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 2uv9_1_F 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 ESQIMXXXXX 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 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 R N 0.870 121.375 120.500 0.007 0.000 2.347 2 R HA 0.228 4.567 4.340 -0.001 0.000 0.304 2 R C -1.707 174.597 176.300 0.007 0.000 1.072 2 R CA -1.323 54.781 56.100 0.006 0.000 0.980 2 R CB 0.426 30.729 30.300 0.005 0.000 0.986 2 R HN -0.087 nan 8.270 nan 0.000 0.448 3 P HA -0.188 nan 4.420 nan 0.000 0.215 3 P C 0.645 177.949 177.300 0.006 0.000 1.157 3 P CA 1.111 64.215 63.100 0.008 0.000 0.868 3 P CB 0.283 31.987 31.700 0.006 0.000 0.788 4 E N -0.451 119.749 120.200 0.001 0.000 2.130 4 E HA -0.122 4.227 4.350 -0.001 0.000 0.196 4 E C 2.085 178.683 176.600 -0.004 0.000 0.998 4 E CA 1.034 57.431 56.400 -0.005 0.000 0.806 4 E CB -1.149 28.547 29.700 -0.008 0.000 0.738 4 E HN 0.144 nan 8.360 nan 0.000 0.459 5 V N 1.429 121.344 119.914 0.003 0.000 2.302 5 V HA -0.188 3.931 4.120 -0.001 0.000 0.243 5 V C 2.224 178.328 176.094 0.017 0.000 1.036 5 V CA 1.558 63.862 62.300 0.007 0.000 1.020 5 V CB -0.455 31.373 31.823 0.008 0.000 0.657 5 V HN 0.207 nan 8.190 nan 0.000 0.453 6 E N -0.357 119.854 120.200 0.019 0.000 2.171 6 E HA -0.303 4.046 4.350 -0.001 0.000 0.197 6 E C 2.292 178.916 176.600 0.040 0.000 0.997 6 E CA 1.478 57.894 56.400 0.027 0.000 0.810 6 E CB -0.102 29.611 29.700 0.023 0.000 0.738 6 E HN 0.623 nan 8.360 nan 0.000 0.467 7 Q N 0.476 120.296 119.800 0.034 0.000 1.942 7 Q HA -0.188 4.151 4.340 -0.001 0.000 0.203 7 Q C 2.100 178.144 176.000 0.073 0.000 0.987 7 Q CA 1.364 57.196 55.803 0.048 0.000 0.844 7 Q CB -0.090 28.659 28.738 0.018 0.000 0.911 7 Q HN 0.350 nan 8.270 nan 0.000 0.423 8 E N 0.315 120.529 120.200 0.024 0.000 2.209 8 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 8 E C 1.961 178.628 176.600 0.112 0.000 0.993 8 E CA 0.613 57.023 56.400 0.016 0.000 0.819 8 E CB -0.025 29.655 29.700 -0.034 0.000 0.745 8 E HN 0.154 nan 8.360 nan 0.000 0.477 9 L N 0.957 122.233 121.223 0.089 0.000 1.982 9 L HA -0.093 4.246 4.340 -0.001 0.000 0.206 9 L C 2.477 179.411 176.870 0.107 0.000 1.078 9 L CA 1.928 56.820 54.840 0.087 0.000 0.749 9 L CB -1.073 41.019 42.059 0.054 0.000 0.894 9 L HN 0.036 nan 8.230 nan 0.000 0.436 10 A N -1.621 121.254 122.820 0.092 0.000 1.997 10 A HA -0.335 3.984 4.320 -0.001 0.000 0.221 10 A C 2.287 179.931 177.584 0.100 0.000 1.172 10 A CA 2.138 54.222 52.037 0.078 0.000 0.645 10 A CB -1.193 17.846 19.000 0.065 0.000 0.813 10 A HN 0.564 nan 8.150 nan 0.000 0.454 11 Y N 1.410 121.722 120.300 0.019 0.000 2.036 11 Y HA -0.270 4.279 4.550 -0.001 0.000 0.273 11 Y C 2.744 178.661 175.900 0.029 0.000 1.135 11 Y CA 2.877 60.990 58.100 0.022 0.000 1.106 11 Y CB -0.738 37.733 38.460 0.020 0.000 0.976 11 Y HN 0.335 nan 8.280 nan 0.000 0.483 12 T N 1.282 115.986 114.554 0.250 0.000 2.915 12 T HA -0.163 4.186 4.350 -0.001 0.000 0.269 12 T C 1.747 176.465 174.700 0.030 0.000 1.071 12 T CA 1.137 63.310 62.100 0.122 0.000 1.132 12 T CB -0.599 68.397 68.868 0.214 0.000 0.878 12 T HN 0.299 nan 8.240 nan 0.000 0.479 13 L N 1.268 122.516 121.223 0.041 0.000 2.017 13 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 13 L C 2.168 179.037 176.870 -0.003 0.000 1.073 13 L CA 1.493 56.346 54.840 0.023 0.000 0.745 13 L CB -1.084 40.991 42.059 0.027 0.000 0.894 13 L HN 0.168 nan 8.230 nan 0.000 0.432 14 L N -0.846 120.355 121.223 -0.036 0.000 1.989 14 L HA -0.181 4.158 4.340 -0.001 0.000 0.211 14 L C 2.596 179.411 176.870 -0.092 0.000 1.071 14 L CA 2.036 56.837 54.840 -0.065 0.000 0.749 14 L CB -0.927 41.077 42.059 -0.092 0.000 0.890 14 L HN 0.202 nan 8.230 nan 0.000 0.431 15 V N 0.294 120.094 119.914 -0.189 0.000 2.380 15 V HA -0.263 3.856 4.120 -0.001 0.000 0.251 15 V C 2.656 178.734 176.094 -0.026 0.000 1.063 15 V CA 1.734 63.926 62.300 -0.180 0.000 1.055 15 V CB -0.557 31.089 31.823 -0.295 0.000 0.657 15 V HN 0.453 nan 8.190 nan 0.000 0.455 16 E N -0.154 120.067 120.200 0.036 0.000 2.046 16 E HA -0.096 4.254 4.350 -0.001 0.000 0.190 16 E C 2.272 178.993 176.600 0.202 0.000 0.982 16 E CA 0.823 57.325 56.400 0.171 0.000 0.800 16 E CB -0.396 29.400 29.700 0.160 0.000 0.756 16 E HN 0.489 nan 8.360 nan 0.000 0.449 17 L N 0.808 122.088 121.223 0.095 0.000 2.013 17 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 17 L C 2.584 179.503 176.870 0.081 0.000 1.073 17 L CA 1.168 56.055 54.840 0.078 0.000 0.753 17 L CB -0.401 41.676 42.059 0.030 0.000 0.890 17 L HN 0.125 nan 8.230 nan 0.000 0.432 18 L N -1.218 120.027 121.223 0.037 0.000 2.005 18 L HA -0.206 4.134 4.340 -0.001 0.000 0.207 18 L C 2.884 179.771 176.870 0.030 0.000 1.072 18 L CA 1.197 56.038 54.840 0.001 0.000 0.744 18 L CB -0.993 41.047 42.059 -0.033 0.000 0.895 18 L HN 0.275 nan 8.230 nan 0.000 0.433 19 A N -0.146 122.716 122.820 0.070 0.000 1.884 19 A HA -0.282 4.037 4.320 -0.001 0.000 0.219 19 A C 1.974 179.628 177.584 0.116 0.000 1.197 19 A CA 2.012 54.094 52.037 0.075 0.000 0.637 19 A CB -1.117 17.868 19.000 -0.024 0.000 0.827 19 A HN 0.463 nan 8.150 nan 0.000 0.450 20 Y N -0.456 119.920 120.300 0.126 0.000 2.546 20 Y HA -0.014 4.535 4.550 -0.001 0.000 0.287 20 Y C 2.419 178.392 175.900 0.123 0.000 1.158 20 Y CA 0.862 59.042 58.100 0.133 0.000 1.307 20 Y CB -0.098 38.406 38.460 0.072 0.000 1.036 20 Y HN 0.477 nan 8.280 nan 0.000 0.532 21 Q N -0.077 119.824 119.800 0.168 0.000 2.181 21 Q HA -0.218 4.121 4.340 -0.001 0.000 0.205 21 Q C 1.473 177.493 176.000 0.033 0.000 0.980 21 Q CA 1.543 57.377 55.803 0.051 0.000 0.862 21 Q CB -0.280 28.421 28.738 -0.062 0.000 0.905 21 Q HN 0.476 nan 8.270 nan 0.000 0.429 22 F N 0.451 120.413 119.950 0.020 0.000 2.045 22 F HA -0.273 4.254 4.527 -0.001 0.000 0.297 22 F C 2.186 178.000 175.800 0.024 0.000 1.114 22 F CA 1.775 59.778 58.000 0.005 0.000 1.207 22 F CB -0.450 38.536 39.000 -0.023 0.000 0.964 22 F HN 0.168 nan 8.300 