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 2uvb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRPEVEQELA YTLLVELLAY QFAMPVRWIE TQDVILAEKR TERIVEIGPS DATA SEQUENCE DTLGGMARRT LQSKYEAYDA ATSVQRQILC YCKDAKEIYY DVEPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXIDALTK DQRALFKQQL EIIARYLKMD DATA SEQUENCE LRAGDKAFVA SQESQKALQA QLDLWQAEHG DIYAAGIEPA FDPLKARVYD DATA SEQUENCE SSWNWARQDA LSMYYDIIFG RLRVVDREIV SQCIQIMNRS NPLLLEFMQY DATA SEQUENCE HIDHCPTERG ETYQLAKELG QQLIENCKEV LGKPPVYKDV SIPTGPQTTI DATA SEQUENCE DARGNIQYQE VPRASARKFE HYVKQMAEGG PISQYSNRTK VQNDLRSVYK DATA SEQUENCE LIRRQHRLSK SSQLQFNALY KDVIRALAMN ESQIMQXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXE TIPFLHLRKK DEFGNWEYSK KLTGIYLDGL EAAARSGLTF DATA SEQUENCE QGKHALMTGA GAGSIGAEVL QGLLSGGAKV IVTTSRFSRQ VTEYYQGIYA DATA SEQUENCE RCGARGSQLV VVPFNQGSKQ DVEALVNYIY DTKNGLGWDL DYVVPFAAIP DATA SEQUENCE ENGREIDSID SKSELAHRIM LTNLLRLLGA IKTQKKERGY ETRPAQVILP DATA SEQUENCE LSPNHGTFGN DGLYSESKLA LETLFNRWYS ESWGNYLTIC GAVIGWTRGT DATA SEQUENCE GLMSANNLVA EGVEKLGVRT FSQQEMAFNL LGLMAPAIVN LCQSDPVFAD DATA SEQUENCE LNGGLQFIPD LKGLMTKLRK EIMETSAIRQ AVIKETAIEN KVVNGEDHEA DATA SEQUENCE LYRRVITEPR ANLKYPFPEL PDWDKDIKPL NDQLRGMVNL DKVVVVTGLA DATA SEQUENCE EIGPWGNART RWEMEAYGKF SLEGCVEMAW MMGLIKNHNG PLKGKPYSGW DATA SEQUENCE VDAKTGEPVD DKDVKAKYEK YILEHSGIRL IEPELFGGYD PNRKQLLQEV DATA SEQUENCE VIEQDLEPFE ASKEQAEEFK REHGDKVEIF EIPETGQYTV RLRKGATLLI DATA SEQUENCE PKALQFDRLV AGQIPTGWDA RRYGVPEDII QQVDPVTLYV LVSVAEALLS DATA SEQUENCE SGITDPYEFY KYVHLSEVGN CIGSGVGGTS ALRGMYKDRY LDKPVQKDIL DATA SEQUENCE QESFVNTMAA WVNMLLLSST GPIKTPVGAC ATAVESLDVG YDTIMQGKAR DATA SEQUENCE VCLVGGFDDF QEEGSYEFAN MGATSNAKEE FARGREPGEM SRPTSTTRNG DATA SEQUENCE FMESQGCGVQ VIMTAQLALE MGVPIYGIVA MTSTATDKIG RSVPAPGQGV DATA SEQUENCE LTTAREKSGN FPSPLLDIKY RRRQLELRRQ QIKQWKESEY LYLQEEVAAI DATA SEQUENCE KSQRSEEDGP FDETAYLRER TEHIEREARR QEAEAQTSFG NEFWRRDSRI DATA SEQUENCE APLRGALATW GLTIDDLGVA SFHGTSTVAN DKNESDVICQ QLKHLGRTKG DATA SEQUENCE NAVLGIFQKY LTGHPKGAAG AWMLNGCLQV LNTGIVPGNR NADNVDKVME DATA SEQUENCE QFDYIVYPSR SIKTDGIKAF SVTSFGFGQK GAQAIGVHPK YLFATLDKAQ DATA SEQUENCE YEAYCVKVQA RQKKAYRFFH NGLINNKLFV AKDKAPYEDR IQSKVFLNPQ DATA SEQUENCE SRVTQESNGE LKFPA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 R N 1.513 122.016 120.500 0.005 0.000 2.248 2 R HA 0.204 4.545 4.340 0.002 0.000 0.337 2 R C -1.815 174.487 176.300 0.005 0.000 1.085 2 R CA -1.357 54.745 56.100 0.004 0.000 0.934 2 R CB 0.542 30.844 30.300 0.003 0.000 1.034 2 R HN -0.030 nan 8.270 nan 0.000 0.465 3 P HA -0.216 nan 4.420 nan 0.000 0.215 3 P C 0.368 177.670 177.300 0.004 0.000 1.157 3 P CA 1.445 64.548 63.100 0.005 0.000 0.874 3 P CB 0.255 31.957 31.700 0.003 0.000 0.790 4 E N -0.803 119.396 120.200 -0.001 0.000 2.204 4 E HA -0.087 4.264 4.350 0.002 0.000 0.194 4 E C 1.911 178.507 176.600 -0.007 0.000 0.989 4 E CA 0.724 57.119 56.400 -0.008 0.000 0.824 4 E CB -0.657 29.036 29.700 -0.012 0.000 0.756 4 E HN 0.089 nan 8.360 nan 0.000 0.477 5 V N 1.728 121.642 119.914 0.000 0.000 2.255 5 V HA -0.232 3.889 4.120 0.002 0.000 0.243 5 V C 2.094 178.197 176.094 0.015 0.000 1.038 5 V CA 1.899 64.202 62.300 0.005 0.000 1.008 5 V CB -0.466 31.361 31.823 0.007 0.000 0.645 5 V HN 0.199 nan 8.190 nan 0.000 0.449 6 E N -0.387 119.823 120.200 0.017 0.000 2.147 6 E HA -0.317 4.034 4.350 0.002 0.000 0.199 6 E C 2.294 178.916 176.600 0.037 0.000 1.005 6 E CA 1.581 57.996 56.400 0.025 0.000 0.810 6 E CB -0.160 29.552 29.700 0.020 0.000 0.736 6 E HN 0.610 nan 8.360 nan 0.000 0.460 7 Q N 0.559 120.378 119.800 0.031 0.000 1.948 7 Q HA -0.229 4.112 4.340 0.002 0.000 0.205 7 Q C 2.114 178.160 176.000 0.076 0.000 0.992 7 Q CA 1.710 57.539 55.803 0.044 0.000 0.849 7 Q CB -0.146 28.597 28.738 0.009 0.000 0.918 7 Q HN 0.384 nan 8.270 nan 0.000 0.421 8 E N 0.304 120.522 120.200 0.031 0.000 2.209 8 E HA -0.186 4.165 4.350 0.002 0.000 0.196 8 E C 2.083 178.763 176.600 0.133 0.000 0.993 8 E CA 0.684 57.111 56.400 0.045 0.000 0.819 8 E CB -0.096 29.597 29.700 -0.012 0.000 0.745 8 E HN 0.323 nan 8.360 nan 0.000 0.477 9 L N 0.584 121.863 121.223 0.092 0.000 2.034 9 L HA -0.086 4.255 4.340 0.002 0.000 0.203 9 L C 2.676 179.602 176.870 0.093 0.000 1.074 9 L CA 0.924 55.814 54.840 0.082 0.000 0.748 9 L CB -0.531 41.558 42.059 0.049 0.000 0.905 9 L HN 0.107 nan 8.230 nan 0.000 0.439 10 A N -0.557 122.315 122.820 0.086 0.000 1.927 10 A HA -0.333 3.988 4.320 0.002 0.000 0.220 10 A C 2.189 179.833 177.584 0.100 0.000 1.185 10 A CA 2.086 54.169 52.037 0.075 0.000 0.639 10 A CB -1.124 17.916 19.000 0.068 0.000 0.820 10 A HN 0.506 nan 8.150 nan 0.000 0.451 11 Y N 1.426 121.735 120.300 0.015 0.000 2.030 11 Y HA -0.280 4.271 4.550 0.002 0.000 0.274 11 Y C 2.736 178.651 175.900 0.024 0.000 1.153 11 Y CA 2.898 61.009 58.100 0.018 0.000 1.115 11 Y CB -0.732 37.738 38.460 0.016 0.000 0.969 11 Y HN 0.346 nan 8.280 nan 0.000 0.488 12 T N 1.074 115.737 114.554 0.182 0.000 2.995 12 T HA -0.126 4.226 4.350 0.002 0.000 0.269 12 T C 1.720 176.426 174.700 0.011 0.000 1.091 12 T CA 1.004 63.146 62.100 0.070 0.000 1.128 12 T CB -0.472 68.501 68.868 0.175 0.000 0.891 12 T HN 0.263 nan 8.240 nan 0.000 0.492 13 L N 1.389 122.626 121.223 0.023 0.000 1.994 13 L HA 0.064 4.406 4.340 0.002 0.000 0.208 13 L C 2.164 179.025 176.870 -0.015 0.000 1.071 13 L CA 1.453 56.299 54.840 0.009 0.000 0.745 13 L CB -1.131 40.937 42.059 0.016 0.000 0.892 13 L HN 0.169 nan 8.230 nan 0.000 0.431 14 L N -0.768 120.429 121.223 -0.043 0.000 1.956 14 L HA -0.226 4.115 4.340 0.002 0.000 0.216 14 L C 2.594 179.404 176.870 -0.100 0.000 1.073 14 L CA 2.296 57.093 54.840 -0.071 0.000 0.762 14 L CB -0.914 41.089 42.059 -0.094 0.000 0.889 14 L HN 0.201 nan 8.230 nan 0.000 0.433 15 V N 0.373 120.165 119.914 -0.202 0.000 2.278 15 V HA -0.309 3.812 4.120 0.002 0.000 0.251 15 V C 2.695 178.766 176.094 -0.037 0.000 1.062 15 V CA 2.009 64.194 62.300 -0.192 0.000 1.038 15 V CB -0.647 30.989 31.823 -0.312 0.000 0.646 15 V HN 0.467 nan 8.190 nan 0.000 0.447 16 E N -0.130 120.082 120.200 0.021 0.000 2.028 16 E HA -0.139 4.212 4.350 0.002 0.000 0.191 16 E C 2.260 178.976 176.600 0.193 0.000 0.988 16 E CA 1.062 57.556 56.400 0.157 0.000 0.799 16 E CB -0.516 29.258 29.700 0.122 0.000 0.755 16 E HN 0.516 nan 8.360 nan 0.000 0.447 17 L N 0.702 121.974 121.223 0.082 0.000 2.021 17 L HA -0.254 4.088 4.340 0.002 0.000 0.215 17 L C 2.598 179.511 176.870 0.071 0.000 1.074 17 L CA 1.222 56.101 54.840 0.065 0.000 0.760 17 L CB -0.491 41.579 42.059 0.018 0.000 0.889 17 L HN 0.130 nan 8.230 nan 0.000 0.433 18 L N -1.248 119.992 121.223 0.027 0.000 2.005 18 L HA -0.184 4.157 4.340 0.002 0.000 0.207 18 L C 2.900 179.770 176.870 0.001 0.000 1.072 18 L CA 1.118 55.947 54.840 -0.019 0.000 0.744 18 L CB -0.987 41.039 42.059 -0.054 0.000 0.895 18 L HN 0.271 nan 8.230 nan 0.000 0.433 19 A N 0.048 122.899 122.820 0.053 0.000 1.869 19 A HA -0.283 4.038 4.320 0.002 0.000 0.218 19 A C 1.980 179.621 177.584 0.094 0.000 1.203 19 A CA 2.027 54.097 52.037 0.056 0.000 0.638 19 A CB -1.176 17.815 19.000 -0.014 0.000 0.831 19 A HN 0.445 nan 8.150 nan 0.000 0.450 20 Y N -0.289 120.070 120.300 0.099 0.000 2.583 20 Y HA -0.037 4.514 4.550 0.002 0.000 0.293 20 Y C 2.438 178.397 175.900 0.099 0.000 1.157 20 Y CA 0.892 59.059 58.100 0.112 0.000 1.315 20 Y CB -0.166 38.331 38.460 0.062 0.000 1.021 20 Y HN 0.478 nan 8.280 nan 0.000 0.536 21 Q N -0.103 119.790 119.800 0.155 0.000 2.197 21 Q HA -0.227 4.114 4.340 0.002 0.000 0.207 21 Q C 1.498 177.526 176.000 0.046 0.000 0.984 21 Q CA 1.517 57.351 55.803 0.051 0.000 0.869 21 Q CB -0.291 28.414 28.738 -0.054 0.000 0.906 21 Q HN 0.436 nan 8.270 nan 0.000 0.426 22 F N 0.698 120.661 119.950 0.023 0.000 2.041 22 F HA -0.269 4.260 4.527 0.002 0.000 0.296 22 F C 1.875 177.687 175.800 0.021 0.000 1.147 22 F CA 1.805 59.808 58.000 0.004 0.000 1.214 22 F CB -0.667 38.316 39.000 -0.029 0.000 0.947 22 F HN 0.143 nan 8.300 nan 0.000 0.511 23 A N -0.336 122.655 122.820 0.285 0.000 2.988 23 A HA 0.382 4.703 4.320 0.002 0.000 0.288 23 A C 0.013 177.685 177.584 0.148 0.000 1.385 23 A CA 0.064 52.205 52.037 0.173 0.000 1.001 23 A CB -0.594 18.484 19.000 0.130 0.000 1.071 23 A HN 0.191 nan 8.150 nan 0.000 0.608 24 M N 0.873 120.551 119.600 0.131 0.000 2.182 24 M HA 0.311 4.792 4.480 0.002 0.000 0.266 24 M C -2.975 173.371 176.300 0.077 0.000 0.989 24 M CA -1.931 53.431 55.300 0.103 0.000 1.003 24 M CB 1.567 34.237 32.600 0.115 0.000 1.812 24 M HN -0.009 nan 8.290 nan 0.000 0.472 25 P HA 0.077 nan 4.420 nan 0.000 0.266 25 P C -0.579 176.760 177.300 0.064 0.000 1.193 25 P CA -0.265 62.869 63.100 0.058 0.000 0.770 25 P CB 0.419 32.149 31.700 0.051 0.000 0.836 26 V N 4.308 124.264 119.914 0.070 0.000 2.353 26 V HA 0.168 4.289 4.120 0.002 0.000 0.264 26 V C 1.205 177.379 176.094 0.133 0.000 1.049 26 V CA -0.420 61.939 62.300 0.100 0.000 0.896 26 V CB 0.045 31.921 31.823 0.089 0.000 1.025 26 V HN 0.484 nan 8.190 nan 0.000 0.475 27 R N 4.721 125.297 120.500 0.125 0.000 4.138 27 R HA 0.073 4.414 4.340 0.002 0.000 0.206 27 R C 0.775 177.155 176.300 0.133 0.000 1.667 27 R CA -0.398 55.765 56.100 0.105 0.000 1.481 27 R CB 0.073 30.403 30.300 0.050 0.000 1.388 27 R HN 0.900 nan 8.270 nan 0.000 0.776 28 W N 2.602 123.902 121.300 0.000 0.000 2.800 28 W HA -0.003 4.658 4.660 0.002 0.000 0.249 28 W C 0.766 177.286 176.519 0.002 0.000 1.294 28 W CA 0.371 57.715 57.345 -0.002 0.000 1.402 28 W CB 0.222 29.679 29.460 -0.004 0.000 1.126 28 W HN 0.368 nan 8.180 nan 0.000 0.652 29 I N 0.572 121.160 120.570 0.029 0.000 2.206 29 I HA -0.264 3.907 4.170 0.002 0.000 0.239 29 I C 2.126 178.172 176.117 -0.119 0.000 1.078 29 I CA 1.358 62.634 61.300 -0.040 0.000 1.367 29 I CB -0.831 37.183 38.000 0.023 0.000 1.078 29 I HN -0.147 nan 8.210 nan 0.000 0.413 30 E N 0.889 121.042 120.200 -0.080 0.000 2.160 30 E HA -0.193 4.158 4.350 0.002 0.000 0.195 30 E C 2.076 178.581 176.600 -0.158 0.000 0.991 30 E CA 1.863 58.210 56.400 -0.087 0.000 0.810 30 E CB -0.444 29.227 29.700 -0.049 0.000 0.742 30 E HN 0.496 nan 8.360 nan 0.000 0.466 31 T N 1.294 115.696 114.554 -0.253 0.000 2.737 31 T HA -0.155 4.197 4.350 0.002 0.000 0.265 31 T C 1.903 176.295 174.700 -0.514 0.000 1.038 31 T CA 1.061 62.928 62.100 -0.389 0.000 1.144 31 T CB -0.156 68.401 68.868 -0.519 0.000 0.866 31 T HN 0.174 nan 8.240 nan 0.000 0.434 32 Q N 0.494 119.894 119.800 -0.667 0.000 2.170 32 Q HA -0.153 4.189 4.340 0.002 0.000 0.203 32 Q C 1.838 177.657 176.000 -0.302 0.000 0.976 32 Q CA 1.463 56.941 55.803 -0.542 0.000 0.858 32 Q CB -0.150 28.311 28.738 -0.461 0.000 0.907 32 Q HN 0.499 nan 8.270 nan 0.000 0.433 33 D N -0.611 119.673 120.400 -0.192 0.000 2.194 33 D HA -0.088 4.553 4.640 0.002 0.000 0.204 33 D C 1.749 177.997 176.300 -0.086 0.000 0.964 33 D CA 0.515 54.482 54.000 -0.054 0.000 0.846 33 D CB 0.126 40.935 40.800 0.015 0.000 0.962 33 D HN -0.005 nan 8.370 nan 0.000 0.490 34 V N 0.871 120.708 119.914 -0.129 0.000 2.490 34 V HA -0.176 3.945 4.120 0.002 0.000 0.250 34 V C 2.184 178.207 176.094 -0.118 0.000 1.061 34 V CA 1.089 63.325 62.300 -0.108 0.000 1.064 34 V CB -0.263 31.493 31.823 -0.112 0.000 0.670 34 V HN 0.282 nan 8.190 nan 0.000 0.461 35 I N -0.919 119.550 120.570 -0.169 0.000 2.400 35 I HA -0.131 4.040 4.170 0.002 0.000 0.248 35 I C 2.154 178.173 176.117 -0.163 0.000 1.109 35 I CA 1.406 62.610 61.300 -0.160 0.000 1.425 35 I CB -0.169 37.714 38.000 -0.196 0.000 1.094 35 I HN 0.264 nan 8.210 nan 0.000 0.425 36 L N 0.260 121.339 121.223 -0.239 0.000 2.162 36 L HA 0.018 4.359 4.340 0.002 0.000 0.205 36 L C 2.564 179.294 176.870 -0.234 0.000 1.086 36 L CA 0.994 55.625 54.840 -0.349 0.000 0.778 36 L CB -0.384 41.207 42.059 -0.779 0.000 0.928 36 L HN 0.164 nan 8.230 nan 0.000 0.446 37 A N -0.613 122.136 122.820 -0.119 0.000 1.909 37 A HA -0.010 4.311 4.320 0.002 0.000 0.210 37 A C 2.102 179.679 177.584 -0.011 0.000 1.273 37 A CA 0.312 52.321 52.037 -0.046 0.000 0.654 37 A CB -0.205 18.802 19.000 0.011 0.000 0.945 37 A HN 0.216 nan 8.150 nan 0.000 0.471 38 E N -0.028 120.158 120.200 -0.023 0.000 2.007 38 E HA -0.152 4.199 4.350 0.002 0.000 0.194 38 E C 1.515 178.115 176.600 -0.000 0.000 0.999 38 E CA 1.382 57.778 56.400 -0.008 0.000 0.811 38 E CB -0.102 29.584 29.700 -0.023 0.000 0.762 38 E HN 0.378 nan 8.360 nan 0.000 0.450 39 K N 0.200 120.587 120.400 -0.021 0.000 2.404 39 K HA 0.124 4.445 4.320 0.002 0.000 0.194 39 K C -0.352 176.244 176.600 -0.007 0.000 1.023 39 K CA -0.106 56.173 56.287 -0.013 0.000 1.094 39 K CB 0.262 32.747 32.500 -0.025 0.000 0.841 39 K HN 0.011 nan 8.250 nan 0.000 0.523 40 R N 1.679 122.175 120.500 -0.006 0.000 3.109 40 R HA -0.145 4.196 4.340 0.002 0.000 0.241 40 R C -0.575 175.724 176.300 -0.002 0.000 0.882 40 R CA 0.869 56.976 56.100 0.013 0.000 0.604 40 R CB -2.240 28.109 30.300 0.082 0.000 1.040 40 R HN 0.338 nan 8.270 nan 0.000 0.480 41 T N -2.855 111.677 114.554 -0.036 0.000 2.888 41 T HA 0.093 4.444 4.350 0.002 0.000 0.301 41 T C 1.220 175.907 174.700 -0.022 0.000 1.001 41 T CA -0.480 61.603 62.100 -0.029 0.000 1.147 41 T CB 1.422 70.265 68.868 -0.043 0.000 0.931 41 T HN 0.357 nan 8.240 nan 0.000 0.541 42 E N 2.367 122.566 120.200 -0.003 0.000 2.051 42 E HA 0.004 4.356 4.350 0.002 0.000 0.189 42 E C 0.725 177.324 176.600 -0.002 0.000 0.979 42 E CA 0.597 56.999 56.400 0.004 0.000 0.803 42 E CB 0.173 29.884 29.700 0.018 0.000 0.761 42 E HN 0.566 nan 8.360 nan 0.000 0.451 43 R N 1.443 121.944 120.500 0.001 0.000 2.215 43 R HA 0.340 4.681 4.340 0.002 0.000 0.336 43 R C -0.575 175.721 176.300 -0.007 0.000 0.996 43 R CA -0.170 55.929 56.100 -0.002 0.000 0.847 43 R CB 0.850 31.153 30.300 0.005 0.000 1.127 43 R HN 0.055 nan 8.270 nan 0.000 0.465 44 I N 3.832 124.396 120.570 -0.010 0.000 2.304 44 I HA 0.236 4.407 4.170 0.002 0.000 0.291 44 I C -0.183 175.944 176.117 0.016 0.000 1.018 44 I CA -0.905 60.395 61.300 -0.001 0.000 1.260 44 I CB 1.421 39.417 38.000 -0.005 0.000 1.390 44 I HN 0.177 nan 8.210 nan 0.000 0.475 45 V N 6.137 126.067 119.914 0.027 0.000 2.394 45 V HA 0.255 4.376 4.120 0.002 0.000 0.282 45 V C 0.185 176.319 176.094 0.067 0.000 1.031 45 V CA -0.562 61.763 62.300 0.042 0.000 0.881 45 V CB 1.632 33.477 31.823 0.036 0.000 0.982 45 V HN 0.735 nan 8.190 nan 0.000 0.451 46 E N 4.623 124.871 120.200 0.079 0.000 2.191 46 E HA 0.577 4.928 4.350 0.002 0.000 0.278 46 E C -1.295 175.365 176.600 0.100 0.000 0.972 46 E CA -0.604 55.846 56.400 0.083 0.000 0.804 46 E CB 1.390 31.133 29.700 0.072 0.000 1.110 46 E HN 0.625 nan 8.360 nan 0.000 0.394 47 I N 4.227 124.831 120.570 0.057 0.000 2.411 47 I HA 0.579 4.750 4.170 0.002 0.000 0.284 47 I C 0.293 176.390 176.117 -0.033 0.000 1.012 47 I CA -0.323 60.983 61.300 0.011 0.000 1.119 47 I CB 1.594 39.564 38.000 -0.050 0.000 1.261 47 I HN 0.715 nan 8.210 nan 0.000 0.448 48 G N 6.270 115.057 108.800 -0.022 0.000 2.323 48 G HA2 0.222 4.183 3.960 0.002 0.000 0.291 48 G HA3 0.222 4.183 3.960 0.002 0.000 0.291 48 G C -2.856 172.056 174.900 0.019 0.000 1.278 48 G CA -0.393 44.688 45.100 -0.031 0.000 0.860 48 G HN 0.283 nan 8.290 nan 0.000 0.504 49 P HA 0.255 nan 4.420 nan 0.000 0.230 49 P C 0.431 177.746 177.300 0.025 0.000 1.168 49 P CA 0.680 63.793 63.100 0.022 0.000 0.793 49 P CB 0.499 32.198 31.700 -0.001 0.000 0.851 50 S N -0.205 115.503 115.700 0.012 0.000 2.627 50 S HA 0.293 4.764 4.470 0.002 0.000 0.283 50 S C -0.872 173.734 174.600 0.010 0.000 1.127 50 S CA -0.728 57.477 58.200 0.008 0.000 0.863 50 S CB 1.210 64.405 63.200 -0.008 0.000 1.121 50 S HN 0.098 nan 8.310 nan 0.000 0.479 51 D N 0.947 121.353 120.400 0.010 0.000 2.896 51 D HA 0.081 4.722 4.640 0.002 0.000 0.240 51 D C 1.193 177.493 176.300 -0.000 0.000 1.193 51 D CA -0.268 53.740 54.000 0.012 0.000 0.983 51 D CB -0.312 40.498 40.800 0.016 0.000 1.074 51 D HN 0.554 nan 8.370 nan 0.000 0.496 52 T N -1.609 112.933 114.554 -0.020 0.000 2.781 52 T HA -0.049 4.302 4.350 0.002 0.000 0.252 52 T C 2.110 176.785 174.700 -0.042 0.000 1.039 52 T CA 0.147 62.222 62.100 -0.041 0.000 1.147 52 T CB -0.513 68.311 68.868 -0.073 0.000 0.865 52 T HN 0.239 nan 8.240 nan 0.000 0.423 53 L N 1.237 122.424 121.223 -0.060 0.000 2.362 53 L HA 0.154 4.495 4.340 0.002 0.000 0.219 53 L C 2.958 179.882 176.870 0.090 0.000 1.134 53 L CA 0.917 55.752 54.840 -0.008 0.000 0.807 53 L CB -0.916 41.132 42.059 -0.018 0.000 0.927 53 L HN 0.517 nan 8.230 nan 0.000 0.447 54 G N 0.093 108.924 108.800 0.052 0.000 2.424 54 G HA2 -0.153 3.808 3.960 0.002 0.000 0.214 54 G HA3 -0.153 3.808 3.960 0.002 0.000 0.214 54 G C 1.579 176.509 174.900 0.049 0.000 1.202 54 G CA 0.642 45.775 45.100 0.054 0.000 0.793 54 G HN 0.429 nan 8.290 nan 0.000 0.534 55 G N 0.370 109.192 108.800 0.036 0.000 2.443 55 G HA2 -0.138 3.823 3.960 0.002 0.000 0.219 55 G HA3 -0.138 3.823 3.960 0.002 0.000 0.219 55 G C 1.764 176.693 174.900 0.050 0.000 1.131 55 G CA 0.999 46.120 45.100 0.034 0.000 0.775 55 G HN 0.411 nan 8.290 nan 0.000 0.547 56 M N 0.859 120.497 119.600 0.063 0.000 2.159 56 M HA 0.092 4.573 4.480 0.002 0.000 0.263 56 M C 2.496 178.881 176.300 0.140 0.000 1.063 56 M CA 1.751 57.114 55.300 0.104 0.000 1.110 56 M CB 0.043 32.709 32.600 0.112 0.000 1.374 56 M HN 0.235 nan 8.290 nan 0.000 0.411 57 A N -0.557 122.341 122.820 0.131 0.000 2.178 57 A HA 0.051 4.372 4.320 0.002 0.000 0.211 57 A C 1.972 179.575 177.584 0.031 0.000 1.157 57 A CA 0.445 52.532 52.037 0.082 0.000 0.780 57 A CB -0.357 18.688 19.000 0.075 0.000 0.828 57 A HN 0.519 nan 8.150 nan 0.000 0.476 58 R N -0.616 119.909 120.500 0.041 0.000 2.127 58 R HA 0.082 4.423 4.340 0.002 0.000 0.217 58 R C 2.193 178.519 176.300 0.043 0.000 1.074 58 R CA 0.712 56.831 56.100 0.031 0.000 0.991 58 R CB -0.123 30.194 30.300 0.029 0.000 0.895 58 R HN 0.400 nan 8.270 nan 0.000 0.450 59 R N -0.016 120.516 120.500 0.054 0.000 2.090 59 R HA -0.061 4.280 4.340 0.002 0.000 0.228 59 R C 2.106 178.451 176.300 0.076 0.000 1.110 59 R CA 1.858 57.994 56.100 0.060 0.000 0.973 59 R CB -0.255 30.080 30.300 0.059 0.000 0.869 59 R HN 0.299 nan 8.270 nan 0.000 0.440 60 T N -0.255 114.350 114.554 0.084 0.000 2.995 60 T HA 0.005 4.357 4.350 0.002 0.000 0.269 60 T C 1.894 176.697 174.700 0.171 0.000 1.091 60 T CA 0.547 62.719 62.100 0.120 0.000 1.128 60 T CB -0.056 68.870 68.868 0.096 0.000 0.891 60 T HN 0.107 nan 8.240 nan 0.000 0.492 61 L N 0.177 121.451 121.223 0.084 0.000 2.217 61 L HA -0.000 4.341 4.340 0.002 0.000 0.211 61 L C 2.819 179.774 176.870 0.141 0.000 1.107 61 L CA 1.261 56.158 54.840 0.094 0.000 0.783 61 L CB -0.381 41.689 42.059 0.019 0.000 0.919 61 L HN 0.410 nan 8.230 nan 0.000 0.442 62 Q N -0.788 119.075 119.800 0.104 0.000 2.107 62 Q HA -0.097 4.244 4.340 0.002 0.000 0.195 62 Q C 2.283 178.330 176.000 0.079 0.000 0.964 62 Q CA 1.487 57.340 55.803 0.083 0.000 0.833 62 Q CB -0.008 28.764 28.738 0.058 0.000 0.910 62 Q HN 0.439 nan 8.270 nan 0.000 0.465 63 S N -0.132 115.614 115.700 0.075 0.000 2.515 63 S HA -0.000 4.471 4.470 0.002 0.000 0.231 63 S C 1.495 176.111 174.600 0.026 0.000 0.987 63 S CA 0.774 59.003 58.200 0.048 0.000 0.936 63 S CB 0.201 63.427 63.200 0.044 0.000 0.766 63 S HN 0.152 nan 8.310 nan 0.000 0.528 64 K N -0.994 119.431 120.400 0.042 0.000 2.494 64 K HA 0.252 4.573 4.320 0.002 0.000 0.201 64 K C 0.414 176.917 176.600 -0.163 0.000 1.338 64 K CA 0.211 56.434 56.287 -0.107 0.000 0.935 64 K CB 0.090 32.449 32.500 -0.234 0.000 1.514 64 K HN 0.308 nan 8.250 nan 0.000 0.490 65 Y N 2.247 122.545 120.300 -0.004 0.000 2.462 65 Y HA 0.019 4.570 4.550 0.002 0.000 0.293 65 Y C 1.737 177.688 175.900 0.086 0.000 1.195 65 Y CA 0.166 58.280 58.100 0.023 0.000 1.276 65 Y CB -0.127 38.314 38.460 -0.031 0.000 1.082 65 Y HN 0.195 nan 8.280 nan 0.000 0.514 66 E N 1.731 122.020 120.200 0.148 0.000 2.012 66 E HA -0.286 4.065 4.350 0.002 0.000 0.211 66 E C 2.271 178.939 176.600 0.114 0.000 1.029 66 E CA 2.219 58.686 56.400 0.112 0.000 0.867 66 E CB -0.416 29.323 29.700 0.066 0.000 0.790 66 E HN 0.296 nan 8.360 nan 0.000 0.482 67 A N -1.211 121.663 122.820 0.090 0.000 2.067 67 A HA -0.043 4.279 4.320 0.002 0.000 0.217 67 A C 2.200 179.838 177.584 0.090 0.000 1.156 67 A CA 1.150 53.228 52.037 0.069 0.000 0.683 67 A CB -0.854 18.168 19.000 0.037 0.000 0.808 67 A HN 0.552 nan 8.150 nan 0.000 0.455 68 Y N 1.182 121.492 120.300 0.017 0.000 2.114 68 Y HA -0.274 4.277 4.550 0.002 0.000 0.284 68 Y C 1.846 177.786 175.900 0.066 0.000 1.143 68 Y CA 2.244 60.364 58.100 0.033 0.000 1.135 68 Y CB -0.146 38.331 38.460 0.029 0.000 0.980 68 Y HN 0.346 nan 8.280 nan 0.000 0.499 69 D N 0.176 120.811 120.400 0.392 0.000 2.144 69 D HA -0.180 4.462 4.640 0.002 0.000 0.199 69 D C 2.211 178.562 176.300 0.085 0.000 0.984 69 D CA 1.425 55.581 54.000 0.260 0.000 0.834 69 D CB -0.517 40.420 40.800 0.229 0.000 0.955 69 D HN 0.510 nan 8.370 nan 0.000 0.465 70 A N 0.657 123.516 122.820 0.064 0.000 1.898 70 A HA 0.004 4.325 4.320 0.002 0.000 0.216 70 A C 2.257 179.827 177.584 -0.023 0.000 1.181 70 A CA 2.094 54.144 52.037 0.021 0.000 0.620 70 A CB -0.745 18.271 19.000 0.026 0.000 0.819 70 A HN 0.237 nan 8.150 nan 0.000 0.442 71 A N -0.914 121.867 122.820 -0.064 0.000 1.854 71 A HA -0.032 4.289 4.320 0.002 0.000 0.214 71 A C 2.176 179.673 177.584 -0.146 0.000 1.192 71 A CA 2.052 54.024 52.037 -0.109 0.000 0.611 71 A CB -1.211 17.704 19.000 -0.142 0.000 0.832 71 A HN 0.423 nan 8.150 nan 0.000 0.442 72 T N 0.940 115.351 114.554 -0.239 0.000 3.113 72 T HA 0.060 4.411 4.350 0.002 0.000 0.263 72 T C 0.997 175.645 174.700 -0.086 0.000 1.143 72 T CA 1.198 63.162 62.100 -0.227 0.000 1.090 72 T CB -0.620 68.012 68.868 -0.394 0.000 0.922 72 T HN 1.461 nan 8.240 nan 0.000 0.521 73 S N -0.065 115.605 115.700 -0.049 0.000 3.614 73 S HA -0.171 4.300 4.470 0.002 0.000 0.360 73 S C 0.115 174.724 174.600 0.014 0.000 1.023 73 S CA 0.010 58.204 58.200 -0.010 0.000 1.114 73 S CB -2.764 60.429 63.200 -0.013 0.000 0.907 73 S HN 0.347 nan 8.310 nan 0.000 0.470 74 V N 2.141 122.079 119.914 0.040 0.000 2.455 74 V HA 0.236 4.357 4.120 0.002 0.000 0.273 74 V C 0.933 177.062 176.094 0.058 0.000 1.045 74 V CA 0.018 62.361 62.300 0.072 0.000 0.976 74 V CB 1.045 32.959 31.823 0.152 0.000 0.993 74 V HN 0.673 nan 8.190 nan 0.000 0.475 75 Q N 5.505 125.329 119.800 0.041 0.000 2.279 75 Q HA 0.528 4.869 4.340 0.002 0.000 0.256 75 Q C -0.405 175.610 176.000 0.025 0.000 0.937 75 Q CA -0.254 55.568 55.803 0.031 0.000 0.933 75 Q CB 1.542 30.295 28.738 0.026 0.000 1.189 75 Q HN 0.617 nan 8.270 nan 0.000 0.417 76 R N 1.789 122.300 120.500 0.019 0.000 2.750 76 R HA 0.403 4.744 4.340 0.002 0.000 0.281 76 R C -0.994 175.307 176.300 0.002 0.000 0.972 76 R CA -0.686 55.416 56.100 0.003 0.000 0.912 76 R CB 2.123 32.416 30.300 -0.013 0.000 1.187 76 R HN 0.518 nan 8.270 nan 0.000 0.464 77 Q N 3.173 122.970 119.800 -0.004 0.000 2.309 77 Q HA 0.342 4.683 4.340 0.002 0.000 0.254 77 Q C -1.500 174.496 176.000 -0.007 0.000 0.938 77 Q CA -0.361 55.440 55.803 -0.003 0.000 0.789 77 Q CB 1.470 30.207 28.738 -0.002 0.000 1.313 77 Q HN 0.600 nan 8.270 nan 0.000 0.438 78 I N 5.378 125.945 120.570 -0.004 0.000 2.312 78 I HA 0.346 4.518 4.170 0.002 0.000 0.290 78 I C -0.622 175.497 176.117 0.005 0.000 1.008 78 I CA -0.533 60.769 61.300 0.003 0.000 1.226 78 I CB 0.932 38.937 38.000 0.008 0.000 1.371 78 I HN 0.463 nan 8.210 nan 0.000 0.468 79 L N 6.370 127.597 121.223 0.008 0.000 2.341 79 L HA 0.480 4.821 4.340 0.002 0.000 0.278 79 L C -0.256 176.633 176.870 0.032 0.000 1.005 79 L CA -0.593 54.250 54.840 0.006 0.000 0.818 79 L CB 2.009 44.060 42.059 -0.013 0.000 1.259 79 L HN 0.633 nan 8.230 nan 0.000 0.418 80 C N 1.519 120.838 119.300 0.033 0.000 2.362 80 C HA 0.241 4.703 4.460 0.002 0.000 0.363 80 C C 1.548 176.592 174.990 0.089 0.000 1.220 80 C CA -0.341 58.716 59.018 0.065 0.000 2.379 80 C CB 0.811 28.580 27.740 0.049 0.000 2.351 80 C HN 0.855 nan 8.230 nan 0.000 0.582 81 Y N 1.701 122.012 120.300 0.018 0.000 2.263 81 Y HA -0.005 4.546 4.550 0.002 0.000 0.292 81 Y C 2.228 178.141 175.900 0.022 0.000 1.130 81 Y CA 2.235 60.356 58.100 0.035 0.000 1.179 81 Y CB -0.336 38.148 38.460 0.040 0.000 0.998 81 Y HN 0.851 nan 8.280 nan 0.000 0.532 82 C N 0.758 120.126 119.300 0.115 0.000 3.440 82 C HA -0.149 4.312 4.460 0.002 0.000 0.294 82 C C 2.561 177.527 174.990 -0.040 0.000 1.261 82 C CA 1.242 60.279 59.018 0.032 0.000 1.783 82 C CB -1.138 26.634 27.740 0.053 0.000 2.126 82 C HN 0.452 nan 8.230 nan 0.000 0.460 83 K N 1.083 121.473 120.400 -0.016 0.000 2.020 83 K HA -0.153 4.168 4.320 0.002 0.000 0.212 83 K C 0.659 177.230 176.600 -0.049 0.000 1.050 83 K CA 1.655 57.926 56.287 -0.027 0.000 0.929 83 K CB -0.453 32.041 32.500 -0.011 0.000 0.714 83 K HN 0.597 nan 8.250 nan 0.000 0.443 84 D N 0.386 120.757 120.400 -0.049 0.000 2.706 84 D HA 0.148 4.789 4.640 0.002 0.000 0.236 84 D C 0.905 177.147 176.300 -0.097 0.000 1.231 84 D CA 0.062 54.027 54.000 -0.059 0.000 0.828 84 D CB 0.619 41.397 40.800 -0.038 0.000 1.015 84 D HN 0.180 nan 8.370 nan 0.000 0.484 85 A N 1.071 123.802 122.820 -0.148 0.000 1.908 85 A HA -0.226 4.095 4.320 0.002 0.000 0.218 85 A C 2.151 179.638 177.584 -0.162 0.000 1.181 85 A CA 1.171 53.058 52.037 -0.249 0.000 0.627 85 A CB -0.072 18.735 19.000 -0.323 0.000 0.818 85 A HN 0.118 nan 8.150 nan 0.000 0.445 86 K N -0.418 119.910 120.400 -0.120 0.000 2.062 86 K HA -0.107 4.215 4.320 0.002 0.000 0.205 86 K C 1.808 178.382 176.600 -0.044 0.000 1.051 86 K CA 1.416 57.657 56.287 -0.077 0.000 0.941 86 K CB -0.178 32.283 32.500 -0.065 0.000 0.719 86 K HN 0.661 nan 8.250 nan 0.000 0.440 87 E N 0.845 120.998 120.200 -0.079 0.000 2.268 87 E HA -0.111 4.240 4.350 0.002 0.000 0.195 87 E C 1.907 178.338 176.600 -0.281 0.000 0.995 87 E CA 0.497 56.812 56.400 -0.141 0.000 0.836 87 E CB -0.007 29.627 29.700 -0.110 0.000 0.763 87 E HN 0.207 nan 8.360 nan 0.000 0.491 88 I N 0.343 120.819 120.570 -0.157 0.000 2.179 88 I HA -0.258 3.913 4.170 0.002 0.000 0.242 88 I C 1.625 177.583 176.117 -0.265 0.000 1.088 88 I CA 1.666 62.857 61.300 -0.182 0.000 1.357 88 I CB -0.817 37.184 38.000 0.003 0.000 1.051 88 I HN 0.180 nan 8.210 nan 0.000 0.409 89 Y N -0.833 119.344 120.300 -0.204 0.000 2.470 89 Y HA 0.050 4.601 4.550 0.002 0.000 0.284 89 Y C -0.102 175.829 175.900 0.052 0.000 1.188 89 Y CA -0.536 57.531 58.100 -0.054 0.000 1.269 89 Y CB -0.358 38.084 38.460 -0.030 0.000 1.094 89 Y HN 0.028 nan 8.280 nan 0.000 0.518 90 Y N 0.053 120.415 120.300 0.103 0.000 3.001 90 Y HA -0.292 4.259 4.550 0.002 0.000 0.199 90 Y C -0.257 175.680 175.900 0.061 0.000 1.320 90 Y CA 0.325 58.460 58.100 0.059 0.000 0.974 90 Y CB -1.520 36.961 38.460 0.034 0.000 1.291 90 Y HN 0.191 nan 8.280 nan 0.000 0.465 91 D N 0.793 121.277 120.400 0.140 0.000 2.460 91 D HA 0.638 5.279 4.640 0.002 0.000 0.232 91 D C -0.884 175.449 176.300 0.054 0.000 1.079 91 D CA -0.244 53.810 54.000 0.089 0.000 0.864 91 D CB 0.786 41.614 40.800 0.048 0.000 1.048 91 D HN 0.011 nan 8.370 nan 0.000 0.523 92 V N 2.611 122.561 119.914 0.059 0.000 2.876 92 V HA 0.451 4.572 4.120 0.002 0.000 0.312 92 V C 0.009 176.121 176.094 0.030 0.000 1.085 92 V CA -1.024 61.300 62.300 0.040 0.000 0.945 92 V CB 2.144 33.997 31.823 0.050 0.000 1.017 92 V HN 0.337 nan 8.190 nan 0.000 0.428 93 E N 2.694 122.905 120.200 0.018 0.000 2.266 93 E HA 0.613 4.964 4.350 0.002 0.000 0.277 93 E C -2.092 174.517 176.600 0.014 0.000 1.018 93 E CA -1.061 55.348 56.400 0.014 0.000 0.840 93 E CB 0.742 30.447 29.700 0.007 0.000 1.082 93 E HN 0.606 nan 8.360 nan 0.000 0.395 326 D N 2.576 122.978 120.400 0.003 0.000 2.350 326 D HA 0.034 4.675 4.640 0.002 0.000 0.216 326 D C 1.720 178.022 176.300 0.003 0.000 0.968 326 D CA 1.364 55.367 54.000 0.005 0.000 0.894 326 D CB 0.212 41.014 40.800 0.004 0.000 0.909 326 D HN 0.445 nan 8.370 nan 0.000 0.520 327 A N 0.263 123.083 122.820 0.000 0.000 1.997 327 A HA 0.107 4.428 4.320 0.002 0.000 0.212 327 A C 2.125 179.707 177.584 -0.005 0.000 1.178 327 A CA -0.040 51.995 52.037 -0.003 0.000 0.698 327 A CB -0.370 18.628 19.000 -0.004 0.000 0.842 327 A HN 0.122 nan 8.150 nan 0.000 0.458 328 L N 0.482 121.703 121.223 -0.003 0.000 2.456 328 L HA -0.100 4.241 4.340 0.002 0.000 0.224 328 L C 2.381 179.251 176.870 -0.001 0.000 1.148 328 L CA 1.621 56.458 54.840 -0.004 0.000 0.825 328 L CB -0.075 41.983 42.059 -0.001 0.000 0.937 328 L HN 0.665 nan 8.230 nan 0.000 0.450 329 T N -6.329 108.228 114.554 0.005 0.000 2.978 329 T HA 0.026 4.377 4.350 0.002 0.000 0.248 329 T C 1.696 176.404 174.700 0.014 0.000 1.018 329 T CA -0.291 61.818 62.100 0.016 0.000 1.026 329 T CB 0.065 68.948 68.868 0.025 0.000 1.032 329 T HN 0.016 nan 8.240 nan 0.000 0.485 330 K N 1.276 121.679 120.400 0.005 0.000 2.442 330 K HA -0.039 4.282 4.320 0.002 0.000 0.198 330 K C 1.285 177.879 176.600 -0.011 0.000 1.042 330 K CA 1.064 57.353 56.287 0.003 0.000 0.958 330 K CB -0.014 32.486 32.500 0.001 0.000 0.766 330 K HN 0.415 nan 8.250 nan 0.000 0.474 331 D N 0.467 120.852 120.400 -0.025 0.000 2.137 331 D HA -0.122 4.520 4.640 0.002 0.000 0.202 331 D C 1.907 178.153 176.300 -0.090 0.000 0.970 331 D CA 0.781 54.750 54.000 -0.052 0.000 0.837 331 D CB 0.086 40.853 40.800 -0.055 0.000 0.981 331 D HN 0.157 nan 8.370 nan 0.000 0.475 332 Q N 1.098 120.853 119.800 -0.074 0.000 1.985 332 Q HA -0.157 4.184 4.340 0.002 0.000 0.207 332 Q C 2.337 178.302 176.000 -0.059 0.000 0.996 332 Q CA 1.246 56.981 55.803 -0.112 0.000 0.851 332 Q CB -0.452 28.315 28.738 0.049 0.000 0.921 332 Q HN 0.359 nan 8.270 nan 0.000 0.418 333 R N 0.437 120.979 120.500 0.071 0.000 2.094 333 R HA -0.172 4.169 4.340 0.002 0.000 0.239 333 R C 2.383 178.722 176.300 0.063 0.000 1.137 333 R CA 1.448 57.621 56.100 0.122 0.000 0.943 333 R CB -0.690 29.657 30.300 0.078 0.000 0.850 333 R HN 0.304 nan 8.270 nan 0.000 0.433 334 A N 1.641 124.462 122.820 0.001 0.000 1.892 334 A HA -0.212 4.109 4.320 0.002 0.000 0.218 334 A C 2.169 179.720 177.584 -0.055 0.000 1.188 334 A CA 1.584 53.609 52.037 -0.020 0.000 0.631 334 A CB -0.669 18.311 19.000 -0.033 0.000 0.822 334 A HN 0.289 nan 8.150 nan 0.000 0.447 335 L N -1.241 119.891 121.223 -0.153 0.000 2.043 335 L HA -0.132 4.209 4.340 0.002 0.000 0.212 335 L C 2.201 178.946 176.870 -0.208 0.000 1.075 335 L CA 2.051 56.734 54.840 -0.261 0.000 0.752 335 L CB -0.799 40.963 42.059 -0.495 0.000 0.891 335 L HN 0.423 nan 8.230 nan 0.000 0.432 336 F N -0.606 119.339 119.950 -0.008 0.000 2.293 336 F HA -0.071 4.457 4.527 0.002 0.000 0.297 336 F C 2.504 178.300 175.800 -0.006 0.000 1.089 336 F CA 0.884 58.879 58.000 -0.008 0.000 1.377 336 F CB -0.167 38.828 39.000 -0.008 0.000 1.051 336 F HN 0.033 nan 8.300 nan 0.000 0.511 337 K N 0.611 121.111 120.400 0.168 0.000 2.103 337 K HA -0.221 4.100 4.320 0.002 0.000 0.207 337 K C 1.930 178.571 176.600 0.067 0.000 1.048 337 K CA 1.547 57.891 56.287 0.096 0.000 0.930 337 K CB -0.053 32.483 32.500 0.060 0.000 0.716 337 K HN 0.314 nan 8.250 nan 0.000 0.444 338 Q N -0.225 119.603 119.800 0.046 0.000 2.079 338 Q HA -0.164 4.177 4.340 0.002 0.000 0.200 338 Q C 2.233 178.259 176.000 0.044 0.000 0.974 338 Q CA 0.974 56.794 55.803 0.028 0.000 0.840 338 Q CB -0.032 28.707 28.738 0.001 0.000 0.898 338 Q HN 0.329 nan 8.270 nan 0.000 0.430 339 Q N 0.884 120.726 119.800 0.071 0.000 2.029 339 Q HA -0.213 4.128 4.340 0.002 0.000 0.209 339 Q C 2.234 178.283 176.000 0.080 0.000 0.999 339 Q CA 1.349 57.209 55.803 0.096 0.000 0.857 339 Q CB -0.518 28.346 28.738 0.211 0.000 0.926 339 Q HN 0.431 nan 8.270 nan 0.000 0.415 340 L N 1.008 122.284 121.223 0.089 0.000 2.043 340 L HA -0.236 4.106 4.340 0.002 0.000 0.212 340 L C 2.337 179.237 176.870 0.051 0.000 1.075 340 L CA 1.416 56.292 54.840 0.061 0.000 0.752 340 L CB -0.170 41.922 42.059 0.055 0.000 0.891 340 L HN 0.225 nan 8.230 nan 0.000 0.432 341 E N 0.254 120.483 120.200 0.048 0.000 2.077 341 E HA -0.237 4.115 4.350 0.002 0.000 0.193 341 E C 2.110 178.739 176.600 0.048 0.000 0.989 341 E CA 1.977 58.402 56.400 0.041 0.000 0.800 341 E CB -0.304 29.416 29.700 0.032 0.000 0.746 341 E HN 0.774 nan 8.360 nan 0.000 0.452 342 I N -1.731 118.867 120.570 0.048 0.000 2.676 342 I HA -0.082 4.089 4.170 0.002 0.000 0.259 342 I C 2.302 178.468 176.117 0.081 0.000 1.194 342 I CA 0.713 62.045 61.300 0.054 0.000 1.473 342 I CB -0.309 37.712 38.000 0.035 0.000 1.096 342 I HN -0.085 nan 8.210 nan 0.000 0.443 343 I N 2.042 122.656 120.570 0.073 0.000 2.193 343 I HA -0.168 4.003 4.170 0.002 0.000 0.240 343 I C 3.094 179.295 176.117 0.139 0.000 1.084 343 I CA 1.242 62.602 61.300 0.099 0.000 1.365 343 I CB -0.636 37.403 38.000 0.065 0.000 1.064 343 I HN 0.278 nan 8.210 nan 0.000 0.410 344 A N 1.247 124.120 122.820 0.088 0.000 1.884 344 A HA -0.314 4.007 4.320 0.002 0.000 0.219 344 A C 2.445 180.073 177.584 0.073 0.000 1.197 344 A CA 2.367 54.445 52.037 0.069 0.000 0.637 344 A CB -0.916 18.111 19.000 0.045 0.000 0.827 344 A HN 0.380 nan 8.150 nan 0.000 0.450 345 R N -2.069 118.477 120.500 0.078 0.000 2.117 345 R HA -0.235 4.106 4.340 0.002 0.000 0.243 345 R C 2.083 178.438 176.300 0.091 0.000 1.143 345 R CA 2.191 58.333 56.100 0.070 0.000 0.968 345 R CB -0.511 29.830 30.300 0.068 0.000 0.863 345 R HN 0.681 nan 8.270 nan 0.000 0.444 346 Y N 0.653 120.957 120.300 0.007 0.000 2.263 346 Y HA -0.049 4.503 4.550 0.002 0.000 0.292 346 Y C 1.479 177.382 175.900 0.005 0.000 1.130 346 Y CA 1.328 59.432 58.100 0.006 0.000 1.179 346 Y CB 0.051 38.515 38.460 0.007 0.000 0.998 346 Y HN 0.037 nan 8.280 nan 0.000 0.532 347 L N 0.787 122.010 121.223 0.000 0.000 2.599 347 L HA -0.009 4.333 4.340 0.002 0.000 0.230 347 L C 0.331 177.149 176.870 -0.086 0.000 1.141 347 L CA 0.297 55.088 54.840 -0.081 0.000 0.877 347 L CB -0.351 41.730 42.059 0.038 0.000 1.009 347 L HN 0.017 nan 8.230 nan 0.000 0.447 348 K N 1.349 121.707 120.400 -0.070 0.000 3.257 348 K HA -0.179 4.142 4.320 0.002 0.000 0.270 348 K C -0.378 176.206 176.600 -0.025 0.000 0.984 348 K CA 1.084 57.341 56.287 -0.050 0.000 0.739 348 K CB -1.694 30.761 32.500 -0.075 0.000 1.351 348 K HN 0.549 nan 8.250 nan 0.000 0.463 349 M N -1.484 118.112 119.600 -0.006 0.000 2.213 349 M HA 0.384 4.866 4.480 0.002 0.000 0.286 349 M C -0.578 175.726 176.300 0.008 0.000 1.008 349 M CA -0.967 54.333 55.300 0.000 0.000 0.937 349 M CB 2.263 34.865 32.600 0.003 0.000 1.600 349 M HN -0.113 nan 8.290 nan 0.000 0.450 350 D N 3.519 123.923 120.400 0.006 0.000 2.358 350 D HA 0.240 4.881 4.640 0.002 0.000 0.258 350 D C 0.595 176.900 176.300 0.009 0.000 1.223 350 D CA -0.085 53.921 54.000 0.009 0.000 0.886 350 D CB 0.996 41.801 40.800 0.008 0.000 1.120 350 D HN 0.829 nan 8.370 nan 0.000 0.482 351 L N 3.301 124.530 121.223 0.010 0.000 2.109 351 L HA -0.021 4.321 4.340 0.002 0.000 0.207 351 L C 1.846 178.718 176.870 0.003 0.000 1.086 351 L CA 0.659 55.503 54.840 0.007 0.000 0.760 351 L CB -0.114 41.950 42.059 0.008 0.000 0.910 351 L HN 0.221 nan 8.230 nan 0.000 0.437 352 R N 0.160 120.663 120.500 0.005 0.000 2.335 352 R HA 0.154 4.495 4.340 0.002 0.000 0.223 352 R C 1.971 178.279 176.300 0.012 0.000 0.940 352 R CA 0.512 56.614 56.100 0.003 0.000 1.086 352 R CB -0.221 30.081 30.300 0.004 0.000 1.073 352 R HN 0.203 nan 8.270 nan 0.000 0.504 353 A N -0.039 122.790 122.820 0.014 0.000 2.070 353 A HA -0.042 4.280 4.320 0.002 0.000 0.220 353 A C 2.129 179.732 177.584 0.032 0.000 1.159 353 A CA 1.640 53.690 52.037 0.021 0.000 0.656 353 A CB -0.637 18.373 19.000 0.016 0.000 0.800 353 A HN 0.425 nan 8.150 nan 0.000 0.453 354 G N -0.140 108.677 108.800 0.027 0.000 2.395 354 G HA2 -0.158 3.804 3.960 0.002 0.000 0.214 354 G HA3 -0.158 3.804 3.960 0.002 0.000 0.214 354 G C 1.135 176.074 174.900 0.065 0.000 1.177 354 G CA 0.953 46.078 45.100 0.041 0.000 0.794 354 G HN 0.522 nan 8.290 nan 0.000 0.532 355 D N 0.837 121.250 120.400 0.022 0.000 2.178 355 D HA -0.072 4.569 4.640 0.002 0.000 0.201 355 D C 2.308 178.669 176.300 0.101 0.000 0.980 355 D CA 0.728 54.733 54.000 0.008 0.000 0.842 355 D CB -0.003 40.768 40.800 -0.048 0.000 0.948 355 D HN 0.297 nan 8.370 nan 0.000 0.472 356 K N 0.993 121.439 120.400 0.076 0.000 2.002 356 K HA -0.068 4.254 4.320 0.002 0.000 0.209 356 K C 2.271 178.931 176.600 0.100 0.000 1.048 356 K CA 1.079 57.413 56.287 0.078 0.000 0.930 356 K CB -0.155 32.373 32.500 0.046 0.000 0.714 356 K HN 0.002 nan 8.250 nan 0.000 0.438 357 A N 0.968 123.844 122.820 0.093 0.000 2.019 357 A HA -0.157 4.164 4.320 0.002 0.000 0.219 357 A C 1.928 179.579 177.584 0.111 0.000 1.164 357 A CA 1.021 53.106 52.037 0.079 0.000 0.644 357 A CB -0.624 18.413 19.000 0.061 0.000 0.805 357 A HN 0.412 nan 8.150 nan 0.000 0.449 358 F N 0.136 120.086 119.950 -0.001 0.000 2.098 358 F HA -0.115 4.413 4.527 0.002 0.000 0.294 358 F C 2.146 177.946 175.800 -0.000 0.000 1.107 358 F CA 1.858 59.858 58.000 -0.001 0.000 1.234 358 F CB -0.348 38.652 39.000 -0.001 0.000 1.002 358 F HN 0.003 nan 8.300 nan 0.000 0.472 359 V N 1.191 121.352 119.914 0.412 0.000 2.317 359 V HA -0.414 3.707 4.120 0.002 0.000 0.251 359 V C 2.768 178.862 176.094 -0.001 0.000 1.065 359 V CA 2.032 64.459 62.300 0.211 0.000 1.049 359 V CB -1.505 30.431 31.823 0.189 0.000 0.651 359 V HN 0.593 nan 8.190 nan 0.000 0.450 360 A N 0.035 122.860 122.820 0.009 0.000 1.865 360 A HA -0.259 4.062 4.320 0.002 0.000 0.217 360 A C 2.581 180.122 177.584 -0.072 0.000 1.191 360 A CA 2.694 54.719 52.037 -0.021 0.000 0.623 360 A CB -0.976 18.024 19.000 0.000 0.000 0.826 360 A HN 0.704 nan 8.150 nan 0.000 0.444 361 S N -0.993 114.637 115.700 -0.116 0.000 2.423 361 S HA -0.160 4.311 4.470 0.002 0.000 0.231 361 S C 1.812 176.295 174.600 -0.195 0.000 1.014 361 S CA 1.295 59.411 58.200 -0.140 0.000 0.965 361 S CB -0.444 62.669 63.200 -0.145 0.000 0.785 361 S HN 0.602 nan 8.310 nan 0.000 0.495 362 Q N -0.062 119.557 119.800 -0.302 0.000 2.488 362 Q HA 0.059 4.400 4.340 0.002 0.000 0.211 362 Q C 1.608 177.524 176.000 -0.141 0.000 0.967 362 Q CA 0.566 56.194 55.803 -0.292 0.000 0.926 362 Q CB 0.056 28.517 28.738 -0.463 0.000 0.992 362 Q HN 0.640 nan 8.270 nan 0.000 0.506 363 E N -0.353 119.788 120.200 -0.098 0.000 2.075 363 E HA 0.002 4.354 4.350 0.002 0.000 0.190 363 E C 1.886 178.458 176.600 -0.047 0.000 0.969 363 E CA 0.510 56.878 56.400 -0.053 0.000 0.815 363 E CB 0.179 29.860 29.700 -0.032 0.000 0.776 363 E HN 0.099 nan 8.360 nan 0.000 0.457 364 S N 1.349 117.018 115.700 -0.052 0.000 2.447 364 S HA -0.111 4.360 4.470 0.002 0.000 0.233 364 S C 1.699 176.274 174.600 -0.041 0.000 1.006 364 S CA 0.580 58.757 58.200 -0.040 0.000 0.957 364 S CB -0.047 63.130 63.200 -0.038 0.000 0.773 364 S HN 0.234 nan 8.310 nan 0.000 0.507 365 Q N 0.205 119.968 119.800 -0.061 0.000 2.482 365 Q HA 0.081 4.422 4.340 0.002 0.000 0.209 365 Q C 1.465 177.441 176.000 -0.039 0.000 0.961 365 Q CA 0.554 56.323 55.803 -0.057 0.000 0.945 365 Q CB 0.138 28.823 28.738 -0.089 0.000 1.012 365 Q HN 0.462 nan 8.270 nan 0.000 0.515 366 K N -1.242 119.139 120.400 -0.032 0.000 2.262 366 K HA 0.152 4.474 4.320 0.002 0.000 0.200 366 K C 1.875 178.470 176.600 -0.008 0.000 1.058 366 K CA 0.608 56.883 56.287 -0.018 0.000 0.974 366 K CB 0.214 32.703 32.500 -0.018 0.000 0.910 366 K HN 0.027 nan 8.250 nan 0.000 0.484 367 A N 1.852 124.667 122.820 -0.009 0.000 1.978 367 A HA -0.143 4.178 4.320 0.002 0.000 0.220 367 A C 1.987 179.576 177.584 0.009 0.000 1.170 367 A CA 1.186 53.222 52.037 -0.002 0.000 0.636 367 A CB -0.556 18.441 19.000 -0.004 0.000 0.810 367 A HN 0.125 nan 8.150 nan 0.000 0.448 368 L N -1.423 119.803 121.223 0.006 0.000 1.937 368 L HA -0.219 4.122 4.340 0.002 0.000 0.213 368 L C 2.815 179.704 176.870 0.031 0.000 1.077 368 L CA 2.134 56.985 54.840 0.018 0.000 0.758 368 L CB -0.960 41.100 42.059 0.002 0.000 0.888 368 L HN 0.484 nan 8.230 nan 0.000 0.433 369 Q N -0.140 119.671 119.800 0.018 0.000 2.325 369 Q HA -0.213 4.128 4.340 0.002 0.000 0.211 369 Q C 1.892 177.911 176.000 0.031 0.000 0.988 369 Q CA 1.776 57.594 55.803 0.025 0.000 0.887 369 Q CB -0.114 28.630 28.738 0.010 0.000 0.915 369 Q HN 0.504 nan 8.270 nan 0.000 0.440 370 A N 0.031 122.864 122.820 0.022 0.000 1.845 370 A HA -0.263 4.059 4.320 0.002 0.000 0.215 370 A C 2.045 179.644 177.584 0.025 0.000 1.195 370 A CA 1.655 53.702 52.037 0.016 0.000 0.616 370 A CB -0.818 18.185 19.000 0.005 0.000 0.832 370 A HN 0.557 nan 8.150 nan 0.000 0.443 371 Q N -0.987 118.838 119.800 0.041 0.000 2.084 371 Q HA -0.170 4.171 4.340 0.002 0.000 0.202 371 Q C 2.094 178.189 176.000 0.158 0.000 0.978 371 Q CA 1.625 57.465 55.803 0.061 0.000 0.844 371 Q CB -0.233 28.562 28.738 0.096 0.000 0.898 371 Q HN 0.560 nan 8.270 nan 0.000 0.426 372 L N 1.299 122.635 121.223 0.188 0.000 2.043 372 L HA -0.234 4.107 4.340 0.002 0.000 0.212 372 L C 1.533 178.517 176.870 0.191 0.000 1.075 372 L CA 1.986 56.966 54.840 0.233 0.000 0.752 372 L CB -0.297 41.831 42.059 0.115 0.000 0.891 372 L HN 0.186 nan 8.230 nan 0.000 0.432 373 D N -1.058 119.405 120.400 0.104 0.000 2.219 373 D HA -0.155 4.486 4.640 0.002 0.000 0.205 373 D C 2.002 178.339 176.300 0.062 0.000 0.970 373 D CA 0.941 54.985 54.000 0.073 0.000 0.851 373 D CB -0.067 40.756 40.800 0.038 0.000 0.943 373 D HN 0.282 nan 8.370 nan 0.000 0.488 374 L N -0.487 120.752 121.223 0.028 0.000 1.961 374 L HA -0.101 4.240 4.340 0.002 0.000 0.210 374 L C 1.874 178.738 176.870 -0.010 0.000 1.072 374 L CA 1.734 56.536 54.840 -0.063 0.000 0.749 374 L CB -0.949 40.985 42.059 -0.208 0.000 0.889 374 L HN 0.089 nan 8.230 nan 0.000 0.432 375 W N -0.150 121.174 121.300 0.039 0.000 2.304 375 W HA -0.290 4.371 4.660 0.002 0.000 0.315 375 W C 2.711 179.281 176.519 0.086 0.000 1.233 375 W CA 1.357 58.727 57.345 0.042 0.000 1.261 375 W CB -0.659 28.770 29.460 -0.052 0.000 1.150 375 W HN 0.236 nan 8.180 nan 0.000 0.494 376 Q N -0.244 119.726 119.800 0.283 0.000 2.181 376 Q HA -0.179 4.162 4.340 0.002 0.000 0.205 376 Q C 2.259 178.345 176.000 0.144 0.000 0.980 376 Q CA 1.966 57.878 55.803 0.183 0.000 0.862 376 Q CB -0.931 27.880 28.738 0.122 0.000 0.905 376 Q HN 0.427 nan 8.270 nan 0.000 0.429 377 A N 0.541 123.427 122.820 0.110 0.000 1.903 377 A HA -0.075 4.247 4.320 0.002 0.000 0.213 377 A C 1.876 179.476 177.584 0.026 0.000 1.185 377 A CA 0.692 52.758 52.037 0.049 0.000 0.628 377 A CB -0.092 18.916 19.000 0.014 0.000 0.830 377 A HN 0.140 nan 8.150 nan 0.000 0.446 378 E N -0.464 119.763 120.200 0.044 0.000 2.338 378 E HA -0.147 4.205 4.350 0.002 0.000 0.197 378 E C 1.042 177.469 176.600 -0.289 0.000 1.007 378 E CA 1.254 57.596 56.400 -0.096 0.000 0.849 378 E CB -0.126 29.518 29.700 -0.092 0.000 0.774 378 E HN 0.851 nan 8.360 nan 0.000 0.506 379 H N -1.854 117.173 119.070 -0.072 0.000 3.266 379 H HA 0.343 4.900 4.556 0.002 0.000 0.246 379 H C 0.781 176.074 175.328 -0.059 0.000 0.998 379 H CA 0.538 56.476 56.048 -0.183 0.000 1.152 379 H CB 1.085 30.708 29.762 -0.232 0.000 1.466 379 H HN 0.194 nan 8.280 nan 0.000 0.481 380 G N 0.732 109.617 108.800 0.142 0.000 2.746 380 G HA2 -0.241 3.720 3.960 0.002 0.000 0.685 380 G HA3 -0.241 3.720 3.960 0.002 0.000 0.685 380 G C -0.098 174.894 174.900 0.153 0.000 1.350 380 G CA 0.003 45.172 45.100 0.116 0.000 0.837 380 G HN 0.219 nan 8.290 nan 0.000 0.564 381 D N -0.253 120.211 120.400 0.107 0.000 2.097 381 D HA -0.058 4.584 4.640 0.002 0.000 0.197 381 D C 2.717 179.076 176.300 0.098 0.000 0.984 381 D CA 1.589 55.644 54.000 0.091 0.000 0.826 381 D CB -0.054 40.780 40.800 0.057 0.000 0.973 381 D HN 0.512 nan 8.370 nan 0.000 0.460 382 I N -0.092 120.539 120.570 0.101 0.000 2.286 382 I HA -0.269 3.902 4.170 0.002 0.000 0.248 382 I C 2.405 178.587 176.117 0.110 0.000 1.115 382 I CA 0.932 62.283 61.300 0.085 0.000 1.392 382 I CB -0.407 37.641 38.000 0.079 0.000 1.065 382 I HN -0.010 nan 8.210 nan 0.000 0.418 383 Y N 1.853 122.179 120.300 0.044 0.000 2.200 383 Y HA -0.202 4.349 4.550 0.002 0.000 0.290 383 Y C 2.610 178.525 175.900 0.025 0.000 1.137 383 Y CA 1.350 59.482 58.100 0.054 0.000 1.163 383 Y CB -0.201 38.328 38.460 0.115 0.000 0.988 383 Y HN 0.094 nan 8.280 nan 0.000 0.518 384 A N 0.836 123.814 122.820 0.262 0.000 1.883 384 A HA -0.229 4.092 4.320 0.002 0.000 0.217 384 A C 2.422 179.994 177.584 -0.021 0.000 1.186 384 A CA 2.244 54.353 52.037 0.120 0.000 0.624 384 A CB -1.629 17.439 19.000 0.113 0.000 0.822 384 A HN 0.636 nan 8.150 nan 0.000 0.444 385 A N -0.677 122.135 122.820 -0.012 0.000 1.883 385 A HA 0.077 4.398 4.320 0.002 0.000 0.217 385 A C 2.398 179.921 177.584 -0.101 0.000 1.186 385 A CA 2.014 54.022 52.037 -0.048 0.000 0.624 385 A CB -1.419 17.567 19.000 -0.023 0.000 0.822 385 A HN 0.884 nan 8.150 nan 0.000 0.444 386 G N 0.088 108.809 108.800 -0.132 0.000 2.598 386 G HA2 0.054 4.015 3.960 0.002 0.000 0.215 386 G HA3 0.054 4.015 3.960 0.002 0.000 0.215 386 G C 1.177 175.913 174.900 -0.273 0.000 1.131 386 G CA 0.946 45.935 45.100 -0.186 0.000 0.785 386 G HN 0.803 nan 8.290 nan 0.000 0.539 387 I N -2.111 118.265 120.570 -0.324 0.000 3.904 387 I HA 0.354 4.526 4.170 0.002 0.000 0.333 387 I C -0.168 175.812 176.117 -0.228 0.000 1.361 387 I CA -0.341 60.764 61.300 -0.324 0.000 1.116 387 I CB 0.278 38.045 38.000 -0.389 0.000 1.028 387 I HN -0.107 nan 8.210 nan 0.000 0.398 388 E N 3.929 124.016 120.200 -0.188 0.000 2.180 388 E HA 0.278 4.629 4.350 0.002 0.000 0.283 388 E C -2.176 174.335 176.600 -0.148 0.000 1.061 388 E CA -1.950 54.358 56.400 -0.152 0.000 0.861 388 E CB 0.346 29.974 29.700 -0.122 0.000 1.056 388 E HN 0.124 nan 8.360 nan 0.000 0.407 389 P HA -0.108 nan 4.420 nan 0.000 0.266 389 P C -0.260 176.986 177.300 -0.090 0.000 1.186 389 P CA 0.471 63.504 63.100 -0.111 0.000 0.767 389 P CB 0.678 32.329 31.700 -0.081 0.000 0.820 390 A N 2.220 125.005 122.820 -0.058 0.000 2.733 390 A HA 0.181 4.502 4.320 0.002 0.000 0.232 390 A C -0.106 177.485 177.584 0.011 0.000 1.251 390 A CA -0.103 51.906 52.037 -0.047 0.000 1.015 390 A CB -0.399 18.570 19.000 -0.052 0.000 1.291 390 A HN 0.462 nan 8.150 nan 0.000 0.595 391 F N 1.684 121.597 119.950 -0.062 0.000 2.438 391 F HA 0.576 5.104 4.527 0.002 0.000 0.356 391 F C -0.612 175.126 175.800 -0.103 0.000 1.099 391 F CA -0.550 57.435 58.000 -0.025 0.000 1.185 391 F CB 0.737 39.786 39.000 0.082 0.000 1.115 391 F HN 0.075 nan 8.300 nan 0.000 0.526 392 D N 8.522 128.297 120.400 -1.042 0.000 2.478 392 D HA 0.291 4.932 4.640 0.002 0.000 0.240 392 D C -2.062 173.638 176.300 -1.000 0.000 1.364 392 D CA -2.086 51.375 54.000 -0.898 0.000 0.987 392 D CB 1.948 42.453 40.800 -0.491 0.000 1.328 392 D HN 0.204 nan 8.370 nan 0.000 0.584 393 P HA -0.137 nan 4.420 nan 0.000 0.219 393 P C 1.347 178.344 177.300 -0.504 0.000 1.144 393 P CA 0.833 63.410 63.100 -0.872 0.000 0.806 393 P CB 0.420 31.800 31.700 -0.533 0.000 0.771 394 L N -1.246 119.737 121.223 -0.399 0.000 2.341 394 L HA 0.051 4.392 4.340 0.002 0.000 0.214 394 L C 2.138 178.854 176.870 -0.255 0.000 1.115 394 L CA 1.028 55.710 54.840 -0.263 0.000 0.820 394 L CB -0.678 41.251 42.059 -0.216 0.000 0.944 394 L HN -0.128 nan 8.230 nan 0.000 0.452 395 K N 0.752 120.948 120.400 -0.340 0.000 2.404 395 K HA 0.236 4.557 4.320 0.002 0.000 0.194 395 K C 0.755 177.293 176.600 -0.103 0.000 1.023 395 K CA -0.180 55.916 56.287 -0.318 0.000 1.094 395 K CB 0.316 32.441 32.500 -0.624 0.000 0.841 395 K HN 0.172 nan 8.250 nan 0.000 0.523 396 A N 1.549 124.264 122.820 -0.175 0.000 2.488 396 A HA 0.239 4.560 4.320 0.002 0.000 0.249 396 A C -0.282 177.258 177.584 -0.074 0.000 1.083 396 A CA 0.006 51.983 52.037 -0.100 0.000 0.768 396 A CB 0.242 19.132 19.000 -0.183 0.000 1.017 396 A HN 0.086 nan 8.150 nan 0.000 0.496 397 R N 1.472 121.907 120.500 -0.109 0.000 2.343 397 R HA 0.526 4.867 4.340 0.002 0.000 0.320 397 R C -1.125 174.842 176.300 -0.556 0.000 0.956 397 R CA -0.609 55.300 56.100 -0.318 0.000 0.836 397 R CB 1.483 31.581 30.300 -0.336 0.000 1.151 397 R HN 0.410 nan 8.270 nan 0.000 0.450 398 V N 5.603 125.205 119.914 -0.519 0.000 2.370 398 V HA 0.364 4.485 4.120 0.002 0.000 0.279 398 V C -0.961 174.788 176.094 -0.575 0.000 1.029 398 V CA -0.622 61.403 62.300 -0.459 0.000 0.870 398 V CB 0.853 32.555 31.823 -0.202 0.000 0.984 398 V HN 0.564 nan 8.190 nan 0.000 0.451 399 Y N 3.532 123.695 120.300 -0.229 0.000 2.331 399 Y HA 0.491 5.042 4.550 0.002 0.000 0.338 399 Y C 0.556 176.026 175.900 -0.716 0.000 0.976 399 Y CA -1.379 56.473 58.100 -0.413 0.000 1.137 399 Y CB 1.305 39.453 38.460 -0.519 0.000 1.172 399 Y HN 0.842 nan 8.280 nan 0.000 0.478 400 D N -1.330 118.936 120.400 -0.224 0.000 2.480 400 D HA -0.007 4.634 4.640 0.002 0.000 0.276 400 D C 0.228 176.667 176.300 0.232 0.000 1.294 400 D CA -0.049 53.946 54.000 -0.010 0.000 0.829 400 D CB -0.016 40.818 40.800 0.056 0.000 1.242 400 D HN 0.223 nan 8.370 nan 0.000 0.513 401 S N 0.624 116.427 115.700 0.171 0.000 4.069 401 S HA 0.154 4.625 4.470 0.002 0.000 0.192 401 S C 1.543 175.894 174.600 -0.415 0.000 1.441 401 S CA 0.347 58.389 58.200 -0.264 0.000 0.994 401 S CB -0.764 62.091 63.200 -0.575 0.000 1.456 401 S HN 0.374 nan 8.310 nan 0.000 0.458 402 S N 3.358 119.071 115.700 0.022 0.000 2.368 402 S HA -0.124 4.347 4.470 0.002 0.000 0.224 402 S C 2.018 176.529 174.600 -0.148 0.000 1.029 402 S CA 0.684 58.904 58.200 0.033 0.000 0.988 402 S CB -0.874 62.384 63.200 0.097 0.000 0.838 402 S HN 0.955 nan 8.310 nan 0.000 0.462 403 W N 2.326 123.595 121.300 -0.050 0.000 2.325 403 W HA -0.155 4.507 4.660 0.002 0.000 0.299 403 W C 1.936 178.364 176.519 -0.152 0.000 1.215 403 W CA 1.105 58.402 57.345 -0.080 0.000 1.244 403 W CB -1.199 28.215 29.460 -0.075 0.000 1.140 403 W HN 0.452 nan 8.180 nan 0.000 0.523 404 N N 0.491 118.610 118.700 -0.967 0.000 2.197 404 N HA -0.129 4.612 4.740 0.002 0.000 0.184 404 N C 1.722 176.924 175.510 -0.513 0.000 1.030 404 N CA 1.429 53.915 53.050 -0.939 0.000 0.851 404 N CB -0.863 36.528 38.487 -1.826 0.000 1.003 404 N HN 0.232 nan 8.380 nan 0.000 0.430 405 W N 1.810 122.952 121.300 -0.264 0.000 2.387 405 W HA -0.077 4.584 4.660 0.002 0.000 0.272 405 W C 2.475 178.942 176.519 -0.088 0.000 1.224 405 W CA 0.253 57.505 57.345 -0.154 0.000 1.210 405 W CB -0.146 29.223 29.460 -0.151 0.000 1.125 405 W HN 0.172 nan 8.180 nan 0.000 0.572 406 A N 1.750 124.624 122.820 0.090 0.000 1.824 406 A HA -0.235 4.086 4.320 0.002 0.000 0.215 406 A C 1.904 179.561 177.584 0.123 0.000 1.209 406 A CA 1.999 54.094 52.037 0.097 0.000 0.614 406 A CB -1.050 18.005 19.000 0.091 0.000 0.852 406 A HN 0.303 nan 8.150 nan 0.000 0.447 407 R N -0.308 120.238 120.500 0.076 0.000 2.185 407 R HA -0.218 4.123 4.340 0.002 0.000 0.247 407 R C 2.423 178.830 176.300 0.179 0.000 1.159 407 R CA 1.693 57.841 56.100 0.079 0.000 0.988 407 R CB -0.395 29.609 30.300 -0.493 0.000 0.871 407 R HN 0.843 nan 8.270 nan 0.000 0.458 408 Q N 1.192 121.059 119.800 0.112 0.000 1.994 408 Q HA -0.161 4.181 4.340 0.002 0.000 0.198 408 Q C 1.056 177.152 176.000 0.161 0.000 0.976 408 Q CA 1.863 57.758 55.803 0.154 0.000 0.828 408 Q CB 0.053 28.917 28.738 0.209 0.000 0.894 408 Q HN 0.194 nan 8.270 nan 0.000 0.432 409 D N 0.435 120.920 120.400 0.141 0.000 2.221 409 D HA -0.122 4.519 4.640 0.002 0.000 0.204 409 D C 1.524 177.893 176.300 0.115 0.000 0.982 409 D CA 1.209 55.269 54.000 0.100 0.000 0.857 409 D CB -0.082 40.760 40.800 0.069 0.000 0.934 409 D HN 0.446 nan 8.370 nan 0.000 0.475 410 A N 0.519 123.432 122.820 0.156 0.000 1.821 410 A HA -0.097 4.224 4.320 0.002 0.000 0.215 410 A C 2.126 179.799 177.584 0.149 0.000 1.214 410 A CA 0.965 53.098 52.037 0.161 0.000 0.608 410 A CB -1.123 18.017 19.000 0.233 0.000 0.862 410 A HN 0.289 nan 8.150 nan 0.000 0.448 411 L N -0.208 121.127 121.223 0.187 0.000 2.129 411 L HA -0.187 4.154 4.340 0.002 0.000 0.212 411 L C 2.652 179.665 176.870 0.239 0.000 1.087 411 L CA 2.020 56.918 54.840 0.096 0.000 0.757 411 L CB -0.190 41.969 42.059 0.166 0.000 0.896 411 L HN 0.473 nan 8.230 nan 0.000 0.434 412 