G HA3 -0.027 3.934 3.960 0.001 0.000 0.220 821 G C 1.394 176.309 174.900 0.026 0.000 1.121 821 G CA 2.021 47.125 45.100 0.008 0.000 0.766 821 G HN 0.995 nan 8.290 nan 0.000 0.553 822 H N -0.334 118.765 119.070 0.048 0.000 2.436 822 H HA 0.068 4.625 4.556 0.001 0.000 0.294 822 H C 2.274 177.670 175.328 0.113 0.000 1.048 822 H CA 1.055 57.144 56.048 0.068 0.000 1.353 822 H CB -0.716 29.056 29.762 0.018 0.000 1.414 822 H HN 0.199 nan 8.280 nan 0.000 0.536 823 V N 1.585 121.294 119.914 -0.342 0.000 2.515 823 V HA -0.213 3.907 4.120 0.001 0.000 0.250 823 V C 2.591 178.677 176.094 -0.014 0.000 1.058 823 V CA 1.896 64.114 62.300 -0.138 0.000 1.064 823 V CB -0.903 30.793 31.823 -0.212 0.000 0.675 823 V HN 0.420 nan 8.190 nan 0.000 0.461 824 T N 0.292 114.848 114.554 0.003 0.000 2.580 824 T HA -0.249 4.102 4.350 0.001 0.000 0.265 824 T C 1.681 176.462 174.700 0.135 0.000 1.063 824 T CA 2.316 64.455 62.100 0.066 0.000 1.170 824 T CB -0.463 68.457 68.868 0.086 0.000 0.863 824 T HN 0.374 nan 8.240 nan 0.000 0.418 825 F N 1.723 121.691 119.950 0.030 0.000 2.063 825 F HA -0.203 4.325 4.527 0.001 0.000 0.298 825 F C 2.389 178.218 175.800 0.048 0.000 1.109 825 F CA 1.459 59.494 58.000 0.060 0.000 1.212 825 F CB -0.430 38.625 39.000 0.091 0.000 0.973 825 F HN 0.089 nan 8.300 nan 0.000 0.480 826 M N -0.308 119.406 119.600 0.188 0.000 2.073 826 M HA -0.261 4.220 4.480 0.001 0.000 0.258 826 M C 2.070 178.388 176.300 0.030 0.000 1.070 826 M CA 1.891 57.238 55.300 0.078 0.000 1.103 826 M CB -1.557 31.088 32.600 0.074 0.000 1.321 826 M HN 0.244 nan 8.290 nan 0.000 0.405 827 E N 0.384 120.600 120.200 0.028 0.000 2.023 827 E HA -0.214 4.136 4.350 0.001 0.000 0.196 827 E C 2.149 178.748 176.600 -0.002 0.000 1.003 827 E CA 1.400 57.816 56.400 0.026 0.000 0.809 827 E CB -0.249 29.456 29.700 0.008 0.000 0.755 827 E HN 0.424 nan 8.360 nan 0.000 0.449 828 K N 0.572 120.940 120.400 -0.052 0.000 2.152 828 K HA -0.173 4.147 4.320 0.001 0.000 0.206 828 K C 2.043 178.548 176.600 -0.159 0.000 1.048 828 K CA 1.458 57.678 56.287 -0.111 0.000 0.933 828 K CB -0.088 32.344 32.500 -0.113 0.000 0.721 828 K HN 0.212 nan 8.250 nan 0.000 0.447 829 C N -0.015 119.165 119.300 -0.201 0.000 2.486 829 C HA -0.015 4.445 4.460 0.001 0.000 0.279 829 C C 2.284 177.237 174.990 -0.061 0.000 1.302 829 C CA -0.081 58.819 59.018 -0.197 0.000 1.720 829 C CB -1.008 26.567 27.740 -0.275 0.000 2.030 829 C HN 0.544 nan 8.230 nan 0.000 0.490 830 F N 2.382 122.247 119.950 -0.142 0.000 2.333 830 F HA -0.110 4.417 4.527 0.001 0.000 0.300 830 F C 2.125 177.934 175.800 0.015 0.000 1.083 830 F CA 1.373 59.312 58.000 -0.102 0.000 1.395 830 F CB -0.480 38.458 39.000 -0.104 0.000 1.056 830 F HN 0.188 nan 8.300 nan 0.000 0.529 831 K N -0.081 120.260 120.400 -0.098 0.000 2.211 831 K HA -0.188 4.133 4.320 0.001 0.000 0.204 831 K C 0.531 177.044 176.600 -0.144 0.000 1.047 831 K CA 1.616 57.797 56.287 -0.176 0.000 0.935 831 K CB -0.190 32.184 32.500 -0.209 0.000 0.728 831 K HN 0.276 nan 8.250 nan 0.000 0.452 832 E N 0.502 120.621 120.200 -0.136 0.000 3.105 832 E HA 0.102 4.452 4.350 0.001 0.000 0.219 832 E C -1.522 175.016 176.600 -0.104 0.000 1.064 832 E CA -0.177 56.156 56.400 -0.111 0.000 1.342 832 E CB 1.128 30.779 29.700 -0.082 0.000 1.295 832 E HN -0.122 nan 8.360 nan 0.000 0.438 833 V N 1.708 121.537 119.914 -0.142 0.000 2.347 833 V HA 0.350 4.471 4.120 0.001 0.000 0.280 833 V C -0.229 175.920 176.094 0.092 0.000 1.021 833 V CA -0.967 61.264 62.300 -0.116 0.000 0.847 833 V CB 1.254 32.879 31.823 -0.330 0.000 0.990 833 V HN 0.257 nan 8.190 nan 0.000 0.444 834 N N 3.181 121.959 118.700 0.129 0.000 2.342 834 N HA 0.319 5.059 4.740 0.001 0.000 0.293 834 N C 0.411 176.158 175.510 0.395 0.000 1.026 834 N CA -0.739 52.456 53.050 0.242 0.000 0.857 834 N CB 1.847 40.410 38.487 0.126 0.000 1.256 834 N HN 0.501 nan 8.380 nan 0.000 0.484 835 L N 2.734 124.297 121.223 0.567 0.000 2.351 835 L HA -0.109 4.232 4.340 0.001 0.000 0.220 835 L C 1.721 178.916 176.870 0.542 0.000 1.127 835 L CA 1.676 56.925 54.840 0.681 0.000 0.786 835 L CB -0.223 42.118 42.059 0.470 0.000 0.914 835 L HN 0.642 nan 8.230 nan 0.000 0.443 836 Q N -0.429 119.580 119.800 0.348 0.000 2.124 836 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 836 Q C 1.700 177.821 176.000 0.201 0.000 0.977 836 Q CA 1.638 57.589 55.803 0.247 0.000 0.850 836 Q CB -0.402 28.419 28.738 0.139 0.000 0.901 836 Q HN 0.607 nan 8.270 nan 0.000 0.429 837 D N -0.335 120.130 120.400 0.108 0.000 2.322 837 D HA -0.188 4.453 4.640 0.001 0.000 0.210 837 D C 1.319 177.514 176.300 -0.174 0.000 0.983 837 D CA 1.201 55.141 54.000 -0.099 0.000 0.902 837 D CB -0.109 40.526 40.800 -0.274 0.000 0.905 837 D HN 0.426 nan 8.370 nan 0.000 0.483 838 Y N -1.072 119.339 120.300 0.184 0.000 2.503 838 Y HA 0.070 4.621 4.550 0.001 0.000 0.277 838 Y C 1.017 176.987 175.900 0.116 0.000 1.102 838 Y CA -0.180 58.042 58.100 0.204 0.000 1.261 838 Y CB -0.263 38.348 38.460 0.252 0.000 1.096 838 Y HN -0.015 nan 8.280 nan 0.000 0.546 839 H N 1.756 120.903 119.070 0.128 0.000 3.440 839 H HA -0.038 4.519 4.556 0.001 0.000 0.232 839 H C 1.424 176.400 175.328 -0.586 0.000 1.130 839 H CA -0.294 55.630 56.048 -0.207 0.000 1.459 839 H CB 0.064 29.819 29.762 -0.011 0.000 1.607 839 H HN 0.253 nan 8.280 nan 0.000 0.515 840 L N 7.705 128.284 121.223 -1.074 0.000 2.013 840 L HA -0.117 4.224 4.340 0.001 0.000 0.212 840 L C -0.732 175.814 176.870 -0.540 0.000 1.073 840 L CA 1.663 56.046 54.840 -0.762 0.000 0.753 840 L CB -0.605 40.842 42.059 -1.020 0.000 0.890 840 L HN 0.600 nan 8.230 nan 0.000 0.432 841 P HA -0.128 nan 4.420 nan 0.000 0.217 841 P C 0.955 178.178 177.300 -0.129 0.000 1.151 841 P CA 1.710 64.626 63.100 -0.307 0.000 0.828 841 P CB -0.338 31.194 31.700 -0.280 0.000 0.788 842 N N 0.036 118.694 118.700 -0.069 0.000 2.166 842 N HA -0.088 4.652 4.740 0.001 0.000 0.186 842 N C 1.900 177.364 175.510 -0.076 0.000 1.019 842 N CA 0.933 53.903 53.050 -0.134 0.000 0.856 842 N CB -0.252 38.047 38.487 -0.313 0.000 0.993 842 N HN 0.101 nan 8.380 nan 0.000 0.426 843 A N 0.573 123.358 122.820 -0.058 0.000 1.930 843 A HA 0.007 4.327 4.320 0.001 0.000 0.215 843 A C 1.909 179.494 177.584 0.000 0.000 1.176 843 A CA 0.719 52.743 52.037 -0.022 0.000 0.632 843 A CB -0.248 18.745 19.000 -0.012 0.000 0.819 843 A HN 0.068 nan 8.150 nan 0.000 0.445 844 L N -0.229 120.993 121.223 -0.003 0.000 2.141 844 L HA -0.045 4.296 4.340 0.001 0.000 0.209 844 L C 2.262 179.144 176.870 0.021 0.000 1.094 844 L CA 2.048 56.911 54.840 0.039 0.000 0.763 844 L CB -0.685 41.407 42.059 0.055 0.000 0.908 844 L HN 0.418 nan 8.230 nan 0.000 0.437 845 K N 0.024 120.421 120.400 -0.005 0.000 2.076 845 K HA -0.161 4.160 4.320 0.001 0.000 0.204 845 K C 2.160 178.759 176.600 -0.002 0.000 1.051 845 K CA 1.049 57.333 56.287 -0.005 0.000 0.949 845 K CB -0.063 32.424 32.500 -0.021 0.000 0.726 845 K HN 0.075 nan 8.250 nan 0.000 0.443 846 K N 0.370 120.765 120.400 -0.008 0.000 2.218 846 K HA -0.153 4.167 4.320 0.001 0.000 0.205 846 K C 1.237 177.844 176.600 0.011 0.000 1.046 846 K CA 1.380 57.665 56.287 -0.003 0.000 0.933 846 K CB 0.090 32.585 32.500 -0.008 0.000 0.728 846 K HN 0.096 nan 8.250 nan 0.000 0.454 847 R N -0.959 119.555 120.500 0.023 0.000 2.362 847 R HA 0.096 4.437 4.340 0.001 0.000 0.227 847 R C 0.704 177.039 176.300 0.057 0.000 0.905 847 R CA 0.534 56.658 56.100 0.041 0.000 1.067 847 R CB 0.685 31.015 30.300 0.049 0.000 1.078 847 R HN 0.394 nan 8.270 nan 0.000 0.516 848 G N 1.359 110.186 108.800 0.043 0.000 2.225 848 G HA2 -0.264 3.697 3.960 0.001 0.000 0.267 848 G HA3 -0.264 3.697 3.960 0.001 0.000 0.267 848 G C 0.458 175.429 174.900 0.119 0.000 1.024 848 G CA 0.599 45.732 45.100 0.054 0.000 0.784 848 G HN 0.337 nan 8.290 nan 0.000 0.507 849 V N 0.071 120.027 119.914 0.069 0.000 3.528 849 V HA 0.221 4.341 4.120 0.001 0.000 0.294 849 V C 1.569 177.621 176.094 -0.069 0.000 1.404 849 V CA 1.253 63.539 62.300 -0.023 0.000 1.065 849 V CB 0.321 32.041 31.823 -0.172 0.000 0.904 849 V HN 0.504 nan 8.190 nan 0.000 0.435 850 D N -1.235 119.175 120.400 0.016 0.000 2.340 850 D HA 0.036 4.677 4.640 0.001 0.000 0.217 850 D C 0.498 176.822 176.300 0.040 0.000 1.081 850 D CA -0.088 53.938 54.000 0.043 0.000 0.842 850 D CB -0.189 40.636 40.800 0.041 0.000 0.934 