nan 0.000 0.486 23 A N -1.155 121.835 122.820 0.283 0.000 2.423 23 A HA 0.289 4.609 4.320 -0.001 0.000 0.246 23 A C 0.424 178.097 177.584 0.149 0.000 1.278 23 A CA -0.013 52.136 52.037 0.186 0.000 0.903 23 A CB -0.292 18.809 19.000 0.168 0.000 0.997 23 A HN 0.063 nan 8.150 nan 0.000 0.510 24 M N 0.753 120.435 119.600 0.136 0.000 2.311 24 M HA 0.406 4.885 4.480 -0.001 0.000 0.325 24 M C -2.779 173.564 176.300 0.073 0.000 1.061 24 M CA -2.623 52.735 55.300 0.097 0.000 0.957 24 M CB 0.729 33.386 32.600 0.096 0.000 1.646 24 M HN -0.115 nan 8.290 nan 0.000 0.434 25 P HA 0.123 nan 4.420 nan 0.000 0.269 25 P C -0.648 176.687 177.300 0.059 0.000 1.217 25 P CA -0.388 62.744 63.100 0.053 0.000 0.783 25 P CB 0.382 32.110 31.700 0.047 0.000 0.898 26 V N 3.524 123.476 119.914 0.062 0.000 2.339 26 V HA 0.161 4.280 4.120 -0.001 0.000 0.261 26 V C 1.215 177.384 176.094 0.125 0.000 1.058 26 V CA -0.458 61.895 62.300 0.088 0.000 0.897 26 V CB -0.205 31.660 31.823 0.071 0.000 1.052 26 V HN 0.494 nan 8.190 nan 0.000 0.480 27 R N 4.514 125.083 120.500 0.116 0.000 4.164 27 R HA 0.034 4.374 4.340 -0.001 0.000 0.195 27 R C 0.985 177.368 176.300 0.138 0.000 1.712 27 R CA -0.406 55.755 56.100 0.102 0.000 1.457 27 R CB -0.042 30.288 30.300 0.049 0.000 1.387 27 R HN 0.896 nan 8.270 nan 0.000 0.785 28 W N 2.754 124.049 121.300 -0.009 0.000 2.465 28 W HA -0.127 4.532 4.660 -0.001 0.000 0.268 28 W C 0.837 177.347 176.519 -0.015 0.000 1.242 28 W CA 0.307 57.643 57.345 -0.014 0.000 1.248 28 W CB 0.222 29.672 29.460 -0.017 0.000 1.118 28 W HN 0.352 nan 8.180 nan 0.000 0.587 29 I N 1.558 122.130 120.570 0.002 0.000 2.090 29 I HA -0.311 3.858 4.170 -0.001 0.000 0.236 29 I C 2.129 178.147 176.117 -0.165 0.000 1.064 29 I CA 1.976 63.230 61.300 -0.076 0.000 1.324 29 I CB -1.305 36.697 38.000 0.003 0.000 1.044 29 I HN 0.044 nan 8.210 nan 0.000 0.399 30 E N -0.069 120.067 120.200 -0.106 0.000 2.204 30 E HA -0.166 4.183 4.350 -0.001 0.000 0.195 30 E C 1.929 178.424 176.600 -0.174 0.000 0.990 30 E CA 1.620 57.958 56.400 -0.104 0.000 0.821 30 E CB -0.319 29.348 29.700 -0.055 0.000 0.750 30 E HN 0.493 nan 8.360 nan 0.000 0.477 31 T N 1.304 115.701 114.554 -0.262 0.000 2.737 31 T HA -0.160 4.190 4.350 -0.001 0.000 0.265 31 T C 1.873 176.251 174.700 -0.537 0.000 1.038 31 T CA 1.006 62.882 62.100 -0.373 0.000 1.144 31 T CB -0.162 68.448 68.868 -0.430 0.000 0.866 31 T HN 0.168 nan 8.240 nan 0.000 0.434 32 Q N 0.573 119.921 119.800 -0.752 0.000 2.181 32 Q HA -0.163 4.176 4.340 -0.001 0.000 0.205 32 Q C 1.805 177.588 176.000 -0.362 0.000 0.980 32 Q CA 1.514 56.929 55.803 -0.646 0.000 0.862 32 Q CB -0.193 28.169 28.738 -0.628 0.000 0.905 32 Q HN 0.523 nan 8.270 nan 0.000 0.429 33 D N -0.651 119.600 120.400 -0.248 0.000 2.234 33 D HA -0.082 4.558 4.640 -0.001 0.000 0.205 33 D C 1.749 177.997 176.300 -0.087 0.000 0.962 33 D CA 0.486 54.429 54.000 -0.095 0.000 0.855 33 D CB 0.175 40.962 40.800 -0.022 0.000 0.951 33 D HN -0.007 nan 8.370 nan 0.000 0.500 34 V N 0.813 120.651 119.914 -0.126 0.000 2.626 34 V HA -0.160 3.959 4.120 -0.001 0.000 0.252 34 V C 2.170 178.208 176.094 -0.093 0.000 1.067 34 V CA 1.055 63.298 62.300 -0.095 0.000 1.081 34 V CB -0.270 31.495 31.823 -0.096 0.000 0.686 34 V HN 0.279 nan 8.190 nan 0.000 0.468 35 I N -0.860 119.627 120.570 -0.138 0.000 2.333 35 I HA -0.137 4.033 4.170 -0.001 0.000 0.246 35 I C 2.173 178.230 176.117 -0.100 0.000 1.106 35 I CA 1.381 62.610 61.300 -0.120 0.000 1.411 35 I CB -0.142 37.762 38.000 -0.160 0.000 1.082 35 I HN 0.255 nan 8.210 nan 0.000 0.420 36 L N 0.224 121.363 121.223 -0.140 0.000 2.127 36 L HA -0.006 4.334 4.340 -0.001 0.000 0.203 36 L C 2.610 179.487 176.870 0.011 0.000 1.080 36 L CA 1.074 55.835 54.840 -0.132 0.000 0.768 36 L CB -0.424 41.355 42.059 -0.467 0.000 0.924 36 L HN 0.182 nan 8.230 nan 0.000 0.444 37 A N -0.632 122.198 122.820 0.016 0.000 1.909 37 A HA -0.082 4.237 4.320 -0.001 0.000 0.209 37 A C 2.155 179.714 177.584 -0.042 0.000 1.247 37 A CA 0.574 52.550 52.037 -0.100 0.000 0.660 37 A CB -0.191 18.715 19.000 -0.157 0.000 0.910 37 A HN 0.281 nan 8.150 nan 0.000 0.465 38 E N 0.212 120.396 120.200 -0.027 0.000 2.028 38 E HA -0.093 4.257 4.350 -0.001 0.000 0.190 38 E C 1.245 177.851 176.600 0.009 0.000 0.984 38 E CA 1.074 57.469 56.400 -0.008 0.000 0.800 38 E CB -0.012 29.676 29.700 -0.021 0.000 0.758 38 E HN 0.485 nan 8.360 nan 0.000 0.448 39 K N 0.193 120.593 120.400 -0.001 0.000 2.387 39 K HA 0.179 4.498 4.320 -0.001 0.000 0.198 39 K C -0.266 176.347 176.600 0.022 0.000 1.022 39 K CA -0.214 56.078 56.287 0.008 0.000 1.128 39 K CB 0.395 32.892 32.500 -0.005 0.000 0.853 39 K HN 0.043 nan 8.250 nan 0.000 0.523 40 R N 2.320 122.840 120.500 0.034 0.000 3.034 40 R HA -0.135 4.204 4.340 -0.001 0.000 0.237 40 R C -0.305 176.023 176.300 0.048 0.000 0.861 40 R CA 0.882 57.022 56.100 0.066 0.000 0.588 40 R CB -2.018 28.355 30.300 0.121 0.000 1.035 40 R HN 0.357 nan 8.270 nan 0.000 0.488 41 T N -2.620 111.945 114.554 0.018 0.000 2.870 41 T HA 0.147 4.497 4.350 -0.001 0.000 0.300 41 T C 1.080 175.793 174.700 0.020 0.000 0.989 41 T CA -0.618 61.491 62.100 0.014 0.000 1.139 41 T CB 1.376 70.242 68.868 -0.003 0.000 0.920 41 T HN 0.386 nan 8.240 nan 0.000 0.537 42 E N 1.656 121.874 120.200 0.029 0.000 2.478 42 E HA 0.075 4.425 4.350 -0.001 0.000 0.194 42 E C 0.945 177.557 176.600 0.021 0.000 1.045 42 E CA 0.081 56.499 56.400 0.031 0.000 0.868 42 E CB 0.351 30.073 29.700 0.038 0.000 0.885 42 E HN 0.524 nan 8.360 nan 0.000 0.505 43 R N 1.620 122.130 120.500 0.016 0.000 2.607 43 R HA 0.279 4.619 4.340 -0.001 0.000 0.278 43 R C -1.090 175.214 176.300 0.008 0.000 1.637 43 R CA -0.238 55.868 56.100 0.011 0.000 1.325 43 R CB 0.493 30.803 30.300 0.016 0.000 1.211 43 R HN 0.015 nan 8.270 nan 0.000 0.565 44 I N 4.117 124.689 120.570 0.002 0.000 2.416 44 I HA 0.187 4.356 4.170 -0.001 0.000 0.288 44 I C 0.005 176.134 176.117 0.021 0.000 1.051 44 I CA -0.507 60.798 61.300 