S N -0.584 115.239 115.700 0.206 0.000 2.355 412 S HA -0.275 4.196 4.470 0.002 0.000 0.222 412 S C 2.067 176.789 174.600 0.202 0.000 1.031 412 S CA 1.671 59.985 58.200 0.191 0.000 0.993 412 S CB -0.278 62.986 63.200 0.105 0.000 0.859 412 S HN 0.581 nan 8.310 nan 0.000 0.453 413 M N -0.177 119.514 119.600 0.152 0.000 2.117 413 M HA -0.122 4.359 4.480 0.002 0.000 0.262 413 M C 1.893 178.276 176.300 0.137 0.000 1.065 413 M CA 1.925 57.294 55.300 0.115 0.000 1.114 413 M CB -0.493 32.151 32.600 0.073 0.000 1.361 413 M HN 0.616 nan 8.290 nan 0.000 0.408 414 Y N 0.195 120.488 120.300 -0.013 0.000 2.040 414 Y HA -0.390 4.161 4.550 0.002 0.000 0.275 414 Y C 1.760 177.585 175.900 -0.124 0.000 1.171 414 Y CA 2.451 60.476 58.100 -0.125 0.000 1.123 414 Y CB -0.683 37.630 38.460 -0.244 0.000 0.963 414 Y HN 0.269 nan 8.280 nan 0.000 0.493 415 Y N 0.530 121.113 120.300 0.472 0.000 2.293 415 Y HA -0.236 4.315 4.550 0.002 0.000 0.291 415 Y C 2.358 178.467 175.900 0.348 0.000 1.137 415 Y CA 1.334 59.702 58.100 0.448 0.000 1.202 415 Y CB -0.533 38.173 38.460 0.409 0.000 0.990 415 Y HN 0.217 nan 8.280 nan 0.000 0.537 416 D N 0.331 120.924 120.400 0.322 0.000 2.149 416 D HA -0.215 4.426 4.640 0.002 0.000 0.194 416 D C 2.124 178.503 176.300 0.131 0.000 1.001 416 D CA 1.493 55.605 54.000 0.187 0.000 0.849 416 D CB -0.328 40.531 40.800 0.099 0.000 0.939 416 D HN 0.342 nan 8.370 nan 0.000 0.449 417 I N 0.613 121.200 120.570 0.028 0.000 2.233 417 I HA -0.184 3.987 4.170 0.002 0.000 0.243 417 I C 2.239 178.271 176.117 -0.141 0.000 1.093 417 I CA 0.556 61.809 61.300 -0.077 0.000 1.380 417 I CB -0.008 37.888 38.000 -0.172 0.000 1.067 417 I HN -0.029 nan 8.210 nan 0.000 0.413 418 I N -0.177 120.245 120.570 -0.246 0.000 2.700 418 I HA -0.257 3.914 4.170 0.002 0.000 0.261 418 I C 1.473 177.284 176.117 -0.510 0.000 1.219 418 I CA 1.599 62.578 61.300 -0.535 0.000 1.463 418 I CB -0.299 37.218 38.000 -0.805 0.000 1.092 418 I HN 0.194 nan 8.210 nan 0.000 0.452 419 F N -0.117 119.788 119.950 -0.074 0.000 2.706 419 F HA 0.331 4.859 4.527 0.002 0.000 0.308 419 F C 1.763 177.550 175.800 -0.021 0.000 1.095 419 F CA 0.480 58.469 58.000 -0.017 0.000 1.244 419 F CB 0.454 39.469 39.000 0.024 0.000 1.063 419 F HN 0.096 nan 8.300 nan 0.000 0.582 420 G N 0.781 109.645 108.800 0.105 0.000 2.141 420 G HA2 -0.336 3.625 3.960 0.002 0.000 0.242 420 G HA3 -0.336 3.625 3.960 0.002 0.000 0.242 420 G C 1.276 176.208 174.900 0.054 0.000 0.982 420 G CA 0.429 45.558 45.100 0.049 0.000 0.662 420 G HN 0.336 nan 8.290 nan 0.000 0.527 421 R N -0.780 119.767 120.500 0.079 0.000 2.105 421 R HA 0.105 4.446 4.340 0.002 0.000 0.239 421 R C 1.151 177.463 176.300 0.020 0.000 1.135 421 R CA 0.971 57.095 56.100 0.040 0.000 0.967 421 R CB -0.056 30.264 30.300 0.034 0.000 0.861 421 R HN 0.431 nan 8.270 nan 0.000 0.442 422 L N 1.622 122.857 121.223 0.020 0.000 2.298 422 L HA 0.351 4.692 4.340 0.002 0.000 0.284 422 L C -0.281 176.582 176.870 -0.011 0.000 1.013 422 L CA -0.486 54.354 54.840 0.000 0.000 0.824 422 L CB 1.625 43.682 42.059 -0.003 0.000 1.221 422 L HN 0.077 nan 8.230 nan 0.000 0.418 423 R N 1.778 122.270 120.500 -0.013 0.000 2.604 423 R HA 0.305 4.646 4.340 0.002 0.000 0.287 423 R C 1.032 177.319 176.300 -0.022 0.000 0.970 423 R CA -0.739 55.350 56.100 -0.019 0.000 0.946 423 R CB 2.038 32.330 30.300 -0.014 0.000 1.127 423 R HN 0.415 nan 8.270 nan 0.000 0.473 424 V N 1.336 121.234 119.914 -0.026 0.000 2.453 424 V HA -0.246 3.875 4.120 0.002 0.000 0.252 424 V C 2.158 178.239 176.094 -0.021 0.000 1.068 424 V CA 1.528 63.812 62.300 -0.027 0.000 1.070 424 V CB -0.961 30.845 31.823 -0.028 0.000 0.664 424 V HN 0.608 nan 8.190 nan 0.000 0.461 425 V N -0.075 119.828 119.914 -0.019 0.000 2.221 425 V HA -0.263 3.858 4.120 0.002 0.000 0.244 425 V C 0.876 176.960 176.094 -0.017 0.000 1.043 425 V CA 1.481 63.771 62.300 -0.017 0.000 0.996 425 V CB -1.036 30.778 31.823 -0.016 0.000 0.636 425 V HN 0.541 nan 8.190 nan 0.000 0.454 426 D N 0.796 121.186 120.400 -0.017 0.000 4.262 426 D HA -0.139 4.502 4.640 0.002 0.000 0.186 426 D C 1.374 177.664 176.300 -0.018 0.000 1.090 426 D CA 0.424 54.413 54.000 -0.017 0.000 0.711 426 D CB 0.154 40.944 40.800 -0.017 0.000 1.194 426 D HN 0.182 nan 8.370 nan 0.000 0.627 427 R N 2.672 123.161 120.500 -0.017 0.000 2.139 427 R HA -0.173 4.168 4.340 0.002 0.000 0.243 427 R C 1.703 177.990 176.300 -0.022 0.000 1.145 427 R CA 0.850 56.939 56.100 -0.018 0.000 0.976 427 R CB -0.101 30.191 30.300 -0.014 0.000 0.866 427 R HN 0.550 nan 8.270 nan 0.000 0.449 428 E N 0.699 120.886 120.200 -0.022 0.000 2.082 428 E HA -0.237 4.114 4.350 0.002 0.000 0.215 428 E C 2.083 178.669 176.600 -0.022 0.000 1.048 428 E CA 1.767 58.153 56.400 -0.024 0.000 0.869 428 E CB -0.450 29.237 29.700 -0.022 0.000 0.773 428 E HN 0.378 nan 8.360 nan 0.000 0.466 429 I N 0.637 121.196 120.570 -0.019 0.000 2.145 429 I HA -0.322 3.849 4.170 0.002 0.000 0.244 429 I C 2.559 178.665 176.117 -0.018 0.000 1.075 429 I CA 1.090 62.380 61.300 -0.017 0.000 1.332 429 I CB -0.922 37.066 38.000 -0.019 0.000 1.033 429 I HN -0.048 nan 8.210 nan 0.000 0.410 430 V N 0.888 120.789 119.914 -0.022 0.000 2.220 430 V HA -0.346 3.775 4.120 0.002 0.000 0.250 430 V C 2.645 178.722 176.094 -0.028 0.000 1.056 430 V CA 2.543 64.828 62.300 -0.025 0.000 1.016 430 V CB -0.946 30.859 31.823 -0.029 0.000 0.639 430 V HN 0.418 nan 8.190 nan 0.000 0.446 431 S N -0.705 114.975 115.700 -0.034 0.000 2.380 431 S HA -0.371 4.100 4.470 0.002 0.000 0.229 431 S C 1.968 176.552 174.600 -0.027 0.000 1.050 431 S CA 2.215 60.392 58.200 -0.037 0.000 1.100 431 S CB -0.551 62.624 63.200 -0.040 0.000 0.984 431 S HN 0.663 nan 8.310 nan 0.000 0.434 432 Q N -0.194 119.593 119.800 -0.022 0.000 2.096 432 Q HA -0.200 4.141 4.340 0.002 0.000 0.208 432 Q C 2.589 178.587 176.000 -0.004 0.000 0.993 432 Q CA 1.753 57.549 55.803 -0.013 0.000 0.862 432 Q CB -0.665 28.069 28.738 -0.006 0.000 0.915 432 Q HN 0.585 nan 8.270 nan 0.000 0.416 433 C N 0.415 119.712 119.300 -0.004 0.000 2.413 433 C HA -0.138 4.324 4.460 0.002 0.000 0.277 433 C C 2.607 177.598 174.990 0.001 0.000 1.265 433 C CA 0.525 59.545 59.018 0.003 0.000 1.752 433 C CB -1.027 26.711 27.740 -0.003 0.000 1.998 433 C HN 0.456 nan 8.230 nan 0.000 0.489 434 I N 0.216 120.780 120.570 -0.009 0.000 2.315 434 I HA -0.211 3.961 4.170 0.002 0.000 0.248 434 I C 2.543 178.658 176.117 -0.003 0.000 1.117 434 I CA 1.423 62.717 61.300 -0.011 0.000 1.404 434 I CB -0.709 37.277 38.000 -0.025 0.000 1.071 434 I HN 0.306 nan 8.210 nan 0.000 0.419 435 Q N 0.995 120.791 119.800 -0.005 0.000 2.123 435 Q HA -0.042 4.299 4.340 0.002 0.000 0.199 435 Q C 2.249 178.253 176.000 0.007 0.000 0.966 435 Q CA 1.306 57.105 55.803 -0.007 0.000 0.845 435 Q CB -0.099 28.625 28.738 -0.024 0.000 0.907 435 Q HN 0.515 nan 8.270 nan 0.000 0.439 436 I N -0.239 120.343 120.570 0.019 0.000 2.286 436 I HA -0.293 3.879 4.170 0.002 0.000 0.248 436 I C 2.049 178.190 176.117 0.040 0.000 1.115 436 I CA 1.057 62.381 61.300 0.040 0.000 1.392 436 I CB -0.306 37.725 38.000 0.051 0.000 1.065 436 I HN 0.301 nan 8.210 nan 0.000 0.418 437 M N 0.072 119.688 119.600 0.027 0.000 2.175 437 M HA -0.161 4.320 4.480 0.002 0.000 0.264 437 M C 1.939 178.254 176.300 0.024 0.000 1.063 437 M CA 1.472 56.787 55.300 0.025 0.000 1.119 437 M CB -0.669 31.939 32.600 0.013 0.000 1.377 437 M HN 0.277 nan 8.290 nan 0.000 0.415 438 N N 1.231 119.942 118.700 0.019 0.000 2.166 438 N HA -0.080 4.661 4.740 0.002 0.000 0.186 438 N C 0.291 175.817 175.510 0.027 0.000 1.019 438 N CA 0.988 54.049 53.050 0.018 0.000 0.856 438 N CB -0.108 38.386 38.487 0.010 0.000 0.993 438 N HN 0.406 nan 8.380 nan 0.000 0.426 439 R N 0.508 121.028 120.500 0.032 0.000 2.825 439 R HA 0.332 4.673 4.340 0.002 0.000 0.261 439 R C -0.566 175.773 176.300 0.065 0.000 1.341 439 R CA -0.099 56.032 56.100 0.051 0.000 1.353 439 R CB 0.442 30.774 30.300 0.053 0.000 1.191 439 R HN -0.176 nan 8.270 nan 0.000 0.590 440 S N 2.795 118.529 115.700 0.058 0.000 2.461 440 S HA 0.285 4.756 4.470 0.002 0.000 0.322 440 S C -0.374 174.261 174.600 0.058 0.000 1.063 440 S CA -0.880 57.355 58.200 0.059 0.000 1.120 440 S CB 0.307 63.534 63.200 0.045 0.000 0.968 440 S HN 0.456 nan 8.310 nan 0.000 0.467 441 N N 3.851 122.592 118.700 0.069 0.000 2.485 441 N HA 0.391 5.132 4.740 0.002 0.000 0.280 441 N C -2.161 173.377 175.510 0.046 0.000 1.205 441 N CA -1.858 51.224 53.050 0.054 0.000 0.959 441 N CB 0.178 38.700 38.487 0.058 0.000 1.206 441 N HN 0.131 nan 8.380 nan 0.000 0.545 442 P HA -0.014 nan 4.420 nan 0.000 0.215 442 P C 1.290 178.611 177.300 0.036 0.000 1.157 442 P CA 1.050 64.165 63.100 0.026 0.000 0.863 442 P CB 0.176 31.880 31.700 0.007 0.000 0.787 443 L N -1.268 119.967 121.223 0.020 0.000 2.191 443 L HA -0.120 4.221 4.340 0.002 0.000 0.212 443 L C 2.569 179.489 176.870 0.084 0.000 1.103 443 L CA 1.324 56.176 54.840 0.019 0.000 0.769 443 L CB -1.515 40.524 42.059 -0.034 0.000 0.908 443 L HN -0.057 nan 8.230 nan 0.000 0.438 444 L N -0.490 120.795 121.223 0.104 0.000 2.017 444 L HA -0.212 4.130 4.340 0.002 0.000 0.208 444 L C 2.512 179.500 176.870 0.195 0.000 1.073 444 L CA 1.645 56.587 54.840 0.170 0.000 0.745 444 L CB -0.138 42.007 42.059 0.143 0.000 0.894 444 L HN 0.288 nan 8.230 nan 0.000 0.432 445 L N -0.249 121.051 121.223 0.128 0.000 2.012 445 L HA -0.279 4.062 4.340 0.002 0.000 0.210 445 L C 2.566 179.511 176.870 0.125 0.000 1.073 445 L CA 1.576 56.482 54.840 0.110 0.000 0.748 445 L CB -0.655 41.448 42.059 0.074 0.000 0.891 445 L HN 0.323 nan 8.230 nan 0.000 0.431 446 E N -0.395 119.878 120.200 0.120 0.000 2.070 446 E HA -0.287 4.064 4.350 0.002 0.000 0.197 446 E C 2.057 178.774 176.600 0.194 0.000 1.004 446 E CA 1.816 58.290 56.400 0.123 0.000 0.805 446 E CB -0.274 29.470 29.700 0.073 0.000 0.744 446 E HN 0.391 nan 8.360 nan 0.000 0.451 447 F N 1.370 121.370 119.950 0.083 0.000 2.113 447 F HA -0.180 4.348 4.527 0.002 0.000 0.297 447 F C 2.270 178.216 175.800 0.243 0.000 1.103 447 F CA 1.257 59.349 58.000 0.153 0.000 1.248 447 F CB -0.191 38.867 39.000 0.096 0.000 0.999 447 F HN -0.086 nan 8.300 nan 0.000 0.475 448 M N -0.047 119.623 119.600 0.116 0.000 2.151 448 M HA -0.320 4.162 4.480 0.002 0.000 0.256 448 M C 2.280 178.609 176.300 0.048 0.000 1.072 448 M CA 2.205 57.524 55.300 0.032 0.000 1.090 448 M CB -1.356 31.300 32.600 0.094 0.000 1.294 448 M HN 0.269 nan 8.290 nan 0.000 0.415 449 Q N -0.224 119.631 119.800 0.092 0.000 1.948 449 Q HA -0.213 4.128 4.340 0.002 0.000 0.205 449 Q C 1.941 178.007 176.000 0.110 0.000 0.992 449 Q CA 2.276 58.135 55.803 0.093 0.000 0.849 449 Q CB -1.003 27.792 28.738 0.095 0.000 0.918 449 Q HN 0.498 nan 8.270 nan 0.000 0.421 450 Y N 0.225 120.525 120.300 -0.001 0.000 2.062 450 Y HA -0.399 4.152 4.550 0.002 0.000 0.273 450 Y C 2.276 178.109 175.900 -0.110 0.000 1.206 450 Y CA 2.548 60.609 58.100 -0.065 0.000 1.125 450 Y CB -0.440 37.894 38.460 -0.211 0.000 0.951 450 Y HN 0.418 nan 8.280 nan 0.000 0.501 451 H N -0.844 118.274 119.070 0.080 0.000 2.387 451 H HA -0.176 4.382 4.556 0.002 0.000 0.299 451 H C 2.328 177.681 175.328 0.043 0.000 1.090 451 H CA 1.623 57.637 56.048 -0.057 0.000 1.332 451 H CB 0.009 29.554 29.762 -0.362 0.000 1.386 451 H HN 0.363 nan 8.280 nan 0.000 0.516 452 I N 1.348 122.020 120.570 0.169 0.000 2.133 452 I HA -0.204 3.967 4.170 0.002 0.000 0.238 452 I C 1.821 177.978 176.117 0.068 0.000 1.074 452 I CA 1.151 62.538 61.300 0.145 0.000 1.342 452 I CB -0.897 37.153 38.000 0.085 0.000 1.053 452 I HN 0.103 nan 8.210 nan 0.000 0.404 453 D N -0.079 120.334 120.400 0.023 0.000 2.203 453 D HA -0.219 4.422 4.640 0.002 0.000 0.199 453 D C 1.797 178.009 176.300 -0.147 0.000 0.997 453 D CA 1.413 55.386 54.000 -0.046 0.000 0.863 453 D CB -0.295 40.489 40.800 -0.025 0.000 0.928 453 D HN 0.538 nan 8.370 nan 0.000 0.458 454 H N -1.481 117.441 119.070 -0.247 0.000 2.594 454 H HA 0.192 4.749 4.556 0.002 0.000 0.279 454 H C 0.285 175.581 175.328 -0.053 0.000 1.042 454 H CA -0.563 55.355 56.048 -0.217 0.000 1.177 454 H CB 0.151 29.665 29.762 -0.414 0.000 1.524 454 H HN 0.075 nan 8.280 nan 0.000 0.537 455 C N 4.372 123.747 119.300 0.125 0.000 2.592 455 C HA 0.033 4.494 4.460 0.002 0.000 0.408 455 C C -1.698 173.354 174.990 0.103 0.000 1.436 455 C CA -1.027 58.108 59.018 0.196 0.000 1.595 455 C CB -0.351 27.482 27.740 0.154 0.000 2.487 455 C HN 0.255 nan 8.230 nan 0.000 0.610 456 P HA 0.106 nan 4.420 nan 0.000 0.241 456 P C 1.058 178.250 177.300 -0.180 0.000 1.760 456 P CA 0.278 63.318 63.100 -0.100 0.000 1.081 456 P CB -0.104 31.458 31.700 -0.231 0.000 1.975 457 T N -1.384 113.134 114.554 -0.059 0.000 2.849 457 T HA -0.221 4.130 4.350 0.002 0.000 0.270 457 T C 1.374 176.022 174.700 -0.086 0.000 1.066 457 T CA 1.018 63.100 62.100 -0.028 0.000 1.130 457 T CB -0.513 68.342 68.868 -0.022 0.000 0.864 457 T HN 0.337 nan 8.240 nan 0.000 0.481 458 E N 1.776 121.900 120.200 -0.127 0.000 2.515 458 E HA -0.096 4.255 4.350 0.002 0.000 0.201 458 E C 1.798 178.300 176.600 -0.164 0.000 1.071 458 E CA 0.378 56.705 56.400 -0.122 0.000 0.880 458 E CB -0.327 29.307 29.700 -0.110 0.000 0.828 458 E HN 0.567 nan 8.360 nan 0.000 0.540 459 R N 0.304 120.638 120.500 -0.277 0.000 2.156 459 R HA 0.236 4.577 4.340 0.002 0.000 0.207 459 R C 0.975 177.188 176.300 -0.146 0.000 1.040 459 R CA 0.943 56.841 56.100 -0.337 0.000 1.013 459 R CB 0.543 30.360 30.300 -0.806 0.000 0.931 459 R HN 0.227 nan 8.270 nan 0.000 0.465 460 G N -0.613 108.170 108.800 -0.028 0.000 2.451 460 G HA2 0.074 4.035 3.960 0.002 0.000 0.292 460 G HA3 0.074 4.035 3.960 0.002 0.000 0.292 460 G C -0.487 174.464 174.900 0.086 0.000 1.427 460 G CA -0.683 44.461 45.100 0.072 0.000 0.792 460 G HN -0.041 nan 8.290 nan 0.000 0.498 461 E N -0.441 119.783 120.200 0.040 0.000 2.023 461 E HA -0.181 4.171 4.350 0.002 0.000 0.196 461 E C 2.796 179.392 176.600 -0.006 0.000 1.003 461 E CA 2.292 58.698 56.400 0.010 0.000 0.809 461 E CB -0.384 29.313 29.700 -0.006 0.000 0.755 461 E HN 0.660 nan 8.360 nan 0.000 0.449 462 T N 0.011 114.544 114.554 -0.034 0.000 2.635 462 T HA -0.324 4.028 4.350 0.002 0.000 0.265 462 T C 1.877 176.466 174.700 -0.187 0.000 1.058 462 T CA 1.963 63.986 62.100 -0.129 0.000 1.162 462 T CB -1.066 67.680 68.868 -0.203 0.000 0.859 462 T HN 0.186 nan 8.240 nan 0.000 0.449 463 Y N 1.863 122.066 120.300 -0.162 0.000 2.145 463 Y HA -0.103 4.448 4.550 0.002 0.000 0.286 463 Y C 3.145 178.948 175.900 -0.162 0.000 1.145 463 Y CA 1.659 59.649 58.100 -0.183 0.000 1.148 463 Y CB -0.637 37.744 38.460 -0.131 0.000 0.981 463 Y HN 0.238 nan 8.280 nan 0.000 0.507 464 Q N 0.269 120.095 119.800 0.043 0.000 1.967 464 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 464 Q C 2.202 178.169 176.000 -0.055 0.000 0.985 464 Q CA 1.634 57.431 55.803 -0.011 0.000 0.839 464 Q CB -0.849 27.883 28.738 -0.010 0.000 0.906 464 Q HN 0.401 nan 8.270 nan 0.000 0.423 465 L N 0.321 121.505 121.223 -0.065 0.000 2.103 465 L HA -0.230 4.111 4.340 0.002 0.000 0.215 465 L C 1.953 178.750 176.870 -0.121 0.000 1.080 465 L CA 2.534 57.324 54.840 -0.083 0.000 0.764 465 L CB -1.441 40.569 42.059 -0.082 0.000 0.890 465 L HN 0.320 nan 8.230 nan 0.000 0.435 466 A N -0.496 122.211 122.820 -0.188 0.000 1.832 466 A HA -0.257 4.065 4.320 0.002 0.000 0.214 466 A C 2.437 179.895 177.584 -0.209 0.000 1.200 466 A CA 1.813 53.679 52.037 -0.285 0.000 0.610 466 A CB -0.749 17.931 19.000 -0.533 0.000 0.842 466 A HN 0.479 nan 8.150 nan 0.000 0.444 467 K N -0.074 120.227 120.400 -0.165 0.000 2.127 467 K HA -0.238 4.084 4.320 0.002 0.000 0.208 467 K C 1.892 178.456 176.600 -0.059 0.000 1.047 467 K CA 1.923 58.160 56.287 -0.084 0.000 0.927 467 K CB -0.182 32.293 32.500 -0.042 0.000 0.716 467 K HN 0.669 nan 8.250 nan 0.000 0.450 468 E N 0.449 120.612 120.200 -0.062 0.000 2.001 468 E HA -0.205 4.146 4.350 0.002 0.000 0.195 468 E C 2.115 178.690 176.600 -0.043 0.000 1.002 468 E CA 1.548 57.921 56.400 -0.045 0.000 0.819 468 E CB -0.243 29.430 29.700 -0.044 0.000 0.769 468 E HN 0.265 nan 8.360 nan 0.000 0.454 469 L N 0.813 122.003 121.223 -0.055 0.000 2.129 469 L HA -0.196 4.145 4.340 0.002 0.000 0.212 469 L C 2.423 179.272 176.870 -0.036 0.000 1.087 469 L CA 1.204 56.017 54.840 -0.046 0.000 0.757 469 L CB -0.660 41.364 42.059 -0.058 0.000 0.896 469 L HN 0.277 nan 8.230 nan 0.000 0.434 470 G N -1.042 107.730 108.800 -0.046 0.000 2.524 470 G HA2 -0.358 3.603 3.960 0.002 0.000 0.215 470 G HA3 -0.358 3.603 3.960 0.002 0.000 0.215 470 G C 1.407 176.308 174.900 0.002 0.000 1.239 470 G CA 0.727 45.817 45.100 -0.017 0.000 0.798 470 G HN 0.261 nan 8.290 nan 0.000 0.557 471 Q N -0.008 119.790 119.800 -0.003 0.000 2.152 471 Q HA -0.163 4.178 4.340 0.002 0.000 0.206 471 Q C 2.498 178.499 176.000 0.002 0.000 0.985 471 Q CA 2.240 58.045 55.803 0.003 0.000 0.863 471 Q CB -0.511 28.225 28.738 -0.004 0.000 0.904 471 Q HN 0.602 nan 8.270 nan 0.000 0.422 472 Q N -0.233 119.564 119.800 -0.006 0.000 1.985 472 Q HA -0.193 4.148 4.340 0.002 0.000 0.207 472 Q C 1.915 177.916 176.000 0.001 0.000 0.996 472 Q CA 2.113 57.912 55.803 -0.006 0.000 0.851 472 Q CB -0.853 27.877 28.738 -0.013 0.000 0.921 472 Q HN 0.480 nan 8.270 nan 0.000 0.418 473 L N -0.003 121.222 121.223 0.003 0.000 2.013 473 L HA -0.160 4.181 4.340 0.002 0.000 0.212 473 L C 2.225 179.108 176.870 0.021 0.000 1.073 473 L CA 1.832 56.679 54.840 0.012 0.000 0.753 473 L CB -0.493 41.576 42.059 0.017 0.000 0.890 473 L HN 0.486 nan 8.230 nan 0.000 0.432 474 I N -0.714 119.872 120.570 0.025 0.000 2.248 474 I HA -0.270 3.901 4.170 0.002 0.000 0.248 474 I C 2.375 178.508 176.117 0.027 0.000 1.107 474 I CA 1.050 62.370 61.300 0.033 0.000 1.373 474 I CB -0.598 37.424 38.000 0.036 0.000 1.055 474 I HN 0.349 nan 8.210 nan 0.000 0.418 475 E N 1.037 121.248 120.200 0.018 0.000 2.046 475 E HA -0.139 4.212 4.350 0.002 0.000 0.190 475 E C 1.925 178.533 176.600 0.013 0.000 0.982 475 E CA 1.035 57.443 56.400 0.014 0.000 0.800 475 E CB -0.513 29.191 29.700 0.008 0.000 0.756 475 E HN 0.524 nan 8.360 nan 0.000 0.449 476 N N 1.002 119.708 118.700 0.011 0.000 2.069 476 N HA -0.158 4.583 4.740 0.002 0.000 0.191 476 N C 2.090 177.609 175.510 0.015 0.000 1.031 476 N CA 1.381 54.436 53.050 0.010 0.000 0.852 476 N CB -1.073 37.418 38.487 0.007 0.000 1.018 476 N HN 0.176 nan 8.380 nan 0.000 0.423 477 C N 1.207 120.520 119.300 0.022 0.000 2.403 477 C HA -0.068 4.393 4.460 0.002 0.000 0.279 477 C C 2.429 177.435 174.990 0.027 0.000 1.269 477 C CA 0.390 59.425 59.018 0.029 0.000 1.774 477 C CB -0.841 26.924 27.740 0.042 0.000 1.993 477 C HN 0.489 nan 8.230 nan 0.000 0.496 478 K N 0.888 121.303 120.400 0.025 0.000 2.097 478 K HA -0.139 4.182 4.320 0.002 0.000 0.205 478 K C 1.856 178.466 176.600 0.017 0.000 1.050 478 K CA 1.489 57.789 56.287 0.022 0.000 0.938 478 K CB -0.217 32.295 32.500 0.020 0.000 0.718 478 K HN 0.743 nan 8.250 nan 0.000 0.442 479 E N 0.688 120.896 120.200 0.013 0.000 2.489 479 E HA -0.041 4.310 4.350 0.002 0.000 0.193 479 E C 1.094 177.699 176.600 0.009 0.000 1.057 479 E CA 0.516 56.922 56.400 0.009 0.000 0.866 479 E CB 0.330 30.034 29.700 0.006 0.000 0.916 479 E HN 0.173 nan 8.360 nan 0.000 0.500 480 V N -1.526 118.395 119.914 0.012 0.000 3.346 480 V HA 0.312 4.433 4.120 0.002 0.000 0.309 480 V C 0.446 176.549 176.094 0.015 0.000 1.457 480 V CA -0.625 61.681 62.300 0.011 0.000 1.069 480 V CB -0.526 31.302 31.823 0.010 0.000 0.944 480 V HN 0.071 nan 8.190 nan 0.000 0.449 481 L N 2.294 123.527 121.223 0.017 0.000 2.490 481 L HA 0.502 4.843 4.340 0.002 0.000 0.274 481 L C 1.782 178.660 176.870 0.014 0.000 1.201 481 L CA 1.313 56.164 54.840 0.019 0.000 0.869 481 L CB -0.063 42.008 42.059 0.019 0.000 1.123 481 L HN 0.518 nan 8.230 nan 0.000 0.484 482 G N 2.059 110.868 108.800 0.015 0.000 2.507 482 G HA2 -0.318 3.644 3.960 0.002 0.000 0.240 482 G HA3 -0.318 3.644 3.960 0.002 0.000 0.240 482 G C 0.481 175.386 174.900 0.009 0.000 1.119 482 G CA 0.024 45.131 45.100 0.011 0.000 0.664 482 G HN 0.591 nan 8.290 nan 0.000 0.516 483 K N 2.306 122.711 120.400 0.008 0.000 2.412 483 K HA 0.331 4.652 4.320 0.002 0.000 0.284 483 K C -2.185 174.418 176.600 0.005 0.000 1.046 483 K CA -1.227 55.062 56.287 0.004 0.000 0.999 483 K CB 0.483 32.985 32.500 0.003 0.000 0.941 483 K HN 0.151 nan 8.250 nan 0.000 0.474 484 P HA -0.108 nan 4.420 nan 0.000 0.263 484 P C -2.411 174.889 177.300 0.001 0.000 1.162 484 P CA -0.399 62.701 63.100 0.000 0.000 0.758 484 P CB -0.150 31.543 31.700 -0.011 0.000 0.773 485 P HA 0.291 nan 4.420 nan 0.000 0.276 485 P C -0.813 176.495 177.300 0.013 0.000 1.252 485 P CA -0.098 63.012 63.100 0.016 0.000 0.802 485 P CB 0.774 32.492 31.700 0.030 0.000 1.035 486 V N 1.470 121.395 119.914 0.019 0.000 2.760 486 V HA 0.232 4.354 4.120 0.002 0.000 0.309 486 V C -1.252 174.889 176.094 0.078 0.000 1.077 486 V CA -0.756 61.554 62.300 0.016 0.000 0.910 486 V CB 1.935 33.742 31.823 -0.026 0.000 1.008 486 V HN 0.416 nan 8.190 nan 0.000 0.424 487 Y N 5.462 125.749 120.300 -0.022 0.000 2.436 487 Y HA 0.529 5.080 4.550 0.002 0.000 0.343 487 Y C -0.061 175.831 175.900 -0.012 0.000 1.008 487 Y CA -0.422 57.688 58.100 0.015 0.000 1.241 487 Y CB 0.372 38.899 38.460 0.111 0.000 1.153 487 Y HN 0.579 nan 8.280 nan 0.000 0.521 488 K N 5.928 126.113 120.400 -0.358 0.000 2.613 488 K HA 0.149 4.471 4.320 0.002 0.000 0.248 488 K C -1.655 174.639 176.600 -0.510 0.000 0.959 488 K CA -0.605 55.386 56.287 -0.494 0.000 0.855 488 K CB 0.780 33.137 32.500 -0.238 0.000 1.143 488 K HN 0.659 nan 8.250 nan 0.000 0.437 489 D N 4.304 124.218 120.400 -0.809 0.000 2.374 489 D HA 0.083 4.725 4.640 0.002 0.000 0.240 489 D C 0.623 176.523 176.300 -0.667 0.000 1.229 489 D CA -0.108 53.409 54.000 -0.805 0.000 0.895 489 D CB 1.201 41.169 40.800 -1.387 0.000 1.046 489 D HN 0.266 nan 8.370 nan 0.000 0.498 490 V N 2.560 122.276 119.914 -0.331 0.000 3.649 490 V HA -0.024 4.097 4.120 0.002 0.000 0.275 490 V C 1.309 177.369 176.094 -0.056 0.000 1.281 490 V CA -0.082 62.125 62.300 -0.155 0.000 1.143 490 V CB -0.819 30.945 31.823 -0.098 0.000 0.892 490 V HN 0.527 nan 8.190 nan 0.000 0.441 491 S N 1.363 117.020 115.700 -0.072 0.000 2.580 491 S HA 0.343 4.814 4.470 0.002 0.000 0.266 491 S C -0.022 174.665 174.600 0.146 0.000 1.354 491 S CA -0.321 57.907 58.200 0.047 0.000 1.008 491 S CB 0.313 63.553 63.200 0.067 0.000 0.898 491 S HN 0.351 nan 8.310 nan 0.000 0.555 492 I N 0.990 121.603 120.570 0.073 0.000 2.308 492 I HA 0.292 4.463 4.170 0.002 0.000 0.293 492 I C -2.381 173.734 176.117 -0.003 0.000 1.078 492 I CA -2.217 59.102 61.300 0.032 0.000 1.292 492 I CB -0.419 37.576 38.000 -0.009 0.000 1.423 492 I HN 0.353 nan 8.210 nan 0.000 0.493 493 P HA -0.095 nan 4.420 nan 0.000 0.261 493 P C -0.092 177.123 177.300 -0.142 0.000 1.165 493 P CA 0.566 63.536 63.100 -0.216 0.000 0.759 493 P CB 0.441 31.959 31.700 -0.302 0.000 0.772 494 T N 1.675 116.149 114.554 -0.134 0.000 2.907 494 T HA 0.731 5.082 4.350 0.002 0.000 0.292 494 T C -0.181 174.453 174.700 -0.111 0.000 1.043 494 T CA -0.552 61.486 62.100 -0.103 0.000 1.003 494 T CB 1.101 69.926 68.868 -0.073 0.000 1.084 494 T HN 0.341 nan 8.240 nan 0.000 0.483 495 G N 2.452 111.187 108.800 -0.109 0.000 2.788 495 G HA2 0.795 4.756 3.960 0.002 0.000 0.293 495 G HA3 0.795 4.756 3.960 0.002 0.000 0.293 495 G C -3.149 171.694 174.900 -0.095 0.000 1.305 495 G CA -1.700 43.336 45.100 -0.107 0.000 1.005 495 G HN 0.609 nan 8.290 nan 0.000 0.496 496 P HA 0.333 nan 4.420 nan 0.000 0.294 496 P C -1.175 176.146 177.300 0.034 0.000 1.294 496 P CA -0.435 62.706 63.100 0.068 0.000 0.827 496 P CB 1.766 33.559 31.700 0.155 0.000 0.992 497 Q N 1.704 121.498 119.800 -0.011 0.000 2.709 497 Q HA 0.274 4.615 4.340 0.002 0.000 0.232 497 Q C -1.164 174.902 176.000 0.111 0.000 0.856 497 Q CA -0.343 55.468 55.803 0.013 0.000 0.788 497 Q CB 1.217 29.911 28.738 -0.073 0.000 1.386 497 Q HN 0.555 nan 8.270 nan 0.000 0.453 498 T N 0.376 115.065 114.554 0.225 0.000 2.845 498 T HA 0.632 4.983 4.350 0.002 0.000 0.288 498 T C 0.174 174.936 174.700 0.103 0.000 0.980 498 T CA -0.302 61.931 62.100 0.221 0.000 1.071 498 T CB 1.526 70.505 68.868 0.185 0.000 0.941 498 T HN 0.506 nan 8.240 nan 0.000 0.487 499 T N 0.781 115.386 114.554 0.086 0.000 2.893 499 T HA 0.624 4.975 4.350 0.002 0.000 0.293 499 T C -0.574 174.154 174.700 0.047 0.000 1.027 499 T CA -1.072 61.058 62.100 0.050 0.000 0.988 499 T CB 0.987 69.873 68.868 0.031 0.000 1.043 499 T HN 0.689 nan 8.240 nan 0.000 0.461 500 I N 3.078 123.669 120.570 0.036 0.000 2.371 500 I HA 0.278 4.450 4.170 0.002 0.000 0.282 500 I C 0.263 176.395 176.117 0.025 0.000 1.031 500 I CA -0.822 60.497 61.300 0.032 0.000 1.180 500 I CB 0.902 38.920 38.000 0.030 0.000 1.336 500 I HN 0.778 nan 8.210 nan 0.000 0.467 501 D N 4.812 125.227 120.400 0.025 0.000 2.474 501 D HA -0.027 4.614 4.640 0.002 0.000 0.232 501 D C 1.279 177.591 176.300 0.019 0.000 1.177 501 D CA 0.429 54.441 54.000 0.021 0.000 0.876 501 D CB 1.325 42.138 40.800 0.022 0.000 1.208 501 D HN 0.646 nan 8.370 nan 0.000 0.464 502 A N 3.942 126.772 122.820 0.017 0.000 2.121 502 A HA -0.126 4.196 4.320 0.002 0.000 0.218 502 A C 2.018 179.612 177.584 0.017 0.000 1.154 502 A CA 0.930 52.976 52.037 0.016 0.000 0.679 502 A CB -0.240 18.768 19.000 0.014 0.000 0.795 502 A HN 0.638 nan 8.150 nan 0.000 0.458 503 R N -1.449 119.062 120.500 0.018 0.000 2.313 503 R HA 0.129 4.471 4.340 0.002 0.000 0.199 503 R C 1.349 177.661 176.300 0.020 0.000 0.958 503 R CA 0.617 56.728 56.100 0.019 0.000 1.047 503 R CB -0.095 30.216 30.300 0.019 0.000 0.955 503 R HN 0.687 nan 8.270 nan 0.000 0.481 504 G N 0.800 109.612 108.800 0.020 0.000 2.195 504 G HA2 -0.240 3.721 3.960 0.002 0.000 0.246 504 G HA3 -0.240 3.721 3.960 0.002 0.000 0.246 504 G C -0.057 174.858 174.900 0.024 0.000 0.984 504 G CA -0.389 44.724 45.100 0.022 0.000 0.633 504 G HN 0.276 nan 8.290 nan 0.000 0.525 505 N N 0.821 119.536 118.700 0.025 0.000 2.411 505 N HA 0.236 4.977 4.740 0.002 0.000 0.261 505 N C 0.375 175.905 175.510 0.033 0.000 1.248 505 N CA 0.651 53.717 53.050 0.028 0.000 0.885 505 N CB 0.398 38.901 38.487 0.026 0.000 1.062 505 N HN 0.437 nan 8.380 nan 0.000 0.471 506 I N 2.485 123.078 120.570 0.038 0.000 2.330 506 I HA 0.141 4.312 4.170 0.002 0.000 0.289 506 I C 0.451 176.606 176.117 0.063 0.000 1.001 506 I CA -0.603 60.726 61.300 0.048 0.000 1.193 506 I CB 1.035 39.062 38.000 0.045 0.000 1.345 506 I HN 0.440 nan 8.210 nan 0.000 0.461 507 Q N 6.511 126.356 119.800 0.075 0.000 2.416 507 Q HA 0.536 4.877 4.340 0.002 0.000 0.279 507 Q C -1.677 174.421 176.000 0.162 0.000 1.101 507 Q CA -0.892 54.968 55.803 0.096 0.000 0.830 507 Q CB 2.724 31.497 28.738 0.058 0.000 1.402 507 Q HN 0.554 nan 8.270 nan 0.000 0.445 508 Y N 0.719 121.028 120.300 0.014 0.000 2.317 508 Y HA 0.357 4.908 4.550 0.002 0.000 0.325 508 Y C -1.429 174.477 175.900 0.009 0.000 1.066 508 Y CA -0.306 57.802 58.100 0.014 0.000 1.203 508 Y CB 1.746 40.220 38.460 0.024 0.000 1.127 508 Y HN 0.824 nan 8.280 nan 0.000 0.451 509 Q N 3.043 122.608 119.800 -0.393 0.000 2.166 509 Q HA 0.466 4.807 4.340 0.002 0.000 0.226 509 Q C -0.912 174.707 176.000 -0.635 0.000 0.989 509 Q CA -1.151 54.412 55.803 -0.400 0.000 0.966 509 Q CB 1.511 30.130 28.738 -0.198 0.000 1.173 509 Q HN 0.575 nan 8.270 nan 0.000 0.509 510 E N 1.173 121.147 120.200 -0.377 0.000 2.207 510 E HA 0.278 4.629 4.350 0.002 0.000 0.250 510 E C -1.331 175.163 176.600 -0.176 0.000 0.890 510 E CA -0.271 55.952 56.400 -0.296 0.000 0.749 510 E CB 1.620 31.198 29.700 -0.203 0.000 1.193 510 E HN 0.243 nan 8.360 nan 0.000 0.423 511 V N 3.915 123.733 119.914 -0.159 0.000 2.509 511 V HA 0.231 4.353 4.120 0.002 0.000 0.284 511 V C -2.138 173.898 176.094 -0.097 0.000 1.047 511 V CA -2.240 59.993 62.300 -0.112 0.000 0.952 511 V CB 0.959 32.723 31.823 -0.099 0.000 0.988 511 V HN 0.481 nan 8.190 nan 0.000 0.469 512 P HA 0.026 nan 4.420 nan 0.000 0.261 512 P C -0.065 177.182 177.300 -0.089 0.000 1.173 512 P CA 0.223 63.274 63.100 -0.082 0.000 0.760 512 P CB 0.247 31.905 31.700 -0.070 0.000 0.783 513 R N 3.168 123.608 120.500 -0.100 0.000 2.458 513 R HA 0.067 4.408 4.340 0.002 0.000 0.303 513 R C 1.449 177.690 176.300 -0.099 0.000 1.013 513 R CA 0.131 56.170 56.100 -0.103 0.000 1.026 513 R CB 0.252 30.483 30.300 -0.114 0.000 0.948 513 R HN 0.509 nan 8.270 nan 0.000 0.417 514 A N 2.803 125.571 122.820 -0.086 0.000 2.070 514 A HA -0.138 4.183 4.320 0.002 0.000 0.220 514 A C 1.861 179.391 177.584 -0.090 0.000 1.159 514 A CA 1.461 53.450 52.037 -0.079 0.000 0.656 514 A CB 0.069 19.031 19.000 -0.063 0.000 0.800 514 A HN 0.677 nan 8.150 nan 0.000 0.453 515 S N -1.245 114.400 115.700 -0.093 0.000 2.456 515 S HA 0.468 4.939 4.470 0.002 0.000 0.224 515 S C 0.898 175.408 174.600 -0.149 0.000 1.035 515 S CA 0.419 58.564 58.200 -0.092 0.000 0.940 515 S CB 0.044 63.210 63.200 -0.057 0.000 0.799 515 S HN 0.750 nan 8.310 nan 0.000 0.508 516 A N 0.719 123.444 122.820 -0.158 0.000 2.355 516 A HA 0.771 5.092 4.320 0.002 0.000 0.324 516 A C 0.614 178.047 177.584 -0.252 0.000 1.117 516 A CA -0.577 51.328 52.037 -0.221 0.000 0.785 516 A CB 1.151 20.130 19.000 -0.036 0.000 1.254 516 A HN 0.106 nan 8.150 nan 0.000 0.453 517 R N 0.159 120.450 120.500 -0.348 0.000 2.320 517 R HA 0.221 4.563 4.340 0.002 0.000 0.193 517 R C 0.086 176.385 176.300 -0.002 0.000 0.885 517 R CA 0.478 56.474 56.100 -0.172 0.000 1.085 517 R CB 0.172 30.349 30.300 -0.205 0.000 1.253 517 R HN 0.628 nan 8.270 nan 0.000 0.636 518 K N 0.053 120.553 120.400 0.167 0.000 2.210 518 K HA 0.265 4.586 4.320 0.002 0.000 0.236 518 K C 0.991 177.732 176.600 0.235 0.000 1.016 518 K CA -0.441 55.986 56.287 0.233 0.000 0.913 518 K CB 0.634 33.282 32.500 0.248 0.000 1.141 518 K HN -0.128 nan 8.250 nan 0.000 0.462 519 F N 1.452 121.395 119.950 -0.011 0.000 2.325 519 F HA -0.102 4.426 4.527 0.002 0.000 0.299 519 F C 2.050 177.904 175.800 0.091 0.000 1.090 519 F CA 1.078 59.050 58.000 -0.047 0.000 1.392 519 F CB 0.343 39.125 39.000 -0.364 0.000 1.053 519 F HN 0.617 nan 8.300 nan 0.000 0.521 520 E N -0.708 119.603 120.200 0.185 0.000 2.118 520 E HA -0.271 4.080 4.350 0.002 0.000 0.195 520 E C 1.720 178.328 176.600 0.013 0.000 0.992 520 E CA 1.767 58.210 56.400 0.072 0.000 0.804 520 E CB -0.436 29.237 29.700 -0.046 0.000 0.741 520 E HN 0.591 nan 8.360 nan 0.000 0.458 521 H N -0.476 118.628 119.070 0.057 0.000 2.293 521 H HA -0.176 4.381 4.556 0.002 0.000 0.300 521 H C 1.906 177.248 175.328 0.024 0.000 1.082 521 H CA 1.938 58.001 56.048 0.026 0.000 1.308 521 H CB -0.420 29.345 29.762 0.005 0.000 1.375 521 H HN 0.225 nan 8.280 nan 0.000 0.495 522 Y N 1.417 121.724 120.300 0.012 0.000 2.069 522 Y HA -0.319 4.232 4.550 0.002 0.000 0.278 522 Y C 2.331 178.254 175.900 0.039 0.000 1.175 522 Y CA 1.740 59.793 58.100 -0.078 0.000 1.134 522 Y CB -0.825 37.437 38.460 -0.331 0.000 0.965 522 Y HN 0.000 nan 8.280 nan 0.000 0.498 523 V N 0.973 120.888 119.914 0.002 0.000 2.282 523 V HA -0.370 3.751 4.120 0.002 0.000 0.249 523 V C 2.350 178.390 176.094 -0.090 0.000 1.057 523 V CA 2.452 64.728 62.300 -0.041 0.000 1.032 523 V CB -0.826 31.095 31.823 0.164 0.000 0.645 523 V HN 0.366 nan 8.190 nan 0.000 0.447 524 K N -0.298 120.079 120.400 -0.037 0.000 1.965 524 K HA -0.209 4.113 4.320 0.002 0.000 0.214 524 K C 2.342 178.929 176.600 -0.022 0.000 1.046 524 K CA 1.773 58.046 56.287 -0.024 0.000 0.944 524 K CB -0.414 32.076 32.500 -0.017 0.000 0.726 524 K HN 0.458 nan 8.250 nan 0.000 0.441 525 Q N -0.099 119.690 119.800 -0.019 0.000 2.182 525 Q HA -0.268 4.073 4.340 0.002 0.000 0.213 525 Q C 2.167 178.168 176.000 0.002 0.000 1.000 525 Q CA 1.702 57.498 55.803 -0.012 0.000 0.889 525 Q CB -0.211 28.508 28.738 -0.032 0.000 0.932 525 Q HN 0.333 nan 8.270 nan 0.000 0.415 526 M N -0.302 119.236 119.600 -0.104 0.000 2.091 526 M HA -0.123 4.358 4.480 0.002 0.000 0.259 526 M C 2.421 178.814 176.300 0.156 0.000 1.076 526 M CA 1.747 57.045 55.300 -0.002 0.000 1.111 526 M CB -1.651 30.817 32.600 -0.220 0.000 1.291 526 M HN 0.243 nan 8.290 nan 0.000 0.417 527 A N 0.007 122.853 122.820 0.044 0.000 1.958 527 A HA -0.241 4.080 4.320 0.002 0.000 0.221 527 A C 2.069 179.694 177.584 0.068 0.000 1.178 527 A CA 2.161 54.229 52.037 0.052 0.000 0.642 527 A CB -0.940 18.068 19.000 0.013 0.000 0.816 527 A HN 0.640 nan 8.150 nan 0.000 0.453 528 E N -1.051 119.192 120.200 0.071 0.000 2.026 528 E HA 0.121 4.472 4.350 0.002 0.000 0.206 528 E C 1.201 177.830 176.600 0.048 0.000 1.028 528 E CA 1.043 57.482 56.400 0.065 0.000 0.845 528 E CB -0.253 29.490 29.700 0.072 0.000 0.772 528 E HN 0.819 nan 8.360 nan 0.000 0.462 529 G N -1.369 107.473 108.800 0.070 0.000 2.334 529 G HA2 0.297 4.258 3.960 0.002 0.000 0.315 529 G HA3 0.297 4.258 3.960 0.002 0.000 0.315 529 G C -0.913 173.893 174.900 -0.157 0.000 1.284 529 G CA -0.642 44.357 45.100 -0.167 0.000 0.985 529 G HN 0.511 nan 8.290 nan 0.000 0.504 530 G N -0.874 107.635 108.800 -0.486 0.000 2.591 530 G HA2 0.698 4.660 3.960 0.002 0.000 0.306 530 G HA3 0.698 4.660 3.960 0.002 0.000 0.306 530 G C -1.472 173.285 174.900 -0.239 0.000 1.334 530 G CA -0.762 44.207 45.100 -0.218 0.000 0.981 530 G HN 0.434 nan 8.290 nan 0.000 0.491 531 P HA -0.158 nan 4.420 nan 0.000 0.216 531 P C 2.029 179.223 177.300 -0.177 0.000 1.153 531 P CA 0.389 63.425 63.100 -0.108 0.000 0.858 531 P CB 0.287 31.957 31.700 -0.050 0.000 0.789 532 I N -0.138 120.301 120.570 -0.218 0.000 2.315 532 I HA -0.202 3.969 4.170 0.002 0.000 0.251 532 I C 0.701 176.353 176.117 -0.775 0.000 1.125 532 I CA 1.430 62.544 61.300 -0.310 0.000 1.392 532 I CB -0.479 37.391 38.000 -0.216 0.000 1.065 532 I HN -0.093 nan 8.210 nan 0.000 0.424 533 S N 1.061 116.166 115.700 -0.992 0.000 3.729 533 S HA 0.306 4.777 4.470 0.002 0.000 0.235 533 S C -0.030 174.379 174.600 -0.319 0.000 1.367 533 S CA -0.694 56.798 58.200 -1.180 0.000 0.907 533 S CB 0.022 62.634 63.200 -0.980 0.000 1.471 533 S HN 0.442 nan 8.310 nan 0.000 0.476 534 Q N 1.611 121.362 119.800 -0.083 0.000 2.214 534 Q HA 0.408 4.749 4.340 0.002 0.000 0.251 534 Q C -0.902 175.243 176.000 0.241 0.000 0.936 534 Q CA -0.961 54.900 55.803 0.097 0.000 0.894 534 Q CB 0.746 29.524 28.738 0.066 0.000 1.252 534 Q HN 0.650 nan 8.270 nan 0.000 0.448 535 Y N 0.772 121.101 120.300 0.048 0.000 2.812 535 Y HA -0.106 4.445 4.550 0.002 0.000 0.348 535 Y C 0.424 176.360 175.900 0.060 0.000 1.274 535 Y CA 0.555 58.689 58.100 0.057 0.000 1.489 535 Y CB 0.511 38.982 38.460 0.019 0.000 1.348 535 Y HN 0.548 nan 8.280 nan 0.000 0.646 536 S N 3.055 118.795 115.700 0.067 0.000 2.549 536 S HA -0.032 4.439 4.470 0.002 0.000 0.283 536 S C 1.057 175.722 174.600 0.109 0.000 1.320 536 S CA -0.680 57.545 58.200 0.042 0.000 1.058 536 S CB 0.397 63.567 63.200 -0.050 0.000 0.882 536 S HN 0.590 nan 8.310 nan 0.000 0.498 537 N N 2.221 120.968 118.700 0.078 0.000 2.258 537 N HA -0.159 4.582 4.740 0.002 0.000 0.187 537 N C 1.721 177.269 175.510 0.064 0.000 1.012 537 N CA 1.085 54.178 53.050 0.072 0.000 0.870 537 N CB -0.250 38.260 38.487 0.038 0.000 0.977 537 N HN 0.717 nan 8.380 nan 0.000 0.434 538 R N 0.264 120.784 120.500 0.035 0.000 2.100 538 R HA -0.020 4.322 4.340 0.002 0.000 0.220 538 R C 1.917 178.223 176.300 0.011 0.000 1.091 538 R CA 1.558 57.660 56.100 0.004 0.000 0.986 538 R CB -0.321 29.961 30.300 -0.031 0.000 0.888 538 R HN 0.322 nan 8.270 nan 0.000 0.444 539 T N -1.113 113.450 114.554 0.016 0.000 2.881 539 T HA -0.050 4.301 4.350 0.002 0.000 0.270 539 T C 1.749 176.498 174.700 0.082 0.000 1.068 539 T CA 0.940 63.044 62.100 0.005 0.000 1.131 539 T CB -0.090 68.713 68.868 -0.107 0.000 0.871 539 T HN 0.191 nan 8.240 nan 0.000 0.479 540 K N 0.594 121.073 120.400 0.132 0.000 1.991 540 K HA 0.035 4.356 4.320 0.002 0.000 0.207 540 K C 2.422 179.056 176.600 0.057 0.000 1.045 540 K CA 1.235 57.574 56.287 0.088 0.000 0.937 540 K CB -0.597 31.938 32.500 0.059 0.000 0.720 540 K HN 0.234 nan 8.250 nan 0.000 0.438 541 V N 2.134 122.078 119.914 0.049 0.000 2.370 541 V HA -0.327 3.794 4.120 0.002 0.000 0.252 541 V C 2.313 178.440 176.094 0.056 0.000 1.068 541 V CA 1.858 64.185 62.300 0.044 0.000 1.061 541 V CB -0.591 31.248 31.823 0.027 0.000 0.656 541 V HN 0.400 nan 8.190 nan 0.000 0.455 542 Q N -0.255 119.570 119.800 0.042 0.000 1.969 542 Q HA -0.139 4.202 4.340 0.002 0.000 0.198 542 Q C 2.269 178.314 176.000 0.076 0.000 0.978 542 Q CA 1.489 57.320 55.803 0.047 0.000 0.830 542 Q CB -0.324 28.418 28.738 0.006 0.000 0.896 542 Q HN 0.579 nan 8.270 nan 0.000 0.431 543 N N 0.991 119.723 118.700 0.054 0.000 2.258 543 N HA -0.150 4.591 4.740 0.002 0.000 0.187 543 N C 1.029 176.577 175.510 0.064 0.000 1.012 543 N CA 1.230 54.312 53.050 0.053 0.000 0.870 543 N CB -0.223 38.288 38.487 0.039 0.000 0.977 543 N HN 0.255 nan 8.380 nan 0.000 0.434 544 D N 0.670 121.111 120.400 0.068 0.000 2.084 544 D HA -0.000 4.641 4.640 0.002 0.000 0.199 544 D C 2.224 178.586 176.300 0.103 0.000 0.981 544 D CA 0.424 54.465 54.000 0.069 0.000 0.841 544 D CB -0.554 40.280 40.800 0.057 0.000 0.997 544 D HN 0.136 nan 8.370 nan 0.000 0.454 545 L N 0.764 122.077 121.223 0.150 0.000 2.137 545 L HA -0.235 4.106 4.340 0.002 0.000 0.213 545 L C 2.583 179.584 176.870 0.219 0.000 1.085 545 L CA 1.083 56.071 54.840 0.246 0.000 0.760 545 L CB -0.347 41.931 42.059 0.366 0.000 0.893 545 L HN 0.012 nan 8.230 nan 0.000 0.434 546 R N 0.294 120.908 120.500 0.191 0.000 2.127 546 R HA -0.175 4.166 4.340 0.002 0.000 0.228 546 R C 2.496 178.847 176.300 0.085 0.000 1.125 546 R CA 2.181 58.356 56.100 0.125 0.000 0.904 546 R CB -1.110 29.247 30.300 0.094 0.000 0.831 546 R HN 0.495 nan 8.270 nan 0.000 0.431 547 S N 0.497 116.239 115.700 0.070 0.000 2.440 547 S HA -0.085 4.386 4.470 0.002 0.000 0.238 547 S C 2.244 176.864 174.600 0.033 0.000 1.010 547 S CA 1.276 59.505 58.200 0.047 0.000 0.972 547 S CB -0.582 62.636 63.200 0.029 0.000 0.774 547 S HN 0.070 nan 8.310 nan 0.000 0.501 548 V N 0.882 120.828 119.914 0.053 0.000 2.295 548 V HA -0.204 3.918 4.120 0.002 0.000 0.246 548 V C 2.135 178.220 176.094 -0.015 0.000 1.049 548 V CA 2.083 64.398 62.300 0.027 0.000 1.024 548 V CB -0.936 30.958 31.823 0.119 0.000 0.648 548 V HN 0.607 nan 8.190 nan 0.000 0.447 549 Y N 1.056 121.317 120.300 -0.064 0.000 2.114 549 Y HA -0.253 4.299 4.550 0.002 0.000 0.284 549 Y C 2.621 178.457 175.900 -0.107 0.000 1.143 549 Y CA 1.977 60.045 58.100 -0.052 0.000 1.135 549 Y CB -0.129 38.133 38.460 -0.330 0.000 0.980 549 Y HN 0.110 nan 8.280 nan 0.000 0.499 550 K N 0.153 120.679 120.400 0.210 0.000 2.160 550 K HA -0.220 4.101 4.320 0.002 0.000 0.206 550 K C 2.040 178.618 176.600 -0.038 0.000 1.047 550 K CA 1.546 57.906 56.287 0.121 0.000 0.930 550 K CB -0.251 32.299 32.500 0.084 0.000 0.720 550 K HN 0.417 nan 8.250 nan 0.000 0.450 551 L N 0.699 121.869 121.223 -0.088 0.000 2.013 551 L HA -0.133 4.208 4.340 0.002 0.000 0.204 551 L C 2.285 179.009 176.870 -0.242 0.000 1.081 551 L CA 1.089 55.845 54.840 -0.141 0.000 0.751 551 L CB -0.265 41.719 42.059 -0.125 0.000 0.901 551 L HN 0.157 nan 8.230 nan 0.000 0.440 552 I N -0.221 120.142 120.570 -0.344 0.000 2.229 552 I HA -0.398 3.773 4.170 0.002 0.000 0.250 552 I C 2.718 178.546 176.117 -0.482 0.000 1.096 552 I CA 1.287 62.298 61.300 -0.481 0.000 1.358 552 I CB -0.330 37.173 38.000 -0.828 0.000 1.047 552 I HN 0.341 nan 8.210 nan 0.000 0.422 553 R N 1.728 121.928 120.500 -0.501 0.000 2.060 553 R HA -0.010 4.331 4.340 0.002 0.000 0.225 553 R C 1.492 177.468 176.300 -0.540 0.000 1.155 553 R CA 1.483 57.285 56.100 -0.496 0.000 0.930 553 R CB -0.459 29.584 30.300 -0.427 0.000 0.829 553 R HN 0.138 nan 8.270 nan 0.000 0.433 554 R N 1.239 121.542 120.500 -0.328 0.000 4.739 554 R HA 0.070 4.411 4.340 0.002 0.000 0.203 554 R C -0.285 175.845 176.300 -0.283 0.000 2.125 554 R CA 0.316 56.250 56.100 -0.277 0.000 1.743 554 R CB -0.232 30.015 30.300 -0.087 0.000 1.271 554 R HN 0.364 nan 8.270 nan 0.000 0.746 555 Q N 0.334 119.875 119.800 -0.431 0.000 3.761 555 Q HA 0.114 4.455 4.340 0.002 0.000 0.206 555 Q C -1.276 174.563 176.000 -0.269 0.000 0.900 555 Q CA -0.314 55.330 55.803 -0.264 0.000 0.737 555 Q CB 1.042 29.667 28.738 -0.188 0.000 1.454 555 Q HN 0.376 nan 8.270 nan 0.000 0.448 556 H N 2.938 121.970 119.070 -0.063 0.000 3.157 556 H HA 0.187 4.744 4.556 0.002 0.000 0.260 556 H C 0.776 176.074 175.328 -0.050 0.000 1.232 556 H CA 0.491 56.505 56.048 -0.058 0.000 1.488 556 H CB 0.342 30.080 29.762 -0.041 0.000 1.548 556 H HN 0.552 nan 8.280 nan 0.000 0.487 557 R N 1.603 122.118 120.500 0.025 0.000 2.371 557 R HA 0.155 4.497 4.340 0.002 0.000 0.261 557 R C -0.497 175.794 176.300 -0.015 0.000 0.768 557 R CA -0.253 55.851 56.100 0.006 0.000 0.992 557 R CB 0.299 30.592 30.300 -0.012 0.000 1.687 557 R HN 0.139 nan 8.270 nan 0.000 0.463 558 L N 2.760 123.965 121.223 -0.030 0.000 2.357 558 L HA 0.379 4.720 4.340 0.002 0.000 0.273 558 L C 0.671 177.534 176.870 -0.012 0.000 1.080 558 L CA -0.824 53.993 54.840 -0.039 0.000 0.803 558 L CB 1.621 43.632 42.059 -0.081 0.000 1.174 558 L HN 0.113 nan 8.230 nan 0.000 0.443 559 S N 0.603 116.297 115.700 -0.009 0.000 2.560 559 S HA 0.072 4.543 4.470 0.002 0.000 0.284 559 S C 0.638 175.245 174.600 0.013 0.000 1.327 559 S CA -0.550 57.653 58.200 0.004 0.000 1.055 559 S CB 0.560 63.762 63.200 0.003 0.000 0.868 559 S HN 0.604 nan 8.310 nan 0.000 0.506 560 K N 1.483 121.896 120.400 0.021 0.000 2.574 560 K HA 0.002 4.323 4.320 0.002 0.000 0.193 560 K C 1.754 178.373 176.600 0.032 0.000 1.035 560 K CA 0.594 56.900 56.287 0.031 0.000 0.982 560 K CB -0.183 32.334 32.500 0.029 0.000 0.795 560 K HN 0.559 nan 8.250 nan 0.000 0.491 561 S N 0.137 115.852 115.700 0.025 0.000 2.406 561 S HA -0.051 4.421 4.470 0.002 0.000 0.228 561 S C 1.753 176.375 174.600 0.036 0.000 1.020 561 S CA 1.076 59.292 58.200 0.027 0.000 0.965 561 S CB 0.138 63.350 63.200 0.019 0.000 0.798 561 S HN 0.255 nan 8.310 nan 0.000 0.488 562 S N 1.167 116.887 115.700 0.032 0.000 2.460 562 S HA 0.082 4.554 4.470 0.002 0.000 0.226 562 S C 1.859 176.500 174.600 0.069 0.000 1.057 562 S CA 0.023 58.248 58.200 0.042 0.000 0.948 562 S CB -0.205 63.001 63.200 0.011 0.000 0.822 562 S HN 0.436 nan 8.310 nan 0.000 0.512 563 Q N 1.176 121.000 119.800 0.040 0.000 2.030 563 Q HA -0.061 4.280 4.340 0.002 0.000 0.204 563 Q C 2.150 178.219 176.000 0.115 0.000 0.986 563 Q CA 1.047 56.880 55.803 0.049 0.000 0.843 563 Q CB -0.394 28.350 28.738 0.011 0.000 0.904 563 Q HN 0.321 nan 8.270 nan 0.000 0.420 564 L N 1.045 122.321 121.223 0.088 0.000 2.127 564 L HA -0.227 4.114 4.340 0.002 0.000 0.211 564 L C 1.967 178.896 176.870 0.099 0.000 1.089 564 L CA 1.888 56.782 54.840 0.090 0.000 0.757 564 L CB -0.524 41.573 42.059 0.064 0.000 0.899 564 L HN 0.400 nan 8.230 nan 0.000 0.434 565 Q N -1.717 118.145 119.800 0.104 0.000 2.360 565 Q HA -0.112 4.229 4.340 0.002 0.000 0.202 565 Q C 1.700 177.786 176.000 0.144 0.000 0.915 565 Q CA -0.013 55.849 55.803 0.097 0.000 0.943 565 Q CB 0.144 28.927 28.738 0.076 0.000 1.064 565 Q HN 0.479 nan 8.270 nan 0.000 0.511 566 F N 1.604 121.572 119.950 0.031 0.000 2.164 566 F HA 0.025 4.553 4.527 0.002 0.000 0.287 566 F C 1.694 177.572 175.800 0.132 0.000 1.086 566 F CA 1.474 59.497 58.000 0.038 0.000 1.249 566 F CB -0.442 38.530 39.000 -0.046 0.000 1.059 566 F HN 0.135 nan 8.300 nan 0.000 0.490 567 N N 1.443 120.100 118.700 -0.072 0.000 2.430 567 N HA -0.180 4.561 4.740 0.002 0.000 0.186 567 N C 1.898 177.429 175.510 0.034 0.000 1.032 567 N CA 1.078 54.148 53.050 0.035 0.000 0.893 567 N CB -0.649 38.068 38.487 0.384 0.000 0.957 567 N HN 0.441 nan 8.380 nan 0.000 0.442 568 A N 2.341 125.168 122.820 0.012 0.000 1.845 568 A HA -0.034 4.288 4.320 0.002 0.000 0.215 568 A C 2.357 179.918 177.584 -0.038 0.000 1.195 568 A CA 0.925 52.964 52.037 0.003 0.000 0.616 568 A CB -0.835 18.180 19.000 0.025 0.000 0.832 568 A HN 0.202 nan 8.150 nan 0.000 0.443 569 L N -1.664 119.527 121.223 -0.054 0.000 2.465 569 L HA -0.100 4.241 4.340 0.002 0.000 0.224 569 L C 2.370 179.182 176.870 -0.097 0.000 1.145 569 L CA 0.866 55.674 54.840 -0.053 0.000 0.834 569 L CB -0.430 41.630 42.059 0.001 0.000 0.944 569 L HN 0.631 nan 8.230 nan 0.000 0.451 570 Y N 0.858 120.943 120.300 -0.358 0.000 2.201 570 Y HA -0.121 4.430 4.550 0.002 0.000 0.292 570 Y C 2.409 178.196 175.900 -0.189 0.000 1.119 570 Y CA 1.195 59.068 58.100 -0.378 0.000 1.127 570 Y CB -0.081 38.005 38.460 -0.623 0.000 1.019 570 Y HN -0.074 nan 8.280 nan 0.000 0.514 571 K N 0.168 120.376 120.400 -0.321 0.000 2.044 571 K HA -0.224 4.097 4.320 0.002 0.000 0.210 571 K C 1.751 178.206 176.600 -0.242 0.000 1.049 571 K CA 1.809 57.894 56.287 -0.338 0.000 0.927 571 K CB -0.400 32.008 32.500 -0.154 0.000 0.713 571 K HN 0.285 nan 8.250 nan 0.000 0.443 572 D N 0.436 120.745 120.400 -0.152 0.000 2.154 572 D HA -0.186 4.455 4.640 0.002 0.000 0.190 572 D C 1.842 178.068 176.300 -0.123 0.000 1.003 572 D CA 1.328 55.265 54.000 -0.106 0.000 0.849 572 D CB -0.275 40.485 40.800 -0.068 0.000 0.942 572 D HN -0.054 nan 8.370 nan 0.000 0.446 573 V N 1.186 121.014 119.914 -0.144 0.000 2.343 573 V HA -0.224 3.897 4.120 0.002 0.000 0.247 573 V C 2.439 178.437 176.094 -0.160 0.000 1.051 573 V CA 1.102 63.328 62.300 -0.123 0.000 1.036 573 V CB -0.408 31.364 31.823 -0.084 0.000 0.654 573 V HN 0.244 nan 8.190 nan 0.000 0.451 574 I N -0.120 120.294 120.570 -0.260 0.000 2.179 574 I HA -0.217 3.954 4.170 0.002 0.000 0.242 574 I C 2.630 178.645 176.117 -0.170 0.000 1.088 574 I CA 1.783 62.935 61.300 -0.247 0.000 1.357 574 I CB -1.140 36.642 38.000 -0.363 0.000 1.051 574 I HN 0.303 nan 8.210 nan 0.000 0.409 575 R N 1.200 121.609 120.500 -0.152 0.000 2.070 575 R HA -0.138 4.204 4.340 0.002 0.000 0.233 575 R C 2.495 178.727 176.300 -0.114 0.000 1.137 575 R CA 1.772 57.809 56.100 -0.105 0.000 0.945 575 R CB -0.249 30.008 30.300 -0.073 0.000 0.845 575 R HN 0.344 nan 8.270 nan 0.000 0.430 576 A N 1.284 124.043 122.820 -0.102 0.000 1.927 576 A HA -0.194 4.127 4.320 0.002 0.000 0.220 576 A C 2.235 179.753 177.584 -0.109 0.000 1.185 576 A CA 1.448 53.430 52.037 -0.092 0.000 0.639 576 A CB -0.674 18.283 19.000 -0.072 0.000 0.820 576 A HN 0.355 nan 8.150 nan 0.000 0.451 577 L N -1.299 119.856 121.223 -0.113 0.000 2.083 577 L HA -0.205 4.137 4.340 0.002 0.000 0.209 577 L C 3.098 179.877 176.870 -0.153 0.000 1.083 577 L CA 1.130 55.903 54.840 -0.113 0.000 0.752 577 L CB -0.595 41.403 42.059 -0.100 0.000 0.899 577 L HN 0.496 nan 8.230 nan 0.000 0.433 578 A N -0.031 122.672 122.820 -0.196 0.000 1.872 578 A HA -0.154 4.167 4.320 0.002 0.000 0.214 578 A C 2.275 179.595 177.584 -0.440 0.000 1.187 578 A CA 1.300 53.150 52.037 -0.311 0.000 0.614 578 A CB -0.308 18.505 19.000 -0.311 0.000 0.826 578 A HN 0.291 nan 8.150 nan 0.000 0.442 579 M N -1.051 118.331 119.600 -0.364 0.000 2.098 579 M HA -0.008 4.474 4.480 0.002 0.000 0.262 579 M C 0.778 176.948 176.300 -0.217 0.000 1.072 579 M CA 1.100 56.198 55.300 -0.336 0.000 1.133 579 M CB -0.258 32.234 32.600 -0.181 0.000 1.344 579 M HN 0.400 nan 8.290 nan 0.000 0.414 580 N N 1.011 119.621 118.700 -0.150 0.000 2.682 580 N HA 0.091 4.832 4.740 0.002 0.000 0.252 580 N C 0.055 175.508 175.510 -0.095 0.000 1.081 580 N CA 0.031 53.016 53.050 -0.108 0.000 0.844 580 N CB 1.214 39.658 38.487 -0.072 0.000 1.167 580 N HN 0.227 nan 8.380 nan 0.000 0.523 581 E N 0.808 120.946 120.200 -0.102 0.000 2.106 581 E HA -0.153 4.198 4.350 0.002 0.000 0.192 581 E C 1.700 178.267 176.600 -0.054 0.000 0.984 581 E CA 1.229 57.581 56.400 -0.080 0.000 0.806 581 E CB 0.311 29.960 29.700 -0.084 0.000 0.750 581 E HN 0.681 nan 8.360 nan 0.000 0.458 582 S N 0.487 116.157 115.700 -0.049 0.000 2.374 582 S HA -0.272 4.199 4.470 0.002 0.000 0.227 582 S C 1.949 176.533 174.600 -0.027 0.000 1.037 582 S CA 1.302 59.482 58.200 -0.033 0.000 1.024 582 S CB -0.387 62.795 63.200 -0.030 0.000 0.861 582 S HN 0.287 nan 8.310 nan 0.000 0.456 583 Q N 0.362 120.144 119.800 -0.031 0.000 2.020 583 Q HA 0.067 4.408 4.340 0.002 0.000 0.198 583 Q C 2.339 178.326 176.000 -0.023 0.000 0.974 583 Q CA 1.332 57.120 55.803 -0.025 0.000 0.829 583 Q CB -0.290 28.432 28.738 -0.027 0.000 0.894 583 Q HN 0.519 nan 8.270 nan 0.000 0.433 584 I N -0.066 120.486 120.570 -0.029 0.000 2.423 584 I HA -0.228 3.943 4.170 0.002 0.000 0.254 584 I C 1.821 177.928 176.117 -0.017 0.000 1.151 584 I CA 1.616 62.900 61.300 -0.025 0.000 1.421 584 I CB -0.507 37.472 38.000 -0.036 0.000 1.079 584 I HN 0.353 nan 8.210 nan 0.000 0.431 585 M N -0.924 118.666 119.600 -0.016 0.000 2.300 585 M HA 0.112 4.593 4.480 0.002 0.000 0.313 585 M C 0.723 177.021 176.300 -0.004 0.000 0.988 585 M CA -0.274 55.021 55.300 -0.009 0.000 1.012 585 M CB 0.779 33.373 32.600 -0.010 0.000 1.586 585 M HN 0.060 nan 8.290 nan 0.000 0.562 611 T N 2.396 117.086 114.554 0.226 0.000 2.829 611 T HA 0.685 5.036 4.350 0.002 0.000 0.280 611 T C -0.010 174.887 174.700 0.327 0.000 0.999 611 T CA -0.452 61.791 62.100 0.239 0.000 0.983 611 T CB 1.220 70.145 68.868 0.096 0.000 0.968 611 T HN 0.165 nan 8.240 nan 0.000 0.446 612 I N 3.800 124.413 120.570 0.072 0.000 2.404 612 I HA 0.385 4.556 4.170 0.002 0.000 0.293 612 I C -2.513 173.454 176.117 -0.250 0.000 0.992 612 I CA -2.975 58.276 61.300 -0.081 0.000 1.149 612 I CB 1.871 39.780 38.000 -0.153 0.000 1.315 612 I HN 0.298 nan 8.210 nan 0.000 0.446 613 P HA 0.191 nan 4.420 nan 0.000 0.282 613 P C 0.409 177.728 177.300 0.032 0.000 1.274 613 P CA -0.314 62.736 63.100 -0.083 0.000 0.770 613 P CB 0.277 31.981 31.700 0.006 0.000 0.867 614 F N 2.027 122.041 119.950 0.107 0.000 2.229 614 F HA -0.189 4.339 4.527 0.002 0.000 0.300 614 F C 1.057 177.010 175.800 0.254 0.000 1.043 614 F CA 1.494 59.608 58.000 0.191 0.000 1.339 614 F CB -0.510 38.573 39.000 0.138 0.000 1.076 614 F HN 0.257 nan 8.300 nan 0.000 0.518 615 L N 1.091 122.540 121.223 0.376 0.000 2.427 615 L HA 0.345 4.687 4.340 0.002 0.000 0.264 615 L C -0.544 176.481 176.870 0.260 0.000 0.989 615 L CA -0.599 54.414 54.840 0.288 0.000 0.865 615 L CB 0.981 43.229 42.059 0.314 0.000 1.209 615 L HN 0.085 nan 8.230 nan 0.000 0.430 616 H N 2.754 121.885 119.070 0.102 0.000 2.895 616 H HA 0.627 5.184 4.556 0.002 0.000 0.373 616 H C -1.157 174.218 175.328 0.078 0.000 1.174 616 H CA -0.987 55.072 56.048 0.018 0.000 1.144 616 H CB 1.920 31.466 29.762 -0.360 0.000 1.793 616 H HN 0.298 nan 8.280 nan 0.000 0.551 617 L N 0.992 122.341 121.223 0.211 0.000 2.567 617 L HA 0.600 4.941 4.340 0.002 0.000 0.238 617 L C 0.536 177.563 176.870 0.260 0.000 1.168 617 L CA -0.938 54.005 54.840 0.172 0.000 0.817 617 L CB 0.561 42.717 42.059 0.162 0.000 1.409 617 L HN 0.588 nan 8.230 nan 0.000 0.502 618 R N -0.333 120.316 120.500 0.248 0.000 2.795 618 R HA 0.563 4.904 4.340 0.002 0.000 0.268 618 R C -1.338 175.174 176.300 0.354 0.000 1.041 618 R CA -1.001 55.258 56.100 0.265 0.000 0.927 618 R CB 2.583 32.932 30.300 0.082 0.000 1.235 618 R HN 0.421 nan 8.270 nan 0.000 0.463 619 K N 0.813 121.354 120.400 0.236 0.000 2.480 619 K HA 0.383 4.704 4.320 0.002 0.000 0.258 619 K C -1.215 175.250 176.600 -0.226 0.000 0.990 619 K CA -0.753 55.585 56.287 0.084 0.000 0.857 619 K CB 2.209 34.729 32.500 0.034 0.000 1.384 619 K HN 0.298 nan 8.250 nan 0.000 0.446 620 K N 1.706 121.797 120.400 -0.516 0.000 2.205 620 K HA 0.095 4.416 4.320 0.002 0.000 0.279 620 K C -0.528 175.871 176.600 -0.335 0.000 1.027 620 K CA -0.541 55.337 56.287 -0.683 0.000 0.932 620 K CB 1.046 33.023 32.500 -0.871 0.000 1.032 620 K HN 0.528 nan 8.250 nan 0.000 0.466 621 D N 1.864 122.111 120.400 -0.255 0.000 2.371 621 D HA -0.026 4.615 4.640 0.002 0.000 0.242 621 D C 0.931 177.177 176.300 -0.089 0.000 1.218 621 D CA 0.288 54.223 54.000 -0.107 0.000 0.945 621 D CB 0.879 41.666 40.800 -0.022 0.000 1.137 621 D HN 0.461 nan 8.370 nan 0.000 0.464 622 E N 0.226 120.418 120.200 -0.012 0.000 2.130 622 E HA -0.198 4.153 4.350 0.002 0.000 0.196 622 E C 0.395 176.871 176.600 -0.206 0.000 0.998 622 E CA 0.933 57.270 56.400 -0.105 0.000 0.806 622 E CB -0.171 29.488 29.700 -0.068 0.000 0.738 622 E HN 0.407 nan 8.360 nan 0.000 0.459 623 F N 1.165 121.042 119.950 -0.121 0.000 2.573 623 F HA 0.266 4.795 4.527 0.002 0.000 0.349 623 F C 1.143 176.864 175.800 -0.132 0.000 1.213 623 F CA -0.622 57.315 58.000 -0.104 0.000 1.300 623 F CB 0.458 39.410 39.000 -0.081 0.000 1.661 623 F HN -0.111 nan 8.300 nan 0.000 0.616 624 G N 2.230 110.990 108.800 -0.068 0.000 1.969 624 G HA2 -0.304 3.657 3.960 0.002 0.000 0.238 624 G HA3 -0.304 3.657 3.960 0.002 0.000 0.238 624 G C -0.111 174.676 174.900 -0.189 0.000 0.690 624 G CA 0.200 45.200 45.100 -0.168 0.000 0.979 624 G HN 0.469 nan 8.290 nan 0.000 0.375 625 N N -0.356 118.194 118.700 -0.250 0.000 2.284 625 N HA 0.366 5.108 4.740 0.002 0.000 0.300 625 N C -0.729 174.571 175.510 -0.351 0.000 1.047 625 N CA -0.781 52.150 53.050 -0.198 0.000 0.821 625 N CB 1.180 39.620 38.487 -0.078 0.000 1.337 625 N HN 0.363 nan 8.380 nan 0.000 0.482 626 W N 1.512 122.742 121.300 -0.118 0.000 2.318 626 W HA 0.291 4.952 4.660 0.002 0.000 0.362 626 W C 0.276 176.652 176.519 -0.238 0.000 0.978 626 W CA -0.483 56.703 57.345 -0.265 0.000 1.509 626 W CB 0.345 29.451 29.460 -0.590 0.000 1.437 626 W HN 0.209 nan 8.180 nan 0.000 0.361 627 E N 1.959 122.162 120.200 0.004 0.000 2.179 627 E HA 0.072 4.423 4.350 0.002 0.000 0.275 627 E C -0.672 175.980 176.600 0.087 0.000 0.945 627 E CA -1.453 54.952 56.400 0.008 0.000 0.792 627 E CB 1.342 31.016 29.700 -0.044 0.000 1.125 627 E HN 0.157 nan 8.360 nan 0.000 0.397 628 Y N 2.682 122.937 120.300 -0.075 0.000 2.852 628 Y HA -0.072 4.479 4.550 0.002 0.000 0.343 628 Y C -0.357 175.513 175.900 -0.050 0.000 1.280 628 Y CA -0.172 57.883 58.100 -0.075 0.000 1.604 628 Y CB -0.020 38.284 38.460 -0.260 0.000 1.216 628 Y HN 0.292 nan 8.280 nan 0.000 0.541 629 S N 7.084 123.028 115.700 0.407 0.000 2.461 629 S HA 0.314 4.785 4.470 0.002 0.000 0.322 629 S C 0.839 175.598 174.600 0.264 0.000 1.063 629 S CA -0.806 57.485 58.200 0.151 0.000 1.120 629 S CB 0.443 63.732 63.200 0.149 0.000 0.968 629 S HN 0.842 nan 8.310 nan 0.000 0.467 630 K N 3.659 124.043 120.400 -0.027 0.000 2.097 630 K HA -0.111 4.210 4.320 0.002 0.000 0.206 630 K C 1.769 178.471 176.600 0.170 0.000 1.049 630 K CA 1.259 57.642 56.287 0.161 0.000 0.933 630 K CB -0.049 32.430 32.500 -0.036 0.000 0.717 630 K HN 0.638 nan 8.250 nan 0.000 0.442 631 K N 0.860 121.320 120.400 0.100 0.000 2.020 631 K HA -0.173 4.149 4.320 0.002 0.000 0.212 631 K C 2.235 178.916 176.600 0.134 0.000 1.050 631 K CA 1.489 57.834 56.287 0.097 0.000 0.929 631 K CB -0.328 32.213 32.500 0.068 0.000 0.714 631 K HN 0.096 nan 8.250 nan 0.000 0.443 632 L N 0.599 121.921 121.223 0.164 0.000 2.007 632 L HA -0.124 4.217 4.340 0.002 0.000 0.205 632 L C 2.538 179.554 176.870 0.243 0.000 1.073 632 L CA 1.329 56.280 54.840 0.185 0.000 0.744 632 L CB -1.059 41.110 42.059 0.182 0.000 0.898 632 L HN 0.183 nan 8.230 nan 0.000 0.435 633 T N 0.167 114.899 114.554 0.297 0.000 2.718 633 T HA -0.239 4.113 4.350 0.002 0.000 0.266 633 T C 1.702 176.554 174.700 0.254 0.000 1.033 633 T CA 1.479 63.776 62.100 0.329 0.000 1.151 633 T CB -0.799 68.284 68.868 0.358 0.000 0.853 633 T HN 0.621 nan 8.240 nan 0.000 0.466 634 G N 1.253 110.178 108.800 0.208 0.000 2.616 634 G HA2 -0.140 3.821 3.960 0.002 0.000 0.215 634 G HA3 -0.140 3.821 3.960 0.002 0.000 0.215 634 G C 1.443 176.418 174.900 0.125 0.000 1.284 634 G CA 0.618 45.802 45.100 0.139 0.000 0.823 634 G HN 0.528 nan 8.290 nan 0.000 0.569 635 I N -0.537 120.114 120.570 0.135 0.000 2.367 635 I HA -0.299 3.872 4.170 0.002 0.000 0.256 635 I C 2.361 178.579 176.117 0.169 0.000 1.132 635 I CA 1.970 63.347 61.300 0.127 0.000 1.397 635 I CB -0.076 37.995 38.000 0.118 0.000 1.074 635 I HN 0.373 nan 8.210 nan 0.000 0.435 636 Y N 1.203 121.547 120.300 0.073 0.000 2.109 636 Y HA -0.152 4.399 4.550 0.002 0.000 0.281 636 Y C 2.129 178.061 175.900 0.054 0.000 1.113 636 Y CA 1.621 59.759 58.100 0.063 0.000 1.098 636 Y CB -1.007 37.495 38.460 0.070 0.000 0.996 636 Y HN 0.068 nan 8.280 nan 0.000 0.485 637 L N 0.686 121.701 121.223 -0.348 0.000 2.197 637 L HA -0.286 4.055 4.340 0.002 0.000 0.215 637 L C 1.999 178.737 176.870 -0.220 0.000 1.095 637 L CA 1.557 56.119 54.840 -0.463 0.000 0.764 637 L CB -0.563 41.385 42.059 -0.185 0.000 0.897 637 L HN 0.334 nan 8.230 nan 0.000 0.436 638 D N -0.448 119.901 120.400 -0.086 0.000 2.077 638 D HA -0.137 4.505 4.640 0.002 0.000 0.196 638 D C 2.083 178.369 176.300 -0.023 0.000 0.986 638 D CA 1.561 55.546 54.000 -0.025 0.000 0.829 638 D CB -0.500 40.311 40.800 0.019 0.000 0.983 638 D HN 0.331 nan 8.370 nan 0.000 0.453 639 G N 1.003 109.799 108.800 -0.006 0.000 2.440 639 G HA2 -0.237 3.724 3.960 0.002 0.000 0.218 639 G HA3 -0.237 3.724 3.960 0.002 0.000 0.218 639 G C 1.579 176.470 174.900 -0.016 0.000 1.154 639 G CA 0.630 45.740 45.100 0.017 0.000 0.767 639 G HN 0.222 nan 8.290 nan 0.000 0.552 640 L N 0.637 121.779 121.223 -0.136 0.000 2.081 640 L HA -0.075 4.266 4.340 0.002 0.000 0.212 640 L C 2.450 179.342 176.870 0.037 0.000 1.080 640 L CA 2.291 57.005 54.840 -0.211 0.000 0.754 640 L CB -0.425 41.309 42.059 -0.541 0.000 0.893 640 L HN 0.327 nan 8.230 nan 0.000 0.433 641 E N -0.726 119.491 120.200 0.028 0.000 2.051 641 E HA -0.120 4.231 4.350 0.002 0.000 0.189 641 E C 2.088 178.746 176.600 0.096 0.000 0.979 641 E CA 0.932 57.390 56.400 0.096 0.000 0.803 641 E CB -0.018 29.700 29.700 0.031 0.000 0.761 641 E HN 0.547 nan 8.360 nan 0.000 0.451 642 A N 1.398 124.249 122.820 0.052 0.000 1.986 642 A HA -0.176 4.145 4.320 0.002 0.000 0.220 642 A C 2.333 179.947 177.584 0.050 0.000 1.171 642 A CA 2.011 54.071 52.037 0.038 0.000 0.640 642 A CB -0.568 18.446 19.000 0.023 0.000 0.811 642 A HN 0.361 nan 8.150 nan 0.000 0.451 643 A N -0.152 122.725 122.820 0.096 0.000 1.855 643 A HA 0.210 4.531 4.320 0.002 0.000 0.215 643 A C 2.493 180.147 177.584 0.117 0.000 1.191 643 A CA 1.904 54.014 52.037 0.123 0.000 0.613 643 A CB -1.116 18.022 19.000 0.231 0.000 0.829 643 A HN 1.161 nan 8.150 nan 0.000 0.442 644 A N -0.810 122.158 122.820 0.246 0.000 2.131 644 A HA -0.115 4.206 4.320 0.002 0.000 0.220 644 A C 2.195 179.786 177.584 0.011 0.000 1.158 644 A CA 1.483 53.584 52.037 0.107 0.000 0.665 644 A CB -0.339 18.806 19.000 0.241 0.000 0.795 644 A HN 0.571 nan 8.150 nan 0.000 0.460 645 R N -0.470 120.044 120.500 0.022 0.000 1.981 645 R HA 0.025 4.367 4.340 0.002 0.000 0.207 645 R C 2.025 178.307 176.300 -0.030 0.000 1.375 645 R CA 1.230 57.327 56.100 -0.005 0.000 1.068 645 R CB -0.432 29.871 30.300 0.005 0.000 0.890 645 R HN 0.546 nan 8.270 nan 0.000 0.481 646 S N 0.073 115.758 115.700 -0.024 0.000 2.634 646 S HA 0.280 4.751 4.470 0.002 0.000 0.221 646 S C 0.836 175.407 174.600 -0.050 0.000 0.952 646 S CA -0.032 58.148 58.200 -0.033 0.000 0.930 646 S CB 0.515 63.703 63.200 -0.021 0.000 0.780 646 S HN 0.737 nan 8.310 nan 0.000 0.498 647 G N 0.935 109.693 108.800 -0.069 0.000 2.642 647 G HA2 0.021 3.982 3.960 0.002 0.000 0.231 647 G HA3 0.021 3.982 3.960 0.002 0.000 0.231 647 G C -1.107 173.747 174.900 -0.077 0.000 1.338 647 G CA -0.210 44.828 45.100 -0.104 0.000 0.883 647 G HN 1.290 nan 8.290 nan 0.000 0.570 648 L N -0.971 120.197 121.223 -0.091 0.000 2.641 648 L HA 0.744 5.085 4.340 0.002 0.000 0.261 648 L C -0.044 176.665 176.870 -0.268 0.000 0.926 648 L CA 0.454 55.202 54.840 -0.154 0.000 0.917 648 L CB 1.782 43.783 42.059 -0.097 0.000 1.361 648 L HN 1.359 nan 8.230 nan 0.000 0.417 649 T N 3.556 117.911 114.554 -0.331 0.000 2.925 649 T HA 0.627 4.978 4.350 0.002 0.000 0.285 649 T C -0.129 174.278 174.700 -0.488 0.000 1.021 649 T CA 0.005 61.933 62.100 -0.287 0.000 1.042 649 T CB 0.570 69.370 68.868 -0.114 0.000 1.037 649 T HN 0.412 nan 8.240 nan 0.000 0.481 650 F N 1.215 121.183 119.950 0.031 0.000 2.735 650 F HA 0.395 4.924 4.527 0.002 0.000 0.308 650 F C 1.149 176.947 175.800 -0.003 0.000 1.112 650 F CA -0.635 57.377 58.000 0.020 0.000 1.235 650 F CB 0.181 39.158 39.000 -0.038 0.000 1.027 650 F HN 0.507 nan 8.300 nan 0.000 0.528 651 Q N 0.737 120.598 119.800 0.101 0.000 2.485 651 Q HA 0.182 4.523 4.340 0.002 0.000 0.348 651 Q C 1.477 177.477 176.000 -0.000 0.000 1.097 651 Q CA 1.570 57.397 55.803 0.041 0.000 1.079 651 Q CB 0.243 28.988 28.738 0.013 0.000 1.108 651 Q HN 0.721 nan 8.270 nan 0.000 0.400 652 G N 3.007 111.770 108.800 -0.061 0.000 2.179 652 G HA2 -0.239 3.722 3.960 0.002 0.000 0.260 652 G HA3 -0.239 3.722 3.960 0.002 0.000 0.260 652 G C -0.280 174.430 174.900 -0.317 0.000 0.977 652 G CA 0.263 45.260 45.100 -0.171 0.000 0.641 652 G HN 0.515 nan 8.290 nan 0.000 0.533 653 K N 1.048 121.346 120.400 -0.170 0.000 2.174 653 K HA 0.488 4.809 4.320 0.002 0.000 0.275 653 K C -0.267 176.162 176.600 -0.285 0.000 1.015 653 K CA -0.425 55.775 56.287 -0.146 0.000 0.933 653 K CB 0.792 33.429 32.500 0.229 0.000 1.025 653 K HN 0.394 nan 8.250 nan 0.000 0.463 654 H N 0.003 118.975 119.070 -0.164 0.000 2.459 654 H HA 0.579 5.137 4.556 0.002 0.000 0.332 654 H C -0.572 174.708 175.328 -0.079 0.000 1.094 654 H CA -0.769 55.076 56.048 -0.339 0.000 1.224 654 H CB 1.833 31.305 29.762 -0.484 0.000 1.449 654 H HN 0.668 nan 8.280 nan 0.000 0.484 655 A N 3.043 125.899 122.820 0.060 0.000 2.520 655 A HA 0.450 4.771 4.320 0.002 0.000 0.298 655 A C -1.366 176.292 177.584 0.123 0.000 1.051 655 A CA -0.670 51.440 52.037 0.122 0.000 0.690 655 A CB 1.736 20.761 19.000 0.041 0.000 1.281 655 A HN 0.494 nan 8.150 nan 0.000 0.402 656 L N 2.114 123.406 121.223 0.115 0.000 2.307 656 L HA 0.873 5.214 4.340 0.002 0.000 0.282 656 L C -0.549 176.317 176.870 -0.006 0.000 1.051 656 L CA -0.098 54.782 54.840 0.066 0.000 0.804 656 L CB 0.795 42.886 42.059 0.052 0.000 1.197 656 L HN 0.710 nan 8.230 nan 0.000 0.431 657 M N 4.851 124.427 119.600 -0.040 0.000 2.165 657 M HA 0.349 4.831 4.480 0.002 0.000 0.283 657 M C -0.761 175.512 176.300 -0.044 0.000 0.978 657 M CA -0.530 54.728 55.300 -0.071 0.000 0.948 657 M CB 2.181 34.717 32.600 -0.106 0.000 1.599 657 M HN 0.778 nan 8.290 nan 0.000 0.450 658 T N -1.010 113.544 114.554 -0.000 0.000 2.823 658 T HA 0.761 5.112 4.350 0.002 0.000 0.279 658 T C 0.808 175.593 174.700 0.141 0.000 0.998 658 T CA 0.326 62.467 62.100 0.068 0.000 0.994 658 T CB 1.751 70.678 68.868 0.099 0.000 0.960 658 T HN 1.033 nan 8.240 nan 0.000 0.448 659 G N 1.374 110.267 108.800 0.155 0.000 2.134 659 G HA2 0.001 3.962 3.960 0.002 0.000 0.209 659 G HA3 0.001 3.962 3.960 0.002 0.000 0.209 659 G C 0.514 175.507 174.900 0.155 0.000 0.993 659 G CA -0.224 44.983 45.100 0.179 0.000 0.669 659 G HN 1.575 nan 8.290 nan 0.000 0.519 660 A N 0.573 123.474 122.820 0.134 0.000 2.840 660 A HA 0.662 4.983 4.320 0.002 0.000 0.269 660 A C 1.507 179.204 177.584 0.187 0.000 1.439 660 A CA 1.144 53.270 52.037 0.148 0.000 1.083 660 A CB -0.537 18.561 19.000 0.164 0.000 1.019 660 A HN 1.744 nan 8.150 nan 0.000 0.607 661 G N -0.469 108.392 108.800 0.101 0.000 2.664 661 G HA2 0.444 4.405 3.960 0.002 0.000 0.242 661 G HA3 0.444 4.405 3.960 0.002 0.000 0.242 661 G C 0.552 175.359 174.900 -0.155 0.000 1.225 661 G CA 0.064 45.151 45.100 -0.020 0.000 0.849 661 G HN 1.073 nan 8.290 nan 0.000 0.581 662 A N -0.336 122.198 122.820 -0.476 0.000 2.567 662 A HA 0.509 4.830 4.320 0.002 0.000 0.240 662 A C 1.622 179.120 177.584 -0.142 0.000 1.053 662 A CA 1.104 52.802 52.037 -0.565 0.000 0.755 662 A CB -0.532 17.946 19.000 -0.871 0.000 0.978 662 A HN 2.656 nan 8.150 nan 0.000 0.507 663 G N 1.789 110.598 108.800 0.015 0.000 2.273 663 G HA2 -0.029 3.932 3.960 0.002 0.000 0.280 663 G HA3 -0.029 3.932 3.960 0.002 0.000 0.280 663 G C 0.328 175.254 174.900 0.044 0.000 1.047 663 G CA 0.962 46.086 45.100 0.040 0.000 0.869 663 G HN 2.269 nan 8.290 nan 0.000 0.502 664 S N -1.624 114.112 115.700 0.059 0.000 2.677 664 S HA 0.759 5.230 4.470 0.002 0.000 0.304 664 S C 1.461 176.125 174.600 0.106 0.000 1.108 664 S CA -0.442 57.808 58.200 0.083 0.000 0.944 664 S CB 1.794 65.048 63.200 0.090 0.000 1.127 664 S HN 0.218 nan 8.310 nan 0.000 0.511 665 I N 1.160 121.819 120.570 0.149 0.000 2.118 665 I HA -0.132 4.039 4.170 0.002 0.000 0.241 665 I C 2.768 178.938 176.117 0.088 0.000 1.070 665 I CA 1.843 63.244 61.300 0.168 0.000 1.327 665 I CB -1.166 37.007 38.000 0.289 0.000 1.034 665 I HN 0.948 nan 8.210 nan 0.000 0.405 666 G N 0.565 109.417 108.800 0.087 0.000 2.503 666 G HA2 -0.311 3.650 3.960 0.002 0.000 0.221 666 G HA3 -0.311 3.650 3.960 0.002 0.000 0.221 666 G C 1.843 176.716 174.900 -0.045 0.000 1.131 666 G CA 1.026 46.056 45.100 -0.116 0.000 0.756 666 G HN 0.533 nan 8.290 nan 0.000 0.572 667 A N 0.528 123.376 122.820 0.046 0.000 1.883 667 A HA -0.060 4.261 4.320 0.002 0.000 0.217 667 A C 2.287 179.886 177.584 0.024 0.000 1.186 667 A CA 2.030 54.118 52.037 0.084 0.000 0.624 667 A CB -0.308 18.766 19.000 0.123 0.000 0.822 667 A HN 0.325 nan 8.150 nan 0.000 0.444 668 E N -0.161 120.044 120.200 0.007 0.000 2.028 668 E HA -0.104 4.247 4.350 0.002 0.000 0.191 668 E C 2.257 178.795 176.600 -0.104 0.000 0.988 668 E CA 1.343 57.728 56.400 -0.023 0.000 0.799 668 E CB -0.817 28.898 29.700 0.025 0.000 0.755 668 E HN 0.363 nan 8.360 nan 0.000 0.447 669 V N 2.180 122.014 119.914 -0.133 0.000 2.380 669 V HA -0.273 3.848 4.120 0.002 0.000 0.251 669 V C 2.535 178.464 176.094 -0.275 0.000 1.063 669 V CA 1.645 63.800 62.300 -0.242 0.000 1.055 669 V CB -0.728 30.915 31.823 -0.301 0.000 0.657 669 V HN 0.154 nan 8.190 nan 0.000 0.455 670 L N 0.619 121.733 121.223 -0.181 0.000 1.955 670 L HA -0.257 4.084 4.340 0.002 0.000 0.213 670 L C 2.611 179.404 176.870 -0.129 0.000 1.072 670 L CA 2.174 56.937 54.840 -0.127 0.000 0.755 670 L CB -0.914 41.147 42.059 0.003 0.000 0.888 670 L HN 0.389 nan 8.230 nan 0.000 0.432 671 Q N -0.317 119.422 119.800 -0.102 0.000 2.197 671 Q HA -0.185 4.156 4.340 0.002 0.000 0.207 671 Q C 2.054 177.967 176.000 -0.145 0.000 0.984 671 Q CA 1.343 57.085 55.803 -0.102 0.000 0.869 671 Q CB -0.829 27.854 28.738 -0.091 0.000 0.906 671 Q HN 0.764 nan 8.270 nan 0.000 0.426 672 G N 1.766 110.399 108.800 -0.279 0.000 2.639 672 G HA2 -0.267 3.694 3.960 0.002 0.000 0.216 672 G HA3 -0.267 3.694 3.960 0.002 0.000 0.216 672 G C 1.297 176.069 174.900 -0.212 0.000 1.267 672 G CA 1.065 45.870 45.100 -0.491 0.000 0.801 672 G HN 0.210 nan 8.290 nan 0.000 0.592 673 L N 0.416 121.433 121.223 -0.345 0.000 2.187 673 L HA -0.001 4.340 4.340 0.002 0.000 0.213 673 L C 2.755 179.586 176.870 -0.064 0.000 1.100 673 L CA 0.656 55.286 54.840 -0.350 0.000 0.765 673 L CB -0.383 41.302 42.059 -0.623 0.000 0.904 673 L HN 0.166 nan 8.230 nan 0.000 0.437 674 L N -1.692 119.496 121.223 -0.058 0.000 2.217 674 L HA -0.122 4.220 4.340 0.002 0.000 0.211 674 L C 2.444 179.316 176.870 0.004 0.000 1.107 674 L CA 0.714 55.553 54.840 -0.002 0.000 0.783 674 L CB -0.292 41.765 42.059 -0.003 0.000 0.919 674 L HN 0.205 nan 8.230 nan 0.000 0.442 675 S N -0.476 115.244 115.700 0.033 0.000 2.436 675 S HA 0.034 4.505 4.470 0.002 0.000 0.228 675 S C 1.142 175.810 174.600 0.113 0.000 1.014 675 S CA 0.510 58.750 58.200 0.067 0.000 0.950 675 S CB -0.145 63.123 63.200 0.113 0.000 0.784 675 S HN 0.499 nan 8.310 nan 0.000 0.504 676 G N 0.006 108.927 108.800 0.202 0.000 2.616 676 G HA2 0.434 4.395 3.960 0.002 0.000 0.268 676 G HA3 0.434 4.395 3.960 0.002 0.000 0.268 676 G C 0.652 175.637 174.900 0.142 0.000 1.213 676 G CA -0.216 45.007 45.100 0.205 0.000 0.926 676 G HN 0.329 nan 8.290 nan 0.000 0.523 677 G N -0.655 108.211 108.800 0.110 0.000 3.375 677 G HA2 0.437 4.398 3.960 0.002 0.000 0.247 677 G HA3 0.437 4.398 3.960 0.002 0.000 0.247 677 G C 0.607 175.544 174.900 0.062 0.000 1.343 677 G CA 0.632 45.776 45.100 0.073 0.000 1.368 677 G HN 0.880 nan 8.290 nan 0.000 0.549 678 A N 0.601 123.466 122.820 0.074 0.000 2.366 678 A HA 0.585 4.907 4.320 0.002 0.000 0.272 678 A C 0.343 177.925 177.584 -0.002 0.000 1.135 678 A CA -0.439 51.604 52.037 0.010 0.000 0.804 678 A CB 0.647 19.616 19.000 -0.050 0.000 1.064 678 A HN 0.339 nan 8.150 nan 0.000 0.499 679 K N 1.462 121.816 120.400 -0.077 0.000 2.234 679 K HA 0.501 4.823 4.320 0.002 0.000 0.277 679 K C -0.609 175.864 176.600 -0.211 0.000 1.038 679 K CA -0.369 55.840 56.287 -0.130 0.000 0.888 679 K CB 1.409 33.715 32.500 -0.323 0.000 1.091 679 K HN 0.602 nan 8.250 nan 0.000 0.467 680 V N 0.759 120.704 119.914 0.052 0.000 2.876 680 V HA 0.561 4.682 4.120 0.002 0.000 0.312 680 V C -0.566 175.749 176.094 0.369 0.000 1.085 680 V CA -1.135 61.263 62.300 0.162 0.000 0.945 680 V CB 1.840 33.685 31.823 0.038 0.000 1.017 680 V HN 0.756 nan 8.190 nan 0.000 0.428 681 I N 3.536 124.333 120.570 0.378 0.000 2.330 681 I HA 0.636 4.807 4.170 0.002 0.000 0.289 681 I C -0.837 175.295 176.117 0.025 0.000 1.001 681 I CA -0.583 60.816 61.300 0.166 0.000 1.193 681 I CB 1.297 39.338 38.000 0.067 0.000 1.345 681 I HN 0.615 nan 8.210 nan 0.000 0.461 682 V N 5.937 125.817 119.914 -0.056 0.000 2.483 682 V HA 0.424 4.545 4.120 0.002 0.000 0.295 682 V C 0.335 176.342 176.094 -0.145 0.000 1.035 682 V CA -0.501 61.718 62.300 -0.135 0.000 0.896 682 V CB 1.865 33.516 31.823 -0.287 0.000 0.986 682 V HN 0.804 nan 8.190 nan 0.000 0.447 683 T N 0.775 115.282 114.554 -0.078 0.000 2.829 683 T HA 0.600 4.952 4.350 0.002 0.000 0.282 683 T C -0.289 174.470 174.700 0.098 0.000 0.990 683 T CA -0.489 61.628 62.100 0.028 0.000 1.028 683 T CB 1.485 70.387 68.868 0.056 0.000 0.951 683 T HN 0.574 nan 8.240 nan 0.000 0.460 684 T N 1.833 116.478 114.554 0.152 0.000 2.841 684 T HA 0.444 4.796 4.350 0.002 0.000 0.285 684 T C 1.056 175.883 174.700 0.210 0.000 0.991 684 T CA -0.523 61.678 62.100 0.168 0.000 0.966 684 T CB 1.500 70.444 68.868 0.125 0.000 0.962 684 T HN 0.859 nan 8.240 nan 0.000 0.438 685 S N 3.456 119.249 115.700 0.155 0.000 2.575 685 S HA 0.181 4.652 4.470 0.002 0.000 0.215 685 S C 0.748 175.402 174.600 0.091 0.000 0.966 685 S CA -0.247 58.014 58.200 0.102 0.000 0.911 685 S CB 0.059 63.288 63.200 0.048 0.000 0.780 685 S HN 0.614 nan 8.310 nan 0.000 0.514 686 R N 0.738 121.307 120.500 0.115 0.000 2.782 686 R HA 0.268 4.609 4.340 0.002 0.000 0.293 686 R C -1.230 175.166 176.300 0.160 0.000 1.333 686 R CA -0.433 55.728 56.100 0.102 0.000 1.479 686 R CB 0.030 30.359 30.300 0.047 0.000 1.306 686 R HN 0.473 nan 8.270 nan 0.000 0.654 687 F N 2.127 122.099 119.950 0.036 0.000 2.516 687 F HA 0.048 4.576 4.527 0.002 0.000 0.351 687 F C -0.017 175.805 175.800 0.036 0.000 1.208 687 F CA 0.348 58.375 58.000 0.046 0.000 1.073 687 F CB 0.345 39.362 39.000 0.028 0.000 1.203 687 F HN 0.118 nan 8.300 nan 0.000 0.602 688 S N 5.437 121.261 115.700 0.206 0.000 2.748 688 S HA 0.384 4.855 4.470 0.002 0.000 0.299 688 S C 1.115 175.799 174.600 0.140 0.000 1.119 688 S CA -0.976 57.336 58.200 0.188 0.000 0.997 688 S CB 1.687 64.934 63.200 0.078 0.000 1.223 688 S HN 0.774 nan 8.310 nan 0.000 0.541 689 R N 0.570 121.138 120.500 0.113 0.000 2.062 689 R HA -0.018 4.324 4.340 0.002 0.000 0.226 689 R C 2.304 178.618 176.300 0.025 0.000 1.125 689 R CA 1.089 57.233 56.100 0.075 0.000 0.966 689 R CB -0.394 29.948 30.300 0.069 0.000 0.861 689 R HN 0.722 nan 8.270 nan 0.000 0.433 690 Q N 0.544 120.355 119.800 0.019 0.000 2.096 690 Q HA -0.148 4.193 4.340 0.002 0.000 0.204 690 Q C 1.922 177.914 176.000 -0.012 0.000 0.982 690 Q CA 2.101 57.903 55.803 -0.001 0.000 0.850 690 Q CB 0.033 28.766 28.738 -0.008 0.000 0.901 690 Q HN 0.317 nan 8.270 nan 0.000 0.422 691 V N 0.503 120.397 119.914 -0.033 0.000 2.358 691 V HA -0.229 3.892 4.120 0.002 0.000 0.246 691 V C 2.389 178.521 176.094 0.064 0.000 1.047 691 V CA 2.088 64.363 62.300 -0.043 0.000 1.035 691 V CB -0.886 30.907 31.823 -0.050 0.000 0.658 691 V HN 0.436 nan 8.190 nan 0.000 0.452 692 T N -0.371 114.154 114.554 -0.049 0.000 2.652 692 T HA -0.236 4.116 4.350 0.002 0.000 0.267 692 T C 1.840 176.577 174.700 0.062 0.000 1.039 692 T CA 1.966 64.063 62.100 -0.005 0.000 1.153 692 T CB -0.232 68.606 68.868 -0.050 0.000 0.863 692 T HN 0.594 nan 8.240 nan 0.000 0.428 693 E N -0.311 119.890 120.200 0.001 0.000 2.038 693 E HA -0.170 4.181 4.350 0.002 0.000 0.195 693 E C 1.916 178.446 176.600 -0.116 0.000 1.000 693 E CA 1.350 57.704 56.400 -0.076 0.000 0.803 693 E CB -0.350 29.309 29.700 -0.067 0.000 0.750 693 E HN 0.610 nan 8.360 nan 0.000 0.448 694 Y N 0.777 120.955 120.300 -0.204 0.000 1.997 694 Y HA -0.398 4.153 4.550 0.002 0.000 0.265 694 Y C 2.054 177.763 175.900 -0.319 0.000 1.193 694 Y CA 2.216 60.144 58.100 -0.286 0.000 1.106 694 Y CB -0.746 37.490 38.460 -0.372 0.000 0.940 694 Y HN 0.094 nan 8.280 nan 0.000 0.494 695 Y N 0.336 120.630 120.300 -0.011 0.000 2.333 695 Y HA -0.303 4.248 4.550 0.002 0.000 0.290 695 Y C 2.740 178.373 175.900 -0.446 0.000 1.144 695 Y CA 1.444 59.451 58.100 -0.155 0.000 1.228 695 Y CB -0.582 37.919 38.460 0.068 0.000 0.985 695 Y HN 0.423 nan 8.280 nan 0.000 0.542 696 Q N 0.444 119.925 119.800 -0.531 0.000 2.020 696 Q HA -0.098 4.243 4.340 0.002 0.000 0.202 696 Q C 2.497 178.151 176.000 -0.576 0.000 0.982 696 Q CA 2.043 57.335 55.803 -0.852 0.000 0.838 696 Q CB -1.061 27.206 28.738 -0.785 0.000 0.899 696 Q HN 0.329 nan 8.270 nan 0.000 0.423 697 G N 1.444 109.951 108.800 -0.488 0.000 2.513 697 G HA2 -0.283 3.678 3.960 0.002 0.000 0.219 697 G HA3 -0.283 3.678 3.960 0.002 0.000 0.219 697 G C 1.486 176.131 174.900 -0.425 0.000 1.160 697 G CA 1.309 46.139 45.100 -0.451 0.000 0.767 697 G HN 0.418 nan 8.290 nan 0.000 0.571 698 I N -0.831 119.470 120.570 -0.447 0.000 2.058 698 I HA -0.247 3.924 4.170 0.002 0.000 0.235 698 I C 2.431 178.418 176.117 -0.216 0.000 1.053 698 I CA 1.806 62.907 61.300 -0.332 0.000 1.313 698 I CB -0.510 37.308 38.000 -0.303 0.000 1.039 698 I HN 0.238 nan 8.210 nan 0.000 0.396 699 Y N 1.560 121.695 120.300 -0.275 0.000 2.365 699 Y HA -0.278 4.273 4.550 0.002 0.000 0.287 699 Y C 2.366 178.132 175.900 -0.223 0.000 1.162 699 Y CA 1.300 59.293 58.100 -0.179 0.000 1.260 699 Y CB -0.202 38.189 38.460 -0.115 0.000 0.976 699 Y HN 0.196 nan 8.280 nan 0.000 0.548 700 A N -0.080 122.523 122.820 -0.362 0.000 2.014 700 A HA -0.077 4.244 4.320 0.002 0.000 0.218 700 A C 2.120 179.546 177.584 -0.263 0.000 1.163 700 A CA 1.477 53.193 52.037 -0.535 0.000 0.652 700 A CB -0.240 18.280 19.000 -0.799 0.000 0.808 700 A HN 0.529 nan 8.150 nan 0.000 0.449 701 R N -2.779 117.570 120.500 -0.251 0.000 2.446 701 R HA 0.208 4.550 4.340 0.002 0.000 0.254 701 R C 0.843 177.050 176.300 -0.155 0.000 0.918 701 R CA 0.528 56.525 56.100 -0.171 0.000 1.069 701 R CB 0.261 30.460 30.300 -0.169 0.000 1.194 701 R HN 0.513 nan 8.270 nan 0.000 0.534 702 C N -0.950 118.227 119.300 -0.205 0.000 3.294 702 C HA 0.270 4.731 4.460 0.002 0.000 0.441 702 C C 1.405 176.257 174.990 -0.231 0.000 1.364 702 C CA -0.518 58.400 59.018 -0.167 0.000 2.059 702 C CB 0.243 27.904 27.740 -0.133 0.000 2.925 702 C HN 0.478 nan 8.230 nan 0.000 0.633 703 G N 2.018 110.528 108.800 -0.483 0.000 2.428 703 G HA2 0.440 4.401 3.960 0.002 0.000 0.290 703 G HA3 0.440 4.401 3.960 0.002 0.000 0.290 703 G C 0.395 175.089 174.900 -0.342 0.000 0.996 703 G CA 0.733 45.386 45.100 -0.745 0.000 1.406 703 G HN 0.659 nan 8.290 nan 0.000 0.445 704 A N 3.518 126.251 122.820 -0.144 0.000 2.346 704 A HA 0.534 4.855 4.320 0.002 0.000 0.252 704 A C 1.117 178.706 177.584 0.008 0.000 1.089 704 A CA -0.624 51.389 52.037 -0.040 0.000 0.797 704 A CB 0.308 19.311 19.000 0.004 0.000 1.047 704 A HN 0.775 nan 8.150 nan 0.000 0.494 705 R N -0.401 120.123 120.500 0.040 0.000 2.566 705 R HA 0.172 4.513 4.340 0.002 0.000 0.273 705 R C 1.382 177.730 176.300 0.080 0.000 0.981 705 R CA 1.704 57.849 56.100 0.075 0.000 1.091 705 R CB -0.285 30.055 30.300 0.066 0.000 0.924 705 R HN 1.726 nan 8.270 nan 0.000 0.411 706 G N 1.974 110.839 108.800 0.108 0.000 2.253 706 G HA2 -0.360 3.601 3.960 0.002 0.000 0.251 706 G HA3 -0.360 3.601 3.960 0.002 0.000 0.251 706 G C 0.116 175.087 174.900 0.119 0.000 0.998 706 G CA 0.451 45.610 45.100 0.098 0.000 0.621 706 G HN 0.865 nan 8.290 nan 0.000 0.524 707 S N -0.594 115.198 115.700 0.152 0.000 2.600 707 S HA 0.631 5.102 4.470 0.002 0.000 0.265 707 S C -0.129 174.680 174.600 0.348 0.000 1.325 707 S CA 0.836 59.160 58.200 0.207 0.000 1.002 707 S CB 1.957 65.261 63.200 0.174 0.000 0.921 707 S HN 1.097 nan 8.310 nan 0.000 0.554 708 Q N 0.239 120.244 119.800 0.342 0.000 2.352 708 Q HA 0.514 4.855 4.340 0.002 0.000 0.270 708 Q C -2.140 173.989 176.000 0.214 0.000 1.006 708 Q CA -0.551 55.405 55.803 0.254 0.000 0.880 708 Q CB 1.595 30.459 28.738 0.210 0.000 1.392 708 Q HN 0.833 nan 8.270 nan 0.000 0.401 709 L N 4.049 125.276 121.223 0.007 0.000 2.341 709 L HA 0.699 5.040 4.340 0.002 0.000 0.278 709 L C -1.384 175.506 176.870 0.032 0.000 1.005 709 L CA -0.858 54.043 54.840 0.101 0.000 0.818 709 L CB 1.920 44.085 42.059 0.176 0.000 1.259 709 L HN 0.517 nan 8.230 nan 0.000 0.418 710 V N 5.644 125.594 119.914 0.059 0.000 2.357 710 V HA 0.310 4.431 4.120 0.002 0.000 0.281 710 V C -0.027 176.022 176.094 -0.074 0.000 1.015 710 V CA -0.557 61.714 62.300 -0.049 0.000 0.827 710 V CB 1.822 33.615 31.823 -0.050 0.000 1.018 710 V HN 0.474 nan 8.190 nan 0.000 0.432 711 V N 4.964 124.795 119.914 -0.137 0.000 2.743 711 V HA 0.750 4.871 4.120 0.002 0.000 0.301 711 V C -0.061 176.007 176.094 -0.044 0.000 1.057 711 V CA -0.576 61.622 62.300 -0.170 0.000 1.006 711 V CB 1.894 33.558 31.823 -0.265 0.000 1.024 711 V HN 0.517 nan 8.190 nan 0.000 0.473 712 V N 3.641 123.577 119.914 0.036 0.000 3.023 712 V HA 0.412 4.533 4.120 0.002 0.000 0.294 712 V C -2.734 173.567 176.094 0.345 0.000 1.324 712 V CA -1.283 61.140 62.300 0.204 0.000 0.979 712 V CB 3.083 35.020 31.823 0.190 0.000 1.093 712 V HN 0.800 nan 8.190 nan 0.000 0.434 713 P HA 0.592 nan 4.420 nan 0.000 0.282 713 P C -1.364 176.199 177.300 0.437 0.000 1.249 713 P CA -0.225 63.123 63.100 0.414 0.000 0.806 713 P CB 0.703 32.482 31.700 0.132 0.000 0.984 714 F N 0.992 121.041 119.950 0.165 0.000 2.708 714 F HA 0.379 4.907 4.527 0.002 0.000 0.309 714 F C -1.980 173.858 175.800 0.063 0.000 1.120 714 F CA -0.612 57.465 58.000 0.129 0.000 0.978 714 F CB 1.676 40.735 39.000 0.098 0.000 1.283 714 F HN 0.299 nan 8.300 nan 0.000 0.439 715 N N 5.293 123.464 118.700 -0.881 0.000 2.573 715 N HA 0.139 4.880 4.740 0.002 0.000 0.262 715 N C -0.202 174.704 175.510 -1.007 0.000 1.029 715 N CA -0.254 52.380 53.050 -0.693 0.000 0.882 715 N CB 1.800 40.069 38.487 -0.362 0.000 1.204 715 N HN 0.984 nan 8.380 nan 0.000 0.519 716 Q N 2.433 121.785 119.800 -0.748 0.000 2.437 716 Q HA -0.022 4.320 4.340 0.002 0.000 0.210 716 Q C 1.555 177.411 176.000 -0.241 0.000 0.972 716 Q CA 1.207 56.781 55.803 -0.382 0.000 0.903 716 Q CB 0.033 28.833 28.738 0.104 0.000 0.967 716 Q HN 0.821 nan 8.270 nan 0.000 0.486 717 G N -0.169 108.475 108.800 -0.259 0.000 2.708 717 G HA2 -0.120 3.841 3.960 0.002 0.000 0.210 717 G HA3 -0.120 3.841 3.960 0.002 0.000 0.210 717 G C 0.290 175.042 174.900 -0.247 0.000 1.141 717 G CA 0.471 45.436 45.100 -0.225 0.000 0.788 717 G HN 0.236 nan 8.290 nan 0.000 0.531 718 S N -0.274 115.261 115.700 -0.275 0.000 2.594 718 S HA 0.314 4.785 4.470 0.002 0.000 0.322 718 S C 1.224 175.728 174.600 -0.161 0.000 1.085 718 S CA -0.562 57.503 58.200 -0.225 0.000 1.116 718 S CB 1.285 64.341 63.200 -0.240 0.000 0.979 718 S HN 0.306 nan 8.310 nan 0.000 0.465 719 K N 3.899 124.230 120.400 -0.114 0.000 2.107 719 K HA -0.243 4.078 4.320 0.002 0.000 0.211 719 K C 1.663 178.226 176.600 -0.062 0.000 1.049 719 K CA 2.085 58.328 56.287 -0.074 0.000 0.927 719 K CB -0.161 32.303 32.500 -0.061 0.000 0.714 719 K HN 0.791 nan 8.250 nan 0.000 0.452 720 Q N 0.151 119.907 119.800 -0.073 0.000 2.020 720 Q HA -0.171 4.171 4.340 0.002 0.000 0.202 720 Q C 1.914 177.900 176.000 -0.023 0.000 0.982 720 Q CA 1.653 57.426 55.803 -0.049 0.000 0.838 720 Q CB -0.144 28.559 28.738 -0.057 0.000 0.899 720 Q HN 0.386 nan 8.270 nan 0.000 0.423 721 D N 0.187 120.564 120.400 -0.038 0.000 2.106 721 D HA -0.155 4.486 4.640 0.002 0.000 0.191 721 D C 2.002 178.384 176.300 0.136 0.000 0.997 721 D CA 1.048 55.058 54.000 0.017 0.000 0.834 721 D CB -0.340 40.342 40.800 -0.197 0.000 0.956 721 D HN -0.011 nan 8.370 nan 0.000 0.448 722 V N 0.784 120.794 119.914 0.160 0.000 2.231 722 V HA -0.309 3.812 4.120 0.002 0.000 0.250 722 V C 2.280 178.379 176.094 0.008 0.000 1.058 722 V CA 2.216 64.632 62.300 0.193 0.000 1.022 722 V CB -0.574 31.304 31.823 0.091 0.000 0.640 722 V HN 0.245 nan 8.190 nan 0.000 0.445 723 E N -0.339 119.843 120.200 -0.030 0.000 2.153 723 E HA -0.142 4.209 4.350 0.002 0.000 0.194 723 E C 2.215 178.765 176.600 -0.082 0.000 0.988 723 E CA 1.171 57.532 56.400 -0.066 0.000 0.811 723 E CB -0.340 29.325 29.700 -0.059 0.000 0.746 723 E HN 0.638 nan 8.360 nan 0.000 0.466 724 A N 1.121 123.894 122.820 -0.079 0.000 1.855 724 A HA -0.135 4.186 4.320 0.002 0.000 0.215 724 A C 2.130 179.485 177.584 -0.382 0.000 1.191 724 A CA 0.800 52.780 52.037 -0.095 0.000 0.613 724 A CB -0.684 18.351 19.000 0.060 0.000 0.829 724 A HN 0.274 nan 8.150 nan 0.000 0.442 725 L N 0.082 120.893 121.223 -0.687 0.000 1.971 725 L HA -0.213 4.128 4.340 0.002 0.000 0.215 725 L C 2.486 179.130 176.870 -0.377 0.000 1.072 725 L CA 2.134 56.420 54.840 -0.922 0.000 0.758 725 L CB -0.423 41.213 42.059 -0.705 0.000 0.889 725 L HN 0.261 nan 8.230 nan 0.000 0.433 726 V N 0.650 120.425 119.914 -0.232 0.000 2.324 726 V HA -0.352 3.769 4.120 0.002 0.000 0.250 726 V C 2.283 178.367 176.094 -0.018 0.000 1.060 726 V CA 2.215 64.452 62.300 -0.105 0.000 1.042 726 V CB -0.943 30.792 31.823 -0.147 0.000 0.650 726 V HN 0.561 nan 8.190 nan 0.000 0.450 727 N N -0.770 117.907 118.700 -0.038 0.000 2.142 727 N HA -0.178 4.563 4.740 0.002 0.000 0.186 727 N C 1.745 177.319 175.510 0.107 0.000 1.023 727 N CA 1.595 54.666 53.050 0.034 0.000 0.852 727 N CB -0.593 37.911 38.487 0.027 0.000 0.998 727 N HN 0.621 nan 8.380 nan 0.000 0.424 728 Y N 1.957 122.250 120.300 -0.012 0.000 2.151 728 Y HA -0.102 4.449 4.550 0.002 0.000 0.284 728 Y C 2.121 177.979 175.900 -0.071 0.000 1.166 728 Y CA 1.221 59.336 58.100 0.024 0.000 1.163 728 Y CB -0.453 38.120 38.460 0.188 0.000 0.974 728 Y HN 0.005 nan 8.280 nan 0.000 0.511 729 I N -1.298 119.214 120.570 -0.098 0.000 2.226 729 I HA -0.359 3.812 4.170 0.002 0.000 0.245 729 I C 1.577 177.578 176.117 -0.194 0.000 1.100 729 I CA 1.833 62.994 61.300 -0.231 0.000 1.374 729 I CB -0.540 37.476 38.000 0.027 0.000 1.057 729 I HN 0.231 nan 8.210 nan 0.000 0.413 730 Y N -0.173 120.053 120.300 -0.123 0.000 2.509 730 Y HA 0.046 4.597 4.550 0.002 0.000 0.270 730 Y C 0.885 176.760 175.900 -0.042 0.000 1.103 730 Y CA -0.562 57.523 58.100 -0.024 0.000 1.278 730 Y CB 0.156 38.633 38.460 0.028 0.000 1.087 730 Y HN 0.050 nan 8.280 nan 0.000 0.542 731 D N 0.618 121.046 120.400 0.046 0.000 2.434 731 D HA -0.072 4.570 4.640 0.002 0.000 0.252 731 D C 1.434 177.714 176.300 -0.033 0.000 1.185 731 D CA 0.745 54.754 54.000 0.015 0.000 0.886 731 D CB 1.129 41.937 40.800 0.013 0.000 1.148 731 D HN 0.313 nan 8.370 nan 0.000 0.483 732 T N 1.917 116.475 114.554 0.007 0.000 2.737 732 T HA -0.184 4.167 4.350 0.002 0.000 0.265 732 T C 1.549 176.238 174.700 -0.018 0.000 1.038 732 T CA 1.204 63.305 62.100 0.002 0.000 1.144 732 T CB -0.086 68.801 68.868 0.032 0.000 0.866 732 T HN 0.362 nan 8.240 nan 0.000 0.434 733 K N 1.039 121.434 120.400 -0.008 0.000 1.974 733 K HA 0.113 4.434 4.320 0.002 0.000 0.211 733 K C 2.295 178.887 176.600 -0.014 0.000 1.039 733 K CA 1.469 57.752 56.287 -0.007 0.000 0.947 733 K CB -0.077 32.424 32.500 0.002 0.000 0.735 733 K HN 0.234 nan 8.250 nan 0.000 0.441 734 N N -0.033 118.665 118.700 -0.003 0.000 2.299 734 N HA 0.061 4.802 4.740 0.002 0.000 0.187 734 N C 0.566 176.089 175.510 0.021 0.000 1.099 734 N CA 0.281 53.340 53.050 0.015 0.000 0.867 734 N CB 0.616 39.125 38.487 0.035 0.000 0.974 734 N HN 0.182 nan 8.380 nan 0.000 0.477 735 G N 0.464 109.230 108.800 -0.057 0.000 2.525 735 G HA2 0.356 4.317 3.960 0.002 0.000 0.287 735 G HA3 0.356 4.317 3.960 0.002 0.000 0.287 735 G C 0.790 175.396 174.900 -0.490 0.000 1.350 735 G CA -0.511 44.428 45.100 -0.268 0.000 1.039 735 G HN 0.230 nan 8.290 nan 0.000 0.513 736 L N -1.611 119.073 121.223 -0.898 0.000 2.685 736 L HA 0.425 4.766 4.340 0.002 0.000 0.233 736 L C 1.168 177.661 176.870 -0.628 0.000 1.173 736 L CA 0.312 54.672 54.840 -0.801 0.000 0.961 736 L CB -0.435 40.930 42.059 -1.157 0.000 1.217 736 L HN 0.791 nan 8.230 nan 0.000 0.478 737 G N 0.796 109.363 108.800 -0.388 0.000 2.424 737 G HA2 -0.262 3.699 3.960 0.002 0.000 0.290 737 G HA3 -0.262 3.699 3.960 0.002 0.000 0.290 737 G C -0.121 174.739 174.900 -0.067 0.000 0.912 737 G CA 0.385 45.386 45.100 -0.165 0.000 1.142 737 G HN 0.563 nan 8.290 nan 0.000 0.501 738 W N -0.719 120.315 121.300 -0.442 0.000 2.169 738 W HA 0.716 5.377 4.660 0.002 0.000 0.447 738 W C 0.339 176.446 176.519 -0.686 0.000 1.829 738 W CA -0.963 56.026 57.345 -0.593 0.000 2.025 738 W CB 0.687 29.731 29.460 -0.692 0.000 1.542 738 W HN 0.203 nan 8.180 nan 0.000 0.727 739 D N -0.241 119.981 120.400 -0.297 0.000 2.934 739 D HA 0.359 5.000 4.640 0.002 0.000 0.230 739 D C -1.398 174.874 176.300 -0.047 0.000 1.204 739 D CA -0.432 53.350 54.000 -0.364 0.000 0.873 739 D CB 1.434 42.001 40.800 -0.387 0.000 1.645 739 D HN 0.129 nan 8.370 nan 0.000 0.502 740 L N 2.815 124.089 121.223 0.085 0.000 2.312 740 L HA 0.341 4.683 4.340 0.002 0.000 0.281 740 L C 0.821 177.749 176.870 0.098 0.000 1.070 740 L CA -0.496 54.437 54.840 0.154 0.000 0.805 740 L CB 1.249 43.447 42.059 0.233 0.000 1.174 740 L HN 0.422 nan 8.230 nan 0.000 0.434 741 D N 0.904 121.336 120.400 0.053 0.000 2.394 741 D HA 0.081 4.722 4.640 0.002 0.000 0.226 741 D C -0.448 175.682 176.300 -0.283 0.000 0.990 741 D CA 1.054 54.976 54.000 -0.129 0.000 0.902 741 D CB 0.528 41.229 40.800 -0.164 0.000 1.038 741 D HN 0.276 nan 8.370 nan 0.000 0.499 742 Y N -0.355 119.953 120.300 0.012 0.000 2.536 742 Y HA 0.539 5.090 4.550 0.002 0.000 0.347 742 Y C -0.294 175.612 175.900 0.009 0.000 1.000 742 Y CA -1.055 57.043 58.100 -0.004 0.000 1.051 742 Y CB 2.511 40.925 38.460 -0.077 0.000 1.259 742 Y HN -0.435 nan 8.280 nan 0.000 0.468 743 V N 2.797 122.814 119.914 0.172 0.000 2.569 743 V HA 0.395 4.516 4.120 0.002 0.000 0.301 743 V C -1.135 175.009 176.094 0.083 0.000 1.044 743 V CA -0.819 61.543 62.300 0.102 0.000 0.874 743 V CB 1.845 33.720 31.823 0.086 0.000 1.002 743 V HN 0.559 nan 8.190 nan 0.000 0.424 744 V N 6.958 126.891 119.914 0.031 0.000 2.260 744 V HA 0.300 4.422 4.120 0.002 0.000 0.263 744 V C -2.421 173.755 176.094 0.137 0.000 1.036 744 V CA -1.486 60.817 62.300 0.004 0.000 0.874 744 V CB 1.319 32.975 31.823 -0.278 0.000 1.116 744 V HN 0.721 nan 8.190 nan 0.000 0.454 745 P HA 0.214 nan 4.420 nan 0.000 0.226 745 P C 0.231 177.735 177.300 0.341 0.000 1.783 745 P CA -0.025 63.209 63.100 0.223 0.000 0.980 745 P CB -0.299 31.471 31.700 0.116 0.000 1.967 746 F N 0.416 120.376 119.950 0.017 0.000 2.693 746 F HA 0.243 4.771 4.527 0.002 0.000 0.303 746 F C 1.454 177.281 175.800 0.045 0.000 1.143 746 F CA -1.120 56.896 58.000 0.026 0.000 1.389 746 F CB -0.928 38.085 39.000 0.023 0.000 1.060 746 F HN 0.052 nan 8.300 nan 0.000 0.535 747 A N 0.927 123.868 122.820 0.202 0.000 2.454 747 A HA 0.643 4.964 4.320 0.002 0.000 0.260 747 A C 0.257 177.902 177.584 0.101 0.000 1.106 747 A CA 0.500 52.629 52.037 0.152 0.000 0.780 747 A CB -0.238 18.861 19.000 0.165 0.000 1.044 747 A HN 0.354 nan 8.150 nan 0.000 0.498 748 A N 2.561 125.433 122.820 0.086 0.000 2.594 748 A HA 0.664 4.985 4.320 0.002 0.000 0.296 748 A C -0.947 176.668 177.584 0.053 0.000 1.061 748 A CA -0.442 51.637 52.037 0.071 0.000 0.689 748 A CB 0.833 19.878 19.000 0.075 0.000 1.280 748 A HN 0.748 nan 8.150 nan 0.000 0.406 749 I N 1.685 122.288 120.570 0.054 0.000 2.474 749 I HA 0.375 4.546 4.170 0.002 0.000 0.294 749 I C -2.321 173.807 176.117 0.017 0.000 1.005 749 I CA -2.240 59.079 61.300 0.032 0.000 1.113 749 I CB 2.463 40.485 38.000 0.036 0.000 1.289 749 I HN 0.357 nan 8.210 nan 0.000 0.436 750 P HA 0.085 nan 4.420 nan 0.000 0.268 750 P C -0.468 176.813 177.300 -0.032 0.000 1.282 750 P CA -0.101 62.966 63.100 -0.054 0.000 0.880 750 P CB 0.020 31.687 31.700 -0.054 0.000 0.971 751 E N 1.127 121.310 120.200 -0.028 0.000 2.411 751 E HA 0.083 4.434 4.350 0.002 0.000 0.204 751 E C 0.144 176.729 176.600 -0.025 0.000 1.059 751 E CA -0.724 55.675 56.400 -0.001 0.000 1.112 751 E CB -0.233 29.494 29.700 0.044 0.000 1.168 751 E HN 0.214 nan 8.360 nan 0.000 0.445 752 N N 1.348 120.014 118.700 -0.057 0.000 2.353 752 N HA -0.039 4.702 4.740 0.002 0.000 0.248 752 N C 1.049 176.541 175.510 -0.030 0.000 1.240 752 N CA 1.915 54.927 53.050 -0.063 0.000 0.862 752 N CB 0.822 39.264 38.487 -0.076 0.000 1.086 752 N HN 0.461 nan 8.380 nan 0.000 0.453 753 G N 2.099 110.886 108.800 -0.022 0.000 2.201 753 G HA2 -0.194 3.767 3.960 0.002 0.000 0.212 753 G HA3 -0.194 3.767 3.960 0.002 0.000 0.212 753 G C -0.384 174.518 174.900 0.002 0.000 0.994 753 G CA 0.158 45.253 45.100 -0.008 0.000 0.644 753 G HN 0.794 nan 8.290 nan 0.000 0.508 754 R N 0.753 121.257 120.500 0.006 0.000 2.534 754 R HA 0.705 5.046 4.340 0.002 0.000 0.301 754 R C -0.458 175.852 176.300 0.017 0.000 0.961 754 R CA -0.865 55.242 56.100 0.012 0.000 0.871 754 R CB 1.917 32.225 30.300 0.013 0.000 1.170 754 R HN 0.344 nan 8.270 nan 0.000 0.446 755 E N 1.746 121.955 120.200 0.015 0.000 2.330 755 E HA 0.121 4.473 4.350 0.002 0.000 0.256 755 E C 1.253 177.860 176.600 0.011 0.000 1.146 755 E CA -0.563 55.847 56.400 0.017 0.000 0.945 755 E CB 1.138 30.847 29.700 0.015 0.000 1.182 755 E HN 0.715 nan 8.360 nan 0.000 0.480 756 I N -1.356 119.220 120.570 0.009 0.000 2.657 756 I HA -0.231 3.940 4.170 0.002 0.000 0.261 756 I C 1.578 177.695 176.117 -0.000 0.000 1.212 756 I CA 1.225 62.525 61.300 0.001 0.000 1.453 756 I CB -0.139 37.862 38.000 0.000 0.000 1.092 756 I HN 0.429 nan 8.210 nan 0.000 0.452 757 D N 2.479 122.881 120.400 0.003 0.000 2.191 757 D HA -0.230 4.411 4.640 0.002 0.000 0.190 757 D C 0.682 176.982 176.300 -0.001 0.000 1.007 757 D CA 2.142 56.142 54.000 0.002 0.000 0.865 757 D CB 0.008 40.811 40.800 0.004 0.000 0.929 757 D HN 0.663 nan 8.370 nan 0.000 0.447 758 S N -0.609 115.091 115.700 0.001 0.000 2.479 758 S HA 0.371 4.843 4.470 0.002 0.000 0.169 758 S C -0.508 174.094 174.600 0.003 0.000 1.181 758 S CA -0.828 57.372 58.200 0.000 0.000 1.169 758 S CB -0.033 63.169 63.200 0.003 0.000 1.384 758 S HN 0.023 nan 8.310 nan 0.000 0.412 759 I N 4.576 125.145 120.570 -0.002 0.000 2.311 759 I HA 0.206 4.377 4.170 0.002 0.000 0.297 759 I C 0.797 176.916 176.117 0.003 0.000 1.131 759 I CA 0.042 61.342 61.300 0.001 0.000 1.289 759 I CB -0.069 37.926 38.000 -0.008 0.000 1.446 759 I HN 0.656 nan 8.210 nan 0.000 0.524 760 D N 2.965 123.374 120.400 0.015 0.000 2.453 760 D HA 0.102 4.744 4.640 0.002 0.000 0.282 760 D C 1.345 177.666 176.300 0.035 0.000 1.222 760 D CA -0.383 53.628 54.000 0.018 0.000 1.079 760 D CB 0.118 40.932 40.800 0.024 0.000 1.128 760 D HN 0.223 nan 8.370 nan 0.000 0.568 761 S N -1.019 114.712 115.700 0.051 0.000 2.343 761 S HA -0.212 4.259 4.470 0.002 0.000 0.219 761 S C 1.758 176.449 174.600 0.151 0.000 1.033 761 S CA 1.907 60.168 58.200 0.101 0.000 1.014 761 S CB -0.476 62.793 63.200 0.114 0.000 0.915 761 S HN 0.533 nan 8.310 nan 0.000 0.435 762 K N 0.389 120.853 120.400 0.108 0.000 2.044 762 K HA -0.114 4.207 4.320 0.002 0.000 0.210 762 K C 2.243 178.910 176.600 0.111 0.000 1.049 762 K CA 1.877 58.223 56.287 0.098 0.000 0.927 762 K CB -0.394 32.142 32.500 0.060 0.000 0.713 762 K HN 0.370 nan 8.250 nan 0.000 0.443 763 S N 0.666 116.423 115.700 0.094 0.000 2.359 763 S HA -0.202 4.269 4.470 0.002 0.000 0.224 763 S C 1.846 176.533 174.600 0.144 0.000 1.035 763 S CA 1.669 59.927 58.200 0.096 0.000 1.018 763 S CB -0.313 62.923 63.200 0.059 0.000 0.876 763 S HN 0.457 nan 8.310 nan 0.000 0.448 764 E N 0.631 120.923 120.200 0.153 0.000 2.110 764 E HA -0.157 4.194 4.350 0.002 0.000 0.193 764 E C 2.022 178.820 176.600 0.329 0.000 0.988 764 E CA 0.787 57.310 56.400 0.205 0.000 0.804 764 E CB -0.150 29.609 29.700 0.098 0.000 0.745 764 E HN 0.337 nan 8.360 nan 0.000 0.458 765 L N 0.810 122.252 121.223 0.366 0.000 1.976 765 L HA -0.084 4.257 4.340 0.002 0.000 0.209 765 L C 2.297 179.238 176.870 0.117 0.000 1.071 765 L CA 2.342 57.322 54.840 0.233 0.000 0.746 765 L CB -0.977 41.157 42.059 0.125 0.000 0.890 765 L HN 0.153 nan 8.230 nan 0.000 0.432 766 A N -1.324 121.570 122.820 0.124 0.000 1.892 766 A HA -0.346 3.976 4.320 0.002 0.000 0.218 766 A C 2.442 180.115 177.584 0.148 0.000 1.188 766 A CA 2.056 54.159 52.037 0.110 0.000 0.631 766 A CB -1.399 17.669 19.000 0.114 0.000 0.822 766 A HN 0.786 nan 8.150 nan 0.000 0.447 767 H N -0.927 118.181 119.070 0.063 0.000 2.422 767 H HA -0.131 4.426 4.556 0.002 0.000 0.298 767 H C 2.376 177.727 175.328 0.039 0.000 1.098 767 H CA 1.534 57.608 56.048 0.042 0.000 1.315 767 H CB 0.019 29.806 29.762 0.043 0.000 1.382 767 H HN 0.510 nan 8.280 nan 0.000 0.523 768 R N 0.293 120.807 120.500 0.023 0.000 2.090 768 R HA -0.067 4.274 4.340 0.002 0.000 0.228 768 R C 2.293 178.556 176.300 -0.062 0.000 1.110 768 R CA 1.167 57.233 56.100 -0.056 0.000 0.973 768 R CB 0.030 30.351 30.300 0.036 0.000 0.869 768 R HN 0.304 nan 8.270 nan 0.000 0.440 769 I N 0.188 120.742 120.570 -0.026 0.000 2.163 769 I HA -0.239 3.932 4.170 0.002 0.000 0.240 769 I C 2.248 178.364 176.117 -0.002 0.000 1.081 769 I CA 1.363 62.651 61.300 -0.020 0.000 1.353 769 I CB -0.092 37.905 38.000 -0.004 0.000 1.054 769 I HN 0.154 nan 8.210 nan 0.000 0.407 770 M N -0.718 118.891 119.600 0.015 0.000 2.557 770 M HA -0.054 4.428 4.480 0.002 0.000 0.259 770 M C 1.466 177.751 176.300 -0.024 0.000 1.086 770 M CA 1.296 56.605 55.300 0.015 0.000 1.096 770 M CB 0.317 32.948 32.600 0.052 0.000 1.424 770 M HN 0.324 nan 8.290 nan 0.000 0.488 771 L N -2.495 118.683 121.223 -0.076 0.000 3.099 771 L HA 0.142 4.483 4.340 0.002 0.000 0.165 771 L C 2.025 178.808 176.870 -0.144 0.000 1.151 771 L CA 0.592 55.361 54.840 -0.119 0.000 0.878 771 L CB -0.675 41.293 42.059 -0.152 0.000 1.615 771 L HN 0.130 nan 8.230 nan 0.000 0.545 772 T N -1.112 113.315 114.554 -0.212 0.000 2.720 772 T HA -0.111 4.240 4.350 0.002 0.000 0.268 772 T C 1.525 176.166 174.700 -0.097 0.000 1.037 772 T CA 1.947 63.956 62.100 -0.151 0.000 1.144 772 T CB -0.660 68.118 68.868 -0.151 0.000 0.864 772 T HN 0.305 nan 8.240 nan 0.000 0.444 773 N N 0.752 119.403 118.700 -0.080 0.000 2.376 773 N HA 0.234 4.975 4.740 0.002 0.000 0.177 773 N C 1.745 177.237 175.510 -0.031 0.000 1.024 773 N CA 0.225 53.245 53.050 -0.049 0.000 0.893 773 N CB -0.483 37.979 38.487 -0.042 0.000 0.980 773 N HN 0.319 nan 8.380 nan 0.000 0.439 774 L N 0.496 121.697 121.223 -0.036 0.000 1.989 774 L HA -0.134 4.207 4.340 0.002 0.000 0.211 774 L C 1.820 178.649 176.870 -0.068 0.000 1.071 774 L CA 1.187 56.009 54.840 -0.031 0.000 0.749 774 L CB -0.245 41.792 42.059 -0.035 0.000 0.890 774 L HN 0.128 nan 8.230 nan 0.000 0.431 775 L N -0.715 120.452 121.223 -0.093 0.000 2.079 775 L HA -0.247 4.095 4.340 0.002 0.000 0.210 775 L C 2.788 179.569 176.870 -0.148 0.000 1.081 775 L CA 1.292 56.053 54.840 -0.133 0.000 0.752 775 L CB -0.440 41.544 42.059 -0.124 0.000 0.896 775 L HN 0.224 nan 8.230 nan 0.000 0.433 776 R N -0.547 119.887 120.500 -0.109 0.000 2.115 776 R HA -0.105 4.236 4.340 0.002 0.000 0.226 776 R C 2.288 178.526 176.300 -0.103 0.000 1.100 776 R CA 0.938 56.974 56.100 -0.106 0.000 0.980 776 R CB -0.310 29.944 30.300 -0.076 0.000 0.875 776 R HN 0.350 nan 8.270 nan 0.000 0.445 777 L N 1.103 122.283 121.223 -0.072 0.000 1.989 777 L HA -0.227 4.115 4.340 0.002 0.000 0.211 777 L C 2.224 179.034 176.870 -0.101 0.000 1.071 777 L CA 1.473 56.274 54.840 -0.065 0.000 0.749 777 L CB -0.296 41.747 42.059 -0.026 0.000 0.890 777 L HN 0.199 nan 8.230 nan 0.000 0.431 778 L N -0.766 120.386 121.223 -0.118 0.000 1.971 778 L HA -0.215 4.126 4.340 0.002 0.000 0.215 778 L C 2.674 179.413 176.870 -0.218 0.000 1.072 778 L CA 1.641 56.388 54.840 -0.156 0.000 0.758 778 L CB -1.765 40.168 42.059 -0.209 0.000 0.889 778 L HN 0.412 nan 8.230 nan 0.000 0.433 779 G N -0.216 108.426 108.800 -0.264 0.000 2.513 779 G HA2 -0.328 3.633 3.960 0.002 0.000 0.219 779 G HA3 -0.328 3.633 3.960 0.002 0.000 0.219 779 G C 1.754 176.521 174.900 -0.222 0.000 1.160 779 G CA 1.288 46.222 45.100 -0.276 0.000 0.767 779 G HN 0.516 nan 8.290 nan 0.000 0.571 780 A N 1.077 123.785 122.820 -0.186 0.000 1.851 780 A HA -0.052 4.269 4.320 0.002 0.000 0.216 780 A C 2.427 179.862 177.584 -0.247 0.000 1.195 780 A CA 1.636 53.558 52.037 -0.191 0.000 0.622 780 A CB -0.504 18.402 19.000 -0.157 0.000 0.831 780 A HN 0.399 nan 8.150 nan 0.000 0.444 781 I N -0.276 120.164 120.570 -0.216 0.000 2.113 781 I HA -0.350 3.822 4.170 0.002 0.000 0.242 781 I C 2.630 178.606 176.117 -0.236 0.000 1.064 781 I CA 2.074 63.235 61.300 -0.231 0.000 1.320 781 I CB -0.609 37.356 38.000 -0.058 0.000 1.028 781 I HN 0.384 nan 8.210 nan 0.000 0.406 782 K N 1.506 121.796 120.400 -0.182 0.000 2.001 782 K HA -0.224 4.098 4.320 0.002 0.000 0.214 782 K C 2.075 178.452 176.600 -0.370 0.000 1.050 782 K CA 2.845 59.006 56.287 -0.209 0.000 0.934 782 K CB -0.684 31.711 32.500 -0.175 0.000 0.718 782 K HN 0.464 nan 8.250 nan 0.000 0.443 783 T N 0.811 115.172 114.554 -0.321 0.000 2.833 783 T HA -0.129 4.222 4.350 0.002 0.000 0.269 783 T C 1.978 176.483 174.700 -0.325 0.000 1.054 783 T CA 0.856 62.769 62.100 -0.311 0.000 1.135 783 T CB -0.148 68.584 68.868 -0.228 0.000 0.869 783 T HN 0.173 nan 8.240 nan 0.000 0.466 784 Q N 1.684 121.258 119.800 -0.378 0.000 2.002 784 Q HA -0.078 4.263 4.340 0.002 0.000 0.204 784 Q C 2.385 178.186 176.000 -0.332 0.000 0.988 784 Q CA 1.756 57.281 55.803 -0.463 0.000 0.843 784 Q CB -0.352 27.805 28.738 -0.968 0.000 0.908 784 Q HN 0.602 nan 8.270 nan 0.000 0.420 785 K N 0.539 120.808 120.400 -0.218 0.000 2.009 785 K HA -0.187 4.134 4.320 0.002 0.000 0.210 785 K C 2.167 178.665 176.600 -0.169 0.000 1.049 785 K CA 1.498 57.797 56.287 0.021 0.000 0.929 785 K CB -0.219 32.423 32.500 0.237 0.000 0.714 785 K HN 0.082 nan 8.250 nan 0.000 0.440 786 K N 1.468 121.582 120.400 -0.477 0.000 2.020 786 K HA -0.251 4.070 4.320 0.002 0.000 0.212 786 K C 1.871 178.356 176.600 -0.192 0.000 1.050 786 K CA 1.989 58.012 56.287 -0.440 0.000 0.929 786 K CB 0.022 32.188 32.500 -0.556 0.000 0.714 786 K HN 0.184 nan 8.250 nan 0.000 0.443 787 E N -0.158 119.909 120.200 -0.221 0.000 2.072 787 E HA -0.139 4.213 4.350 0.002 0.000 0.191 787 E C 1.920 178.403 176.600 -0.196 0.000 0.985 787 E CA 0.910 57.207 56.400 -0.172 0.000 0.801 787 E CB 0.049 29.648 29.700 -0.169 0.000 0.750 787 E HN 0.268 nan 8.360 nan 0.000 0.452 788 R N -0.280 120.028 120.500 -0.320 0.000 2.323 788 R HA 0.031 4.372 4.340 0.002 0.000 0.198 788 R C 1.057 177.055 176.300 -0.504 0.000 0.988 788 R CA 0.476 56.255 56.100 -0.535 0.000 1.041 788 R CB 0.192 29.892 30.300 -1.000 0.000 0.926 788 R HN 0.274 nan 8.270 nan 0.000 0.476 789 G N 0.412 109.091 108.800 -0.201 0.000 2.168 789 G HA2 -0.293 3.668 3.960 0.002 0.000 0.263 789 G HA3 -0.293 3.668 3.960 0.002 0.000 0.263 789 G C -0.297 174.716 174.900 0.189 0.000 0.977 789 G CA -0.050 45.053 45.100 0.006 0.000 0.659 789 G HN 0.303 nan 8.290 nan 0.000 0.533 790 Y N 0.869 121.263 120.300 0.157 0.000 2.517 790 Y HA 0.439 4.990 4.550 0.002 0.000 0.341 790 Y C 1.445 177.488 175.900 0.239 0.000 1.247 790 Y CA -0.305 57.904 58.100 0.180 0.000 1.774 790 Y CB 0.162 38.747 38.460 0.209 0.000 1.641 790 Y HN 0.366 nan 8.280 nan 0.000 0.457 791 E N 0.849 121.232 120.200 0.306 0.000 2.251 791 E HA -0.043 4.308 4.350 0.002 0.000 0.194 791 E C 1.539 178.175 176.600 0.060 0.000 0.964 791 E CA 0.885 57.390 56.400 0.174 0.000 0.868 791 E CB 0.373 30.142 29.700 0.115 0.000 0.828 791 E HN 0.484 nan 8.360 nan 0.000 0.481 792 T N -2.027 112.577 114.554 0.084 0.000 3.214 792 T HA 0.311 4.662 4.350 0.002 0.000 0.264 792 T C 0.694 175.418 174.700 0.039 0.000 1.012 792 T CA -0.509 61.615 62.100 0.040 0.000 0.901 792 T CB 0.059 68.949 68.868 0.036 0.000 1.070 792 T HN -0.140 nan 8.240 nan 0.000 0.561 793 R N 1.681 122.221 120.500 0.067 0.000 2.674 793 R HA 0.311 4.652 4.340 0.002 0.000 0.270 793 R C -3.083 173.267 176.300 0.082 0.000 1.492 793 R CA -1.623 54.505 56.100 0.047 0.000 1.624 793 R CB 0.731 31.037 30.300 0.009 0.000 1.307 793 R HN 0.246 nan 8.270 nan 0.000 0.683 794 P HA -0.043 nan 4.420 nan 0.000 0.266 794 P C -0.942 176.411 177.300 0.089 0.000 1.193 794 P CA 0.303 63.475 63.100 0.121 0.000 0.770 794 P CB 0.779 32.550 31.700 0.117 0.000 0.836 795 A N 2.462 125.362 122.820 0.134 0.000 2.288 795 A HA 0.299 4.620 4.320 0.002 0.000 0.320 795 A C -0.193 177.436 177.584 0.076 0.000 1.217 795 A CA -0.534 51.548 52.037 0.076 0.000 0.840 795 A CB 0.377 19.457 19.000 0.133 0.000 1.179 795 A HN 0.527 nan 8.150 nan 0.000 0.504 796 Q N 2.262 122.047 119.800 -0.026 0.000 2.294 796 Q HA 0.431 4.772 4.340 0.002 0.000 0.257 796 Q C -1.234 174.818 176.000 0.087 0.000 0.955 796 Q CA -0.170 55.642 55.803 0.015 0.000 0.936 796 Q CB 0.841 29.537 28.738 -0.071 0.000 1.188 796 Q HN 0.529 nan 8.270 nan 0.000 0.420 797 V N 6.279 126.254 119.914 0.103 0.000 2.350 797 V HA 0.195 4.316 4.120 0.002 0.000 0.276 797 V C 0.218 176.359 176.094 0.078 0.000 1.028 797 V CA -0.608 61.751 62.300 0.098 0.000 0.860 797 V CB 1.245 33.125 31.823 0.094 0.000 0.990 797 V HN 0.699 nan 8.190 nan 0.000 0.453 798 I N 5.817 126.451 120.570 0.107 0.000 2.213 798 I HA 0.136 4.307 4.170 0.002 0.000 0.295 798 I C 0.329 176.517 176.117 0.117 0.000 1.172 798 I CA -0.259 61.111 61.300 0.118 0.000 1.443 798 I CB -0.005 38.099 38.000 0.172 0.000 1.491 798 I HN 0.374 nan 8.210 nan 0.000 0.652 799 L N 7.308 128.524 121.223 -0.012 0.000 2.654 799 L HA 0.051 4.392 4.340 0.002 0.000 0.271 799 L C -1.842 174.937 176.870 -0.153 0.000 1.169 799 L CA -0.654 54.124 54.840 -0.103 0.000 0.947 799 L CB -0.167 41.756 42.059 -0.226 0.000 1.232 799 L HN 0.175 nan 8.230 nan 0.000 0.486 800 P HA 0.206 nan 4.420 nan 0.000 0.260 800 P C -0.142 177.001 177.300 -0.262 0.000 1.651 800 P CA -0.106 62.779 63.100 -0.357 0.000 1.139 800 P CB 0.222 31.483 31.700 -0.732 0.000 1.756 801 L N 0.473 121.564 121.223 -0.221 0.000 2.490 801 L HA 0.582 4.924 4.340 0.002 0.000 0.245 801 L C 0.949 177.755 176.870 -0.107 0.000 1.185 801 L CA -0.435 54.304 54.840 -0.168 0.000 0.813 801 L CB 0.301 42.243 42.059 -0.195 0.000 1.233 801 L HN 0.175 nan 8.230 nan 0.000 0.489 802 S N -1.609 114.076 115.700 -0.025 0.000 2.569 802 S HA 0.498 4.969 4.470 0.002 0.000 0.280 802 S C -2.189 172.329 174.600 -0.137 0.000 1.111 802 S CA -1.216 56.969 58.200 -0.025 0.000 0.887 802 S CB 1.903 65.122 63.200 0.031 0.000 1.095 802 S HN 0.289 nan 8.310 nan 0.000 0.476 803 P HA 0.044 nan 4.420 nan 0.000 0.220 803 P C -0.151 177.037 177.300 -0.188 0.000 1.152 803 P CA 0.527 63.546 63.100 -0.136 0.000 0.812 803 P CB -0.066 31.660 31.700 0.043 0.000 0.792 804 N N 0.639 119.320 118.700 -0.031 0.000 2.402 804 N HA -0.041 4.700 4.740 0.002 0.000 0.259 804 N C -0.699 174.874 175.510 0.105 0.000 1.167 804 N CA 0.230 53.349 53.050 0.114 0.000 0.949 804 N CB -0.864 37.767 38.487 0.240 0.000 1.212 804 N HN 0.224 nan 8.380 nan 0.000 0.493 805 H N 2.457 121.601 119.070 0.124 0.000 2.421 805 H HA 0.326 4.883 4.556 0.002 0.000 0.241 805 H C 0.841 176.219 175.328 0.083 0.000 1.428 805 H CA -0.262 55.833 56.048 0.079 0.000 1.136 805 H CB 0.397 30.199 29.762 0.067 0.000 1.612 805 H HN 0.836 nan 8.280 nan 0.000 0.537 806 G N 0.828 109.756 108.800 0.214 0.000 2.163 806 G HA2 -0.385 3.577 3.960 0.002 