850 D HN 0.287 nan 8.370 nan 0.000 0.511 851 D N 2.022 122.441 120.400 0.031 0.000 2.453 851 D HA 0.077 4.717 4.640 0.001 0.000 0.223 851 D C -1.461 174.860 176.300 0.034 0.000 1.183 851 D CA -1.860 52.160 54.000 0.032 0.000 0.933 851 D CB 1.350 42.168 40.800 0.029 0.000 1.038 851 D HN 0.050 nan 8.370 nan 0.000 0.513 852 P HA -0.069 nan 4.420 nan 0.000 0.242 852 P C 0.583 177.915 177.300 0.054 0.000 1.198 852 P CA 0.502 63.636 63.100 0.056 0.000 0.756 852 P CB 0.242 31.983 31.700 0.069 0.000 0.911 853 S N -1.435 114.293 115.700 0.046 0.000 2.539 853 S HA 0.196 4.666 4.470 0.001 0.000 0.226 853 S C 1.638 176.277 174.600 0.064 0.000 1.054 853 S CA -0.210 58.022 58.200 0.054 0.000 0.910 853 S CB -0.102 63.127 63.200 0.050 0.000 0.818 853 S HN 0.087 nan 8.310 nan 0.000 0.490 854 K N 0.423 120.845 120.400 0.037 0.000 2.361 854 K HA 0.309 4.629 4.320 0.001 0.000 0.196 854 K C -0.420 176.239 176.600 0.099 0.000 1.039 854 K CA 0.312 56.605 56.287 0.008 0.000 1.001 854 K CB 0.174 32.630 32.500 -0.072 0.000 0.795 854 K HN 0.243 nan 8.250 nan 0.000 0.495 855 L N 1.711 122.958 121.223 0.041 0.000 2.518 855 L HA 0.375 4.716 4.340 0.001 0.000 0.262 855 L C -3.017 173.825 176.870 -0.048 0.000 0.982 855 L CA -2.047 52.754 54.840 -0.066 0.000 0.873 855 L CB 1.600 43.476 42.059 -0.305 0.000 1.198 855 L HN -0.183 nan 8.230 nan 0.000 0.427 856 P HA 0.534 nan 4.420 nan 0.000 0.290 856 P C -0.027 177.263 177.300 -0.016 0.000 1.283 856 P CA -0.122 62.988 63.100 0.016 0.000 0.869 856 P CB 1.621 33.343 31.700 0.036 0.000 1.100 857 G N 1.055 109.837 108.800 -0.030 0.000 2.370 857 G HA2 -0.255 3.705 3.960 0.001 0.000 0.295 857 G HA3 -0.255 3.705 3.960 0.001 0.000 0.295 857 G C -0.565 173.997 174.900 -0.563 0.000 1.045 857 G CA -0.338 44.531 45.100 -0.386 0.000 1.199 857 G HN 0.485 nan 8.290 nan 0.000 0.513 858 F N 1.810 121.415 119.950 -0.574 0.000 2.530 858 F HA 0.524 5.052 4.527 0.001 0.000 0.318 858 F C 1.391 177.024 175.800 -0.278 0.000 1.356 858 F CA -2.112 55.657 58.000 -0.386 0.000 1.135 858 F CB -0.033 38.842 39.000 -0.208 0.000 1.315 858 F HN 0.292 nan 8.300 nan 0.000 0.549 859 Y N -0.052 120.121 120.300 -0.211 0.000 2.256 859 Y HA -0.351 4.200 4.550 0.001 0.000 0.288 859 Y C 2.253 177.747 175.900 -0.675 0.000 1.155 859 Y CA 1.717 59.604 58.100 -0.356 0.000 1.203 859 Y CB -0.695 37.611 38.460 -0.256 0.000 0.980 859 Y HN 0.514 nan 8.280 nan 0.000 0.530 860 Y N 1.637 121.325 120.300 -1.019 0.000 2.040 860 Y HA -0.378 4.173 4.550 0.001 0.000 0.275 860 Y C 2.786 178.389 175.900 -0.495 0.000 1.171 860 Y CA 2.145 59.743 58.100 -0.837 0.000 1.123 860 Y CB -0.546 37.446 38.460 -0.780 0.000 0.963 860 Y HN -0.002 nan 8.280 nan 0.000 0.493 861 R N 0.375 120.527 120.500 -0.579 0.000 2.113 861 R HA -0.231 4.110 4.340 0.001 0.000 0.231 861 R C 1.859 178.067 176.300 -0.153 0.000 1.129 861 R CA 2.467 58.418 56.100 -0.248 0.000 0.915 861 R CB -0.840 29.537 30.300 0.128 0.000 0.837 861 R HN 0.390 nan 8.270 nan 0.000 0.430 862 D N 0.413 120.774 120.400 -0.065 0.000 2.200 862 D HA -0.206 4.434 4.640 0.001 0.000 0.192 862 D C 1.553 177.855 176.300 0.003 0.000 1.008 862 D CA 1.905 55.918 54.000 0.022 0.000 0.872 862 D CB -0.404 40.463 40.800 0.112 0.000 0.923 862 D HN 0.425 nan 8.370 nan 0.000 0.447 863 D N -0.695 119.674 120.400 -0.052 0.000 2.214 863 D HA 0.026 4.667 4.640 0.001 0.000 0.217 863 D C 2.306 178.613 176.300 0.013 0.000 0.973 863 D CA 1.270 55.267 54.000 -0.004 0.000 0.880 863 D CB -0.956 39.849 40.800 0.008 0.000 1.031 863 D HN 0.260 nan 8.370 nan 0.000 0.468 864 G N 1.591 110.333 108.800 -0.098 0.000 2.550 864 G HA2 -0.256 3.704 3.960 0.001 0.000 0.222 864 G HA3 -0.256 3.704 3.960 0.001 0.000 0.222 864 G C 1.741 176.697 174.900 0.093 0.000 1.113 864 G CA 0.627 45.735 45.100 0.013 0.000 0.748 864 G HN 0.202 nan 8.290 nan 0.000 0.585 865 L N 0.367 121.585 121.223 -0.007 0.000 1.961 865 L HA -0.102 4.239 4.340 0.001 0.000 0.210 865 L C 3.460 180.414 176.870 0.141 0.000 1.072 865 L CA 1.362 56.221 54.840 0.032 0.000 0.749 865 L CB -0.757 41.305 42.059 0.006 0.000 0.889 865 L HN 0.333 nan 8.230 nan 0.000 0.432 866 A N -0.037 122.852 122.820 0.115 0.000 1.940 866 A HA -0.188 4.133 4.320 0.001 0.000 0.219 866 A C 2.238 179.919 177.584 0.161 0.000 1.176 866 A CA 1.530 53.641 52.037 0.123 0.000 0.631 866 A CB -0.716 18.339 19.000 0.092 0.000 0.814 866 A HN 0.384 nan 8.150 nan 0.000 0.446 867 L N -1.838 119.509 121.223 0.207 0.000 2.005 867 L HA -0.201 4.140 4.340 0.001 0.000 0.207 867 L C 2.650 179.696 176.870 0.294 0.000 1.072 867 L CA 1.571 56.574 54.840 0.271 0.000 0.744 867 L CB -0.650 41.609 42.059 0.334 0.000 0.895 867 L HN 0.789 nan 8.230 nan 0.000 0.433 868 W N 1.800 123.161 121.300 0.102 0.000 2.318 868 W HA -0.276 4.384 4.660 0.001 0.000 0.313 868 W C 2.226 178.716 176.519 -0.048 0.000 1.221 868 W CA 2.331 59.630 57.345 -0.077 0.000 1.266 868 W CB -0.196 29.054 29.460 -0.350 0.000 1.150 868 W HN 0.332 nan 8.180 nan 0.000 0.496 869 E N 0.200 120.524 120.200 0.207 0.000 2.038 869 E HA -0.209 4.142 4.350 0.001 0.000 0.195 869 E C 2.437 179.034 176.600 -0.005 0.000 1.000 869 E CA 1.890 58.355 56.400 0.109 0.000 0.803 869 E CB -0.456 29.324 29.700 0.134 0.000 0.750 869 E HN 0.168 nan 8.360 nan 0.000 0.448 870 A N 0.862 123.712 122.820 0.051 0.000 1.908 870 A HA -0.189 4.131 4.320 0.001 0.000 0.218 870 A C 2.169 179.696 177.584 -0.094 0.000 1.181 870 A CA 1.419 53.494 52.037 0.062 0.000 0.627 870 A CB -0.648 18.465 19.000 0.190 0.000 0.818 870 A HN 0.329 nan 8.150 nan 0.000 0.445 871 I N -0.883 119.602 120.570 -0.141 0.000 2.252 871 I HA -0.243 3.928 4.170 0.001 0.000 0.245 871 I C 2.560 178.470 176.117 -0.346 0.000 1.102 871 I CA 1.709 62.814 61.300 -0.324 0.000 1.385 871 I CB -0.318 37.580 38.000 -0.171 0.000 1.064 871 I HN 0.545 nan 8.210 nan 0.000 0.414 872 E N 0.754 120.705 120.200 -0.416 0.000 2.023 872 E HA -0.237 4.113 4.350 0.001 0.000 0.196 872 E C 2.050 178.505 176.600 -0.242 0.000 1.003 872 E CA 2.336 58.495 56.400 -0.401 0.000 0.809 872 E CB 0.008 29.451 29.700 -0.429 0.000 0.755 872 E HN 0.382 nan 8.360 nan 0.000 0.449 873 T N 0.838 115.294 114.554 -0.164 0.000 2.653 873 T HA -0.235 4.115 4.350 0.001 0.000 0.268 873 T C 1.433 176.058 174.700 -0.125 0.000 1.035 873 T CA 1.630 63.667 62.100 -0.105 0.000 1.154 873 T CB -0.565 68.279 68.868 -0.039 0.000 0.862 873 T HN 0.268 nan 8.240 nan 0.000 0.441 874 F N 2.058 121.807 119.950 -0.334 0.000 2.022 874 F HA -0.010 4.517 4.527 0.001 0.000 0.293 874 F C 2.136 177.739 175.800 -0.328 0.000 1.142 874 F CA 0.866 58.632 58.000 -0.391 0.000 1.177 874 F CB -0.690 37.836 39.000 -0.789 0.000 0.982 874 F HN 0.013 nan 8.300 nan 0.000 0.473 875 I N 0.972 121.259 120.570 -0.471 0.000 2.182 875 I HA -0.397 3.773 4.170 0.001 0.000 0.248 875 I C 2.649 178.513 176.117 -0.421 0.000 1.073 875 I CA 1.602 62.616 61.300 -0.475 0.000 1.335 875 I CB -1.910 35.931 38.000 -0.265 0.000 1.031 875 I HN 0.455 nan 8.210 nan 0.000 0.420 876 G N 1.848 110.453 108.800 -0.325 0.000 2.628 876 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 876 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 876 G C 1.441 176.185 174.900 -0.259 0.000 1.240 876 G CA 1.218 46.172 45.100 -0.244 0.000 0.792 876 G HN 0.642 nan 8.290 nan 0.000 0.593 877 E N 0.252 120.274 120.200 -0.297 0.000 2.204 877 E HA -0.059 4.292 4.350 0.001 0.000 0.194 877 E C 2.459 178.814 176.600 -0.407 0.000 0.989 877 E CA 0.596 56.818 56.400 -0.297 0.000 0.824 877 E CB -0.272 29.275 29.700 -0.255 0.000 0.756 877 E HN 0.366 nan 8.360 nan 0.000 0.477 878 I N 2.023 122.257 120.570 -0.559 0.000 2.151 878 I HA -0.272 3.899 4.170 0.001 0.000 0.243 878 I C 2.546 178.459 176.117 -0.339 0.000 1.080 878 I CA 1.094 62.036 61.300 -0.597 0.000 1.339 878 I CB -0.750 36.807 38.000 -0.737 0.000 1.039 878 I HN 0.138 nan 8.210 nan 0.000 0.409 879 I N 1.142 121.601 120.570 -0.185 0.000 2.127 879 I HA -0.269 3.902 4.170 0.001 0.000 0.241 879 I C 2.829 178.953 176.117 0.013 0.000 1.075 879 I CA 1.777 63.107 61.300 0.049 0.000 1.334 879 I CB -1.836 36.148 38.000 -0.028 0.000 1.040 879 I HN 0.136 nan 8.210 nan 0.000 0.405 880 A N 0.872 123.622 122.820 -0.117 0.000 1.978 880 A HA -0.169 4.152 4.320 0.001 0.000 0.220 880 A C 2.414 179.887 177.584 -0.184 0.000 1.170 880 A CA 1.400 53.367 52.037 -0.117 0.000 0.636 880 A CB -0.760 18.156 19.000 -0.139 0.000 0.810 880 A HN 0.421 nan 8.150 nan 0.000 0.448 881 I N -2.068 118.283 120.570 -0.364 0.000 2.202 881 I HA -0.232 3.938 4.170 0.001 0.000 0.242 881 I C 2.216 178.055 176.117 -0.463 0.000 1.091 881 I CA 1.584 62.555 61.300 -0.548 0.000 1.368 881 I CB -0.260 37.158 38.000 -0.969 0.000 1.058 881 I HN 0.414 nan 8.210 nan 0.000 0.410 882 F N -1.377 118.486 119.950 -0.145 0.000 2.383 882 F HA 0.071 4.599 4.527 0.001 0.000 0.287 882 F C 0.454 176.086 175.800 -0.280 0.000 1.069 882 F CA -0.363 57.489 58.000 -0.247 0.000 1.402 882 F CB -0.105 38.680 39.000 -0.359 0.000 1.116 882 F HN -0.178 nan 8.300 nan 0.000 0.549 883 Y N 1.818 122.180 120.300 0.103 0.000 2.425 883 Y HA 0.193 4.743 4.550 0.001 0.000 0.347 883 Y C 1.114 177.023 175.900 0.015 0.000 0.976 883 Y CA -0.682 57.456 58.100 0.065 0.000 1.190 883 Y CB 0.582 39.066 38.460 0.039 0.000 1.136 883 Y HN -0.188 nan 8.280 nan 0.000 0.517 884 K N 2.292 122.784 120.400 0.153 0.000 2.400 884 K HA 0.061 4.381 4.320 0.001 0.000 0.194 884 K C -0.415 176.221 176.600 0.060 0.000 1.033 884 K CA 0.316 56.645 56.287 0.070 0.000 1.021 884 K CB -0.195 32.330 32.500 0.042 0.000 0.808 884 K HN 0.925 nan 8.250 nan 0.000 0.505 885 N N -1.833 116.922 118.700 0.092 0.000 3.452 885 N HA 0.001 4.741 4.740 0.001 0.000 0.231 885 N C -0.649 174.902 175.510 0.069 0.000 1.264 885 N CA -0.358 52.725 53.050 0.055 0.000 0.928 885 N CB 0.288 38.792 38.487 0.029 0.000 1.547 885 N HN -0.366 nan 8.380 nan 0.000 0.509 886 D N -0.145 120.274 120.400 0.033 0.000 2.271 886 D HA -0.149 4.491 4.640 0.001 0.000 0.207 886 D C 0.861 177.189 176.300 0.045 0.000 0.983 886 D CA 1.442 55.456 54.000 0.023 0.000 0.878 886 D CB -0.192 40.613 40.800 0.008 0.000 0.920 886 D HN 0.764 nan 8.370 nan 0.000 0.479 887 D N 0.456 120.877 120.400 0.037 0.000 2.149 887 D HA -0.155 4.485 4.640 0.001 0.000 0.198 887 D C 1.242 177.559 176.300 0.028 0.000 0.990 887 D CA 1.110 55.120 54.000 0.017 0.000 0.839 887 D CB 0.058 40.851 40.800 -0.012 0.000 0.948 887 D HN -0.008 nan 8.370 nan 0.000 0.460 888 D N -0.439 120.018 120.400 0.095 0.000 2.097 888 D HA -0.116 4.525 4.640 0.001 0.000 0.195 888 D C 2.356 178.893 176.300 0.395 0.000 0.989 888 D CA 0.798 54.939 54.000 0.234 0.000 0.827 888 D CB -0.488 40.535 40.800 0.371 0.000 0.966 888 D HN 0.163 nan 8.370 nan 0.000 0.456 889 V N 1.360 121.447 119.914 0.289 0.000 2.282 889 V HA -0.289 3.832 4.120 0.001 0.000 0.249 889 V C 2.362 178.567 176.094 0.185 0.000 1.057 889 V CA 1.702 64.084 62.300 0.138 0.000 1.032 889 V CB -0.453 31.308 31.823 -0.104 0.000 0.645 889 V HN 0.187 nan 8.190 nan 0.000 0.447 890 K N 0.394 120.875 120.400 0.136 0.000 2.001 890 K HA -0.236 4.085 4.320 0.001 0.000 0.214 890 K C 2.232 178.920 176.600 0.148 0.000 1.050 890 K CA 2.201 58.561 56.287 0.122 0.000 0.934 890 K CB -0.354 32.187 32.500 0.068 0.000 0.718 890 K HN 0.577 nan 8.250 nan 0.000 0.443 891 R N 1.052 121.632 120.500 0.133 0.000 2.307 891 R HA -0.021 4.319 4.340 0.001 0.000 0.199 891 R C 0.138 176.645 176.300 0.346 0.000 1.000 891 R CA 0.610 56.779 56.100 0.115 0.000 1.023 891 R CB -0.180 30.057 30.300 -0.105 0.000 0.908 891 R HN 0.010 nan 8.270 nan 0.000 0.473 892 D N 2.319 123.033 120.400 0.524 0.000 2.359 892 D HA -0.047 4.593 4.640 0.001 0.000 0.250 892 D C 0.369 176.865 176.300 0.327 0.000 1.264 892 D CA -0.280 54.041 54.000 0.535 0.000 0.911 892 D CB 0.600 41.702 40.800 0.503 0.000 1.056 892 D HN 0.437 nan 8.370 nan 0.000 0.499 893 N N 2.868 121.718 118.700 0.250 0.000 2.331 893 N HA -0.156 4.585 4.740 0.001 0.000 0.180 893 N C 1.099 176.718 175.510 0.183 0.000 1.019 893 N CA 0.721 53.879 53.050 0.181 0.000 0.881 893 N CB 0.077 38.643 38.487 0.131 0.000 0.972 893 N HN 0.449 nan 8.380 nan 0.000 0.435 894 E N 0.086 120.404 120.200 0.198 0.000 2.016 894 E HA -0.110 4.241 4.350 0.001 0.000 0.190 894 E C 1.590 178.314 176.600 0.207 0.000 0.985 894 E CA 0.861 57.371 56.400 0.183 0.000 0.802 894 E CB -0.101 29.713 29.700 0.190 0.000 0.762 894 E HN 0.295 nan 8.360 nan 0.000 0.448 895 I N 1.484 122.215 120.570 0.268 0.000 2.454 895 I HA -0.246 3.924 4.170 0.001 0.000 0.254 895 I C 1.993 178.389 176.117 0.465 0.000 1.156 895 I CA 1.206 62.690 61.300 0.308 0.000 1.433 895 I CB -0.132 38.097 38.000 0.381 0.000 1.082 895 I HN 0.054 nan 8.210 nan 0.000 0.432 896 Q N 0.083 120.096 119.800 0.355 0.000 1.941 896 Q HA -0.120 4.221 4.340 0.001 0.000 0.201 896 Q C 2.411 178.560 176.000 0.249 0.000 0.982 896 Q CA 2.088 58.054 55.803 0.272 0.000 0.839 896 Q CB -1.050 27.805 28.738 0.194 0.000 0.904 896 Q HN 0.416 nan 8.270 nan 0.000 0.427 897 S N 0.628 116.462 115.700 0.223 0.000 2.440 897 S HA -0.181 4.290 4.470 0.001 0.000 0.240 897 S C 1.321 176.082 174.600 0.268 0.000 1.014 897 S CA 1.098 59.434 58.200 0.228 0.000 0.980 897 S CB -0.397 62.907 63.200 0.174 0.000 0.775 897 S HN 0.451 nan 8.310 nan 0.000 0.499 898 W N 1.532 122.891 121.300 0.099 0.000 2.354 898 W HA -0.047 4.613 4.660 0.001 0.000 0.315 898 W C 1.822 178.352 176.519 0.018 0.000 1.206 898 W CA 0.835 58.220 57.345 0.066 0.000 1.290 898 W CB -0.509 28.996 29.460 0.075 0.000 1.152 898 W HN 0.238 nan 8.180 nan 0.000 0.489 899 I N -0.464 120.143 120.570 0.060 0.000 2.716 899 I HA -0.129 4.041 4.170 0.001 0.000 0.259 899 I C 2.212 178.153 176.117 -0.294 0.000 1.172 899 I CA 1.162 62.252 61.300 -0.350 0.000 1.478 899 I CB -0.901 36.746 38.000 -0.588 0.000 1.104 899 I HN 0.173 nan 8.210 nan 0.000 0.439 900 Y N 0.923 121.116 120.300 -0.178 0.000 2.163 900 Y HA -0.279 4.272 4.550 0.001 0.000 0.288 900 Y C 2.306 178.146 175.900 -0.100 0.000 1.136 900 Y CA 2.169 60.205 58.100 -0.107 0.000 1.147 900 Y CB -0.419 38.022 38.460 -0.032 0.000 0.987 900 Y HN 0.244 nan 8.280 nan 0.000 0.509 901 D N -0.249 120.146 120.400 -0.008 0.000 2.116 901 D HA -0.195 4.446 4.640 0.001 0.000 0.193 901 D C 2.156 178.297 176.300 -0.264 0.000 0.998 901 D CA 1.942 55.923 54.000 -0.031 0.000 0.836 901 D CB -0.321 40.571 40.800 0.154 0.000 0.951 901 D HN 0.272 nan 8.370 nan 0.000 0.449 902 V N -0.047 119.611 119.914 -0.428 0.000 2.594 902 V HA -0.215 3.906 4.120 0.001 0.000 0.253 902 V C 2.233 177.994 176.094 -0.556 0.000 1.069 902 V CA 1.831 63.737 62.300 -0.657 0.000 1.082 902 V CB -0.703 30.348 31.823 -1.288 0.000 0.680 902 V HN 0.322 nan 8.190 nan 0.000 0.469 903 H N 1.015 119.743 119.070 -0.570 0.000 2.256 903 H HA -0.123 4.434 4.556 0.001 0.000 0.301 903 H C 2.298 177.364 175.328 -0.436 0.000 1.062 903 H CA 2.384 58.159 56.048 -0.455 0.000 1.283 903 H CB -0.069 29.424 29.762 -0.448 0.000 1.379 903 H HN 0.286 nan 8.280 nan 0.000 0.493 904 K N -0.023 119.991 120.400 -0.642 0.000 1.985 904 K HA -0.071 4.250 4.320 0.001 0.000 0.210 904 K C 1.832 178.155 176.600 -0.461 0.000 1.047 904 K CA 2.243 58.202 56.287 -0.548 0.000 0.932 904 K CB -0.117 32.087 32.500 -0.494 0.000 0.716 904 K HN 0.465 nan 8.250 nan 0.000 0.439 905 N N -1.213 117.183 118.700 -0.506 0.000 2.402 905 N HA 0.078 4.818 4.740 0.001 0.000 0.174 905 N C 1.603 176.510 175.510 -1.004 0.000 1.027 905 N CA 0.497 53.134 53.050 -0.687 0.000 0.891 905 N CB 0.119 38.158 38.487 -0.746 0.000 1.016 905 N HN 0.283 nan 8.380 nan 0.000 0.439 906 G N 0.686 108.960 108.800 -0.877 0.000 2.616 906 G HA2 -0.154 3.806 3.960 0.001 0.000 0.215 906 G HA3 -0.154 3.806 3.960 0.001 0.000 0.215 906 G C -0.371 174.437 174.900 -0.155 0.000 1.284 906 G CA 0.213 44.857 45.100 -0.760 0.000 0.823 906 G HN 0.199 nan 8.290 nan 0.000 0.569 907 W N 2.648 123.790 121.300 -0.263 0.000 2.175 907 W HA 0.567 5.228 4.660 0.001 0.000 0.350 907 W C -0.048 176.330 176.519 -0.235 0.000 0.877 907 W CA -1.797 55.477 57.345 -0.117 0.000 1.544 907 W CB -0.565 28.867 29.460 -0.045 0.000 1.585 907 W HN 0.079 nan 8.180 nan 0.000 0.347 908 R N 0.827 121.285 120.500 -0.070 0.000 2.538 908 R HA 0.150 4.490 4.340 0.001 0.000 0.282 908 R C 0.055 176.193 176.300 -0.271 0.000 1.009 908 R CA -0.110 55.849 56.100 -0.234 0.000 1.063 908 R CB 0.544 30.651 30.300 -0.321 0.000 0.945 908 R HN -0.050 nan 8.270 nan 0.000 0.414 909 V N 4.986 124.761 119.914 -0.233 0.000 2.299 909 V HA 0.076 4.196 4.120 0.001 0.000 0.255 909 V C 0.360 176.313 176.094 -0.235 0.000 1.100 909 V CA -0.248 61.910 62.300 -0.237 0.000 0.938 909 V CB -0.144 31.586 31.823 -0.155 0.000 