0.009 0.000 1.375 44 I CB 1.451 39.452 38.000 0.002 0.000 1.407 44 I HN 0.128 nan 8.210 nan 0.000 0.516 45 V N 6.307 126.243 119.914 0.036 0.000 2.555 45 V HA 0.331 4.450 4.120 -0.001 0.000 0.302 45 V C -0.042 176.097 176.094 0.075 0.000 1.038 45 V CA -0.684 61.644 62.300 0.047 0.000 0.887 45 V CB 2.025 33.874 31.823 0.045 0.000 0.991 45 V HN 0.725 nan 8.190 nan 0.000 0.434 46 E N 3.795 124.044 120.200 0.082 0.000 2.202 46 E HA 0.652 5.001 4.350 -0.001 0.000 0.272 46 E C -1.487 175.186 176.600 0.121 0.000 0.951 46 E CA -0.673 55.781 56.400 0.090 0.000 0.813 46 E CB 1.787 31.529 29.700 0.070 0.000 1.151 46 E HN 0.600 nan 8.360 nan 0.000 0.398 47 I N 3.454 124.077 120.570 0.089 0.000 2.468 47 I HA 0.555 4.724 4.170 -0.001 0.000 0.284 47 I C 0.086 176.194 176.117 -0.015 0.000 1.038 47 I CA -0.417 60.928 61.300 0.076 0.000 1.083 47 I CB 1.506 39.543 38.000 0.062 0.000 1.223 47 I HN 0.729 nan 8.210 nan 0.000 0.443 48 G N 6.550 115.329 108.800 -0.035 0.000 2.325 48 G HA2 0.309 4.268 3.960 -0.001 0.000 0.295 48 G HA3 0.309 4.268 3.960 -0.001 0.000 0.295 48 G C -2.899 171.969 174.900 -0.053 0.000 1.274 48 G CA -0.302 44.757 45.100 -0.069 0.000 0.857 48 G HN 0.285 nan 8.290 nan 0.000 0.499 49 P HA 0.301 nan 4.420 nan 0.000 0.245 49 P C 0.314 177.607 177.300 -0.012 0.000 1.203 49 P CA 0.463 63.544 63.100 -0.032 0.000 0.792 49 P CB 0.763 32.438 31.700 -0.043 0.000 0.997 50 S N -0.093 115.598 115.700 -0.014 0.000 2.618 50 S HA 0.243 4.713 4.470 -0.001 0.000 0.277 50 S C -0.879 173.717 174.600 -0.006 0.000 1.138 50 S CA -0.650 57.544 58.200 -0.010 0.000 0.844 50 S CB 1.294 64.480 63.200 -0.024 0.000 1.127 50 S HN 0.101 nan 8.310 nan 0.000 0.474 51 D N 0.852 121.250 120.400 -0.003 0.000 3.038 51 D HA 0.043 4.682 4.640 -0.001 0.000 0.243 51 D C 1.288 177.582 176.300 -0.010 0.000 1.245 51 D CA -0.150 53.851 54.000 0.001 0.000 0.871 51 D CB -0.529 40.274 40.800 0.006 0.000 1.089 51 D HN 0.543 nan 8.370 nan 0.000 0.464 52 T N -1.717 112.819 114.554 -0.029 0.000 2.770 52 T HA -0.099 4.251 4.350 -0.001 0.000 0.263 52 T C 2.062 176.731 174.700 -0.051 0.000 1.039 52 T CA 0.347 62.417 62.100 -0.049 0.000 1.142 52 T CB -0.422 68.398 68.868 -0.080 0.000 0.868 52 T HN 0.237 nan 8.240 nan 0.000 0.435 53 L N 0.992 122.180 121.223 -0.059 0.000 2.465 53 L HA 0.204 4.543 4.340 -0.001 0.000 0.224 53 L C 2.862 179.778 176.870 0.078 0.000 1.145 53 L CA 0.698 55.533 54.840 -0.008 0.000 0.834 53 L CB -0.640 41.407 42.059 -0.019 0.000 0.944 53 L HN 0.504 nan 8.230 nan 0.000 0.451 54 G N -0.346 108.478 108.800 0.040 0.000 2.404 54 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.213 54 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.213 54 G C 1.507 176.426 174.900 0.032 0.000 1.189 54 G CA 0.579 45.703 45.100 0.040 0.000 0.796 54 G HN 0.425 nan 8.290 nan 0.000 0.532 55 G N 0.102 108.914 108.800 0.021 0.000 2.848 55 G HA2 0.053 4.013 3.960 -0.001 0.000 0.208 55 G HA3 0.053 4.013 3.960 -0.001 0.000 0.208 55 G C 1.543 176.460 174.900 0.028 0.000 1.152 55 G CA 0.700 45.811 45.100 0.018 0.000 0.789 55 G HN 0.415 nan 8.290 nan 0.000 0.531 56 M N 0.321 119.950 119.600 0.047 0.000 2.325 56 M HA 0.329 4.808 4.480 -0.001 0.000 0.265 56 M C 2.573 178.932 176.300 0.098 0.000 1.094 56 M CA 1.306 56.656 55.300 0.083 0.000 1.161 56 M CB 0.238 32.905 32.600 0.111 0.000 1.358 56 M HN 0.179 nan 8.290 nan 0.000 0.446 57 A N -0.059 122.817 122.820 0.093 0.000 2.119 57 A HA -0.009 4.310 4.320 -0.001 0.000 0.216 57 A C 1.987 179.554 177.584 -0.028 0.000 1.152 57 A CA 0.821 52.873 52.037 0.025 0.000 0.708 57 A CB -0.436 18.582 19.000 0.031 0.000 0.805 57 A HN 0.503 nan 8.150 nan 0.000 0.460 58 R N -0.578 119.921 120.500 -0.001 0.000 2.090 58 R HA 0.027 4.367 4.340 -0.001 0.000 0.228 58 R C 2.286 178.585 176.300 -0.002 0.000 1.110 58 R CA 1.195 57.291 56.100 -0.006 0.000 0.973 58 R CB -0.184 30.120 30.300 0.006 0.000 0.869 58 R HN 0.404 nan 8.270 nan 0.000 0.440 59 R N -0.147 120.360 120.500 0.010 0.000 2.115 59 R HA -0.057 4.283 4.340 -0.001 0.000 0.226 59 R C 1.911 178.222 176.300 0.018 0.000 1.100 59 R CA 1.710 57.822 56.100 0.020 0.000 0.980 59 R CB -0.112 30.206 30.300 0.029 0.000 0.875 59 R HN 0.344 nan 8.270 nan 0.000 0.445 60 T N -1.124 113.424 114.554 -0.010 0.000 3.085 60 T HA 0.071 4.420 4.350 -0.001 0.000 0.263 60 T C 1.765 176.429 174.700 -0.059 0.000 1.127 60 T CA 0.426 62.506 62.100 -0.033 0.000 1.103 60 T CB 0.038 68.842 68.868 -0.108 0.000 0.921 60 T HN 0.122 nan 8.240 nan 0.000 0.510 61 L N -0.108 121.078 121.223 -0.062 0.000 2.446 61 L HA 0.137 4.476 4.340 -0.001 0.000 0.219 61 L C 2.680 179.600 176.870 0.083 0.000 1.116 61 L CA 0.756 55.593 54.840 -0.006 0.000 0.844 61 L CB -0.245 41.795 42.059 -0.031 0.000 0.970 61 L HN 0.327 nan 8.230 nan 0.000 0.457 62 Q N -0.825 119.012 119.800 0.062 0.000 2.226 62 Q HA -0.069 4.271 4.340 -0.001 0.000 0.199 62 Q C 2.431 178.475 176.000 0.073 0.000 0.945 62 Q CA 1.332 57.173 55.803 0.063 0.000 0.861 62 Q CB 0.123 28.886 28.738 0.041 0.000 0.953 62 Q HN 0.440 nan 8.270 nan 0.000 0.490 63 S N 0.597 116.343 115.700 0.076 0.000 2.377 63 S HA -0.025 4.444 4.470 -0.001 0.000 0.223 63 S C 1.820 176.474 174.600 0.090 0.000 1.030 63 S CA 0.798 59.040 58.200 0.071 0.000 0.970 63 S CB 0.062 63.298 63.200 0.060 0.000 0.830 63 S HN 0.120 nan 8.310 nan 0.000 0.473 64 K N -0.768 119.725 120.400 0.154 0.000 2.273 64 K HA 0.240 4.560 4.320 -0.001 0.000 0.206 64 K C 1.058 177.737 176.600 0.131 0.000 1.072 64 K CA 0.409 56.785 56.287 0.148 0.000 0.953 64 K CB -0.067 32.563 32.500 0.216 0.000 1.043 64 K HN 0.322 nan 8.250 nan 0.000 0.477 65 Y N 1.848 122.152 120.300 0.007 0.000 2.462 65 Y HA 0.008 4.557 4.550 -0.001 0.000 0.293 65 Y C 1.808 177.753 175.900 0.076 0.000 1.195 65 Y CA 0.127 58.247 58.100 0.034 0.000 1.276 65 Y CB -0.198 38.257 38.460 -0.008 0.000 1.082 65 Y HN 0.146 nan 8.280 nan 0.000 0.514 66 E N 1.313 121.613 120.200 0.167 0.000 2.033 66 E HA -0.246 