0.000 0.213 806 G HA3 -0.385 3.577 3.960 0.002 0.000 0.213 806 G C 1.400 176.380 174.900 0.133 0.000 0.991 806 G CA 0.559 45.752 45.100 0.155 0.000 0.653 806 G HN 0.556 nan 8.290 nan 0.000 0.518 807 T N -2.084 112.560 114.554 0.151 0.000 2.942 807 T HA 0.361 4.712 4.350 0.002 0.000 0.265 807 T C 1.164 175.860 174.700 -0.007 0.000 1.062 807 T CA 0.812 62.947 62.100 0.060 0.000 1.139 807 T CB -0.022 68.870 68.868 0.041 0.000 0.883 807 T HN 0.266 nan 8.240 nan 0.000 0.468 808 F N 1.215 121.181 119.950 0.026 0.000 2.380 808 F HA 0.634 5.162 4.527 0.002 0.000 0.321 808 F C 1.853 177.658 175.800 0.007 0.000 1.103 808 F CA -0.229 57.773 58.000 0.004 0.000 1.067 808 F CB 0.632 39.620 39.000 -0.021 0.000 1.265 808 F HN 0.162 nan 8.300 nan 0.000 0.517 809 G N 0.572 109.497 108.800 0.209 0.000 2.645 809 G HA2 -0.206 3.755 3.960 0.002 0.000 0.179 809 G HA3 -0.206 3.755 3.960 0.002 0.000 0.179 809 G C 0.391 175.348 174.900 0.095 0.000 1.515 809 G CA 0.107 45.275 45.100 0.112 0.000 0.852 809 G HN 0.577 nan 8.290 nan 0.000 0.481 810 N N 1.701 120.439 118.700 0.063 0.000 3.111 810 N HA 0.107 4.848 4.740 0.002 0.000 0.302 810 N C 0.633 176.158 175.510 0.025 0.000 1.317 810 N CA -0.020 53.052 53.050 0.036 0.000 1.151 810 N CB 0.489 38.986 38.487 0.017 0.000 1.456 810 N HN 0.281 nan 8.380 nan 0.000 0.547 811 D N 0.920 121.352 120.400 0.055 0.000 2.116 811 D HA -0.113 4.528 4.640 0.002 0.000 0.193 811 D C 1.033 177.379 176.300 0.077 0.000 0.998 811 D CA 1.164 55.206 54.000 0.071 0.000 0.836 811 D CB -0.257 40.657 40.800 0.191 0.000 0.951 811 D HN 0.434 nan 8.370 nan 0.000 0.449 812 G N 1.890 110.727 108.800 0.063 0.000 2.402 812 G HA2 -0.222 3.740 3.960 0.002 0.000 0.241 812 G HA3 -0.222 3.740 3.960 0.002 0.000 0.241 812 G C 0.567 175.496 174.900 0.047 0.000 0.871 812 G CA 0.152 45.277 45.100 0.042 0.000 1.232 812 G HN 0.344 nan 8.290 nan 0.000 0.369 813 L N -0.868 120.359 121.223 0.007 0.000 5.051 813 L HA -0.282 4.059 4.340 0.002 0.000 0.432 813 L C 1.745 178.600 176.870 -0.025 0.000 1.055 813 L CA 2.663 57.460 54.840 -0.071 0.000 1.095 813 L CB -2.021 39.996 42.059 -0.069 0.000 1.957 813 L HN 0.935 nan 8.230 nan 0.000 0.727 814 Y N 1.341 121.612 120.300 -0.048 0.000 2.138 814 Y HA -0.182 4.370 4.550 0.002 0.000 0.286 814 Y C 2.471 178.363 175.900 -0.014 0.000 1.115 814 Y CA 2.451 60.536 58.100 -0.025 0.000 1.105 814 Y CB -0.366 38.077 38.460 -0.028 0.000 1.004 814 Y HN 0.330 nan 8.280 nan 0.000 0.494 815 S N 0.341 116.021 115.700 -0.033 0.000 2.380 815 S HA -0.286 4.186 4.470 0.002 0.000 0.229 815 S C 1.682 176.197 174.600 -0.142 0.000 1.043 815 S CA 1.725 59.886 58.200 -0.065 0.000 1.038 815 S CB -0.709 62.554 63.200 0.105 0.000 0.872 815 S HN 0.508 nan 8.310 nan 0.000 0.456 816 E N 1.857 121.973 120.200 -0.140 0.000 2.085 816 E HA -0.071 4.280 4.350 0.002 0.000 0.194 816 E C 2.446 178.948 176.600 -0.163 0.000 0.994 816 E CA 1.487 57.781 56.400 -0.176 0.000 0.801 816 E CB -0.531 29.009 29.700 -0.267 0.000 0.743 816 E HN 0.654 nan 8.360 nan 0.000 0.453 817 S N 0.663 116.263 115.700 -0.165 0.000 2.338 817 S HA -0.103 4.368 4.470 0.002 0.000 0.218 817 S C 1.734 176.255 174.600 -0.131 0.000 1.032 817 S CA 0.901 59.099 58.200 -0.004 0.000 0.999 817 S CB -0.197 63.040 63.200 0.062 0.000 0.905 817 S HN 0.059 nan 8.310 nan 0.000 0.439 818 K N 1.200 121.428 120.400 -0.287 0.000 2.152 818 K HA 0.065 4.386 4.320 0.002 0.000 0.206 818 K C 2.032 178.523 176.600 -0.182 0.000 1.048 818 K CA 0.710 56.835 56.287 -0.270 0.000 0.933 818 K CB -0.784 31.477 32.500 -0.397 0.000 0.721 818 K HN 0.314 nan 8.250 nan 0.000 0.447 819 L N 0.471 121.544 121.223 -0.250 0.000 2.068 819 L HA 0.005 4.346 4.340 0.002 0.000 0.204 819 L C 2.144 178.895 176.870 -0.199 0.000 1.076 819 L CA 1.538 56.136 54.840 -0.404 0.000 0.753 819 L CB -0.551 41.223 42.059 -0.475 0.000 0.910 819 L HN 0.106 nan 8.230 nan 0.000 0.439 820 A N -0.312 122.437 122.820 -0.119 0.000 1.978 820 A HA -0.215 4.107 4.320 0.002 0.000 0.220 820 A C 2.236 179.787 177.584 -0.056 0.000 1.170 820 A CA 1.957 53.966 52.037 -0.047 0.000 0.636 820 A CB -1.047 17.963 19.000 0.016 0.000 0.810 820 A HN 0.508 nan 8.150 nan 0.000 0.448 821 L N -0.554 120.610 121.223 -0.099 0.000 2.189 821 L HA -0.231 4.111 4.340 0.002 0.000 0.214 821 L C 2.257 179.017 176.870 -0.183 0.000 1.097 821 L CA 1.563 56.322 54.840 -0.135 0.000 0.764 821 L CB -0.499 41.456 42.059 -0.172 0.000 0.900 821 L HN 0.513 nan 8.230 nan 0.000 0.436 822 E N -0.876 119.230 120.200 -0.156 0.000 2.482 822 E HA -0.120 4.231 4.350 0.002 0.000 0.196 822 E C 1.891 178.524 176.600 0.056 0.000 1.047 822 E CA 1.141 57.451 56.400 -0.150 0.000 0.869 822 E CB -0.019 29.718 29.700 0.062 0.000 0.836 822 E HN 0.577 nan 8.360 nan 0.000 0.520 823 T N -0.967 113.625 114.554 0.063 0.000 3.098 823 T HA -0.040 4.311 4.350 0.002 0.000 0.266 823 T C 1.808 176.618 174.700 0.184 0.000 1.145 823 T CA 0.386 62.574 62.100 0.147 0.000 1.092 823 T CB -0.128 68.806 68.868 0.110 0.000 0.908 823 T HN 0.103 nan 8.240 nan 0.000 0.526 824 L N -0.867 120.413 121.223 0.095 0.000 2.156 824 L HA 0.176 4.517 4.340 0.002 0.000 0.208 824 L C 2.346 179.367 176.870 0.251 0.000 1.095 824 L CA 0.979 55.931 54.840 0.186 0.000 0.770 824 L CB -0.517 41.572 42.059 0.051 0.000 0.914 824 L HN 0.231 nan 8.230 nan 0.000 0.439 825 F N 0.525 120.603 119.950 0.214 0.000 2.184 825 F HA -0.317 4.211 4.527 0.002 0.000 0.301 825 F C 2.012 177.984 175.800 0.287 0.000 1.076 825 F CA 1.394 59.542 58.000 0.246 0.000 1.295 825 F CB -0.197 39.044 39.000 0.402 0.000 1.026 825 F HN 0.280 nan 8.300 nan 0.000 0.494 826 N N -0.790 118.204 118.700 0.489 0.000 2.439 826 N HA 0.041 4.783 4.740 0.002 0.000 0.176 826 N C 1.473 177.175 175.510 0.320 0.000 1.029 826 N CA 0.244 53.560 53.050 0.444 0.000 0.886 826 N CB -0.175 38.520 38.487 0.346 0.000 1.057 826 N HN 0.011 nan 8.380 nan 0.000 0.437 827 R N -0.495 120.176 120.500 0.285 0.000 2.127 827 R HA -0.138 4.203 4.340 0.002 0.000 0.238 827 R C 1.506 177.729 176.300 -0.129 0.000 1.134 827 R CA 1.119 57.369 56.100 0.250 0.000 0.975 827 R CB -0.305 30.309 30.300 0.523 0.000 0.865 827 R HN 0.381 nan 8.270 nan 0.000 0.447 828 W N 0.325 121.357 121.300 -0.448 0.000 2.350 828 W HA -0.240 4.422 4.660 0.002 0.000 0.289 828 W C 1.156 177.233 176.519 -0.737 0.000 1.215 828 W CA 1.492 58.246 57.345 -0.985 0.000 1.236 828 W CB -0.116 28.949 29.460 -0.658 0.000 1.130 828 W HN 0.096 nan 8.180 nan 0.000 0.541 829 Y N -0.463 119.841 120.300 0.007 0.000 2.230 829 Y HA -0.174 4.377 4.550 0.002 0.000 0.294 829 Y C 2.993 178.805 175.900 -0.146 0.000 1.120 829 Y CA 1.436 59.530 58.100 -0.011 0.000 1.129 829 Y CB -0.922 37.614 38.460 0.127 0.000 1.040 829 Y HN -0.115 nan 8.280 nan 0.000 0.519 830 S N 0.004 115.750 115.700 0.078 0.000 2.345 830 S HA -0.115 4.356 4.470 0.002 0.000 0.220 830 S C 0.680 175.252 174.600 -0.047 0.000 1.031 830 S CA 0.601 58.821 58.200 0.033 0.000 0.996 830 S CB -0.609 62.641 63.200 0.084 0.000 0.882 830 S HN 0.334 nan 8.310 nan 0.000 0.445 831 E N 1.404 121.542 120.200 -0.104 0.000 2.342 831 E HA 0.342 4.693 4.350 0.002 0.000 0.257 831 E C 0.079 176.502 176.600 -0.294 0.000 1.150 831 E CA 0.102 56.460 56.400 -0.069 0.000 0.926 831 E CB 0.654 30.526 29.700 0.287 0.000 1.074 831 E HN 0.500 nan 8.360 nan 0.000 0.449 832 S N 1.078 116.758 115.700 -0.034 0.000 2.596 832 S HA 0.089 4.560 4.470 0.002 0.000 0.248 832 S C -0.012 174.654 174.600 0.111 0.000 1.162 832 S CA -0.815 57.366 58.200 -0.031 0.000 1.185 832 S CB -0.347 62.890 63.200 0.060 0.000 0.833 832 S HN 0.650 nan 8.310 nan 0.000 0.472 833 W N -0.811 120.439 121.300 -0.083 0.000 2.653 833 W HA 0.500 5.161 4.660 0.002 0.000 0.391 833 W C 0.807 177.201 176.519 -0.208 0.000 0.962 833 W CA -0.565 56.804 57.345 0.041 0.000 1.900 833 W CB -0.926 28.563 29.460 0.048 0.000 1.176 833 W HN 0.312 nan 8.180 nan 0.000 0.582 834 G N 3.763 112.112 108.800 -0.752 0.000 2.513 834 G HA2 -0.399 3.563 3.960 0.002 0.000 0.219 834 G HA3 -0.399 3.563 3.960 0.002 0.000 0.219 834 G C 1.171 175.723 174.900 -0.579 0.000 1.160 834 G CA 1.730 46.029 45.100 -1.335 0.000 0.767 834 G HN 0.291 nan 8.290 nan 0.000 0.571 835 N N -0.866 117.573 118.700 -0.435 0.000 2.276 835 N HA 0.179 4.920 4.740 0.002 0.000 0.212 835 N C 0.503 175.793 175.510 -0.367 0.000 1.127 835 N CA -0.061 52.791 53.050 -0.330 0.000 0.834 835 N CB -0.030 38.234 38.487 -0.371 0.000 1.014 835 N HN 0.427 nan 8.380 nan 0.000 0.491 836 Y N -0.367 119.997 120.300 0.107 0.000 2.664 836 Y HA 0.426 4.977 4.550 0.002 0.000 0.278 836 Y C 0.162 176.180 175.900 0.197 0.000 1.130 836 Y CA -0.286 57.904 58.100 0.150 0.000 1.260 836 Y CB 0.561 39.107 38.460 0.142 0.000 1.369 836 Y HN -0.054 nan 8.280 nan 0.000 0.499 837 L N 0.416 121.907 121.223 0.446 0.000 2.362 837 L HA 0.524 4.865 4.340 0.002 0.000 0.271 837 L C 0.013 177.237 176.870 0.590 0.000 1.002 837 L CA -0.832 54.279 54.840 0.452 0.000 0.818 837 L CB 1.702 44.066 42.059 0.508 0.000 1.298 837 L HN 0.109 nan 8.230 nan 0.000 0.420 838 T N 0.625 115.456 114.554 0.460 0.000 2.885 838 T HA 0.786 5.138 4.350 0.002 0.000 0.285 838 T C -0.257 174.573 174.700 0.217 0.000 1.019 838 T CA -0.593 61.773 62.100 0.443 0.000 1.010 838 T CB 1.132 70.124 68.868 0.206 0.000 1.022 838 T HN 0.320 nan 8.240 nan 0.000 0.466 839 I N 2.202 122.773 120.570 0.003 0.000 2.339 839 I HA 0.390 4.561 4.170 0.002 0.000 0.290 839 I C -0.006 176.075 176.117 -0.060 0.000 0.994 839 I CA -0.879 60.425 61.300 0.006 0.000 1.191 839 I CB 1.467 39.487 38.000 0.035 0.000 1.343 839 I HN 0.836 nan 8.210 nan 0.000 0.458 840 C N 5.901 125.181 119.300 -0.033 0.000 2.409 840 C HA 0.567 5.029 4.460 0.002 0.000 0.297 840 C C 0.988 175.929 174.990 -0.081 0.000 1.083 840 C CA -0.543 58.455 59.018 -0.033 0.000 1.515 840 C CB -0.731 26.999 27.740 -0.016 0.000 1.869 840 C HN 0.969 nan 8.230 nan 0.000 0.413 841 G N 5.033 113.780 108.800 -0.088 0.000 2.778 841 G HA2 0.451 4.412 3.960 0.002 0.000 0.287 841 G HA3 0.451 4.412 3.960 0.002 0.000 0.287 841 G C 0.581 175.311 174.900 -0.283 0.000 0.747 841 G CA 0.319 45.263 45.100 -0.259 0.000 1.961 841 G HN 1.405 nan 8.290 nan 0.000 0.539 842 A N 2.635 125.336 122.820 -0.198 0.000 2.395 842 A HA 0.413 4.734 4.320 0.002 0.000 0.286 842 A C 0.526 177.995 177.584 -0.192 0.000 1.193 842 A CA -0.364 51.574 52.037 -0.164 0.000 0.852 842 A CB 0.782 19.742 19.000 -0.066 0.000 1.118 842 A HN 1.316 nan 8.150 nan 0.000 0.524 843 V N 6.071 125.866 119.914 -0.197 0.000 2.322 843 V HA 0.385 4.506 4.120 0.002 0.000 0.258 843 V C -0.195 175.852 176.094 -0.079 0.000 1.074 843 V CA -0.596 61.621 62.300 -0.137 0.000 0.909 843 V CB -0.730 31.035 31.823 -0.097 0.000 1.090 843 V HN 0.576 nan 8.190 nan 0.000 0.486 844 I N 6.644 127.161 120.570 -0.089 0.000 2.648 844 I HA 0.480 4.652 4.170 0.002 0.000 0.284 844 I C 1.229 177.333 176.117 -0.023 0.000 1.153 844 I CA 1.293 62.550 61.300 -0.072 0.000 1.426 844 I CB 0.657 38.611 38.000 -0.078 0.000 1.381 844 I HN 0.675 nan 8.210 nan 0.000 0.571 845 G N 4.429 113.217 108.800 -0.020 0.000 2.597 845 G HA2 0.241 4.202 3.960 0.002 0.000 0.317 845 G HA3 0.241 4.202 3.960 0.002 0.000 0.317 845 G C -1.188 173.868 174.900 0.259 0.000 1.230 845 G CA -0.663 44.519 45.100 0.137 0.000 0.996 845 G HN 0.645 nan 8.290 nan 0.000 0.490 846 W N 1.840 123.241 121.300 0.168 0.000 2.550 846 W HA -0.002 4.660 4.660 0.002 0.000 0.361 846 W C -0.460 176.197 176.519 0.230 0.000 1.014 846 W CA 0.262 57.710 57.345 0.171 0.000 1.069 846 W CB -0.859 28.716 29.460 0.193 0.000 1.115 846 W HN 0.181 nan 8.180 nan 0.000 0.586 847 T N 7.804 122.672 114.554 0.523 0.000 2.947 847 T HA 0.175 4.526 4.350 0.002 0.000 0.337 847 T C 1.442 176.390 174.700 0.412 0.000 1.139 847 T CA -0.646 61.706 62.100 0.419 0.000 0.992 847 T CB 0.510 69.524 68.868 0.244 0.000 1.043 847 T HN 0.455 nan 8.240 nan 0.000 0.498 848 R N 1.905 122.670 120.500 0.442 0.000 2.193 848 R HA 0.038 4.379 4.340 0.002 0.000 0.229 848 R C 1.265 177.716 176.300 0.252 0.000 1.110 848 R CA 0.230 56.554 56.100 0.373 0.000 0.988 848 R CB -0.632 29.827 30.300 0.266 0.000 0.871 848 R HN 0.504 nan 8.270 nan 0.000 0.458 849 G N 1.698 110.630 108.800 0.219 0.000 2.257 849 G HA2 -0.115 3.846 3.960 0.002 0.000 0.235 849 G HA3 -0.115 3.846 3.960 0.002 0.000 0.235 849 G C -0.114 174.868 174.900 0.138 0.000 1.225 849 G CA 0.365 45.566 45.100 0.169 0.000 0.878 849 G HN 0.311 nan 8.290 nan 0.000 0.505 850 T N 1.487 116.111 114.554 0.117 0.000 2.642 850 T HA 0.423 4.774 4.350 0.002 0.000 0.258 850 T C 1.134 175.869 174.700 0.057 0.000 1.022 850 T CA 1.023 63.171 62.100 0.081 0.000 1.266 850 T CB -0.511 68.399 68.868 0.070 0.000 0.987 850 T HN 1.197 nan 8.240 nan 0.000 0.518 851 G N 3.232 112.056 108.800 0.040 0.000 3.159 851 G HA2 0.338 4.299 3.960 0.002 0.000 0.150 851 G HA3 0.338 4.299 3.960 0.002 0.000 0.150 851 G C 0.236 175.127 174.900 -0.016 0.000 1.193 851 G CA -0.366 44.747 45.100 0.023 0.000 1.177 851 G HN 0.614 nan 8.290 nan 0.000 0.635 852 L N 0.238 121.437 121.223 -0.039 0.000 2.591 852 L HA 0.562 4.904 4.340 0.002 0.000 0.228 852 L C 1.054 177.831 176.870 -0.155 0.000 1.133 852 L CA 0.330 55.110 54.840 -0.101 0.000 0.880 852 L CB -0.073 41.911 42.059 -0.124 0.000 1.033 852 L HN 0.314 nan 8.230 nan 0.000 0.450 853 M N -1.563 117.967 119.600 -0.117 0.000 3.189 853 M HA 0.126 4.607 4.480 0.002 0.000 0.365 853 M C 0.923 177.183 176.300 -0.067 0.000 1.447 853 M CA -0.101 55.099 55.300 -0.167 0.000 0.739 853 M CB 1.099 33.541 32.600 -0.263 0.000 1.411 853 M HN -0.050 nan 8.290 nan 0.000 0.494 854 S N 0.446 116.115 115.700 -0.052 0.000 2.357 854 S HA 0.011 4.482 4.470 0.002 0.000 0.221 854 S C 1.832 176.409 174.600 -0.038 0.000 1.031 854 S CA 1.592 59.781 58.200 -0.019 0.000 0.982 854 S CB 0.167 63.358 63.200 -0.014 0.000 0.853 854 S HN 0.701 nan 8.310 nan 0.000 0.458 855 A N 1.528 124.317 122.820 -0.052 0.000 2.168 855 A HA 0.060 4.381 4.320 0.002 0.000 0.215 855 A C 1.286 178.845 177.584 -0.041 0.000 1.152 855 A CA 0.716 52.724 52.037 -0.049 0.000 0.716 855 A CB -0.348 18.627 19.000 -0.042 0.000 0.794 855 A HN 0.380 nan 8.150 nan 0.000 0.465 856 N N 0.854 119.533 118.700 -0.035 0.000 2.421 856 N HA -0.007 4.734 4.740 0.002 0.000 0.201 856 N C 0.476 176.123 175.510 0.229 0.000 1.198 856 N CA 0.228 53.307 53.050 0.048 0.000 0.838 856 N CB -0.059 38.326 38.487 -0.170 0.000 1.011 856 N HN 0.418 nan 8.380 nan 0.000 0.463 857 N N -0.210 118.470 118.700 -0.033 0.000 2.415 857 N HA 0.157 4.899 4.740 0.002 0.000 0.174 857 N C 1.638 176.880 175.510 -0.447 0.000 1.048 857 N CA 0.092 52.942 53.050 -0.334 0.000 0.895 857 N CB 0.170 38.177 38.487 -0.800 0.000 1.036 857 N HN 0.204 nan 8.380 nan 0.000 0.449 858 L N 0.178 121.261 121.223 -0.234 0.000 2.042 858 L HA -0.081 4.260 4.340 0.002 0.000 0.210 858 L C 1.425 178.294 176.870 -0.002 0.000 1.076 858 L CA 0.977 55.757 54.840 -0.100 0.000 0.749 858 L CB -0.299 41.742 42.059 -0.029 0.000 0.893 858 L HN -0.028 nan 8.230 nan 0.000 0.432 859 V N -0.557 119.399 119.914 0.070 0.000 3.649 859 V HA 0.091 4.213 4.120 0.002 0.000 0.275 859 V C 2.271 178.436 176.094 0.118 0.000 1.281 859 V CA 0.728 63.110 62.300 0.136 0.000 1.143 859 V CB -0.324 31.631 31.823 0.221 0.000 0.892 859 V HN 0.351 nan 8.190 nan 0.000 0.441 860 A N 1.961 124.804 122.820 0.039 0.000 1.851 860 A HA -0.264 4.058 4.320 0.002 0.000 0.216 860 A C 2.261 179.699 177.584 -0.245 0.000 1.195 860 A CA 2.128 54.035 52.037 -0.217 0.000 0.622 860 A CB -0.380 18.541 19.000 -0.131 0.000 0.831 860 A HN 0.741 nan 8.150 nan 0.000 0.444 861 E N -0.562 119.596 120.200 -0.070 0.000 2.106 861 E HA 0.029 4.381 4.350 0.002 0.000 0.192 861 E C 1.957 178.523 176.600 -0.057 0.000 0.984 861 E CA 1.064 57.428 56.400 -0.060 0.000 0.806 861 E CB -0.824 28.883 29.700 0.011 0.000 0.750 861 E HN 0.387 nan 8.360 nan 0.000 0.458 862 G N 1.620 110.409 108.800 -0.018 0.000 2.514 862 G HA2 -0.303 3.658 3.960 0.002 0.000 0.217 862 G HA3 -0.303 3.658 3.960 0.002 0.000 0.217 862 G C 1.734 176.633 174.900 -0.003 0.000 1.198 862 G CA 1.484 46.588 45.100 0.006 0.000 0.780 862 G HN 0.239 nan 8.290 nan 0.000 0.565 863 V N 0.569 120.476 119.914 -0.013 0.000 2.594 863 V HA -0.125 3.997 4.120 0.002 0.000 0.253 863 V C 2.515 178.577 176.094 -0.054 0.000 1.069 863 V CA 2.080 64.385 62.300 0.008 0.000 1.082 863 V CB -0.315 31.535 31.823 0.045 0.000 0.680 863 V HN 0.510 nan 8.190 nan 0.000 0.469 864 E N -0.113 120.002 120.200 -0.141 0.000 2.208 864 E HA -0.181 4.170 4.350 0.002 0.000 0.193 864 E C 2.241 178.795 176.600 -0.076 0.000 0.988 864 E CA 0.549 56.859 56.400 -0.150 0.000 0.828 864 E CB 0.011 29.580 29.700 -0.218 0.000 0.763 864 E HN 0.524 nan 8.360 nan 0.000 0.478 865 K N 0.270 120.640 120.400 -0.048 0.000 2.127 865 K HA -0.142 4.179 4.320 0.002 0.000 0.208 865 K C 1.502 178.101 176.600 -0.002 0.000 1.047 865 K CA 0.949 57.223 56.287 -0.021 0.000 0.927 865 K CB -0.075 32.422 32.500 -0.006 0.000 0.716 865 K HN 0.224 nan 8.250 nan 0.000 0.450 866 L N 0.325 121.556 121.223 0.014 0.000 2.713 866 L HA 0.045 4.386 4.340 0.002 0.000 0.245 866 L C 0.812 177.709 176.870 0.044 0.000 1.169 866 L CA 0.419 55.281 54.840 0.036 0.000 0.962 866 L CB -0.651 41.444 42.059 0.060 0.000 1.161 866 L HN 0.457 nan 8.230 nan 0.000 0.427 867 G N 0.202 109.020 108.800 0.030 0.000 2.149 867 G HA2 -0.222 3.739 3.960 0.002 0.000 0.235 867 G HA3 -0.222 3.739 3.960 0.002 0.000 0.235 867 G C -0.236 174.737 174.900 0.122 0.000 1.018 867 G CA 0.281 45.413 45.100 0.053 0.000 0.728 867 G HN 0.243 nan 8.290 nan 0.000 0.508 868 V N -0.909 119.052 119.914 0.079 0.000 3.126 868 V HA 0.968 5.090 4.120 0.002 0.000 0.314 868 V C -0.155 175.864 176.094 -0.124 0.000 1.138 868 V CA -0.927 61.455 62.300 0.137 0.000 1.034 868 V CB 2.090 34.020 31.823 0.179 0.000 1.075 868 V HN 0.768 nan 8.190 nan 0.000 0.442 869 R N 1.388 121.730 120.500 -0.263 0.000 2.561 869 R HA 0.713 5.054 4.340 0.002 0.000 0.297 869 R C -0.629 175.372 176.300 -0.498 0.000 0.969 869 R CA 0.306 56.086 56.100 -0.533 0.000 0.879 869 R CB 1.822 31.543 30.300 -0.966 0.000 1.178 869 R HN 0.988 nan 8.270 nan 0.000 0.445 870 T N 0.543 114.778 114.554 -0.532 0.000 2.952 870 T HA 0.655 5.006 4.350 0.002 0.000 0.286 870 T C -0.577 173.859 174.700 -0.440 0.000 1.024 870 T CA -0.515 61.331 62.100 -0.423 0.000 1.029 870 T CB 0.733 69.197 68.868 -0.674 0.000 1.094 870 T HN 0.278 nan 8.240 nan 0.000 0.515 871 F N 0.897 120.848 119.950 0.002 0.000 2.538 871 F HA 0.624 5.152 4.527 0.002 0.000 0.325 871 F C 1.015 176.853 175.800 0.064 0.000 1.066 871 F CA -0.921 57.113 58.000 0.056 0.000 0.946 871 F CB 2.096 41.180 39.000 0.140 0.000 1.199 871 F HN 0.894 nan 8.300 nan 0.000 0.473 872 S N 0.660 116.489 115.700 0.214 0.000 2.669 872 S HA 0.236 4.707 4.470 0.002 0.000 0.270 872 S C 0.604 175.332 174.600 0.214 0.000 1.225 872 S CA -0.606 57.696 58.200 0.170 0.000 0.991 872 S CB 1.154 64.408 63.200 0.089 0.000 0.987 872 S HN 0.748 nan 8.310 nan 0.000 0.552 873 Q N 0.666 120.572 119.800 0.177 0.000 2.046 873 Q HA -0.172 4.169 4.340 0.002 0.000 0.200 873 Q C 2.375 178.485 176.000 0.183 0.000 0.975 873 Q CA 1.422 57.327 55.803 0.171 0.000 0.836 873 Q CB -0.405 28.415 28.738 0.136 0.000 0.896 873 Q HN 0.889 nan 8.270 nan 0.000 0.428 874 Q N 1.507 121.411 119.800 0.175 0.000 2.135 874 Q HA -0.222 4.119 4.340 0.002 0.000 0.204 874 Q C 1.430 177.628 176.000 0.331 0.000 0.981 874 Q CA 1.652 57.578 55.803 0.205 0.000 0.856 874 Q CB -0.348 28.495 28.738 0.175 0.000 0.902 874 Q HN 0.522 nan 8.270 nan 0.000 0.425 875 E N 0.172 120.558 120.200 0.309 0.000 2.031 875 E HA -0.095 4.257 4.350 0.002 0.000 0.193 875 E C 2.174 179.036 176.600 0.437 0.000 0.994 875 E CA 1.186 57.777 56.400 0.319 0.000 0.800 875 E CB -0.063 29.658 29.700 0.036 0.000 0.752 875 E HN 0.226 nan 8.360 nan 0.000 0.447 876 M N 0.307 120.088 119.600 0.301 0.000 2.202 876 M HA -0.136 4.346 4.480 0.002 0.000 0.262 876 M C 2.297 178.722 176.300 0.209 0.000 1.063 876 M CA 1.192 56.599 55.300 0.178 0.000 1.097 876 M CB -0.872 31.790 32.600 0.103 0.000 1.382 876 M HN 0.132 nan 8.290 nan 0.000 0.413 877 A N -0.426 122.533 122.820 0.232 0.000 1.873 877 A HA -0.196 4.125 4.320 0.002 0.000 0.215 877 A C 2.030 179.770 177.584 0.259 0.000 1.186 877 A CA 1.244 53.381 52.037 0.166 0.000 0.616 877 A CB -1.057 18.006 19.000 0.105 0.000 0.823 877 A HN 0.420 nan 8.150 nan 0.000 0.442 878 F N 2.148 122.263 119.950 0.274 0.000 2.043 878 F HA -0.285 4.244 4.527 0.002 0.000 0.297 878 F C 1.950 177.990 175.800 0.400 0.000 1.118 878 F CA 2.296 60.555 58.000 0.433 0.000 1.202 878 F CB -0.630 38.687 39.000 0.528 0.000 0.965 878 F HN 0.258 nan 8.300 nan 0.000 0.482 879 N N 0.733 119.591 118.700 0.263 0.000 2.104 879 N HA -0.200 4.541 4.740 0.002 0.000 0.190 879 N C 2.073 177.664 175.510 0.136 0.000 1.024 879 N CA 1.812 54.956 53.050 0.156 0.000 0.853 879 N CB -0.756 37.867 38.487 0.228 0.000 1.008 879 N HN 0.384 nan 8.380 nan 0.000 0.424 880 L N 0.299 121.596 121.223 0.124 0.000 2.023 880 L HA -0.033 4.308 4.340 0.002 0.000 0.205 880 L C 2.119 179.037 176.870 0.080 0.000 1.073 880 L CA 0.625 55.515 54.840 0.084 0.000 0.745 880 L CB -0.469 41.641 42.059 0.084 0.000 0.900 880 L HN 0.076 nan 8.230 nan 0.000 0.435 881 L N -0.202 121.075 121.223 0.090 0.000 2.263 881 L HA -0.203 4.138 4.340 0.002 0.000 0.216 881 L C 2.540 179.565 176.870 0.259 0.000 1.111 881 L CA 1.209 56.147 54.840 0.163 0.000 0.773 881 L CB -1.050 41.134 42.059 0.208 0.000 0.906 881 L HN 0.353 nan 8.230 nan 0.000 0.439 882 G N 0.398 109.301 108.800 0.172 0.000 2.459 882 G HA2 -0.230 3.732 3.960 0.002 0.000 0.217 882 G HA3 -0.230 3.732 3.960 0.002 0.000 0.217 882 G C 1.438 176.493 174.900 0.260 0.000 1.183 882 G CA 0.734 45.965 45.100 0.218 0.000 0.776 882 G HN 0.378 nan 8.290 nan 0.000 0.552 883 L N 0.334 121.639 121.223 0.136 0.000 2.551 883 L HA 0.118 4.459 4.340 0.002 0.000 0.228 883 L C 2.593 179.556 176.870 0.155 0.000 1.153 883 L CA 0.169 55.031 54.840 0.036 0.000 0.851 883 L CB -0.438 41.571 42.059 -0.082 0.000 0.959 883 L HN 0.192 nan 8.230 nan 0.000 0.451 884 M N 0.271 120.017 119.600 0.243 0.000 2.447 884 M HA 0.146 4.628 4.480 0.002 0.000 0.264 884 M C 1.299 177.895 176.300 0.493 0.000 1.095 884 M CA 0.218 55.770 55.300 0.422 0.000 1.125 884 M CB -0.445 32.327 32.600 0.287 0.000 1.389 884 M HN 0.218 nan 8.290 nan 0.000 0.459 885 A N 1.817 124.831 122.820 0.323 0.000 2.483 885 A HA 0.186 4.507 4.320 0.002 0.000 0.238 885 A C -1.440 176.246 177.584 0.171 0.000 1.070 885 A CA -0.935 51.226 52.037 0.206 0.000 0.770 885 A CB -0.380 18.706 19.000 0.143 0.000 1.008 885 A HN 0.110 nan 8.150 nan 0.000 0.497 886 P HA -0.215 nan 4.420 nan 0.000 0.216 886 P C 1.697 179.045 177.300 0.079 0.000 1.153 886 P CA 2.337 65.490 63.100 0.088 0.000 0.858 886 P CB 0.034 31.766 31.700 0.053 0.000 0.789 887 A N -0.169 122.701 122.820 0.083 0.000 1.859 887 A HA -0.256 4.066 4.320 0.002 0.000 0.218 887 A C 2.268 179.905 177.584 0.088 0.000 1.209 887 A CA 2.163 54.251 52.037 0.084 0.000 0.639 887 A CB -1.723 17.337 19.000 0.100 0.000 0.835 887 A HN 0.118 nan 8.150 nan 0.000 0.450 888 I N -0.488 120.147 120.570 0.108 0.000 2.315 888 I HA -0.197 3.974 4.170 0.002 0.000 0.248 888 I C 2.342 178.495 176.117 0.060 0.000 1.117 888 I CA 1.040 62.391 61.300 0.085 0.000 1.404 888 I CB -0.338 37.712 38.000 0.083 0.000 1.071 888 I HN 0.173 nan 8.210 nan 0.000 0.419 889 V N 1.298 121.256 119.914 0.074 0.000 2.380 889 V HA -0.329 3.792 4.120 0.002 0.000 0.251 889 V C 2.058 178.168 176.094 0.028 0.000 1.063 889 V CA 1.996 64.324 62.300 0.047 0.000 1.055 889 V CB -0.849 31.002 31.823 0.047 0.000 0.657 889 V HN 0.511 nan 8.190 nan 0.000 0.455 890 N N -0.303 118.419 118.700 0.037 0.000 2.300 890 N HA 0.000 4.742 4.740 0.002 0.000 0.179 890 N C 1.845 177.373 175.510 0.030 0.000 1.016 890 N CA 0.957 54.028 53.050 0.034 0.000 0.876 890 N CB -0.016 38.493 38.487 0.038 0.000 0.979 890 N HN 0.404 nan 8.380 nan 0.000 0.432 891 L N 0.672 121.913 121.223 0.029 0.000 2.012 891 L HA -0.199 4.143 4.340 0.002 0.000 0.210 891 L C 2.553 179.405 176.870 -0.029 0.000 1.073 891 L CA 1.011 55.862 54.840 0.018 0.000 0.748 891 L CB -0.564 41.514 42.059 0.033 0.000 0.891 891 L HN 0.228 nan 8.230 nan 0.000 0.431 892 C N -0.391 118.883 119.300 -0.043 0.000 2.411 892 C HA -0.173 4.288 4.460 0.002 0.000 0.279 892 C C 2.742 177.652 174.990 -0.133 0.000 1.288 892 C CA 0.710 59.655 59.018 -0.121 0.000 1.764 892 C CB -0.910 26.789 27.740 -0.069 0.000 1.974 892 C HN 0.541 nan 8.230 nan 0.000 0.498 893 Q N 0.591 120.390 119.800 -0.001 0.000 2.436 893 Q HA -0.080 4.261 4.340 0.002 0.000 0.209 893 Q C 2.086 178.184 176.000 0.162 0.000 0.965 893 Q CA 1.631 57.499 55.803 0.110 0.000 0.910 893 Q CB -0.079 28.713 28.738 0.091 0.000 0.980 893 Q HN 0.876 nan 8.270 nan 0.000 0.491 894 S N -1.137 114.596 115.700 0.055 0.000 2.539 894 S HA 0.134 4.605 4.470 0.002 0.000 0.226 894 S C 0.117 174.720 174.600 0.006 0.000 1.054 894 S CA -0.267 58.000 58.200 0.111 0.000 0.910 894 S CB 0.702 63.953 63.200 0.086 0.000 0.818 894 S HN 0.019 nan 8.310 nan 0.000 0.490 895 D N 1.631 121.887 120.400 -0.239 0.000 2.931 895 D HA 0.420 5.061 4.640 0.002 0.000 0.215 895 D C -3.207 172.835 176.300 -0.431 0.000 1.297 895 D CA -1.249 52.570 54.000 -0.301 0.000 0.892 895 D CB 2.056 42.860 40.800 0.006 0.000 1.642 895 D HN -0.087 nan 8.370 nan 0.000 0.560 896 P HA -0.030 nan 4.420 nan 0.000 0.266 896 P C -0.495 176.811 177.300 0.009 0.000 1.180 896 P CA -0.024 62.882 63.100 -0.323 0.000 0.765 896 P CB 0.669 32.304 31.700 -0.109 0.000 0.806 897 V N 4.525 124.464 119.914 0.042 0.000 2.448 897 V HA 0.365 4.486 4.120 0.002 0.000 0.295 897 V C -0.199 175.902 176.094 0.011 0.000 1.025 897 V CA -0.515 61.818 62.300 0.055 0.000 0.859 897 V CB 1.125 32.947 31.823 -0.002 0.000 0.988 897 V HN 0.419 nan 8.190 nan 0.000 0.431 898 F N 3.630 123.411 119.950 -0.282 0.000 2.377 898 F HA 0.739 5.267 4.527 0.002 0.000 0.328 898 F C 0.399 176.058 175.800 -0.236 0.000 1.094 898 F CA -0.240 57.459 58.000 -0.500 0.000 1.093 898 F CB 1.461 39.843 39.000 -1.030 0.000 1.214 898 F HN 0.525 nan 8.300 nan 0.000 0.518 899 A N 4.369 127.280 122.820 0.152 0.000 2.969 899 A HA 0.168 4.489 4.320 0.002 0.000 0.303 899 A C -1.341 176.240 177.584 -0.004 0.000 1.198 899 A CA -0.653 51.388 52.037 0.007 0.000 0.819 899 A CB -0.083 18.812 19.000 -0.176 0.000 1.385 899 A HN 0.648 nan 8.150 nan 0.000 0.479 900 D N 2.782 123.190 120.400 0.014 0.000 2.356 900 D HA 0.108 4.749 4.640 0.002 0.000 0.272 900 D C 0.289 176.518 176.300 -0.120 0.000 1.337 900 D CA 0.287 54.233 54.000 -0.090 0.000 0.970 900 D CB 0.398 40.957 40.800 -0.401 0.000 1.092 900 D HN 0.537 nan 8.370 nan 0.000 0.516 901 L N 3.306 124.506 121.223 -0.038 0.000 2.984 901 L HA 0.184 4.525 4.340 0.002 0.000 0.246 901 L C 0.764 177.624 176.870 -0.016 0.000 1.268 901 L CA -0.572 54.253 54.840 -0.026 0.000 1.054 901 L CB -0.522 41.484 42.059 -0.089 0.000 1.393 901 L HN 0.166 nan 8.230 nan 0.000 0.532 902 N N 1.103 119.879 118.700 0.127 0.000 2.518 902 N HA 0.144 4.885 4.740 0.002 0.000 0.283 902 N C 1.087 176.906 175.510 0.515 0.000 1.119 902 N CA -0.057 53.160 53.050 0.277 0.000 0.983 902 N CB 1.891 40.530 38.487 0.252 0.000 1.139 902 N HN 0.161 nan 8.380 nan 0.000 0.465 903 G N 1.156 110.379 108.800 0.706 0.000 3.229 903 G HA2 0.221 4.183 3.960 0.002 0.000 0.214 903 G HA3 0.221 4.183 3.960 0.002 0.000 0.214 903 G C 0.922 176.224 174.900 0.669 0.000 1.256 903 G CA 0.163 45.643 45.100 0.633 0.000 1.042 903 G HN 1.029 nan 8.290 nan 0.000 0.497 904 G N -0.566 108.645 108.800 0.685 0.000 2.143 904 G HA2 -0.298 3.664 3.960 0.002 0.000 0.248 904 G HA3 -0.298 3.664 3.960 0.002 0.000 0.248 904 G C 1.018 176.240 174.900 0.538 0.000 0.991 904 G CA 0.371 45.827 45.100 0.593 0.000 0.689 904 G HN 0.514 nan 8.290 nan 0.000 0.522 905 L N -0.187 121.311 121.223 0.458 0.000 2.633 905 L HA 0.037 4.378 4.340 0.002 0.000 0.235 905 L C 2.464 179.541 176.870 0.345 0.000 1.163 905 L CA 1.291 56.364 54.840 0.389 0.000 0.859 905 L CB -0.079 42.213 42.059 0.388 0.000 0.973 905 L HN 0.354 nan 8.230 nan 0.000 0.451 906 Q N -1.105 118.914 119.800 0.364 0.000 2.541 906 Q HA -0.063 4.278 4.340 0.002 0.000 0.215 906 Q C 1.084 177.045 176.000 -0.066 0.000 0.977 906 Q CA 1.205 57.088 55.803 0.133 0.000 0.934 906 Q CB -0.154 28.612 28.738 0.047 0.000 0.988 906 Q HN 0.483 nan 8.270 nan 0.000 0.521 907 F N -0.828 119.187 119.950 0.109 0.000 2.740 907 F HA 0.293 4.822 4.527 0.002 0.000 0.304 907 F C 0.473 176.321 175.800 0.079 0.000 1.098 907 F CA -0.566 57.482 58.000 0.079 0.000 1.258 907 F CB 0.755 39.794 39.000 0.066 0.000 1.061 907 F HN -0.092 nan 8.300 nan 0.000 0.598 908 I N 3.931 124.665 120.570 0.273 0.000 2.363 908 I HA 0.191 4.362 4.170 0.002 0.000 0.292 908 I C -2.432 173.757 176.117 0.121 0.000 1.075 908 I CA -1.612 59.798 61.300 0.184 0.000 1.333 908 I CB -0.017 38.099 38.000 0.194 0.000 1.415 908 I HN -0.202 nan 8.210 nan 0.000 0.502 909 P HA 0.269 nan 4.420 nan 0.000 0.290 909 P C -0.341 176.964 177.300 0.009 0.000 1.283 909 P CA -0.366 62.755 63.100 0.035 0.000 0.869 909 P CB 0.849 32.568 31.700 0.031 0.000 1.100 910 D N 0.187 120.566 120.400 -0.035 0.000 2.708 910 D HA -0.146 4.495 4.640 0.002 0.000 0.236 910 D C 0.729 176.980 176.300 -0.081 0.000 1.146 910 D CA 0.171 54.128 54.000 -0.071 0.000 0.662 910 D CB -0.640 40.138 40.800 -0.037 0.000 1.059 910 D HN 0.201 nan 8.370 nan 0.000 0.428 911 L N 1.418 122.579 121.223 -0.102 0.000 2.043 911 L HA -0.164 4.177 4.340 0.002 0.000 0.212 911 L C 2.477 179.275 176.870 -0.120 0.000 1.075 911 L CA 2.917 57.730 54.840 -0.045 0.000 0.752 911 L CB -0.786 41.291 42.059 0.030 0.000 0.891 911 L HN 0.471 nan 8.230 nan 0.000 0.432 912 K N -1.359 118.808 120.400 -0.389 0.000 2.147 912 K HA -0.076 4.245 4.320 0.002 0.000 0.205 912 K C 1.954 178.494 176.600 -0.100 0.000 1.049 912 K CA 1.504 57.596 56.287 -0.325 0.000 0.936 912 K CB -1.018 31.151 32.500 -0.551 0.000 0.722 912 K HN 0.320 nan 8.250 nan 0.000 0.446 913 G N 2.065 110.811 108.800 -0.090 0.000 2.404 913 G HA2 -0.240 3.721 3.960 0.002 0.000 0.215 913 G HA3 -0.240 3.721 3.960 0.002 0.000 0.215 913 G C 1.465 176.369 174.900 0.007 0.000 1.174 913 G CA 0.844 45.925 45.100 -0.031 0.000 0.780 913 G HN 0.312 nan 8.290 nan 0.000 0.537 914 L N 0.776 122.011 121.223 0.020 0.000 1.990 914 L HA -0.103 4.238 4.340 0.002 0.000 0.213 914 L C 2.792 179.709 176.870 0.077 0.000 1.072 914 L CA 2.104 56.977 54.840 0.054 0.000 0.755 914 L CB -0.686 41.420 42.059 0.078 0.000 0.889 914 L HN 0.299 nan 8.230 nan 0.000 0.432 915 M N -0.444 119.218 119.600 0.103 0.000 2.065 915 M HA -0.208 4.273 4.480 0.002 0.000 0.259 915 M C 2.187 178.541 176.300 0.091 0.000 1.071 915 M CA 2.707 58.090 55.300 0.138 0.000 1.109 915 M CB -1.432 31.275 32.600 0.178 0.000 1.313 915 M HN 0.576 nan 8.290 nan 0.000 0.408 916 T N -0.903 113.690 114.554 0.064 0.000 2.822 916 T HA -0.205 4.147 4.350 0.002 0.000 0.270 916 T C 1.693 176.417 174.700 0.040 0.000 1.064 916 T CA 1.708 63.836 62.100 0.046 0.000 1.131 916 T CB -0.438 68.448 68.868 0.030 0.000 0.858 916 T HN 0.417 nan 8.240 nan 0.000 0.483 917 K N 0.869 121.294 120.400 0.041 0.000 2.001 917 K HA 0.020 4.341 4.320 0.002 0.000 0.208 917 K C 2.367 178.992 176.600 0.041 0.000 1.048 917 K CA 1.162 57.471 56.287 0.036 0.000 0.932 917 K CB -0.367 32.154 32.500 0.035 0.000 0.715 917 K HN 0.358 nan 8.250 nan 0.000 0.437 918 L N 0.860 122.115 121.223 0.053 0.000 2.017 918 L HA -0.180 4.162 4.340 0.002 0.000 0.208 918 L C 2.797 179.698 176.870 0.051 0.000 1.073 918 L CA 1.054 55.927 54.840 0.055 0.000 0.745 918 L CB -0.434 41.668 42.059 0.072 0.000 0.894 918 L HN 0.212 nan 8.230 nan 0.000 0.432 919 R N 0.304 120.838 120.500 0.056 0.000 2.159 919 R HA -0.290 4.051 4.340 0.002 0.000 0.249 919 R C 2.258 178.579 176.300 0.034 0.000 1.136 919 R CA 2.163 58.290 56.100 0.045 0.000 0.951 919 R CB -0.506 29.821 30.300 0.045 0.000 0.876 919 R HN 0.357 nan 8.270 nan 0.000 0.440 920 K N 0.722 121.142 120.400 0.032 0.000 1.965 920 K HA -0.188 4.133 4.320 0.002 0.000 0.214 920 K C 2.003 178.619 176.600 0.026 0.000 1.046 920 K CA 2.036 58.339 56.287 0.027 0.000 0.944 920 K CB -0.111 32.404 32.500 0.024 0.000 0.726 920 K HN 0.215 nan 8.250 nan 0.000 0.441 921 E N 0.587 120.803 120.200 0.028 0.000 2.068 921 E HA -0.270 4.081 4.350 0.002 0.000 0.207 921 E C 2.087 178.703 176.600 0.027 0.000 1.032 921 E CA 2.176 58.592 56.400 0.026 0.000 0.839 921 E CB -0.374 29.343 29.700 0.028 0.000 0.758 921 E HN 0.381 nan 8.360 nan 0.000 0.457 922 I N 0.438 121.026 120.570 0.030 0.000 2.127 922 I HA -0.310 3.862 4.170 0.002 0.000 0.241 922 I C 2.534 178.667 176.117 0.027 0.000 1.075 922 I CA 0.979 62.298 61.300 0.031 0.000 1.334 922 I CB -0.364 37.657 38.000 0.034 0.000 1.040 922 I HN 0.198 nan 8.210 nan 0.000 0.405 923 M N 0.098 119.713 119.600 0.026 0.000 2.159 923 M HA -0.205 4.277 4.480 0.002 0.000 0.263 923 M C 2.147 178.459 176.300 0.021 0.000 1.063 923 M CA 1.632 56.945 55.300 0.023 0.000 1.110 923 M CB -1.169 31.443 32.600 0.021 0.000 1.374 923 M HN 0.295 nan 8.290 nan 0.000 0.411 924 E N -0.039 120.173 120.200 0.021 0.000 2.008 924 E HA -0.158 4.193 4.350 0.002 0.000 0.191 924 E C 1.858 178.469 176.600 0.019 0.000 0.986 924 E CA 2.057 58.469 56.400 0.019 0.000 0.807 924 E CB 0.067 29.778 29.700 0.019 0.000 0.766 924 E HN 0.572 nan 8.360 nan 0.000 0.450 925 T N -0.808 113.757 114.554 0.020 0.000 2.803 925 T HA -0.207 4.144 4.350 0.002 0.000 0.269 925 T C 2.114 176.826 174.700 0.020 0.000 1.052 925 T CA 1.714 63.826 62.100 0.019 0.000 1.136 925 T CB -0.560 68.320 68.868 0.020 0.000 0.864 925 T HN 0.200 nan 8.240 nan 0.000 0.467 926 S N 2.311 118.023 115.700 0.021 0.000 2.371 926 S HA 0.160 4.632 4.470 0.002 0.000 0.224 926 S C 2.511 177.123 174.600 0.020 0.000 1.029 926 S CA 0.819 59.032 58.200 0.022 0.000 0.978 926 S CB -0.975 62.239 63.200 0.024 0.000 0.833 926 S HN 0.745 nan 8.310 nan 0.000 0.466 927 A N 2.233 125.064 122.820 0.019 0.000 1.877 927 A HA 0.061 4.382 4.320 0.002 0.000 0.216 927 A C 2.260 179.854 177.584 0.016 0.000 1.186 927 A CA 1.566 53.614 52.037 0.017 0.000 0.620 927 A CB -0.977 18.033 19.000 0.017 0.000 0.822 927 A HN 0.615 nan 8.150 nan 0.000 0.443 928 I N -1.079 119.501 120.570 0.016 0.000 2.118 928 I HA -0.316 3.856 4.170 0.002 0.000 0.241 928 I C 2.749 178.876 176.117 0.015 0.000 1.070 928 I CA 2.011 63.320 61.300 0.015 0.000 1.327 928 I CB -0.428 37.581 38.000 0.015 0.000 1.034 928 I HN 0.381 nan 8.210 nan 0.000 0.405 929 R N 1.069 121.579 120.500 0.016 0.000 2.083 929 R HA -0.243 4.098 4.340 0.002 0.000 0.237 929 R C 2.445 178.755 176.300 0.017 0.000 1.137 929 R CA 2.161 58.270 56.100 0.016 0.000 0.951 929 R CB -0.192 30.118 30.300 0.017 0.000 0.851 929 R HN 0.569 nan 8.270 nan 0.000 0.434 930 Q N -0.933 118.877 119.800 0.017 0.000 2.245 930 Q HA 0.051 4.392 4.340 0.002 0.000 0.201 930 Q C 1.912 177.922 176.000 0.017 0.000 0.955 930 Q CA 0.869 56.683 55.803 0.018 0.000 0.870 930 Q CB -0.061 28.688 28.738 0.018 0.000 0.945 930 Q HN 0.314 nan 8.270 nan 0.000 0.461 931 A N 1.954 124.784 122.820 0.016 0.000 1.834 931 A HA -0.160 4.161 4.320 0.002 0.000 0.216 931 A C 2.422 180.014 177.584 0.015 0.000 1.203 931 A CA 1.836 53.882 52.037 0.015 0.000 0.621 931 A CB -1.169 17.839 19.000 0.014 0.000 0.841 931 A HN 0.205 nan 8.150 nan 0.000 0.446 932 V N 0.578 120.501 119.914 0.014 0.000 2.277 932 V HA -0.375 3.746 4.120 0.002 0.000 0.253 932 V C 2.447 178.550 176.094 0.015 0.000 1.067 932 V CA 2.350 64.658 62.300 0.014 0.000 1.047 932 V CB -0.907 30.924 31.823 0.013 0.000 0.649 932 V HN 0.575 nan 8.190 nan 0.000 0.447 933 I N -0.730 119.849 120.570 0.016 0.000 2.091 933 I HA -0.350 3.821 4.170 0.002 0.000 0.239 933 I C 2.642 178.770 176.117 0.019 0.000 1.061 933 I CA 2.028 63.339 61.300 0.018 0.000 1.317 933 I CB -0.582 37.429 38.000 0.018 0.000 1.031 933 I HN 0.291 nan 8.210 nan 0.000 0.401 934 K N 0.365 120.775 120.400 0.018 0.000 2.020 934 K HA -0.220 4.102 4.320 0.002 0.000 0.212 934 K C 2.137 178.748 176.600 0.018 0.000 1.050 934 K CA 1.515 57.813 56.287 0.019 0.000 0.929 934 K CB -0.167 32.343 32.500 0.017 0.000 0.714 934 K HN 0.253 nan 8.250 nan 0.000 0.443 935 E N 0.002 120.212 120.200 0.016 0.000 2.048 935 E HA -0.217 4.135 4.350 0.002 0.000 0.202 935 E C 2.182 178.791 176.600 0.015 0.000 1.021 935 E CA 2.236 58.645 56.400 0.015 0.000 0.825 935 E CB -0.698 29.010 29.700 0.013 0.000 0.756 935 E HN 0.531 nan 8.360 nan 0.000 0.454 936 T N -0.672 113.891 114.554 0.015 0.000 2.777 936 T HA 0.001 4.352 4.350 0.002 0.000 0.266 936 T C 2.054 176.765 174.700 0.018 0.000 1.040 936 T CA 1.573 63.682 62.100 0.015 0.000 1.141 936 T CB -0.321 68.555 68.868 0.014 0.000 0.868 936 T HN 0.171 nan 8.240 nan 0.000 0.444 937 A N 0.588 123.422 122.820 0.022 0.000 2.121 937 A HA 0.284 4.605 4.320 0.002 0.000 0.218 937 A C 2.243 179.844 177.584 0.030 0.000 1.154 937 A CA 0.698 52.752 52.037 0.028 0.000 0.679 937 A CB -0.767 18.251 19.000 0.030 0.000 0.795 937 A HN 0.622 nan 8.150 nan 0.000 0.458 938 I N -1.118 119.467 120.570 0.024 0.000 2.703 938 I HA -0.103 4.068 4.170 0.002 0.000 0.259 938 I C 2.199 178.328 176.117 0.021 0.000 1.151 938 I CA 0.647 61.961 61.300 0.023 0.000 1.470 938 I CB -0.133 37.879 38.000 0.020 0.000 1.112 938 I HN 0.337 nan 8.210 nan 0.000 0.437 939 E N 0.904 121.114 120.200 0.017 0.000 2.153 939 E HA -0.202 4.150 4.350 0.002 0.000 0.194 939 E C 1.630 178.237 176.600 0.012 0.000 0.988 939 E CA 0.964 57.371 56.400 0.012 0.000 0.811 939 E CB -0.076 29.629 29.700 0.008 0.000 0.746 939 E HN 0.450 nan 8.360 nan 0.000 0.466 940 N N 0.996 119.707 118.700 0.019 0.000 2.142 940 N HA -0.115 4.626 4.740 0.002 0.000 0.186 940 N C 1.431 176.961 175.510 0.034 0.000 1.023 940 N CA 0.963 54.027 53.050 0.023 0.000 0.852 940 N CB -0.092 38.418 38.487 0.038 0.000 0.998 940 N HN 0.060 nan 8.380 nan 0.000 0.424 941 K N 0.181 120.605 120.400 0.041 0.000 2.209 941 K HA 0.005 4.327 4.320 0.002 0.000 0.204 941 K C 1.787 178.407 176.600 0.032 0.000 1.048 941 K CA 0.423 56.737 56.287 0.046 0.000 0.940 941 K CB 0.027 32.553 32.500 0.042 0.000 0.729 941 K HN -0.045 nan 8.250 nan 0.000 0.451 942 V N 0.021 119.947 119.914 0.021 0.000 2.379 942 V HA -0.188 3.934 4.120 0.002 0.000 0.245 942 V C 1.986 178.083 176.094 0.004 0.000 1.044 942 V CA 1.409 63.716 62.300 0.013 0.000 1.036 942 V CB 0.058 31.886 31.823 0.009 0.000 0.664 942 V HN 0.079 nan 8.190 nan 0.000 0.453 943 V N 0.369 120.281 119.914 -0.004 0.000 2.379 943 V HA -0.057 4.065 4.120 0.002 0.000 0.243 943 V C 1.889 177.958 176.094 -0.041 0.000 1.035 943 V CA 1.618 63.905 62.300 -0.023 0.000 1.035 943 V CB -0.602 31.201 31.823 -0.033 0.000 0.673 943 V HN 0.546 nan 8.190 nan 0.000 0.457 944 N N 0.349 119.022 118.700 -0.044 0.000 2.412 944 N HA 0.237 4.978 4.740 0.002 0.000 0.184 944 N C 0.899 176.421 175.510 0.019 0.000 1.101 944 N CA 0.926 53.924 53.050 -0.086 0.000 0.881 944 N CB 0.302 38.694 38.487 -0.157 0.000 0.969 944 N HN 0.542 nan 8.380 nan 0.000 0.459 945 G N 0.988 109.810 108.800 0.036 0.000 2.758 945 G HA2 -0.247 3.714 3.960 0.002 0.000 0.686 945 G HA3 -0.247 3.714 3.960 0.002 0.000 0.686 945 G C 0.362 175.313 174.900 0.085 0.000 1.389 945 G CA -0.248 44.886 45.100 0.056 0.000 0.845 945 G HN 0.059 nan 8.290 nan 0.000 0.572 946 E N 0.186 120.427 120.200 0.068 0.000 2.085 946 E HA -0.036 4.315 4.350 0.002 0.000 0.194 946 E C 2.202 178.855 176.600 0.088 0.000 0.994 946 E CA 1.960 58.401 56.400 0.068 0.000 0.801 946 E CB -0.140 29.588 29.700 0.048 0.000 0.743 946 E HN 0.561 nan 8.360 nan 0.000 0.453 947 D N -0.648 119.808 120.400 0.093 0.000 2.087 947 D HA -0.192 4.449 4.640 0.002 0.000 0.192 947 D C 1.945 178.337 176.300 0.154 0.000 0.993 947 D CA 1.326 55.386 54.000 0.100 0.000 0.828 947 D CB -0.692 40.163 40.800 0.091 0.000 0.968 947 D HN 0.308 nan 8.370 nan 0.000 0.448 948 H N 1.360 120.497 119.070 0.111 0.000 2.290 948 H HA -0.119 4.438 4.556 0.002 0.000 0.298 948 H C 1.785 177.255 175.328 0.237 0.000 1.087 948 H CA 1.623 57.776 56.048 0.175 0.000 1.291 948 H CB 0.208 30.006 29.762 0.061 0.000 1.369 948 H HN 0.013 nan 8.280 nan 0.000 0.492 949 E N 0.733 121.103 120.200 0.283 0.000 2.049 949 E HA -0.165 4.187 4.350 0.002 0.000 0.198 949 E C 2.427 179.102 176.600 0.124 0.000 1.007 949 E CA 1.106 57.625 56.400 0.199 0.000 0.809 949 E CB -0.683 29.111 29.700 0.158 0.000 0.749 949 E HN 0.581 nan 8.360 nan 0.000 0.450 950 A N 1.437 124.312 122.820 0.091 0.000 1.873 950 A HA -0.184 4.137 4.320 0.002 0.000 0.218 950 A C 2.343 179.923 177.584 -0.006 0.000 1.193 950 A CA 1.634 53.696 52.037 0.042 0.000 0.629 950 A CB -0.880 18.139 19.000 0.031 0.000 0.826 950 A HN 0.260 nan 8.150 nan 0.000 0.447 951 L N -2.409 118.787 121.223 -0.045 0.000 2.549 951 L HA -0.065 4.277 4.340 0.002 0.000 0.229 951 L C 0.408 176.977 176.870 -0.500 0.000 1.158 951 L CA 0.605 55.285 54.840 -0.266 0.000 0.842 951 L CB -0.452 41.395 42.059 -0.353 0.000 0.952 951 L HN 0.483 nan 8.230 nan 0.000 0.452 952 Y N 0.198 120.423 120.300 -0.126 0.000 2.557 952 Y HA 0.370 4.921 4.550 0.002 0.000 0.352 952 Y C 0.209 176.076 175.900 -0.055 0.000 0.918 952 Y CA -0.584 57.448 58.100 -0.113 0.000 1.232 952 Y CB 0.307 38.649 38.460 -0.197 0.000 1.235 952 Y HN -0.013 nan 8.280 nan 0.000 0.596 953 R N 0.275 120.795 120.500 0.033 0.000 2.562 953 R HA 0.456 4.797 4.340 0.002 0.000 0.298 953 R C -0.245 176.062 176.300 0.013 0.000 0.961 953 R CA -1.151 54.969 56.100 0.034 0.000 0.881 953 R CB 1.661 31.977 30.300 0.026 0.000 1.159 953 R HN 0.252 nan 8.270 nan 0.000 0.450 954 R N 1.679 122.192 120.500 0.023 0.000 2.638 954 R HA -0.043 4.298 4.340 0.002 0.000 0.351 954 R C -0.289 176.015 176.300 0.007 0.000 0.871 954 R CA 0.240 56.349 56.100 0.015 0.000 1.091 954 R CB 0.040 30.353 30.300 0.021 0.000 0.900 954 R HN 0.304 nan 8.270 nan 0.000 0.405 955 V N 7.183 127.095 119.914 -0.004 0.000 2.403 955 V HA 0.033 4.154 4.120 0.002 0.000 0.265 955 V C 0.802 176.899 176.094 0.004 0.000 1.034 955 V CA 0.366 62.663 62.300 -0.005 0.000 1.036 955 V CB 0.230 32.042 31.823 -0.017 0.000 1.032 955 V HN 0.566 nan 8.190 nan 0.000 0.478 956 I N 5.651 126.227 120.570 0.010 0.000 2.291 956 I HA 0.181 4.352 4.170 0.002 0.000 0.290 956 I C 1.056 177.183 176.117 0.018 0.000 1.050 956 I CA -0.310 60.999 61.300 0.015 0.000 1.245 956 I CB 1.300 39.311 38.000 0.018 0.000 1.405 956 I HN 0.672 nan 8.210 nan 0.000 0.478 957 T N 2.492 117.057 114.554 0.018 0.000 2.946 957 T HA 0.062 4.413 4.350 0.002 0.000 0.312 957 T C 0.079 174.796 174.700 0.029 0.000 1.066 957 T CA -0.489 61.624 62.100 0.022 0.000 1.138 957 T CB 0.480 69.361 68.868 0.021 0.000 1.014 957 T HN 0.478 nan 8.240 nan 0.000 0.544 958 E N 3.246 123.467 120.200 0.034 0.000 2.200 958 E HA 0.306 4.657 4.350 0.002 0.000 0.283 958 E C -2.241 174.389 176.600 0.050 0.000 1.015 958 E CA -1.939 54.486 56.400 0.042 0.000 0.819 958 E CB 0.483 30.211 29.700 0.046 0.000 1.081 958 E HN 0.541 nan 8.360 nan 0.000 0.397 959 P HA 0.078 nan 4.420 nan 0.000 0.271 959 P C -0.552 176.795 177.300 0.078 0.000 1.233 959 P CA 0.183 63.321 63.100 0.063 0.000 0.764 959 P CB 0.664 32.401 31.700 0.063 0.000 0.825 960 R N 1.598 122.147 120.500 0.081 0.000 2.719 960 R HA 0.840 5.181 4.340 0.002 0.000 0.233 960 R C -0.421 175.948 176.300 0.115 0.000 1.257 960 R CA -1.006 55.156 56.100 0.103 0.000 1.109 960 R CB 1.230 31.584 30.300 0.091 0.000 1.447 960 R HN 0.471 nan 8.270 nan 0.000 0.537 961 A N 1.619 124.526 122.820 0.145 0.000 2.355 961 A HA 0.379 4.700 4.320 0.002 0.000 0.317 961 A C -1.219 176.468 177.584 0.172 0.000 1.094 961 A CA -0.885 51.246 52.037 0.157 0.000 0.764 961 A CB 0.989 20.097 19.000 0.179 0.000 1.230 961 A HN 0.784 nan 8.150 nan 0.000 0.448 962 N N 2.420 121.218 118.700 0.163 0.000 2.314 962 N HA 0.411 5.152 4.740 0.002 0.000 0.294 962 N C -1.599 174.047 175.510 0.228 0.000 1.029 962 N CA -0.542 52.624 53.050 0.194 0.000 0.845 962 N CB 1.360 39.938 38.487 0.151 0.000 1.321 962 N HN 0.457 nan 8.380 nan 0.000 0.481 963 L N 2.188 123.606 121.223 0.326 0.000 2.282 963 L HA 0.297 4.638 4.340 0.002 0.000 0.287 963 L C 0.432 177.523 176.870 0.368 0.000 1.075 963 L CA -0.575 54.439 54.840 0.289 0.000 0.839 963 L CB 0.327 42.541 42.059 0.260 0.000 1.219 963 L HN 0.352 nan 8.230 nan 0.000 0.434 964 K N 2.919 123.466 120.400 0.244 0.000 2.298 964 K HA 0.145 4.467 4.320 0.002 0.000 0.280 964 K C -0.736 175.963 176.600 0.165 0.000 1.032 964 K CA -0.353 56.102 56.287 0.279 0.000 0.958 964 K CB 0.866 33.452 32.500 0.143 0.000 0.978 964 K HN 0.304 nan 8.250 nan 0.000 0.472 965 Y N 4.360 124.749 120.300 0.149 0.000 2.751 965 Y HA 0.203 4.755 4.550 0.002 0.000 0.333 965 Y C -2.227 173.614 175.900 -0.099 0.000 1.122 965 Y CA -2.456 55.592 58.100 -0.088 0.000 1.367 965 Y CB 0.596 38.975 38.460 -0.134 0.000 1.242 965 Y HN 0.437 nan 8.280 nan 0.000 0.505 966 P HA 0.128 nan 4.420 nan 0.000 0.287 966 P C -0.700 176.714 177.300 0.188 0.000 1.281 966 P CA -0.070 63.042 63.100 0.020 0.000 0.781 966 P CB 0.616 32.324 31.700 0.013 0.000 0.903 967 F N 3.618 123.626 119.950 0.097 0.000 2.373 967 F HA 0.359 4.887 4.527 0.002 0.000 0.302 967 F C -1.453 174.309 175.800 -0.064 0.000 1.247 967 F CA -2.398 55.627 58.000 0.042 0.000 1.169 967 F CB -1.386 37.625 39.000 0.018 0.000 1.309 967 F HN 0.219 nan 8.300 nan 0.000 0.537 968 P HA 0.097 nan 4.420 nan 0.000 0.271 968 P C -1.001 176.318 177.300 0.031 0.000 1.218 968 P CA -0.289 62.734 63.100 -0.127 0.000 0.780 968 P CB 0.304 31.749 31.700 -0.424 0.000 0.901 969 E N 1.365 121.609 120.200 0.072 0.000 2.351 969 E HA 0.076 4.427 4.350 0.002 0.000 0.266 969 E C -0.258 176.438 176.600 0.159 0.000 1.031 969 E CA -0.151 56.319 56.400 0.116 0.000 0.911 969 E CB 0.011 29.790 29.700 0.132 0.000 0.986 969 E HN 0.335 nan 8.360 nan 0.000 0.446 970 L N 6.298 127.611 121.223 0.150 0.000 2.410 970 L HA 0.228 4.569 4.340 0.002 0.000 0.273 970 L C -1.886 175.123 176.870 0.232 0.000 1.144 970 L CA -1.924 53.029 54.840 0.189 0.000 0.863 970 L CB -0.350 41.761 42.059 0.086 0.000 1.140 970 L HN 0.290 nan 8.230 nan 0.000 0.463 971 P HA 0.030 nan 4.420 nan 0.000 0.271 971 P C -0.843 176.567 177.300 0.183 0.000 1.233 971 P CA -0.413 62.821 63.100 0.224 0.000 0.789 971 P CB 0.448 32.284 31.700 0.228 0.000 0.951 972 D N 0.365 120.834 120.400 0.116 0.000 2.308 972 D HA -0.031 4.610 4.640 0.002 0.000 0.251 972 D C 0.963 177.301 176.300 0.064 0.000 1.127 972 D CA -0.334 53.736 54.000 0.117 0.000 0.876 972 D CB 0.256 41.104 40.800 0.080 0.000 1.176 972 D HN 0.425 nan 8.370 nan 0.000 0.446 973 W N 4.509 125.765 121.300 -0.072 0.000 2.318 973 W HA -0.228 4.433 4.660 0.002 0.000 0.313 973 W C 0.589 177.041 176.519 -0.112 0.000 1.221 973 W CA 1.378 58.614 57.345 -0.182 0.000 1.266 973 W CB 0.154 29.553 29.460 -0.101 0.000 1.150 973 W HN 0.502 nan 8.180 nan 0.000 0.496 974 D N 0.204 120.565 120.400 -0.065 0.000 2.084 974 D HA -0.166 4.475 4.640 0.002 0.000 0.199 974 D C 2.053 178.233 176.300 -0.200 0.000 0.981 974 D CA 1.398 55.298 54.000 -0.168 0.000 0.841 974 D CB -0.487 40.324 40.800 0.018 0.000 0.997 974 D HN 0.224 nan 8.370 nan 0.000 0.454 975 K N 0.301 120.640 120.400 -0.102 0.000 2.097 975 K HA -0.109 4.212 4.320 0.002 0.000 0.206 975 K C 1.371 177.889 176.600 -0.136 0.000 1.049 975 K CA 1.045 57.276 56.287 -0.094 0.000 0.933 975 K CB 0.187 32.666 32.500 -0.035 0.000 0.717 975 K HN 0.150 nan 8.250 nan 0.000 0.442 976 D N -0.471 119.832 120.400 -0.161 0.000 2.597 976 D HA 0.112 4.753 4.640 0.002 0.000 0.261 976 D C 1.948 178.084 176.300 -0.272 0.000 1.023 976 D CA 0.571 54.471 54.000 -0.166 0.000 0.927 976 D CB 0.403 41.154 40.800 -0.081 0.000 1.168 976 D HN 0.082 nan 8.370 nan 0.000 0.491 977 I N 0.727 121.058 120.570 -0.398 0.000 2.729 977 I HA -0.032 4.139 4.170 0.002 0.000 0.256 977 I C 2.402 178.056 176.117 -0.771 0.000 1.115 977 I CA 0.157 61.135 61.300 -0.536 0.000 1.446 977 I CB -0.058 37.596 38.000 -0.576 0.000 1.176 977 I HN -0.171 nan 8.210 nan 0.000 0.446 978 K N 1.830 121.549 120.400 -1.136 0.000 2.071 978 K HA -0.221 4.101 4.320 0.002 0.000 0.217 978 K C -0.734 175.577 176.600 -0.482 0.000 1.054 978 K CA 2.364 58.074 56.287 -0.963 0.000 0.937 978 K CB -1.036 30.992 32.500 -0.787 0.000 0.719 978 K HN 0.152 nan 8.250 nan 0.000 0.454 979 P HA -0.126 nan 4.420 nan 0.000 0.224 979 P C 0.337 177.508 177.300 -0.214 0.000 1.142 979 P CA 1.201 64.156 63.100 -0.240 0.000 0.778 979 P CB 0.086 31.660 31.700 -0.211 0.000 0.764 980 L N -3.180 117.887 121.223 -0.260 0.000 2.840 980 L HA 0.267 4.608 4.340 0.002 0.000 0.249 980 L C 1.910 178.694 176.870 -0.142 0.000 1.119 980 L CA 0.185 54.906 54.840 -0.199 0.000 0.930 980 L CB -1.161 40.731 42.059 -0.277 0.000 1.295 980 L HN -0.208 nan 8.230 nan 0.000 0.534 981 N N 1.284 119.874 118.700 -0.185 0.000 2.182 981 N HA -0.259 4.483 4.740 0.002 0.000 0.192 981 N C 1.359 176.860 175.510 -0.015 0.000 1.007 981 N CA 1.838 54.841 53.050 -0.078 0.000 0.873 981 N CB -0.032 38.398 38.487 -0.096 0.000 0.998 981 N HN 0.306 nan 8.380 nan 0.000 0.436 982 D N 0.192 120.567 120.400 -0.040 0.000 2.092 982 D HA -0.159 4.482 4.640 0.002 0.000 0.193 982 D C 1.874 178.169 176.300 -0.009 0.000 0.994 982 D CA 1.236 55.225 54.000 -0.018 0.000 0.828 982 D CB -0.272 40.509 40.800 -0.032 0.000 0.963 982 D HN 0.557 nan 8.370 nan 0.000 0.450 983 Q N -0.481 119.311 119.800 -0.014 0.000 2.187 983 Q HA 0.052 4.393 4.340 0.002 0.000 0.199 983 Q C 1.926 177.930 176.000 0.006 0.000 0.957 983 Q CA 0.497 56.297 55.803 -0.005 0.000 0.857 983 Q CB 0.202 28.941 28.738 0.001 0.000 0.929 983 Q HN 0.211 nan 8.270 nan 0.000 0.453 984 L N 0.068 121.303 121.223 0.021 0.000 2.607 984 L HA 0.140 4.482 4.340 0.002 0.000 0.228 984 L C 0.713 177.616 176.870 0.056 0.000 1.123 984 L CA -0.053 54.814 54.840 0.046 0.000 0.890 984 L CB 0.254 42.368 42.059 0.091 0.000 1.103 984 L HN -0.027 nan 8.230 nan 0.000 0.468 985 R N 0.609 121.140 120.500 0.052 0.000 2.449 985 R HA 0.215 4.556 4.340 0.002 0.000 0.296 985 R C 1.122 177.449 176.300 0.046 0.000 1.047 985 R CA 0.759 56.903 56.100 0.072 0.000 1.018 985 R CB 0.344 30.689 30.300 0.075 0.000 0.962 985 R HN 0.275 nan 8.270 nan 0.000 0.428 986 G N 4.567 113.401 108.800 0.057 0.000 2.309 986 G HA2 -0.260 3.701 3.960 0.002 0.000 0.286 986 G HA3 -0.260 3.701 3.960 0.002 0.000 0.286 986 G C 0.568 175.474 174.900 0.010 0.000 1.002 986 G CA 0.466 45.587 45.100 0.035 0.000 0.786 986 G HN 0.526 nan 8.290 nan 0.000 0.511 987 M N -0.566 119.031 119.600 -0.006 0.000 2.505 987 M HA 0.374 4.856 4.480 0.002 0.000 0.230 987 M C 0.397 176.656 176.300 -0.068 0.000 1.153 987 M CA 0.218 55.500 55.300 -0.031 0.000 0.997 987 M CB 0.214 32.791 32.600 -0.038 0.000 1.606 987 M HN 0.063 nan 8.290 nan 0.000 0.481 988 V N 0.920 120.791 119.914 -0.070 0.000 2.817 988 V HA 0.245 4.367 4.120 0.002 0.000 0.303 988 V C -0.707 175.367 176.094 -0.034 0.000 1.151 988 V CA -1.304 60.925 62.300 -0.118 0.000 0.929 988 V CB 2.722 34.348 31.823 -0.328 0.000 1.030 988 V HN 0.244 nan 8.190 nan 0.000 0.427 989 N N 4.976 123.664 118.700 -0.020 0.000 2.399 989 N HA 0.208 4.949 4.740 0.002 0.000 0.259 989 N C 0.920 176.447 175.510 0.027 0.000 1.160 989 N CA 0.008 53.060 53.050 0.003 0.000 0.946 989 N CB 0.706 39.186 38.487 -0.012 0.000 1.156 989 N HN 0.686 nan 8.380 nan 0.000 0.489 990 L N 1.599 122.849 121.223 0.046 0.000 2.456 990 L HA -0.079 4.262 4.340 0.002 0.000 0.224 990 L C 1.007 177.910 176.870 0.054 0.000 1.148 990 L CA 0.870 55.753 54.840 0.071 0.000 0.825 990 L CB -0.214 41.888 42.059 0.072 0.000 0.937 990 L HN 0.548 nan 8.230 nan 0.000 0.450 991 D N -0.070 120.347 120.400 0.029 0.000 2.339 991 D HA -0.047 4.595 4.640 0.002 0.000 0.217 991 D C 1.210 177.508 176.300 -0.004 0.000 1.050 991 D CA 0.535 54.544 