1.139 909 V HN 0.708 nan 8.190 nan 0.000 0.490 910 N N 5.187 123.719 118.700 -0.281 0.000 2.776 910 N HA 0.577 5.317 4.740 0.001 0.000 0.319 910 N C -2.518 173.070 175.510 0.131 0.000 1.316 910 N CA -1.257 51.776 53.050 -0.028 0.000 0.890 910 N CB 1.156 39.644 38.487 0.002 0.000 1.165 910 N HN 0.263 nan 8.380 nan 0.000 0.596 911 P HA 0.084 nan 4.420 nan 0.000 0.270 911 P C 0.611 177.968 177.300 0.094 0.000 1.223 911 P CA 0.408 63.553 63.100 0.076 0.000 0.785 911 P CB 0.326 32.047 31.700 0.035 0.000 0.923 912 G N -0.516 108.298 108.800 0.024 0.000 2.302 912 G HA2 -0.240 3.721 3.960 0.001 0.000 0.263 912 G HA3 -0.240 3.721 3.960 0.001 0.000 0.263 912 G C 0.580 175.427 174.900 -0.089 0.000 0.995 912 G CA 0.236 45.311 45.100 -0.042 0.000 0.622 912 G HN 0.737 nan 8.290 nan 0.000 0.538 913 H N 0.655 119.700 119.070 -0.043 0.000 2.597 913 H HA 0.469 5.026 4.556 0.001 0.000 0.370 913 H C 0.702 175.934 175.328 -0.161 0.000 1.281 913 H CA 0.415 56.410 56.048 -0.088 0.000 1.422 913 H CB 0.632 30.362 29.762 -0.055 0.000 1.524 913 H HN 0.451 nan 8.280 nan 0.000 0.607 914 Q N 0.081 119.803 119.800 -0.130 0.000 2.333 914 Q HA 0.146 4.487 4.340 0.001 0.000 0.266 914 Q C -0.741 175.021 176.000 -0.396 0.000 1.053 914 Q CA -0.925 54.758 55.803 -0.200 0.000 0.890 914 Q CB 1.604 30.236 28.738 -0.176 0.000 1.337 914 Q HN 0.546 nan 8.270 nan 0.000 0.474 915 D N -0.357 119.884 120.400 -0.265 0.000 2.399 915 D HA -0.015 4.625 4.640 0.001 0.000 0.241 915 D C 0.113 176.238 176.300 -0.290 0.000 1.133 915 D CA 0.542 54.398 54.000 -0.240 0.000 0.890 915 D CB 0.604 41.367 40.800 -0.062 0.000 1.201 915 D HN 0.447 nan 8.370 nan 0.000 0.432 916 H N 2.204 121.322 119.070 0.079 0.000 2.652 916 H HA 0.223 4.779 4.556 0.001 0.000 0.274 916 H C 1.242 176.719 175.328 0.248 0.000 1.021 916 H CA 0.523 56.661 56.048 0.149 0.000 1.187 916 H CB 0.657 30.544 29.762 0.209 0.000 1.505 916 H HN 0.652 nan 8.280 nan 0.000 0.530 917 G N 1.718 110.674 108.800 0.261 0.000 2.258 917 G HA2 -0.295 3.666 3.960 0.001 0.000 0.274 917 G HA3 -0.295 3.666 3.960 0.001 0.000 0.274 917 G C 0.279 175.301 174.900 0.203 0.000 1.021 917 G CA 0.546 45.766 45.100 0.200 0.000 0.798 917 G HN 0.234 nan 8.290 nan 0.000 0.507 918 V N 2.592 122.651 119.914 0.241 0.000 2.405 918 V HA 0.276 4.396 4.120 0.001 0.000 0.264 918 V C -1.103 174.903 176.094 -0.147 0.000 1.048 918 V CA -1.394 60.972 62.300 0.110 0.000 0.966 918 V CB 0.944 32.840 31.823 0.121 0.000 1.015 918 V HN 0.232 nan 8.190 nan 0.000 0.477 919 P HA -0.002 nan 4.420 nan 0.000 0.265 919 P C 0.442 177.460 177.300 -0.469 0.000 1.187 919 P CA 0.148 63.072 63.100 -0.292 0.000 0.766 919 P CB 0.835 32.406 31.700 -0.216 0.000 0.820 920 A N 2.206 124.736 122.820 -0.482 0.000 2.238 920 A HA 0.243 4.564 4.320 0.001 0.000 0.208 920 A C 0.667 178.211 177.584 -0.066 0.000 1.177 920 A CA 0.968 52.811 52.037 -0.323 0.000 0.804 920 A CB -0.562 18.311 19.000 -0.211 0.000 0.823 920 A HN 0.719 nan 8.150 nan 0.000 0.482 921 S N -2.236 113.360 115.700 -0.174 0.000 2.622 921 S HA 0.532 5.003 4.470 0.001 0.000 0.275 921 S C -1.001 173.516 174.600 -0.138 0.000 1.112 921 S CA -0.787 57.343 58.200 -0.118 0.000 0.837 921 S CB -0.071 63.137 63.200 0.013 0.000 1.082 921 S HN 0.173 nan 8.310 nan 0.000 0.456 922 F N 1.774 121.774 119.950 0.083 0.000 2.405 922 F HA 0.473 5.001 4.527 0.001 0.000 0.355 922 F C 1.451 177.271 175.800 0.032 0.000 1.121 922 F CA -0.535 57.498 58.000 0.057 0.000 1.112 922 F CB 1.371 40.407 39.000 0.059 0.000 1.126 922 F HN 0.679 nan 8.300 nan 0.000 0.481 923 E N 1.172 121.510 120.200 0.229 0.000 2.465 923 E HA 0.066 4.417 4.350 0.001 0.000 0.209 923 E C 0.385 177.031 176.600 0.075 0.000 0.951 923 E CA 0.188 56.660 56.400 0.121 0.000 0.997 923 E CB 0.941 30.692 29.700 0.085 0.000 1.025 923 E HN 0.441 nan 8.360 nan 0.000 0.500 924 S N -0.526 115.213 115.700 0.065 0.000 2.751 924 S HA 0.423 4.894 4.470 0.001 0.000 0.310 924 S C 0.718 175.268 174.600 -0.083 0.000 1.128 924 S CA -0.587 57.615 58.200 0.002 0.000 0.931 924 S CB 1.479 64.687 63.200 0.014 0.000 1.177 924 S HN -0.103 nan 8.310 nan 0.000 0.530 925 R N 0.204 120.640 120.500 -0.107 0.000 2.140 925 R HA 0.089 4.429 4.340 0.001 0.000 0.213 925 R C 1.304 177.501 176.300 -0.173 0.000 1.059 925 R CA 0.745 56.731 56.100 -0.191 0.000 1.000 925 R CB -0.130 30.086 30.300 -0.140 0.000 0.910 925 R HN 0.570 nan 8.270 nan 0.000 0.455 926 E N 1.141 121.287 120.200 -0.090 0.000 2.208 926 E HA -0.179 4.171 4.350 0.001 0.000 0.193 926 E C 1.740 178.320 176.600 -0.034 0.000 0.988 926 E CA 0.802 57.170 56.400 -0.053 0.000 0.828 926 E CB -0.228 29.469 29.700 -0.005 0.000 0.763 926 E HN 0.375 nan 8.360 nan 0.000 0.478 927 Q N 0.202 119.990 119.800 -0.020 0.000 2.061 927 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 927 Q C 2.127 178.059 176.000 -0.114 0.000 0.984 927 Q CA 1.210 57.050 55.803 0.061 0.000 0.846 927 Q CB -0.076 28.772 28.738 0.183 0.000 0.902 927 Q HN 0.250 nan 8.270 nan 0.000 0.421 928 L N 1.045 121.980 121.223 -0.481 0.000 1.988 928 L HA -0.170 4.170 4.340 0.001 0.000 0.207 928 L C 2.258 178.882 176.870 -0.410 0.000 1.071 928 L CA 2.007 56.322 54.840 -0.875 0.000 0.744 928 L CB -0.690 40.818 42.059 -0.918 0.000 0.893 928 L HN 0.123 nan 8.230 nan 0.000 0.433 929 K N -0.468 119.761 120.400 -0.286 0.000 2.066 929 K HA -0.361 3.959 4.320 0.001 0.000 0.221 929 K C 2.067 178.571 176.600 -0.161 0.000 1.056 929 K CA 2.556 58.722 56.287 -0.202 0.000 0.950 929 K CB -0.387 32.023 32.500 -0.149 0.000 0.726 929 K HN 0.550 nan 8.250 nan 0.000 0.456 930 E N -0.344 119.815 120.200 -0.069 0.000 2.002 930 E HA -0.225 4.125 4.350 0.001 0.000 0.205 930 E C 1.944 178.562 176.600 0.030 0.000 1.020 930 E CA 2.191 58.611 56.400 0.033 0.000 0.856 930 E CB -0.138 29.675 29.700 0.188 0.000 0.788 930 E HN 0.182 nan 8.360 nan 0.000 0.477 931 V N 1.258 121.248 119.914 0.126 0.000 2.277 931 V HA -0.355 3.766 4.120 0.001 0.000 0.255 931 V C 2.487 178.623 176.094 0.070 0.000 1.074 931 V CA 2.216 64.626 62.300 0.182 0.000 1.058 931 V CB -0.692 31.413 31.823 0.469 0.000 0.656 931 V HN 0.344 nan 8.190 nan 0.000 0.449 932 L N -0.638 120.599 121.223 0.024 0.000 2.017 932 L HA -0.174 4.166 4.340 0.001 0.000 0.208 932 L C 2.626 179.424 176.870 -0.120 0.000 1.073 932 L CA 2.113 56.937 54.840 -0.027 0.000 0.745 932 L CB -1.173 40.831 42.059 -0.092 0.000 0.894 932 L HN 0.352 nan 8.230 nan 0.000 0.432 933 T N -0.731 113.686 114.554 -0.229 0.000 2.684 933 T HA -0.188 4.163 4.350 0.001 0.000 0.267 933 T C 2.148 176.606 174.700 -0.404 0.000 1.036 933 T CA 1.686 63.511 62.100 -0.458 0.000 1.148 933 T CB -0.240 68.147 68.868 -0.802 0.000 0.863 933 T HN 0.300 nan 8.240 nan 0.000 0.436 934 S N 1.474 117.081 115.700 -0.155 0.000 2.359 934 S HA -0.101 4.370 4.470 0.001 0.000 0.222 934 S C 1.932 176.581 174.600 0.082 0.000 1.038 934 S CA 0.962 59.283 58.200 0.202 0.000 1.051 934 S CB -0.687 62.659 63.200 0.244 0.000 0.944 934 S HN 0.180 nan 8.310 nan 0.000 0.433 935 L N 1.663 122.802 121.223 -0.139 0.000 1.944 935 L HA -0.103 4.238 4.340 0.001 0.000 0.218 935 L C 2.426 179.198 176.870 -0.164 0.000 1.075 935 L CA 1.648 56.297 54.840 -0.317 0.000 0.767 935 L CB -0.974 40.899 42.059 -0.311 0.000 0.890 935 L HN 0.149 nan 8.230 nan 0.000 0.434 936 V N -0.679 119.209 119.914 -0.045 0.000 2.453 936 V HA -0.354 3.766 4.120 0.001 0.000 0.252 936 V C 2.222 178.339 176.094 0.038 0.000 1.068 936 V CA 2.184 64.444 62.300 -0.067 0.000 1.070 936 V CB -0.798 30.880 31.823 -0.242 0.000 0.664 936 V HN 0.524 nan 8.190 nan 0.000 0.461 937 F N 1.079 121.015 119.950 -0.022 0.000 2.128 937 F HA -0.154 4.373 4.527 0.001 0.000 0.295 937 F C 2.478 178.404 175.800 0.210 0.000 1.100 937 F CA 2.108 60.180 58.000 0.121 0.000 1.260 937 F CB -0.509 38.616 39.000 0.208 0.000 1.009 937 F HN 0.089 nan 8.300 nan 0.000 0.476 938 T N 1.006 115.766 114.554 0.343 0.000 2.759 938 T HA -0.217 4.133 4.350 0.001 0.000 0.269 938 T C 1.855 176.648 174.700 0.155 0.000 1.042 938 T CA 1.877 64.122 62.100 0.242 0.000 1.140 938 T CB -0.789 68.182 68.868 0.172 0.000 0.864 938 T HN 0.282 nan 8.240 nan 0.000 0.455 939 F N 1.712 121.720 119.950 0.096 0.000 2.031 939 F HA -0.200 4.327 4.527 0.001 0.000 0.295 939 F C 2.968 178.845 175.800 0.128 0.000 1.133 939 F CA 1.206 59.268 58.000 0.103 0.000 1.188 