4.103 4.350 -0.001 0.000 0.199 66 E C 2.283 178.943 176.600 0.100 0.000 1.011 66 E CA 1.968 58.436 56.400 0.114 0.000 0.815 66 E CB -0.286 29.459 29.700 0.076 0.000 0.755 66 E HN 0.321 nan 8.360 nan 0.000 0.451 67 A N -0.850 122.018 122.820 0.079 0.000 1.898 67 A HA -0.103 4.216 4.320 -0.001 0.000 0.214 67 A C 2.313 179.934 177.584 0.062 0.000 1.183 67 A CA 1.343 53.410 52.037 0.051 0.000 0.622 67 A CB -1.048 17.967 19.000 0.026 0.000 0.824 67 A HN 0.499 nan 8.150 nan 0.000 0.444 68 Y N 1.128 121.405 120.300 -0.040 0.000 2.128 68 Y HA -0.286 4.264 4.550 -0.001 0.000 0.284 68 Y C 1.895 177.801 175.900 0.010 0.000 1.154 68 Y CA 2.253 60.323 58.100 -0.051 0.000 1.149 68 Y CB -0.110 38.258 38.460 -0.153 0.000 0.976 68 Y HN 0.369 nan 8.280 nan 0.000 0.505 69 D N -0.136 120.441 120.400 0.296 0.000 2.117 69 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 69 D C 2.244 178.590 176.300 0.076 0.000 0.982 69 D CA 1.465 55.592 54.000 0.213 0.000 0.828 69 D CB -0.579 40.346 40.800 0.209 0.000 0.967 69 D HN 0.455 nan 8.370 nan 0.000 0.464 70 A N 0.578 123.432 122.820 0.056 0.000 1.972 70 A HA 0.030 4.349 4.320 -0.001 0.000 0.219 70 A C 2.179 179.753 177.584 -0.017 0.000 1.169 70 A CA 2.000 54.049 52.037 0.021 0.000 0.635 70 A CB -0.575 18.439 19.000 0.023 0.000 0.810 70 A HN 0.237 nan 8.150 nan 0.000 0.446 71 A N -1.032 121.756 122.820 -0.054 0.000 1.843 71 A HA 0.010 4.330 4.320 -0.001 0.000 0.213 71 A C 2.203 179.710 177.584 -0.127 0.000 1.202 71 A CA 1.922 53.900 52.037 -0.098 0.000 0.607 71 A CB -1.240 17.676 19.000 -0.140 0.000 0.847 71 A HN 0.378 nan 8.150 nan 0.000 0.445 72 T N -0.125 114.303 114.554 -0.210 0.000 3.025 72 T HA -0.007 4.343 4.350 -0.001 0.000 0.270 72 T C 0.985 175.639 174.700 -0.077 0.000 1.126 72 T CA 1.429 63.406 62.100 -0.205 0.000 1.105 72 T CB -0.288 68.374 68.868 -0.344 0.000 0.884 72 T HN 0.896 nan 8.240 nan 0.000 0.522 73 S N -0.193 115.484 115.700 -0.039 0.000 3.482 73 S HA -0.160 4.309 4.470 -0.001 0.000 0.294 73 S C 0.205 174.818 174.600 0.022 0.000 1.244 73 S CA 0.121 58.318 58.200 -0.005 0.000 0.911 73 S CB -2.114 61.079 63.200 -0.011 0.000 1.070 73 S HN 0.361 nan 8.310 nan 0.000 0.614 74 V N 2.943 122.886 119.914 0.048 0.000 2.446 74 V HA 0.186 4.306 4.120 -0.001 0.000 0.276 74 V C 0.892 177.029 176.094 0.072 0.000 1.030 74 V CA 0.384 62.734 62.300 0.084 0.000 1.033 74 V CB 0.906 32.828 31.823 0.164 0.000 0.993 74 V HN 0.537 nan 8.190 nan 0.000 0.477 75 Q N 5.724 125.557 119.800 0.055 0.000 2.279 75 Q HA 0.531 4.870 4.340 -0.001 0.000 0.256 75 Q C -0.378 175.649 176.000 0.045 0.000 0.937 75 Q CA -0.242 55.588 55.803 0.045 0.000 0.933 75 Q CB 1.427 30.186 28.738 0.036 0.000 1.189 75 Q HN 0.611 nan 8.270 nan 0.000 0.417 76 R N 1.976 122.498 120.500 0.038 0.000 2.561 76 R HA 0.316 4.656 4.340 -0.001 0.000 0.297 76 R C -1.000 175.308 176.300 0.015 0.000 0.969 76 R CA -0.584 55.532 56.100 0.026 0.000 0.879 76 R CB 2.070 32.384 30.300 0.023 0.000 1.178 76 R HN 0.540 nan 8.270 nan 0.000 0.445 77 Q N 4.127 123.932 119.800 0.008 0.000 2.337 77 Q HA 0.341 4.680 4.340 -0.001 0.000 0.264 77 Q C -1.257 174.741 176.000 -0.004 0.000 1.007 77 Q CA -0.405 55.399 55.803 0.001 0.000 0.727 77 Q CB 1.300 30.038 28.738 0.001 0.000 1.256 77 Q HN 0.614 nan 8.270 nan 0.000 0.467 78 I N 5.553 126.120 120.570 -0.005 0.000 2.297 78 I HA 0.281 4.450 4.170 -0.001 0.000 0.291 78 I C -0.613 175.502 176.117 -0.004 0.000 1.033 78 I CA -0.438 60.861 61.300 -0.002 0.000 1.253 78 I CB 0.767 38.768 38.000 0.001 0.000 1.396 78 I HN 0.467 nan 8.210 nan 0.000 0.476 79 L N 6.845 128.066 121.223 -0.003 0.000 2.319 79 L HA 0.411 4.750 4.340 -0.001 0.000 0.281 79 L C -0.116 176.760 176.870 0.009 0.000 1.005 79 L CA -0.538 54.294 54.840 -0.013 0.000 0.828 79 L CB 1.783 43.819 42.059 -0.038 0.000 1.227 79 L HN 0.640 nan 8.230 nan 0.000 0.415 80 C N 2.064 121.370 119.300 0.010 0.000 2.520 80 C HA 0.157 4.616 4.460 -0.001 0.000 0.376 80 C C 1.681 176.700 174.990 0.048 0.000 1.268 80 C CA -0.260 58.783 59.018 0.041 0.000 2.414 80 C CB 0.641 28.401 27.740 0.032 0.000 2.521 80 C HN 0.862 nan 8.230 nan 0.000 0.618 81 Y N 1.998 122.289 120.300 -0.015 0.000 2.133 81 Y HA -0.076 4.473 4.550 -0.001 0.000 0.287 81 Y C 2.406 178.277 175.900 -0.048 0.000 1.134 81 Y CA 2.652 60.740 58.100 -0.021 0.000 1.133 81 Y CB -0.478 37.976 38.460 -0.009 0.000 0.987 81 Y HN 0.862 nan 8.280 nan 0.000 0.502 82 C N 0.949 120.367 119.300 0.196 0.000 2.491 82 C HA -0.169 4.290 4.460 -0.001 0.000 0.283 82 C C 2.516 177.501 174.990 -0.008 0.000 1.238 82 C CA 1.313 60.390 59.018 0.099 0.000 1.735 82 C CB -1.283 26.502 27.740 0.076 0.000 2.080 82 C HN 0.489 nan 8.230 nan 0.000 0.463 83 K N 1.179 121.575 120.400 -0.008 0.000 1.978 83 K HA -0.127 4.193 4.320 -0.001 0.000 0.214 83 K C 0.661 177.226 176.600 -0.059 0.000 1.049 83 K CA 1.513 57.783 56.287 -0.028 0.000 0.939 83 K CB -0.496 31.995 32.500 -0.016 0.000 0.721 83 K HN 0.570 nan 8.250 nan 0.000 0.441 84 D N 0.951 121.310 120.400 -0.068 0.000 3.085 84 D HA 0.122 4.762 4.640 -0.001 0.000 0.243 84 D C 0.815 177.021 176.300 -0.156 0.000 1.232 84 D CA 0.049 53.995 54.000 -0.090 0.000 0.913 84 D CB 0.583 41.342 40.800 -0.068 0.000 1.108 84 D HN 0.209 nan 8.370 nan 0.000 0.468 85 A N 1.295 123.999 122.820 -0.193 0.000 1.865 85 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 85 A C 2.101 179.490 177.584 -0.324 0.000 1.191 85 A CA 1.161 53.000 52.037 -0.330 0.000 0.623 85 A CB -0.073 18.749 19.000 -0.297 0.000 0.826 85 A HN 0.163 nan 8.150 nan 0.000 0.444 86 K N -0.342 119.935 120.400 -0.205 0.000 2.228 86 K HA -0.066 4.253 4.320 -0.001 0.000 0.202 86 K C 1.693 178.233 176.600 -0.101 0.000 1.051 86 K CA 1.194 57.395 56.287 -0.143 0.000 0.960 86 K CB -0.095 32.353 32.500 -0.087 0.000 0.743 86 K HN 0.645 nan 8.250 nan 0.000 0.458 87 E N 0.777 120.901 120.200 -0.126 0.000 2.274 87 E HA -0.089 4.261 4.350 -0.001 0.000 0.194 87 E C 1.797 178.231 176.600 -0.278 0.000 