54.000 0.015 0.000 0.856 991 D CB 0.350 41.153 40.800 0.005 0.000 0.922 991 D HN 0.026 nan 8.370 nan 0.000 0.518 992 K N -0.056 120.345 120.400 0.002 0.000 2.706 992 K HA 0.222 4.544 4.320 0.002 0.000 0.203 992 K C -1.092 175.528 176.600 0.034 0.000 1.102 992 K CA -0.192 56.080 56.287 -0.024 0.000 1.058 992 K CB 2.178 34.643 32.500 -0.058 0.000 0.779 992 K HN -0.058 nan 8.250 nan 0.000 0.483 993 V N 1.933 121.902 119.914 0.093 0.000 2.417 993 V HA 0.277 4.398 4.120 0.002 0.000 0.291 993 V C -0.209 175.980 176.094 0.160 0.000 1.024 993 V CA -0.793 61.628 62.300 0.202 0.000 0.861 993 V CB 1.893 33.894 31.823 0.297 0.000 0.985 993 V HN -0.113 nan 8.190 nan 0.000 0.436 994 V N 6.212 126.252 119.914 0.210 0.000 2.427 994 V HA 0.559 4.680 4.120 0.002 0.000 0.286 994 V C -0.150 176.030 176.094 0.142 0.000 1.034 994 V CA -0.452 61.957 62.300 0.182 0.000 0.893 994 V CB 1.769 33.776 31.823 0.306 0.000 0.982 994 V HN 0.554 nan 8.190 nan 0.000 0.452 995 V N 5.033 125.004 119.914 0.094 0.000 2.709 995 V HA 0.408 4.529 4.120 0.002 0.000 0.308 995 V C -0.433 175.704 176.094 0.072 0.000 1.062 995 V CA -0.599 61.732 62.300 0.051 0.000 0.901 995 V CB 2.698 34.533 31.823 0.020 0.000 1.003 995 V HN 0.636 nan 8.190 nan 0.000 0.425 996 V N 4.080 124.039 119.914 0.075 0.000 2.389 996 V HA 0.232 4.353 4.120 0.002 0.000 0.264 996 V C 1.114 177.316 176.094 0.180 0.000 1.049 996 V CA 0.504 62.867 62.300 0.105 0.000 0.932 996 V CB 0.781 32.660 31.823 0.093 0.000 1.011 996 V HN 1.037 nan 8.190 nan 0.000 0.475 997 T N 3.134 117.790 114.554 0.170 0.000 2.990 997 T HA 0.315 4.667 4.350 0.002 0.000 0.250 997 T C 0.713 175.559 174.700 0.244 0.000 1.041 997 T CA 0.688 62.925 62.100 0.228 0.000 1.010 997 T CB 0.049 69.000 68.868 0.138 0.000 1.003 997 T HN 0.803 nan 8.240 nan 0.000 0.499 998 G N 0.905 109.768 108.800 0.105 0.000 2.481 998 G HA2 0.675 4.637 3.960 0.002 0.000 0.315 998 G HA3 0.675 4.637 3.960 0.002 0.000 0.315 998 G C -1.984 172.832 174.900 -0.139 0.000 1.231 998 G CA -0.466 44.648 45.100 0.023 0.000 0.968 998 G HN 0.326 nan 8.290 nan 0.000 0.482 999 L N 0.470 121.579 121.223 -0.190 0.000 2.513 999 L HA 0.757 5.099 4.340 0.002 0.000 0.261 999 L C -0.689 176.132 176.870 -0.082 0.000 0.945 999 L CA -0.575 54.123 54.840 -0.236 0.000 0.848 999 L CB 1.897 43.617 42.059 -0.564 0.000 1.334 999 L HN 1.026 nan 8.230 nan 0.000 0.407 1000 A N 3.706 126.516 122.820 -0.018 0.000 2.567 1000 A HA 0.726 5.047 4.320 0.002 0.000 0.291 1000 A C -1.796 175.823 177.584 0.058 0.000 1.048 1000 A CA -0.487 51.571 52.037 0.034 0.000 0.661 1000 A CB 2.013 21.067 19.000 0.090 0.000 1.288 1000 A HN 0.740 nan 8.150 nan 0.000 0.424 1001 E N -0.412 119.813 120.200 0.041 0.000 2.416 1001 E HA 0.699 5.050 4.350 0.002 0.000 0.280 1001 E C -1.842 174.739 176.600 -0.031 0.000 1.055 1001 E CA -0.847 55.578 56.400 0.042 0.000 0.825 1001 E CB 1.366 31.008 29.700 -0.097 0.000 1.312 1001 E HN 0.486 nan 8.360 nan 0.000 0.452 1002 I N 0.690 121.234 120.570 -0.044 0.000 2.478 1002 I HA 0.708 4.879 4.170 0.002 0.000 0.287 1002 I C 0.049 176.018 176.117 -0.247 0.000 1.042 1002 I CA 0.039 61.193 61.300 -0.245 0.000 1.067 1002 I CB 1.993 39.719 38.000 -0.458 0.000 1.233 1002 I HN 0.791 nan 8.210 nan 0.000 0.431 1003 G N 4.929 113.503 108.800 -0.377 0.000 2.749 1003 G HA2 0.510 4.471 3.960 0.002 0.000 0.300 1003 G HA3 0.510 4.471 3.960 0.002 0.000 0.300 1003 G C -2.694 172.026 174.900 -0.300 0.000 1.352 1003 G CA -0.896 43.990 45.100 -0.358 0.000 0.789 1003 G HN 0.248 nan 8.290 nan 0.000 0.509 1004 P HA 0.006 nan 4.420 nan 0.000 0.225 1004 P C 0.417 177.400 177.300 -0.528 0.000 1.148 1004 P CA 1.091 63.995 63.100 -0.327 0.000 0.779 1004 P CB 0.155 31.682 31.700 -0.289 0.000 0.780 1005 W N -0.977 120.238 121.300 -0.142 0.000 3.008 1005 W HA 0.428 5.089 4.660 0.002 0.000 0.355 1005 W C 1.030 177.544 176.519 -0.009 0.000 1.095 1005 W CA 0.550 57.868 57.345 -0.045 0.000 1.738 1005 W CB 0.778 30.184 29.460 -0.090 0.000 1.091 1005 W HN -0.020 nan 8.180 nan 0.000 0.574 1006 G N 1.279 110.115 108.800 0.060 0.000 2.428 1006 G HA2 -0.238 3.723 3.960 0.002 0.000 0.202 1006 G HA3 -0.238 3.723 3.960 0.002 0.000 0.202 1006 G C -0.404 174.495 174.900 -0.000 0.000 1.247 1006 G CA -0.608 44.531 45.100 0.065 0.000 1.020 1006 G HN 0.148 nan 8.290 nan 0.000 0.529 1007 N N 0.498 119.256 118.700 0.096 0.000 2.317 1007 N HA 0.574 5.315 4.740 0.002 0.000 0.245 1007 N C 1.662 177.189 175.510 0.027 0.000 1.294 1007 N CA 0.931 54.023 53.050 0.071 0.000 0.924 1007 N CB 0.350 38.948 38.487 0.185 0.000 1.186 1007 N HN 1.648 nan 8.380 nan 0.000 0.495 1008 A N -0.086 122.733 122.820 -0.002 0.000 1.978 1008 A HA -0.215 4.106 4.320 0.002 0.000 0.220 1008 A C 2.107 179.715 177.584 0.040 0.000 1.170 1008 A CA 1.281 53.302 52.037 -0.026 0.000 0.636 1008 A CB -0.628 18.337 19.000 -0.057 0.000 0.810 1008 A HN 0.703 nan 8.150 nan 0.000 0.448 1009 R N -0.617 119.915 120.500 0.055 0.000 2.064 1009 R HA -0.104 4.237 4.340 0.002 0.000 0.228 1009 R C 2.548 178.936 176.300 0.147 0.000 1.144 1009 R CA 2.020 58.167 56.100 0.077 0.000 0.932 1009 R CB -1.208 29.107 30.300 0.024 0.000 0.833 1009 R HN 0.711 nan 8.270 nan 0.000 0.429 1010 T N -0.237 114.427 114.554 0.183 0.000 2.803 1010 T HA -0.147 4.205 4.350 0.002 0.000 0.269 1010 T C 2.013 176.867 174.700 0.256 0.000 1.052 1010 T CA 0.900 63.197 62.100 0.327 0.000 1.136 1010 T CB -0.185 68.900 68.868 0.360 0.000 0.864 1010 T HN 0.077 nan 8.240 nan 0.000 0.467 1011 R N -0.096 120.491 120.500 0.146 0.000 2.075 1011 R HA -0.062 4.279 4.340 0.002 0.000 0.232 1011 R C 2.234 178.503 176.300 -0.052 0.000 1.126 1011 R CA 1.404 57.521 56.100 0.028 0.000 0.963 1011 R CB -0.817 29.456 30.300 -0.045 0.000 0.858 1011 R HN 0.767 nan 8.270 nan 0.000 0.435 1012 W N 1.959 123.169 121.300 -0.151 0.000 2.378 1012 W HA -0.174 4.487 4.660 0.002 0.000 0.313 1012 W C 1.453 177.827 176.519 -0.242 0.000 1.197 1012 W CA 1.236 58.477 57.345 -0.173 0.000 1.304 1012 W CB -0.177 29.201 29.460 -0.136 0.000 1.148 1012 W HN 0.158 nan 8.180 nan 0.000 0.494 1013 E N 0.386 120.395 120.200 -0.318 0.000 2.108 1013 E HA -0.353 3.998 4.350 0.002 0.000 0.203 1013 E C 1.978 178.198 176.600 -0.634 0.000 1.022 1013 E CA 2.332 58.400 56.400 -0.553 0.000 0.823 1013 E CB -0.614 28.927 29.700 -0.265 0.000 0.744 1013 E HN 0.242 nan 8.360 nan 0.000 0.456 1014 M N 0.898 120.104 119.600 -0.657 0.000 2.132 1014 M HA -0.155 4.326 4.480 0.002 0.000 0.263 1014 M C 2.023 177.947 176.300 -0.626 0.000 1.065 1014 M CA 1.650 56.460 55.300 -0.816 0.000 1.122 1014 M CB -0.064 31.831 32.600 -1.174 0.000 1.365 1014 M HN 0.006 nan 8.290 nan 0.000 0.411 1015 E N -0.908 118.952 120.200 -0.566 0.000 2.204 1015 E HA -0.143 4.208 4.350 0.002 0.000 0.194 1015 E C 1.512 177.847 176.600 -0.442 0.000 0.989 1015 E CA 1.222 57.364 56.400 -0.429 0.000 0.824 1015 E CB 0.027 29.539 29.700 -0.313 0.000 0.756 1015 E HN 0.581 nan 8.360 nan 0.000 0.477 1016 A N -0.292 122.110 122.820 -0.695 0.000 1.944 1016 A HA 0.038 4.359 4.320 0.002 0.000 0.209 1016 A C 1.548 179.044 177.584 -0.146 0.000 1.328 1016 A CA 0.333 52.001 52.037 -0.615 0.000 0.693 1016 A CB -0.407 17.856 19.000 -1.229 0.000 0.994 1016 A HN 0.288 nan 8.150 nan 0.000 0.485 1017 Y N -0.679 119.337 120.300 -0.474 0.000 2.397 1017 Y HA 0.323 4.875 4.550 0.002 0.000 0.292 1017 Y C 2.094 177.822 175.900 -0.287 0.000 1.115 1017 Y CA 0.140 58.051 58.100 -0.316 0.000 1.208 1017 Y CB -0.529 37.777 38.460 -0.257 0.000 1.046 1017 Y HN 0.521 nan 8.280 nan 0.000 0.552 1018 G N 0.309 108.991 108.800 -0.197 0.000 2.175 1018 G HA2 -0.227 3.734 3.960 0.002 0.000 0.244 1018 G HA3 -0.227 3.734 3.960 0.002 0.000 0.244 1018 G C 0.210 174.945 174.900 -0.274 0.000 0.982 1018 G CA 0.346 45.300 45.100 -0.243 0.000 0.641 1018 G HN 0.480 nan 8.290 nan 0.000 0.527 1019 K N -1.114 119.108 120.400 -0.297 0.000 2.615 1019 K HA 0.674 4.996 4.320 0.002 0.000 0.291 1019 K C -1.162 175.239 176.600 -0.332 0.000 1.017 1019 K CA -1.270 54.840 56.287 -0.295 0.000 0.882 1019 K CB 0.748 33.195 32.500 -0.088 0.000 1.522 1019 K HN 0.048 nan 8.250 nan 0.000 0.412 1020 F N 1.613 121.557 119.950 -0.009 0.000 2.371 1020 F HA 0.252 4.780 4.527 0.002 0.000 0.329 1020 F C 1.196 177.010 175.800 0.025 0.000 1.107 1020 F CA -0.089 57.911 58.000 0.001 0.000 1.137 1020 F CB 1.751 40.779 39.000 0.047 0.000 1.214 1020 F HN 0.681 nan 8.300 nan 0.000 0.536 1021 S N 2.860 118.698 115.700 0.229 0.000 2.669 1021 S HA 0.192 4.663 4.470 0.002 0.000 0.270 1021 S C 0.981 175.684 174.600 0.171 0.000 1.225 1021 S CA -0.906 57.394 58.200 0.166 0.000 0.991 1021 S CB 1.003 64.278 63.200 0.124 0.000 0.987 1021 S HN 0.706 nan 8.310 nan 0.000 0.552 1022 L N 0.614 121.920 121.223 0.138 0.000 2.043 1022 L HA -0.120 4.221 4.340 0.002 0.000 0.212 1022 L C 2.287 179.230 176.870 0.123 0.000 1.075 1022 L CA 2.174 57.090 54.840 0.127 0.000 0.752 1022 L CB -1.604 40.529 42.059 0.123 0.000 0.891 1022 L HN 0.807 nan 8.230 nan 0.000 0.432 1023 E N -0.386 119.891 120.200 0.128 0.000 2.077 1023 E HA -0.138 4.213 4.350 0.002 0.000 0.193 1023 E C 2.073 178.734 176.600 0.102 0.000 0.989 1023 E CA 1.235 57.709 56.400 0.124 0.000 0.800 1023 E CB -0.704 29.066 29.700 0.117 0.000 0.746 1023 E HN 0.570 nan 8.360 nan 0.000 0.452 1024 G N 0.165 109.040 108.800 0.125 0.000 2.480 1024 G HA2 -0.321 3.641 3.960 0.002 0.000 0.216 1024 G HA3 -0.321 3.641 3.960 0.002 0.000 0.216 1024 G C 1.823 176.676 174.900 -0.078 0.000 1.200 1024 G CA 1.124 46.301 45.100 0.129 0.000 0.782 1024 G HN 0.370 nan 8.290 nan 0.000 0.554 1025 C N -0.199 119.075 119.300 -0.043 0.000 2.398 1025 C HA -0.065 4.396 4.460 0.002 0.000 0.276 1025 C C 3.113 178.037 174.990 -0.110 0.000 1.222 1025 C CA 0.888 59.835 59.018 -0.118 0.000 1.746 1025 C CB -1.055 26.701 27.740 0.028 0.000 2.039 1025 C HN 0.288 nan 8.230 nan 0.000 0.470 1026 V N 0.618 120.505 119.914 -0.045 0.000 2.332 1026 V HA -0.244 3.877 4.120 0.002 0.000 0.248 1026 V C 2.437 178.471 176.094 -0.100 0.000 1.055 1026 V CA 2.028 64.267 62.300 -0.101 0.000 1.038 1026 V CB -0.697 31.142 31.823 0.025 0.000 0.651 1026 V HN 0.614 nan 8.190 nan 0.000 0.450 1027 E N -0.691 119.498 120.200 -0.018 0.000 2.031 1027 E HA -0.224 4.127 4.350 0.002 0.000 0.193 1027 E C 2.355 178.998 176.600 0.073 0.000 0.994 1027 E CA 1.469 57.896 56.400 0.045 0.000 0.800 1027 E CB -0.215 29.535 29.700 0.083 0.000 0.752 1027 E HN 0.395 nan 8.360 nan 0.000 0.447 1028 M N 0.458 120.016 119.600 -0.070 0.000 2.073 1028 M HA -0.178 4.304 4.480 0.002 0.000 0.258 1028 M C 2.547 178.783 176.300 -0.107 0.000 1.070 1028 M CA 1.502 56.740 55.300 -0.104 0.000 1.103 1028 M CB -1.337 31.062 32.600 -0.334 0.000 1.321 1028 M HN 0.099 nan 8.290 nan 0.000 0.405 1029 A N -1.040 121.662 122.820 -0.196 0.000 1.986 1029 A HA -0.241 4.081 4.320 0.002 0.000 0.220 1029 A C 2.056 179.431 177.584 -0.348 0.000 1.171 1029 A CA 1.827 53.656 52.037 -0.348 0.000 0.640 1029 A CB -1.278 17.444 19.000 -0.463 0.000 0.811 1029 A HN 0.737 nan 8.150 nan 0.000 0.451 1030 W N 1.008 122.046 121.300 -0.435 0.000 2.408 1030 W HA -0.194 4.467 4.660 0.002 0.000 0.311 1030 W C 2.366 178.698 176.519 -0.312 0.000 1.190 1030 W CA 2.112 59.208 57.345 -0.416 0.000 1.321 1030 W CB -0.258 28.990 29.460 -0.353 0.000 1.143 1030 W HN 0.428 nan 8.180 nan 0.000 0.501 1031 M N -0.661 118.920 119.600 -0.032 0.000 2.319 1031 M HA -0.030 4.451 4.480 0.002 0.000 0.265 1031 M C 1.789 177.920 176.300 -0.282 0.000 1.068 1031 M CA 1.719 56.844 55.300 -0.291 0.000 1.118 1031 M CB -0.750 32.049 32.600 0.330 0.000 1.395 1031 M HN 0.037 nan 8.290 nan 0.000 0.435 1032 M N 0.886 120.380 119.600 -0.176 0.000 2.562 1032 M HA 0.150 4.631 4.480 0.002 0.000 0.257 1032 M C 0.923 177.056 176.300 -0.279 0.000 1.099 1032 M CA 1.062 56.275 55.300 -0.145 0.000 1.099 1032 M CB 0.034 32.582 32.600 -0.087 0.000 1.427 1032 M HN 0.764 nan 8.290 nan 0.000 0.489 1033 G N 0.682 109.232 108.800 -0.416 0.000 2.149 1033 G HA2 -0.231 3.730 3.960 0.002 0.000 0.235 1033 G HA3 -0.231 3.730 3.960 0.002 0.000 0.235 1033 G C 0.436 175.088 174.900 -0.413 0.000 1.018 1033 G CA -0.077 44.759 45.100 -0.440 0.000 0.728 1033 G HN 0.474 nan 8.290 nan 0.000 0.508 1034 L N -0.496 120.426 121.223 -0.501 0.000 2.416 1034 L HA 0.429 4.770 4.340 0.002 0.000 0.216 1034 L C 1.534 178.049 176.870 -0.592 0.000 1.098 1034 L CA 0.837 55.306 54.840 -0.619 0.000 0.840 1034 L CB -0.137 41.352 42.059 -0.949 0.000 0.981 1034 L HN 0.606 nan 8.230 nan 0.000 0.462 1035 I N -1.542 118.711 120.570 -0.528 0.000 2.802 1035 I HA 0.539 4.710 4.170 0.002 0.000 0.298 1035 I C -1.240 174.746 176.117 -0.219 0.000 1.176 1035 I CA -0.797 60.282 61.300 -0.368 0.000 1.025 1035 I CB 2.398 40.073 38.000 -0.542 0.000 1.243 1035 I HN -0.045 nan 8.210 nan 0.000 0.424 1036 K N 2.797 123.234 120.400 0.062 0.000 2.508 1036 K HA 0.412 4.733 4.320 0.002 0.000 0.260 1036 K C -1.439 175.459 176.600 0.497 0.000 0.949 1036 K CA -0.830 55.603 56.287 0.243 0.000 0.834 1036 K CB 1.962 34.497 32.500 0.059 0.000 1.365 1036 K HN 0.688 nan 8.250 nan 0.000 0.437 1037 N N 1.627 120.629 118.700 0.504 0.000 2.479 1037 N HA -0.015 4.726 4.740 0.002 0.000 0.257 1037 N C -1.139 174.505 175.510 0.224 0.000 1.232 1037 N CA 0.236 53.441 53.050 0.258 0.000 0.920 1037 N CB 0.546 39.045 38.487 0.020 0.000 1.105 1037 N HN 0.650 nan 8.380 nan 0.000 0.444 1038 H N 2.412 121.526 119.070 0.073 0.000 2.806 1038 H HA 0.227 4.784 4.556 0.002 0.000 0.367 1038 H C -1.308 174.016 175.328 -0.007 0.000 1.136 1038 H CA -0.493 55.603 56.048 0.079 0.000 1.178 1038 H CB 1.151 31.030 29.762 0.196 0.000 1.718 1038 H HN 0.739 nan 8.280 nan 0.000 0.540 1039 N N 3.295 121.681 118.700 -0.523 0.000 2.697 1039 N HA 0.305 5.046 4.740 0.002 0.000 0.253 1039 N C -1.091 174.201 175.510 -0.364 0.000 1.604 1039 N CA -0.191 52.661 53.050 -0.330 0.000 0.772 1039 N CB 0.662 39.019 38.487 -0.215 0.000 1.267 1039 N HN 0.776 nan 8.380 nan 0.000 0.510 1040 G N 0.909 109.482 108.800 -0.378 0.000 2.634 1040 G HA2 0.396 4.358 3.960 0.002 0.000 0.309 1040 G HA3 0.396 4.358 3.960 0.002 0.000 0.309 1040 G C -3.265 171.763 174.900 0.214 0.000 1.299 1040 G CA -0.683 44.354 45.100 -0.106 0.000 0.798 1040 G HN -0.021 nan 8.290 nan 0.000 0.490 1041 P HA 0.360 nan 4.420 nan 0.000 0.271 1041 P C -0.529 176.908 177.300 0.229 0.000 1.226 1041 P CA -0.062 63.148 63.100 0.183 0.000 0.765 1041 P CB 0.801 32.562 31.700 0.101 0.000 0.835 1042 L N 5.252 126.569 121.223 0.157 0.000 2.295 1042 L HA 0.261 4.603 4.340 0.002 0.000 0.281 1042 L C 0.291 177.151 176.870 -0.016 0.000 1.018 1042 L CA -0.637 54.206 54.840 0.004 0.000 0.841 1042 L CB 0.640 42.627 42.059 -0.121 0.000 1.218 1042 L HN 0.478 nan 8.230 nan 0.000 0.424 1043 K N 3.181 123.572 120.400 -0.015 0.000 3.239 1043 K HA -0.223 4.098 4.320 0.002 0.000 0.270 1043 K C 0.910 177.513 176.600 0.005 0.000 1.049 1043 K CA 0.743 57.022 56.287 -0.014 0.000 0.769 1043 K CB -1.413 31.066 32.500 -0.035 0.000 1.305 1043 K HN 1.144 nan 8.250 nan 0.000 0.469 1044 G N -0.233 108.580 108.800 0.021 0.000 3.444 1044 G HA2 -0.403 3.559 3.960 0.002 0.000 0.222 1044 G HA3 -0.403 3.559 3.960 0.002 0.000 0.222 1044 G C 0.058 174.981 174.900 0.038 0.000 1.358 1044 G CA 0.679 45.795 45.100 0.026 0.000 0.880 1044 G HN 0.384 nan 8.290 nan 0.000 0.555 1045 K N 2.448 122.871 120.400 0.038 0.000 2.326 1045 K HA 0.468 4.790 4.320 0.002 0.000 0.275 1045 K C -2.396 174.259 176.600 0.091 0.000 1.018 1045 K CA -1.346 54.973 56.287 0.053 0.000 0.962 1045 K CB 0.898 33.424 32.500 0.044 0.000 0.953 1045 K HN 0.225 nan 8.250 nan 0.000 0.475 1046 P HA 0.097 nan 4.420 nan 0.000 0.274 1046 P C -1.444 175.992 177.300 0.227 0.000 1.256 1046 P CA -0.225 62.954 63.100 0.132 0.000 0.795 1046 P CB 0.334 32.079 31.700 0.075 0.000 1.038 1047 Y N -0.680 119.668 120.300 0.081 0.000 2.573 1047 Y HA 0.449 5.001 4.550 0.002 0.000 0.328 1047 Y C -1.680 174.283 175.900 0.104 0.000 1.170 1047 Y CA -0.435 57.720 58.100 0.091 0.000 1.078 1047 Y CB 1.225 39.751 38.460 0.110 0.000 1.341 1047 Y HN 0.513 nan 8.280 nan 0.000 0.459 1048 S N 3.573 118.751 115.700 -0.871 0.000 2.548 1048 S HA 0.976 5.447 4.470 0.002 0.000 0.276 1048 S C -0.418 173.623 174.600 -0.931 0.000 1.129 1048 S CA 0.114 57.919 58.200 -0.658 0.000 0.931 1048 S CB 1.652 64.644 63.200 -0.346 0.000 1.068 1048 S HN 2.172 nan 8.310 nan 0.000 0.480 1049 G N 1.769 110.256 108.800 -0.522 0.000 2.280 1049 G HA2 0.025 3.986 3.960 0.002 0.000 0.277 1049 G HA3 0.025 3.986 3.960 0.002 0.000 0.277 1049 G C -1.440 173.450 174.900 -0.018 0.000 1.288 1049 G CA -0.800 44.057 45.100 -0.404 0.000 1.075 1049 G HN 0.841 nan 8.290 nan 0.000 0.480 1050 W N -0.091 121.313 121.300 0.173 0.000 2.216 1050 W HA 0.508 5.169 4.660 0.002 0.000 0.326 1050 W C 0.310 176.979 176.519 0.250 0.000 1.319 1050 W CA -0.619 56.842 57.345 0.192 0.000 1.213 1050 W CB 1.252 30.805 29.460 0.155 0.000 1.171 1050 W HN 0.303 nan 8.180 nan 0.000 0.557 1051 V N 3.317 123.524 119.914 0.489 0.000 2.760 1051 V HA 0.027 4.148 4.120 0.002 0.000 0.309 1051 V C -0.376 175.806 176.094 0.146 0.000 1.077 1051 V CA -0.909 61.543 62.300 0.253 0.000 0.910 1051 V CB 1.908 33.844 31.823 0.188 0.000 1.008 1051 V HN 0.377 nan 8.190 nan 0.000 0.424 1052 D N 3.235 123.695 120.400 0.100 0.000 2.472 1052 D HA 0.186 4.827 4.640 0.002 0.000 0.248 1052 D C 1.066 177.361 176.300 -0.008 0.000 1.174 1052 D CA 0.814 54.856 54.000 0.071 0.000 0.883 1052 D CB 1.814 42.676 40.800 0.103 0.000 1.149 1052 D HN 0.667 nan 8.370 nan 0.000 0.488 1053 A N 4.998 127.771 122.820 -0.079 0.000 1.933 1053 A HA -0.188 4.133 4.320 0.002 0.000 0.218 1053 A C 2.019 179.557 177.584 -0.077 0.000 1.175 1053 A CA 1.407 53.385 52.037 -0.098 0.000 0.628 1053 A CB -0.234 18.659 19.000 -0.178 0.000 0.814 1053 A HN 0.660 nan 8.150 nan 0.000 0.444 1054 K N -1.087 119.271 120.400 -0.070 0.000 1.973 1054 K HA -0.042 4.280 4.320 0.002 0.000 0.210 1054 K C 0.987 177.565 176.600 -0.037 0.000 1.045 1054 K CA 1.330 57.585 56.287 -0.053 0.000 0.937 1054 K CB -0.342 32.132 32.500 -0.044 0.000 0.721 1054 K HN 0.369 nan 8.250 nan 0.000 0.438 1055 T N -0.780 113.760 114.554 -0.024 0.000 2.845 1055 T HA 0.223 4.574 4.350 0.002 0.000 0.288 1055 T C 1.117 175.793 174.700 -0.040 0.000 0.980 1055 T CA -0.436 61.646 62.100 -0.030 0.000 1.071 1055 T CB 1.461 70.314 68.868 -0.025 0.000 0.941 1055 T HN 0.369 nan 8.240 nan 0.000 0.487 1056 G N 3.502 112.269 108.800 -0.056 0.000 2.564 1056 G HA2 -0.078 3.883 3.960 0.002 0.000 0.217 1056 G HA3 -0.078 3.883 3.960 0.002 0.000 0.217 1056 G C 0.580 175.409 174.900 -0.119 0.000 1.120 1056 G CA 0.263 45.310 45.100 -0.088 0.000 0.752 1056 G HN 0.718 nan 8.290 nan 0.000 0.558 1057 E N 0.935 121.081 120.200 -0.090 0.000 2.436 1057 E HA 0.105 4.457 4.350 0.002 0.000 0.262 1057 E C -2.231 174.304 176.600 -0.108 0.000 1.063 1057 E CA -1.471 54.864 56.400 -0.108 0.000 0.944 1057 E CB 0.283 29.942 29.700 -0.068 0.000 0.950 1057 E HN 0.138 nan 8.360 nan 0.000 0.444 1058 P HA 0.214 nan 4.420 nan 0.000 0.281 1058 P C -0.737 176.573 177.300 0.017 0.000 1.249 1058 P CA -0.427 62.572 63.100 -0.168 0.000 0.810 1058 P CB 0.871 32.216 31.700 -0.591 0.000 1.008 1059 V N 2.082 122.102 119.914 0.177 0.000 2.709 1059 V HA 0.307 4.428 4.120 0.002 0.000 0.308 1059 V C -0.423 175.836 176.094 0.274 0.000 1.062 1059 V CA -0.577 61.844 62.300 0.202 0.000 0.901 1059 V CB 2.129 34.100 31.823 0.246 0.000 1.003 1059 V HN 0.462 nan 8.190 nan 0.000 0.425 1060 D N 2.491 123.010 120.400 0.197 0.000 2.210 1060 D HA 0.246 4.887 4.640 0.002 0.000 0.249 1060 D C 0.446 176.875 176.300 0.215 0.000 1.062 1060 D CA -0.253 53.870 54.000 0.205 0.000 0.891 1060 D CB 2.076 42.957 40.800 0.135 0.000 1.186 1060 D HN 0.571 nan 8.370 nan 0.000 0.432 1061 D N 1.020 121.573 120.400 0.255 0.000 2.149 1061 D HA -0.236 4.405 4.640 0.002 0.000 0.194 1061 D C 1.925 178.322 176.300 0.162 0.000 1.001 1061 D CA 1.624 55.773 54.000 0.247 0.000 0.849 1061 D CB 0.063 41.009 40.800 0.244 0.000 0.939 1061 D HN 0.536 nan 8.370 nan 0.000 0.449 1062 K N 0.282 120.759 120.400 0.129 0.000 2.209 1062 K HA -0.129 4.192 4.320 0.002 0.000 0.204 1062 K C 0.946 177.591 176.600 0.074 0.000 1.048 1062 K CA 1.417 57.761 56.287 0.094 0.000 0.940 1062 K CB 0.036 32.583 32.500 0.077 0.000 0.729 1062 K HN 0.076 nan 8.250 nan 0.000 0.451 1063 D N 1.190 121.633 120.400 0.071 0.000 2.213 1063 D HA -0.045 4.596 4.640 0.002 0.000 0.205 1063 D C 2.119 178.422 176.300 0.005 0.000 0.961 1063 D CA 0.558 54.573 54.000 0.025 0.000 0.853 1063 D CB -0.158 40.648 40.800 0.009 0.000 0.967 1063 D HN 0.013 nan 8.370 nan 0.000 0.496 1064 V N 1.651 121.612 119.914 0.078 0.000 2.242 1064 V HA -0.375 3.746 4.120 0.002 0.000 0.257 1064 V C 2.540 178.695 176.094 0.102 0.000 1.073 1064 V CA 2.217 64.608 62.300 0.151 0.000 1.058 1064 V CB -0.455 31.461 31.823 0.155 0.000 0.664 1064 V HN 0.164 nan 8.190 nan 0.000 0.451 1065 K N -0.717 119.736 120.400 0.088 0.000 2.074 1065 K HA -0.225 4.096 4.320 0.002 0.000 0.209 1065 K C 2.114 178.743 176.600 0.048 0.000 1.048 1065 K CA 1.784 58.124 56.287 0.087 0.000 0.926 1065 K CB -0.388 32.165 32.500 0.089 0.000 0.713 1065 K HN 0.531 nan 8.250 nan 0.000 0.444 1066 A N 0.739 123.558 122.820 -0.001 0.000 1.872 1066 A HA -0.114 4.207 4.320 0.002 0.000 0.214 1066 A C 1.934 179.458 177.584 -0.100 0.000 1.187 1066 A CA 1.311 53.331 52.037 -0.029 0.000 0.614 1066 A CB -0.313 18.668 19.000 -0.031 0.000 0.826 1066 A HN 0.187 nan 8.150 nan 0.000 0.442 1067 K N -1.791 118.457 120.400 -0.253 0.000 2.057 1067 K HA -0.147 4.174 4.320 0.002 0.000 0.207 1067 K C 1.338 177.649 176.600 -0.482 0.000 1.049 1067 K CA 1.832 57.800 56.287 -0.533 0.000 0.931 1067 K CB -0.185 31.675 32.500 -1.066 0.000 0.714 1067 K HN 0.675 nan 8.250 nan 0.000 0.440 1068 Y N -0.661 119.648 120.300 0.014 0.000 2.467 1068 Y HA 0.142 4.693 4.550 0.002 0.000 0.259 1068 Y C 1.909 177.864 175.900 0.091 0.000 1.084 1068 Y CA -0.349 57.761 58.100 0.016 0.000 1.275 1068 Y CB -0.012 38.408 38.460 -0.066 0.000 1.208 1068 Y HN 0.057 nan 8.280 nan 0.000 0.511 1069 E N 1.614 121.935 120.200 0.202 0.000 2.058 1069 E HA -0.307 4.044 4.350 0.002 0.000 0.194 1069 E C 2.101 178.833 176.600 0.219 0.000 0.997 1069 E CA 1.830 58.351 56.400 0.202 0.000 0.801 1069 E CB 0.061 29.863 29.700 0.169 0.000 0.746 1069 E HN 0.396 nan 8.360 nan 0.000 0.450 1070 K N -0.299 120.208 120.400 0.180 0.000 2.044 1070 K HA -0.264 4.057 4.320 0.002 0.000 0.210 1070 K C 2.156 178.870 176.600 0.190 0.000 1.049 1070 K CA 1.845 58.225 56.287 0.156 0.000 0.927 1070 K CB -0.512 32.057 32.500 0.116 0.000 0.713 1070 K HN 0.247 nan 8.250 nan 0.000 0.443 1071 Y N 1.331 121.708 120.300 0.128 0.000 2.089 1071 Y HA -0.237 4.314 4.550 0.002 0.000 0.282 1071 Y C 1.938 177.943 175.900 0.175 0.000 1.139 1071 Y CA 2.153 60.360 58.100 0.178 0.000 1.123 1071 Y CB -0.142 38.449 38.460 0.218 0.000 0.980 1071 Y HN 0.029 nan 8.280 nan 0.000 0.493 1072 I N 0.359 121.242 120.570 0.523 0.000 2.143 1072 I HA -0.412 3.759 4.170 0.002 0.000 0.245 1072 I C 2.303 178.576 176.117 0.261 0.000 1.068 1072 I CA 1.836 63.356 61.300 0.367 0.000 1.326 1072 I CB -0.789 37.328 38.000 0.195 0.000 1.028 1072 I HN 0.380 nan 8.210 nan 0.000 0.412 1073 L N 0.029 121.410 121.223 0.263 0.000 2.093 1073 L HA -0.178 4.163 4.340 0.002 0.000 0.208 1073 L C 2.591 179.510 176.870 0.082 0.000 1.085 1073 L CA 1.297 56.300 54.840 0.273 0.000 0.755 1073 L CB -0.648 41.580 42.059 0.280 0.000 0.904 1073 L HN 0.332 nan 8.230 nan 0.000 0.435 1074 E N -0.432 119.741 120.200 -0.046 0.000 2.152 1074 E HA -0.168 4.183 4.350 0.002 0.000 0.192 1074 E C 1.188 177.513 176.600 -0.458 0.000 0.983 1074 E CA 0.728 56.967 56.400 -0.269 0.000 0.818 1074 E CB 0.255 29.717 29.700 -0.398 0.000 0.758 1074 E HN 0.554 nan 8.360 nan 0.000 0.467 1075 H N -0.235 118.715 119.070 -0.200 0.000 2.487 1075 H HA 0.222 4.779 4.556 0.002 0.000 0.290 1075 H C -0.193 175.055 175.328 -0.135 0.000 1.081 1075 H CA 0.224 56.151 56.048 -0.202 0.000 1.116 1075 H CB 0.452 30.021 29.762 -0.322 0.000 1.560 1075 H HN 0.035 nan 8.280 nan 0.000 0.548 1076 S N -1.336 114.283 115.700 -0.134 0.000 2.661 1076 S HA 0.741 5.212 4.470 0.002 0.000 0.285 1076 S C 0.494 174.630 174.600 -0.775 0.000 1.138 1076 S CA -0.343 57.626 58.200 -0.384 0.000 0.855 1076 S CB 3.253 66.239 63.200 -0.356 0.000 1.136 1076 S HN 0.484 nan 8.310 nan 0.000 0.484 1077 G N 0.371 108.478 108.800 -1.156 0.000 2.587 1077 G HA2 -0.090 3.871 3.960 0.002 0.000 0.212 1077 G HA3 -0.090 3.871 3.960 0.002 0.000 0.212 1077 G C -0.784 173.858 174.900 -0.431 0.000 1.327 1077 G CA -0.512 43.852 45.100 -1.228 0.000 0.898 1077 G HN 1.069 nan 8.290 nan 0.000 0.551 1078 I N 2.540 123.019 120.570 -0.153 0.000 2.505 1078 I HA 0.377 4.548 4.170 0.002 0.000 0.287 1078 I C 1.187 177.264 176.117 -0.066 0.000 1.104 1078 I CA 0.301 61.562 61.300 -0.066 0.000 1.387 1078 I CB 0.025 38.038 38.000 0.020 0.000 1.404 1078 I HN 0.692 nan 8.210 nan 0.000 0.528 1079 R N 5.348 125.802 120.500 -0.077 0.000 2.795 1079 R HA 0.598 4.940 4.340 0.002 0.000 0.268 1079 R C -1.227 175.064 176.300 -0.016 0.000 1.041 1079 R CA -1.181 54.891 56.100 -0.046 0.000 0.927 1079 R CB 1.052 31.310 30.300 -0.071 0.000 1.235 1079 R HN 0.268 nan 8.270 nan 0.000 0.463 1080 L N 2.012 123.246 121.223 0.019 0.000 2.540 1080 L HA 0.126 4.467 4.340 0.002 0.000 0.276 1080 L C 0.506 177.401 176.870 0.042 0.000 1.212 1080 L CA -0.007 54.856 54.840 0.039 0.000 0.893 1080 L CB 0.177 42.259 42.059 0.038 0.000 1.138 1080 L HN 0.427 nan 8.230 nan 0.000 0.491 1081 I N 3.737 124.331 120.570 0.041 0.000 2.752 1081 I HA -0.057 4.114 4.170 0.002 0.000 0.289 1081 I C 0.413 176.633 176.117 0.172 0.000 1.197 1081 I CA 0.440 61.801 61.300 0.102 0.000 1.432 1081 I CB 0.031 38.081 38.000 0.082 0.000 1.359 1081 I HN 0.611 nan 8.210 nan 0.000 0.571 1082 E N 8.256 128.637 120.200 0.303 0.000 2.073 1082 E HA 0.209 4.561 4.350 0.002 0.000 0.269 1082 E C -1.898 174.924 176.600 0.369 0.000 0.917 1082 E CA -1.696 54.857 56.400 0.255 0.000 0.757 1082 E CB 1.324 31.138 29.700 0.190 0.000 1.111 1082 E HN 0.388 nan 8.360 nan 0.000 0.410 1083 P HA -0.213 nan 4.420 nan 0.000 0.216 1083 P C 0.617 178.077 177.300 0.267 0.000 1.150 1083 P CA 1.204 64.489 63.100 0.310 0.000 0.837 1083 P CB 0.326 32.121 31.700 0.159 0.000 0.786 1084 E N -0.207 120.087 120.200 0.156 0.000 2.160 1084 E HA -0.147 4.204 4.350 0.002 0.000 0.195 1084 E C 1.713 178.333 176.600 0.033 0.000 0.991 1084 E CA 0.929 57.378 56.400 0.082 0.000 0.810 1084 E CB -1.273 28.451 29.700 0.041 0.000 0.742 1084 E HN 0.282 nan 8.360 nan 0.000 0.466 1085 L N -0.596 120.618 121.223 -0.015 0.000 2.622 1085 L HA 0.055 4.396 4.340 0.002 0.000 0.233 1085 L C 0.262 176.720 176.870 -0.687 0.000 1.156 1085 L CA 0.380 55.016 54.840 -0.341 0.000 0.866 1085 L CB 0.001 41.779 42.059 -0.467 0.000 0.980 1085 L HN 0.097 nan 8.230 nan 0.000 0.448 1086 F N -1.154 118.907 119.950 0.185 0.000 2.608 1086 F HA 0.318 4.846 4.527 0.002 0.000 0.383 1086 F C 1.318 177.215 175.800 0.161 0.000 1.371 1086 F CA -0.545 57.576 58.000 0.202 0.000 1.123 1086 F CB 0.382 39.570 39.000 0.314 0.000 1.207 1086 F HN -0.063 nan 8.300 nan 0.000 0.512 1087 G N 0.699 109.619 108.800 0.200 0.000 2.379 1087 G HA2 -0.005 3.956 3.960 0.002 0.000 0.297 1087 G HA3 -0.005 3.956 3.960 0.002 0.000 0.297 1087 G C 1.246 176.248 174.900 0.171 0.000 1.004 1087 G CA 0.713 45.900 45.100 0.146 0.000 0.921 1087 G HN 1.478 nan 8.290 nan 0.000 0.511 1088 G N -2.111 106.813 108.800 0.207 0.000 2.176 1088 G HA2 -0.122 3.840 3.960 0.002 0.000 0.232 1088 G HA3 -0.122 3.840 3.960 0.002 0.000 0.232 1088 G C 0.458 175.487 174.900 0.215 0.000 0.986 1088 G CA 0.416 45.620 45.100 0.172 0.000 0.643 1088 G HN 1.981 nan 8.290 nan 0.000 0.522 1089 Y N 2.269 122.671 120.300 0.170 0.000 2.810 1089 Y HA 0.423 4.974 4.550 0.002 0.000 0.332 1089 Y C -0.074 175.907 175.900 0.134 0.000 1.243 1089 Y CA 0.203 58.382 58.100 0.132 0.000 1.537 1089 Y CB 0.780 39.313 38.460 0.121 0.000 1.265 1089 Y HN 0.174 nan 8.280 nan 0.000 0.572 1090 D N 8.172 128.289 120.400 -0.472 0.000 2.478 1090 D HA 0.260 4.901 4.640 0.002 0.000 0.240 1090 D C -2.458 173.515 176.300 -0.545 0.000 1.364 1090 D CA -2.046 51.686 54.000 -0.447 0.000 0.987 1090 D CB 2.036 42.749 40.800 -0.145 0.000 1.328 1090 D HN 0.252 nan 8.370 nan 0.000 0.584 1091 P HA -0.059 nan 4.420 nan 0.000 0.222 1091 P C 0.858 178.170 177.300 0.020 0.000 1.142 1091 P CA 0.677 63.677 63.100 -0.167 0.000 0.788 1091 P CB 0.354 32.044 31.700 -0.017 0.000 0.767 1092 N N -0.261 118.401 118.700 -0.064 0.000 2.463 1092 N HA -0.008 4.733 4.740 0.002 0.000 0.181 1092 N C 0.485 175.994 175.510 -0.002 0.000 1.078 1092 N CA 0.494 53.534 53.050 -0.016 0.000 0.902 1092 N CB 0.125 38.586 38.487 -0.044 0.000 0.970 1092 N HN 0.332 nan 8.380 nan 0.000 0.451 1093 R N 0.095 120.585 120.500 -0.017 0.000 2.734 1093 R HA 0.299 4.640 4.340 0.002 0.000 0.268 1093 R C -0.968 175.340 176.300 0.012 0.000 1.785 1093 R CA -0.695 55.406 56.100 0.002 0.000 1.461 1093 R CB 0.309 30.605 30.300 -0.007 0.000 1.308 1093 R HN -0.262 nan 8.270 nan 0.000 0.586 1094 K N 2.348 122.772 120.400 0.040 0.000 2.315 1094 K HA 0.026 4.348 4.320 0.002 0.000 0.291 1094 K C -0.279 176.308 176.600 -0.023 0.000 1.074 1094 K CA -0.086 56.220 56.287 0.032 0.000 0.936 1094 K CB 0.878 33.383 32.500 0.009 0.000 1.049 1094 K HN 0.514 nan 8.250 nan 0.000 0.471 1095 Q N 5.236 125.026 119.800 -0.016 0.000 2.297 1095 Q HA 0.165 4.507 4.340 0.002 0.000 0.267 1095 Q C -0.835 175.120 176.000 -0.075 0.000 1.006 1095 Q CA -0.113 55.671 55.803 -0.031 0.000 0.896 1095 Q CB 0.513 29.246 28.738 -0.008 0.000 1.186 1095 Q HN 0.618 nan 8.270 nan 0.000 0.392 1096 L N 3.617 124.801 121.223 -0.065 0.000 2.235 1096 L HA 0.619 4.961 4.340 0.002 0.000 0.260 1096 L C -0.591 176.257 176.870 -0.036 0.000 1.025 1096 L CA -1.311 53.485 54.840 -0.074 0.000 0.836 1096 L CB 1.570 43.582 42.059 -0.079 0.000 1.395 1096 L HN 0.635 nan 8.230 nan 0.000 0.443 1097 L N 0.902 122.110 121.223 -0.025 0.000 2.386 1097 L HA 0.494 4.836 4.340 0.002 0.000 0.271 1097 L C -0.782 176.089 176.870 0.001 0.000 0.993 1097 L CA -0.438 54.400 54.840 -0.004 0.000 0.819 1097 L CB 2.235 44.304 42.059 0.016 0.000 1.294 1097 L HN 0.549 nan 8.230 nan 0.000 0.414 1098 Q N 2.169 121.972 119.800 0.006 0.000 2.333 1098 Q HA 0.304 4.645 4.340 0.002 0.000 0.267 1098 Q C -0.947 175.065 176.000 0.019 0.000 1.012 1098 Q CA -0.673 55.136 55.803 0.010 0.000 0.824 1098 Q CB 2.042 30.784 28.738 0.007 0.000 1.290 1098 Q HN 0.506 nan 8.270 nan 0.000 0.449 1099 E N 1.967 122.182 120.200 0.025 0.000 2.324 1099 E HA 0.169 4.520 4.350 0.002 0.000 0.271 1099 E C -0.946 175.671 176.600 0.028 0.000 1.028 1099 E CA -0.055 56.364 56.400 0.033 0.000 0.890 1099 E CB 1.120 30.841 29.700 0.037 0.000 1.004 1099 E HN 0.297 nan 8.360 nan 0.000 0.431 1100 V N 3.538 123.471 119.914 0.031 0.000 2.680 1100 V HA 0.241 4.362 4.120 0.002 0.000 0.309 1100 V C -0.104 176.010 176.094 0.033 0.000 1.052 1100 V CA -0.935 61.380 62.300 0.026 0.000 0.908 1100 V CB 2.087 33.921 31.823 0.018 0.000 1.001 1100 V HN 0.368 nan 8.190 nan 0.000 0.431 1101 V N 5.294 125.225 119.914 0.029 0.000 2.333 1101 V HA 0.375 4.496 4.120 0.002 0.000 0.274 1101 V C 0.265 176.372 176.094 0.023 0.000 1.028 1101 V CA -0.387 61.932 62.300 0.032 0.000 0.851 1101 V CB 1.059 32.900 31.823 0.031 0.000 1.000 1101 V HN 0.663 nan 8.190 nan 0.000 0.456 1102 I N 4.194 124.776 120.570 0.020 0.000 2.845 1102 I HA -0.009 4.162 4.170 0.002 0.000 0.296 1102 I C 0.919 177.042 176.117 0.010 0.000 1.216 1102 I CA 0.716 62.022 61.300 0.010 0.000 1.438 1102 I CB 0.222 38.223 38.000 0.001 0.000 1.342 1102 I HN 0.673 nan 8.210 nan 0.000 0.577 1103 E N 6.473 126.677 120.200 0.007 0.000 2.830 1103 E HA 0.157 4.508 4.350 0.002 0.000 0.225 1103 E C -0.660 175.943 176.600 0.005 0.000 1.109 1103 E CA -0.236 56.168 56.400 0.008 0.000 1.392 1103 E CB 0.416 30.121 29.700 0.008 0.000 1.349 1103 E HN 0.597 nan 8.360 nan 0.000 0.433 1104 Q N -0.862 118.940 119.800 0.002 0.000 2.900 1104 Q HA 0.229 4.571 4.340 0.002 0.000 0.297 1104 Q C -1.653 174.345 176.000 -0.004 0.000 0.889 1104 Q CA -0.953 54.850 55.803 -0.000 0.000 0.777 1104 Q CB 0.530 29.267 28.738 -0.001 0.000 1.518 1104 Q HN -0.169 nan 8.270 nan 0.000 0.430 1105 D N 1.448 121.846 120.400 -0.005 0.000 2.341 1105 D HA 0.536 5.177 4.640 0.002 0.000 0.245 1105 D C -0.276 176.019 176.300 -0.008 0.000 1.106 1105 D CA -0.120 53.874 54.000 -0.009 0.000 0.905 1105 D CB 0.990 41.786 40.800 -0.006 0.000 1.202 1105 D HN 0.513 nan 8.370 nan 0.000 0.426 1106 L N -1.324 119.893 121.223 -0.010 0.000 2.319 1106 L HA 0.701 5.042 4.340 0.002 0.000 0.267 1106 L C 0.071 176.948 176.870 0.011 0.000 1.011 1106 L CA -1.126 53.714 54.840 0.001 0.000 0.818 1106 L CB 1.390 43.450 42.059 0.003 0.000 1.316 1106 L HN -0.008 nan 8.230 nan 0.000 0.432 1107 E N 1.543 121.755 120.200 0.021 0.000 2.418 1107 E HA 0.243 4.595 4.350 0.002 0.000 0.261 1107 E C -2.291 174.343 176.600 0.057 0.000 1.070 1107 E CA -0.949 55.466 56.400 0.025 0.000 0.931 1107 E CB 0.399 30.113 29.700 0.023 0.000 0.954 1107 E HN 0.525 nan 8.360 nan 0.000 0.439 1108 P HA 0.081 nan 4.420 nan 0.000 0.268 1108 P C -1.142 176.187 177.300 0.049 0.000 1.205 1108 P CA 0.296 63.366 63.100 -0.049 0.000 0.771 1108 P CB 0.242 31.913 31.700 -0.047 0.000 0.858 1109 F N -1.036 118.874 119.950 -0.067 0.000 2.579 1109 F HA 0.610 5.138 4.527 0.002 0.000 0.324 1109 F C 0.121 175.908 175.800 -0.022 0.000 1.058 1109 F CA -1.387 56.583 58.000 -0.051 0.000 0.944 1109 F CB 1.202 40.158 39.000 -0.074 0.000 1.245 1109 F HN 0.154 nan 8.300 nan 0.000 0.477 1110 E N 0.896 121.190 120.200 0.157 0.000 2.349 1110 E HA 0.665 5.016 4.350 0.002 0.000 0.262 1110 E C -0.733 175.975 176.600 0.181 0.000 1.088 1110 E CA -0.735 55.725 56.400 0.099 0.000 0.899 1110 E CB 1.579 31.338 29.700 0.097 0.000 1.044 1110 E HN 0.881 nan 8.360 nan 0.000 0.420 1111 A N 0.994 123.905 122.820 0.152 0.000 2.601 1111 A HA 0.409 4.730 4.320 0.002 0.000 0.291 1111 A C -0.604 177.079 177.584 0.165 0.000 1.075 1111 A CA -0.748 51.409 52.037 0.199 0.000 0.671 1111 A CB 1.108 20.248 19.000 0.234 0.000 1.277 1111 A HN 0.590 nan 8.150 nan 0.000 0.417 1112 S N 0.422 116.201 115.700 0.131 0.000 2.584 1112 S HA 0.230 4.701 4.470 0.002 0.000 0.270 1112 S C 1.063 175.669 174.600 0.011 0.000 1.346 1112 S CA 0.476 58.726 58.200 0.084 0.000 1.018 1112 S CB 0.954 64.184 63.200 0.050 0.000 0.899 1112 S HN 0.957 nan 8.310 nan 0.000 0.542 1113 K N 1.046 121.431 120.400 -0.026 0.000 2.074 1113 K HA -0.194 4.127 4.320 0.002 0.000 0.209 1113 K C 1.967 178.372 176.600 -0.326 0.000 1.048 1113 K CA 1.844 57.917 56.287 -0.356 0.000 0.926 1113 K CB -0.259 32.138 32.500 -0.172 0.000 0.713 1113 K HN 0.784 nan 8.250 nan 0.000 0.444 1114 E N 0.404 120.516 120.200 -0.146 0.000 2.058 1114 E HA -0.241 4.110 4.350 0.002 0.000 0.194 1114 E C 2.260 178.795 176.600 -0.109 0.000 0.997 1114 E CA 1.503 57.833 56.400 -0.117 0.000 0.801 1114 E CB -0.037 29.622 29.700 -0.069 0.000 0.746 1114 E HN 0.463 nan 8.360 nan 0.000 0.450 1115 Q N 0.069 119.835 119.800 -0.056 0.000 2.050 1115 Q HA -0.152 4.189 4.340 0.002 0.000 0.202 1115 Q C 2.237 178.284 176.000 0.079 0.000 0.980 1115 Q CA 1.253 57.044 55.803 -0.021 0.000 0.840 1115 Q CB -0.201 28.608 28.738 0.118 0.000 0.898 1115 Q HN 0.220 nan 8.270 nan 0.000 0.424 1116 A N 1.593 124.459 122.820 0.076 0.000 1.873 1116 A HA -0.303 4.019 4.320 0.002 0.000 0.218 1116 A C 1.870 179.463 177.584 0.014 0.000 1.193 1116 A CA 1.944 54.025 52.037 0.072 0.000 0.629 1116 A CB -0.673 18.207 19.000 -0.199 0.000 0.826 1116 A HN 0.398 nan 8.150 nan 0.000 0.447 1117 E N -0.435 119.682 120.200 -0.139 0.000 2.049 1117 E HA -0.257 4.094 4.350 0.002 0.000 0.198 1117 E C 2.018 178.584 176.600 -0.057 0.000 1.007 1117 E CA 1.498 57.831 56.400 -0.111 0.000 0.809 1117 E CB -0.350 29.263 29.700 -0.146 0.000 0.749 1117 E HN 0.759 nan 8.360 nan 0.000 0.450 1118 E N 0.241 120.381 120.200 -0.100 0.000 2.086 1118 E HA -0.228 4.123 4.350 0.002 0.000 0.205 1118 E C 1.947 178.479 176.600 -0.113 0.000 1.027 1118 E CA 1.535 57.840 56.400 -0.158 0.000 0.830 1118 E CB -0.335 29.199 29.700 -0.277 0.000 0.751 1118 E HN 0.237 nan 8.360 nan 0.000 0.456 1119 F N 0.733 120.698 119.950 0.025 0.000 2.126 1119 F HA -0.206 4.322 4.527 0.002 0.000 0.299 1119 F C 2.546 178.420 175.800 0.124 0.000 1.096 1119 F CA 1.221 59.291 58.000 0.116 0.000 1.255 1119 F CB -0.054 39.004 39.000 0.098 0.000 0.997 1119 F HN -0.101 nan 8.300 nan 0.000 0.479 1120 K N 0.576 121.110 120.400 0.224 0.000 2.148 1120 K HA -0.148 4.173 4.320 0.002 0.000 0.204 1120 K C 2.132 178.777 176.600 0.075 0.000 1.050 1120 K CA 0.943 57.299 56.287 0.114 0.000 0.942 1120 K CB -0.143 32.368 32.500 0.019 0.000 0.724 1120 K HN 0.015 nan 8.250 nan 0.000 0.446 1121 R N 0.277 120.799 120.500 0.035 0.000 2.073 1121 R HA -0.177 4.164 4.340 0.002 0.000 0.234 1121 R C 2.019 178.309 176.300 -0.017 0.000 1.134 1121 R CA 2.005 58.101 56.100 -0.006 0.000 0.952 1121 R CB -0.183 30.096 30.300 -0.036 0.000 0.850 1121 R HN 0.213 nan 8.270 nan 0.000 0.433 1122 E N -0.712 119.468 120.200 -0.034 0.000 2.107 1122 E HA -0.162 4.189 4.350 0.002 0.000 0.191 1122 E C 1.474 177.955 176.600 -0.198 0.000 0.982 1122 E CA 1.506 57.818 56.400 -0.146 0.000 0.809 1122 E CB 0.059 29.615 29.700 -0.239 0.000 0.756 1122 E HN 0.492 nan 8.360 nan 0.000 0.459 1123 H N -1.152 117.953 119.070 0.057 0.000 2.557 1123 H HA 0.238 4.795 4.556 0.002 0.000 0.281 1123 H C 1.518 176.861 175.328 0.025 0.000 0.990 1123 H CA 0.722 56.800 56.048 0.051 0.000 1.278 1123 H CB 0.364 30.170 29.762 0.073 0.000 1.451 1123 H HN 0.295 nan 8.280 nan 0.000 0.516 1124 G N 2.338 111.213 108.800 0.125 0.000 2.646 1124 G HA2 -0.441 3.521 3.960 0.002 0.000 0.324 1124 G HA3 -0.441 3.521 3.960 0.002 0.000 0.324 1124 G C 1.016 175.947 174.900 0.051 0.000 1.195 1124 G CA 0.903 46.040 45.100 0.061 0.000 0.976 1124 G HN 0.370 nan 8.290 nan 0.000 0.546 1125 D N 0.785 121.211 120.400 0.043 0.000 2.191 1125 D HA -0.075 4.566 4.640 0.002 0.000 0.195 1125 D C 2.186 178.507 176.300 0.034 0.000 1.003 1125 D CA 1.730 55.750 54.000 0.033 0.000 0.867 1125 D CB -0.127 40.692 40.800 0.033 0.000 0.926 1125 D HN 0.392 nan 8.370 nan 0.000 0.450 1126 K N -0.494 119.941 120.400 0.058 0.000 2.446 1126 K HA 0.239 4.560 4.320 0.002 0.000 0.203 1126 K C -0.707 175.888 176.600 -0.008 0.000 1.027 1126 K CA -0.095 56.216 56.287 0.040 0.000 1.166 1126 K CB 0.977 33.523 32.500 0.077 0.000 0.869 1126 K HN -0.109 nan 8.250 nan 0.000 0.504 1127 V N 0.463 120.374 119.914 -0.006 0.000 2.932 1127 V HA 0.266 4.388 4.120 0.002 0.000 0.307 1127 V C -1.037 174.998 176.094 -0.097 0.000 1.147 1127 V CA -1.028 61.231 62.300 -0.069 0.000 0.951 1127 V CB 2.485 34.275 31.823 -0.055 0.000 1.031 1127 V HN 0.093 nan 8.190 nan 0.000 0.426 1128 E N 4.678 124.791 120.200 -0.145 0.000 2.158 1128 E HA 0.672 5.023 4.350 0.002 0.000 0.271 1128 E C -1.043 175.325 176.600 -0.386 0.000 0.911 1128 E CA -0.498 55.742 56.400 -0.267 0.000 0.767 1128 E CB 2.358 32.016 29.700 -0.069 0.000 1.120 1128 E HN 0.670 nan 8.360 nan 0.000 0.405 1129 I N -0.524 119.702 120.570 -0.573 0.000 2.608 1129 I HA 0.653 4.824 4.170 0.002 0.000 0.295 1129 I C -1.049 174.693 176.117 -0.626 0.000 1.049 1129 I CA -0.981 60.085 61.300 -0.391 0.000 1.063 1129 I CB 1.137 39.093 38.000 -0.072 0.000 1.248 1129 I HN 0.281 nan 8.210 nan 0.000 0.424 1130 F N 1.569 121.551 119.950 0.053 0.000 2.601 1130 F HA 0.461 4.989 4.527 0.002 0.000 0.309 1130 F C 0.312 175.797 175.800 -0.525 0.000 1.089 1130 F CA -0.761 57.163 58.000 -0.128 0.000 0.940 1130 F CB 1.685 40.615 39.000 -0.116 0.000 1.273 1130 F HN 0.512 nan 8.300 nan 0.000 0.450 1131 E N 1.484 121.311 120.200 -0.622 0.000 2.418 1131 E HA 0.205 4.556 4.350 0.002 0.000 0.261 1131 E C -0.676 175.709 176.600 -0.358 0.000 1.070 1131 E CA 0.073 55.941 56.400 -0.885 0.000 0.931 1131 E CB 0.893 30.273 29.700 -0.533 0.000 0.954 1131 E HN 0.419 nan 8.360 nan 0.000 0.439 1132 I N 4.494 124.900 120.570 -0.274 0.000 2.287 1132 I HA 0.086 4.257 4.170 0.002 0.000 0.290 1132 I C -1.704 174.351 176.117 -0.102 0.000 1.069 1132 I CA -1.942 59.282 61.300 -0.127 0.000 1.237 1132 I CB 1.085 39.046 38.000 -0.066 0.000 1.418 1132 I HN 0.277 nan 8.210 nan 0.000 0.481 1133 P HA -0.166 nan 4.420 nan 0.000 0.222 1133 P C 0.701 177.977 177.300 -0.040 0.000 1.142 1133 P CA 1.333 64.394 63.100 -0.064 0.000 0.788 1133 P CB 0.226 31.893 31.700 -0.055 0.000 0.767 1134 E N -1.478 118.701 120.200 -0.035 0.000 2.166 1134 E HA -0.004 4.347 4.350 0.002 0.000 0.192 1134 E C 1.022 177.617 176.600 -0.009 0.000 0.967 1134 E CA 1.372 57.760 56.400 -0.020 0.000 0.840 1134 E CB -0.294 29.394 29.700 -0.019 0.000 0.795 1134 E HN 0.289 nan 8.360 nan 0.000 0.470 1135 T N -3.040 111.510 114.554 -0.007 0.000 3.231 1135 T HA 0.386 4.738 4.350 0.002 0.000 0.292 1135 T C 1.372 176.088 174.700 0.028 0.000 1.001 1135 T CA -0.015 62.092 62.100 0.011 0.000 0.920 1135 T CB 0.863 69.741 68.868 0.017 0.000 1.140 1135 T HN 0.246 nan 8.240 nan 0.000 0.525 1136 G N 1.689 110.500 108.800 0.018 0.000 2.186 1136 G HA2 -0.292 3.670 3.960 0.002 0.000 0.266 1136 G HA3 -0.292 3.670 3.960 0.002 0.000 0.266 1136 G C 0.282 175.259 174.900 0.128 0.000 0.982 1136 G CA 0.467 45.601 45.100 0.057 0.000 0.670 1136 G HN 0.591 nan 8.290 nan 0.000 0.533 1137 Q N -1.220 118.633 119.800 0.090 0.000 2.397 1137 Q HA 0.679 5.020 4.340 0.002 0.000 0.193 1137 Q C 0.021 176.128 176.000 0.179 0.000 1.083 1137 Q CA -0.000 55.901 55.803 0.163 0.000 1.108 1137 Q CB 0.510 29.305 28.738 0.096 0.000 1.172 1137 Q HN 0.484 nan 8.270 nan 0.000 0.617 1138 Y N -1.371 118.939 120.300 0.016 0.000 2.669 1138 Y HA 0.382 4.933 4.550 0.001 0.000 0.335 1138 Y C -0.228 175.649 175.900 -0.038 0.000 1.116 1138 Y CA -0.750 57.351 58.100 0.001 0.000 1.081 1138 Y CB 2.333 40.787 38.460 -0.010 0.000 1.297 1138 Y HN 0.553 nan 8.280 nan 0.000 0.484 1139 T N -0.793 113.816 114.554 0.092 0.000 2.881 1139 T HA 0.707 5.059 4.350 0.002 0.000 0.290 1139 T C -1.650 172.931 174.700 -0.198 0.000 1.000 1139 T CA -0.737 61.328 62.100 -0.058 0.000 0.978 1139 T CB 0.907 69.779 68.868 0.007 0.000 0.997 1139 T HN 0.335 nan 8.240 nan 0.000 0.443 1140 V N 3.658 123.235 119.914 -0.562 0.000 2.409 1140 V HA 0.642 4.764 4.120 0.002 0.000 0.291 1140 V C 0.177 175.860 176.094 -0.686 0.000 1.020 1140 V CA -0.915 60.920 62.300 -0.775 0.000 0.848 1140 V CB 1.267 32.260 31.823 -1.384 0.000 0.990 1140 V HN 1.009 nan 8.190 nan 0.000 0.430 1141 R N 4.472 124.762 120.500 -0.351 0.000 2.439 1141 R HA 0.640 4.981 4.340 0.002 0.000 0.310 1141 R C -1.588 174.608 176.300 -0.174 0.000 0.955 1141 R CA -0.773 55.207 56.100 -0.200 0.000 0.853 1141 R CB 1.273 31.527 30.300 -0.077 0.000 1.171 1141 R HN 0.600 nan 8.270 nan 0.000 0.449 1142 L N 4.309 125.443 121.223 -0.148 0.000 2.349 1142 L HA 0.423 4.765 4.340 0.002 0.000 0.275 1142 L C 0.895 177.714 176.870 -0.084 0.000 1.115 1142 L CA 0.068 54.815 54.840 -0.156 0.000 0.820 1142 L CB 0.766 42.717 42.059 -0.181 0.000 1.135 1142 L HN 0.492 nan 8.230 nan 0.000 0.445 1143 R N 1.349 121.808 120.500 -0.067 0.000 2.608 1143 R HA 0.359 4.700 4.340 0.002 0.000 0.255 1143 R C -0.157 176.134 176.300 -0.016 0.000 1.086 1143 R CA -1.174 54.910 56.100 -0.028 0.000 1.125 1143 R CB 0.805 31.098 30.300 -0.011 0.000 1.193 1143 R HN 0.474 nan 8.270 nan 0.000 0.553 1144 K N 0.220 120.619 120.400 -0.003 0.000 2.484 1144 K HA -0.004 4.317 4.320 0.002 0.000 0.280 1144 K C 0.559 177.167 176.600 0.013 0.000 1.013 1144 K CA 1.300 57.590 56.287 0.005 0.000 1.029 1144 K CB 0.147 32.651 32.500 0.007 0.000 0.902 1144 K HN 0.773 nan 8.250 nan 0.000 0.481 1145 G N 1.993 110.805 108.800 0.019 0.000 2.259 1145 G HA2 -0.252 3.709 3.960 0.002 0.000 0.217 1145 G HA3 -0.252 3.709 3.960 0.002 0.000 0.217 1145 G C 0.199 175.129 174.900 0.050 0.000 1.001 1145 G CA -0.044 45.075 45.100 0.032 0.000 0.627 1145 G HN 0.968 nan 8.290 nan 0.000 0.501 1146 A N 0.251 123.096 122.820 0.042 0.000 2.492 1146 A HA 0.576 4.897 4.320 0.002 0.000 0.236 1146 A C 0.644 178.284 177.584 0.093 0.000 1.078 1146 A CA 1.629 53.707 52.037 0.068 0.000 0.773 1146 A CB 0.172 19.142 19.000 -0.050 0.000 1.023 1146 A HN 0.981 nan 8.150 nan 0.000 0.504 1147 T N 1.912 116.574 114.554 0.180 0.000 2.792 1147 T HA 0.586 4.937 4.350 0.002 0.000 0.280 1147 T C -0.293 174.504 174.700 0.163 0.000 0.990 1147 T CA -0.213 61.975 62.100 0.148 0.000 0.960 1147 T CB 0.696 69.643 68.868 0.131 0.000 0.939 1147 T HN 0.467 nan 8.240 nan 0.000 0.439 1148 L N 2.648 123.927 121.223 0.093 0.000 2.279 1148 L HA 0.665 5.006 4.340 0.002 0.000 0.262 1148 L C -0.970 175.933 176.870 0.055 0.000 1.019 1148 L CA -1.300 53.584 54.840 0.072 0.000 0.823 1148 L CB 1.916 43.995 42.059 0.034 0.000 1.358 1148 L HN 0.420 nan 8.230 nan 0.000 0.432 1149 L N 2.842 124.088 121.223 0.039 0.000 2.342 1149 L HA 0.510 4.852 4.340 0.002 0.000 0.276 1149 L C -0.832 176.043 176.870 0.008 0.000 0.997 1149 L CA -0.290 54.566 54.840 0.027 0.000 0.838 1149 L CB 1.772 43.847 42.059 0.027 0.000 1.224 1149 L HN 0.397 nan 8.230 nan 0.000 0.416 1150 I N 4.515 125.089 120.570 0.007 0.000 2.339 1150 I HA 0.366 4.537 4.170 0.002 0.000 0.290 1150 I C -2.150 173.965 176.117 -0.004 0.000 0.994 1150 I CA -2.135 59.163 61.300 -0.002 0.000 1.191 1150 I CB 1.557 39.556 38.000 -0.002 0.000 1.343 1150 I HN 0.240 nan 8.210 nan 0.000 0.458 1151 P HA 0.076 nan 4.420 nan 0.000 0.267 1151 P C -1.052 176.243 177.300 -0.009 0.000 1.200 1151 P CA 0.019 63.114 63.100 -0.010 0.000 0.772 1151 P CB 0.481 32.173 31.700 -0.012 0.000 0.855 1152 K N 0.644 121.038 120.400 -0.011 0.000 2.499 1152 K HA 0.912 5.233 4.320 0.002 0.000 0.277 1152 K C -1.736 174.858 176.600 -0.010 0.000 1.025 1152 K CA -1.251 55.031 56.287 -0.008 0.000 0.900 1152 K CB 1.812 34.309 32.500 -0.005 0.000 1.494 1152 K HN 0.296 nan 8.250 nan 0.000 0.442 1153 A N 1.046 123.864 122.820 -0.003 0.000 2.498 1153 A HA 0.776 5.097 4.320 0.002 0.000 0.298 1153 A C -1.417 176.176 177.584 0.015 0.000 1.075 1153 A CA -0.934 51.104 52.037 0.001 0.000 0.714 1153 A CB 1.395 20.397 19.000 0.004 0.000 1.299 1153 A HN 0.574 nan 8.150 nan 0.000 0.407 1154 L N 0.222 121.462 121.223 0.029 0.000 2.333 1154 L HA 0.493 4.834 4.340 0.002 0.000 0.263 1154 L C -0.363 176.565 176.870 0.096 0.000 1.014 1154 L CA -0.602 54.276 54.840 0.064 0.000 0.820 1154 L CB 2.401 44.510 42.059 0.084 0.000 1.352 1154 L HN 0.835 nan 8.230 nan 0.000 0.421 1155 Q N 1.610 121.477 119.800 0.112 0.000 2.465 1155 Q HA 0.308 4.649 4.340 0.002 0.000 0.237 1155 Q C -1.103 175.027 176.000 0.217 0.000 1.051 1155 Q CA -0.455 55.422 55.803 0.122 0.000 0.874 1155 Q CB 1.183 29.957 28.738 0.061 0.000 1.207 1155 Q HN 0.244 nan 8.270 nan 0.000 0.508 1156 F N 2.298 122.284 119.950 0.060 0.000 2.389 1156 F HA 0.143 4.671 4.527 0.002 0.000 0.337 1156 F C 0.775 176.606 175.800 0.051 0.000 1.112 1156 F CA -0.721 57.334 58.000 0.091 0.000 1.192 1156 F CB 1.069 40.177 39.000 0.179 0.000 1.185 1156 F HN 0.497 nan 8.300 nan 0.000 0.552 1157 D N 2.578 122.793 120.400 -0.308 0.000 2.305 1157 D HA -0.031 4.610 4.640 0.002 0.000 0.206 1157 D C 0.513 176.570 176.300 -0.406 0.000 0.974 1157 D CA 0.587 54.416 54.000 -0.286 0.000 0.871 1157 D CB 0.036 40.721 40.800 -0.191 0.000 0.947 1157 D HN 0.289 nan 8.370 nan 0.000 0.516 1158 R N 1.504 121.508 120.500 -0.828 0.000 3.268 1158 R HA 0.214 4.555 4.340 0.002 0.000 0.217 1158 R C 0.796 176.962 176.300 -0.223 0.000 1.568 1158 R CA -0.113 55.688 56.100 -0.499 0.000 1.322 1158 R CB -0.241 29.727 30.300 -0.553 0.000 1.280 1158 R HN 0.153 nan 8.270 nan 0.000 0.667 1159 L N 0.474 121.639 121.223 -0.096 0.000 2.418 1159 L HA 0.041 4.382 4.340 0.002 0.000 0.218 1159 L C 0.589 177.470 176.870 0.019 0.000 1.125 1159 L CA 0.705 55.540 54.840 -0.008 0.000 0.835 1159 L CB 0.199 42.289 42.059 0.052 0.000 0.953 1159 L HN 0.052 nan 8.230 nan 0.000 0.454 1160 V N -0.954 118.953 119.914 -0.011 0.000 2.628 1160 V HA 0.896 5.018 4.120 0.002 0.000 0.306 1160 V C -0.178 175.830 176.094 -0.144 0.000 1.045 1160 V CA -0.773 61.500 62.300 -0.045 0.000 0.905 1160 V CB 1.432 33.230 31.823 -0.041 0.000 0.997 1160 V HN 0.015 nan 8.190 nan 0.000 0.436 1161 A N 2.149 124.842 122.820 -0.211 0.000 2.589 1161 A HA 0.807 5.128 4.320 0.002 0.000 0.296 1161 A C -0.172 177.264 177.584 -0.246 0.000 1.062 1161 A CA -0.116 51.704 52.037 -0.361 0.000 0.686 1161 A CB 1.593 20.021 19.000 -0.953 0.000 1.282 1161 A HN 1.336 nan 8.150 nan 0.000 0.404 1162 G N 0.755 109.456 108.800 -0.165 0.000 2.351 1162 G HA2 0.519 4.480 3.960 0.002 0.000 0.287 1162 G HA3 0.519 4.480 3.960 0.002 0.000 0.287 1162 G C -0.408 174.455 174.900 -0.061 0.000 1.159 1162 G CA -0.117 44.932 45.100 -0.084 0.000 0.929 1162 G HN 0.726 nan 8.290 nan 0.000 0.435 1163 Q N 1.759 121.514 119.800 -0.074 0.000 2.365 1163 Q HA 0.416 4.757 4.340 0.002 0.000 0.269 1163 Q C -0.467 175.484 176.000 -0.080 0.000 1.061 1163 Q CA -1.082 54.723 55.803 0.003 0.000 0.816 1163 Q CB 2.536 31.345 28.738 0.118 0.000 1.325 1163 Q HN 0.463 nan 8.270 nan 0.000 0.446 1164 I N 3.298 123.811 120.570 -0.096 0.000 2.996 1164 I HA -0.093 4.078 4.170 0.002 0.000 0.311 1164 I C -2.071 173.996 176.117 -0.084 0.000 1.219 1164 I CA -0.673 60.522 61.300 -0.176 0.000 1.452 1164 I CB -0.273 37.560 38.000 -0.278 0.000 1.319 1164 I HN 0.416 nan 8.210 nan 0.000 0.564 1165 P HA -0.087 nan 4.420 nan 0.000 0.261 1165 P C -0.496 176.850 177.300 0.077 0.000 1.165 1165 P CA 0.316 63.417 63.100 0.000 0.000 0.759 1165 P CB 0.004 31.733 31.700 0.048 0.000 0.772 1166 T N 3.428 118.029 114.554 0.079 0.000 2.972 1166 T HA 0.301 4.652 4.350 0.002 0.000 0.245 1166 T C 1.349 176.089 174.700 0.067 0.000 0.977 1166 T CA 1.118 63.257 62.100 0.066 0.000 1.266 1166 T CB -0.973 67.911 68.868 0.028 0.000 0.985 1166 T HN 0.753 nan 8.240 nan 0.000 0.605 1167 G N 2.359 111.194 108.800 0.058 0.000 3.254 1167 G HA2 -0.130 3.832 3.960 0.002 0.000 0.219 1167 G HA3 -0.130 3.832 3.960 0.002 0.000 0.219 1167 G C -0.057 174.842 174.900 -0.001 0.000 0.964 1167 G CA -1.008 44.086 45.100 -0.009 0.000 0.823 1167 G HN 0.613 nan 8.290 nan 0.000 0.579 1168 W N 2.499 123.757 121.300 -0.070 0.000 2.223 1168 W HA 0.543 5.204 4.660 0.002 0.000 0.334 1168 W C -0.511 175.987 176.519 -0.035 0.000 1.334 1168 W CA 0.946 58.266 57.345 -0.043 0.000 1.246 1168 W CB 0.890 30.377 29.460 0.045 0.000 1.184 1168 W HN 0.077 nan 8.180 nan 0.000 0.563 1169 D N 3.453 123.382 120.400 -0.786 0.000 2.964 1169 D HA 0.349 4.990 4.640 0.002 0.000 0.234 1169 D C 0.472 176.140 176.300 -1.053 0.000 1.223 1169 D CA -0.179 53.387 54.000 -0.723 0.000 0.889 1169 D CB 1.973 42.518 40.800 -0.425 0.000 1.609 1169 D HN 0.412 nan 8.370 nan 0.000 0.523 1170 A N 3.526 125.843 122.820 -0.839 0.000 2.225 1170 A HA -0.098 4.223 4.320 0.002 0.000 0.215 1170 A C 1.860 179.255 177.584 -0.314 0.000 1.164 1170 A CA 1.020 52.754 52.037 -0.504 0.000 0.710 1170 A CB -0.247 18.601 19.000 -0.254 0.000 0.780 1170 A HN 0.583 nan 8.150 nan 0.000 0.473 1171 R N -0.798 119.488 120.500 -0.358 0.000 2.127 1171 R HA 0.050 4.392 4.340 0.002 0.000 0.217 1171 R C 2.171 178.298 176.300 -0.289 0.000 1.074 1171 R CA 0.542 56.479 56.100 -0.270 0.000 0.991 1171 R CB -0.103 30.051 30.300 -0.243 0.000 0.895 1171 R HN 0.489 nan 8.270 nan 0.000 0.450 1172 R N -0.592 119.620 120.500 -0.480 0.000 2.105 1172 R HA -0.167 4.174 4.340 0.002 0.000 0.239 1172 R C 1.593 177.663 176.300 -0.383 0.000 1.135 1172 R CA 1.460 57.179 56.100 -0.634 0.000 0.967 1172 R CB -0.277 29.297 30.300 -1.209 0.000 0.861 1172 R HN 0.354 nan 8.270 nan 0.000 0.442 1173 Y N -0.630 119.587 120.300 -0.138 0.000 2.395 1173 Y HA 0.021 4.572 4.550 0.002 0.000 0.293 1173 Y C 1.804 177.761 175.900 0.095 0.000 