939 F CB -0.267 38.809 39.000 0.127 0.000 0.974 939 F HN 0.226 nan 8.300 nan 0.000 0.473 940 S N -0.416 115.477 115.700 0.322 0.000 2.331 940 S HA -0.188 4.283 4.470 0.001 0.000 0.208 940 S C 2.011 176.688 174.600 0.128 0.000 1.032 940 S CA 1.187 59.535 58.200 0.246 0.000 0.991 940 S CB -1.173 62.168 63.200 0.236 0.000 0.980 940 S HN 0.408 nan 8.310 nan 0.000 0.433 941 C N 1.398 120.616 119.300 -0.137 0.000 2.489 941 C HA 0.087 4.548 4.460 0.001 0.000 0.279 941 C C 3.008 177.901 174.990 -0.161 0.000 1.266 941 C CA 0.762 59.632 59.018 -0.247 0.000 1.707 941 C CB -1.456 25.890 27.740 -0.657 0.000 2.059 941 C HN 0.670 nan 8.230 nan 0.000 0.481 942 Q N 0.911 120.522 119.800 -0.314 0.000 1.956 942 Q HA -0.229 4.112 4.340 0.001 0.000 0.208 942 Q C 2.228 178.361 176.000 0.223 0.000 0.998 942 Q CA 2.129 57.983 55.803 0.085 0.000 0.855 942 Q CB -0.928 27.951 28.738 0.234 0.000 0.928 942 Q HN 0.775 nan 8.270 nan 0.000 0.418 943 H N -0.723 118.448 119.070 0.167 0.000 2.289 943 H HA -0.200 4.356 4.556 0.001 0.000 0.294 943 H C 1.647 177.139 175.328 0.273 0.000 1.095 943 H CA 1.989 58.158 56.048 0.201 0.000 1.256 943 H CB -0.189 29.673 29.762 0.167 0.000 1.359 943 H HN 0.403 nan 8.280 nan 0.000 0.487 944 A N 0.668 123.726 122.820 0.396 0.000 1.986 944 A HA -0.103 4.218 4.320 0.001 0.000 0.220 944 A C 2.364 180.199 177.584 0.418 0.000 1.171 944 A CA 1.930 54.258 52.037 0.485 0.000 0.640 944 A CB -0.696 18.495 19.000 0.318 0.000 0.811 944 A HN 0.572 nan 8.150 nan 0.000 0.451 945 A N -1.817 121.186 122.820 0.305 0.000 2.430 945 A HA 0.532 4.852 4.320 0.001 0.000 0.243 945 A C 1.093 178.812 177.584 0.226 0.000 1.254 945 A CA 0.652 52.889 52.037 0.334 0.000 0.914 945 A CB 0.370 19.653 19.000 0.471 0.000 0.998 945 A HN 0.435 nan 8.150 nan 0.000 0.515 946 V N -0.586 119.415 119.914 0.144 0.000 3.382 946 V HA 0.116 4.236 4.120 0.001 0.000 0.296 946 V C 1.381 177.446 176.094 -0.047 0.000 1.529 946 V CA 0.565 62.944 62.300 0.133 0.000 1.048 946 V CB 0.482 32.415 31.823 0.182 0.000 0.878 946 V HN 0.601 nan 8.190 nan 0.000 0.442 947 N N -0.047 118.490 118.700 -0.271 0.000 2.606 947 N HA 0.143 4.883 4.740 0.001 0.000 0.208 947 N C 1.234 176.421 175.510 -0.540 0.000 1.046 947 N CA 0.747 53.384 53.050 -0.689 0.000 0.891 947 N CB 0.303 38.027 38.487 -1.271 0.000 1.344 947 N HN 0.379 nan 8.380 nan 0.000 0.437 948 F N 1.509 121.406 119.950 -0.089 0.000 2.797 948 F HA 0.186 4.714 4.527 0.001 0.000 0.302 948 F C 1.758 177.684 175.800 0.209 0.000 1.130 948 F CA 0.115 58.121 58.000 0.011 0.000 1.387 948 F CB 0.059 39.080 39.000 0.035 0.000 1.107 948 F HN 0.014 nan 8.300 nan 0.000 0.577 949 S N -0.827 115.045 115.700 0.286 0.000 2.743 949 S HA 0.044 4.514 4.470 0.001 0.000 0.230 949 S C 1.113 175.747 174.600 0.056 0.000 0.950 949 S CA -0.131 58.159 58.200 0.151 0.000 0.976 949 S CB -0.372 62.710 63.200 -0.196 0.000 0.779 949 S HN 0.489 nan 8.310 nan 0.000 0.487 950 Q N 0.297 120.149 119.800 0.087 0.000 2.281 950 Q HA 0.246 4.587 4.340 0.001 0.000 0.215 950 Q C 0.196 176.245 176.000 0.082 0.000 0.867 950 Q CA 0.039 55.864 55.803 0.037 0.000 0.940 950 Q CB 0.464 29.191 28.738 -0.019 0.000 1.111 950 Q HN 0.531 nan 8.270 nan 0.000 0.513 960 A N 2.349 125.277 122.820 0.180 0.000 3.165 960 A HA 0.611 4.932 4.320 0.001 0.000 0.331 960 A C -2.616 175.041 177.584 0.122 0.000 1.034 960 A CA -0.947 51.188 52.037 0.163 0.000 0.906 960 A CB 0.306 19.380 19.000 0.123 0.000 1.054 960 A HN 0.181 nan 8.150 nan 0.000 0.484 961 P HA 0.408 nan 4.420 nan 0.000 0.272 961 P C 0.906 178.220 177.300 0.024 0.000 1.223 961 P CA 0.127 63.245 63.100 0.030 0.000 0.784 961 P CB 1.404 33.064 31.700 -0.066 0.000 0.923 962 A N 2.354 125.176 122.820 0.004 0.000 1.924 962 A HA 0.207 4.527 4.320 0.001 0.000 0.211 962 A C 0.765 178.348 177.584 -0.001 0.000 1.198 962 A CA 0.813 52.858 52.037 0.015 0.000 0.657 962 A CB -0.394 18.614 19.000 0.012 0.000 0.852 962 A HN 0.538 nan 8.150 nan 0.000 0.454 963 I N 0.514 121.064 120.570 -0.032 0.000 2.465 963 I HA 0.438 4.608 4.170 0.001 0.000 0.291 963 I C -1.126 174.934 176.117 -0.095 0.000 1.014 963 I CA -0.472 60.812 61.300 -0.027 0.000 1.093 963 I CB 1.861 39.858 38.000 -0.006 0.000 1.267 963 I HN -0.010 nan 8.210 nan 0.000 0.431 964 L N 5.488 126.659 121.223 -0.087 0.000 2.329 964 L HA 0.528 4.869 4.340 0.001 0.000 0.279 964 L C 1.100 177.949 176.870 -0.034 0.000 1.014 964 L CA -0.702 54.016 54.840 -0.203 0.000 0.814 964 L CB 2.319 44.058 42.059 -0.533 0.000 1.257 964 L HN 0.701 nan 8.230 nan 0.000 0.424 965 R N 0.389 120.821 120.500 -0.114 0.000 2.055 965 R HA 0.017 4.357 4.340 0.001 0.000 0.228 965 R C 0.567 176.811 176.300 -0.094 0.000 1.143 965 R CA 0.787 56.826 56.100 -0.102 0.000 0.945 965 R CB 0.053 30.205 30.300 -0.246 0.000 0.841 965 R HN 0.518 nan 8.270 nan 0.000 0.429 966 H N 0.032 119.030 119.070 -0.121 0.000 2.497 966 H HA 0.316 4.873 4.556 0.001 0.000 0.331 966 H C -1.979 173.023 175.328 -0.544 0.000 1.457 966 H CA -2.104 53.782 56.048 -0.270 0.000 1.459 966 H CB 0.725 30.404 29.762 -0.137 0.000 1.728 966 H HN 0.021 nan 8.280 nan 0.000 0.691 967 P HA 0.261 nan 4.420 nan 0.000 0.281 967 P C -2.650 174.661 177.300 0.018 0.000 1.281 967 P CA -1.778 61.095 63.100 -0.378 0.000 0.811 967 P CB 0.021 31.520 31.700 -0.335 0.000 1.154 968 P HA 0.269 nan 4.420 nan 0.000 0.271 968 P C -2.300 174.955 177.300 -0.075 0.000 1.218 968 P CA -0.955 61.948 63.100 -0.329 0.000 0.780 968 P CB -1.399 29.897 31.700 -0.674 0.000 0.901 969 P HA 0.199 nan 4.420 nan 0.000 0.276 969 P C 0.433 177.822 177.300 0.148 0.000 1.235 969 P CA -0.062 63.092 63.100 0.089 0.000 0.772 969 P CB 0.701 32.478 31.700 0.129 0.000 0.871 970 K N 1.294 121.751 120.400 0.094 0.000 2.365 970 K HA 0.053 4.373 4.320 0.001 0.000 0.197 970 K C 0.355 177.004 176.600 0.082 0.000 1.042 970 K CA 0.771 57.102 56.287 0.074 0.000 0.987 970 K CB 0.225 32.743 32.500 0.030 0.000 0.779 970 K HN 0.425 nan 8.250 nan 0.000 0.484 971 K N 0.928 121.401 120.400 0.121 0.000 2.259 971 K HA 0.187 4.508 4.320 0.001 0.000 0.252 971 K C -0.533 176.154 176.600 0.145 0.000 0.936 971 K CA -0.510 55.828 56.287 0.086 0.000 0.810 971 K CB 1.924 34.464 32.500 0.065 0.000 1.143 971 K HN -0.224 nan 8.250 nan 0.000 0.427 972 K N 1.527 121.915 120.400 -0.021 0.000 2.480 972 K HA 0.094 4.415 4.320 0.001 0.000 0.241 972 K C -0.371 176.277 176.600 0.081 0.000 1.261 972 K CA 0.052 56.270 56.287 -0.115 0.000 1.193 972 K CB -0.551 31.756 32.500 -0.322 0.000 1.598 972 K HN 0.909 nan 8.250 nan 0.000 0.278 973 G N 1.833 110.759 108.800 0.211 0.000 2.812 973 G HA2 -0.069 3.891 3.960 0.001 0.000 0.232 973 G HA3 -0.069 3.891 3.960 0.001 0.000 0.232 973 G C -0.146 174.836 174.900 0.136 0.000 2.283 973 G CA -0.550 44.651 45.100 0.168 0.000 0.929 973 G HN 0.448 nan 8.290 nan 0.000 0.471 974 E N 0.177 120.472 120.200 0.159 0.000 2.329 974 E HA 0.400 4.750 4.350 0.001 0.000 0.189 974 E C 1.658 178.301 176.600 0.071 0.000 0.997 974 E CA 0.380 56.838 56.400 0.096 0.000 1.062 974 E CB 0.159 29.909 29.700 0.084 0.000 1.260 974 E HN 0.753 nan 8.360 nan 0.000 0.490 975 A N 2.590 125.454 122.820 0.073 0.000 2.592 975 A HA 0.023 4.343 4.320 0.001 0.000 0.250 975 A C 0.767 178.341 177.584 -0.018 0.000 1.017 975 A CA 1.096 53.148 52.037 0.025 0.000 0.794 975 A CB -0.490 18.530 19.000 0.034 0.000 0.917 975 A HN 0.371 nan 8.150 nan 0.000 0.515 976 T N 0.526 115.015 114.554 -0.108 0.000 2.850 976 T HA 0.463 4.813 4.350 0.001 0.000 0.269 976 T C 1.141 175.633 174.700 -0.347 0.000 1.075 976 T CA 0.037 61.967 62.100 -0.282 0.000 0.987 976 T CB -0.052 68.709 68.868 -0.178 0.000 1.889 976 T HN 0.467 nan 8.240 nan 0.000 0.584 977 L N 0.749 121.775 121.223 -0.329 0.000 2.131 977 L HA 0.161 4.501 4.340 0.001 0.000 0.206 977 L C 2.948 179.760 176.870 -0.096 0.000 1.087 977 L CA 1.719 56.443 54.840 -0.194 0.000 0.767 977 L CB -1.155 40.831 42.059 -0.121 0.000 0.917 977 L HN 0.847 nan 8.230 nan 0.000 0.441 978 Q N -0.758 118.993 119.800 -0.081 0.000 2.061 978 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 978 Q C 2.181 178.155 176.000 -0.043 0.000 0.984 978 Q CA 2.535 58.309 55.803 -0.048 0.000 0.846 978 Q CB -0.134 28.582 28.738 -0.036 0.000 0.902 978 Q HN 0.734 nan 8.270 nan 0.000 0.421 979 S N 0.751 116.417 115.700 -0.055 0.000 2.398 979 S HA -0.259 4.212 4.470 