0.996 87 E CA 0.470 56.773 56.400 -0.162 0.000 0.840 87 E CB 0.064 29.688 29.700 -0.126 0.000 0.772 87 E HN 0.195 nan 8.360 nan 0.000 0.491 88 I N 0.298 120.757 120.570 -0.186 0.000 2.202 88 I HA -0.215 3.955 4.170 -0.001 0.000 0.242 88 I C 1.579 177.656 176.117 -0.066 0.000 1.091 88 I CA 1.414 62.634 61.300 -0.133 0.000 1.368 88 I CB -0.782 37.208 38.000 -0.016 0.000 1.058 88 I HN 0.131 nan 8.210 nan 0.000 0.410 89 Y N -0.051 120.117 120.300 -0.220 0.000 2.462 89 Y HA 0.059 4.609 4.550 -0.001 0.000 0.293 89 Y C 0.035 175.960 175.900 0.041 0.000 1.195 89 Y CA -1.174 56.880 58.100 -0.077 0.000 1.276 89 Y CB -1.259 37.165 38.460 -0.060 0.000 1.082 89 Y HN 0.096 nan 8.280 nan 0.000 0.514 90 Y N -0.360 120.000 120.300 0.100 0.000 3.108 90 Y HA -0.292 4.257 4.550 -0.001 0.000 0.208 90 Y C -0.025 175.905 175.900 0.050 0.000 1.245 90 Y CA 0.444 58.574 58.100 0.050 0.000 1.171 90 Y CB -1.501 36.974 38.460 0.024 0.000 1.331 90 Y HN 0.163 nan 8.280 nan 0.000 0.534 91 D N 0.430 120.919 120.400 0.149 0.000 2.441 91 D HA 0.632 5.272 4.640 -0.001 0.000 0.231 91 D C -0.684 175.652 176.300 0.060 0.000 1.073 91 D CA -0.258 53.802 54.000 0.100 0.000 0.850 91 D CB 0.719 41.566 40.800 0.078 0.000 1.062 91 D HN -0.016 nan 8.370 nan 0.000 0.524 92 V N 2.307 122.258 119.914 0.061 0.000 3.040 92 V HA 0.545 4.664 4.120 -0.001 0.000 0.312 92 V C 0.025 176.138 176.094 0.031 0.000 1.115 92 V CA -1.068 61.255 62.300 0.040 0.000 0.998 92 V CB 2.037 33.887 31.823 0.046 0.000 1.042 92 V HN 0.360 nan 8.190 nan 0.000 0.433 93 E N 1.503 121.716 120.200 0.021 0.000 2.248 93 E HA 0.652 5.002 4.350 -0.001 0.000 0.272 93 E C -2.118 174.492 176.600 0.016 0.000 1.008 93 E CA -1.177 55.233 56.400 0.017 0.000 0.856 93 E CB 0.577 30.283 29.700 0.011 0.000 1.120 93 E HN 0.636 nan 8.360 nan 0.000 0.397 326 D N 2.802 123.204 120.400 0.003 0.000 2.352 326 D HA 0.167 4.806 4.640 -0.001 0.000 0.232 326 D C 1.549 177.850 176.300 0.003 0.000 1.055 326 D CA 0.942 54.945 54.000 0.006 0.000 0.891 326 D CB 0.543 41.348 40.800 0.007 0.000 0.897 326 D HN 0.397 nan 8.370 nan 0.000 0.529 327 A N 0.464 123.283 122.820 -0.001 0.000 1.898 327 A HA -0.032 4.287 4.320 -0.001 0.000 0.214 327 A C 2.069 179.649 177.584 -0.007 0.000 1.183 327 A CA 0.398 52.432 52.037 -0.004 0.000 0.622 327 A CB -0.441 18.556 19.000 -0.005 0.000 0.824 327 A HN 0.193 nan 8.150 nan 0.000 0.444 328 L N 0.501 121.721 121.223 -0.005 0.000 2.622 328 L HA -0.034 4.305 4.340 -0.001 0.000 0.233 328 L C 1.691 178.558 176.870 -0.004 0.000 1.156 328 L CA 1.338 56.174 54.840 -0.006 0.000 0.866 328 L CB -0.082 41.975 42.059 -0.004 0.000 0.980 328 L HN 0.678 nan 8.230 nan 0.000 0.448 329 T N -7.895 106.659 114.554 -0.000 0.000 3.046 329 T HA 0.071 4.420 4.350 -0.001 0.000 0.270 329 T C 1.475 176.179 174.700 0.007 0.000 0.920 329 T CA -0.441 61.664 62.100 0.008 0.000 0.874 329 T CB 0.088 68.970 68.868 0.024 0.000 1.214 329 T HN -0.035 nan 8.240 nan 0.000 0.536 330 K N 1.245 121.646 120.400 0.001 0.000 2.362 330 K HA -0.027 4.292 4.320 -0.001 0.000 0.200 330 K C 1.600 178.190 176.600 -0.017 0.000 1.046 330 K CA 1.029 57.316 56.287 -0.001 0.000 0.952 330 K CB -0.041 32.457 32.500 -0.002 0.000 0.753 330 K HN 0.205 nan 8.250 nan 0.000 0.466 331 D N 0.737 121.119 120.400 -0.030 0.000 2.097 331 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 331 D C 1.921 178.163 176.300 -0.098 0.000 0.984 331 D CA 1.033 55.000 54.000 -0.056 0.000 0.826 331 D CB 0.199 40.967 40.800 -0.054 0.000 0.973 331 D HN 0.084 nan 8.370 nan 0.000 0.460 332 Q N 0.539 120.282 119.800 -0.094 0.000 1.967 332 Q HA -0.207 4.133 4.340 -0.001 0.000 0.210 332 Q C 2.406 178.324 176.000 -0.138 0.000 1.005 332 Q CA 1.361 57.066 55.803 -0.165 0.000 0.862 332 Q CB -0.519 28.220 28.738 0.001 0.000 0.939 332 Q HN 0.287 nan 8.270 nan 0.000 0.417 333 R N 0.495 121.015 120.500 0.033 0.000 2.154 333 R HA -0.244 4.096 4.340 -0.001 0.000 0.236 333 R C 2.387 178.710 176.300 0.037 0.000 1.121 333 R CA 2.002 58.158 56.100 0.094 0.000 0.915 333 R CB -0.956 29.383 30.300 0.064 0.000 0.856 333 R HN 0.418 nan 8.270 nan 0.000 0.431 334 A N 1.111 123.925 122.820 -0.010 0.000 1.915 334 A HA -0.255 4.065 4.320 -0.001 0.000 0.220 334 A C 2.079 179.634 177.584 -0.048 0.000 1.198 334 A CA 1.952 53.976 52.037 -0.022 0.000 0.647 334 A CB -0.808 18.172 19.000 -0.034 0.000 0.825 334 A HN 0.340 nan 8.150 nan 0.000 0.456 335 L N -1.057 120.086 121.223 -0.134 0.000 1.955 335 L HA -0.104 4.235 4.340 -0.001 0.000 0.213 335 L C 2.281 179.068 176.870 -0.139 0.000 1.072 335 L CA 2.242 56.952 54.840 -0.216 0.000 0.755 335 L CB -1.361 40.438 42.059 -0.434 0.000 0.888 335 L HN 0.407 nan 8.230 nan 0.000 0.432 336 F N 0.134 120.079 119.950 -0.007 0.000 2.161 336 F HA -0.236 4.291 4.527 -0.001 0.000 0.300 336 F C 2.624 178.420 175.800 -0.006 0.000 1.089 336 F CA 1.535 59.531 58.000 -0.007 0.000 1.282 336 F CB -0.372 38.623 39.000 -0.007 0.000 1.010 336 F HN 0.187 nan 8.300 nan 0.000 0.485 337 K N 0.609 121.109 120.400 0.167 0.000 2.063 337 K HA -0.248 4.072 4.320 -0.001 0.000 0.208 337 K C 1.953 178.592 176.600 0.066 0.000 1.048 337 K CA 1.728 58.072 56.287 0.095 0.000 0.928 337 K CB -0.119 32.416 32.500 0.059 0.000 0.713 337 K HN 0.330 nan 8.250 nan 0.000 0.442 338 Q N 0.065 119.892 119.800 0.046 0.000 2.079 338 Q HA -0.214 4.126 4.340 -0.001 0.000 0.200 338 Q C 2.219 178.246 176.000 0.045 0.000 0.974 338 Q CA 1.645 57.467 55.803 0.030 0.000 0.840 338 Q CB -0.087 28.655 28.738 0.006 0.000 0.898 338 Q HN 0.410 nan 8.270 nan 0.000 0.430 339 Q N 0.737 120.578 119.800 0.070 0.000 2.135 339 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 339 Q C 2.003 178.049 176.000 0.076 0.000 0.981 339 Q CA 1.004 56.858 55.803 0.085 0.000 0.856 339 Q CB -0.082 28.756 28.738 0.167 0.000 0.902 339 Q HN 0.435 nan 8.270 nan 0.000 0.425 340 L N 0.285 121.558 121.223 0.082 0.000 1.994 340 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 340 L C 2.152 179.051 