1.123 1173 Y CA 0.923 59.079 58.100 0.092 0.000 1.227 1173 Y CB 0.426 38.948 38.460 0.102 0.000 1.012 1173 Y HN 0.350 nan 8.280 nan 0.000 0.552 1174 G N -0.709 108.162 108.800 0.118 0.000 2.198 1174 G HA2 -0.207 3.754 3.960 0.002 0.000 0.156 1174 G HA3 -0.207 3.754 3.960 0.002 0.000 0.156 1174 G C -0.326 174.608 174.900 0.058 0.000 1.012 1174 G CA -0.228 44.943 45.100 0.118 0.000 0.692 1174 G HN 0.026 nan 8.290 nan 0.000 0.492 1175 V N 2.419 122.211 119.914 -0.203 0.000 2.599 1175 V HA 0.276 4.397 4.120 0.002 0.000 0.300 1175 V C -1.245 174.731 176.094 -0.195 0.000 1.034 1175 V CA -0.476 61.555 62.300 -0.448 0.000 1.115 1175 V CB 0.859 32.316 31.823 -0.610 0.000 0.934 1175 V HN 0.188 nan 8.190 nan 0.000 0.485 1176 P HA 0.078 nan 4.420 nan 0.000 0.268 1176 P C 0.659 177.896 177.300 -0.104 0.000 1.205 1176 P CA -0.079 62.985 63.100 -0.059 0.000 0.771 1176 P CB 0.715 32.410 31.700 -0.008 0.000 0.858 1177 E N 3.213 123.364 120.200 -0.082 0.000 2.070 1177 E HA -0.272 4.079 4.350 0.002 0.000 0.197 1177 E C 1.290 177.832 176.600 -0.095 0.000 1.004 1177 E CA 2.136 58.481 56.400 -0.092 0.000 0.805 1177 E CB -0.618 29.040 29.700 -0.068 0.000 0.744 1177 E HN 0.521 nan 8.360 nan 0.000 0.451 1178 D N 0.317 120.674 120.400 -0.072 0.000 2.149 1178 D HA -0.206 4.436 4.640 0.002 0.000 0.198 1178 D C 1.911 178.139 176.300 -0.120 0.000 0.990 1178 D CA 1.039 54.998 54.000 -0.068 0.000 0.839 1178 D CB -0.366 40.416 40.800 -0.030 0.000 0.948 1178 D HN 0.312 nan 8.370 nan 0.000 0.460 1179 I N 0.769 121.241 120.570 -0.164 0.000 2.439 1179 I HA -0.129 4.043 4.170 0.002 0.000 0.251 1179 I C 2.553 178.482 176.117 -0.313 0.000 1.139 1179 I CA 0.297 61.417 61.300 -0.299 0.000 1.438 1179 I CB -0.431 37.379 38.000 -0.317 0.000 1.085 1179 I HN 0.022 nan 8.210 nan 0.000 0.427 1180 I N 0.723 121.153 120.570 -0.234 0.000 2.163 1180 I HA -0.277 3.894 4.170 0.002 0.000 0.243 1180 I C 2.532 178.543 176.117 -0.177 0.000 1.085 1180 I CA 1.456 62.630 61.300 -0.210 0.000 1.347 1180 I CB -0.898 36.998 38.000 -0.173 0.000 1.044 1180 I HN 0.329 nan 8.210 nan 0.000 0.408 1181 Q N 0.028 119.743 119.800 -0.142 0.000 2.224 1181 Q HA -0.225 4.117 4.340 0.002 0.000 0.203 1181 Q C 2.090 178.030 176.000 -0.100 0.000 0.970 1181 Q CA 1.274 57.015 55.803 -0.103 0.000 0.865 1181 Q CB -0.276 28.418 28.738 -0.073 0.000 0.922 1181 Q HN 0.569 nan 8.270 nan 0.000 0.445 1182 Q N 0.092 119.808 119.800 -0.140 0.000 2.212 1182 Q HA 0.009 4.350 4.340 0.002 0.000 0.199 1182 Q C 0.209 176.131 176.000 -0.129 0.000 0.950 1182 Q CA 0.464 56.198 55.803 -0.115 0.000 0.863 1182 Q CB 0.596 29.257 28.738 -0.129 0.000 0.944 1182 Q HN 0.065 nan 8.270 nan 0.000 0.465 1183 V N 0.881 120.651 119.914 -0.240 0.000 2.994 1183 V HA 0.262 4.384 4.120 0.002 0.000 0.318 1183 V C -0.017 175.984 176.094 -0.157 0.000 1.085 1183 V CA -1.133 61.025 62.300 -0.236 0.000 0.998 1183 V CB 1.503 33.025 31.823 -0.501 0.000 1.063 1183 V HN 0.173 nan 8.190 nan 0.000 0.447 1184 D N 2.028 122.369 120.400 -0.097 0.000 2.414 1184 D HA 0.121 4.762 4.640 0.002 0.000 0.242 1184 D C -1.665 174.526 176.300 -0.182 0.000 1.129 1184 D CA -1.268 52.679 54.000 -0.089 0.000 0.885 1184 D CB 2.066 42.850 40.800 -0.026 0.000 1.198 1184 D HN 0.201 nan 8.370 nan 0.000 0.437 1185 P HA -0.184 nan 4.420 nan 0.000 0.216 1185 P C 1.721 178.607 177.300 -0.690 0.000 1.154 1185 P CA 0.610 63.475 63.100 -0.392 0.000 0.865 1185 P CB 0.222 31.761 31.700 -0.270 0.000 0.789 1186 V N -0.374 119.297 119.914 -0.405 0.000 2.233 1186 V HA -0.346 3.775 4.120 0.002 0.000 0.252 1186 V C 2.311 178.181 176.094 -0.372 0.000 1.063 1186 V CA 2.854 64.988 62.300 -0.278 0.000 1.032 1186 V CB -1.691 30.099 31.823 -0.055 0.000 0.645 1186 V HN 0.221 nan 8.190 nan 0.000 0.446 1187 T N -0.025 114.342 114.554 -0.311 0.000 2.759 1187 T HA -0.168 4.183 4.350 0.002 0.000 0.269 1187 T C 1.794 176.372 174.700 -0.203 0.000 1.042 1187 T CA 1.516 63.469 62.100 -0.245 0.000 1.140 1187 T CB -0.266 68.507 68.868 -0.157 0.000 0.864 1187 T HN 0.313 nan 8.240 nan 0.000 0.455 1188 L N -0.493 120.570 121.223 -0.267 0.000 2.083 1188 L HA -0.094 4.247 4.340 0.002 0.000 0.209 1188 L C 2.323 179.239 176.870 0.076 0.000 1.083 1188 L CA 1.624 56.367 54.840 -0.162 0.000 0.752 1188 L CB -0.644 41.301 42.059 -0.190 0.000 0.899 1188 L HN 0.436 nan 8.230 nan 0.000 0.433 1189 Y N -0.829 119.529 120.300 0.096 0.000 2.114 1189 Y HA -0.244 4.307 4.550 0.002 0.000 0.284 1189 Y C 2.660 178.591 175.900 0.052 0.000 1.143 1189 Y CA 0.657 58.792 58.100 0.058 0.000 1.135 1189 Y CB -0.547 37.902 38.460 -0.019 0.000 0.980 1189 Y HN -0.119 nan 8.280 nan 0.000 0.499 1190 V N 0.562 120.549 119.914 0.122 0.000 2.392 1190 V HA -0.312 3.809 4.120 0.002 0.000 0.249 1190 V C 2.256 178.438 176.094 0.147 0.000 1.059 1190 V CA 1.576 63.925 62.300 0.082 0.000 1.051 1190 V CB -0.686 31.065 31.823 -0.120 0.000 0.658 1190 V HN 0.420 nan 8.190 nan 0.000 0.455 1191 L N -0.695 120.604 121.223 0.126 0.000 2.005 1191 L HA -0.140 4.201 4.340 0.002 0.000 0.207 1191 L C 2.515 179.567 176.870 0.304 0.000 1.072 1191 L CA 1.371 56.340 54.840 0.216 0.000 0.744 1191 L CB -0.474 41.604 42.059 0.032 0.000 0.895 1191 L HN 0.188 nan 8.230 nan 0.000 0.433 1192 V N -0.791 119.236 119.914 0.189 0.000 2.332 1192 V HA -0.323 3.798 4.120 0.002 0.000 0.248 1192 V C 2.724 178.911 176.094 0.155 0.000 1.055 1192 V CA 1.966 64.360 62.300 0.156 0.000 1.038 1192 V CB -0.348 31.526 31.823 0.085 0.000 0.651 1192 V HN 0.522 nan 8.190 nan 0.000 0.450 1193 S N -0.173 115.631 115.700 0.173 0.000 2.365 1193 S HA -0.220 4.252 4.470 0.002 0.000 0.221 1193 S C 2.004 176.712 174.600 0.178 0.000 1.037 1193 S CA 2.268 60.564 58.200 0.160 0.000 1.060 1193 S CB -0.445 62.863 63.200 0.180 0.000 0.974 1193 S HN 0.290 nan 8.310 nan 0.000 0.427 1194 V N 2.138 122.172 119.914 0.201 0.000 2.546 1194 V HA -0.178 3.943 4.120 0.002 0.000 0.254 1194 V C 2.739 178.948 176.094 0.191 0.000 1.076 1194 V CA 1.797 64.212 62.300 0.193 0.000 1.087 1194 V CB -1.344 30.599 31.823 0.200 0.000 0.674 1194 V HN 0.662 nan 8.190 nan 0.000 0.470 1195 A N -0.950 122.007 122.820 0.228 0.000 1.898 1195 A HA -0.150 4.171 4.320 0.002 0.000 0.214 1195 A C 2.212 179.929 177.584 0.221 0.000 1.183 1195 A CA 1.360 53.522 52.037 0.209 0.000 0.622 1195 A CB -0.346 18.848 19.000 0.324 0.000 0.824 1195 A HN 0.550 nan 8.150 nan 0.000 0.444 1196 E N -0.376 119.957 120.200 0.221 0.000 2.208 1196 E HA -0.024 4.327 4.350 0.002 0.000 0.193 1196 E C 2.175 178.915 176.600 0.233 0.000 0.988 1196 E CA 0.662 57.213 56.400 0.252 0.000 0.828 1196 E CB -0.142 29.692 29.700 0.222 0.000 0.763 1196 E HN 0.600 nan 8.360 nan 0.000 0.478 1197 A N 0.819 123.749 122.820 0.183 0.000 1.929 1197 A HA -0.104 4.217 4.320 0.002 0.000 0.216 1197 A C 2.076 179.758 177.584 0.164 0.000 1.176 1197 A CA 0.735 52.862 52.037 0.149 0.000 0.628 1197 A CB -0.397 18.679 19.000 0.127 0.000 0.816 1197 A HN 0.157 nan 8.150 nan 0.000 0.444 1198 L N -0.869 120.459 121.223 0.175 0.000 2.141 1198 L HA -0.091 4.250 4.340 0.002 0.000 0.209 1198 L C 2.529 179.492 176.870 0.154 0.000 1.094 1198 L CA 0.870 55.810 54.840 0.166 0.000 0.763 1198 L CB -0.337 41.813 42.059 0.150 0.000 0.908 1198 L HN 0.472 nan 8.230 nan 0.000 0.437 1199 L N -0.386 120.965 121.223 0.212 0.000 2.072 1199 L HA -0.173 4.169 4.340 0.002 0.000 0.205 1199 L C 2.812 179.885 176.870 0.337 0.000 1.079 1199 L CA 1.399 56.390 54.840 0.252 0.000 0.752 1199 L CB -0.109 42.155 42.059 0.341 0.000 0.906 1199 L HN 0.354 nan 8.230 nan 0.000 0.436 1200 S N -2.222 113.707 115.700 0.381 0.000 2.465 1200 S HA -0.181 4.290 4.470 0.002 0.000 0.241 1200 S C 1.813 176.584 174.600 0.285 0.000 1.000 1200 S CA 1.362 59.825 58.200 0.438 0.000 0.964 1200 S CB -0.314 63.031 63.200 0.240 0.000 0.763 1200 S HN 0.433 nan 8.310 nan 0.000 0.512 1201 S N -0.465 115.335 115.700 0.166 0.000 2.539 1201 S HA 0.464 4.936 4.470 0.002 0.000 0.221 1201 S C 1.271 175.836 174.600 -0.059 0.000 0.987 1201 S CA 0.518 58.743 58.200 0.042 0.000 0.929 1201 S CB -0.608 62.657 63.200 0.107 0.000 0.832 1201 S HN 1.343 nan 8.310 nan 0.000 0.492 1202 G N 1.463 110.293 108.800 0.051 0.000 2.159 1202 G HA2 -0.190 3.772 3.960 0.002 0.000 0.256 1202 G HA3 -0.190 3.772 3.960 0.002 0.000 0.256 1202 G C -0.016 174.880 174.900 -0.006 0.000 0.977 1202 G CA 0.240 45.408 45.100 0.114 0.000 0.652 1202 G HN 0.500 nan 8.290 nan 0.000 0.531 1203 I N 1.727 122.259 120.570 -0.063 0.000 2.352 1203 I HA 0.313 4.484 4.170 0.002 0.000 0.290 1203 I C 1.403 177.423 176.117 -0.161 0.000 1.036 1203 I CA 0.264 61.453 61.300 -0.185 0.000 1.336 1203 I CB 0.639 38.471 38.000 -0.280 0.000 1.407 1203 I HN 0.008 nan 8.210 nan 0.000 0.497 1204 T N 3.191 117.590 114.554 -0.258 0.000 2.904 1204 T HA -0.029 4.322 4.350 0.002 0.000 0.243 1204 T C 0.516 174.985 174.700 -0.385 0.000 1.024 1204 T CA 0.799 62.627 62.100 -0.453 0.000 1.158 1204 T CB 0.094 68.578 68.868 -0.639 0.000 0.867 1204 T HN 0.579 nan 8.240 nan 0.000 0.429 1205 D N 1.392 121.607 120.400 -0.308 0.000 2.280 1205 D HA 0.243 4.884 4.640 0.002 0.000 0.236 1205 D C -2.067 174.111 176.300 -0.202 0.000 1.082 1205 D CA -2.527 51.322 54.000 -0.251 0.000 0.834 1205 D CB 1.911 42.594 40.800 -0.194 0.000 1.100 1205 D HN -0.012 nan 8.370 nan 0.000 0.486 1206 P HA -0.086 nan 4.420 nan 0.000 0.230 1206 P C 0.831 178.169 177.300 0.062 0.000 1.158 1206 P CA 0.573 63.671 63.100 -0.003 0.000 0.769 1206 P CB 0.052 31.803 31.700 0.086 0.000 0.807 1207 Y N 0.451 120.704 120.300 -0.077 0.000 2.421 1207 Y HA -0.115 4.436 4.550 0.002 0.000 0.292 1207 Y C 2.352 178.159 175.900 -0.155 0.000 1.136 1207 Y CA 0.045 58.112 58.100 -0.054 0.000 1.255 1207 Y CB -1.163 37.343 38.460 0.076 0.000 0.991 1207 Y HN 0.168 nan 8.280 nan 0.000 0.552 1208 E N -0.062 120.110 120.200 -0.047 0.000 2.130 1208 E HA -0.253 4.099 4.350 0.002 0.000 0.196 1208 E C 1.791 178.337 176.600 -0.091 0.000 0.998 1208 E CA 1.315 57.646 56.400 -0.115 0.000 0.806 1208 E CB -0.457 29.129 29.700 -0.190 0.000 0.738 1208 E HN 0.451 nan 8.360 nan 0.000 0.459 1209 F N -0.483 119.393 119.950 -0.124 0.000 2.184 1209 F HA -0.235 4.293 4.527 0.002 0.000 0.301 1209 F C 1.160 176.910 175.800 -0.082 0.000 1.076 1209 F CA 0.780 58.696 58.000 -0.141 0.000 1.295 1209 F CB -0.118 38.653 39.000 -0.381 0.000 1.026 1209 F HN 0.154 nan 8.300 nan 0.000 0.494 1210 Y N -0.046 120.392 120.300 0.230 0.000 2.596 1210 Y HA 0.137 4.688 4.550 0.002 0.000 0.316 1210 Y C 1.384 177.221 175.900 -0.106 0.000 1.156 1210 Y CA -0.630 57.505 58.100 0.059 0.000 1.300 1210 Y CB -1.031 37.413 38.460 -0.027 0.000 1.130 1210 Y HN 0.027 nan 8.280 nan 0.000 0.518 1211 K N -1.255 119.122 120.400 -0.038 0.000 2.244 1211 K HA 0.061 4.382 4.320 0.002 0.000 0.200 1211 K C 0.506 176.921 176.600 -0.308 0.000 1.052 1211 K CA 0.743 56.851 56.287 -0.298 0.000 0.980 1211 K CB 0.163 32.312 32.500 -0.585 0.000 0.838 1211 K HN 0.316 nan 8.250 nan 0.000 0.481 1212 Y N -0.393 119.961 120.300 0.091 0.000 2.481 1212 Y HA 0.202 4.754 4.550 0.002 0.000 0.258 1212 Y C 0.436 176.420 175.900 0.140 0.000 1.103 1212 Y CA -0.328 57.833 58.100 0.102 0.000 1.287 1212 Y CB 1.027 39.546 38.460 0.099 0.000 1.108 1212 Y HN -0.295 nan 8.280 nan 0.000 0.529 1213 V N -0.944 119.162 119.914 0.320 0.000 3.087 1213 V HA 0.202 4.324 4.120 0.002 0.000 0.306 1213 V C -1.226 175.093 176.094 0.375 0.000 1.187 1213 V CA -1.380 61.109 62.300 0.316 0.000 0.999 1213 V CB 2.272 34.280 31.823 0.308 0.000 1.049 1213 V HN 0.082 nan 8.190 nan 0.000 0.431 1214 H N 1.837 121.023 119.070 0.193 0.000 2.615 1214 H HA 0.413 4.970 4.556 0.002 0.000 0.363 1214 H C 0.998 176.390 175.328 0.108 0.000 1.148 1214 H CA 0.136 56.262 56.048 0.130 0.000 1.401 1214 H CB 0.941 30.728 29.762 0.041 0.000 1.461 1214 H HN 0.542 nan 8.280 nan 0.000 0.588 1215 L N 1.838 122.593 121.223 -0.779 0.000 2.103 1215 L HA -0.262 4.079 4.340 0.002 0.000 0.215 1215 L C 1.849 178.484 176.870 -0.392 0.000 1.080 1215 L CA 1.964 56.351 54.840 -0.756 0.000 0.764 1215 L CB -0.691 40.724 42.059 -1.074 0.000 0.890 1215 L HN 0.655 nan 8.230 nan 0.000 0.435 1216 S N -1.986 113.495 115.700 -0.365 0.000 2.743 1216 S HA 0.053 4.524 4.470 0.002 0.000 0.230 1216 S C 1.014 175.624 174.600 0.016 0.000 0.950 1216 S CA -0.038 58.105 58.200 -0.095 0.000 0.976 1216 S CB 0.107 63.324 63.200 0.029 0.000 0.779 1216 S HN 0.471 nan 8.310 nan 0.000 0.487 1217 E N 0.142 120.370 120.200 0.047 0.000 2.641 1217 E HA 0.200 4.551 4.350 0.002 0.000 0.224 1217 E C -0.899 175.708 176.600 0.012 0.000 0.951 1217 E CA -0.053 56.380 56.400 0.054 0.000 1.102 1217 E CB 1.325 31.083 29.700 0.097 0.000 1.091 1217 E HN 0.338 nan 8.360 nan 0.000 0.507 1218 V N 1.541 121.465 119.914 0.017 0.000 2.385 1218 V HA 0.455 4.577 4.120 0.002 0.000 0.269 1218 V C 0.597 176.665 176.094 -0.043 0.000 1.043 1218 V CA -0.478 61.770 62.300 -0.087 0.000 0.906 1218 V CB 0.997 32.760 31.823 -0.101 0.000 0.995 1218 V HN 0.126 nan 8.190 nan 0.000 0.467 1219 G N 2.933 111.699 108.800 -0.057 0.000 2.471 1219 G HA2 0.501 4.463 3.960 0.002 0.000 0.332 1219 G HA3 0.501 4.463 3.960 0.002 0.000 0.332 1219 G C -0.752 174.148 174.900 -0.001 0.000 1.176 1219 G CA -0.576 44.514 45.100 -0.017 0.000 0.949 1219 G HN 0.538 nan 8.290 nan 0.000 0.488 1220 N N -0.243 118.472 118.700 0.025 0.000 2.577 1220 N HA 0.239 4.980 4.740 0.002 0.000 0.275 1220 N C -0.776 174.772 175.510 0.063 0.000 1.091 1220 N CA -0.468 52.613 53.050 0.052 0.000 0.843 1220 N CB 1.335 39.863 38.487 0.068 0.000 1.295 1220 N HN 0.274 nan 8.380 nan 0.000 0.530 1221 C N 4.335 123.677 119.300 0.069 0.000 2.660 1221 C HA 0.477 4.938 4.460 0.002 0.000 0.265 1221 C C 0.666 175.706 174.990 0.084 0.000 1.573 1221 C CA -0.703 58.356 59.018 0.067 0.000 1.751 1221 C CB -1.716 26.055 27.740 0.052 0.000 3.033 1221 C HN 0.567 nan 8.230 nan 0.000 0.511 1222 I N 1.454 122.099 120.570 0.125 0.000 2.428 1222 I HA 0.557 4.728 4.170 0.002 0.000 0.289 1222 I C 0.943 177.144 176.117 0.139 0.000 1.019 1222 I CA 0.548 61.947 61.300 0.165 0.000 1.351 1222 I CB 0.931 39.095 38.000 0.273 0.000 1.412 1222 I HN 0.444 nan 8.210 nan 0.000 0.513 1223 G N 3.341 112.136 108.800 -0.009 0.000 3.176 1223 G HA2 0.807 4.768 3.960 0.002 0.000 0.272 1223 G HA3 0.807 4.768 3.960 0.002 0.000 0.272 1223 G C -1.075 173.455 174.900 -0.616 0.000 1.349 1223 G CA -0.291 44.707 45.100 -0.170 0.000 0.953 1223 G HN 0.735 nan 8.290 nan 0.000 0.559 1224 S N -3.172 112.228 115.700 -0.501 0.000 2.645 1224 S HA 0.530 5.001 4.470 0.002 0.000 0.268 1224 S C 0.850 175.307 174.600 -0.238 0.000 1.110 1224 S CA 0.622 58.470 58.200 -0.586 0.000 0.823 1224 S CB 0.832 63.321 63.200 -1.186 0.000 1.091 1224 S HN 1.671 nan 8.310 nan 0.000 0.466 1225 G N 0.099 108.810 108.800 -0.148 0.000 2.395 1225 G HA2 0.368 4.330 3.960 0.002 0.000 0.214 1225 G HA3 0.368 4.330 3.960 0.002 0.000 0.214 1225 G C 0.426 175.298 174.900 -0.047 0.000 1.177 1225 G CA 0.984 46.047 45.100 -0.062 0.000 0.794 1225 G HN 1.835 nan 8.290 nan 0.000 0.532 1226 V N -1.750 118.149 119.914 -0.026 0.000 2.841 1226 V HA 0.678 4.799 4.120 0.002 0.000 0.258 1226 V C -0.019 176.117 176.094 0.070 0.000 0.973 1226 V CA -0.696 61.603 62.300 -0.001 0.000 0.921 1226 V CB 0.559 32.355 31.823 -0.046 0.000 1.053 1226 V HN 0.394 nan 8.190 nan 0.000 0.498 1227 G N 1.275 110.165 108.800 0.151 0.000 2.412 1227 G HA2 0.673 4.635 3.960 0.002 0.000 0.318 1227 G HA3 0.673 4.635 3.960 0.002 0.000 0.318 1227 G C 0.871 175.909 174.900 0.229 0.000 1.146 1227 G CA -0.201 45.099 45.100 0.333 0.000 0.882 1227 G HN 2.263 nan 8.290 nan 0.000 0.501 1228 G N 0.125 109.040 108.800 0.192 0.000 2.165 1228 G HA2 -0.219 3.742 3.960 0.002 0.000 0.226 1228 G HA3 -0.219 3.742 3.960 0.002 0.000 0.226 1228 G C 0.963 175.901 174.900 0.065 0.000 1.035 1228 G CA 0.703 45.867 45.100 0.108 0.000 0.744 1228 G HN 1.031 nan 8.290 nan 0.000 0.501 1229 T N 0.246 114.842 114.554 0.069 0.000 2.881 1229 T HA -0.060 4.291 4.350 0.002 0.000 0.270 1229 T C 2.586 177.294 174.700 0.015 0.000 1.068 1229 T CA 1.874 63.990 62.100 0.025 0.000 1.131 1229 T CB -0.119 68.766 68.868 0.027 0.000 0.871 1229 T HN 0.478 nan 8.240 nan 0.000 0.479 1230 S N 1.817 117.536 115.700 0.031 0.000 2.357 1230 S HA 0.059 4.531 4.470 0.002 0.000 0.221 1230 S C 2.684 177.298 174.600 0.023 0.000 1.031 1230 S CA 0.822 59.036 58.200 0.024 0.000 0.982 1230 S CB -0.653 62.562 63.200 0.025 0.000 0.853 1230 S HN 0.610 nan 8.310 nan 0.000 0.458 1231 A N 1.699 124.535 122.820 0.026 0.000 1.933 1231 A HA -0.003 4.318 4.320 0.002 0.000 0.218 1231 A C 2.110 179.717 177.584 0.038 0.000 1.175 1231 A CA 1.008 53.061 52.037 0.027 0.000 0.628 1231 A CB -0.765 18.254 19.000 0.031 0.000 0.814 1231 A HN 0.415 nan 8.150 nan 0.000 0.444 1232 L N -0.693 120.557 121.223 0.045 0.000 1.989 1232 L HA -0.221 4.121 4.340 0.002 0.000 0.211 1232 L C 2.899 179.858 176.870 0.148 0.000 1.071 1232 L CA 2.175 57.074 54.840 0.098 0.000 0.749 1232 L CB -0.576 41.489 42.059 0.010 0.000 0.890 1232 L HN 0.591 nan 8.230 nan 0.000 0.431 1233 R N 0.313 120.846 120.500 0.056 0.000 2.091 1233 R HA -0.158 4.184 4.340 0.002 0.000 0.238 1233 R C 2.067 178.404 176.300 0.062 0.000 1.136 1233 R CA 1.663 57.789 56.100 0.044 0.000 0.959 1233 R CB -0.605 29.692 30.300 -0.004 0.000 0.856 1233 R HN 0.383 nan 8.270 nan 0.000 0.437 1234 G N 1.453 110.279 108.800 0.043 0.000 2.462 1234 G HA2 -0.281 3.681 3.960 0.002 0.000 0.220 1234 G HA3 -0.281 3.681 3.960 0.002 0.000 0.220 1234 G C 1.502 176.410 174.900 0.012 0.000 1.121 1234 G CA 1.083 46.199 45.100 0.026 0.000 0.758 1234 G HN 0.583 nan 8.290 nan 0.000 0.559 1235 M N -2.925 116.679 119.600 0.006 0.000 2.571 1235 M HA 0.406 4.887 4.480 0.002 0.000 0.259 1235 M C 1.767 177.954 176.300 -0.188 0.000 1.205 1235 M CA 0.352 55.589 55.300 -0.104 0.000 1.138 1235 M CB 0.358 32.850 32.600 -0.180 0.000 1.329 1235 M HN 0.029 nan 8.290 nan 0.000 0.503 1236 Y N 1.103 121.375 120.300 -0.046 0.000 2.510 1236 Y HA 0.278 4.829 4.550 0.002 0.000 0.273 1236 Y C 2.363 178.232 175.900 -0.053 0.000 1.119 1236 Y CA 0.777 58.837 58.100 -0.067 0.000 1.286 1236 Y CB 0.454 38.862 38.460 -0.088 0.000 1.061 1236 Y HN 0.321 nan 8.280 nan 0.000 0.542 1237 K N -0.677 119.791 120.400 0.114 0.000 2.638 1237 K HA 0.033 4.355 4.320 0.002 0.000 0.207 1237 K C 0.939 177.605 176.600 0.110 0.000 1.429 1237 K CA 0.552 56.904 56.287 0.109 0.000 0.957 1237 K CB -0.074 32.463 32.500 0.063 0.000 1.733 1237 K HN -0.191 nan 8.250 nan 0.000 0.474 1238 D N 1.217 121.655 120.400 0.063 0.000 2.271 1238 D HA -0.162 4.479 4.640 0.002 0.000 0.207 1238 D C 1.806 178.126 176.300 0.035 0.000 0.983 1238 D CA 1.057 55.081 54.000 0.040 0.000 0.878 1238 D CB 0.095 40.909 40.800 0.023 0.000 0.920 1238 D HN 0.256 nan 8.370 nan 0.000 0.479 1239 R N -1.083 119.444 120.500 0.045 0.000 2.112 1239 R HA -0.086 4.255 4.340 0.002 0.000 0.216 1239 R C 2.126 178.464 176.300 0.065 0.000 1.080 1239 R CA 0.365 56.482 56.100 0.028 0.000 0.996 1239 R CB -0.407 29.891 30.300 -0.004 0.000 0.902 1239 R HN 0.090 nan 8.270 nan 0.000 0.449 1240 Y N 0.990 121.263 120.300 -0.045 0.000 2.274 1240 Y HA -0.075 4.476 4.550 0.002 0.000 0.290 1240 Y C 1.280 177.160 175.900 -0.034 0.000 1.145 1240 Y CA 1.433 59.508 58.100 -0.042 0.000 1.203 1240 Y CB 0.053 38.494 38.460 -0.031 0.000 0.984 1240 Y HN 0.075 nan 8.280 nan 0.000 0.533 1241 L N -0.220 120.975 121.223 -0.046 0.000 2.591 1241 L HA 0.018 4.359 4.340 0.002 0.000 0.228 1241 L C 0.621 177.431 176.870 -0.100 0.000 1.133 1241 L CA 0.962 55.726 54.840 -0.127 0.000 0.880 1241 L CB -0.255 41.781 42.059 -0.038 0.000 1.033 1241 L HN 0.084 nan 8.230 nan 0.000 0.450 1242 D N 0.562 120.918 120.400 -0.074 0.000 3.041 1242 D HA -0.176 4.466 4.640 0.002 0.000 0.220 1242 D C 0.287 176.564 176.300 -0.038 0.000 1.157 1242 D CA 0.857 54.820 54.000 -0.061 0.000 0.876 1242 D CB -0.534 40.215 40.800 -0.085 0.000 1.107 1242 D HN 0.274 nan 8.370 nan 0.000 0.422 1243 K N 0.409 120.794 120.400 -0.025 0.000 2.258 1243 K HA 0.371 4.692 4.320 0.002 0.000 0.264 1243 K C -2.325 174.269 176.600 -0.011 0.000 1.007 1243 K CA -1.320 54.959 56.287 -0.015 0.000 0.941 1243 K CB 0.294 32.790 32.500 -0.006 0.000 0.966 1243 K HN 0.036 nan 8.250 nan 0.000 0.480 1244 P HA 0.044 nan 4.420 nan 0.000 0.265 1244 P C -1.078 176.220 177.300 -0.004 0.000 1.222 1244 P CA -0.022 63.074 63.100 -0.007 0.000 0.767 1244 P CB 0.525 32.221 31.700 -0.006 0.000 0.801 1245 V N 3.944 123.855 119.914 -0.004 0.000 2.971 1245 V HA 0.204 4.325 4.120 0.002 0.000 0.309 1245 V C 0.274 176.368 176.094 0.000 0.000 1.130 1245 V CA -0.931 61.368 62.300 -0.002 0.000 0.964 1245 V CB 2.112 33.933 31.823 -0.002 0.000 1.029 1245 V HN 0.450 nan 8.190 nan 0.000 0.427 1246 Q N 1.894 121.697 119.800 0.005 0.000 2.539 1246 Q HA 0.058 4.399 4.340 0.002 0.000 0.268 1246 Q C 0.537 176.544 176.000 0.013 0.000 1.109 1246 Q CA 0.243 56.054 55.803 0.013 0.000 0.968 1246 Q CB 0.990 29.741 28.738 0.022 0.000 1.309 1246 Q HN 0.537 nan 8.270 nan 0.000 0.497 1247 K N 0.540 120.952 120.400 0.019 0.000 2.243 1247 K HA -0.094 4.228 4.320 0.002 0.000 0.201 1247 K C 0.480 177.097 176.600 0.028 0.000 1.051 1247 K CA 1.181 57.478 56.287 0.018 0.000 0.970 1247 K CB 0.300 32.811 32.500 0.018 0.000 0.755 1247 K HN 0.606 nan 8.250 nan 0.000 0.465 1248 D N -0.037 120.391 120.400 0.046 0.000 2.388 1248 D HA 0.004 4.645 4.640 0.002 0.000 0.221 1248 D C 1.130 177.477 176.300 0.079 0.000 1.133 1248 D CA -0.101 53.941 54.000 0.070 0.000 0.831 1248 D CB -0.396 40.460 40.800 0.093 0.000 0.962 1248 D HN 0.155 nan 8.370 nan 0.000 0.502 1249 I N -0.695 119.904 120.570 0.048 0.000 2.315 1249 I HA -0.255 3.916 4.170 0.002 0.000 0.251 1249 I C 2.136 178.275 176.117 0.036 0.000 1.125 1249 I CA 0.593 61.917 61.300 0.040 0.000 1.392 1249 I CB -0.473 37.534 38.000 0.011 0.000 1.065 1249 I HN 0.051 nan 8.210 nan 0.000 0.424 1250 L N 0.831 122.070 121.223 0.026 0.000 2.013 1250 L HA -0.278 4.063 4.340 0.002 0.000 0.212 1250 L C 2.623 179.553 176.870 0.099 0.000 1.073 1250 L CA 1.928 56.769 54.840 0.002 0.000 0.753 1250 L CB -0.926 41.160 42.059 0.046 0.000 0.890 1250 L HN 0.325 nan 8.230 nan 0.000 0.432 1251 Q N -0.541 119.400 119.800 0.233 0.000 2.012 1251 Q HA -0.256 4.085 4.340 0.002 0.000 0.211 1251 Q C 1.659 177.870 176.000 0.352 0.000 1.009 1251 Q CA 2.263 58.273 55.803 0.345 0.000 0.866 1251 Q CB -0.308 28.571 28.738 0.236 0.000 0.945 1251 Q HN 0.556 nan 8.270 nan 0.000 0.414 1252 E N -0.056 120.285 120.200 0.236 0.000 2.526 1252 E HA -0.059 4.292 4.350 0.002 0.000 0.198 1252 E C 1.532 178.218 176.600 0.144 0.000 1.091 1252 E CA 0.764 57.300 56.400 0.228 0.000 0.880 1252 E CB 0.105 29.914 29.700 0.181 0.000 0.873 1252 E HN 0.350 nan 8.360 nan 0.000 0.527 1253 S N -0.547 115.181 115.700 0.046 0.000 2.517 1253 S HA 0.079 4.550 4.470 0.002 0.000 0.214 1253 S C 0.558 175.118 174.600 -0.067 0.000 0.991 1253 S CA -0.491 57.677 58.200 -0.052 0.000 0.906 1253 S CB -0.255 62.849 63.200 -0.160 0.000 0.789 1253 S HN -0.035 nan 8.310 nan 0.000 0.513 1254 F N 1.936 121.955 119.950 0.115 0.000 2.443 1254 F HA 0.314 4.842 4.527 0.002 0.000 0.353 1254 F C 1.567 177.455 175.800 0.147 0.000 1.101 1254 F CA -0.642 57.422 58.000 0.108 0.000 1.226 1254 F CB 0.861 39.910 39.000 0.082 0.000 1.140 1254 F HN -0.161 nan 8.300 nan 0.000 0.557 1255 V N 2.230 122.342 119.914 0.330 0.000 2.490 1255 V HA -0.300 3.821 4.120 0.002 0.000 0.250 1255 V C 1.948 178.241 176.094 0.332 0.000 1.061 1255 V CA 2.055 64.533 62.300 0.297 0.000 1.064 1255 V CB -0.675 31.250 31.823 0.171 0.000 0.670 1255 V HN 0.871 nan 8.190 nan 0.000 0.461 1256 N N -0.715 118.143 118.700 0.264 0.000 2.322 1256 N HA -0.048 4.693 4.740 0.002 0.000 0.194 1256 N C 1.192 176.804 175.510 0.170 0.000 1.126 1256 N CA 0.828 53.995 53.050 0.194 0.000 0.845 1256 N CB 0.209 38.756 38.487 0.101 0.000 0.976 1256 N HN 0.403 nan 8.380 nan 0.000 0.475 1257 T N 1.026 115.717 114.554 0.229 0.000 2.942 1257 T HA 0.045 4.396 4.350 0.002 0.000 0.265 1257 T C 1.794 176.641 174.700 0.245 0.000 1.062 1257 T CA 0.706 62.912 62.100 0.177 0.000 1.139 1257 T CB 0.012 69.042 68.868 0.270 0.000 0.883 1257 T HN 0.057 nan 8.240 nan 0.000 0.468 1258 M N 1.990 121.756 119.600 0.276 0.000 2.084 1258 M HA 0.002 4.483 4.480 0.002 0.000 0.259 1258 M C 2.738 179.179 176.300 0.235 0.000 1.072 1258 M CA 1.815 57.243 55.300 0.213 0.000 1.107 1258 M CB -1.184 31.418 32.600 0.003 0.000 1.299 1258 M HN 0.278 nan 8.290 nan 0.000 0.413 1259 A N -0.076 122.885 122.820 0.236 0.000 1.927 1259 A HA -0.152 4.169 4.320 0.002 0.000 0.220 1259 A C 2.427 180.096 177.584 0.141 0.000 1.185 1259 A CA 2.568 54.719 52.037 0.191 0.000 0.639 1259 A CB -1.415 17.686 19.000 0.168 0.000 0.820 1259 A HN 0.545 nan 8.150 nan 0.000 0.451 1260 A N -1.493 121.375 122.820 0.080 0.000 1.865 1260 A HA -0.206 4.115 4.320 0.002 0.000 0.217 1260 A C 2.023 179.600 177.584 -0.012 0.000 1.191 1260 A CA 1.483 53.498 52.037 -0.037 0.000 0.623 1260 A CB -1.080 17.811 19.000 -0.182 0.000 0.826 1260 A HN 0.766 nan 8.150 nan 0.000 0.444 1261 W N -0.375 120.978 121.300 0.089 0.000 2.350 1261 W HA -0.134 4.527 4.660 0.002 0.000 0.289 1261 W C 2.246 178.839 176.519 0.123 0.000 1.215 1261 W CA 1.094 58.495 57.345 0.093 0.000 1.236 1261 W CB -0.270 29.232 29.460 0.070 0.000 1.130 1261 W HN 0.159 nan 8.180 nan 0.000 0.541 1262 V N 0.098 120.216 119.914 0.341 0.000 2.343 1262 V HA -0.338 3.783 4.120 0.002 0.000 0.247 1262 V C 1.733 177.960 176.094 0.222 0.000 1.051 1262 V CA 2.328 64.792 62.300 0.273 0.000 1.036 1262 V CB -0.913 31.041 31.823 0.218 0.000 0.654 1262 V HN 0.239 nan 8.190 nan 0.000 0.451 1263 N N -0.654 118.152 118.700 0.177 0.000 2.354 1263 N HA -0.018 4.723 4.740 0.002 0.000 0.179 1263 N C 1.651 177.254 175.510 0.155 0.000 1.021 1263 N CA 0.813 53.953 53.050 0.149 0.000 0.887 1263 N CB -0.068 38.482 38.487 0.104 0.000 0.974 1263 N HN 0.418 nan 8.380 nan 0.000 0.437 1264 M N -0.669 119.024 119.600 0.155 0.000 2.595 1264 M HA 0.096 4.578 4.480 0.002 0.000 0.248 1264 M C 0.855 177.298 176.300 0.238 0.000 1.119 1264 M CA 0.675 56.064 55.300 0.149 0.000 1.079 1264 M CB 0.421 33.040 32.600 0.033 0.000 1.472 1264 M HN 0.156 nan 8.290 nan 0.000 0.501 1265 L N -1.531 119.856 121.223 0.273 0.000 2.717 1265 L HA 0.220 4.561 4.340 0.002 0.000 0.239 1265 L C 1.415 178.364 176.870 0.132 0.000 1.086 1265 L CA 0.093 55.095 54.840 0.269 0.000 0.897 1265 L CB 0.486 42.794 42.059 0.415 0.000 1.214 1265 L HN 0.262 nan 8.230 nan 0.000 0.508 1266 L N -1.246 120.046 121.223 0.115 0.000 3.147 1266 L HA 0.240 4.581 4.340 0.002 0.000 0.166 1266 L C 0.038 176.973 176.870 0.108 0.000 1.146 1266 L CA -0.293 54.557 54.840 0.016 0.000 0.858 1266 L CB 0.198 42.252 42.059 -0.009 0.000 1.500 1266 L HN -0.104 nan 8.230 nan 0.000 0.547 1267 L N 1.685 123.017 121.223 0.182 0.000 2.295 1267 L HA 0.230 4.571 4.340 0.002 0.000 0.288 1267 L C 0.294 177.365 176.870 0.336 0.000 1.079 1267 L CA -0.237 54.775 54.840 0.287 0.000 0.830 1267 L CB 0.672 42.851 42.059 0.200 0.000 1.200 1267 L HN 0.213 nan 8.230 nan 0.000 0.438 1268 S N 0.191 116.180 115.700 0.482 0.000 3.324 1268 S HA 0.154 4.625 4.470 0.002 0.000 0.229 1268 S C 0.510 175.238 174.600 0.213 0.000 1.417 1268 S CA -0.742 57.653 58.200 0.324 0.000 1.211 1268 S CB -0.433 62.946 63.200 0.300 0.000 1.157 1268 S HN 0.686 nan 8.310 nan 0.000 0.491 1269 S N 0.964 116.788 115.700 0.207 0.000 2.562 1269 S HA 0.374 4.845 4.470 0.002 0.000 0.275 1269 S C 0.778 175.352 174.600 -0.043 0.000 1.281 1269 S CA -0.195 58.053 58.200 0.081 0.000 1.045 1269 S CB 1.121 64.427 63.200 0.177 0.000 0.962 1269 S HN 0.551 nan 8.310 nan 0.000 0.503 1270 T N 0.661 115.093 114.554 -0.204 0.000 3.273 1270 T HA 0.395 4.747 4.350 0.002 0.000 0.254 1270 T C 0.915 175.551 174.700 -0.107 0.000 1.002 1270 T CA -0.172 61.813 62.100 -0.192 0.000 0.913 1270 T CB -0.843 67.773 68.868 -0.420 0.000 1.056 1270 T HN 0.843 nan 8.240 nan 0.000 0.576 1271 G N 2.265 111.033 108.800 -0.055 0.000 2.583 1271 G HA2 0.497 4.459 3.960 0.002 0.000 0.275 1271 G HA3 0.497 4.459 3.960 0.002 0.000 0.275 1271 G C -2.493 172.402 174.900 -0.009 0.000 1.342 1271 G CA -1.224 43.863 45.100 -0.022 0.000 1.030 1271 G HN 0.342 nan 8.290 nan 0.000 0.520 1272 P HA 0.434 nan 4.420 nan 0.000 0.276 1272 P C -0.573 176.735 177.300 0.013 0.000 1.261 1272 P CA -0.321 62.781 63.100 0.004 0.000 0.800 1272 P CB 0.828 32.530 31.700 0.003 0.000 1.066 1273 I N -0.958 119.621 120.570 0.015 0.000 2.649 1273 I HA 0.341 4.513 4.170 0.002 0.000 0.275 1273 I C -0.433 175.699 176.117 0.024 0.000 1.180 1273 I CA -0.458 60.857 61.300 0.025 0.000 1.049 1273 I CB 1.117 39.131 38.000 0.024 0.000 1.234 1273 I HN -0.043 nan 8.210 nan 0.000 0.506 1274 K N 3.772 124.188 120.400 0.027 0.000 2.281 1274 K HA 0.530 4.851 4.320 0.002 0.000 0.272 1274 K C -0.160 176.461 176.600 0.036 0.000 1.048 1274 K CA -0.331 55.971 56.287 0.026 0.000 0.898 1274 K CB 1.333 33.846 32.500 0.021 0.000 1.128 1274 K HN 0.601 nan 8.250 nan 0.000 0.460 1275 T N 1.353 115.930 114.554 0.039 0.000 2.786 1275 T HA 0.572 4.923 4.350 0.002 0.000 0.283 1275 T C -2.483 172.235 174.700 0.031 0.000 0.992 1275 T CA -2.083 60.046 62.100 0.048 0.000 0.954 1275 T CB 1.373 70.287 68.868 0.076 0.000 0.934 1275 T HN 0.187 nan 8.240 nan 0.000 0.440 1276 P HA 0.609 nan 4.420 nan 0.000 0.296 1276 P C -1.127 176.158 177.300 -0.025 0.000 1.310 1276 P CA -0.926 62.172 63.100 -0.004 0.000 0.900 1276 P CB 1.618 33.312 31.700 -0.010 0.000 1.111 1277 V N 2.009 121.914 119.914 -0.015 0.000 2.276 1277 V HA 0.459 4.581 4.120 0.002 0.000 0.268 1277 V C 0.989 177.077 176.094 -0.011 0.000 1.032 1277 V CA -0.189 62.097 62.300 -0.022 0.000 0.810 1277 V CB 0.873 32.693 31.823 -0.004 0.000 1.060 1277 V HN 0.864 nan 8.190 nan 0.000 0.446 1278 G N 2.568 111.357 108.800 -0.019 0.000 3.936 1278 G HA2 0.559 4.520 3.960 0.002 0.000 0.296 1278 G HA3 0.559 4.520 3.960 0.002 0.000 0.296 1278 G C 0.803 175.719 174.900 0.025 0.000 1.121 1278 G CA 0.636 45.735 45.100 -0.002 0.000 0.899 1278 G HN 1.085 nan 8.290 nan 0.000 0.542 1279 A N -0.401 122.439 122.820 0.033 0.000 5.568 1279 A HA -0.359 3.962 4.320 0.002 0.000 0.322 1279 A C 2.216 179.858 177.584 0.097 0.000 1.802 1279 A CA 1.425 53.507 52.037 0.075 0.000 0.727 1279 A CB -1.528 17.574 19.000 0.170 0.000 1.362 1279 A HN 0.990 nan 8.150 nan 0.000 0.396 1280 C N -0.434 118.987 119.300 0.202 0.000 2.400 1280 C HA 0.167 4.628 4.460 0.002 0.000 0.291 1280 C C 2.581 177.664 174.990 0.154 0.000 1.372 1280 C CA 1.545 60.722 59.018 0.266 0.000 1.800 1280 C CB -2.045 25.971 27.740 0.461 0.000 1.869 1280 C HN 1.503 nan 8.230 nan 0.000 0.533 1281 A N 0.360 123.206 122.820 0.044 0.000 2.470 1281 A HA 0.172 4.494 4.320 0.002 0.000 0.251 1281 A C 1.966 179.520 177.584 -0.051 0.000 1.245 1281 A CA 0.893 52.900 52.037 -0.050 0.000 0.932 1281 A CB -0.553 18.369 19.000 -0.129 0.000 1.037 1281 A HN 0.589 nan 8.150 nan 0.000 0.522 1282 T N -1.630 112.902 114.554 -0.037 0.000 2.699 1282 T HA -0.210 4.141 4.350 0.002 0.000 0.268 1282 T C 1.917 176.584 174.700 -0.055 0.000 1.036 1282 T CA 1.963 64.029 62.100 -0.056 0.000 1.147 1282 T CB -0.659 68.154 68.868 -0.092 0.000 0.862 1282 T HN 0.668 nan 8.240 nan 0.000 0.446 1283 A N 0.791 123.578 122.820 -0.055 0.000 1.940 1283 A HA 0.046 4.367 4.320 0.002 0.000 0.219 1283 A C 2.650 180.221 177.584 -0.022 0.000 1.176 1283 A CA 1.856 53.873 52.037 -0.034 0.000 0.631 1283 A CB -0.994 17.986 19.000 -0.034 0.000 0.814 1283 A HN 0.489 nan 8.150 nan 0.000 0.446 1284 V N -0.349 119.540 119.914 -0.043 0.000 2.302 1284 V HA -0.202 3.919 4.120 0.002 0.000 0.243 1284 V C 2.449 178.513 176.094 -0.051 0.000 1.036 1284 V CA 1.883 64.151 62.300 -0.053 0.000 1.020 1284 V CB -0.735 31.032 31.823 -0.094 0.000 0.657 1284 V HN 0.779 nan 8.190 nan 0.000 0.453 1285 E N 0.247 120.413 120.200 -0.058 0.000 2.147 1285 E HA -0.316 4.036 4.350 0.002 0.000 0.199 1285 E C 2.336 178.928 176.600 -0.014 0.000 1.005 1285 E CA 1.771 58.146 56.400 -0.042 0.000 0.810 1285 E CB -0.172 29.503 29.700 -0.041 0.000 0.736 1285 E HN 0.536 nan 8.360 nan 0.000 0.460 1286 S N -0.111 115.583 115.700 -0.010 0.000 2.348 1286 S HA -0.169 4.302 4.470 0.002 0.000 0.221 1286 S C 1.997 176.615 174.600 0.031 0.000 1.033 1286 S CA 1.131 59.338 58.200 0.012 0.000 1.010 1286 S CB -0.376 62.831 63.200 0.013 0.000 0.891 1286 S HN 0.377 nan 8.310 nan 0.000 0.442 1287 L N 2.631 123.868 121.223 0.023 0.000 2.013 1287 L HA -0.138 4.203 4.340 0.002 0.000 0.212 1287 L C 2.228 179.133 176.870 0.058 0.000 1.073 1287 L CA 2.701 57.563 54.840 0.036 0.000 0.753 1287 L CB -1.081 40.982 42.059 0.006 0.000 0.890 1287 L HN 0.463 nan 8.230 nan 0.000 0.432 1288 D N -0.857 119.557 120.400 0.023 0.000 2.092 1288 D HA -0.189 4.452 4.640 0.002 0.000 0.193 1288 D C 2.067 178.443 176.300 0.128 0.000 0.994 1288 D CA 2.106 56.138 54.000 0.053 0.000 0.828 1288 D CB -0.092 40.709 40.800 0.002 0.000 0.963 1288 D HN 0.264 nan 8.370 nan 0.000 0.450 1289 V N 1.071 121.030 119.914 0.074 0.000 2.287 1289 V HA -0.206 3.916 4.120 0.002 0.000 0.248 1289 V C 2.724 178.863 176.094 0.076 0.000 1.053 1289 V CA 2.171 64.510 62.300 0.066 0.000 1.027 1289 V CB -1.090 30.757 31.823 0.040 0.000 0.646 1289 V HN 0.413 nan 8.190 nan 0.000 0.447 1290 G N -1.796 107.054 108.800 0.084 0.000 2.418 1290 G HA2 -0.331 3.630 3.960 0.002 0.000 0.217 1290 G HA3 -0.331 3.630 3.960 0.002 0.000 0.217 1290 G C 1.477 176.436 174.900 0.099 0.000 1.158 1290 G CA 1.114 46.260 45.100 0.077 0.000 0.771 1290 G HN 0.556 nan 8.290 nan 0.000 0.545 1291 Y N 2.026 122.333 120.300 0.012 0.000 2.030 1291 Y HA -0.224 4.328 4.550 0.002 0.000 0.274 1291 Y C 2.539 178.445 175.900 0.010 0.000 1.153 1291 Y CA 2.350 60.459 58.100 0.016 0.000 1.115 1291 Y CB -0.388 38.084 38.460 0.019 0.000 0.969 1291 Y HN 0.201 nan 8.280 nan 0.000 0.488 1292 D N -0.681 119.743 120.400 0.040 0.000 2.116 1292 D HA -0.193 4.448 4.640 0.002 0.000 0.193 1292 D C 2.219 178.459 176.300 -0.099 0.000 0.998 1292 D CA 2.180 56.135 54.000 -0.075 0.000 0.836 1292 D CB -0.805 40.018 40.800 0.038 0.000 0.951 1292 D HN 0.403 nan 8.370 nan 0.000 0.449 1293 T N 0.762 115.294 114.554 -0.036 0.000 2.699 1293 T HA -0.122 4.229 4.350 0.002 0.000 0.268 1293 T C 2.074 176.740 174.700 -0.057 0.000 1.036 1293 T CA 0.645 62.725 62.100 -0.033 0.000 1.147 1293 T CB -0.177 68.688 68.868 -0.005 0.000 0.862 1293 T HN 0.173 nan 8.240 nan 0.000 0.446 1294 I N 0.482 121.006 120.570 -0.076 0.000 2.353 1294 I HA -0.041 4.130 4.170 0.002 0.000 0.248 1294 I C 1.992 178.037 176.117 -0.120 0.000 1.119 1294 I CA 1.072 62.324 61.300 -0.080 0.000 1.417 1294 I CB -0.259 37.704 38.000 -0.062 0.000 1.078 1294 I HN 0.277 nan 8.210 nan 0.000 0.421 1295 M N 0.068 119.543 119.600 -0.209 0.000 2.691 1295 M HA -0.041 4.441 4.480 0.002 0.000 0.227 1295 M C 0.845 177.053 176.300 -0.153 0.000 1.120 1295 M CA 0.792 55.960 55.300 -0.219 0.000 1.034 1295 M CB -0.044 32.334 32.600 -0.371 0.000 1.675 1295 M HN 0.270 nan 8.290 nan 0.000 0.514 1296 Q N -0.619 119.114 119.800 -0.112 0.000 2.139 1296 Q HA 0.222 4.563 4.340 0.002 0.000 0.219 1296 Q C 1.108 177.073 176.000 -0.059 0.000 0.805 1296 Q CA 0.335 56.088 55.803 -0.083 0.000 1.024 1296 Q CB 1.469 30.165 28.738 -0.071 0.000 1.163 1296 Q HN 0.693 nan 8.270 nan 0.000 0.485 1297 G N 1.588 110.355 108.800 -0.055 0.000 2.199 1297 G HA2 -0.314 3.647 3.960 0.002 0.000 0.254 1297 G HA3 -0.314 3.647 3.960 0.002 0.000 0.254 1297 G C 1.150 176.037 174.900 -0.021 0.000 0.982 1297 G CA 0.597 45.676 45.100 -0.035 0.000 0.632 1297 G HN 0.217 nan 8.290 nan 0.000 0.529 1298 K N 0.305 120.690 120.400 -0.025 0.000 2.097 1298 K HA 0.298 4.619 4.320 0.002 0.000 0.206 1298 K C 1.245 177.842 176.600 -0.005 0.000 1.049 1298 K CA 1.640 57.919 56.287 -0.014 0.000 0.933 1298 K CB -0.107 32.383 32.500 -0.017 0.000 0.717 1298 K HN 1.307 nan 8.250 nan 0.000 0.442 1299 A N 0.004 122.818 122.820 -0.009 0.000 2.609 1299 A HA 0.563 4.884 4.320 0.002 0.000 0.291 1299 A C 0.100 177.682 177.584 -0.004 0.000 1.096 1299 A CA -0.697 51.338 52.037 -0.003 0.000 0.684 1299 A CB 1.386 20.378 19.000 -0.013 0.000 1.282 1299 A HN 0.032 nan 8.150 nan 0.000 0.412 1300 R N -0.489 120.015 120.500 0.006 0.000 2.257 1300 R HA 0.323 4.664 4.340 0.002 0.000 0.195 1300 R C 0.189 176.487 176.300 -0.004 0.000 0.921 1300 R CA 0.674 56.782 56.100 0.014 0.000 1.069 1300 R CB 0.934 31.263 30.300 0.048 0.000 1.115 1300 R HN 0.494 nan 8.270 nan 0.000 0.571 1301 V N -0.513 119.367 119.914 -0.058 0.000 3.019 1301 V HA 0.568 4.689 4.120 0.002 0.000 0.317 1301 V C -1.416 174.595 176.094 -0.137 0.000 1.094 1301 V CA -0.570 61.651 62.300 -0.131 0.000 1.000 1301 V CB 2.109 33.708 31.823 -0.374 0.000 1.060 1301 V HN 0.268 nan 8.190 nan 0.000 0.443 1302 C N 5.259 124.491 119.300 -0.114 0.000 3.135 1302 C HA 0.397 4.858 4.460 0.002 0.000 0.428 1302 C C -0.964 174.018 174.990 -0.013 0.000 0.972 1302 C CA -0.967 58.017 59.018 -0.057 0.000 1.218 1302 C CB 0.112 27.845 27.740 -0.012 0.000 1.595 1302 C HN 0.965 nan 8.230 nan 0.000 0.576 1303 L N 5.152 126.375 121.223 0.001 0.000 2.371 1303 L HA 0.764 5.105 4.340 0.002 0.000 0.272 1303 L C -0.079 176.833 176.870 0.070 0.000 1.124 1303 L CA -0.060 54.810 54.840 0.050 0.000 0.816 1303 L CB 1.370 43.472 42.059 0.072 0.000 1.129 1303 L HN 0.465 nan 8.230 nan 0.000 0.448 1304 V N 1.408 121.374 119.914 0.085 0.000 3.012 1304 V HA 0.938 5.059 4.120 0.002 0.000 0.307 1304 V C 0.038 176.194 176.094 0.102 0.000 1.166 1304 V CA -0.137 62.214 62.300 0.086 0.000 0.974 1304 V CB 2.052 33.918 31.823 0.071 0.000 1.040 1304 V HN 1.000 nan 8.190 nan 0.000 0.428 1305 G N 1.697 110.557 108.800 0.100 0.000 2.327 1305 G HA2 0.614 4.575 3.960 0.002 0.000 0.291 1305 G HA3 0.614 4.575 3.960 0.002 0.000 0.291 1305 G C -0.691 174.261 174.900 0.087 0.000 1.290 1305 G CA 0.217 45.385 45.100 0.113 0.000 0.857 1305 G HN 1.386 nan 8.290 nan 0.000 0.520 1306 G N -1.353 107.500 108.800 0.088 0.000 2.690 1306 G HA2 1.023 4.985 3.960 0.002 0.000 0.293 1306 G HA3 1.023 4.985 3.960 0.002 0.000 0.293 1306 G C -1.074 173.882 174.900 0.093 0.000 1.399 1306 G CA -0.025 45.060 45.100 -0.025 0.000 0.890 1306 G HN 1.767 nan 8.290 nan 0.000 0.485 1307 F N -1.143 118.834 119.950 0.044 0.000 2.711 1307 F HA 0.883 5.411 4.527 0.002 0.000 0.313 1307 F C -1.549 174.293 175.800 0.070 0.000 1.141 1307 F CA -1.133 56.908 58.000 0.069 0.000 0.941 1307 F CB 2.331 41.419 39.000 0.148 0.000 1.349 1307 F HN 0.519 nan 8.300 nan 0.000 0.464 1308 D N 0.014 120.656 120.400 0.404 0.000 2.912 1308 D HA 0.274 4.915 4.640 0.002 0.000 0.263 1308 D C -2.175 174.323 176.300 0.329 0.000 1.152 1308 D CA -0.259 53.928 54.000 0.311 0.000 0.728 1308 D CB 2.233 43.111 40.800 0.130 0.000 1.337 1308 D HN 0.724 nan 8.370 nan 0.000 0.435 1309 D N -0.328 120.265 120.400 0.322 0.000 2.467 1309 D HA 0.543 5.184 4.640 0.002 0.000 0.245 1309 D C -1.170 175.352 176.300 0.371 0.000 1.038 1309 D CA -0.468 53.759 54.000 0.378 0.000 1.038 1309 D CB 1.255 42.270 40.800 0.359 0.000 1.278 1309 D HN 0.154 nan 8.370 nan 0.000 0.564 1310 F N 1.417 121.544 119.950 0.295 0.000 2.420 1310 F HA 0.440 4.968 4.527 0.002 0.000 0.342 1310 F C -0.562 175.339 175.800 0.168 0.000 1.113 1310 F CA -0.153 57.982 58.000 0.225 0.000 1.059 1310 F CB 0.869 40.011 39.000 0.237 0.000 1.128 1310 F HN 0.052 nan 8.300 nan 0.000 0.475 1311 Q N 4.644 123.955 119.800 -0.815 0.000 2.379 1311 Q HA 0.087 4.428 4.340 0.002 0.000 0.278 1311 Q C 0.518 175.956 176.000 -0.937 0.000 1.068 1311 Q CA -0.516 54.901 55.803 -0.643 0.000 0.816 1311 Q CB 2.222 30.797 28.738 -0.272 0.000 1.387 1311 Q HN 0.936 nan 8.270 nan 0.000 0.413 1312 E N 1.877 121.527 120.200 -0.918 0.000 2.097 1312 E HA -0.242 4.109 4.350 0.002 0.000 0.196 1312 E C 0.643 176.918 176.600 -0.541 0.000 1.000 1312 E CA 1.800 57.527 56.400 -1.122 0.000 0.804 1312 E CB 0.461 29.552 29.700 -1.016 0.000 0.740 1312 E HN 0.532 nan 8.360 nan 0.000 0.454 1313 E N -0.188 119.777 120.200 -0.391 0.000 2.072 1313 E HA -0.086 4.265 4.350 0.002 0.000 0.190 1313 E C 2.204 178.677 176.600 -0.213 0.000 0.982 1313 E CA 0.906 57.150 56.400 -0.259 0.000 0.803 1313 E CB -0.429 29.137 29.700 -0.224 0.000 0.755 1313 E HN 0.406 nan 8.360 nan 0.000 0.453 1314 G N 1.629 110.275 108.800 -0.256 0.000 2.453 1314 G HA2 -0.326 3.636 3.960 0.002 0.000 0.215 1314 G HA3 -0.326 3.636 3.960 0.002 0.000 0.215 1314 G C 1.768 176.619 174.900 -0.082 0.000 1.201 1314 G CA 1.241 46.205 45.100 -0.227 0.000 0.784 1314 G HN 0.348 nan 8.290 nan 0.000 0.545 1315 S N -0.707 114.961 115.700 -0.053 0.000 2.374 1315 S HA -0.209 4.262 4.470 0.002 0.000 0.227 1315 S C 2.101 176.943 174.600 0.402 0.000 1.037 1315 S CA 1.759 60.102 58.200 0.239 0.000 1.024 1315 S CB -0.467 62.858 63.200 0.208 0.000 0.861 1315 S HN 0.487 nan 8.310 nan 0.000 0.456 1316 Y N 1.486 121.856 120.300 0.117 0.000 2.242 1316 Y HA -0.060 4.492 4.550 0.002 0.000 0.291 1316 Y C 2.411 178.311 175.900 0.000 0.000 1.137 1316 Y CA 2.036 60.100 58.100 -0.060 0.000 1.181 1316 Y CB -0.238 37.955 38.460 -0.445 0.000 0.989 1316 Y HN 0.242 nan 8.280 nan 0.000 0.527 1317 E N -0.080 120.152 120.200 0.054 0.000 2.047 1317 E HA -0.165 4.186 4.350 0.002 0.000 0.191 1317 E C 2.017 178.579 176.600 -0.063 0.000 0.987 1317 E CA 1.508 57.866 56.400 -0.071 0.000 0.799 1317 E CB -0.764 28.800 29.700 -0.227 0.000 0.752 1317 E HN 0.551 nan 8.360 nan 0.000 0.449 1318 F N 0.411 120.378 119.950 0.028 0.000 2.154 1318 F HA -0.257 4.271 4.527 0.002 0.000 0.301 1318 F C 2.261 178.080 175.800 0.032 0.000 1.087 1318 F CA 0.837 58.868 58.000 0.052 0.000 1.274 1318 F CB -0.247 38.789 39.000 0.060 0.000 1.009 1318 F HN 0.100 nan 8.300 nan 0.000 0.485 1319 A N 0.275 123.225 122.820 0.217 0.000 1.933 1319 A HA -0.253 4.068 4.320 0.002 0.000 0.218 1319 A C 1.799 179.409 177.584 0.043 0.000 1.175 1319 A CA 2.210 54.311 52.037 0.108 0.000 0.628 1319 A CB -0.954 18.158 19.000 0.187 0.000 0.814 1319 A HN 0.427 nan 8.150 nan 0.000 0.444 1320 N N -0.584 118.111 118.700 -0.009 0.000 2.309 1320 N HA -0.058 4.683 4.740 0.002 0.000 0.182 1320 N C 1.718 177.255 175.510 0.044 0.000 1.018 1320 N CA 1.633 54.671 53.050 -0.019 0.000 0.876 1320 N CB -0.244 38.216 38.487 -0.045 0.000 0.972 1320 N HN 0.532 nan 8.380 nan 0.000 0.434 1321 M N -1.897 117.765 119.600 0.104 0.000 2.288 1321 M HA 0.164 4.645 4.480 0.002 0.000 0.266 1321 M C 1.149 177.539 176.300 0.150 0.000 1.072 1321 M CA 1.063 56.456 55.300 0.156 0.000 1.132 1321 M CB 0.216 32.977 32.600 0.270 0.000 1.386 1321 M HN 0.283 nan 8.290 nan 0.000 0.432 1322 G N -0.246 108.637 108.800 0.139 0.000 2.148 1322 G HA2 -0.152 3.809 3.960 0.002 0.000 0.203 1322 G HA3 -0.152 3.809 3.960 0.002 0.000 0.203 1322 G C 0.784 175.748 174.900 0.107 0.000 0.993 1322 G CA 0.304 45.459 45.100 0.091 0.000 0.661 1322 G HN 0.502 nan 8.290 nan 0.000 0.518 1323 A N -0.106 122.827 122.820 0.188 0.000 1.878 1323 A HA 0.449 4.770 4.320 0.002 0.000 0.213 1323 A C 1.843 179.385 177.584 -0.070 0.000 1.192 1323 A CA 2.247 54.440 52.037 0.260 0.000 0.619 1323 A CB -0.670 18.708 19.000 0.630 0.000 0.837 1323 A HN 1.517 nan 8.150 nan 0.000 0.446 1324 T N -0.063 114.265 114.554 -0.378 0.000 2.766 1324 T HA 0.428 4.779 4.350 0.002 0.000 0.295 1324 T C 0.328 174.838 174.700 -0.316 0.000 1.024 1324 T CA 0.034 61.728 62.100 -0.676 0.000 1.018 1324 T CB 0.837 69.362 68.868 -0.570 0.000 1.002 1324 T HN 0.557 nan 8.240 nan 0.000 0.532 1325 S N 1.074 116.593 115.700 -0.302 0.000 2.480 1325 S HA 0.258 4.730 4.470 0.002 0.000 0.286 1325 S C 0.057 174.550 174.600 -0.179 0.000 1.180 1325 S CA -1.069 57.020 58.200 -0.186 0.000 1.075 1325 S CB 0.502 63.607 63.200 -0.159 0.000 0.996 1325 S HN 0.719 nan 8.310 nan 0.000 0.487 1326 N N 2.364 120.980 118.700 -0.141 0.000 2.400 1326 N HA 0.121 4.862 4.740 0.002 0.000 0.278 1326 N C 1.304 176.744 175.510 -0.116 0.000 1.247 1326 N CA 0.238 53.209 53.050 -0.132 0.000 0.970 1326 N CB 0.589 39.021 38.487 -0.092 0.000 1.312 1326 N HN 0.799 nan 8.380 nan 0.000 0.488 1327 A N 4.958 127.707 122.820 -0.119 0.000 1.903 1327 A HA -0.224 4.097 4.320 0.002 0.000 0.219 1327 A C 2.132 179.787 177.584 0.119 0.000 1.191 1327 A CA 1.563 53.563 52.037 -0.062 0.000 0.638 1327 A CB -0.349 18.671 19.000 0.034 0.000 0.823 1327 A HN 0.730 nan 8.150 nan 0.000 0.451 1328 K N -0.687 119.786 120.400 0.123 0.000 2.103 1328 K HA -0.175 4.146 4.320 0.002 0.000 0.207 1328 K C 2.065 178.719 176.600 0.090 0.000 1.048 1328 K CA 1.758 58.131 56.287 0.144 0.000 0.930 1328 K CB -0.145 32.372 32.500 0.029 0.000 0.716 1328 K HN 0.663 nan 8.250 nan 0.000 0.444 1329 E N 0.091 120.296 120.200 0.009 0.000 2.107 1329 E HA -0.147 4.204 4.350 0.002 0.000 0.191 1329 E C 1.856 178.425 176.600 -0.052 0.000 0.982 1329 E CA 0.738 57.121 56.400 -0.028 0.000 0.809 1329 E CB 0.153 29.823 29.700 -0.049 0.000 0.756 1329 E HN 0.308 nan 8.360 nan 0.000 0.459 1330 E N -0.037 120.107 120.200 -0.093 0.000 2.152 1330 E HA -0.117 4.234 4.350 0.002 0.000 0.192 1330 E C 1.725 178.211 176.600 -0.191 0.000 0.983 1330 E CA 0.522 56.821 56.400 -0.168 0.000 0.818 1330 E CB -0.028 29.525 29.700 -0.245 0.000 0.758 1330 E HN 0.245 nan 8.360 nan 0.000 0.467 1331 F N 0.813 120.709 119.950 -0.090 0.000 2.234 1331 F HA -0.129 4.399 4.527 0.002 0.000 0.299 1331 F C 2.362 178.087 175.800 -0.124 0.000 1.087 1331 F CA 0.806 58.748 58.000 -0.096 0.000 1.340 1331 F CB -0.016 38.930 39.000 -0.089 0.000 1.031 1331 F HN 0.012 nan 8.300 nan 0.000 0.500 1332 A N -0.199 122.651 122.820 0.049 0.000 2.168 1332 A HA -0.062 4.259 4.320 0.002 0.000 0.215 1332 A C 1.912 179.424 177.584 -0.120 0.000 1.152 1332 A CA 0.759 52.767 52.037 -0.048 0.000 0.716 1332 A CB -0.446 18.520 19.000 -0.055 0.000 0.794 1332 A HN 0.317 nan 8.150 nan 0.000 0.465 1333 R N -1.374 119.055 120.500 -0.119 0.000 2.393 1333 R HA 0.237 4.579 4.340 0.002 0.000 0.244 1333 R C 1.098 177.287 176.300 -0.185 0.000 0.920 1333 R CA 0.471 56.479 56.100 -0.154 0.000 1.076 1333 R CB 0.125 30.355 30.300 -0.117 0.000 1.119 1333 R HN 0.587 nan 8.270 nan 0.000 0.524 1334 G N 1.815 110.490 108.800 -0.209 0.000 2.148 1334 G HA2 -0.266 3.695 3.960 0.002 0.000 0.254 1334 G HA3 -0.266 3.695 3.960 0.002 0.000 0.254 1334 G C 0.105 174.979 174.900 -0.042 0.000 0.981 1334 G CA -0.134 44.800 45.100 -0.277 0.000 0.670 1334 G HN 0.101 nan 8.290 nan 0.000 0.528 1335 R N 0.675 121.130 120.500 -0.076 0.000 2.615 1335 R HA 0.524 4.865 4.340 0.002 0.000 0.270 1335 R C 0.545 176.760 176.300 -0.141 0.000 1.081 1335 R CA -0.019 56.024 56.100 -0.094 0.000 1.154 1335 R CB 0.415 30.603 30.300 -0.187 0.000 1.063 1335 R HN 0.600 nan 8.270 nan 0.000 0.519 1336 E N 1.673 121.811 120.200 -0.102 0.000 2.244 1336 E HA 0.332 4.683 4.350 0.002 0.000 0.266 1336 E C -2.360 174.146 176.600 -0.157 0.000 0.914 1336 E CA -2.139 54.217 56.400 -0.072 0.000 0.794 1336 E CB 1.526 31.247 29.700 0.035 0.000 1.210 1336 E HN 0.178 nan 8.360 nan 0.000 0.414 1337 P HA -0.032 nan 4.420 nan 0.000 0.261 1337 P C 0.492 177.780 177.300 -0.021 0.000 1.203 1337 P CA 1.028 64.073 63.100 -0.091 0.000 0.767 1337 P CB 0.287 31.998 31.700 0.019 0.000 0.785 1338 G N 3.567 112.359 108.800 -0.014 0.000 2.561 1338 G HA2 -0.255 3.706 3.960 0.002 0.000 0.203 1338 G HA3 -0.255 3.706 3.960 0.002 0.000 0.203 1338 G C 1.097 176.040 174.900 0.072 0.000 1.101 1338 G CA 0.136 45.275 45.100 0.064 0.000 0.711 1338 G HN 0.517 nan 8.290 nan 0.000 0.511 1339 E N 0.683 120.902 120.200 0.032 0.000 2.515 1339 E HA 0.074 4.426 4.350 0.002 0.000 0.201 1339 E C 2.412 179.004 176.600 -0.014 0.000 1.071 1339 E CA 0.738 57.151 56.400 0.022 0.000 0.880 1339 E CB -0.242 29.468 29.700 0.018 0.000 0.828 1339 E HN 0.555 nan 8.360 nan 0.000 0.540 1340 M N -0.077 119.497 119.600 -0.044 0.000 2.229 1340 M HA -0.039 4.442 4.480 0.002 0.000 0.264 1340 M C 1.385 177.665 176.300 -0.034 0.000 1.063 1340 M CA 0.671 55.918 55.300 -0.088 0.000 1.114 1340 M CB -0.236 32.282 32.600 -0.136 0.000 1.387 1340 M HN -0.062 nan 8.290 nan 0.000 0.420 1341 S N 2.290 118.006 115.700 0.027 0.000 2.474 1341 S HA 0.338 4.809 4.470 0.002 0.000 0.320 1341 S C -0.112 174.541 174.600 0.089 0.000 1.067 1341 S CA -0.785 57.455 58.200 0.067 0.000 1.127 1341 S CB 0.125 63.393 63.200 0.113 0.000 0.971 1341 S HN 0.379 nan 8.310 nan 0.000 0.472 1342 R N 4.228 124.746 120.500 0.030 0.000 2.402 1342 R HA 0.348 4.689 4.340 0.002 0.000 0.290 1342 R C -2.821 173.432 176.300 -0.078 0.000 1.321 1342 R CA -1.814 54.279 56.100 -0.011 0.000 1.283 1342 R CB 0.662 30.943 30.300 -0.032 0.000 1.111 1342 R HN 0.260 nan 8.270 nan 0.000 0.578 1343 P HA -0.196 nan 4.420 nan 0.000 0.216 1343 P C 0.691 177.752 177.300 -0.398 0.000 1.154 1343 P CA 1.864 64.842 63.100 -0.204 0.000 0.865 1343 P CB 0.277 31.847 31.700 -0.217 0.000 0.789 1344 T N -5.191 109.043 114.554 -0.533 0.000 3.044 1344 T HA 0.184 4.535 4.350 0.002 0.000 0.260 1344 T C 0.785 175.275 174.700 -0.350 0.000 1.019 1344 T CA -0.304 61.445 62.100 -0.584 0.000 0.921 1344 T CB -0.292 68.005 68.868 -0.950 0.000 1.053 1344 T HN -0.030 nan 8.240 nan 0.000 0.533 1345 S N 1.509 117.071 115.700 -0.229 0.000 2.580 1345 S HA 0.084 4.555 4.470 0.002 0.000 0.261 1345 S C 1.580 176.118 174.600 -0.103 0.000 1.366 1345 S CA 0.087 58.209 58.200 -0.130 0.000 0.996 1345 S CB 0.445 63.597 63.200 -0.079 0.000 0.902 1345 S HN 0.396 nan 8.310 nan 0.000 0.566 1346 T N 1.786 116.302 114.554 -0.064 0.000 2.896 1346 T HA -0.032 4.320 4.350 0.002 0.000 0.263 1346 T C 1.705 176.376 174.700 -0.049 0.000 1.050 1346 T CA 1.516 63.588 62.100 -0.048 0.000 1.140 1346 T CB -0.592 68.257 68.868 -0.031 0.000 0.877 1346 T HN 0.783 nan 8.240 nan 0.000 0.457 1347 T N 2.298 116.820 114.554 -0.052 0.000 3.148 1347 T HA 0.048 4.400 4.350 0.002 0.000 0.253 1347 T C 0.901 175.571 174.700 -0.051 0.000 1.134 1347 T CA -0.233 61.836 62.100 -0.052 0.000 1.051 1347 T CB -0.409 68.427 68.868 -0.054 0.000 0.959 1347 T HN 0.554 nan 8.240 nan 0.000 0.525 1348 R N 2.753 123.220 120.500 -0.055 0.000 2.537 1348 R HA 0.077 4.419 4.340 0.002 0.000 0.281 1348 R C 0.376 176.653 176.300 -0.038 0.000 0.988 1348 R CA 0.601 56.671 56.100 -0.050 0.000 1.077 1348 R CB 0.115 30.376 30.300 -0.064 0.000 0.932 1348 R HN 0.300 nan 8.270 nan 0.000 0.409 1349 N N 1.998 120.679 118.700 -0.032 0.000 2.594 1349 N HA 0.186 4.927 4.740 0.002 0.000 0.237 1349 N C 0.113 175.617 175.510 -0.010 0.000 1.057 1349 N CA 0.375 53.409 53.050 -0.027 0.000 0.883 1349 N CB 0.561 39.022 38.487 -0.043 0.000 1.538 1349 N HN 0.679 nan 8.380 nan 0.000 0.451 1350 G N -0.655 108.136 108.800 -0.013 0.000 2.660 1350 G HA2 0.501 4.463 3.960 0.002 0.000 0.290 1350 G HA3 0.501 4.463 3.960 0.002 0.000 0.290 1350 G C -1.399 173.517 174.900 0.027 0.000 1.432 1350 G CA -0.967 44.136 45.100 0.004 0.000 0.807 1350 G HN 0.253 nan 8.290 nan 0.000 0.485 1351 F N -0.709 119.222 119.950 -0.032 0.000 2.362 1351 F HA 0.882 5.410 4.527 0.002 0.000 0.311 1351 F C 0.032 175.807 175.800 -0.042 0.000 1.161 1351 F CA -1.451 56.536 58.000 -0.022 0.000 1.085 1351 F CB 1.340 40.347 39.000 0.011 0.000 1.311 1351 F HN 0.438 nan 8.300 nan 0.000 0.524 1352 M N 2.358 122.055 119.600 0.162 0.000 2.227 1352 M HA 0.322 4.804 4.480 0.002 0.000 0.335 1352 M C -0.707 175.676 176.300 0.137 0.000 1.053 1352 M CA -0.420 54.886 55.300 0.010 0.000 0.973 1352 M CB 0.951 33.588 32.600 0.062 0.000 1.623 1352 M HN 0.612 nan 8.290 nan 0.000 0.434 1353 E N 1.996 122.171 120.200 -0.042 0.000 2.413 1353 E HA 0.281 4.632 4.350 0.002 0.000 0.263 1353 E C -0.936 175.710 176.600 0.077 0.000 1.015 1353 E CA 0.249 56.711 56.400 0.104 0.000 0.916 1353 E CB 0.970 30.782 29.700 0.187 0.000 0.947 1353 E HN 0.732 nan 8.360 nan 0.000 0.440 1354 S N 0.966 116.765 115.700 0.165 0.000 2.672 1354 S HA 0.432 4.903 4.470 0.002 0.000 0.271 1354 S C -1.742 172.979 174.600 0.201 0.000 1.171 1354 S CA -0.690 57.598 