0.001 0.000 0.220 979 S C 1.935 176.503 174.600 -0.054 0.000 1.038 979 S CA 1.586 59.759 58.200 -0.045 0.000 1.080 979 S CB -1.160 62.006 63.200 -0.056 0.000 1.039 979 S HN 0.499 nan 8.310 nan 0.000 0.419 980 I N 1.577 122.103 120.570 -0.072 0.000 2.103 980 I HA -0.280 3.891 4.170 0.001 0.000 0.241 980 I C 2.623 178.627 176.117 -0.189 0.000 1.036 980 I CA 1.707 62.933 61.300 -0.123 0.000 1.300 980 I CB -0.615 37.367 38.000 -0.031 0.000 1.010 980 I HN 0.236 nan 8.210 nan 0.000 0.406 981 L N 0.062 121.214 121.223 -0.120 0.000 1.961 981 L HA -0.202 4.139 4.340 0.001 0.000 0.210 981 L C 2.426 179.229 176.870 -0.112 0.000 1.072 981 L CA 1.878 56.648 54.840 -0.117 0.000 0.749 981 L CB -0.737 41.284 42.059 -0.064 0.000 0.889 981 L HN 0.095 nan 8.230 nan 0.000 0.432 982 S N -1.504 114.163 115.700 -0.055 0.000 2.653 982 S HA -0.076 4.394 4.470 0.001 0.000 0.233 982 S C 1.500 176.089 174.600 -0.018 0.000 0.970 982 S CA 1.043 59.230 58.200 -0.023 0.000 0.947 982 S CB -0.360 62.871 63.200 0.052 0.000 0.771 982 S HN 0.503 nan 8.310 nan 0.000 0.538 983 T N 1.037 115.545 114.554 -0.078 0.000 2.978 983 T HA 0.335 4.686 4.350 0.001 0.000 0.248 983 T C 0.589 175.112 174.700 -0.294 0.000 1.018 983 T CA -0.002 62.020 62.100 -0.131 0.000 1.026 983 T CB 0.233 69.027 68.868 -0.123 0.000 1.032 983 T HN 0.183 nan 8.240 nan 0.000 0.485 984 L N 1.582 122.598 121.223 -0.344 0.000 2.469 984 L HA 0.402 4.742 4.340 0.001 0.000 0.253 984 L C -2.362 174.356 176.870 -0.253 0.000 1.143 984 L CA -2.625 51.970 54.840 -0.408 0.000 0.804 984 L CB -0.037 41.699 42.059 -0.539 0.000 1.214 984 L HN -0.139 nan 8.230 nan 0.000 0.476 985 P HA -0.001 nan 4.420 nan 0.000 0.268 985 P C -0.493 176.745 177.300 -0.104 0.000 1.205 985 P CA -0.131 62.891 63.100 -0.130 0.000 0.771 985 P CB 0.741 32.381 31.700 -0.101 0.000 0.858 986 S N 2.479 118.133 115.700 -0.077 0.000 2.569 986 S HA -0.052 4.418 4.470 0.001 0.000 0.274 986 S C 1.508 176.081 174.600 -0.044 0.000 1.353 986 S CA -0.146 58.019 58.200 -0.057 0.000 1.023 986 S CB 0.050 63.224 63.200 -0.043 0.000 0.876 986 S HN 0.487 nan 8.310 nan 0.000 0.540 987 K N 1.464 121.843 120.400 -0.035 0.000 2.228 987 K HA -0.153 4.168 4.320 0.001 0.000 0.205 987 K C 2.057 178.644 176.600 -0.022 0.000 1.045 987 K CA 1.953 58.225 56.287 -0.025 0.000 0.931 987 K CB -0.416 32.072 32.500 -0.019 0.000 0.727 987 K HN 0.760 nan 8.250 nan 0.000 0.458 988 S N -0.514 115.173 115.700 -0.022 0.000 2.387 988 S HA -0.121 4.350 4.470 0.001 0.000 0.221 988 S C 2.021 176.609 174.600 -0.019 0.000 1.041 988 S CA 0.355 58.544 58.200 -0.019 0.000 0.959 988 S CB -0.289 62.901 63.200 -0.016 0.000 0.843 988 S HN 0.366 nan 8.310 nan 0.000 0.488 989 Q N 1.268 121.055 119.800 -0.022 0.000 2.217 989 Q HA -0.163 4.178 4.340 0.001 0.000 0.209 989 Q C 2.191 178.176 176.000 -0.025 0.000 0.988 989 Q CA 1.706 57.495 55.803 -0.023 0.000 0.878 989 Q CB -0.540 28.179 28.738 -0.031 0.000 0.909 989 Q HN 0.771 nan 8.270 nan 0.000 0.424 990 A N 0.297 123.101 122.820 -0.027 0.000 1.840 990 A HA -0.043 4.278 4.320 0.001 0.000 0.214 990 A C 2.274 179.853 177.584 -0.008 0.000 1.198 990 A CA 1.400 53.426 52.037 -0.018 0.000 0.608 990 A CB -1.143 17.846 19.000 -0.019 0.000 0.839 990 A HN 0.504 nan 8.150 nan 0.000 0.443 991 A N -0.063 122.750 122.820 -0.011 0.000 1.927 991 A HA -0.259 4.061 4.320 0.001 0.000 0.220 991 A C 2.089 179.668 177.584 -0.008 0.000 1.185 991 A CA 2.178 54.208 52.037 -0.011 0.000 0.639 991 A CB -0.589 18.400 19.000 -0.018 0.000 0.820 991 A HN 0.563 nan 8.150 nan 0.000 0.451 992 K N -0.651 119.743 120.400 -0.010 0.000 2.074 992 K HA -0.161 4.159 4.320 0.001 0.000 0.209 992 K C 2.273 178.872 176.600 -0.001 0.000 1.048 992 K CA 1.326 57.607 56.287 -0.009 0.000 0.926 992 K CB -0.323 32.168 32.500 -0.015 0.000 0.713 992 K HN 0.504 nan 8.250 nan 0.000 0.444 993 A N 1.174 123.995 122.820 0.001 0.000 1.897 993 A HA -0.090 4.230 4.320 0.001 0.000 0.215 993 A C 2.068 179.669 177.584 0.028 0.000 1.181 993 A CA 0.977 53.021 52.037 0.012 0.000 0.620 993 A CB -0.449 18.557 19.000 0.011 0.000 0.821 993 A HN 0.160 nan 8.150 nan 0.000 0.443 994 I N -0.041 120.546 120.570 0.028 0.000 2.151 994 I HA -0.356 3.815 4.170 0.001 0.000 0.243 994 I C 3.024 179.180 176.117 0.066 0.000 1.080 994 I CA 1.186 62.511 61.300 0.042 0.000 1.339 994 I CB -0.468 37.544 38.000 0.020 0.000 1.039 994 I HN 0.395 nan 8.210 nan 0.000 0.409 995 A N 0.589 123.436 122.820 0.046 0.000 1.873 995 A HA -0.273 4.048 4.320 0.001 0.000 0.218 995 A C 2.374 180.025 177.584 0.111 0.000 1.193 995 A CA 2.826 54.906 52.037 0.070 0.000 0.629 995 A CB -1.288 17.730 19.000 0.030 0.000 0.826 995 A HN 0.418 nan 8.150 nan 0.000 0.447 996 T N -0.156 114.438 114.554 0.066 0.000 2.607 996 T HA -0.177 4.173 4.350 0.001 0.000 0.267 996 T C 1.864 176.597 174.700 0.055 0.000 1.049 996 T CA 1.899 64.032 62.100 0.054 0.000 1.162 996 T CB -0.706 68.177 68.868 0.025 0.000 0.863 996 T HN 0.174 nan 8.240 nan 0.000 0.424 997 V N 0.381 120.328 119.914 0.055 0.000 2.469 997 V HA -0.190 3.930 4.120 0.001 0.000 0.251 997 V C 2.021 178.149 176.094 0.056 0.000 1.064 997 V CA 1.700 64.022 62.300 0.036 0.000 1.066 997 V CB -0.782 31.072 31.823 0.052 0.000 0.667 997 V HN 0.537 nan 8.190 nan 0.000 0.461 998 Y N 0.074 120.372 120.300 -0.004 0.000 2.314 998 Y HA -0.087 4.463 4.550 0.001 0.000 0.293 998 Y C 2.144 178.051 175.900 0.012 0.000 1.129 998 Y CA 1.407 59.512 58.100 0.008 0.000 1.201 998 Y CB -0.016 38.453 38.460 0.014 0.000 0.999 998 Y HN 0.195 nan 8.280 nan 0.000 0.541 999 I N -0.561 120.016 120.570 0.012 0.000 2.406 999 I HA -0.241 3.929 4.170 0.001 0.000 0.249 999 I C 1.914 178.007 176.117 -0.041 0.000 1.122 999 I CA 0.826 62.121 61.300 -0.008 0.000 1.431 999 I CB -0.233 37.840 38.000 0.122 0.000 1.087 999 I HN 0.167 nan 8.210 nan 0.000 0.424 1000 L N 0.265 121.449 121.223 -0.065 0.000 2.275 1000 L HA -0.104 4.237 4.340 0.001 0.000 0.215 1000 L C 1.702 178.369 176.870 -0.339 0.000 1.119 1000 L CA 1.298 56.053 54.840 -0.142 0.000 0.790 1000 L CB -0.762 41.203 42.059 -0.157 0.000 0.919 1000 L HN 0.391 nan 8.230 nan 0.000 0.443 1001 T N -4.123 110.238 114.554 -0.321 0.000 3.293 1001 T HA 0.199 4.549 4.350 0.001 0.000 0.276 1001 T C 0.091 174.625 174.700 -0.276 0.000 1.003 1001 T CA -0.552 61.326 62.100 -0.371 0.000 0.916 1001 T CB 0.150 68.900 68.868 -0.197 0.000 1.134 1001 T HN -0.164 nan 8.240 nan 0.000 0.530 1002 K N 1.762 121.994 120.400 -0.282 0.000 2.334 1002 K HA 0.553 4.873 4.320 0.001 0.000 0.265 1002 K C -0.909 175.650 176.600 -0.068 0.000 1.039 1002 K CA -1.441 54.720 56.287 -0.210 0.000 0.920 1002 K CB -0.265 32.038 32.500 -0.329 0.000 1.160 1002 K HN 0.192 nan 8.250 nan 0.000 0.451 1003 F N 1.391 121.412 119.950 0.118 0.000 2.490 1003 F HA 0.198 4.726 4.527 0.001 0.000 0.336 1003 F C 1.366 177.181 175.800 0.024 0.000 1.178 1003 F CA -0.132 57.931 58.000 0.105 0.000 1.301 1003 F CB 0.454 39.529 39.000 0.124 0.000 1.175 1003 F HN 0.522 nan 8.300 nan 0.000 0.593 1004 S N -0.252 115.553 115.700 0.174 0.000 2.713 1004 S HA 0.294 4.764 4.470 0.001 0.000 0.283 1004 S C 0.863 175.493 174.600 0.049 0.000 1.161 1004 S CA -0.708 57.528 58.200 0.061 0.000 0.999 1004 S CB 1.518 64.702 63.200 -0.026 0.000 1.039 1004 S HN 0.749 nan 8.310 nan 0.000 0.548 1005 E N 0.770 120.981 120.200 0.018 0.000 2.077 1005 E HA -0.208 4.143 4.350 0.001 0.000 0.193 1005 E C 1.052 177.629 176.600 -0.040 0.000 0.989 1005 E CA 1.595 57.995 56.400 0.000 0.000 0.800 1005 E CB -0.142 29.562 29.700 0.005 0.000 0.746 1005 E HN 0.840 nan 8.360 nan 0.000 0.452 1006 D N 0.404 120.772 120.400 -0.052 0.000 2.325 1006 D HA -0.089 4.551 4.640 0.001 0.000 0.234 1006 D C -0.165 176.040 176.300 -0.158 0.000 1.122 1006 D CA 0.003 53.952 54.000 -0.086 0.000 0.850 1006 D CB -0.146 40.621 40.800 -0.055 0.000 0.921 1006 D HN 0.001 nan 8.370 nan 0.000 0.513 1007 E N 1.406 121.485 120.200 -0.200 0.000 2.415 1007 E HA 0.023 4.373 4.350 0.001 0.000 0.260 1007 E C -0.408 175.813 176.600 -0.633 0.000 1.016 1007 E CA 0.040 56.233 56.400 -0.347 0.000 0.924 1007 E CB 0.364 29.883 29.700 -0.301 0.000 0.961 1007 E HN 0.066 nan 8.360 nan 0.000 0.459 1008 R N 4.731 124.941 120.500 -0.484 0.000 2.204 1008 R HA 0.177 4.518 4.340 0.001 0.000 0.341 1008 R C -0.562 175.483 176.300 -0.425 0.000 1.035 1008 R CA -0.414 55.421 56.100 -0.442 0.000 0.887 1008 R CB 0.479 30.605 30.300 -0.289 0.000 1.114 1008 R HN 0.580 nan 8.270 nan 0.000 0.473 1009 Y N 1.552 121.766 120.300 -0.143 0.000 2.299 1009 Y HA 0.044 4.594 4.550 0.001 0.000 0.335 1009 Y C 0.888 176.689 175.900 -0.165 0.000 1.287 1009 Y CA -0.812 57.205 58.100 -0.138 0.000 1.424 1009 Y CB 0.467 38.819 38.460 -0.180 0.000 1.326 1009 Y HN 0.381 nan 8.280 nan 0.000 0.567 1010 L N 1.896 123.177 121.223 0.096 0.000 2.543 1010 L HA 0.197 4.537 4.340 0.001 0.000 0.285 1010 L C 1.038 177.873 176.870 -0.058 0.000 1.236 1010 L CA 1.877 56.737 54.840 0.034 0.000 0.871 1010 L CB -0.194 41.949 42.059 0.139 0.000 1.121 1010 L HN 0.950 nan 8.230 nan 0.000 0.501 1011 G N 2.907 111.513 108.800 -0.323 0.000 2.729 1011 G HA2 -0.337 3.623 3.960 0.001 0.000 0.216 1011 G HA3 -0.337 3.623 3.960 0.001 0.000 0.216 1011 G C 0.609 175.103 174.900 -0.677 0.000 1.252 1011 G CA 0.142 44.948 45.100 -0.491 0.000 0.751 1011 G HN 0.891 nan 8.290 nan 0.000 0.527 1012 N N 1.351 119.795 118.700 -0.427 0.000 2.257 1012 N HA 0.007 4.748 4.740 0.001 0.000 0.289 1012 N C -0.139 175.168 175.510 -0.339 0.000 1.348 1012 N CA 0.587 53.445 53.050 -0.321 0.000 1.054 1012 N CB -0.455 37.878 38.487 -0.256 0.000 1.478 1012 N HN 0.462 nan 8.380 nan 0.000 0.486 1013 Y N -0.182 120.107 120.300 -0.018 0.000 2.658 1013 Y HA 0.082 4.633 4.550 0.001 0.000 0.276 1013 Y C 2.009 177.918 175.900 0.014 0.000 1.167 1013 Y CA -0.413 57.698 58.100 0.018 0.000 1.230 1013 Y CB -0.296 38.234 38.460 0.116 0.000 1.144 1013 Y HN 0.441 nan 8.280 nan 0.000 0.529 1014 S N -0.414 115.341 115.700 0.092 0.000 2.419 1014 S HA -0.088 4.382 4.470 0.001 0.000 0.233 1014 S C 1.570 176.206 174.600 0.061 0.000 1.016 1014 S CA 0.817 59.061 58.200 0.074 0.000 0.974 1014 S CB -0.148 63.075 63.200 0.038 0.000 0.786 1014 S HN 0.288 nan 8.310 nan 0.000 0.492 1015 A N 1.545 124.360 122.820 -0.008 0.000 3.159 1015 A HA 0.568 4.889 4.320 0.001 0.000 0.301 1015 A C 0.303 177.507 177.584 -0.633 0.000 1.271 1015 A CA -0.603 51.358 52.037 -0.127 0.000 0.998 1015 A CB -0.349 18.669 19.000 0.030 0.000 1.101 1015 A HN 0.437 nan 8.150 nan 0.000 0.610 1016 T N -1.335 112.907 114.554 -0.520 0.000 2.942 1016 T HA 0.574 4.924 4.350 0.001 0.000 0.289 1016 T C 0.724 175.062 174.700 -0.604 0.000 1.044 1016 T CA 0.052 61.796 62.100 -0.594 0.000 1.023 1016 T CB 1.909 70.690 68.868 -0.145 0.000 1.123 1016 T HN 0.445 nan 8.240 nan 0.000 0.512 1017 A N 0.188 122.666 122.820 -0.570 0.000 2.476 1017 A HA 0.275 4.596 4.320 0.001 0.000 0.263 1017 A C -0.250 177.205 177.584 -0.214 0.000 1.342 1017 A CA -0.767 51.118 52.037 -0.253 0.000 0.926 1017 A CB -0.824 18.073 19.000 -0.171 0.000 1.019 1017 A HN 0.800 nan 8.150 nan 0.000 0.515 1018 W N 0.687 121.960 121.300 -0.045 0.000 2.446 1018 W HA 0.280 4.941 4.660 0.001 0.000 0.316 1018 W C 0.783 177.296 176.519 -0.009 0.000 1.376 1018 W CA -0.540 56.795 57.345 -0.016 0.000 1.300 1018 W CB 0.709 30.162 29.460 -0.012 0.000 1.351 1018 W HN 0.361 nan 8.180 nan 0.000 0.530 1019 E N 1.065 121.403 120.200 0.231 0.000 2.399 1019 E HA -0.044 4.306 4.350 0.001 0.000 0.205 1019 E C -0.118 176.529 176.600 0.079 0.000 0.906 1019 E CA 0.215 56.675 56.400 0.100 0.000 0.998 1019 E CB 0.083 29.797 29.700 0.024 0.000 1.002 1019 E HN 0.374 nan 8.360 nan 0.000 0.501 1020 D N 2.615 123.108 120.400 0.156 0.000 2.358 1020 D HA -0.019 4.622 4.640 0.001 0.000 0.258 1020 D C 1.144 177.451 176.300 0.012 0.000 1.223 1020 D CA 0.213 54.275 54.000 0.104 0.000 0.886 1020 D CB 1.093 42.043 40.800 0.249 0.000 1.120 1020 D HN -0.056 nan 8.370 nan 0.000 0.482 1021 K N 3.326 123.686 120.400 -0.065 0.000 2.044 1021 K HA -0.272 4.049 4.320 0.001 0.000 0.224 1021 K C 0.909 177.419 176.600 -0.151 0.000 1.056 1021 K CA 2.088 58.295 56.287 -0.134 0.000 0.962 1021 K CB 0.138 32.534 32.500 -0.173 0.000 0.730 1021 K HN 0.479 nan 8.250 nan 0.000 0.453 1022 D N -0.216 120.084 120.400 -0.166 0.000 2.123 1022 D HA -0.173 4.468 4.640 0.001 0.000 0.196 1022 D C 1.873 178.016 176.300 -0.262 0.000 0.992 1022 D CA 1.388 55.260 54.000 -0.212 0.000 0.833 1022 D CB -0.278 40.377 40.800 -0.241 0.000 0.954 1022 D HN 0.459 nan 8.370 nan 0.000 0.455 1023 A N 1.977 124.614 122.820 -0.306 0.000 1.845 1023 A HA -0.148 4.172 4.320 0.001 0.000 0.215 1023 A C 2.272 179.642 177.584 -0.357 0.000 1.195 1023 A CA 0.771 52.530 52.037 -0.463 0.000 0.616 1023 A CB -0.934 17.735 19.000 -0.550 0.000 0.832 1023 A HN 0.173 nan 8.150 nan 0.000 0.443 1024 L N -0.057 121.033 121.223 -0.222 0.000 2.103 1024 L HA -0.266 4.074 4.340 0.001 0.000 0.215 1024 L C 1.890 178.707 176.870 -0.089 0.000 1.080 1024 L CA 2.523 57.293 54.840 -0.115 0.000 0.764 1024 L CB -1.124 40.905 42.059 -0.050 0.000 0.890 1024 L HN 0.433 nan 8.230 nan 0.000 0.435 1025 D N -0.725 119.605 120.400 -0.117 0.000 2.144 1025 D HA -0.096 4.544 4.640 0.001 0.000 0.200 1025 D C 2.160 178.440 176.300 -0.032 0.000 0.978 1025 D CA 1.283 55.234 54.000 -0.081 0.000 0.833 1025 D CB 0.206 40.938 40.800 -0.113 0.000 0.961 1025 D HN 0.367 nan 8.370 nan 0.000 0.470 1026 A N 1.074 123.861 122.820 -0.056 0.000 1.877 1026 A HA -0.147 4.173 4.320 0.001 0.000 0.216 1026 A C 2.375 180.121 177.584 0.271 0.000 1.186 1026 A CA 0.886 52.957 52.037 0.056 0.000 0.620 1026 A CB -0.803 18.139 19.000 -0.095 0.000 0.822 1026 A HN 0.200 nan 8.150 nan 0.000 0.443 1027 I N 0.084 120.814 120.570 0.267 0.000 2.236 1027 I HA -0.353 3.817 4.170 0.001 0.000 0.249 1027 I C 2.429 178.626 176.117 0.133 0.000 1.102 1027 I CA 1.899 63.335 61.300 0.227 0.000 1.365 1027 I CB -0.613 37.466 38.000 0.132 0.000 1.051 1027 I HN 0.538 nan 8.210 nan 0.000 0.420 1028 N N 1.260 120.015 118.700 0.093 0.000 2.025 1028 N HA -0.217 4.523 4.740 0.001 0.000 0.194 1028 N C 2.014 177.557 175.510 0.055 0.000 1.044 1028 N CA 1.707 54.793 53.050 0.061 0.000 0.851 1028 N CB -0.029 38.486 38.487 0.046 0.000 1.036 1028 N HN 0.164 nan 8.380 nan 0.000 0.422 1029 R N -0.297 120.254 120.500 0.085 0.000 2.073 1029 R HA -0.143 4.197 4.340 0.001 0.000 0.234 1029 R C 2.141 178.503 176.300 0.104 0.000 1.134 1029 R CA 1.059 57.208 56.100 0.081 0.000 0.952 1029 R CB -1.478 28.874 30.300 0.088 0.000 0.850 1029 R HN 0.354 nan 8.270 nan 0.000 0.433 1030 F N 2.865 122.793 119.950 -0.035 0.000 2.091 1030 F HA -0.265 4.262 4.527 0.001 0.000 0.299 1030 F C 2.420 178.076 175.800 -0.239 0.000 1.103 1030 F CA 1.707 59.624 58.000 -0.139 0.000 1.228 1030 F CB -0.729 38.070 39.000 -0.334 0.000 0.984 1030 F HN -0.025 nan 8.300 nan 0.000 0.477 1031 Q N 0.620 120.206 119.800 -0.355 0.000 1.998 1031 Q HA -0.244 4.096 4.340 0.001 0.000 0.209 1031 Q C 2.208 177.916 176.000 -0.486 0.000 1.002 1031 Q CA 2.477 57.997 55.803 -0.472 0.000 0.858 1031 Q CB -0.757 27.926 28.738 -0.093 0.000 0.932 1031 Q HN 0.390 nan 8.270 nan 0.000 0.416 1032 D N -0.577 119.706 120.400 -0.195 0.000 2.149 1032 D HA -0.202 4.438 4.640 0.001 0.000 0.194 1032 D C 1.762 177.965 176.300 -0.161 0.000 1.001 1032 D CA 1.431 55.357 54.000 -0.125 0.000 0.849 1032 D CB -0.038 40.745 40.800 -0.028 0.000 0.939 1032 D HN 0.035 nan 8.370 nan 0.000 0.449 1033 K N 0.744 121.062 120.400 -0.136 0.000 1.973 1033 K HA -0.049 4.271 4.320 0.001 0.000 0.212 1033 K C 2.354 178.836 176.600 -0.196 0.000 1.047 1033 K CA 0.802 57.038 56.287 -0.084 0.000 0.937 1033 K CB -0.800 31.724 32.500 0.040 0.000 0.721 1033 K HN 0.090 nan 8.250 nan 0.000 0.440 1034 L N 0.873 121.867 121.223 -0.382 0.000 2.151 1034 L HA -0.279 4.062 4.340 0.001 0.000 0.215 1034 L C 2.463 179.013 176.870 -0.533 0.000 1.084 1034 L CA 1.763 56.270 54.840 -0.554 0.000 0.764 1034 L CB -0.617 40.790 42.059 -1.086 0.000 0.891 1034 L HN 0.356 nan 8.230 nan 0.000 0.435 1035 E N 0.587 120.442 120.200 -0.576 0.000 2.051 1035 E HA -0.251 4.100 4.350 0.001 0.000 0.192 1035 E C 1.693 178.249 176.600 -0.074 0.000 0.991 1035 E CA 1.869 58.138 56.400 -0.219 0.000 0.799 1035 E CB -0.146 29.490 29.700 -0.108 0.000 0.748 1035 E HN 0.430 nan 8.360 nan 0.000 0.449 1036 D N -0.472 119.881 120.400 -0.078 0.000 2.078 1036 D HA -0.130 4.510 4.640 0.001 0.000 0.193 1036 D C 2.009 178.303 176.300 -0.010 0.000 0.990 1036 D CA 1.913 55.898 54.000 -0.024 0.000 0.827 1036 D CB -0.237 40.555 40.800 -0.013 0.000 0.975 1036 D HN 0.276 nan 8.370 nan 0.000 0.451 1037 I N 0.076 120.635 