176.870 0.049 0.000 1.071 340 L CA 1.402 56.277 54.840 0.059 0.000 0.745 340 L CB -0.263 41.828 42.059 0.054 0.000 0.892 340 L HN 0.266 nan 8.230 nan 0.000 0.431 341 E N 0.230 120.457 120.200 0.045 0.000 2.130 341 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 341 E C 2.161 178.789 176.600 0.046 0.000 0.998 341 E CA 1.646 58.069 56.400 0.039 0.000 0.806 341 E CB -0.190 29.529 29.700 0.031 0.000 0.738 341 E HN 0.632 nan 8.360 nan 0.000 0.459 342 I N 0.607 121.205 120.570 0.047 0.000 2.286 342 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 342 I C 2.524 178.691 176.117 0.083 0.000 1.104 342 I CA 0.760 62.091 61.300 0.053 0.000 1.397 342 I CB -0.474 37.545 38.000 0.031 0.000 1.072 342 I HN 0.037 nan 8.210 nan 0.000 0.417 343 I N 1.573 122.187 120.570 0.073 0.000 2.127 343 I HA -0.300 3.870 4.170 -0.001 0.000 0.241 343 I C 3.010 179.212 176.117 0.142 0.000 1.075 343 I CA 1.511 62.876 61.300 0.107 0.000 1.334 343 I CB -0.718 37.325 38.000 0.070 0.000 1.040 343 I HN 0.175 nan 8.210 nan 0.000 0.405 344 A N 1.024 123.896 122.820 0.087 0.000 1.884 344 A HA -0.311 4.008 4.320 -0.001 0.000 0.219 344 A C 2.465 180.091 177.584 0.070 0.000 1.197 344 A CA 2.361 54.437 52.037 0.065 0.000 0.637 344 A CB -0.897 18.129 19.000 0.043 0.000 0.827 344 A HN 0.378 nan 8.150 nan 0.000 0.450 345 R N -2.281 118.266 120.500 0.078 0.000 2.127 345 R HA -0.191 4.149 4.340 -0.001 0.000 0.238 345 R C 2.036 178.392 176.300 0.093 0.000 1.134 345 R CA 1.864 58.005 56.100 0.069 0.000 0.975 345 R CB -0.385 29.955 30.300 0.068 0.000 0.865 345 R HN 0.714 nan 8.270 nan 0.000 0.447 346 Y N 0.323 120.627 120.300 0.006 0.000 2.337 346 Y HA 0.002 4.552 4.550 -0.001 0.000 0.293 346 Y C 1.394 177.297 175.900 0.004 0.000 1.123 346 Y CA 1.127 59.230 58.100 0.005 0.000 1.201 346 Y CB 0.122 38.585 38.460 0.006 0.000 1.011 346 Y HN -0.003 nan 8.280 nan 0.000 0.545 347 L N 0.659 121.862 121.223 -0.032 0.000 2.591 347 L HA 0.004 4.343 4.340 -0.001 0.000 0.228 347 L C 0.434 177.244 176.870 -0.100 0.000 1.133 347 L CA 0.331 55.105 54.840 -0.111 0.000 0.880 347 L CB -0.294 41.774 42.059 0.015 0.000 1.033 347 L HN -0.001 nan 8.230 nan 0.000 0.450 348 K N 1.312 121.668 120.400 -0.074 0.000 3.148 348 K HA -0.187 4.132 4.320 -0.001 0.000 0.267 348 K C -0.254 176.329 176.600 -0.029 0.000 0.996 348 K CA 1.026 57.282 56.287 -0.052 0.000 0.737 348 K CB -1.708 30.747 32.500 -0.076 0.000 1.308 348 K HN 0.535 nan 8.250 nan 0.000 0.470 349 M N -1.257 118.336 119.600 -0.011 0.000 2.197 349 M HA 0.380 4.860 4.480 -0.001 0.000 0.301 349 M C -0.461 175.842 176.300 0.005 0.000 0.987 349 M CA -0.843 54.455 55.300 -0.003 0.000 0.921 349 M CB 2.016 34.616 32.600 -0.000 0.000 1.569 349 M HN -0.095 nan 8.290 nan 0.000 0.431 350 D N 3.910 124.312 120.400 0.003 0.000 2.346 350 D HA 0.159 4.798 4.640 -0.001 0.000 0.260 350 D C 0.689 176.993 176.300 0.007 0.000 1.252 350 D CA 0.034 54.038 54.000 0.007 0.000 0.895 350 D CB 0.876 41.679 40.800 0.006 0.000 1.097 350 D HN 0.845 nan 8.370 nan 0.000 0.489 351 L N 3.526 124.754 121.223 0.008 0.000 2.017 351 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 351 L C 1.930 178.802 176.870 0.002 0.000 1.073 351 L CA 1.032 55.876 54.840 0.006 0.000 0.745 351 L CB -0.106 41.958 42.059 0.008 0.000 0.894 351 L HN 0.342 nan 8.230 nan 0.000 0.432 352 R N -0.470 120.031 120.500 0.003 0.000 2.391 352 R HA 0.171 4.510 4.340 -0.001 0.000 0.249 352 R C 1.783 178.088 176.300 0.008 0.000 0.957 352 R CA 0.293 56.392 56.100 -0.001 0.000 1.093 352 R CB 0.124 30.423 30.300 -0.002 0.000 1.156 352 R HN 0.205 nan 8.270 nan 0.000 0.526 353 A N 0.342 123.169 122.820 0.011 0.000 2.172 353 A HA 0.003 4.322 4.320 -0.001 0.000 0.216 353 A C 2.025 179.626 177.584 0.028 0.000 1.154 353 A CA 1.316 53.365 52.037 0.019 0.000 0.701 353 A CB -0.358 18.651 19.000 0.015 0.000 0.789 353 A HN 0.442 nan 8.150 nan 0.000 0.465 354 G N 0.322 109.135 108.800 0.023 0.000 2.404 354 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.214 354 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.214 354 G C 0.986 175.920 174.900 0.056 0.000 1.189 354 G CA 1.098 46.218 45.100 0.034 0.000 0.789 354 G HN 0.517 nan 8.290 nan 0.000 0.533 355 D N 0.481 120.890 120.400 0.015 0.000 2.178 355 D HA -0.004 4.636 4.640 -0.001 0.000 0.202 355 D C 2.380 178.738 176.300 0.097 0.000 0.974 355 D CA 0.689 54.690 54.000 0.001 0.000 0.841 355 D CB 0.071 40.829 40.800 -0.069 0.000 0.953 355 D HN 0.247 nan 8.370 nan 0.000 0.478 356 K N 0.560 121.002 120.400 0.070 0.000 2.002 356 K HA -0.060 4.259 4.320 -0.001 0.000 0.209 356 K C 2.180 178.839 176.600 0.098 0.000 1.048 356 K CA 1.264 57.595 56.287 0.073 0.000 0.930 356 K CB -0.217 32.308 32.500 0.043 0.000 0.714 356 K HN 0.120 nan 8.250 nan 0.000 0.438 357 A N 0.930 123.807 122.820 0.095 0.000 2.015 357 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 357 A C 1.935 179.587 177.584 0.113 0.000 1.163 357 A CA 0.887 52.973 52.037 0.081 0.000 0.646 357 A CB -0.597 18.439 19.000 0.061 0.000 0.806 357 A HN 0.388 nan 8.150 nan 0.000 0.448 358 F N 0.385 120.333 119.950 -0.002 0.000 2.051 358 F HA -0.160 4.367 4.527 -0.001 0.000 0.296 358 F C 2.186 177.985 175.800 -0.001 0.000 1.122 358 F CA 2.038 60.037 58.000 -0.002 0.000 1.201 358 F CB -0.403 38.596 39.000 -0.002 0.000 0.978 358 F HN 0.022 nan 8.300 nan 0.000 0.472 359 V N 1.218 121.411 119.914 0.465 0.000 2.250 359 V HA -0.443 3.676 4.120 -0.001 0.000 0.253 359 V C 2.787 178.904 176.094 0.038 0.000 1.065 359 V CA 2.241 64.694 62.300 0.255 0.000 1.039 359 V CB -1.601 30.338 31.823 0.193 0.000 0.647 359 V HN 0.607 nan 8.190 nan 0.000 0.446 360 A N 0.041 122.882 122.820 0.035 0.000 1.873 360 A HA -0.294 4.026 4.320 -0.001 0.000 0.218 360 A C 2.564 180.116 177.584 -0.053 0.000 1.193 360 A CA 2.997 55.032 52.037 -0.004 0.000 0.629 360 A CB -1.059 17.947 19.000 0.009 0.000 0.826 360 A HN 0.745 nan 8.150 nan 0.000 0.447 361 S N -1.016 114.628 115.700 -0.093 