58.200 0.147 0.000 0.817 1354 S CB 1.232 64.561 63.200 0.215 0.000 1.150 1354 S HN 0.497 nan 8.310 nan 0.000 0.478 1355 Q N 0.502 120.430 119.800 0.213 0.000 2.553 1355 Q HA 0.815 5.156 4.340 0.002 0.000 0.293 1355 Q C -0.131 175.959 176.000 0.149 0.000 1.038 1355 Q CA -0.711 55.209 55.803 0.195 0.000 0.777 1355 Q CB 1.387 30.281 28.738 0.260 0.000 1.487 1355 Q HN 1.538 nan 8.270 nan 0.000 0.426 1356 G N -0.612 108.212 108.800 0.040 0.000 2.384 1356 G HA2 0.196 4.157 3.960 0.002 0.000 0.668 1356 G HA3 0.196 4.157 3.960 0.002 0.000 0.668 1356 G C -0.538 174.486 174.900 0.206 0.000 1.280 1356 G CA -0.508 44.586 45.100 -0.010 0.000 0.992 1356 G HN 1.582 nan 8.290 nan 0.000 0.512 1357 C N -1.209 118.279 119.300 0.314 0.000 3.235 1357 C HA 1.139 5.601 4.460 0.002 0.000 0.351 1357 C C 0.578 175.881 174.990 0.522 0.000 1.520 1357 C CA 0.191 59.425 59.018 0.360 0.000 1.474 1357 C CB 1.434 29.415 27.740 0.402 0.000 2.019 1357 C HN 2.714 nan 8.230 nan 0.000 0.446 1358 G N -0.068 108.955 108.800 0.372 0.000 2.753 1358 G HA2 0.650 4.611 3.960 0.002 0.000 0.297 1358 G HA3 0.650 4.611 3.960 0.002 0.000 0.297 1358 G C -1.941 173.101 174.900 0.236 0.000 1.430 1358 G CA -0.319 45.008 45.100 0.378 0.000 1.040 1358 G HN 1.212 nan 8.290 nan 0.000 0.530 1359 V N 2.108 122.133 119.914 0.185 0.000 2.925 1359 V HA 0.688 4.809 4.120 0.002 0.000 0.311 1359 V C -1.125 175.024 176.094 0.091 0.000 1.104 1359 V CA -0.880 61.506 62.300 0.144 0.000 0.954 1359 V CB 2.223 34.141 31.823 0.158 0.000 1.022 1359 V HN 0.897 nan 8.190 nan 0.000 0.427 1360 Q N 2.884 122.730 119.800 0.077 0.000 2.347 1360 Q HA 0.686 5.027 4.340 0.002 0.000 0.271 1360 Q C -0.861 175.179 176.000 0.066 0.000 1.064 1360 Q CA -0.699 55.130 55.803 0.044 0.000 0.800 1360 Q CB 2.526 31.280 28.738 0.027 0.000 1.304 1360 Q HN 0.629 nan 8.270 nan 0.000 0.438 1361 V N 3.128 123.085 119.914 0.072 0.000 2.567 1361 V HA 0.708 4.829 4.120 0.002 0.000 0.289 1361 V C -0.275 175.868 176.094 0.082 0.000 1.049 1361 V CA -0.487 61.864 62.300 0.085 0.000 0.969 1361 V CB 0.737 32.638 31.823 0.129 0.000 0.995 1361 V HN 0.800 nan 8.190 nan 0.000 0.471 1362 I N 3.792 124.403 120.570 0.067 0.000 2.730 1362 I HA 0.756 4.927 4.170 0.002 0.000 0.298 1362 I C -0.676 175.475 176.117 0.057 0.000 1.089 1362 I CA -0.947 60.396 61.300 0.072 0.000 1.041 1362 I CB 2.343 40.391 38.000 0.079 0.000 1.235 1362 I HN 0.682 nan 8.210 nan 0.000 0.423 1363 M N 2.535 122.175 119.600 0.068 0.000 2.664 1363 M HA 0.392 4.873 4.480 0.002 0.000 0.279 1363 M C -0.459 175.874 176.300 0.055 0.000 1.275 1363 M CA -0.728 54.607 55.300 0.058 0.000 0.829 1363 M CB 2.959 35.607 32.600 0.079 0.000 1.727 1363 M HN 0.817 nan 8.290 nan 0.000 0.459 1364 T N -0.516 114.064 114.554 0.044 0.000 2.919 1364 T HA 0.392 4.743 4.350 0.002 0.000 0.302 1364 T C 1.027 175.757 174.700 0.049 0.000 1.031 1364 T CA -0.082 62.045 62.100 0.044 0.000 1.127 1364 T CB 1.110 69.998 68.868 0.033 0.000 0.952 1364 T HN 0.714 nan 8.240 nan 0.000 0.540 1365 A N 1.924 124.779 122.820 0.058 0.000 1.917 1365 A HA -0.196 4.125 4.320 0.002 0.000 0.219 1365 A C 2.383 179.986 177.584 0.032 0.000 1.182 1365 A CA 1.976 54.038 52.037 0.041 0.000 0.633 1365 A CB -1.046 17.996 19.000 0.069 0.000 0.819 1365 A HN 1.019 nan 8.150 nan 0.000 0.448 1366 Q N -0.434 119.392 119.800 0.043 0.000 1.985 1366 Q HA -0.209 4.132 4.340 0.002 0.000 0.207 1366 Q C 2.074 178.093 176.000 0.031 0.000 0.996 1366 Q CA 1.923 57.749 55.803 0.039 0.000 0.851 1366 Q CB -0.423 28.341 28.738 0.042 0.000 0.921 1366 Q HN 0.577 nan 8.270 nan 0.000 0.418 1367 L N 0.523 121.766 121.223 0.033 0.000 2.127 1367 L HA -0.175 4.166 4.340 0.002 0.000 0.211 1367 L C 2.333 179.192 176.870 -0.018 0.000 1.089 1367 L CA 1.908 56.758 54.840 0.017 0.000 0.757 1367 L CB -1.132 40.956 42.059 0.050 0.000 0.899 1367 L HN 0.432 nan 8.230 nan 0.000 0.434 1368 A N 0.273 123.103 122.820 0.017 0.000 1.858 1368 A HA -0.217 4.104 4.320 0.002 0.000 0.216 1368 A C 2.201 179.822 177.584 0.062 0.000 1.190 1368 A CA 1.767 53.824 52.037 0.034 0.000 0.617 1368 A CB -0.740 18.287 19.000 0.045 0.000 0.827 1368 A HN 0.491 nan 8.150 nan 0.000 0.443 1369 L N -0.797 120.447 121.223 0.035 0.000 2.093 1369 L HA -0.165 4.176 4.340 0.002 0.000 0.208 1369 L C 2.641 179.586 176.870 0.125 0.000 1.085 1369 L CA 1.682 56.561 54.840 0.065 0.000 0.755 1369 L CB -0.489 41.539 42.059 -0.051 0.000 0.904 1369 L HN 0.622 nan 8.230 nan 0.000 0.435 1370 E N 0.436 120.655 120.200 0.032 0.000 2.077 1370 E HA -0.242 4.109 4.350 0.002 0.000 0.193 1370 E C 2.313 178.842 176.600 -0.119 0.000 0.989 1370 E CA 1.292 57.694 56.400 0.005 0.000 0.800 1370 E CB -0.011 29.696 29.700 0.012 0.000 0.746 1370 E HN 0.435 nan 8.360 nan 0.000 0.452 1371 M N -0.797 118.612 119.600 -0.318 0.000 2.099 1371 M HA 0.008 4.490 4.480 0.002 0.000 0.262 1371 M C 1.238 177.430 176.300 -0.181 0.000 1.067 1371 M CA 1.422 56.369 55.300 -0.590 0.000 1.124 1371 M CB 0.213 32.448 32.600 -0.609 0.000 1.353 1371 M HN 0.367 nan 8.290 nan 0.000 0.410 1372 G N 1.448 110.240 108.800 -0.013 0.000 2.392 1372 G HA2 -0.089 3.872 3.960 0.002 0.000 0.215 1372 G HA3 -0.089 3.872 3.960 0.002 0.000 0.215 1372 G C -0.295 174.579 174.900 -0.042 0.000 1.097 1372 G CA -0.091 45.021 45.100 0.020 0.000 0.840 1372 G HN 0.478 nan 8.290 nan 0.000 0.492 1373 V N -2.673 117.268 119.914 0.044 0.000 2.732 1373 V HA 0.921 5.043 4.120 0.002 0.000 0.310 1373 V C -1.710 174.377 176.094 -0.013 0.000 1.053 1373 V CA -3.014 59.254 62.300 -0.054 0.000 0.957 1373 V CB 1.713 33.509 31.823 -0.044 0.000 1.018 1373 V HN 0.082 nan 8.190 nan 0.000 0.452 1374 P HA 0.261 nan 4.420 nan 0.000 0.267 1374 P C -0.655 176.615 177.300 -0.051 0.000 1.201 1374 P CA 0.411 63.354 63.100 -0.263 0.000 0.775 1374 P CB 0.236 31.547 31.700 -0.648 0.000 0.854 1375 I N 2.296 122.855 120.570 -0.019 0.000 2.468 1375 I HA 0.188 4.359 4.170 0.002 0.000 0.284 1375 I C 0.240 176.301 176.117 -0.093 0.000 1.038 1375 I CA -0.435 60.875 61.300 0.016 0.000 1.083 1375 I CB 1.470 39.502 38.000 0.055 0.000 1.223 1375 I HN 0.397 nan 8.210 nan 0.000 0.443 1376 Y N 4.469 124.760 120.300 -0.015 0.000 2.490 1376 Y HA 0.308 4.860 4.550 0.002 0.000 0.285 1376 Y C 1.503 177.352 175.900 -0.086 0.000 1.117 1376 Y CA 0.462 58.534 58.100 -0.047 0.000 1.262 1376 Y CB 0.636 39.070 38.460 -0.043 0.000 1.043 1376 Y HN 0.642 nan 8.280 nan 0.000 0.553 1377 G N -0.671 108.158 108.800 0.047 0.000 2.356 1377 G HA2 0.401 4.362 3.960 0.002 0.000 0.294 1377 G HA3 0.401 4.362 3.960 0.002 0.000 0.294 1377 G C -1.932 172.903 174.900 -0.108 0.000 1.423 1377 G CA -1.022 44.047 45.100 -0.052 0.000 0.806 1377 G HN -0.090 nan 8.290 nan 0.000 0.527 1378 I N 0.886 121.321 120.570 -0.226 0.000 2.339 1378 I HA 0.310 4.482 4.170 0.002 0.000 0.290 1378 I C 0.225 176.223 176.117 -0.198 0.000 0.994 1378 I CA -1.007 60.143 61.300 -0.250 0.000 1.191 1378 I CB 1.962 39.634 38.000 -0.546 0.000 1.343 1378 I HN 0.163 nan 8.210 nan 0.000 0.458 1379 V N 6.809 126.684 119.914 -0.066 0.000 2.377 1379 V HA 0.034 4.155 4.120 0.002 0.000 0.254 1379 V C 1.303 177.358 176.094 -0.065 0.000 1.060 1379 V CA 0.331 62.579 62.300 -0.086 0.000 1.068 1379 V CB 0.338 32.156 31.823 -0.009 0.000 1.113 1379 V HN 1.003 nan 8.190 nan 0.000 0.484 1380 A N 5.294 128.015 122.820 -0.164 0.000 1.970 1380 A HA 0.281 4.602 4.320 0.002 0.000 0.216 1380 A C 0.848 178.392 177.584 -0.067 0.000 1.170 1380 A CA 1.046 53.056 52.037 -0.045 0.000 0.645 1380 A CB 0.122 19.030 19.000 -0.154 0.000 0.816 1380 A HN 0.759 nan 8.150 nan 0.000 0.447 1381 M N -1.023 118.419 119.600 -0.262 0.000 2.562 1381 M HA 0.457 4.938 4.480 0.002 0.000 0.281 1381 M C -1.866 174.187 176.300 -0.411 0.000 1.195 1381 M CA -0.132 54.981 55.300 -0.311 0.000 0.888 1381 M CB 1.946 34.395 32.600 -0.252 0.000 1.731 1381 M HN 0.240 nan 8.290 nan 0.000 0.493 1382 T N -0.084 114.220 114.554 -0.416 0.000 2.868 1382 T HA 0.946 5.297 4.350 0.002 0.000 0.306 1382 T C -1.042 173.565 174.700 -0.156 0.000 1.224 1382 T CA -0.203 61.721 62.100 -0.294 0.000 1.012 1382 T CB 1.768 70.436 68.868 -0.333 0.000 1.221 1382 T HN 1.187 nan 8.240 nan 0.000 0.499 1383 S N -0.142 115.483 115.700 -0.125 0.000 2.597 1383 S HA 0.722 5.193 4.470 0.002 0.000 0.274 1383 S C -0.779 173.761 174.600 -0.101 0.000 1.132 1383 S CA -0.847 57.306 58.200 -0.080 0.000 0.835 1383 S CB 1.097 64.258 63.200 -0.064 0.000 1.092 1383 S HN 1.525 nan 8.310 nan 0.000 0.457 1384 T N -1.467 113.042 114.554 -0.075 0.000 2.885 1384 T HA 0.925 5.276 4.350 0.002 0.000 0.285 1384 T C -0.407 174.247 174.700 -0.077 0.000 1.019 1384 T CA -0.635 61.411 62.100 -0.090 0.000 1.010 1384 T CB 1.590 70.419 68.868 -0.064 0.000 1.022 1384 T HN 1.906 nan 8.240 nan 0.000 0.466 1385 A N 1.960 124.726 122.820 -0.090 0.000 2.437 1385 A HA 0.711 5.032 4.320 0.002 0.000 0.293 1385 A C -0.030 177.527 177.584 -0.046 0.000 1.038 1385 A CA -0.950 51.047 52.037 -0.066 0.000 0.708 1385 A CB 1.220 20.172 19.000 -0.079 0.000 1.251 1385 A HN 0.923 nan 8.150 nan 0.000 0.409 1386 T N 1.641 116.181 114.554 -0.024 0.000 2.918 1386 T HA 0.539 4.890 4.350 0.002 0.000 0.283 1386 T C -0.194 174.507 174.700 0.001 0.000 1.001 1386 T CA -0.560 61.536 62.100 -0.007 0.000 1.041 1386 T CB 0.898 69.765 68.868 -0.003 0.000 1.028 1386 T HN 0.649 nan 8.240 nan 0.000 0.511 1387 D N 0.405 120.812 120.400 0.012 0.000 2.511 1387 D HA 0.280 4.922 4.640 0.002 0.000 0.283 1387 D C 0.733 177.038 176.300 0.008 0.000 1.198 1387 D CA -0.683 53.326 54.000 0.015 0.000 1.097 1387 D CB 0.476 41.291 40.800 0.025 0.000 1.160 1387 D HN 0.598 nan 8.370 nan 0.000 0.589 1388 K N -0.201 120.203 120.400 0.008 0.000 2.440 1388 K HA 0.346 4.668 4.320 0.002 0.000 0.252 1388 K C 0.297 176.900 176.600 0.006 0.000 1.044 1388 K CA -0.627 55.663 56.287 0.005 0.000 0.962 1388 K CB 0.222 32.725 32.500 0.004 0.000 1.269 1388 K HN 0.253 nan 8.250 nan 0.000 0.505 1389 I N 0.579 121.152 120.570 0.005 0.000 2.588 1389 I HA 0.170 4.341 4.170 0.002 0.000 0.283 1389 I C 0.631 176.752 176.117 0.007 0.000 1.119 1389 I CA 0.612 61.916 61.300 0.006 0.000 1.419 1389 I CB 0.876 38.879 38.000 0.006 0.000 1.394 1389 I HN 0.893 nan 8.210 nan 0.000 0.562 1390 G N 5.087 113.892 108.800 0.008 0.000 2.706 1390 G HA2 0.477 4.438 3.960 0.002 0.000 0.307 1390 G HA3 0.477 4.438 3.960 0.002 0.000 0.307 1390 G C -0.161 174.746 174.900 0.011 0.000 1.307 1390 G CA -0.443 44.662 45.100 0.008 0.000 0.790 1390 G HN 0.409 nan 8.290 nan 0.000 0.503 1391 R N -0.765 119.742 120.500 0.012 0.000 2.582 1391 R HA 0.252 4.594 4.340 0.002 0.000 0.285 1391 R C 0.764 177.075 176.300 0.019 0.000 0.940 1391 R CA -0.061 56.048 56.100 0.015 0.000 1.072 1391 R CB 0.606 30.914 30.300 0.014 0.000 1.527 1391 R HN 0.414 nan 8.270 nan 0.000 0.538 1392 S N 1.652 117.361 115.700 0.015 0.000 2.411 1392 S HA 0.171 4.642 4.470 0.002 0.000 0.304 1392 S C 1.490 176.099 174.600 0.015 0.000 1.098 1392 S CA -0.306 57.903 58.200 0.015 0.000 1.068 1392 S CB 0.541 63.743 63.200 0.003 0.000 1.032 1392 S HN -0.049 nan 8.310 nan 0.000 0.511 1393 V N 7.671 127.609 119.914 0.039 0.000 2.332 1393 V HA -0.062 4.059 4.120 0.002 0.000 0.248 1393 V C -0.852 175.254 176.094 0.021 0.000 1.055 1393 V CA 1.603 63.938 62.300 0.058 0.000 1.038 1393 V CB -1.286 30.603 31.823 0.110 0.000 0.651 1393 V HN 0.659 nan 8.190 nan 0.000 0.450 1394 P HA 0.109 nan 4.420 nan 0.000 0.236 1394 P C 0.402 177.516 177.300 -0.310 0.000 1.177 1394 P CA 0.690 63.588 63.100 -0.336 0.000 0.773 1394 P CB -0.072 31.469 31.700 -0.265 0.000 0.878 1395 A N 1.482 124.219 122.820 -0.138 0.000 2.498 1395 A HA 0.344 4.666 4.320 0.002 0.000 0.239 1395 A C -2.170 175.356 177.584 -0.097 0.000 1.068 1395 A CA -0.602 51.373 52.037 -0.105 0.000 0.766 1395 A CB -0.948 18.021 19.000 -0.052 0.000 1.003 1395 A HN 0.056 nan 8.150 nan 0.000 0.497 1396 P HA 0.544 nan 4.420 nan 0.000 0.294 1396 P C 0.099 177.365 177.300 -0.057 0.000 1.294 1396 P CA -0.031 63.013 63.100 -0.094 0.000 0.827 1396 P CB 1.777 33.333 31.700 -0.239 0.000 0.992 1397 G N 1.329 110.148 108.800 0.032 0.000 3.108 1397 G HA2 0.372 4.333 3.960 0.002 0.000 0.268 1397 G HA3 0.372 4.333 3.960 0.002 0.000 0.268 1397 G C -0.695 174.267 174.900 0.103 0.000 1.361 1397 G CA -0.593 44.532 45.100 0.041 0.000 1.047 1397 G HN 0.417 nan 8.290 nan 0.000 0.540 1398 Q N 0.089 119.933 119.800 0.072 0.000 2.241 1398 Q HA 0.214 4.555 4.340 0.002 0.000 0.296 1398 Q C 1.627 177.659 176.000 0.054 0.000 0.889 1398 Q CA -0.090 55.764 55.803 0.085 0.000 1.089 1398 Q CB 1.189 29.953 28.738 0.043 0.000 1.195 1398 Q HN 0.654 nan 8.270 nan 0.000 0.451 1399 G N 0.526 109.358 108.800 0.053 0.000 2.422 1399 G HA2 -0.213 3.749 3.960 0.002 0.000 0.218 1399 G HA3 -0.213 3.749 3.960 0.002 0.000 0.218 1399 G C 1.345 176.233 174.900 -0.021 0.000 1.146 1399 G CA 0.719 45.822 45.100 0.006 0.000 0.769 1399 G HN 0.310 nan 8.290 nan 0.000 0.547 1400 V N 1.005 120.905 119.914 -0.024 0.000 2.867 1400 V HA -0.060 4.061 4.120 0.002 0.000 0.260 1400 V C 2.593 178.651 176.094 -0.060 0.000 1.099 1400 V CA 0.802 63.050 62.300 -0.086 0.000 1.122 1400 V CB -0.481 31.240 31.823 -0.170 0.000 0.708 1400 V HN 0.354 nan 8.190 nan 0.000 0.490 1401 L N 1.429 122.636 121.223 -0.026 0.000 2.079 1401 L HA -0.157 4.185 4.340 0.002 0.000 0.210 1401 L C 2.539 179.367 176.870 -0.070 0.000 1.081 1401 L CA 2.245 57.060 54.840 -0.042 0.000 0.752 1401 L CB -0.526 41.513 42.059 -0.034 0.000 0.896 1401 L HN 0.661 nan 8.230 nan 0.000 0.433 1402 T N -4.597 109.919 114.554 -0.063 0.000 3.400 1402 T HA -0.058 4.293 4.350 0.002 0.000 0.254 1402 T C 1.219 175.884 174.700 -0.058 0.000 1.153 1402 T CA 0.705 62.767 62.100 -0.064 0.000 1.012 1402 T CB -0.803 68.036 68.868 -0.047 0.000 0.994 1402 T HN 0.483 nan 8.240 nan 0.000 0.555 1403 T N -2.683 111.829 114.554 -0.071 0.000 3.163 1403 T HA 0.636 4.987 4.350 0.002 0.000 0.252 1403 T C 1.201 175.854 174.700 -0.079 0.000 1.056 1403 T CA -0.019 62.035 62.100 -0.076 0.000 0.947 1403 T CB 0.106 68.912 68.868 -0.102 0.000 1.016 1403 T HN 0.432 nan 8.240 nan 0.000 0.554 1404 A N 1.755 124.538 122.820 -0.062 0.000 2.603 1404 A HA 0.390 4.711 4.320 0.002 0.000 0.277 1404 A C 0.830 178.418 177.584 0.006 0.000 1.158 1404 A CA -0.843 51.179 52.037 -0.026 0.000 0.962 1404 A CB 0.014 19.002 19.000 -0.020 0.000 1.189 1404 A HN 0.623 nan 8.150 nan 0.000 0.552 1405 R N 0.904 121.383 120.500 -0.034 0.000 2.537 1405 R HA 0.454 4.796 4.340 0.002 0.000 0.280 1405 R C -0.329 176.015 176.300 0.073 0.000 1.058 1405 R CA 0.342 56.425 56.100 -0.028 0.000 1.057 1405 R CB 0.369 30.649 30.300 -0.035 0.000 0.973 1405 R HN 0.336 nan 8.270 nan 0.000 0.438 1406 E N 2.368 122.667 120.200 0.165 0.000 2.537 1406 E HA 0.112 4.463 4.350 0.002 0.000 0.301 1406 E C -1.867 174.839 176.600 0.176 0.000 0.990 1406 E CA -0.750 55.746 56.400 0.160 0.000 0.828 1406 E CB 1.600 31.384 29.700 0.141 0.000 1.243 1406 E HN 0.679 nan 8.360 nan 0.000 0.414 1407 K N 2.649 123.108 120.400 0.097 0.000 2.389 1407 K HA 0.332 4.653 4.320 0.002 0.000 0.261 1407 K C -1.202 175.423 176.600 0.041 0.000 1.014 1407 K CA -0.416 55.914 56.287 0.072 0.000 0.920 1407 K CB 1.696 34.230 32.500 0.057 0.000 1.149 1407 K HN 0.334 nan 8.250 nan 0.000 0.444 1408 S N 2.541 118.248 115.700 0.012 0.000 2.438 1408 S HA 0.404 4.875 4.470 0.002 0.000 0.293 1408 S C 0.231 174.827 174.600 -0.007 0.000 1.141 1408 S CA -0.624 57.574 58.200 -0.003 0.000 1.080 1408 S CB 0.789 63.965 63.200 -0.041 0.000 0.978 1408 S HN 0.778 nan 8.310 nan 0.000 0.479 1409 G N 3.381 112.189 108.800 0.013 0.000 2.684 1409 G HA2 0.049 4.010 3.960 0.002 0.000 0.255 1409 G HA3 0.049 4.010 3.960 0.002 0.000 0.255 1409 G C 0.959 175.833 174.900 -0.043 0.000 1.219 1409 G CA -0.516 44.590 45.100 0.011 0.000 0.901 1409 G HN 0.810 nan 8.290 nan 0.000 0.548 1410 N N -0.866 117.771 118.700 -0.105 0.000 2.192 1410 N HA -0.103 4.638 4.740 0.002 0.000 0.188 1410 N C -0.096 175.085 175.510 -0.549 0.000 1.013 1410 N CA 1.130 53.963 53.050 -0.362 0.000 0.863 1410 N CB -0.136 38.041 38.487 -0.516 0.000 0.990 1410 N HN 0.352 nan 8.380 nan 0.000 0.430 1411 F N 0.403 120.345 119.950 -0.013 0.000 2.520 1411 F HA 0.420 4.948 4.527 0.002 0.000 0.322 1411 F C -2.003 173.784 175.800 -0.022 0.000 1.103 1411 F CA -2.498 55.491 58.000 -0.019 0.000 0.926 1411 F CB 1.088 40.074 39.000 -0.023 0.000 1.154 1411 F HN -0.271 nan 8.300 nan 0.000 0.453 1412 P HA 0.012 nan 4.420 nan 0.000 0.265 1412 P C -0.254 177.078 177.300 0.052 0.000 1.193 1412 P CA -0.107 63.039 63.100 0.077 0.000 0.765 1412 P CB 0.682 32.418 31.700 0.060 0.000 0.823 1413 S N 4.447 120.168 115.700 0.036 0.000 2.558 1413 S HA 0.007 4.478 4.470 0.002 0.000 0.293 1413 S C -1.158 173.383 174.600 -0.097 0.000 1.292 1413 S CA -0.774 57.422 58.200 -0.008 0.000 1.063 1413 S CB -0.246 62.983 63.200 0.048 0.000 0.831 1413 S HN 0.262 nan 8.310 nan 0.000 0.499 1414 P HA -0.153 nan 4.420 nan 0.000 0.216 1414 P C 1.342 178.385 177.300 -0.429 0.000 1.154 1414 P CA 1.357 64.115 63.100 -0.569 0.000 0.865 1414 P CB -0.034 30.898 31.700 -1.280 0.000 0.789 1415 L N -1.810 119.265 121.223 -0.247 0.000 2.191 1415 L HA -0.160 4.182 4.340 0.002 0.000 0.212 1415 L C 2.402 179.176 176.870 -0.161 0.000 1.103 1415 L CA 1.056 55.842 54.840 -0.089 0.000 0.769 1415 L CB -0.943 41.161 42.059 0.074 0.000 0.908 1415 L HN -0.039 nan 8.230 nan 0.000 0.438 1416 L N -0.630 120.584 121.223 -0.014 0.000 2.131 1416 L HA -0.155 4.186 4.340 0.002 0.000 0.210 1416 L C 0.837 177.706 176.870 -0.002 0.000 1.092 1416 L CA 0.461 55.330 54.840 0.047 0.000 0.759 1416 L CB -0.592 41.514 42.059 0.078 0.000 0.903 1416 L HN 0.263 nan 8.230 nan 0.000 0.435 1417 D N 0.393 120.779 120.400 -0.025 0.000 2.339 1417 D HA 0.036 4.677 4.640 0.002 0.000 0.256 1417 D C 1.085 177.385 176.300 0.001 0.000 1.214 1417 D CA 0.136 54.136 54.000 0.000 0.000 0.877 1417 D CB 0.897 41.701 40.800 0.006 0.000 1.111 1417 D HN 0.024 nan 8.370 nan 0.000 0.478 1418 I N 3.542 124.108 120.570 -0.007 0.000 2.493 1418 I HA -0.228 3.944 4.170 0.002 0.000 0.254 1418 I C 1.607 177.708 176.117 -0.027 0.000 1.160 1418 I CA 0.927 62.209 61.300 -0.030 0.000 1.445 1418 I CB 0.186 38.180 38.000 -0.010 0.000 1.086 1418 I HN 0.454 nan 8.210 nan 0.000 0.433 1419 K N -0.259 120.140 120.400 -0.002 0.000 2.097 1419 K HA -0.232 4.089 4.320 0.002 0.000 0.205 1419 K C 2.057 178.643 176.600 -0.024 0.000 1.050 1419 K CA 1.449 57.725 56.287 -0.017 0.000 0.938 1419 K CB -0.453 32.045 32.500 -0.003 0.000 0.718 1419 K HN 0.303 nan 8.250 nan 0.000 0.442 1420 Y N 2.257 122.495 120.300 -0.103 0.000 2.165 1420 Y HA -0.217 4.334 4.550 0.002 0.000 0.286 1420 Y C 2.025 177.815 175.900 -0.184 0.000 1.155 1420 Y CA 1.478 59.506 58.100 -0.120 0.000 1.164 1420 Y CB 0.037 38.443 38.460 -0.089 0.000 0.978 1420 Y HN -0.106 nan 8.280 nan 0.000 0.513 1421 R N -0.192 120.247 120.500 -0.102 0.000 2.115 1421 R HA -0.126 4.216 4.340 0.002 0.000 0.230 1421 R C 2.440 178.527 176.300 -0.356 0.000 1.111 1421 R CA 0.987 56.937 56.100 -0.251 0.000 0.976 1421 R CB -0.243 29.990 30.300 -0.112 0.000 0.870 1421 R HN 0.285 nan 8.270 nan 0.000 0.445 1422 R N 0.946 121.310 120.500 -0.227 0.000 2.082 1422 R HA -0.117 4.224 4.340 0.002 0.000 0.234 1422 R C 2.231 178.367 176.300 -0.273 0.000 1.136 1422 R CA 1.533 57.514 56.100 -0.197 0.000 0.935 1422 R CB -0.411 29.817 30.300 -0.119 0.000 0.842 1422 R HN 0.236 nan 8.270 nan 0.000 0.430 1423 R N 0.347 120.672 120.500 -0.292 0.000 2.132 1423 R HA -0.196 4.145 4.340 0.002 0.000 0.233 1423 R C 2.322 178.365 176.300 -0.429 0.000 1.125 1423 R CA 1.919 57.833 56.100 -0.310 0.000 0.914 1423 R CB -0.396 29.715 30.300 -0.314 0.000 0.845 1423 R HN 0.323 nan 8.270 nan 0.000 0.431 1424 Q N 0.388 119.773 119.800 -0.691 0.000 2.197 1424 Q HA -0.204 4.137 4.340 0.002 0.000 0.207 1424 Q C 2.183 177.643 176.000 -0.901 0.000 0.984 1424 Q CA 1.243 56.496 55.803 -0.916 0.000 0.869 1424 Q CB -0.359 27.488 28.738 -1.485 0.000 0.906 1424 Q HN 0.278 nan 8.270 nan 0.000 0.426 1425 L N 0.969 121.728 121.223 -0.774 0.000 2.007 1425 L HA -0.119 4.222 4.340 0.002 0.000 0.205 1425 L C 1.973 178.715 176.870 -0.213 0.000 1.073 1425 L CA 1.837 56.434 54.840 -0.404 0.000 0.744 1425 L CB -0.367 41.554 42.059 -0.230 0.000 0.898 1425 L HN 0.049 nan 8.230 nan 0.000 0.435 1426 E N -0.442 119.643 120.200 -0.191 0.000 2.268 1426 E HA -0.178 4.173 4.350 0.002 0.000 0.195 1426 E C 2.080 178.613 176.600 -0.112 0.000 0.995 1426 E CA 0.652 56.982 56.400 -0.117 0.000 0.836 1426 E CB -0.195 29.446 29.700 -0.098 0.000 0.763 1426 E HN 0.429 nan 8.360 nan 0.000 0.491 1427 L N 0.999 122.122 121.223 -0.166 0.000 1.994 1427 L HA -0.181 4.160 4.340 0.002 0.000 0.208 1427 L C 1.898 178.716 176.870 -0.087 0.000 1.071 1427 L CA 1.841 56.600 54.840 -0.135 0.000 0.745 1427 L CB -0.366 41.578 42.059 -0.191 0.000 0.892 1427 L HN 0.122 nan 8.230 nan 0.000 0.431 1428 R N -0.118 120.326 120.500 -0.094 0.000 2.235 1428 R HA -0.072 4.270 4.340 0.002 0.000 0.213 1428 R C 2.197 178.487 176.300 -0.017 0.000 1.059 1428 R CA 0.539 56.623 56.100 -0.028 0.000 0.997 1428 R CB -0.234 30.084 30.300 0.029 0.000 0.884 1428 R HN 0.512 nan 8.270 nan 0.000 0.462 1429 R N -0.018 120.464 120.500 -0.030 0.000 2.073 1429 R HA -0.051 4.290 4.340 0.002 0.000 0.229 1429 R C 2.213 178.518 176.300 0.010 0.000 1.120 1429 R CA 0.836 56.930 56.100 -0.010 0.000 0.967 1429 R CB 0.038 30.328 30.300 -0.018 0.000 0.862 1429 R HN 0.148 nan 8.270 nan 0.000 0.436 1430 Q N 0.760 120.560 119.800 -0.000 0.000 1.990 1430 Q HA -0.216 4.125 4.340 0.002 0.000 0.200 1430 Q C 2.017 178.042 176.000 0.041 0.000 0.980 1430 Q CA 1.472 57.285 55.803 0.016 0.000 0.832 1430 Q CB -0.323 28.415 28.738 -0.001 0.000 0.897 1430 Q HN 0.368 nan 8.270 nan 0.000 0.427 1431 Q N -0.013 119.804 119.800 0.029 0.000 2.242 1431 Q HA -0.193 4.148 4.340 0.002 0.000 0.211 1431 Q C 1.972 178.027 176.000 0.091 0.000 0.992 1431 Q CA 1.228 57.061 55.803 0.051 0.000 0.889 1431 Q CB -0.095 28.658 28.738 0.025 0.000 0.913 1431 Q HN 0.370 nan 8.270 nan 0.000 0.422 1432 I N -0.533 120.079 120.570 0.071 0.000 2.494 1432 I HA -0.195 3.977 4.170 0.002 0.000 0.250 1432 I C 2.361 178.597 176.117 0.198 0.000 1.112 1432 I CA 0.633 61.989 61.300 0.093 0.000 1.438 1432 I CB -0.147 37.858 38.000 0.008 0.000 1.111 1432 I HN 0.124 nan 8.210 nan 0.000 0.431 1433 K N 1.105 121.588 120.400 0.138 0.000 2.113 1433 K HA -0.282 4.039 4.320 0.002 0.000 0.208 1433 K C 2.127 178.827 176.600 0.167 0.000 1.047 1433 K CA 2.058 58.431 56.287 0.143 0.000 0.928 1433 K CB -0.046 32.505 32.500 0.084 0.000 0.716 1433 K HN 0.489 nan 8.250 nan 0.000 0.446 1434 Q N -1.122 118.773 119.800 0.157 0.000 2.187 1434 Q HA -0.172 4.170 4.340 0.002 0.000 0.199 1434 Q C 2.041 178.146 176.000 0.174 0.000 0.957 1434 Q CA 0.989 56.872 55.803 0.134 0.000 0.857 1434 Q CB -0.700 28.098 28.738 0.099 0.000 0.929 1434 Q HN 0.506 nan 8.270 nan 0.000 0.453 1435 W N 2.594 123.920 121.300 0.043 0.000 2.338 1435 W HA -0.178 4.483 4.660 0.002 0.000 0.304 1435 W C 2.181 178.743 176.519 0.071 0.000 1.212 1435 W CA 2.039 59.410 57.345 0.043 0.000 1.264 1435 W CB 0.080 29.554 29.460 0.024 0.000 1.142 1435 W HN 0.090 nan 8.180 nan 0.000 0.512 1436 K N 0.394 121.037 120.400 0.405 0.000 2.020 1436 K HA -0.278 4.044 4.320 0.002 0.000 0.212 1436 K C 1.932 178.629 176.600 0.163 0.000 1.050 1436 K CA 2.373 58.836 56.287 0.292 0.000 0.929 1436 K CB -0.413 32.317 32.500 0.382 0.000 0.714 1436 K HN 0.243 nan 8.250 nan 0.000 0.443 1437 E N -0.011 120.286 120.200 0.162 0.000 2.017 1437 E HA -0.198 4.153 4.350 0.002 0.000 0.193 1437 E C 2.057 178.691 176.600 0.058 0.000 0.997 1437 E CA 1.445 57.928 56.400 0.139 0.000 0.804 1437 E CB -0.231 29.495 29.700 0.044 0.000 0.757 1437 E HN 0.293 nan 8.360 nan 0.000 0.448 1438 S N 0.656 116.327 115.700 -0.048 0.000 2.407 1438 S HA -0.286 4.185 4.470 0.002 0.000 0.235 1438 S C 1.954 176.436 174.600 -0.196 0.000 1.036 1438 S CA 1.908 60.045 58.200 -0.104 0.000 1.013 1438 S CB -0.125 63.005 63.200 -0.116 0.000 0.820 1438 S HN 0.186 nan 8.310 nan 0.000 0.476 1439 E N -0.530 119.413 120.200 -0.429 0.000 2.170 1439 E HA 0.034 4.385 4.350 0.002 0.000 0.191 1439 E C 1.542 177.992 176.600 -0.251 0.000 0.981 1439 E CA 0.973 57.060 56.400 -0.521 0.000 0.830 1439 E CB -0.470 28.564 29.700 -1.111 0.000 0.775 1439 E HN 0.756 nan 8.360 nan 0.000 0.470 1440 Y N 0.057 120.253 120.300 -0.174 0.000 2.207 1440 Y HA -0.186 4.365 4.550 0.002 0.000 0.287 1440 Y C 2.103 177.978 175.900 -0.043 0.000 1.156 1440 Y CA 1.392 59.448 58.100 -0.074 0.000 1.182 1440 Y CB -0.280 38.148 38.460 -0.054 0.000 0.979 1440 Y HN 0.161 nan 8.280 nan 0.000 0.521 1441 L N -1.023 120.264 121.223 0.106 0.000 1.955 1441 L HA -0.273 4.068 4.340 0.002 0.000 0.213 1441 L C 2.255 179.146 176.870 0.035 0.000 1.072 1441 L CA 1.847 56.717 54.840 0.050 0.000 0.755 1441 L CB -0.981 41.094 42.059 0.026 0.000 0.888 1441 L HN 0.271 nan 8.230 nan 0.000 0.432 1442 Y N -0.591 119.659 120.300 -0.083 0.000 2.151 1442 Y HA -0.299 4.252 4.550 0.002 0.000 0.284 1442 Y C 2.249 178.105 175.900 -0.073 0.000 1.166 1442 Y CA 2.007 60.056 58.100 -0.085 0.000 1.163 1442 Y CB -0.006 38.384 38.460 -0.116 0.000 0.974 1442 Y HN 0.320 nan 8.280 nan 0.000 0.511 1443 L N 0.033 121.340 121.223 0.140 0.000 2.554 1443 L HA -0.054 4.288 4.340 0.002 0.000 0.226 1443 L C 2.003 178.899 176.870 0.045 0.000 1.137 1443 L CA 0.961 55.855 54.840 0.090 0.000 0.863 1443 L CB -0.264 41.799 42.059 0.006 0.000 0.985 1443 L HN 0.239 nan 8.230 nan 0.000 0.451 1444 Q N -0.220 119.593 119.800 0.022 0.000 2.134 1444 Q HA -0.108 4.233 4.340 0.002 0.000 0.195 1444 Q C 1.926 177.895 176.000 -0.052 0.000 0.958 1444 Q CA 1.599 57.405 55.803 0.005 0.000 0.840 1444 Q CB 0.023 28.776 28.738 0.024 0.000 0.918 1444 Q HN 0.564 nan 8.270 nan 0.000 0.467 1445 E N 0.445 120.588 120.200 -0.094 0.000 2.051 1445 E HA -0.233 4.118 4.350 0.002 0.000 0.192 1445 E C 1.809 178.310 176.600 -0.164 0.000 0.991 1445 E CA 1.236 57.550 56.400 -0.145 0.000 0.799 1445 E CB -0.186 29.385 29.700 -0.215 0.000 0.748 1445 E HN 0.540 nan 8.360 nan 0.000 0.449 1446 E N 1.254 121.350 120.200 -0.173 0.000 2.204 1446 E HA -0.170 4.181 4.350 0.002 0.000 0.195 1446 E C 2.055 178.543 176.600 -0.187 0.000 0.990 1446 E CA 0.821 57.129 56.400 -0.153 0.000 0.821 1446 E CB 0.168 29.835 29.700 -0.054 0.000 0.750 1446 E HN 0.046 nan 8.360 nan 0.000 0.477 1447 V N 1.525 121.342 119.914 -0.163 0.000 2.223 1447 V HA -0.289 3.833 4.120 0.002 0.000 0.244 1447 V C 2.569 178.516 176.094 -0.244 0.000 1.045 1447 V CA 2.101 64.256 62.300 -0.242 0.000 1.000 1447 V CB -0.980 30.766 31.823 -0.128 0.000 0.635 1447 V HN 0.482 nan 8.190 nan 0.000 0.445 1448 A N -0.255 122.470 122.820 -0.158 0.000 1.972 1448 A HA -0.089 4.232 4.320 0.002 0.000 0.219 1448 A C 2.325 179.825 177.584 -0.141 0.000 1.169 1448 A CA 1.980 53.938 52.037 -0.132 0.000 0.635 1448 A CB -0.723 18.221 19.000 -0.093 0.000 0.810 1448 A HN 0.625 nan 8.150 nan 0.000 0.446 1449 A N -0.288 122.439 122.820 -0.156 0.000 2.015 1449 A HA 0.031 4.352 4.320 0.002 0.000 0.219 1449 A C 1.896 179.387 177.584 -0.155 0.000 1.163 1449 A CA 1.367 53.319 52.037 -0.143 0.000 0.646 1449 A CB -0.496 18.416 19.000 -0.147 0.000 0.806 1449 A HN 0.528 nan 8.150 nan 0.000 0.448 1450 I N -1.105 119.328 120.570 -0.229 0.000 3.603 1450 I HA -0.082 4.089 4.170 0.002 0.000 0.297 1450 I C 1.917 177.905 176.117 -0.214 0.000 1.269 1450 I CA 0.466 61.605 61.300 -0.269 0.000 1.361 1450 I CB -0.044 37.647 38.000 -0.514 0.000 1.063 1450 I HN 0.214 nan 8.210 nan 0.000 0.448 1451 K N 1.099 121.388 120.400 -0.185 0.000 2.103 1451 K HA -0.062 4.259 4.320 0.002 0.000 0.204 1451 K C 2.056 178.624 176.600 -0.053 0.000 1.052 1451 K CA 1.694 57.923 56.287 -0.098 0.000 0.945 1451 K CB -0.192 32.255 32.500 -0.089 0.000 0.722 1451 K HN 0.319 nan 8.250 nan 0.000 0.443 1452 S N 0.886 116.548 115.700 -0.063 0.000 2.603 1452 S HA -0.025 4.446 4.470 0.002 0.000 0.220 1452 S C 1.268 175.849 174.600 -0.031 0.000 0.967 1452 S CA 0.222 58.397 58.200 -0.042 0.000 0.920 1452 S CB 0.009 63.181 63.200 -0.047 0.000 0.773 1452 S HN 0.276 nan 8.310 nan 0.000 0.529 1453 Q N 0.550 120.330 119.800 -0.033 0.000 2.188 1453 Q HA 0.305 4.646 4.340 0.002 0.000 0.212 1453 Q C 0.147 176.154 176.000 0.011 0.000 0.846 1453 Q CA -0.174 55.620 55.803 -0.015 0.000 0.989 1453 Q CB 0.419 29.144 28.738 -0.023 0.000 1.114 1453 Q HN 0.334 nan 8.270 nan 0.000 0.488 1454 R N 0.966 121.476 120.500 0.017 0.000 2.198 1454 R HA 0.331 4.673 4.340 0.002 0.000 0.339 1454 R C -0.654 175.662 176.300 0.027 0.000 1.020 1454 R CA -0.019 56.108 56.100 0.045 0.000 0.864 1454 R CB 0.873 31.213 30.300 0.066 0.000 1.105 1454 R HN 0.057 nan 8.270 nan 0.000 0.463 1455 S N 2.396 118.112 115.700 0.026 0.000 2.614 1455 S HA 0.026 4.497 4.470 0.002 0.000 0.265 1455 S C 0.625 175.233 174.600 0.012 0.000 1.303 1455 S CA -0.539 57.669 58.200 0.014 0.000 1.000 1455 S CB 1.141 64.348 63.200 0.011 0.000 0.935 1455 S HN 0.584 nan 8.310 nan 0.000 0.551 1456 E N 0.696 120.899 120.200 0.006 0.000 2.442 1456 E HA -0.025 4.326 4.350 0.002 0.000 0.195 1456 E C 1.246 177.845 176.600 -0.002 0.000 1.030 1456 E CA 0.377 56.779 56.400 0.003 0.000 0.869 1456 E CB -0.019 29.682 29.700 0.001 0.000 0.857 1456 E HN 0.725 nan 8.360 nan 0.000 0.505 1457 E N 0.413 120.612 120.200 -0.002 0.000 2.442 1457 E HA 0.030 4.382 4.350 0.002 0.000 0.195 1457 E C -0.137 176.456 176.600 -0.012 0.000 1.030 1457 E CA 0.144 56.540 56.400 -0.007 0.000 0.869 1457 E CB 0.156 29.853 29.700 -0.005 0.000 0.857 1457 E HN 0.061 nan 8.360 nan 0.000 0.505 1458 D N 1.574 121.968 120.400 -0.009 0.000 2.255 1458 D HA 0.232 4.874 4.640 0.002 0.000 0.249 1458 D C 0.341 176.615 176.300 -0.043 0.000 1.078 1458 D CA -0.165 53.822 54.000 -0.020 0.000 0.896 1458 D CB 1.233 42.035 40.800 0.004 0.000 1.194 1458 D HN 0.155 nan 8.370 nan 0.000 0.429 1459 G N 1.717 110.465 108.800 -0.086 0.000 2.398 1459 G HA2 0.326 4.287 3.960 0.002 0.000 0.246 1459 G HA3 0.326 4.287 3.960 0.002 0.000 0.246 1459 G C -2.071 172.730 174.900 -0.165 0.000 1.289 1459 G CA -0.699 44.330 45.100 -0.119 0.000 0.869 1459 G HN 0.249 nan 8.290 nan 0.000 0.543 1460 P HA 0.098 nan 4.420 nan 0.000 0.267 1460 P C -0.581 176.643 177.300 -0.127 0.000 1.201 1460 P CA 0.072 63.142 63.100 -0.050 0.000 0.775 1460 P CB 0.398 32.089 31.700 -0.014 0.000 0.854 1461 F N 1.216 121.151 119.950 -0.024 0.000 2.410 1461 F HA 0.130 4.658 4.527 0.002 0.000 0.349 1461 F C 0.712 176.513 175.800 0.001 0.000 1.117 1461 F CA -0.259 57.727 58.000 -0.023 0.000 1.104 1461 F CB 0.660 39.604 39.000 -0.093 0.000 1.122 1461 F HN 0.176 nan 8.300 nan 0.000 0.483 1462 D N 4.631 125.146 120.400 0.192 0.000 2.383 1462 D HA 0.021 4.663 4.640 0.002 0.000 0.245 1462 D C 1.052 177.480 176.300 0.212 0.000 1.263 1462 D CA 0.234 54.327 54.000 0.155 0.000 0.936 1462 D CB 0.544 41.411 40.800 0.113 0.000 1.053 1462 D HN 0.667 nan 8.370 nan 0.000 0.507 1463 E N 0.848 121.144 120.200 0.160 0.000 2.058 1463 E HA -0.172 4.179 4.350 0.002 0.000 0.194 1463 E C 1.433 178.122 176.600 0.149 0.000 0.997 1463 E CA 1.425 57.907 56.400 0.137 0.000 0.801 1463 E CB 0.127 29.868 29.700 0.069 0.000 0.746 1463 E HN 0.415 nan 8.360 nan 0.000 0.450 1464 T N 1.108 115.728 114.554 0.111 0.000 2.699 1464 T HA -0.233 4.118 4.350 0.002 0.000 0.268 1464 T C 1.950 176.714 174.700 0.106 0.000 1.036 1464 T CA 1.412 63.568 62.100 0.093 0.000 1.147 1464 T CB -0.321 68.588 68.868 0.069 0.000 0.862 1464 T HN 0.268 nan 8.240 nan 0.000 0.446 1465 A N 0.777 123.671 122.820 0.123 0.000 1.825 1465 A HA -0.036 4.285 4.320 0.002 0.000 0.214 1465 A C 2.093 179.765 177.584 0.147 0.000 1.206 1465 A CA 1.554 53.662 52.037 0.118 0.000 0.609 1465 A CB -1.401 17.669 19.000 0.117 0.000 0.851 1465 A HN 0.520 nan 8.150 nan 0.000 0.445 1466 Y N 0.492 120.851 120.300 0.098 0.000 2.139 1466 Y HA -0.262 4.289 4.550 0.002 0.000 0.282 1466 Y C 2.127 178.056 175.900 0.048 0.000 1.179 1466 Y CA 2.076 60.235 58.100 0.097 0.000 1.161 1466 Y CB -0.188 38.363 38.460 0.152 0.000 0.970 1466 Y HN 0.237 nan 8.280 nan 0.000 0.511 1467 L N -0.592 120.797 121.223 0.277 0.000 2.027 1467 L HA -0.238 4.103 4.340 0.002 0.000 0.206 1467 L C 2.652 179.570 176.870 0.081 0.000 1.074 1467 L CA 1.434 56.381 54.840 0.178 0.000 0.745 1467 L CB -0.583 41.566 42.059 0.149 0.000 0.898 1467 L HN 0.221 nan 8.230 nan 0.000 0.433 1468 R N 0.197 120.741 120.500 0.073 0.000 2.148 1468 R HA -0.226 4.115 4.340 0.002 0.000 0.230 1468 R C 2.160 178.471 176.300 0.017 0.000 1.120 1468 R CA 2.023 58.153 56.100 0.050 0.000 0.902 1468 R CB -0.482 29.847 30.300 0.049 0.000 0.839 1468 R HN 0.379 nan 8.270 nan 0.000 0.431 1469 E N -0.184 120.006 120.200 -0.017 0.000 2.108 1469 E HA -0.263 4.088 4.350 0.002 0.000 0.203 1469 E C 2.157 178.723 176.600 -0.057 0.000 1.022 1469 E CA 1.248 57.620 56.400 -0.046 0.000 0.823 1469 E CB -0.086 29.554 29.700 -0.100 0.000 0.744 1469 E HN 0.196 nan 8.360 nan 0.000 0.456 1470 R N -0.038 120.378 120.500 -0.141 0.000 2.092 1470 R HA -0.068 4.274 4.340 0.002 0.000 0.231 1470 R C 2.620 178.880 176.300 -0.066 0.000 1.119 1470 R CA 1.737 57.740 56.100 -0.161 0.000 0.970 1470 R CB -1.114 29.048 30.300 -0.230 0.000 0.864 1470 R HN 0.396 nan 8.270 nan 0.000 0.440 1471 T N -0.711 113.825 114.554 -0.030 0.000 2.668 1471 T HA -0.094 4.257 4.350 0.002 0.000 0.262 1471 T C 1.664 176.382 174.700 0.029 0.000 1.045 1471 T CA 1.045 63.128 62.100 -0.028 0.000 1.152 1471 T CB -0.365 68.574 68.868 0.118 0.000 0.864 1471 T HN 0.277 nan 8.240 nan 0.000 0.419 1472 E N 0.648 120.884 120.200 0.059 0.000 2.136 1472 E HA -0.309 4.042 4.350 0.002 0.000 0.202 1472 E C 2.242 178.879 176.600 0.062 0.000 1.019 1472 E CA 1.648 58.085 56.400 0.062 0.000 0.819 1472 E CB -0.420 29.310 29.700 0.049 0.000 0.739 1472 E HN 0.627 nan 8.360 nan 0.000 0.458 1473 H N 0.984 120.036 119.070 -0.030 0.000 2.357 1473 H HA -0.064 4.494 4.556 0.002 0.000 0.301 1473 H C 2.021 177.351 175.328 0.003 0.000 1.082 1473 H CA 1.435 57.468 56.048 -0.024 0.000 1.342 1473 H CB -0.053 29.678 29.762 -0.052 0.000 1.389 1473 H HN 0.166 nan 8.280 nan 0.000 0.511 1474 I N 0.797 121.477 120.570 0.184 0.000 2.394 1474 I HA -0.195 3.976 4.170 0.002 0.000 0.251 1474 I C 2.532 178.724 176.117 0.125 0.000 1.136 1474 I CA 0.822 62.206 61.300 0.141 0.000 1.425 1474 I CB -0.194 37.676 38.000 -0.217 0.000 1.079 1474 I HN 0.190 nan 8.210 nan 0.000 0.425 1475 E N 1.214 121.461 120.200 0.079 0.000 2.017 1475 E HA -0.194 4.157 4.350 0.002 0.000 0.193 1475 E C 2.273 178.898 176.600 0.042 0.000 0.997 1475 E CA 1.249 57.709 56.400 0.100 0.000 0.804 1475 E CB -0.321 29.439 29.700 0.099 0.000 0.757 1475 E HN 0.446 nan 8.360 nan 0.000 0.448 1476 R N 0.535 121.022 120.500 -0.022 0.000 2.115 1476 R HA -0.207 4.134 4.340 0.002 0.000 0.239 1476 R C 2.379 178.612 176.300 -0.112 0.000 1.133 1476 R CA 1.787 57.840 56.100 -0.079 0.000 0.935 1476 R CB -0.391 29.824 30.300 -0.141 0.000 0.853 1476 R HN 0.077 nan 8.270 nan 0.000 0.433 1477 E N 0.373 120.463 120.200 -0.184 0.000 2.209 1477 E HA -0.164 4.188 4.350 0.002 0.000 0.196 1477 E C 1.590 178.104 176.600 -0.145 0.000 0.993 1477 E CA 1.394 57.683 56.400 -0.185 0.000 0.819 1477 E CB -0.072 29.540 29.700 -0.147 0.000 0.745 1477 E HN 0.402 nan 8.360 nan 0.000 0.477 1478 A N 0.560 123.379 122.820 -0.002 0.000 1.832 1478 A HA -0.140 4.182 4.320 0.002 0.000 0.214 1478 A C 2.189 179.753 177.584 -0.034 0.000 1.200 1478 A CA 1.591 53.643 52.037 0.025 0.000 0.610 1478 A CB -0.525 18.578 19.000 0.171 0.000 0.842 1478 A HN 0.204 nan 8.150 nan 0.000 0.444 1479 R N -0.900 119.595 120.500 -0.008 0.000 2.113 1479 R HA -0.184 4.157 4.340 0.002 0.000 0.244 1479 R C 2.558 178.828 176.300 -0.050 0.000 1.142 1479 R CA 1.842 57.932 56.100 -0.016 0.000 0.953 1479 R CB -0.383 29.914 30.300 -0.005 0.000 0.860 1479 R HN 0.526 nan 8.270 nan 0.000 0.438 1480 R N 0.482 120.935 120.500 -0.079 0.000 2.094 1480 R HA -0.235 4.106 4.340 0.002 0.000 0.239 1480 R C 2.266 178.497 176.300 -0.115 0.000 1.137 1480 R CA 1.934 57.975 56.100 -0.099 0.000 0.943 1480 R CB -0.139 30.084 30.300 -0.128 0.000 0.850 1480 R HN 0.106 nan 8.270 nan 0.000 0.433 1481 Q N 0.537 120.240 119.800 -0.162 0.000 2.170 1481 Q HA -0.132 4.210 4.340 0.002 0.000 0.203 1481 Q C 1.662 177.593 176.000 -0.114 0.000 0.976 1481 Q CA 1.573 57.264 55.803 -0.188 0.000 0.858 1481 Q CB 0.009 28.553 28.738 -0.324 0.000 0.907 1481 Q HN 0.364 nan 8.270 nan 0.000 0.433 1482 E N -0.746 119.407 120.200 -0.078 0.000 2.001 1482 E HA -0.197 4.154 4.350 0.002 0.000 0.195 1482 E C 1.811 178.396 176.600 -0.024 0.000 1.002 1482 E CA 1.072 57.451 56.400 -0.035 0.000 0.819 1482 E CB -0.270 29.421 29.700 -0.014 0.000 0.769 1482 E HN 0.408 nan 8.360 nan 0.000 0.454 1483 A N 1.486 124.290 122.820 -0.027 0.000 1.997 1483 A HA -0.267 4.054 4.320 0.002 0.000 0.221 1483 A C 1.911 179.475 177.584 -0.033 0.000 1.172 1483 A CA 1.725 53.749 52.037 -0.022 0.000 0.645 1483 A CB -0.555 18.431 19.000 -0.024 0.000 0.813 1483 A HN 0.274 nan 8.150 nan 0.000 0.454 1484 E N -0.589 119.579 120.200 -0.054 0.000 2.072 1484 E HA -0.106 4.245 4.350 0.002 0.000 0.191 1484 E C 2.352 178.916 176.600 -0.059 0.000 0.985 1484 E CA 0.959 57.316 56.400 -0.071 0.000 0.801 1484 E CB -0.260 29.383 29.700 -0.095 0.000 0.750 1484 E HN 0.644 nan 8.360 nan 0.000 0.452 1485 A N 1.153 123.959 122.820 -0.023 0.000 1.968 1485 A HA -0.211 4.110 4.320 0.002 0.000 0.217 1485 A C 2.069 179.723 177.584 0.118 0.000 1.169 1485 A CA 1.175 53.244 52.037 0.054 0.000 0.638 1485 A CB -0.385 18.673 19.000 0.098 0.000 0.812 1485 A HN 0.169 nan 8.150 nan 0.000 0.446 1486 Q N -0.802 119.036 119.800 0.063 0.000 2.096 1486 Q HA -0.167 4.174 4.340 0.002 0.000 0.204 1486 Q C 2.092 178.116 176.000 0.040 0.000 0.982 1486 Q CA 2.077 57.917 55.803 0.062 0.000 0.850 1486 Q CB -0.259 28.492 28.738 0.023 0.000 0.901 1486 Q HN 0.625 nan 8.270 nan 0.000 0.422 1487 T N 0.224 114.770 114.554 -0.014 0.000 2.652 1487 T HA -0.157 4.194 4.350 0.002 0.000 0.267 1487 T C 1.795 176.445 174.700 -0.083 0.000 1.039 1487 T CA 1.712 63.778 62.100 -0.056 0.000 1.153 1487 T CB -0.278 68.536 68.868 -0.090 0.000 0.863 1487 T HN 0.501 nan 8.240 nan 0.000 0.428 1488 S N -0.227 115.385 115.700 -0.147 0.000 2.561 1488 S HA 0.134 4.605 4.470 0.002 0.000 0.225 1488 S C 1.284 175.634 174.600 -0.416 0.000 0.977 1488 S CA 0.389 58.397 58.200 -0.320 0.000 0.926 1488 S CB -0.450 62.469 63.200 -0.468 0.000 0.769 1488 S HN 0.535 nan 8.310 nan 0.000 0.533 1489 F N 0.254 120.233 119.950 0.048 0.000 2.767 1489 F HA 0.441 4.969 4.527 0.002 0.000 0.323 1489 F C 2.045 177.879 175.800 0.055 0.000 1.091 1489 F CA -0.162 57.859 58.000 0.035 0.000 1.192 1489 F CB 0.826 39.796 39.000 -0.049 0.000 1.056 1489 F HN 0.367 nan 8.300 nan 0.000 0.571 1490 G N -0.407 108.549 108.800 0.259 0.000 2.906 1490 G HA2 -0.001 3.960 3.960 0.002 0.000 0.200 1490 G HA3 -0.001 3.960 3.960 0.002 0.000 0.200 1490 G C 1.190 176.255 174.900 0.276 0.000 1.101 1490 G CA 0.089 45.315 45.100 0.211 0.000 0.760 1490 G HN 0.054 nan 8.290 nan 0.000 0.694 1491 N N 0.888 119.647 118.700 0.099 0.000 2.182 1491 N HA -0.015 4.726 4.740 0.002 0.000 0.186 1491 N C 1.016 176.415 175.510 -0.185 0.000 1.036 1491 N CA 0.862 53.914 53.050 0.003 0.000 0.850 1491 N CB 0.195 38.654 38.487 -0.046 0.000 1.010 1491 N HN 0.273 nan 8.380 nan 0.000 0.432 1492 E N 0.702 120.716 120.200 -0.310 0.000 2.499 1492 E HA 0.048 4.400 4.350 0.002 0.000 0.199 1492 E C 0.560 176.778 176.600 -0.635 0.000 1.016 1492 E CA -0.280 55.715 56.400 -0.674 0.000 0.933 1492 E CB -0.006 29.417 29.700 -0.462 0.000 1.050 1492 E HN 0.399 nan 8.360 nan 0.000 0.462 1493 F N -0.083 119.676 119.950 -0.319 0.000 2.451 1493 F HA -0.069 4.459 4.527 0.002 0.000 0.299 1493 F C 1.563 177.340 175.800 -0.038 0.000 1.101 1493 F CA 0.149 58.063 58.000 -0.142 0.000 1.436 1493 F CB -0.530 38.492 39.000 0.035 0.000 1.074 1493 F HN 0.125 nan 8.300 nan 0.000 0.553 1494 W N 1.438 122.363 121.300 -0.624 0.000 3.316 1494 W HA 0.349 5.010 4.660 0.002 0.000 0.327 1494 W C 0.410 176.814 176.519 -0.191 0.000 1.232 1494 W CA -0.700 56.417 57.345 -0.379 0.000 1.805 1494 W CB -1.040 28.089 29.460 -0.552 0.000 1.090 1494 W HN -0.012 nan 8.180 nan 0.000 0.654 1495 R N 3.131 123.359 120.500 -0.453 0.000 2.435 1495 R HA -0.008 4.333 4.340 0.002 0.000 0.325 1495 R C 0.898 177.122 176.300 -0.127 0.000 1.149 1495 R CA 0.397 56.269 56.100 -0.380 0.000 0.995 1495 R CB -0.261 29.765 30.300 -0.458 0.000 1.008 1495 R HN 0.283 nan 8.270 nan 0.000 0.470 1496 R N 2.080 122.571 120.500 -0.015 0.000 3.862 1496 R HA -0.174 4.167 4.340 0.002 0.000 0.398 1496 R C -1.010 175.310 176.300 0.034 0.000 1.110 1496 R CA 1.075 57.181 56.100 0.010 0.000 1.010 1496 R CB -1.219 29.065 30.300 -0.026 0.000 1.613 1496 R HN 0.700 nan 8.270 nan 0.000 0.530 1497 D N 0.077 120.518 120.400 0.068 0.000 2.338 1497 D HA 0.068 4.709 4.640 0.002 0.000 0.255 1497 D C 0.950 177.300 176.300 0.083 0.000 1.237 1497 D CA 0.835 54.885 54.000 0.084 0.000 0.883 1497 D CB 1.481 42.359 40.800 0.131 0.000 1.087 1497 D HN 0.215 nan 8.370 nan 0.000 0.485 1498 S N 4.000 119.738 115.700 0.063 0.000 2.462 1498 S HA -0.156 4.315 4.470 0.002 0.000 0.243 1498 S C 1.275 175.914 174.600 0.065 0.000 1.003 1498 S CA 1.051 59.285 58.200 0.057 0.000 0.970 1498 S CB 0.035 63.262 63.200 0.045 0.000 0.762 1498 S HN 0.542 nan 8.310 nan 0.000 0.510 1499 R N -0.089 120.456 120.500 0.075 0.000 2.468 1499 R HA 0.434 4.775 4.340 0.002 0.000 0.280 1499 R C -0.498 175.853 176.300 0.085 0.000 0.963 1499 R CA 0.058 56.201 56.100 0.073 0.000 1.083 1499 R CB 0.432 30.773 30.300 0.069 0.000 1.200 1499 R HN 0.380 nan 8.270 nan 0.000 0.541 1500 I N 1.150 121.779 120.570 0.098 0.000 2.529 1500 I HA 0.272 4.443 4.170 0.002 0.000 0.284 1500 I C -0.343 175.813 176.117 0.065 0.000 1.088 1500 I CA -0.947 60.412 61.300 0.098 0.000 1.062 1500 I CB 1.962 40.063 38.000 0.167 0.000 1.218 1500 I HN -0.011 nan 8.210 nan 0.000 0.442 1501 A N 7.878 130.713 122.820 0.024 0.000 2.511 1501 A HA 0.329 4.651 4.320 0.002 0.000 0.242 1501 A C -1.731 175.784 177.584 -0.115 0.000 1.069 1501 A CA -0.828 51.202 52.037 -0.012 0.000 0.763 1501 A CB -0.115 18.883 19.000 -0.005 0.000 1.001 1501 A HN 0.543 nan 8.150 nan 0.000 0.498 1502 P HA -0.171 nan 4.420 nan 0.000 0.217 1502 P C 1.476 178.424 177.300 -0.587 0.000 1.148 1502 P CA 0.877 63.781 63.100 -0.327 0.000 0.828 1502 P CB 0.084 31.721 31.700 -0.105 0.000 0.783 1503 L N -1.381 119.642 121.223 -0.335 0.000 1.994 1503 L HA -0.197 4.145 4.340 0.002 0.000 0.208 1503 L C 2.778 179.459 176.870 -0.316 0.000 1.071 1503 L CA 1.546 56.204 54.840 -0.303 0.000 0.745 1503 L CB -0.447 41.502 42.059 -0.184 0.000 0.892 1503 L HN -0.110 nan 8.230 nan 0.000 0.431 1504 R N -0.026 120.332 120.500 -0.236 0.000 2.122 1504 R HA -0.184 4.157 4.340 0.002 0.000 0.236 1504 R C 2.052 178.183 176.300 -0.282 0.000 1.129 1504 R CA 1.721 57.718 56.100 -0.171 0.000 0.925 1504 R CB -1.438 28.814 30.300 -0.080 0.000 0.850 1504 R HN 0.502 nan 8.270 nan 0.000 0.431 1505 G N 0.397 108.893 108.800 -0.508 0.000 2.721 1505 G HA2 -0.347 3.614 3.960 0.002 0.000 0.218 1505 G HA3 -0.347 3.614 3.960 0.002 0.000 0.218 1505 G C 1.557 175.768 174.900 -1.148 0.000 1.265 1505 G CA 2.090 46.579 45.100 -1.018 0.000 0.796 1505 G HN 0.527 nan 8.290 nan 0.000 0.620 1506 A N 0.088 122.000 122.820 -1.514 0.000 1.958 1506 A HA -0.075 4.246 4.320 0.002 0.000 0.221 1506 A C 2.538 180.045 177.584 -0.129 0.000 1.178 1506 A CA 1.865 53.509 52.037 -0.654 0.000 0.642 1506 A CB -0.461 18.217 19.000 -0.538 0.000 0.816 1506 A HN 0.411 nan 8.150 nan 0.000 0.453 1507 L N -1.383 119.737 121.223 -0.172 0.000 2.023 1507 L HA -0.132 4.210 4.340 0.002 0.000 0.205 1507 L C 3.124 180.066 176.870 0.121 0.000 1.073 1507 L CA 1.025 55.862 54.840 -0.005 0.000 0.745 1507 L CB -0.566 41.451 42.059 -0.071 0.000 0.900 1507 L HN 0.446 nan 8.230 nan 0.000 0.435 1508 A N -0.233 122.644 122.820 0.094 0.000 1.978 1508 A HA -0.240 4.081 4.320 0.002 0.000 0.220 1508 A C 2.299 180.053 177.584 0.283 0.000 1.170 1508 A CA 2.094 54.254 52.037 0.205 0.000 0.636 1508 A CB -0.974 18.184 19.000 0.263 0.000 0.810 1508 A HN 0.531 nan 8.150 nan 0.000 0.448 1509 T N -4.721 110.019 114.554 0.310 0.000 3.077 1509 T HA -0.135 4.217 4.350 0.002 0.000 0.269 1509 T C 0.921 175.515 174.700 -0.177 0.000 1.146 1509 T CA 1.190 63.422 62.100 0.219 0.000 1.091 1509 T CB -0.520 68.449 68.868 0.169 0.000 0.892 1509 T HN 0.637 nan 8.240 nan 0.000 0.533 1510 W N 0.377 121.794 121.300 0.195 0.000 2.862 1510 W HA 0.563 5.224 4.660 0.002 0.000 0.376 1510 W C 1.314 177.984 176.519 0.252 0.000 1.028 1510 W CA -0.397 57.074 57.345 0.209 0.000 1.757 1510 W CB 0.376 29.927 29.460 0.151 0.000 1.128 1510 W HN 0.325 nan 8.180 nan 0.000 0.566 1511 G N 1.760 110.750 108.800 0.316 0.000 2.248 1511 G HA2 -0.235 3.726 3.960 0.002 0.000 0.252 1511 G HA3 -0.235 3.726 3.960 0.002 0.000 0.252 1511 G C -0.747 174.302 174.900 0.248 0.000 1.085 1511 G CA -0.303 44.942 45.100 0.241 0.000 0.845 1511 G HN 0.182 nan 8.290 nan 0.000 0.494 1512 L N -0.221 121.125 121.223 0.205 0.000 2.393 1512 L HA 0.850 5.191 4.340 0.002 0.000 0.260 1512 L C 0.620 177.545 176.870 0.091 0.000 1.002 1512 L CA -0.615 54.312 54.840 0.145 0.000 0.818 1512 L CB 2.501 44.613 42.059 0.089 0.000 1.369 1512 L HN 0.362 nan 8.230 nan 0.000 0.412 1513 T N -2.875 111.721 114.554 0.071 0.000 2.905 1513 T HA 0.518 4.870 4.350 0.002 0.000 0.283 1513 T C 1.181 175.892 174.700 0.018 0.000 1.031 1513 T CA -0.796 61.330 62.100 0.044 0.000 1.002 1513 T CB 1.131 70.033 68.868 0.057 0.000 1.200 1513 T HN 0.445 nan 8.240 nan 0.000 0.560 1514 I N -0.036 120.534 120.570 -0.001 0.000 2.423 1514 I HA -0.123 4.049 4.170 0.002 0.000 0.254 1514 I C 1.587 177.702 176.117 -0.002 0.000 1.151 1514 I CA 1.175 62.462 61.300 -0.021 0.000 1.421 1514 I CB -0.674 37.304 38.000 -0.037 0.000 1.079 1514 I HN 0.481 nan 8.210 nan 0.000 0.431 1515 D N 1.078 121.494 120.400 0.028 0.000 2.264 1515 D HA -0.133 4.509 4.640 0.002 0.000 0.208 1515 D C 1.687 178.019 176.300 0.054 0.000 0.966 1515 D CA 1.000 55.023 54.000 0.039 0.000 0.864 1515 D CB -0.244 40.616 40.800 0.100 0.000 0.933 1515 D HN 0.448 nan 8.370 nan 0.000 0.499 1516 D N -0.038 120.395 120.400 0.054 0.000 2.323 1516 D HA -0.063 4.578 4.640 0.002 0.000 0.209 1516 D C 0.735 177.052 176.300 0.028 0.000 0.973 1516 D CA -0.060 53.975 54.000 0.057 0.000 0.874 1516 D CB 0.405 41.237 40.800 0.053 0.000 0.930 1516 D HN 0.136 nan 8.370 nan 0.000 0.521 1517 L N 1.721 122.946 121.223 0.004 0.000 2.600 1517 L HA 0.134 4.476 4.340 0.002 0.000 0.278 1517 L C 1.318 178.212 176.870 0.041 0.000 1.139 1517 L CA 0.167 55.004 54.840 -0.005 0.000 0.933 1517 L CB 0.784 42.825 42.059 -0.030 0.000 1.266 1517 L HN -0.135 nan 8.230 nan 0.000 0.471 1518 G N 4.048 112.893 108.800 0.074 0.000 2.497 1518 G HA2 0.124 4.086 3.960 0.002 0.000 0.210 1518 G HA3 0.124 4.086 3.960 0.002 0.000 0.210 1518 G C 0.143 175.114 174.900 0.119 0.000 1.177 1518 G CA 0.139 45.306 45.100 0.112 0.000 0.822 1518 G HN 0.383 nan 8.290 nan 0.000 0.550 1519 V N 0.871 120.864 119.914 0.132 0.000 2.555 1519 V HA 0.726 4.848 4.120 0.002 0.000 0.302 1519 V C -0.363 175.808 176.094 0.128 0.000 1.038 1519 V CA -0.807 61.567 62.300 0.124 0.000 0.887 1519 V CB 1.530 33.422 31.823 0.115 0.000 0.991 1519 V HN 0.444 nan 8.190 nan 0.000 0.434 1520 A N 3.063 125.950 122.820 0.111 0.000 2.273 1520 A HA 0.686 5.007 4.320 0.002 0.000 0.315 1520 A C -0.031 177.604 177.584 0.085 0.000 1.256 1520 A CA -0.347 51.733 52.037 0.071 0.000 0.851 1520 A CB 1.221 20.242 19.000 0.036 0.000 1.172 1520 A HN 0.692 nan 8.150 nan 0.000 0.508 1521 S N 2.140 117.849 115.700 0.015 0.000 2.465 1521 S HA 0.614 5.085 4.470 0.002 0.000 0.279 1521 S C -0.716 173.891 174.600 0.011 0.000 1.201 1521 S CA -0.145 58.065 58.200 0.017 0.000 1.053 1521 S CB -0.390 62.796 63.200 -0.023 0.000 0.953 1521 S HN 0.374 nan 8.310 nan 0.000 0.488 1522 F N 3.262 123.134 119.950 -0.130 0.000 2.397 1522 F HA 0.367 4.895 4.527 0.002 0.000 0.331 1522 F C 1.447 177.361 175.800 0.190 0.000 1.090 1522 F CA -0.661 57.370 58.000 0.050 0.000 1.065 1522 F CB 0.884 39.928 39.000 0.073 0.000 1.184 1522 F HN 0.726 nan 8.300 nan 0.000 0.499 1523 H N 2.583 121.814 119.070 0.269 0.000 2.265 1523 H HA -0.032 4.525 4.556 0.002 0.000 0.295 1523 H C 1.439 176.912 175.328 0.242 0.000 1.084 1523 H CA 1.340 57.502 56.048 0.190 0.000 1.261 1523 H CB -0.618 29.283 29.762 0.231 0.000 1.360 1523 H HN 0.755 nan 8.280 nan 0.000 0.487 1524 G N 0.262 109.321 108.800 0.433 0.000 2.195 1524 G HA2 -0.269 3.692 3.960 0.002 0.000 0.256 1524 G HA3 -0.269 3.692 3.960 0.002 0.000 0.256 1524 G C 0.769 175.741 174.900 0.120 0.000 0.817 1524 G CA 0.917 46.234 45.100 0.361 0.000 1.235 1524 G HN 0.785 nan 8.290 nan 0.000 0.358 1525 T N -1.475 113.087 114.554 0.014 0.000 3.163 1525 T HA 0.477 4.828 4.350 0.002 0.000 0.252 1525 T C 1.393 176.148 174.700 0.092 0.000 1.056 1525 T CA 0.957 63.045 62.100 -0.020 0.000 0.947 1525 T CB 0.455 69.266 68.868 -0.094 0.000 1.016 1525 T HN 1.966 nan 8.240 nan 0.000 0.554 1526 S N 0.739 116.465 115.700 0.044 0.000 3.228 1526 S HA -0.195 4.276 4.470 0.002 0.000 0.282 1526 S C 0.484 175.108 174.600 0.041 0.000 1.286 1526 S CA 1.047 59.261 58.200 0.024 0.000 1.066 1526 S CB -2.269 60.963 63.200 0.053 0.000 1.277 1526 S HN 1.195 nan 8.310 nan 0.000 0.661 1527 T N -1.007 113.584 114.554 0.063 0.000 2.899 1527 T HA 0.650 5.001 4.350 0.002 0.000 0.284 1527 T C 1.577 176.282 174.700 0.009 0.000 1.004 1527 T CA -0.315 61.821 62.100 0.061 0.000 1.043 1527 T CB 1.490 70.414 68.868 0.094 0.000 1.013 1527 T HN 0.292 nan 8.240 nan 0.000 0.518 1528 V N 1.517 121.434 119.914 0.004 0.000 2.261 1528 V HA -0.096 4.025 4.120 0.002 0.000 0.246 1528 V C 3.006 179.088 176.094 -0.021 0.000 1.047 1528 V CA 2.127 64.418 62.300 -0.014 0.000 1.015 1528 V CB -1.697 30.120 31.823 -0.009 0.000 0.642 1528 V HN 1.073 nan 8.190 nan 0.000 0.446 1529 A N 0.470 123.276 122.820 -0.023 0.000 1.935 1529 A HA -0.122 4.200 4.320 0.002 0.000 0.214 1529 A C 2.042 179.583 177.584 -0.072 0.000 1.178 1529 A CA 1.400 53.414 52.037 -0.040 0.000 0.640 1529 A CB -0.815 18.160 19.000 -0.043 0.000 0.825 1529 A HN 0.596 nan 8.150 nan 0.000 0.447 1530 N N 0.122 118.777 118.700 -0.075 0.000 2.443 1530 N HA -0.144 4.598 4.740 0.002 0.000 0.184 1530 N C 0.767 176.229 175.510 -0.080 0.000 1.037 1530 N CA 1.672 54.651 53.050 -0.118 0.000 0.896 1530 N CB -0.066 38.396 38.487 -0.041 0.000 0.959 1530 N HN 0.421 nan 8.380 nan 0.000 0.442 1531 D N -0.662 119.712 120.400 -0.043 0.000 2.323 1531 D HA -0.010 4.631 4.640 0.002 0.000 0.218 1531 D C 1.490 177.759 176.300 -0.052 0.000 0.973 1531 D CA 0.321 54.307 54.000 -0.024 0.000 0.890 1531 D CB -0.010 40.737 40.800 -0.089 0.000 1.011 1531 D HN 0.238 nan 8.370 nan 0.000 0.499 1532 K N 0.978 121.352 120.400 -0.043 0.000 1.978 1532 K HA -0.177 4.145 4.320 0.002 0.000 0.214 1532 K C 1.910 178.468 176.600 -0.071 0.000 1.049 1532 K CA 1.218 57.503 56.287 -0.003 0.000 0.939 1532 K CB -0.197 32.335 32.500 0.054 0.000 0.721 1532 K HN -0.079 nan 8.250 nan 0.000 0.441 1533 N N 1.061 119.714 118.700 -0.079 0.000 2.049 1533 N HA -0.224 4.517 4.740 0.002 0.000 0.198 1533 N C 1.633 177.055 175.510 -0.147 0.000 1.030 1533 N CA 1.907 54.881 53.050 -0.127 0.000 0.870 1533 N CB -0.070 38.278 38.487 -0.233 0.000 1.045 1533 N HN 0.228 nan 8.380 nan 0.000 0.434 1534 E N -0.422 119.690 120.200 -0.147 0.000 2.023 1534 E HA -0.172 4.180 4.350 0.002 0.000 0.196 1534 E C 2.049 178.761 176.600 0.188 0.000 1.003 1534 E CA 1.493 57.913 56.400 0.034 0.000 0.809 1534 E CB -0.200 29.683 29.700 0.305 0.000 0.755 1534 E HN 0.372 nan 8.360 nan 0.000 0.449 1535 S N 1.041 116.853 115.700 0.186 0.000 2.359 1535 S HA -0.235 4.236 4.470 0.002 0.000 0.222 1535 S C 1.688 176.074 174.600 -0.356 0.000 1.038 1535 S CA 1.586 59.719 58.200 -0.111 0.000 1.051 1535 S CB -0.534 62.188 63.200 -0.796 0.000 0.944 1535 S HN 0.297 nan 8.310 nan 0.000 0.433 1536 D N 0.806 120.918 120.400 -0.480 0.000 2.149 1536 D HA -0.119 4.523 4.640 0.002 0.000 0.194 1536 D C 1.815 178.153 176.300 0.064 0.000 1.001 1536 D CA 1.052 55.060 54.000 0.014 0.000 0.849 1536 D CB -0.344 40.552 40.800 0.159 0.000 0.939 1536 D HN 0.220 nan 8.370 nan 0.000 0.449 1537 V N 0.483 120.414 119.914 0.029 0.000 2.255 1537 V HA -0.153 3.968 4.120 0.002 0.000 0.243 1537 V C 2.701 178.808 176.094 0.022 0.000 1.038 1537 V CA 1.157 63.486 62.300 0.048 0.000 1.008 1537 V CB -0.364 31.522 31.823 0.105 0.000 0.645 1537 V HN 0.246 nan 8.190 nan 0.000 0.449 1538 I N -0.653 119.921 120.570 0.006 0.000 2.315 1538 I HA -0.344 3.827 4.170 0.002 0.000 0.251 1538 I C 2.550 178.671 176.117 0.006 0.000 1.125 1538 I CA 1.532 62.813 61.300 -0.031 0.000 1.392 1538 I CB -0.181 37.753 38.000 -0.110 0.000 1.065 1538 I HN 0.492 nan 8.210 nan 0.000 0.424 1539 C N 0.458 119.797 119.300 0.065 0.000 2.496 1539 C HA -0.175 4.286 4.460 0.002 0.000 0.281 1539 C C 2.809 177.790 174.990 -0.014 0.000 1.250 1539 C CA 1.035 60.113 59.018 0.100 0.000 1.717 1539 C CB -0.952 26.978 27.740 0.317 0.000 2.082 1539 C HN 0.482 nan 8.230 nan 0.000 0.472 1540 Q N -0.157 119.669 119.800 0.043 0.000 2.133 1540 Q HA -0.306 4.036 4.340 0.002 0.000 0.208 1540 Q C 2.278 178.257 176.000 -0.035 0.000 0.991 1540 Q CA 2.054 57.863 55.803 0.011 0.000 0.867 1540 Q CB -0.350 28.403 28.738 0.025 0.000 0.911 1540 Q HN 0.741 nan 8.270 nan 0.000 0.417 1541 Q N 0.316 120.088 119.800 -0.046 0.000 1.985 1541 Q HA -0.203 4.139 4.340 0.002 0.000 0.207 1541 Q C 2.306 178.251 176.000 -0.090 0.000 0.996 1541 Q CA 1.464 57.232 55.803 -0.057 0.000 0.851 1541 Q CB -0.293 28.405 28.738 -0.068 0.000 0.921 1541 Q HN 0.414 nan 8.270 nan 0.000 0.418 1542 L N 0.704 121.825 121.223 -0.170 0.000 2.012 1542 L HA -0.256 4.086 4.340 0.002 0.000 0.210 1542 L C 2.702 179.331 176.870 -0.402 0.000 1.073 1542 L CA 1.358 56.032 54.840 -0.277 0.000 0.748 1542 L CB -0.621 41.228 42.059 -0.349 0.000 0.891 1542 L HN 0.269 nan 8.230 nan 0.000 0.431 1543 K N 0.114 120.192 120.400 -0.538 0.000 1.969 1543 K HA -0.307 4.014 4.320 0.002 0.000 0.216 1543 K C 2.200 178.720 176.600 -0.132 0.000 1.048 1543 K CA 2.339 58.367 56.287 -0.432 0.000 0.948 1543 K CB -0.432 31.927 32.500 -0.235 0.000 0.726 1543 K HN 0.349 nan 8.250 nan 0.000 0.442 1544 H N 0.418 119.410 119.070 -0.131 0.000 2.460 1544 H HA -0.061 4.497 4.556 0.002 0.000 0.297 1544 H C 1.950 177.237 175.328 -0.068 0.000 1.103 1544 H CA 1.564 57.568 56.048 -0.072 0.000 1.292 1544 H CB 0.002 29.732 29.762 -0.053 0.000 1.376 1544 H HN 0.205 nan 8.280 nan 0.000 0.531 1545 L N -1.176 120.015 121.223 -0.055 0.000 2.240 1545 L HA 0.057 4.398 4.340 0.002 0.000 0.211 1545 L C 1.803 178.605 176.870 -0.113 0.000 1.106 1545 L CA 1.246 56.032 54.840 -0.090 0.000 0.793 1545 L CB -0.039 41.992 42.059 -0.046 0.000 0.927 1545 L HN 0.770 nan 8.230 nan 0.000 0.446 1546 G N -0.392 108.347 108.800 -0.102 0.000 2.273 1546 G HA2 -0.213 3.748 3.960 0.002 0.000 0.162 1546 G HA3 -0.213 3.748 3.960 0.002 0.000 0.162 1546 G C 0.342 175.242 174.900 0.000 0.000 1.006 1546 G CA -0.175 44.894 45.100 -0.053 0.000 0.704 1546 G HN 0.208 nan 8.290 nan 0.000 0.487 1547 R N 2.476 122.958 120.500 -0.030 0.000 2.489 1547 R HA 0.220 4.561 4.340 0.002 0.000 0.287 1547 R C 1.107 177.527 176.300 0.200 0.000 0.902 1547 R CA 1.320 57.447 56.100 0.045 0.000 1.136 1547 R CB -0.156 30.114 30.300 -0.051 0.000 0.872 1547 R HN 0.523 nan 8.270 nan 0.000 0.421 1548 T N 2.855 117.494 114.554 0.142 0.000 2.814 1548 T HA 0.195 4.546 4.350 0.002 0.000 0.297 1548 T C -0.040 174.715 174.700 0.092 0.000 0.956 1548 T CA -0.879 61.311 62.100 0.149 0.000 1.123 1548 T CB 0.668 69.656 68.868 0.199 0.000 0.902 1548 T HN 0.496 nan 8.240 nan 0.000 0.528 1549 K N 2.168 122.623 120.400 0.092 0.000 2.530 1549 K HA 0.226 4.547 4.320 0.002 0.000 0.280 1549 K C 1.483 178.041 176.600 -0.069 0.000 1.004 1549 K CA 1.230 57.481 56.287 -0.060 0.000 1.071 1549 K CB -0.044 32.448 32.500 -0.014 0.000 0.876 1549 K HN 1.082 nan 8.250 nan 0.000 0.487 1550 G N 2.379 111.077 108.800 -0.169 0.000 2.232 1550 G HA2 -0.261 3.700 3.960 0.002 0.000 0.226 1550 G HA3 -0.261 3.700 3.960 0.002 0.000 0.226 1550 G C 0.019 174.833 174.900 -0.144 0.000 0.996 1550 G CA -0.009 45.078 45.100 -0.022 0.000 0.626 1550 G HN 0.623 nan 8.290 nan 0.000 0.509 1551 N N 1.576 119.963 118.700 -0.523 0.000 2.521 1551 N HA 0.647 5.388 4.740 0.002 0.000 0.236 1551 N C 0.315 175.703 175.510 -0.203 0.000 1.067 1551 N CA 0.760 53.305 53.050 -0.841 0.000 0.939 1551 N CB 0.518 38.112 38.487 -1.488 0.000 1.201 1551 N HN 0.800 nan 8.380 nan 0.000 0.511 1552 A N 2.362 125.253 122.820 0.119 0.000 2.279 1552 A HA 0.572 4.894 4.320 0.002 0.000 0.303 1552 A C -0.182 177.494 177.584 0.155 0.000 1.108 1552 A CA -0.694 51.431 52.037 0.148 0.000 0.830 1552 A CB 0.601 19.655 19.000 0.090 0.000 1.106 1552 A HN 0.509 nan 8.150 nan 0.000 0.493 1553 V N 0.336 120.318 119.914 0.112 0.000 2.439 1553 V HA 0.441 4.562 4.120 0.002 0.000 0.282 1553 V C 0.166 176.302 176.094 0.070 0.000 1.039 1553 V CA -0.807 61.557 62.300 0.106 0.000 0.913 1553 V CB 0.698 32.587 31.823 0.110 0.000 0.983 1553 V HN 0.696 nan 8.190 nan 0.000 0.460 1554 L N 4.493 125.769 121.223 0.089 0.000 2.477 1554 L HA 0.394 4.735 4.340 0.002 0.000 0.272 1554 L C 1.007 177.894 176.870 0.027 0.000 1.157 1554 L CA 0.530 55.402 54.840 0.052 0.000 0.889 1554 L CB 0.688 42.793 42.059 0.077 0.000 1.158 1554 L HN 0.995 nan 8.230 nan 0.000 0.473 1555 G N 5.847 114.615 108.800 -0.053 0.000 2.347 1555 G HA2 0.548 4.509 3.960 0.002 0.000 0.314 1555 G HA3 0.548 4.509 3.960 0.002 0.000 0.314 1555 G C -0.359 174.330 174.900 -0.352 0.000 1.126 1555 G CA -0.492 44.504 45.100 -0.175 0.000 0.929 1555 G HN 0.483 nan 8.290 nan 0.000 0.441 1556 I N 1.356 121.711 120.570 -0.358 0.000 2.437 1556 I HA 0.429 4.601 4.170 0.002 0.000 0.298 1556 I C -0.815 174.979 176.117 -0.537 0.000 0.984 1556 I CA -0.673 60.461 61.300 -0.277 0.000 1.214 1556 I CB 1.858 39.839 38.000 -0.033 0.000 1.365 1556 I HN 0.342 nan 8.210 nan 0.000 0.469 1557 F N 4.141 124.236 119.950 0.242 0.000 2.769 1557 F HA 0.265 4.793 4.527 0.002 0.000 0.358 1557 F C 1.122 177.084 175.800 0.269 0.000 1.285 1557 F CA -0.460 57.685 58.000 0.243 0.000 1.199 1557 F CB 0.681 39.798 39.000 0.194 0.000 1.558 1557 F HN 0.470 nan 8.300 nan 0.000 0.583 1558 Q N 0.980 120.938 119.800 0.263 0.000 2.297 1558 Q HA -0.158 4.184 4.340 0.002 0.000 0.208 1558 Q C 1.766 177.775 176.000 0.016 0.000 0.981 1558 Q CA 1.180 57.042 55.803 0.097 0.000 0.876 1558 Q CB 0.306 29.104 28.738 0.100 0.000 0.921 1558 Q HN 0.324 nan 8.270 nan 0.000 0.446 1559 K N 0.063 120.543 120.400 0.135 0.000 2.152 1559 K HA -0.199 4.122 4.320 0.002 0.000 0.206 1559 K C 1.825 178.491 176.600 0.110 0.000 1.048 1559 K CA 1.327 57.680 56.287 0.111 0.000 0.933 1559 K CB -0.794 31.756 32.500 0.084 0.000 0.721 1559 K HN 0.528 nan 8.250 nan 0.000 0.447 1560 Y N -0.319 120.062 120.300 0.136 0.000 2.241 1560 Y HA -0.152 4.399 4.550 0.002 0.000 0.286 1560 Y C 1.889 177.863 175.900 0.123 0.000 1.166 1560 Y CA 1.131 59.292 58.100 0.102 0.000 1.203 1560 Y CB -0.542 37.964 38.460 0.077 0.000 0.977 1560 Y HN -0.018 nan 8.280 nan 0.000 0.529 1561 L N 0.012 120.854 121.223 -0.635 0.000 2.286 1561 L HA -0.005 4.336 4.340 0.002 0.000 0.203 1561 L C 2.074 178.998 176.870 0.089 0.000 1.068 1561 L CA 1.528 56.086 54.840 -0.471 0.000 0.811 1561 L CB -0.253 41.246 42.059 -0.933 0.000 0.989 1561 L HN 0.521 nan 8.230 nan 0.000 0.467 1562 T N -3.254 111.351 114.554 0.084 0.000 3.044 1562 T HA 0.330 4.681 4.350 0.002 0.000 0.250 1562 T C 1.047 175.933 174.700 0.310 0.000 1.081 1562 T CA 0.348 62.614 62.100 0.277 0.000 1.040 1562 T CB 0.262 69.340 68.868 0.349 0.000 0.962 1562 T HN 0.471 nan 8.240 nan 0.000 0.506 1563 G N 1.505 110.435 108.800 0.218 0.000 2.804 1563 G HA2 -0.210 3.751 3.960 0.002 0.000 0.230 1563 G HA3 -0.210 3.751 3.960 0.002 0.000 0.230 1563 G C -0.713 174.344 174.900 0.262 0.000 1.386 1563 G CA -0.269 44.962 45.100 0.218 0.000 0.875 1563 G HN 0.810 nan 8.290 nan 0.000 0.557 1564 H N 1.669 120.822 119.070 0.138 0.000 2.685 1564 H HA 0.535 5.092 4.556 0.002 0.000 0.286 1564 H C -2.058 173.252 175.328 -0.031 0.000 1.102 1564 H CA -2.391 53.669 56.048 0.019 0.000 1.254 1564 H CB 1.249 31.004 29.762 -0.012 0.000 1.397 1564 H HN 0.231 nan 8.280 nan 0.000 0.473 1565 P HA 0.112 nan 4.420 nan 0.000 0.220 1565 P C 0.394 177.716 177.300 0.037 0.000 1.806 1565 P CA -0.254 62.798 63.100 -0.079 0.000 0.976 1565 P CB -0.043 31.227 31.700 -0.717 0.000 1.952 1566 K N 0.357 120.811 120.400 0.089 0.000 4.389 1566 K HA -0.332 3.990 4.320 0.002 0.000 0.336 1566 K C 1.915 178.585 176.600 0.116 0.000 0.673 1566 K CA 2.400 58.668 56.287 -0.031 0.000 1.208 1566 K CB -2.163 30.361 32.500 0.040 0.000 0.819 1566 K HN 0.397 nan 8.250 nan 0.000 0.767 1567 G N -0.397 108.411 108.800 0.015 0.000 2.411 1567 G HA2 0.085 4.046 3.960 0.002 0.000 0.213 1567 G HA3 0.085 4.046 3.960 0.002 0.000 0.213 1567 G C 1.340 176.173 174.900 -0.112 0.000 1.166 1567 G CA 0.724 45.796 45.100 -0.047 0.000 0.802 1567 G HN 0.568 nan 8.290 nan 0.000 0.533 1568 A N 0.769 123.469 122.820 -0.200 0.000 2.261 1568 A HA 0.621 4.942 4.320 0.002 0.000 0.208 1568 A C 2.399 179.691 177.584 -0.487 0.000 1.223 1568 A CA 1.260 53.103 52.037 -0.324 0.000 0.833 1568 A CB -0.403 18.354 19.000 -0.404 0.000 0.830 1568 A HN 0.553 nan 8.150 nan 0.000 0.483 1569 A N 0.273 122.904 122.820 -0.316 0.000 1.849 1569 A HA -0.014 4.308 4.320 0.002 0.000 0.217 1569 A C 2.422 179.940 177.584 -0.110 0.000 1.202 1569 A CA 2.076 53.952 52.037 -0.269 0.000 0.629 1569 A CB -1.488 17.401 19.000 -0.185 0.000 0.834 1569 A HN 0.823 nan 8.150 nan 0.000 0.447 1570 G N -0.763 108.015 108.800 -0.038 0.000 2.469 1570 G HA2 -0.078 3.883 3.960 0.002 0.000 0.219 1570 G HA3 -0.078 3.883 3.960 0.002 0.000 0.219 1570 G C 1.763 176.682 174.900 0.033 0.000 1.150 1570 G CA 1.890 46.993 45.100 0.006 0.000 0.763 1570 G HN 0.944 nan 8.290 nan 0.000 0.561 1571 A N 0.114 122.948 122.820 0.024 0.000 1.877 1571 A HA -0.045 4.276 4.320 0.002 0.000 0.216 1571 A C 2.195 179.920 177.584 0.234 0.000 1.186 1571 A CA 1.718 53.819 52.037 0.107 0.000 0.620 1571 A CB -0.678 18.396 19.000 0.122 0.000 0.822 1571 A HN 0.447 nan 8.150 nan 0.000 0.443 1572 W N -0.098 121.210 121.300 0.014 0.000 2.335 1572 W HA -0.150 4.511 4.660 0.002 0.000 0.311 1572 W C 2.526 179.036 176.519 -0.015 0.000 1.213 1572 W CA 1.209 58.557 57.345 0.006 0.000 1.274 1572 W CB -1.213 28.257 29.460 0.017 0.000 1.148 1572 W HN 0.313 nan 8.180 nan 0.000 0.498 1573 M N -0.730 118.998 119.600 0.214 0.000 2.086 1573 M HA -0.202 4.279 4.480 0.002 0.000 0.261 1573 M C 2.193 178.488 176.300 -0.008 0.000 1.067 1573 M CA 1.467 56.822 55.300 0.092 0.000 1.116 1573 M CB -1.217 31.429 32.600 0.076 0.000 1.348 1573 M HN -0.082 nan 8.290 nan 0.000 0.407 1574 L N 1.195 122.422 121.223 0.007 0.000 2.079 1574 L HA -0.220 4.122 4.340 0.002 0.000 0.210 1574 L C 1.898 178.704 176.870 -0.107 0.000 1.081 1574 L CA 1.891 56.705 54.840 -0.043 0.000 0.752 1574 L CB -0.750 41.329 42.059 0.033 0.000 0.896 1574 L HN 0.263 nan 8.230 nan 0.000 0.433 1575 N N -0.120 118.550 118.700 -0.049 0.000 2.084 1575 N HA -0.121 4.620 4.740 0.002 0.000 0.190 1575 N C 1.832 177.239 175.510 -0.171 0.000 1.030 1575 N CA 1.412 54.398 53.050 -0.105 0.000 0.849 1575 N CB -1.065 37.393 38.487 -0.048 0.000 1.012 1575 N HN 0.466 nan 8.380 nan 0.000 0.423 1576 G N 0.480 109.219 108.800 -0.102 0.000 2.476 1576 G HA2 -0.280 3.681 3.960 0.002 0.000 0.218 1576 G HA3 -0.280 3.681 3.960 0.002 0.000 0.218 1576 G C 1.801 176.564 174.900 -0.229 0.000 1.164 1576 G CA 1.204 46.262 45.100 -0.069 0.000 0.768 1576 G HN 0.386 nan 8.290 nan 0.000 0.560 1577 C N 0.395 119.446 119.300 -0.414 0.000 2.436 1577 C HA 0.059 4.520 4.460 0.002 0.000 0.277 1577 C C 2.889 177.523 174.990 -0.594 0.000 1.241 1577 C CA 0.578 59.128 59.018 -0.779 0.000 1.721 1577 C CB -1.184 25.410 27.740 -1.910 0.000 2.043 1577 C HN 0.432 nan 8.230 nan 0.000 0.472 1578 L N 0.381 121.345 121.223 -0.432 0.000 2.197 1578 L HA -0.283 4.058 4.340 0.002 0.000 0.215 1578 L C 2.629 179.390 176.870 -0.182 0.000 1.095 1578 L CA 1.647 56.402 54.840 -0.141 0.000 0.764 1578 L CB -0.857 41.162 42.059 -0.066 0.000 0.897 1578 L HN 0.562 nan 8.230 nan 0.000 0.436 1579 Q N -0.861 118.713 119.800 -0.376 0.000 2.123 1579 Q HA -0.102 4.240 4.340 0.002 0.000 0.196 1579 Q C 2.398 178.050 176.000 -0.580 0.000 0.958 1579 Q CA 0.884 56.287 55.803 -0.668 0.000 0.841 1579 Q CB 0.124 28.108 28.738 -1.258 0.000 0.915 1579 Q HN 0.297 nan 8.270 nan 0.000 0.455 1580 V N 1.216 120.923 119.914 -0.345 0.000 2.287 1580 V HA -0.292 3.829 4.120 0.002 0.000 0.248 1580 V C 2.218 178.318 176.094 0.010 0.000 1.053 1580 V CA 1.556 63.837 62.300 -0.031 0.000 1.027 1580 V CB -0.547 31.299 31.823 0.039 0.000 0.646 1580 V HN 0.419 nan 8.190 nan 0.000 0.447 1581 L N 0.297 121.511 121.223 -0.015 0.000 2.089 1581 L HA -0.268 4.073 4.340 0.002 0.000 0.213 1581 L C 2.231 179.118 176.870 0.028 0.000 1.079 1581 L CA 2.050 56.922 54.840 0.053 0.000 0.758 1581 L CB -0.520 41.549 42.059 0.017 0.000 0.891 1581 L HN 0.505 nan 8.230 nan 0.000 0.433 1582 N N -1.295 117.388 118.700 -0.030 0.000 2.280 1582 N HA -0.054 4.688 4.740 0.002 0.000 0.192 1582 N C 1.212 176.768 175.510 0.076 0.000 1.109 1582 N CA 1.031 54.087 53.050 0.011 0.000 0.855 1582 N CB 0.487 38.955 38.487 -0.031 0.000 0.974 1582 N HN 0.407 nan 8.380 nan 0.000 0.482 1583 T N -5.182 109.432 114.554 0.098 0.000 2.969 1583 T HA 0.241 4.592 4.350 0.002 0.000 0.258 1583 T C 1.268 176.086 174.700 0.196 0.000 0.962 1583 T CA 0.810 63.016 62.100 0.176 0.000 0.903 1583 T CB 0.349 69.382 68.868 0.275 0.000 1.177 1583 T HN 0.033 nan 8.240 nan 0.000 0.511 1584 G N 2.077 110.988 108.800 0.185 0.000 2.175 1584 G HA2 -0.221 3.740 3.960 0.002 0.000 0.265 1584 G HA3 -0.221 3.740 3.960 0.002 0.000 0.265 1584 G C 0.053 175.022 174.900 0.115 0.000 0.979 1584 G CA 0.489 45.688 45.100 0.165 0.000 0.663 1584 G HN 0.732 nan 8.290 nan 0.000 0.533 1585 I N 0.670 121.349 120.570 0.181 0.000 2.342 1585 I HA 0.420 4.591 4.170 0.002 0.000 0.291 1585 I C 0.240 176.469 176.117 0.186 0.000 1.010 1585 I CA -0.872 60.521 61.300 0.155 0.000 1.308 1585 I CB 1.763 39.919 38.000 0.260 0.000 1.400 1585 I HN -0.154 nan 8.210 nan 0.000 0.488 1586 V N 8.340 128.296 119.914 0.071 0.000 2.313 1586 V HA 0.276 4.397 4.120 0.002 0.000 0.278 1586 V C -2.183 173.936 176.094 0.042 0.000 1.017 1586 V CA -1.785 60.564 62.300 0.081 0.000 0.823 1586 V CB 1.158 33.006 31.823 0.043 0.000 1.010 1586 V HN 0.576 nan 8.190 nan 0.000 0.443 1587 P HA 0.231 nan 4.420 nan 0.000 0.269 1587 P C 0.292 177.617 177.300 0.042 0.000 1.215 1587 P CA 0.318 63.414 63.100 -0.005 0.000 0.780 1587 P CB 0.713 32.405 31.700 -0.013 0.000 0.898 1588 G N 0.945 109.751 108.800 0.011 0.000 2.434 1588 G HA2 0.221 4.183 3.960 0.002 0.000 0.330 1588 G HA3 0.221 4.183 3.960 0.002 0.000 0.330 1588 G C -0.604 174.260 174.900 -0.061 0.000 1.155 1588 G CA -0.771 44.331 45.100 0.005 0.000 0.917 1588 G HN 0.600 nan 8.290 nan 0.000 0.493 1589 N N 0.774 119.420 118.700 -0.089 0.000 2.807 1589 N HA 0.053 4.795 4.740 0.002 0.000 0.259 1589 N C 1.452 176.587 175.510 -0.625 0.000 1.149 1589 N CA -0.437 52.371 53.050 -0.402 0.000 1.042 1589 N CB 0.188 38.696 38.487 0.034 0.000 1.367 1589 N HN 0.461 nan 8.380 nan 0.000 0.516 1590 R N 1.240 121.149 120.500 -0.983 0.000 2.154 1590 R HA -0.114 4.227 4.340 0.002 0.000 0.248 1590 R C 0.635 176.720 176.300 -0.359 0.000 1.155 1590 R CA 1.286 57.075 56.100 -0.518 0.000 0.979 1590 R CB -0.023 30.067 30.300 -0.350 0.000 0.869 1590 R HN 0.542 nan 8.270 nan 0.000 0.452 1591 N N 0.225 118.675 118.700 -0.416 0.000 2.370 1591 N HA 0.053 4.794 4.740 0.002 0.000 0.198 1591 N C -0.461 174.987 175.510 -0.105 0.000 1.156 1591 N CA 0.242 53.198 53.050 -0.156 0.000 0.839 1591 N CB 0.796 39.266 38.487 -0.028 0.000 0.989 1591 N HN 0.121 nan 8.380 nan 0.000 0.468 1592 A N 0.733 123.485 122.820 -0.114 0.000 3.052 1592 A HA 0.006 4.327 4.320 0.002 0.000 0.266 1592 A C 1.156 178.803 177.584 0.106 0.000 1.855 1592 A CA -0.279 51.764 52.037 0.010 0.000 1.473 1592 A CB -0.375 18.709 19.000 0.140 0.000 1.038 1592 A HN 0.050 nan 8.150 nan 0.000 0.619 1593 D N 0.912 121.358 120.400 0.075 0.000 2.549 1593 D HA -0.220 4.422 4.640 0.002 0.000 0.199 1593 D C 0.525 177.017 176.300 0.320 0.000 1.034 1593 D CA 2.097 56.208 54.000 0.185 0.000 0.880 1593 D CB 0.096 40.972 40.800 0.127 0.000 1.044 1593 D HN 0.692 nan 8.370 nan 0.000 0.469 1594 N N -1.154 117.690 118.700 0.240 0.000 2.812 1594 N HA 0.113 4.854 4.740 0.002 0.000 0.262 1594 N C -1.652 173.868 175.510 0.017 0.000 1.241 1594 N CA -0.222 52.977 53.050 0.247 0.000 0.854 1594 N CB 1.179 39.785 38.487 0.199 0.000 1.506 1594 N HN -0.237 nan 8.380 nan 0.000 0.576 1595 V N 1.703 121.522 119.914 -0.159 0.000 2.694 1595 V HA -0.000 4.121 4.120 0.002 0.000 0.306 1595 V C 0.825 176.876 176.094 -0.073 0.000 1.054 1595 V CA 0.078 62.224 62.300 -0.256 0.000 1.161 1595 V CB 0.355 31.882 31.823 -0.494 0.000 0.916 1595 V HN 0.641 nan 8.190 nan 0.000 0.490 1596 D N 4.394 124.761 120.400 -0.056 0.000 2.493 1596 D HA -0.028 4.613 4.640 0.002 0.000 0.240 1596 D C 1.252 177.652 176.300 0.166 0.000 1.142 1596 D CA 0.038 54.056 54.000 0.030 0.000 0.872 1596 D CB 0.775 41.564 40.800 -0.019 0.000 1.173 1596 D HN 0.423 nan 8.370 nan 0.000 0.467 1597 K N 2.824 123.326 120.400 0.170 0.000 2.228 1597 K HA -0.113 4.208 4.320 0.002 0.000 0.205 1597 K C 1.831 178.424 176.600 -0.012 0.000 1.045 1597 K CA 0.642 57.018 56.287 0.148 0.000 0.931 1597 K CB -0.253 32.295 32.500 0.080 0.000 0.727 1597 K HN 0.376 nan 8.250 nan 0.000 0.458 1598 V N 1.398 121.323 119.914 0.018 0.000 2.392 1598 V HA -0.237 3.885 4.120 0.002 0.000 0.249 1598 V C 2.160 178.263 176.094 0.013 0.000 1.059 1598 V CA 1.435 63.731 62.300 -0.006 0.000 1.051 1598 V CB -0.503 31.359 31.823 0.065 0.000 0.658 1598 V HN 0.295 nan 8.190 nan 0.000 0.455 1599 M N -0.317 119.385 119.600 0.170 0.000 2.686 1599 M HA -0.043 4.438 4.480 0.002 0.000 0.246 1599 M C 1.897 178.288 176.300 0.152 0.000 1.096 1599 M CA 0.931 56.491 55.300 0.434 0.000 1.076 1599 M CB -1.147 31.604 32.600 0.252 0.000 1.504 1599 M HN 0.536 nan 8.290 nan 0.000 0.524 1600 E N 1.471 121.394 120.200 -0.461 0.000 2.072 1600 E HA -0.193 4.158 4.350 0.002 0.000 0.190 1600 E C 1.982 178.224 176.600 -0.596 0.000 0.982 1600 E CA 0.812 56.563 56.400 -1.081 0.000 0.803 1600 E CB 0.076 28.953 29.700 -1.371 0.000 0.755 1600 E HN 0.680 nan 8.360 nan 0.000 0.453 1601 Q N -0.089 119.362 119.800 -0.582 0.000 2.508 1601 Q HA -0.120 4.222 4.340 0.002 0.000 0.214 1601 Q C -0.353 175.318 176.000 -0.549 0.000 0.979 1601 Q CA 0.554 56.009 55.803 -0.580 0.000 0.911 1601 Q CB -0.191 28.152 28.738 -0.659 0.000 0.969 1601 Q HN 0.156 nan 8.270 nan 0.000 0.504 1602 F N 2.855 122.789 119.950 -0.026 0.000 2.384 1602 F HA 0.232 4.761 4.527 0.002 0.000 0.359 1602 F C 0.455 176.269 175.800 0.023 0.000 1.143 1602 F CA -1.169 56.873 58.000 0.070 0.000 1.216 1602 F CB 0.671 39.764 39.000 0.155 0.000 1.512 1602 F HN -0.036 nan 8.300 nan 0.000 0.573 1603 D N 1.055 121.506 120.400 0.085 0.000 2.123 1603 D HA -0.264 4.377 4.640 0.002 0.000 0.196 1603 D C 1.553 177.777 176.300 -0.127 0.000 0.992 1603 D CA 1.836 55.767 54.000 -0.115 0.000 0.833 1603 D CB -0.334 40.279 40.800 -0.311 0.000 0.954 1603 D HN 0.495 nan 8.370 nan 0.000 0.455 1604 Y N 0.618 120.950 120.300 0.054 0.000 2.583 1604 Y HA 0.150 4.701 4.550 0.002 0.000 0.293 1604 Y C 1.082 176.982 175.900 -0.000 0.000 1.157 1604 Y CA 0.084 58.200 58.100 0.028 0.000 1.315 1604 Y CB -0.029 38.456 38.460 0.042 0.000 1.021 1604 Y HN -0.116 nan 8.280 nan 0.000 0.536 1605 I N 0.083 120.699 120.570 0.076 0.000 2.406 1605 I HA 0.369 4.540 4.170 0.002 0.000 0.290 1605 I C -0.984 174.895 176.117 -0.396 0.000 0.999 1605 I CA -0.962 60.255 61.300 -0.139 0.000 1.124 1605 I CB 2.080 39.975 38.000 -0.175 0.000 1.289 1605 I HN -0.380 nan 8.210 nan 0.000 0.441 1606 V N 7.370 127.033 119.914 -0.418 0.000 2.487 1606 V HA 0.415 4.537 4.120 0.002 0.000 0.298 1606 V C -1.170 174.694 176.094 -0.384 0.000 1.028 1606 V CA -0.419 61.627 62.300 -0.424 0.000 0.860 1606 V CB 1.716 33.324 31.823 -0.358 0.000 0.991 1606 V HN 0.479 nan 8.190 nan 0.000 0.427 1607 Y N 7.172 127.471 120.300 -0.002 0.000 2.518 1607 Y HA 0.482 5.033 4.550 0.002 0.000 0.344 1607 Y C -2.197 173.745 175.900 0.070 0.000 0.982 1607 Y CA -3.061 55.081 58.100 0.070 0.000 1.234 1607 Y CB 0.657 39.142 38.460 0.041 0.000 1.114 1607 Y HN 0.487 nan 8.280 nan 0.000 0.515 1608 P HA 0.092 nan 4.420 nan 0.000 0.282 1608 P C 0.482 177.908 177.300 0.210 0.000 1.262 1608 P CA -0.291 62.925 63.100 0.194 0.000 0.773 1608 P CB 1.462 33.229 31.700 0.111 0.000 0.879 1609 S N 3.131 118.976 115.700 0.242 0.000 2.575 1609 S HA 0.121 4.592 4.470 0.002 0.000 0.215 1609 S C 0.526 175.075 174.600 -0.084 0.000 0.966 1609 S CA -0.275 57.963 58.200 0.064 0.000 0.911 1609 S CB -0.353 62.802 63.200 -0.076 0.000 0.780 1609 S HN 0.509 nan 8.310 nan 0.000 0.514 1610 R N -0.559 119.914 120.500 -0.045 0.000 2.739 1610 R HA 0.683 5.024 4.340 0.002 0.000 0.271 1610 R C -1.141 175.123 176.300 -0.060 0.000 1.010 1610 R CA -0.745 55.302 56.100 -0.088 0.000 0.897 1610 R CB 0.671 30.901 30.300 -0.117 0.000 1.236 1610 R HN -0.045 nan 8.270 nan 0.000 0.466 1611 S N 0.735 116.382 115.700 -0.090 0.000 2.572 1611 S HA 0.319 4.790 4.470 0.002 0.000 0.279 1611 S C 0.026 174.569 174.600 -0.095 0.000 1.341 1611 S CA -0.197 57.950 58.200 -0.090 0.000 1.043 1611 S CB 0.158 63.280 63.200 -0.131 0.000 0.887 1611 S HN 0.354 nan 8.310 nan 0.000 0.516 1612 I N 2.414 122.928 120.570 -0.094 0.000 2.478 1612 I HA 0.289 4.460 4.170 0.002 0.000 0.287 1612 I C -0.462 175.527 176.117 -0.214 0.000 1.042 1612 I CA -0.813 60.403 61.300 -0.141 0.000 1.067 1612 I CB 1.863 39.792 38.000 -0.118 0.000 1.233 1612 I HN 0.368 nan 8.210 nan 0.000 0.431 1613 K N 5.528 125.761 120.400 -0.278 0.000 2.258 1613 K HA 0.471 4.792 4.320 0.002 0.000 0.284 1613 K C -0.197 176.141 176.600 -0.437 0.000 1.051 1613 K CA -0.117 55.974 56.287 -0.326 0.000 0.923 1613 K CB 0.866 33.099 32.500 -0.445 0.000 1.046 1613 K HN 0.687 nan 8.250 nan 0.000 0.474 1614 T N -0.089 114.296 114.554 -0.281 0.000 2.927 1614 T HA 0.285 4.637 4.350 0.002 0.000 0.286 1614 T C 0.482 175.432 174.700 0.417 0.000 1.040 1614 T CA -0.449 61.490 62.100 -0.268 0.000 1.010 1614 T CB 1.006 69.628 68.868 -0.410 0.000 1.177 1614 T HN 0.566 nan 8.240 nan 0.000 0.546 1615 D N -0.630 120.161 120.400 0.652 0.000 2.312 1615 D HA 0.315 4.956 4.640 0.002 0.000 0.211 1615 D C 1.048 177.566 176.300 0.362 0.000 0.964 1615 D CA 0.713 55.034 54.000 0.534 0.000 0.877 1615 D CB -0.490 40.625 40.800 0.525 0.000 0.924 1615 D HN 1.156 nan 8.370 nan 0.000 0.515 1616 G N -0.078 108.910 108.800 0.313 0.000 2.350 1616 G HA2 0.366 4.327 3.960 0.002 0.000 0.305 1616 G HA3 0.366 4.327 3.960 0.002 0.000 0.305 1616 G C -1.579 173.458 174.900 0.229 0.000 1.479 1616 G CA -0.539 44.709 45.100 0.246 0.000 0.949 1616 G HN 0.275 nan 8.290 nan 0.000 0.651 1617 I N -1.675 119.031 120.570 0.228 0.000 2.569 1617 I HA 0.665 4.836 4.170 0.002 0.000 0.296 1617 I C 0.330 176.576 176.117 0.216 0.000 1.028 1617 I CA -1.273 60.151 61.300 0.206 0.000 1.082 1617 I CB 1.622 39.736 38.000 0.190 0.000 1.264 1617 I HN 0.709 nan 8.210 nan 0.000 0.429 1618 K N 3.543 124.025 120.400 0.136 0.000 2.190 1618 K HA 0.567 4.888 4.320 0.002 0.000 0.202 1618 K C 0.523 177.074 176.600 -0.081 0.000 1.045 1618 K CA 0.870 57.175 56.287 0.031 0.000 0.976 1618 K CB 0.416 32.907 32.500 -0.016 0.000 0.849 1618 K HN 0.832 nan 8.250 nan 0.000 0.468 1619 A N 0.885 123.670 122.820 -0.058 0.000 2.539 1619 A HA 0.628 4.949 4.320 0.002 0.000 0.296 1619 A C -1.341 176.223 177.584 -0.033 0.000 1.073 1619 A CA -0.831 51.110 52.037 -0.160 0.000 0.700 1619 A CB 0.848 19.700 19.000 -0.248 0.000 1.296 1619 A HN 0.188 nan 8.150 nan 0.000 0.405 1620 F N -0.193 119.710 119.950 -0.079 0.000 2.631 1620 F HA 0.888 5.416 4.527 0.002 0.000 0.328 1620 F C -0.098 175.647 175.800 -0.091 0.000 1.067 1620 F CA -1.085 56.877 58.000 -0.063 0.000 0.969 1620 F CB 1.838 40.812 39.000 -0.045 0.000 1.332 1620 F HN 0.583 nan 8.300 nan 0.000 0.490 1621 S N 2.211 118.050 115.700 0.232 0.000 2.774 1621 S HA 0.616 5.087 4.470 0.002 0.000 0.297 1621 S C -1.113 173.549 174.600 0.104 0.000 1.143 1621 S CA -0.479 57.766 58.200 0.075 0.000 1.090 1621 S CB 0.453 63.612 63.200 -0.068 0.000 1.019 1621 S HN 1.384 nan 8.310 nan 0.000 0.482 1622 V N 3.314 123.322 119.914 0.157 0.000 2.607 1622 V HA 0.941 5.063 4.120 0.002 0.000 0.289 1622 V C -0.327 175.716 176.094 -0.085 0.000 1.053 1622 V CA -0.213 62.105 62.300 0.031 0.000 0.996 1622 V CB 1.011 32.877 31.823 0.072 0.000 0.995 1622 V HN 0.905 nan 8.190 nan 0.000 0.476 1623 T N 2.153 116.631 114.554 -0.127 0.000 2.991 1623 T HA 0.710 5.061 4.350 0.002 0.000 0.303 1623 T C -0.366 174.232 174.700 -0.170 0.000 1.015 1623 T CA -0.186 61.784 62.100 -0.216 0.000 1.007 1623 T CB 1.116 69.841 68.868 -0.238 0.000 1.034 1623 T HN 1.372 nan 8.240 nan 0.000 0.446 1624 S N 1.731 117.203 115.700 -0.380 0.000 2.599 1624 S HA 0.923 5.394 4.470 0.002 0.000 0.294 1624 S C -1.331 172.782 174.600 -0.812 0.000 1.094 1624 S CA -0.903 56.971 58.200 -0.542 0.000 0.931 1624 S CB 1.194 64.178 63.200 -0.361 0.000 1.093 1624 S HN 0.519 nan 8.310 nan 0.000 0.488 1625 F N -0.288 119.147 119.950 -0.858 0.000 2.588 1625 F HA 0.874 5.402 4.527 0.002 0.000 0.314 1625 F C 0.744 176.382 175.800 -0.269 0.000 1.069 1625 F CA -0.373 57.387 58.000 -0.400 0.000 0.931 1625 F CB 2.367 41.222 39.000 -0.242 0.000 1.260 1625 F HN 1.067 nan 8.300 nan 0.000 0.465 1626 G N 0.127 108.971 108.800 0.075 0.000 2.733 1626 G HA2 0.607 4.568 3.960 0.002 0.000 0.288 1626 G HA3 0.607 4.568 3.960 0.002 0.000 0.288 1626 G C -1.824 173.160 174.900 0.140 0.000 1.373 1626 G CA -0.760 44.429 45.100 0.149 0.000 0.895 1626 G HN 0.272 nan 8.290 nan 0.000 0.479 1627 F N 0.594 120.589 119.950 0.075 0.000 2.506 1627 F HA 0.417 4.946 4.527 0.002 0.000 0.351 1627 F C 1.454 177.284 175.800 0.049 0.000 1.136 1627 F CA 1.382 59.426 58.000 0.073 0.000 1.298 1627 F CB 1.102 40.154 39.000 0.086 0.000 1.145 1627 F HN 0.989 nan 8.300 nan 0.000 0.593 1628 G N 2.779 111.678 108.800 0.164 0.000 2.324 1628 G HA2 -0.298 3.663 3.960 0.002 0.000 0.292 1628 G HA3 -0.298 3.663 3.960 0.002 0.000 0.292 1628 G C 0.070 175.008 174.900 0.063 0.000 1.079 1628 G CA 0.083 45.247 45.100 0.106 0.000 1.026 1628 G HN 0.831 nan 8.290 nan 0.000 0.506 1629 Q N -2.190 117.635 119.800 0.041 0.000 2.439 1629 Q HA -0.239 4.102 4.340 0.002 0.000 0.325 1629 Q C 0.499 176.515 176.000 0.027 0.000 1.372 1629 Q CA 1.584 57.407 55.803 0.034 0.000 0.909 1629 Q CB -0.675 28.078 28.738 0.025 0.000 1.167 1629 Q HN 0.619 nan 8.270 nan 0.000 0.418 1630 K N 0.865 121.283 120.400 0.030 0.000 2.459 1630 K HA 0.373 4.694 4.320 0.002 0.000 0.218 1630 K C -0.059 176.493 176.600 -0.081 0.000 1.067 1630 K CA 0.081 56.363 56.287 -0.008 0.000 1.045 1630 K CB 0.659 33.172 32.500 0.022 0.000 1.623 1630 K HN 0.329 nan 8.250 nan 0.000 0.509 1631 G N 1.048 109.768 108.800 -0.133 0.000 2.332 1631 G HA2 0.669 4.630 3.960 0.002 0.000 0.310 1631 G HA3 0.669 4.630 3.960 0.002 0.000 0.310 1631 G C -1.004 173.673 174.900 -0.370 0.000 1.123 1631 G CA -0.469 44.413 45.100 -0.364 0.000 0.873 1631 G HN 0.546 nan 8.290 nan 0.000 0.460 1632 A N 2.001 124.527 122.820 -0.490 0.000 2.515 1632 A HA 0.895 5.216 4.320 0.002 0.000 0.296 1632 A C -0.664 176.693 177.584 -0.378 0.000 1.094 1632 A CA -0.743 51.090 52.037 -0.340 0.000 0.718 1632 A CB 2.211 21.070 19.000 -0.235 0.000 1.307 1632 A HN 0.802 nan 8.150 nan 0.000 0.408 1633 Q N 0.225 119.865 119.800 -0.267 0.000 2.353 1633 Q HA 0.665 5.006 4.340 0.002 0.000 0.275 1633 Q C -1.604 174.285 176.000 -0.186 0.000 1.029 1633 Q CA -0.618 55.044 55.803 -0.235 0.000 0.848 1633 Q CB 2.191 30.786 28.738 -0.237 0.000 1.390 1633 Q HN 1.572 nan 8.270 nan 0.000 0.401 1634 A N 4.106 126.834 122.820 -0.154 0.000 2.414 1634 A HA 0.750 5.071 4.320 0.002 0.000 0.306 1634 A C -1.285 176.193 177.584 -0.178 0.000 1.054 1634 A CA -0.648 51.294 52.037 -0.160 0.000 0.724 1634 A CB 1.279 20.215 19.000 -0.107 0.000 1.267 1634 A HN 0.608 nan 8.150 nan 0.000 0.418 1635 I N 2.069 122.472 120.570 -0.279 0.000 2.389 1635 I HA 0.521 4.693 4.170 0.002 0.000 0.288 1635 I C 0.590 176.352 176.117 -0.592 0.000 0.999 1635 I CA -0.236 60.820 61.300 -0.408 0.000 1.129 1635 I CB 0.994 38.797 38.000 -0.328 0.000 1.288 1635 I HN 0.743 nan 8.210 nan 0.000 0.444 1636 G N 5.328 113.420 108.800 -1.179 0.000 2.416 1636 G HA2 0.634 4.595 3.960 0.002 0.000 0.329 1636 G HA3 0.634 4.595 3.960 0.002 0.000 0.329 1636 G C -1.036 173.296 174.900 -0.946 0.000 1.173 1636 G CA -0.357 44.020 45.100 -1.206 0.000 0.929 1636 G HN 0.323 nan 8.290 nan 0.000 0.475 1637 V N 2.130 121.693 119.914 -0.585 0.000 2.769 1637 V HA 0.333 4.455 4.120 0.002 0.000 0.312 1637 V C -0.160 175.717 176.094 -0.362 0.000 1.061 1637 V CA -1.095 60.899 62.300 -0.510 0.000 0.931 1637 V CB 1.823 33.242 31.823 -0.674 0.000 1.010 1637 V HN 0.837 nan 8.190 nan 0.000 0.433 1638 H N 5.550 124.414 119.070 -0.343 0.000 2.928 1638 H HA 0.111 4.668 4.556 0.002 0.000 0.338 1638 H C -1.828 173.447 175.328 -0.088 0.000 1.047 1638 H CA -1.289 54.691 56.048 -0.113 0.000 1.435 1638 H CB 1.843 31.622 29.762 0.029 0.000 1.428 1638 H HN 0.325 nan 8.280 nan 0.000 0.590 1639 P HA -0.266 nan 4.420 nan 0.000 0.217 1639 P C 1.392 178.749 177.300 0.095 0.000 1.158 1639 P CA 2.877 65.953 63.100 -0.040 0.000 0.887 1639 P CB 0.118 31.845 31.700 0.046 0.000 0.792 1640 K N -1.365 119.406 120.400 0.619 0.000 2.059 1640 K HA -0.256 4.065 4.320 0.002 0.000 0.212 1640 K C 1.887 178.636 176.600 0.249 0.000 1.050 1640 K CA 1.960 58.526 56.287 0.464 0.000 0.927 1640 K CB -1.681 30.921 32.500 0.169 0.000 0.714 1640 K HN 0.111 nan 8.250 nan 0.000 0.447 1641 Y N 1.088 121.415 120.300 0.044 0.000 2.256 1641 Y HA -0.159 4.392 4.550 0.002 0.000 0.288 1641 Y C 2.334 178.330 175.900 0.160 0.000 1.155 1641 Y CA 1.135 59.284 58.100 0.081 0.000 1.203 1641 Y CB -0.593 37.882 38.460 0.024 0.000 0.980 1641 Y HN 0.136 nan 8.280 nan 0.000 0.530 1642 L N -1.232 119.987 121.223 -0.007 0.000 2.027 1642 L HA -0.153 4.188 4.340 0.002 0.000 0.206 1642 L C 1.888 178.843 176.870 0.143 0.000 1.074 1642 L CA 1.641 56.526 54.840 0.075 0.000 0.745 1642 L CB -0.781 41.086 42.059 -0.320 0.000 0.898 1642 L HN 0.028 nan 8.230 nan 0.000 0.433 1643 F N 0.585 120.673 119.950 0.229 0.000 2.250 1643 F HA -0.075 4.453 4.527 0.002 0.000 0.301 1643 F C 2.491 178.429 175.800 0.229 0.000 1.077 1643 F CA 0.773 58.921 58.000 0.246 0.000 1.348 1643 F CB -1.474 37.678 39.000 0.254 0.000 1.040 1643 F HN 0.218 nan 8.300 nan 0.000 0.509 1644 A N -0.959 122.047 122.820 0.311 0.000 2.239 1644 A HA -0.042 4.279 4.320 0.002 0.000 0.209 1644 A C 2.059 179.773 177.584 0.216 0.000 1.171 1644 A CA 1.436 53.582 52.037 0.181 0.000 0.768 1644 A CB -1.078 17.936 19.000 0.024 0.000 0.790 1644 A HN 0.313 nan 8.150 nan 0.000 0.478 1645 T N 0.196 114.910 114.554 0.265 0.000 3.014 1645 T HA 0.212 4.564 4.350 0.002 0.000 0.263 1645 T C 0.754 175.577 174.700 0.204 0.000 1.078 1645 T CA 0.389 62.612 62.100 0.204 0.000 1.135 1645 T CB -0.245 68.742 68.868 0.198 0.000 0.895 1645 T HN 0.392 nan 8.240 nan 0.000 0.480 1646 L N 0.992 122.379 121.223 0.274 0.000 2.448 1646 L HA 0.487 4.828 4.340 0.002 0.000 0.258 1646 L C -0.208 176.805 176.870 0.237 0.000 1.104 1646 L CA -1.256 53.726 54.840 0.236 0.000 0.800 1646 L CB 0.373 42.592 42.059 0.268 0.000 1.241 1646 L HN -0.028 nan 8.230 nan 0.000 0.472 1647 D N -0.248 120.217 120.400 0.108 0.000 2.225 1647 D HA 0.072 4.713 4.640 0.002 0.000 0.249 1647 D C 0.658 176.768 176.300 -0.316 0.000 1.052 1647 D CA -0.450 53.555 54.000 0.009 0.000 0.909 1647 D CB 1.680 42.478 40.800 -0.002 0.000 1.186 1647 D HN 0.474 nan 8.370 nan 0.000 0.431 1648 K N 1.424 121.333 120.400 -0.818 0.000 2.173 1648 K HA -0.275 4.047 4.320 0.002 0.000 0.207 1648 K C 1.538 177.814 176.600 -0.540 0.000 1.046 1648 K CA 1.580 57.031 56.287 -1.394 0.000 0.929 1648 K CB -0.039 31.562 32.500 -1.498 0.000 0.720 1648 K HN 0.431 nan 8.250 nan 0.000 0.453 1649 A N 1.285 123.933 122.820 -0.286 0.000 1.859 1649 A HA -0.271 4.050 4.320 0.002 0.000 0.217 1649 A C 2.102 179.632 177.584 -0.090 0.000 1.198 1649 A CA 1.943 53.896 52.037 -0.140 0.000 0.629 1649 A CB -0.706 18.250 19.000 -0.073 0.000 0.830 1649 A HN 0.581 nan 8.150 nan 0.000 0.446 1650 Q N -2.019 117.751 119.800 -0.050 0.000 1.967 1650 Q HA -0.205 4.136 4.340 0.002 0.000 0.202 1650 Q C 2.149 178.178 176.000 0.048 0.000 0.985 1650 Q CA 1.770 57.585 55.803 0.019 0.000 0.839 1650 Q CB -0.535 28.239 28.738 0.061 0.000 0.906 1650 Q HN 0.793 nan 8.270 nan 0.000 0.423 1651 Y N 1.750 121.997 120.300 -0.089 0.000 2.139 1651 Y HA -0.296 4.255 4.550 0.002 0.000 0.282 1651 Y C 2.078 177.963 175.900 -0.025 0.000 1.179 1651 Y CA 1.989 60.063 58.100 -0.044 0.000 1.161 1651 Y CB 0.004 38.403 38.460 -0.102 0.000 0.970 1651 Y HN 0.136 nan 8.280 nan 0.000 0.511 1652 E N -0.544 119.626 120.200 -0.051 0.000 2.216 1652 E HA -0.074 4.277 4.350 0.002 0.000 0.192 1652 E C 2.218 178.748 176.600 -0.115 0.000 0.988 1652 E CA 0.618 56.953 56.400 -0.108 0.000 0.834 1652 E CB -0.177 29.472 29.700 -0.086 0.000 0.772 1652 E HN 0.593 nan 8.360 nan 0.000 0.479 1653 A N 0.330 123.111 122.820 -0.065 0.000 1.898 1653 A HA -0.195 4.126 4.320 0.002 0.000 0.216 1653 A C 1.976 179.540 177.584 -0.033 0.000 1.181 1653 A CA 1.284 53.299 52.037 -0.036 0.000 0.620 1653 A CB -0.753 18.247 19.000 -0.001 0.000 0.819 1653 A HN 0.543 nan 8.150 nan 0.000 0.442 1654 Y N 0.128 120.332 120.300 -0.160 0.000 2.181 1654 Y HA -0.262 4.289 4.550 0.002 0.000 0.288 1654 Y C 2.391 178.159 175.900 -0.221 0.000 1.146 1654 Y CA 1.621 59.621 58.100 -0.165 0.000 1.164 1654 Y CB -0.850 37.514 38.460 -0.160 0.000 0.982 1654 Y HN 0.323 nan 8.280 nan 0.000 0.515 1655 C N -0.236 118.793 119.300 -0.452 0.000 2.410 1655 C HA -0.147 4.314 4.460 0.002 0.000 0.281 1655 C C 2.703 177.491 174.990 -0.337 0.000 1.318 1655 C CA 1.136 59.841 59.018 -0.521 0.000 1.776 1655 C CB -1.272 26.218 27.740 -0.417 0.000 1.942 1655 C HN 0.570 nan 8.230 nan 0.000 0.508 1656 V N 0.555 120.329 119.914 -0.234 0.000 2.488 1656 V HA -0.153 3.969 4.120 0.002 0.000 0.246 1656 V C 2.370 178.373 176.094 -0.151 0.000 1.046 1656 V CA 1.560 63.769 62.300 -0.151 0.000 1.053 1656 V CB -0.578 31.186 31.823 -0.098 0.000 0.679 1656 V HN 0.538 nan 8.190 nan 0.000 0.458 1657 K N 0.213 120.505 120.400 -0.180 0.000 1.991 1657 K HA -0.161 4.160 4.320 0.002 0.000 0.212 1657 K C 2.158 178.654 176.600 -0.174 0.000 1.049 1657 K CA 1.716 57.913 56.287 -0.150 0.000 0.932 1657 K CB -0.610 31.807 32.500 -0.138 0.000 0.717 1657 K HN 0.274 nan 8.250 nan 0.000 0.441 1658 V N 1.825 121.534 119.914 -0.342 0.000 2.231 1658 V HA -0.339 3.782 4.120 0.002 0.000 0.250 1658 V C 2.249 178.333 176.094 -0.017 0.000 1.058 1658 V CA 1.947 64.104 62.300 -0.237 0.000 1.022 1658 V CB -0.535 31.015 31.823 -0.453 0.000 0.640 1658 V HN 0.405 nan 8.190 nan 0.000 0.445 1659 Q N -0.821 118.930 119.800 -0.083 0.000 2.291 1659 Q HA -0.124 4.217 4.340 0.002 0.000 0.206 1659 Q C 2.265 178.234 176.000 -0.053 0.000 0.976 1659 Q CA 1.382 57.154 55.803 -0.052 0.000 0.875 1659 Q CB -0.315 28.375 28.738 -0.080 0.000 0.927 1659 Q HN 0.730 nan 8.270 nan 0.000 0.450 1660 A N 1.033 123.826 122.820 -0.044 0.000 1.872 1660 A HA -0.131 4.190 4.320 0.002 0.000 0.214 1660 A C 1.966 179.549 177.584 -0.001 0.000 1.187 1660 A CA 0.805 52.823 52.037 -0.032 0.000 0.614 1660 A CB -0.265 18.716 19.000 -0.032 0.000 0.826 1660 A HN 0.156 nan 8.150 nan 0.000 0.442 1661 R N -0.788 119.741 120.500 0.049 0.000 2.094 1661 R HA -0.201 4.140 4.340 0.002 0.000 0.239 1661 R C 2.518 178.900 176.300 0.137 0.000 1.137 1661 R CA 1.718 57.895 56.100 0.128 0.000 0.943 1661 R CB -0.411 30.017 30.300 0.214 0.000 0.850 1661 R HN 0.645 nan 8.270 nan 0.000 0.433 1662 Q N 1.256 121.102 119.800 0.077 0.000 2.152 1662 Q HA -0.220 4.121 4.340 0.002 0.000 0.206 1662 Q C 1.616 177.462 176.000 -0.257 0.000 0.985 1662 Q CA 1.811 57.274 55.803 -0.567 0.000 0.863 1662 Q CB 0.035 28.308 28.738 -0.775 0.000 0.904 1662 Q HN 0.263 nan 8.270 nan 0.000 0.422 1663 K N -0.070 120.257 120.400 -0.122 0.000 2.103 1663 K HA -0.088 4.234 4.320 0.002 0.000 0.204 1663 K C 2.241 178.858 176.600 0.028 0.000 1.052 1663 K CA 1.178 57.424 56.287 -0.067 0.000 0.945 1663 K CB 0.121 32.570 32.500 -0.085 0.000 0.722 1663 K HN 0.097 nan 8.250 nan 0.000 0.443 1664 K N 0.450 120.861 120.400 0.018 0.000 2.002 1664 K HA -0.112 4.209 4.320 0.002 0.000 0.209 1664 K C 2.195 178.833 176.600 0.064 0.000 1.048 1664 K CA 1.392 57.702 56.287 0.039 0.000 0.930 1664 K CB -0.241 32.263 32.500 0.007 0.000 0.714 1664 K HN 0.112 nan 8.250 nan 0.000 0.438 1665 A N 1.095 123.927 122.820 0.020 0.000 1.859 1665 A HA -0.273 4.048 4.320 0.002 0.000 0.217 1665 A C 2.121 179.641 177.584 -0.106 0.000 1.198 1665 A CA 1.907 53.911 52.037 -0.056 0.000 0.629 1665 A CB -1.171 17.765 19.000 -0.107 0.000 0.830 1665 A HN 0.492 nan 8.150 nan 0.000 0.446 1666 Y N 0.491 120.667 120.300 -0.207 0.000 2.102 1666 Y HA -0.349 4.202 4.550 0.002 0.000 0.280 1666 Y C 2.571 178.551 175.900 0.134 0.000 1.178 1666 Y CA 2.755 60.840 58.100 -0.024 0.000 1.146 1666 Y CB -0.344 38.105 38.460 -0.017 0.000 0.968 1666 Y HN 0.357 nan 8.280 nan 0.000 0.504 1667 R N -0.723 119.940 120.500 0.273 0.000 2.080 1667 R HA -0.235 4.106 4.340 0.002 0.000 0.236 1667 R C 2.231 178.619 176.300 0.146 0.000 1.137 1667 R CA 2.005 58.218 56.100 0.189 0.000 0.943 1667 R CB -0.891 29.518 30.300 0.183 0.000 0.846 1667 R HN 0.451 nan 8.270 nan 0.000 0.431 1668 F N 0.788 120.738 119.950 0.000 0.000 2.046 1668 F HA -0.224 4.304 4.527 0.002 0.000 0.297 1668 F C 1.998 177.787 175.800 -0.017 0.000 1.123 1668 F CA 1.720 59.711 58.000 -0.016 0.000 1.199 1668 F CB -1.030 37.955 39.000 -0.025 0.000 0.972 1668 F HN 0.095 nan 8.300 nan 0.000 0.474 1669 F N 0.392 120.239 119.950 -0.171 0.000 2.115 1669 F HA -0.328 4.201 4.527 0.002 0.000 0.300 1669 F C 2.769 178.371 175.800 -0.330 0.000 1.092 1669 F CA 2.456 60.295 58.000 -0.268 0.000 1.245 1669 F CB -0.762 38.132 39.000 -0.177 0.000 0.995 1669 F HN 0.113 nan 8.300 nan 0.000 0.481 1670 H N -0.736 118.204 119.070 -0.215 0.000 2.395 1670 H HA -0.116 4.441 4.556 0.002 0.000 0.299 1670 H C 2.003 177.120 175.328 -0.351 0.000 1.070 1670 H CA 1.436 57.288 56.048 -0.327 0.000 1.356 1670 H CB -0.482 29.104 29.762 -0.293 0.000 1.401 1670 H HN 0.331 nan 8.280 nan 0.000 0.524 1671 N N 0.712 119.305 118.700 -0.177 0.000 2.069 1671 N HA -0.119 4.622 4.740 0.002 0.000 0.191 1671 N C 2.239 177.570 175.510 -0.298 0.000 1.031 1671 N CA 1.725 54.660 53.050 -0.191 0.000 0.852 1671 N CB -0.643 37.768 38.487 -0.128 0.000 1.018 1671 N HN 0.293 nan 8.380 nan 0.000 0.423 1672 G N 1.227 109.734 108.800 -0.489 0.000 2.480 1672 G HA2 -0.210 3.751 3.960 0.002 0.000 0.216 1672 G HA3 -0.210 3.751 3.960 0.002 0.000 0.216 1672 G C 1.583 176.253 174.900 -0.383 0.000 1.200 1672 G CA 0.829 45.643 45.100 -0.477 0.000 0.782 1672 G HN 0.329 nan 8.290 nan 0.000 0.554 1673 L N 0.026 120.845 121.223 -0.673 0.000 2.051 1673 L HA -0.155 4.187 4.340 0.002 0.000 0.214 1673 L C 2.945 179.727 176.870 -0.146 0.000 1.076 1673 L CA 1.397 55.773 54.840 -0.773 0.000 0.758 1673 L CB -0.436 40.981 42.059 -1.070 0.000 0.890 1673 L HN 0.282 nan 8.230 nan 0.000 0.433 1674 I N -0.424 120.048 120.570 -0.163 0.000 2.333 1674 I HA -0.220 3.951 4.170 0.002 0.000 0.246 1674 I C 1.252 177.378 176.117 0.016 0.000 1.106 1674 I CA 1.042 62.315 61.300 -0.045 0.000 1.411 1674 I CB -0.091 37.821 38.000 -0.146 0.000 1.082 1674 I HN 0.307 nan 8.210 nan 0.000 0.420 1675 N N 0.937 119.617 118.700 -0.034 0.000 2.214 1675 N HA 0.068 4.809 4.740 0.002 0.000 0.214 1675 N C -0.389 175.121 175.510 0.001 0.000 1.132 1675 N CA 0.072 53.110 53.050 -0.021 0.000 0.856 1675 N CB 0.008 38.465 38.487 -0.049 0.000 1.020 1675 N HN 0.144 nan 8.380 nan 0.000 0.509 1676 N N 0.497 119.226 118.700 0.049 0.000 2.735 1676 N HA -0.197 4.545 4.740 0.002 0.000 0.248 1676 N C -0.402 175.140 175.510 0.052 0.000 1.083 1676 N CA 0.700 53.795 53.050 0.076 0.000 0.703 1676 N CB -0.977 37.515 38.487 0.008 0.000 1.005 1676 N HN 0.409 nan 8.380 nan 0.000 0.550 1677 K N 0.466 120.863 120.400 -0.004 0.000 2.896 1677 K HA 0.329 4.650 4.320 0.002 0.000 0.210 1677 K C 1.447 178.014 176.600 -0.055 0.000 1.116 1677 K CA -0.278 56.015 56.287 0.010 0.000 1.050 1677 K CB 0.464 32.957 32.500 -0.011 0.000 0.812 1677 K HN 0.124 nan 8.250 nan 0.000 0.462 1678 L N 0.255 121.492 121.223 0.023 0.000 2.275 1678 L HA 0.024 4.365 4.340 0.002 0.000 0.215 1678 L C 0.390 177.425 176.870 0.275 0.000 1.119 1678 L CA 1.040 55.911 54.840 0.052 0.000 0.790 1678 L CB -0.023 42.180 42.059 0.240 0.000 0.919 1678 L HN 0.251 nan 8.230 nan 0.000 0.443 1679 F N -0.009 120.041 119.950 0.168 0.000 2.467 1679 F HA 0.482 5.010 4.527 0.002 0.000 0.336 1679 F C -0.660 175.221 175.800 0.135 0.000 1.123 1679 F CA -0.684 57.415 58.000 0.166 0.000 0.964 1679 F CB 1.536 40.627 39.000 0.151 0.000 1.136 1679 F HN -0.482 nan 8.300 nan 0.000 0.447 1680 V N 6.469 126.296 119.914 -0.145 0.000 2.409 1680 V HA 0.552 4.673 4.120 0.002 0.000 0.290 1680 V C -0.051 175.924 176.094 -0.198 0.000 1.017 1680 V CA -0.798 61.493 62.300 -0.016 0.000 0.841 1680 V CB 1.248 33.096 31.823 0.042 0.000 1.003 1680 V HN 0.973 nan 8.190 nan 0.000 0.426 1681 A N 6.283 129.159 122.820 0.093 0.000 2.488 1681 A HA 0.412 4.734 4.320 0.002 0.000 0.249 1681 A C 0.381 177.986 177.584 0.036 0.000 1.083 1681 A CA -0.063 52.056 52.037 0.137 0.000 0.768 1681 A CB 0.143 19.328 19.000 0.308 0.000 1.017 1681 A HN 0.652 nan 8.150 nan 0.000 0.496 1682 K N 1.691 122.091 120.400 0.001 0.000 2.218 1682 K HA 0.150 4.472 4.320 0.002 0.000 0.276 1682 K C -0.452 176.192 176.600 0.072 0.000 1.022 1682 K CA -0.288 55.996 56.287 -0.006 0.000 0.946 1682 K CB 1.285 33.751 32.500 -0.057 0.000 1.000 1682 K HN 0.683 nan 8.250 nan 0.000 0.468 1683 D N 0.749 121.193 120.400 0.074 0.000 2.380 1683 D HA 0.058 4.699 4.640 0.002 0.000 0.212 1683 D C -0.222 176.127 176.300 0.080 0.000 1.021 1683 D CA 0.925 54.974 54.000 0.082 0.000 0.884 1683 D CB 0.643 41.484 40.800 0.068 0.000 1.001 1683 D HN 0.116 nan 8.370 nan 0.000 0.506 1684 K N 0.271 120.726 120.400 0.092 0.000 2.469 1684 K HA 0.685 5.007 4.320 0.002 0.000 0.254 1684 K C -0.700 175.954 176.600 0.090 0.000 0.939 1684 K CA -0.778 55.547 56.287 0.063 0.000 0.812 1684 K CB 2.479 35.005 32.500 0.043 0.000 1.301 1684 K HN -0.063 nan 8.250 nan 0.000 0.433 1685 A N 2.570 125.351 122.820 -0.065 0.000 2.409 1685 A HA 0.260 4.581 4.320 0.002 0.000 0.246 1685 A C -1.548 175.862 177.584 -0.289 0.000 1.099 1685 A CA -0.449 51.446 52.037 -0.237 0.000 0.789 1685 A CB -0.403 18.140 19.000 -0.762 0.000 1.053 1685 A HN 0.442 nan 8.150 nan 0.000 0.503 1686 P HA 0.021 nan 4.420 nan 0.000 0.223 1686 P C -0.574 176.817 177.300 0.151 0.000 1.151 1686 P CA 1.178 64.184 63.100 -0.155 0.000 0.787 1686 P CB -0.139 31.551 31.700 -0.018 0.000 0.788 1687 Y N -1.761 118.601 120.300 0.103 0.000 2.409 1687 Y HA 0.559 5.111 4.550 0.002 0.000 0.339 1687 Y C 0.380 176.296 175.900 0.027 0.000 1.033 1687 Y CA -1.941 56.187 58.100 0.046 0.000 1.094 1687 Y CB 0.635 38.998 38.460 -0.160 0.000 1.210 1687 Y HN -0.237 nan 8.280 nan 0.000 0.456 1688 E N 1.713 122.003 120.200 0.149 0.000 2.422 1688 E HA -0.058 4.294 4.350 0.002 0.000 0.260 1688 E C -0.197 176.478 176.600 0.126 0.000 1.108 1688 E CA 0.004 56.456 56.400 0.088 0.000 0.943 1688 E CB 0.573 30.317 29.700 0.072 0.000 0.961 1688 E HN 0.714 nan 8.360 nan 0.000 0.443 1689 D N 1.038 121.481 120.400 0.072 0.000 2.144 1689 D HA -0.168 4.474 4.640 0.002 0.000 0.200 1689 D C 1.806 178.126 176.300 0.034 0.000 0.978 1689 D CA 0.879 54.918 54.000 0.066 0.000 0.833 1689 D CB -0.149 40.665 40.800 0.024 0.000 0.961 1689 D HN 0.407 nan 8.370 nan 0.000 0.470 1690 R N 1.149 121.665 120.500 0.027 0.000 2.119 1690 R HA -0.191 4.150 4.340 0.002 0.000 0.246 1690 R C 1.881 178.177 176.300 -0.007 0.000 1.146 1690 R CA 1.507 57.611 56.100 0.007 0.000 0.962 1690 R CB -0.502 29.808 30.300 0.016 0.000 0.863 1690 R HN 0.256 nan 8.270 nan 0.000 0.442 1691 I N 0.647 121.226 120.570 0.014 0.000 2.876 1691 I HA -0.109 4.063 4.170 0.002 0.000 0.264 1691 I C 2.689 178.739 176.117 -0.113 0.000 1.204 1691 I CA 0.515 61.801 61.300 -0.023 0.000 1.485 1691 I CB -0.458 37.551 38.000 0.015 0.000 1.103 1691 I HN 0.325 nan 8.210 nan 0.000 0.446 1692 Q N 1.806 121.535 119.800 -0.119 0.000 2.047 1692 Q HA -0.282 4.059 4.340 0.002 0.000 0.211 1692 Q C 2.276 178.008 176.000 -0.445 0.000 1.005 1692 Q CA 3.061 58.650 55.803 -0.356 0.000 0.866 1692 Q CB -0.097 28.476 28.738 -0.276 0.000 0.938 1692 Q HN 0.460 nan 8.270 nan 0.000 0.414 1693 S N 0.631 116.118 115.700 -0.355 0.000 2.380 1693 S HA -0.214 4.258 4.470 0.002 0.000 0.229 1693 S C 1.762 176.277 174.600 -0.141 0.000 1.043 1693 S CA 1.755 59.783 58.200 -0.285 0.000 1.038 1693 S CB -0.260 62.829 63.200 -0.185 0.000 0.872 1693 S HN 0.380 nan 8.310 nan 0.000 0.456 1694 K N 0.669 120.998 120.400 -0.117 0.000 2.002 1694 K HA -0.049 4.272 4.320 0.002 0.000 0.209 1694 K C 2.151 178.716 176.600 -0.059 0.000 1.048 1694 K CA 1.398 57.644 56.287 -0.068 0.000 0.930 1694 K CB -0.698 31.768 32.500 -0.056 0.000 0.714 1694 K HN 0.216 nan 8.250 nan 0.000 0.438 1695 V N 1.349 121.181 119.914 -0.137 0.000 2.324 1695 V HA -0.260 3.861 4.120 0.002 0.000 0.250 1695 V C 2.114 178.181 176.094 -0.045 0.000 1.060 1695 V CA 1.861 64.026 62.300 -0.224 0.000 1.042 1695 V CB -0.688 30.722 31.823 -0.689 0.000 0.650 1695 V HN 0.219 nan 8.190 nan 0.000 0.450 1696 F N -0.755 119.007 119.950 -0.313 0.000 2.171 1696 F HA -0.127 4.402 4.527 0.002 0.000 0.300 1696 F C 2.089 177.880 175.800 -0.015 0.000 1.090 1696 F CA 1.188 59.090 58.000 -0.163 0.000 1.293 1696 F CB -0.087 38.794 39.000 -0.198 0.000 1.013 1696 F HN 0.102 nan 8.300 nan 0.000 0.486 1697 L N -0.878 120.416 121.223 0.118 0.000 2.416 1697 L HA -0.002 4.339 4.340 0.002 0.000 0.216 1697 L C 0.401 177.249 176.870 -0.036 0.000 1.098 1697 L CA 0.003 54.863 54.840 0.034 0.000 0.840 1697 L CB -0.249 41.817 42.059 0.012 0.000 0.981 1697 L HN 0.002 nan 8.230 nan 0.000 0.462 1698 N N 0.784 119.456 118.700 -0.047 0.000 2.439 1698 N HA 0.152 4.893 4.740 0.002 0.000 0.249 1698 N C -2.147 173.222 175.510 -0.236 0.000 1.003 1698 N CA -2.201 50.794 53.050 -0.090 0.000 0.942 1698 N CB 1.426 39.894 38.487 -0.033 0.000 1.115 1698 N HN -0.189 nan 8.380 nan 0.000 0.505 1699 P HA 0.004 nan 4.420 nan 0.000 0.242 1699 P C 0.633 177.748 177.300 -0.308 0.000 1.197 1699 P CA 0.712 63.446 63.100 -0.610 0.000 0.765 1699 P CB 0.455 31.958 31.700 -0.329 0.000 0.936 1700 Q N -0.430 119.297 119.800 -0.123 0.000 2.259 1700 Q HA 0.055 4.397 4.340 0.002 0.000 0.201 1700 Q C 0.796 176.848 176.000 0.087 0.000 0.938 1700 Q CA 0.470 56.270 55.803 -0.005 0.000 0.872 1700 Q CB -0.569 28.170 28.738 0.001 0.000 0.971 1700 Q HN 0.294 nan 8.270 nan 0.000 0.494 1701 S N 1.893 117.668 115.700 0.124 0.000 2.784 1701 S HA 0.044 4.515 4.470 0.002 0.000 0.322 1701 S C 0.100 174.931 174.600 0.384 0.000 1.234 1701 S CA 0.236 58.592 58.200 0.259 0.000 1.064 1701 S CB 0.373 63.732 63.200 0.265 0.000 0.787 1701 S HN 0.124 nan 8.310 nan 0.000 0.506 1702 R N 1.460 122.084 120.500 0.208 0.000 2.836 1702 R HA 0.603 4.944 4.340 0.002 0.000 0.269 1702 R C -1.249 174.835 176.300 -0.361 0.000 1.010 1702 R CA -1.068 55.010 56.100 -0.036 0.000 0.930 1702 R CB 1.702 31.998 30.300 -0.006 0.000 1.218 1702 R HN 0.500 nan 8.270 nan 0.000 0.473 1703 V N 1.547 121.114 119.914 -0.577 0.000 2.546 1703 V HA 0.234 4.356 4.120 0.002 0.000 0.284 1703 V C 0.285 176.218 176.094 -0.268 0.000 1.050 1703 V CA -0.081 61.862 62.300 -0.595 0.000 0.981 1703 V CB 1.568 33.023 31.823 -0.613 0.000 0.990 1703 V HN 0.903 nan 8.190 nan 0.000 0.474 1704 T N 3.012 117.458 114.554 -0.180 0.000 2.824 1704 T HA 0.448 4.799 4.350 0.002 0.000 0.280 1704 T C -0.309 174.348 174.700 -0.072 0.000 0.995 1704 T CA -0.606 61.432 62.100 -0.103 0.000 1.009 1704 T CB 1.395 70.228 68.868 -0.058 0.000 0.955 1704 T HN 0.690 nan 8.240 nan 0.000 0.452 1705 Q N 1.870 121.633 119.800 -0.060 0.000 2.395 1705 Q HA 0.151 4.492 4.340 0.002 0.000 0.271 1705 Q C -0.139 175.851 176.000 -0.017 0.000 1.026 1705 Q CA 0.240 56.023 55.803 -0.035 0.000 0.900 1705 Q CB 0.517 29.233 28.738 -0.036 0.000 1.266 1705 Q HN 0.718 nan 8.270 nan 0.000 0.430 1706 E N 0.578 120.777 120.200 -0.003 0.000 2.334 1706 E HA 0.164 4.515 4.350 0.002 0.000 0.256 1706 E C 0.766 177.371 176.600 0.007 0.000 0.958 1706 E CA -0.055 56.349 56.400 0.006 0.000 0.821 1706 E CB 1.443 31.154 29.700 0.019 0.000 1.269 1706 E HN 0.792 nan 8.360 nan 0.000 0.413 1707 S N 0.492 116.198 115.700 0.011 0.000 2.442 1707 S HA -0.154 4.318 4.470 0.002 0.000 0.236 1707 S C 1.004 175.611 174.600 0.011 0.000 1.007 1707 S CA 1.036 59.242 58.200 0.010 0.000 0.965 1707 S CB -0.363 62.844 63.200 0.011 0.000 0.773 1707 S HN 0.482 nan 8.310 nan 0.000 0.504 1708 N N 0.815 119.524 118.700 0.015 0.000 2.320 1708 N HA 0.282 5.024 4.740 0.002 0.000 0.237 1708 N C 1.011 176.529 175.510 0.015 0.000 1.129 1708 N CA 0.309 53.369 53.050 0.016 0.000 0.854 1708 N CB -0.232 38.268 38.487 0.022 0.000 1.083 1708 N HN 0.434 nan 8.380 nan 0.000 0.504 1709 G N -0.164 108.642 108.800 0.009 0.000 2.196 1709 G HA2 -0.329 3.632 3.960 0.002 0.000 0.268 1709 G HA3 -0.329 3.632 3.960 0.002 0.000 0.268 1709 G C -0.176 174.728 174.900 0.008 0.000 0.975 1709 G CA 0.417 45.519 45.100 0.003 0.000 0.648 1709 G HN 0.521 nan 8.290 nan 0.000 0.538 1710 E N -0.401 119.813 120.200 0.023 0.000 2.319 1710 E HA 0.536 4.887 4.350 0.002 0.000 0.268 1710 E C 0.353 176.986 176.600 0.055 0.000 1.050 1710 E CA -0.649 55.780 56.400 0.048 0.000 0.878 1710 E CB 0.937 30.676 29.700 0.064 0.000 1.066 1710 E HN 0.214 nan 8.360 nan 0.000 0.406 1711 L N 3.033 124.320 121.223 0.107 0.000 2.264 1711 L HA 0.362 4.703 4.340 0.002 0.000 0.289 1711 L C -0.055 176.852 176.870 0.062 0.000 1.044 1711 L CA -0.040 54.849 54.840 0.083 0.000 0.807 1711 L CB 0.528 42.674 42.059 0.146 0.000 1.192 1711 L HN 0.341 nan 8.230 nan 0.000 0.425 1712 K N 2.944 123.337 120.400 -0.013 0.000 2.508 1712 K HA 0.472 4.794 4.320 0.002 0.000 0.260 1712 K C -1.200 175.377 176.600 -0.038 0.000 0.949 1712 K CA -0.801 55.491 56.287 0.008 0.000 0.834 1712 K CB 2.534 35.078 32.500 0.074 0.000 1.365 1712 K HN 0.099 nan 8.250 nan 0.000 0.437 1713 F N 2.489 122.455 119.950 0.028 0.000 2.538 1713 F HA 0.159 4.687 4.527 0.002 0.000 0.371 1713 F C -1.654 174.172 175.800 0.043 0.000 1.087 1713 F CA -1.372 56.655 58.000 0.044 0.000 1.250 1713 F CB 0.048 39.095 39.000 0.077 0.000 1.110 1713 F HN 0.206 nan 8.300 nan 0.000 0.570 1714 P HA 0.164 nan 4.420 nan 0.000 0.268 1714 P C -0.643 176.735 177.300 0.130 0.000 1.204 1714 P CA -0.108 63.064 63.100 0.119 0.000 0.768 1714 P CB 0.638 32.388 31.700 0.082 0.000 0.842 1715 A N 0.000 122.877 122.820 0.095 0.000 2.254 1715 A HA 0.000 4.321 4.320 0.002 0.000 0.244 1715 A CA 0.000 52.082 52.037 0.075 0.000 0.836 1715 A CB 0.000 19.038 19.000 0.064 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486