120.570 -0.019 0.000 2.143 1037 I HA -0.372 3.799 4.170 0.001 0.000 0.245 1037 I C 2.501 178.633 176.117 0.025 0.000 1.068 1037 I CA 1.271 62.577 61.300 0.010 0.000 1.326 1037 I CB -0.482 37.527 38.000 0.014 0.000 1.028 1037 I HN 0.082 nan 8.210 nan 0.000 0.412 1038 S N 0.413 116.125 115.700 0.020 0.000 2.365 1038 S HA -0.258 4.212 4.470 0.001 0.000 0.221 1038 S C 2.058 176.682 174.600 0.040 0.000 1.037 1038 S CA 1.734 59.966 58.200 0.054 0.000 1.060 1038 S CB -0.131 63.130 63.200 0.103 0.000 0.974 1038 S HN 0.315 nan 8.310 nan 0.000 0.427 1039 K N 0.433 120.852 120.400 0.031 0.000 2.032 1039 K HA -0.095 4.225 4.320 0.001 0.000 0.209 1039 K C 2.345 178.960 176.600 0.024 0.000 1.048 1039 K CA 1.224 57.526 56.287 0.025 0.000 0.927 1039 K CB -0.145 32.368 32.500 0.021 0.000 0.712 1039 K HN 0.180 nan 8.250 nan 0.000 0.441 1040 K N 0.897 121.313 120.400 0.026 0.000 2.032 1040 K HA -0.138 4.182 4.320 0.001 0.000 0.209 1040 K C 2.124 178.742 176.600 0.031 0.000 1.048 1040 K CA 1.328 57.633 56.287 0.029 0.000 0.927 1040 K CB -0.449 32.071 32.500 0.033 0.000 0.712 1040 K HN 0.223 nan 8.250 nan 0.000 0.441 1041 I N 1.222 121.814 120.570 0.038 0.000 2.142 1041 I HA -0.296 3.875 4.170 0.001 0.000 0.240 1041 I C 2.224 178.358 176.117 0.028 0.000 1.078 1041 I CA 1.391 62.716 61.300 0.042 0.000 1.343 1041 I CB -0.254 37.789 38.000 0.071 0.000 1.046 1041 I HN 0.149 nan 8.210 nan 0.000 0.405 1042 K N 0.317 120.733 120.400 0.027 0.000 2.218 1042 K HA -0.245 4.076 4.320 0.001 0.000 0.205 1042 K C 2.104 178.711 176.600 0.011 0.000 1.046 1042 K CA 1.298 57.595 56.287 0.016 0.000 0.933 1042 K CB -0.190 32.316 32.500 0.011 0.000 0.728 1042 K HN 0.459 nan 8.250 nan 0.000 0.454 1043 Q N -0.019 119.790 119.800 0.014 0.000 2.187 1043 Q HA -0.058 4.283 4.340 0.001 0.000 0.199 1043 Q C 2.201 178.206 176.000 0.008 0.000 0.957 1043 Q CA 0.622 56.433 55.803 0.013 0.000 0.857 1043 Q CB 0.152 28.901 28.738 0.018 0.000 0.929 1043 Q HN 0.152 nan 8.270 nan 0.000 0.453 1044 R N 0.790 121.290 120.500 -0.001 0.000 2.119 1044 R HA -0.032 4.309 4.340 0.001 0.000 0.222 1044 R C 0.971 177.235 176.300 -0.059 0.000 1.088 1044 R CA 0.820 56.905 56.100 -0.026 0.000 0.984 1044 R CB 0.029 30.305 30.300 -0.041 0.000 0.884 1044 R HN 0.261 nan 8.270 nan 0.000 0.447 1045 N N 1.207 119.881 118.700 -0.042 0.000 2.515 1045 N HA -0.065 4.675 4.740 0.001 0.000 0.185 1045 N C 1.101 176.609 175.510 -0.002 0.000 1.109 1045 N CA 0.393 53.424 53.050 -0.032 0.000 0.903 1045 N CB 0.188 38.678 38.487 0.004 0.000 0.969 1045 N HN 0.417 nan 8.380 nan 0.000 0.450 1046 E N 0.665 120.866 120.200 0.003 0.000 2.110 1046 E HA -0.051 4.299 4.350 0.001 0.000 0.193 1046 E C 0.928 177.542 176.600 0.022 0.000 0.988 1046 E CA 0.709 57.117 56.400 0.013 0.000 0.804 1046 E CB 0.077 29.786 29.700 0.014 0.000 0.745 1046 E HN 0.358 nan 8.360 nan 0.000 0.458 1047 N N 0.247 118.960 118.700 0.023 0.000 2.424 1047 N HA 0.028 4.768 4.740 0.001 0.000 0.178 1047 N C 0.507 176.052 175.510 0.057 0.000 1.060 1047 N CA 0.344 53.417 53.050 0.040 0.000 0.901 1047 N CB 0.423 38.936 38.487 0.043 0.000 0.979 1047 N HN 0.090 nan 8.380 nan 0.000 0.451 1048 L N 0.801 122.053 121.223 0.048 0.000 2.421 1048 L HA 0.186 4.527 4.340 0.001 0.000 0.263 1048 L C 1.755 178.682 176.870 0.094 0.000 1.122 1048 L CA -0.224 54.666 54.840 0.083 0.000 0.804 1048 L CB 1.221 43.317 42.059 0.061 0.000 1.150 1048 L HN -0.009 nan 8.230 nan 0.000 0.457 1049 E N 0.745 121.027 120.200 0.136 0.000 2.250 1049 E HA 0.027 4.378 4.350 0.001 0.000 0.192 1049 E C -0.406 176.224 176.600 0.050 0.000 0.986 1049 E CA 0.446 56.912 56.400 0.111 0.000 0.849 1049 E CB 0.649 30.458 29.700 0.183 0.000 0.797 1049 E HN 0.434 nan 8.360 nan 0.000 0.482 1050 V N 3.914 123.872 119.914 0.074 0.000 2.383 1050 V HA 0.265 4.385 4.120 0.001 0.000 0.264 1050 V C -2.368 173.880 176.094 0.256 0.000 1.001 1050 V CA -1.483 60.867 62.300 0.083 0.000 0.828 1050 V CB 0.686 32.475 31.823 -0.055 0.000 1.069 1050 V HN 0.091 nan 8.190 nan 0.000 0.451 1051 P HA -0.007 nan 4.420 nan 0.000 0.268 1051 P C -0.899 176.613 177.300 0.353 0.000 1.208 1051 P CA 0.057 63.279 63.100 0.204 0.000 0.777 1051 P CB 0.937 32.701 31.700 0.107 0.000 0.875 1052 Y N 2.676 123.112 120.300 0.226 0.000 2.518 1052 Y HA 0.203 4.754 4.550 0.001 0.000 0.344 1052 Y C 1.519 177.588 175.900 0.280 0.000 0.982 1052 Y CA -0.122 58.177 58.100 0.332 0.000 1.234 1052 Y CB -0.115 38.525 38.460 0.300 0.000 1.114 1052 Y HN 0.195 nan 8.280 nan 0.000 0.515 1053 I N 1.007 121.738 120.570 0.269 0.000 3.081 1053 I HA -0.055 4.115 4.170 0.001 0.000 0.274 1053 I C 0.739 176.906 176.117 0.083 0.000 1.178 1053 I CA 0.143 61.489 61.300 0.076 0.000 1.460 1053 I CB -0.391 37.521 38.000 -0.146 0.000 1.137 1053 I HN 0.369 nan 8.210 nan 0.000 0.443 1054 Y N 2.054 122.241 120.300 -0.188 0.000 2.738 1054 Y HA 0.008 4.558 4.550 0.001 0.000 0.293 1054 Y C 1.888 177.845 175.900 0.095 0.000 1.156 1054 Y CA 0.614 58.658 58.100 -0.094 0.000 1.410 1054 Y CB -0.965 37.361 38.460 -0.224 0.000 0.966 1054 Y HN 0.261 nan 8.280 nan 0.000 0.568 1055 L N -0.686 120.765 121.223 0.381 0.000 2.858 1055 L HA 0.216 4.556 4.340 0.001 0.000 0.251 1055 L C 0.092 177.082 176.870 0.200 0.000 1.149 1055 L CA -0.160 54.877 54.840 0.328 0.000 0.955 1055 L CB 0.267 42.570 42.059 0.407 0.000 1.289 1055 L HN 0.033 nan 8.230 nan 0.000 0.542 1056 L N 1.889 123.198 121.223 0.143 0.000 2.540 1056 L HA -0.007 4.334 4.340 0.001 0.000 0.276 1056 L C -1.190 175.715 176.870 0.059 0.000 1.212 1056 L CA -1.010 53.876 54.840 0.077 0.000 0.893 1056 L CB 0.195 42.258 42.059 0.007 0.000 1.138 1056 L HN -0.126 nan 8.230 nan 0.000 0.491 1057 P HA -0.151 nan 4.420 nan 0.000 0.231 1057 P C 0.602 177.963 177.300 0.102 0.000 1.158 1057 P CA 0.833 64.041 63.100 0.181 0.000 0.763 1057 P CB 0.053 31.935 31.700 0.303 0.000 0.805 1058 E N -0.529 119.631 120.200 -0.067 0.000 2.465 1058 E HA 0.073 4.423 4.350 0.001 0.000 0.195 1058 E C 0.722 176.946 176.600 -0.625 0.000 1.028 1058 E CA 0.001 56.220 56.400 -0.302 0.000 0.899 1058 E CB 0.086 29.598 29.700 -0.312 0.000 1.032 1058 E HN 0.243 nan 8.360 nan 0.000 0.468 1059 R N 0.884 121.140 120.500 -0.407 0.000 2.592 1059 R HA 0.322 4.662 4.340 0.001 0.000 0.439 1059 R C -0.339 175.876 176.300 -0.142 0.000 0.995 1059 R CA -0.259 55.555 56.100 -0.477 0.000 1.141 1059 R CB 0.878 30.971 30.300 -0.345 0.000 1.495 1059 R HN 0.031 nan 8.270 nan 0.000 0.579 1060 I N 2.439 123.027 120.570 0.030 0.000 2.503 1060 I HA 0.281 4.451 4.170 0.001 0.000 0.277 1060 I C -2.466 173.799 176.117 0.248 0.000 1.078 1060 I CA -3.107 58.281 61.300 0.147 0.000 1.184 1060 I CB 0.744 38.829 38.000 0.142 0.000 1.353 1060 I HN -0.304 nan 8.210 nan 0.000 0.490 1061 P HA 0.005 nan 4.420 nan 0.000 0.250 1061 P C 1.091 178.509 177.300 0.197 0.000 1.161 1061 P CA 0.422 63.659 63.100 0.228 0.000 0.863 1061 P CB 0.207 32.066 31.700 0.265 0.000 0.827 1062 N N 1.864 120.637 118.700 0.121 0.000 2.307 1062 N HA -0.224 4.517 4.740 0.001 0.000 0.201 1062 N C 1.193 176.858 175.510 0.258 0.000 0.943 1062 N CA 2.171 55.295 53.050 0.124 0.000 0.941 1062 N CB -0.202 38.217 38.487 -0.113 0.000 1.057 1062 N HN 0.530 nan 8.380 nan 0.000 0.601 1063 G N -2.784 106.121 108.800 0.175 0.000 3.302 1063 G HA2 0.512 4.473 3.960 0.001 0.000 0.170 1063 G HA3 0.512 4.473 3.960 0.001 0.000 0.170 1063 G C -1.097 173.860 174.900 0.095 0.000 1.119 1063 G CA 0.027 45.187 45.100 0.101 0.000 0.826 1063 G HN 0.102 nan 8.290 nan 0.000 0.646 1064 T N -0.012 114.522 114.554 -0.035 0.000 3.566 1064 T HA 0.556 4.907 4.350 0.001 0.000 0.330 1064 T C -0.010 174.596 174.700 -0.156 0.000 0.877 1064 T CA 0.430 62.394 62.100 -0.226 0.000 1.030 1064 T CB 1.053 69.750 68.868 -0.286 0.000 1.033 1064 T HN 1.100 nan 8.240 nan 0.000 0.463 1065 A N 3.369 126.181 122.820 -0.015 0.000 2.664 1065 A HA 0.700 5.020 4.320 0.001 0.000 0.222 1065 A C 0.319 178.058 177.584 0.259 0.000 1.320 1065 A CA -0.168 51.958 52.037 0.148 0.000 1.029 1065 A CB 0.320 19.420 19.000 0.167 0.000 1.318 1065 A HN 0.780 nan 8.150 nan 0.000 0.589 1066 I N 0.000 120.724 120.570 0.257 0.000 2.984 1066 I HA 0.000 4.170 4.170 0.001 0.000 0.288 1066 I CA 0.000 61.423 61.300 0.205 0.000 1.566 1066 I CB 0.000 38.067 38.000 0.112 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494