0.000 2.447 361 S HA -0.149 4.320 4.470 -0.001 0.000 0.233 361 S C 1.732 176.227 174.600 -0.176 0.000 1.006 361 S CA 1.293 59.418 58.200 -0.124 0.000 0.957 361 S CB -0.417 62.702 63.200 -0.135 0.000 0.773 361 S HN 0.622 nan 8.310 nan 0.000 0.507 362 Q N -0.277 119.372 119.800 -0.252 0.000 2.444 362 Q HA 0.105 4.444 4.340 -0.001 0.000 0.206 362 Q C 1.398 177.331 176.000 -0.112 0.000 0.948 362 Q CA 0.600 56.257 55.803 -0.243 0.000 0.946 362 Q CB 0.118 28.631 28.738 -0.374 0.000 1.027 362 Q HN 0.577 nan 8.270 nan 0.000 0.513 363 E N -0.491 119.664 120.200 -0.076 0.000 2.201 363 E HA 0.033 4.383 4.350 -0.001 0.000 0.193 363 E C 1.726 178.304 176.600 -0.037 0.000 0.957 363 E CA 0.615 56.991 56.400 -0.039 0.000 0.858 363 E CB 0.232 29.920 29.700 -0.020 0.000 0.816 363 E HN 0.015 nan 8.360 nan 0.000 0.475 364 S N 0.503 116.176 115.700 -0.046 0.000 2.402 364 S HA -0.125 4.345 4.470 -0.001 0.000 0.229 364 S C 1.728 176.304 174.600 -0.039 0.000 1.021 364 S CA 0.764 58.942 58.200 -0.037 0.000 0.974 364 S CB -0.148 63.029 63.200 -0.038 0.000 0.800 364 S HN 0.285 nan 8.310 nan 0.000 0.484 365 Q N 0.592 120.357 119.800 -0.059 0.000 2.437 365 Q HA 0.003 4.342 4.340 -0.001 0.000 0.210 365 Q C 1.674 177.652 176.000 -0.037 0.000 0.972 365 Q CA 0.791 56.560 55.803 -0.056 0.000 0.903 365 Q CB 0.069 28.754 28.738 -0.087 0.000 0.967 365 Q HN 0.463 nan 8.270 nan 0.000 0.486 366 K N -0.796 119.585 120.400 -0.032 0.000 2.137 366 K HA 0.038 4.357 4.320 -0.001 0.000 0.202 366 K C 1.928 178.524 176.600 -0.007 0.000 1.052 366 K CA 0.702 56.978 56.287 -0.017 0.000 0.961 366 K CB 0.119 32.610 32.500 -0.015 0.000 0.741 366 K HN 0.084 nan 8.250 nan 0.000 0.452 367 A N 1.523 124.338 122.820 -0.008 0.000 1.969 367 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 367 A C 2.016 179.606 177.584 0.011 0.000 1.169 367 A CA 1.074 53.111 52.037 0.000 0.000 0.635 367 A CB -0.463 18.536 19.000 -0.002 0.000 0.810 367 A HN 0.100 nan 8.150 nan 0.000 0.445 368 L N -1.287 119.940 121.223 0.008 0.000 1.961 368 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 368 L C 2.841 179.731 176.870 0.033 0.000 1.075 368 L CA 1.991 56.843 54.840 0.021 0.000 0.749 368 L CB -1.021 41.041 42.059 0.004 0.000 0.890 368 L HN 0.469 nan 8.230 nan 0.000 0.433 369 Q N 0.282 120.093 119.800 0.018 0.000 2.217 369 Q HA -0.237 4.102 4.340 -0.001 0.000 0.209 369 Q C 1.989 178.008 176.000 0.033 0.000 0.988 369 Q CA 2.175 57.992 55.803 0.023 0.000 0.878 369 Q CB -0.250 28.493 28.738 0.008 0.000 0.909 369 Q HN 0.477 nan 8.270 nan 0.000 0.424 370 A N 0.166 123.001 122.820 0.025 0.000 1.841 370 A HA -0.307 4.012 4.320 -0.001 0.000 0.216 370 A C 2.076 179.682 177.584 0.035 0.000 1.199 370 A CA 1.912 53.962 52.037 0.021 0.000 0.621 370 A CB -1.068 17.938 19.000 0.010 0.000 0.835 370 A HN 0.627 nan 8.150 nan 0.000 0.445 371 Q N -0.651 119.180 119.800 0.051 0.000 2.096 371 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 371 Q C 1.958 178.064 176.000 0.177 0.000 0.982 371 Q CA 1.833 57.684 55.803 0.079 0.000 0.850 371 Q CB -0.324 28.480 28.738 0.110 0.000 0.901 371 Q HN 0.619 nan 8.270 nan 0.000 0.422 372 L N 0.429 121.767 121.223 0.192 0.000 2.275 372 L HA -0.134 4.206 4.340 -0.001 0.000 0.215 372 L C 1.051 178.038 176.870 0.195 0.000 1.119 372 L CA 1.283 56.271 54.840 0.246 0.000 0.790 372 L CB -0.069 42.060 42.059 0.117 0.000 0.919 372 L HN 0.211 nan 8.230 nan 0.000 0.443 373 D N -0.671 119.799 120.400 0.116 0.000 2.317 373 D HA -0.100 4.540 4.640 -0.001 0.000 0.211 373 D C 1.908 178.249 176.300 0.069 0.000 0.966 373 D CA 0.646 54.694 54.000 0.080 0.000 0.876 373 D CB 0.310 41.136 40.800 0.043 0.000 0.927 373 D HN 0.323 nan 8.370 nan 0.000 0.519 374 L N -0.842 120.409 121.223 0.046 0.000 2.007 374 L HA -0.015 4.325 4.340 -0.001 0.000 0.205 374 L C 1.890 178.762 176.870 0.004 0.000 1.073 374 L CA 1.542 56.354 54.840 -0.047 0.000 0.744 374 L CB -0.731 41.216 42.059 -0.186 0.000 0.898 374 L HN 0.001 nan 8.230 nan 0.000 0.435 375 W N 0.024 121.351 121.300 0.045 0.000 2.321 375 W HA -0.243 4.416 4.660 -0.001 0.000 0.306 375 W C 2.636 179.220 176.519 0.108 0.000 1.217 375 W CA 1.228 58.618 57.345 0.075 0.000 1.257 375 W CB -0.451 29.002 29.460 -0.013 0.000 1.145 375 W HN 0.224 nan 8.180 nan 0.000 0.509 376 Q N -0.421 119.556 119.800 0.295 0.000 2.226 376 Q HA -0.129 4.210 4.340 -0.001 0.000 0.204 376 Q C 2.189 178.272 176.000 0.139 0.000 0.975 376 Q CA 1.741 57.655 55.803 0.185 0.000 0.866 376 Q CB -0.703 28.109 28.738 0.123 0.000 0.915 376 Q HN 0.424 nan 8.270 nan 0.000 0.440 377 A N 0.141 123.025 122.820 0.106 0.000 2.063 377 A HA -0.008 4.311 4.320 -0.001 0.000 0.211 377 A C 1.702 179.287 177.584 0.001 0.000 1.177 377 A CA 0.293 52.354 52.037 0.040 0.000 0.759 377 A CB 0.224 19.229 19.000 0.009 0.000 0.857 377 A HN 0.093 nan 8.150 nan 0.000 0.468 378 E N -0.720 119.486 120.200 0.010 0.000 2.478 378 E HA -0.011 4.339 4.350 -0.001 0.000 0.194 378 E C 0.527 176.886 176.600 -0.401 0.000 1.045 378 E CA 0.733 57.032 56.400 -0.169 0.000 0.868 378 E CB 0.059 29.632 29.700 -0.212 0.000 0.885 378 E HN 0.837 nan 8.360 nan 0.000 0.505 379 H N -1.382 117.640 119.070 -0.081 0.000 3.436 379 H HA 0.308 4.864 4.556 -0.001 0.000 0.244 379 H C 0.745 176.042 175.328 -0.052 0.000 1.009 379 H CA 0.477 56.413 56.048 -0.187 0.000 1.129 379 H CB 1.137 30.729 29.762 -0.284 0.000 1.473 379 H HN 0.177 nan 8.280 nan 0.000 0.510 380 G N 1.014 109.896 108.800 0.137 0.000 2.787 380 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.685 380 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.685 380 G C -0.054 174.939 174.900 0.155 0.000 1.437 380 G CA 0.047 45.216 45.100 0.115 0.000 0.872 380 G HN 0.243 nan 8.290 nan 0.000 0.566 381 D N -0.076 120.389 120.400 0.108 0.000 2.084 381 D HA -0.106 4.534 4.640 -0.001 0.000 0.194 381 D C 2.721 179.080 176.300 0.098 0.000 0.990 381 D CA 1.682 55.737 54.000 0.091 0.000 0.826 381 D CB -0.111 40.722 40.800 0.055 0.000 0.971 381 D HN 0.551 nan 8.370 nan 0.000 0.453 382 I N -0.010 120.618 120.570 0.097 0.000 2.264 382 I HA -0.286 3.884 4.170 -0.001 0.000 0.248 382 I C 2.456 178.628 176.117 0.091 0.000 1.111 382 I CA 1.037 62.382 61.300 0.074 0.000 1.382 382 I CB -0.523 37.518 38.000 0.068 0.000 1.060 382 I HN -0.006 nan 8.210 nan 0.000 0.418 383 Y N 2.078 122.399 120.300 0.035 0.000 2.133 383 Y HA -0.226 4.324 4.550 -0.001 0.000 0.287 383 Y C 2.736 178.639 175.900 0.006 0.000 1.134 383 Y CA 1.669 59.794 58.100 0.042 0.000 1.133 383 Y CB -0.329 38.196 38.460 0.108 0.000 0.987 383 Y HN 0.088 nan 8.280 nan 0.000 0.502 384 A N 0.947 123.928 122.820 0.268 0.000 1.869 384 A HA -0.321 3.999 4.320 -0.001 0.000 0.218 384 A C 2.425 179.988 177.584 -0.034 0.000 1.203 384 A CA 2.755 54.862 52.037 0.116 0.000 0.638 384 A CB -1.769 17.291 19.000 0.099 0.000 0.831 384 A HN 0.686 nan 8.150 nan 0.000 0.450 385 A N -0.950 121.855 122.820 -0.025 0.000 1.908 385 A HA 0.092 4.412 4.320 -0.001 0.000 0.218 385 A C 2.322 179.838 177.584 -0.113 0.000 1.181 385 A CA 1.980 53.981 52.037 -0.060 0.000 0.627 385 A CB -1.337 17.642 19.000 -0.034 0.000 0.818 385 A HN 0.995 nan 8.150 nan 0.000 0.445 386 G N -0.308 108.402 108.800 -0.151 0.000 2.848 386 G HA2 0.157 4.116 3.960 -0.001 0.000 0.208 386 G HA3 0.157 4.116 3.960 -0.001 0.000 0.208 386 G C 1.174 175.906 174.900 -0.281 0.000 1.152 386 G CA 0.823 45.803 45.100 -0.199 0.000 0.789 386 G HN 0.845 nan 8.290 nan 0.000 0.531 387 I N -2.955 117.431 120.570 -0.307 0.000 4.139 387 I HA 0.371 4.541 4.170 -0.001 0.000 0.335 387 I C -0.140 175.841 176.117 -0.226 0.000 1.327 387 I CA -0.278 60.835 61.300 -0.311 0.000 1.112 387 I CB 0.271 38.047 38.000 -0.374 0.000 1.058 387 I HN -0.108 nan 8.210 nan 0.000 0.396 388 E N 4.355 124.442 120.200 -0.188 0.000 2.480 388 E HA 0.146 4.496 4.350 -0.001 0.000 0.258 388 E C -2.106 174.399 176.600 -0.157 0.000 0.984 388 E CA -1.608 54.699 56.400 -0.156 0.000 0.930 388 E CB -0.042 29.582 29.700 -0.127 0.000 0.936 388 E HN 0.248 nan 8.360 nan 0.000 0.466 389 P HA -0.073 nan 4.420 nan 0.000 0.268 389 P C -0.342 176.891 177.300 -0.112 0.000 1.208 389 P CA 0.344 63.368 63.100 -0.127 0.000 0.777 389 P CB 0.773 32.417 31.700 -0.093 0.000 0.875 390 A N 1.585 124.351 122.820 -0.089 0.000 2.533 390 A HA 0.170 4.490 4.320 -0.001 0.000 0.180 390 A C 0.102 177.663 177.584 -0.038 0.000 1.566 390 A CA -0.043 51.946 52.037 -0.080 0.000 1.153 390 A CB -0.487 18.463 19.000 -0.084 0.000 1.462 390 A HN 0.465 nan 8.150 nan 0.000 0.523 391 F N 1.922 121.810 119.950 -0.104 0.000 2.495 391 F HA 0.509 5.035 4.527 -0.002 0.000 0.365 391 F C -0.458 175.255 175.800 -0.145 0.000 1.090 391 F CA -0.124 57.832 58.000 -0.074 0.000 1.235 391 F CB 0.608 39.629 39.000 0.036 0.000 1.119 391 F HN 0.114 nan 8.300 nan 0.000 0.562 392 D N 8.045 127.768 120.400 -1.128 0.000 2.470 392 D HA 0.310 4.950 4.640 -0.001 0.000 0.233 392 D C -2.210 173.464 176.300 -1.044 0.000 1.372 392 D CA -1.963 51.474 54.000 -0.938 0.000 0.994 392 D CB 1.844 42.331 40.800 -0.521 0.000 1.377 392 D HN 0.137 nan 8.370 nan 0.000 0.586 393 P HA -0.147 nan 4.420 nan 0.000 0.218 393 P C 1.338 178.324 177.300 -0.524 0.000 1.147 393 P CA 1.078 63.659 63.100 -0.865 0.000 0.827 393 P CB 0.205 31.622 31.700 -0.472 0.000 0.778 394 L N -1.823 119.150 121.223 -0.416 0.000 2.478 394 L HA -0.005 4.335 4.340 -0.001 0.000 0.223 394 L C 1.884 178.583 176.870 -0.286 0.000 1.140 394 L CA 1.086 55.759 54.840 -0.279 0.000 0.842 394 L CB -0.586 41.339 42.059 -0.223 0.000 0.953 394 L HN -0.008 nan 8.230 nan 0.000 0.452 395 K N 0.712 120.871 120.400 -0.401 0.000 2.356 395 K HA 0.201 4.520 4.320 -0.001 0.000 0.195 395 K C 0.966 177.431 176.600 -0.226 0.000 1.037 395 K CA -0.004 56.030 56.287 -0.422 0.000 1.014 395 K CB 0.277 32.305 32.500 -0.787 0.000 0.815 395 K HN 0.152 nan 8.250 nan 0.000 0.507 396 A N 2.577 125.241 122.820 -0.259 0.000 2.561 396 A HA -0.003 4.316 4.320 -0.001 0.000 0.251 396 A C -0.304 177.236 177.584 -0.074 0.000 1.062 396 A CA 0.353 52.302 52.037 -0.147 0.000 0.761 396 A CB 0.017 18.874 19.000 -0.238 0.000 0.986 396 A HN 0.193 nan 8.150 nan 0.000 0.510 397 R N 2.116 122.566 120.500 -0.083 0.000 2.514 397 R HA 0.550 4.889 4.340 -0.001 0.000 0.301 397 R C -1.367 174.665 176.300 -0.446 0.000 0.962 397 R CA -0.730 55.260 56.100 -0.183 0.000 0.882 397 R CB 1.899 32.135 30.300 -0.106 0.000 1.143 397 R HN 0.408 nan 8.270 nan 0.000 0.452 398 V N 4.324 124.049 119.914 -0.315 0.000 2.448 398 V HA 0.338 4.457 4.120 -0.001 0.000 0.295 398 V C -1.193 174.833 176.094 -0.112 0.000 1.025 398 V CA -0.746 61.384 62.300 -0.285 0.000 0.859 398 V CB 1.225 32.991 31.823 -0.095 0.000 0.988 398 V HN 0.541 nan 8.190 nan 0.000 0.431 399 Y N 3.747 123.922 120.300 -0.209 0.000 2.328 399 Y HA 0.567 5.116 4.550 -0.001 0.000 0.336 399 Y C 0.408 175.931 175.900 -0.629 0.000 0.960 399 Y CA -2.016 55.869 58.100 -0.358 0.000 1.134 399 Y CB 1.531 39.710 38.460 -0.469 0.000 1.166 399 Y HN 0.854 nan 8.280 nan 0.000 0.464 400 D N -1.728 118.635 120.400 -0.061 0.000 2.475 400 D HA -0.018 4.622 4.640 -0.001 0.000 0.306 400 D C -0.104 176.382 176.300 0.311 0.000 1.304 400 D CA 0.024 54.096 54.000 0.119 0.000 0.862 400 D CB -0.569 40.298 40.800 0.112 0.000 1.306 400 D HN 0.197 nan 8.370 nan 0.000 0.494 401 S N 0.471 116.302 115.700 0.217 0.000 3.697 401 S HA 0.205 4.674 4.470 -0.001 0.000 0.207 401 S C 1.516 175.793 174.600 -0.540 0.000 1.459 401 S CA 0.116 58.115 58.200 -0.335 0.000 1.122 401 S CB -0.240 62.462 63.200 -0.829 0.000 1.311 401 S HN 0.264 nan 8.310 nan 0.000 0.487 402 S N 2.418 118.120 115.700 0.003 0.000 2.372 402 S HA -0.228 4.242 4.470 -0.001 0.000 0.227 402 S C 1.959 176.474 174.600 -0.142 0.000 1.044 402 S CA 1.067 59.258 58.200 -0.014 0.000 1.050 402 S CB -1.297 61.955 63.200 0.088 0.000 0.901 402 S HN 0.937 nan 8.310 nan 0.000 0.447 403 W N 2.790 124.043 121.300 -0.078 0.000 2.301 403 W HA -0.215 4.444 4.660 -0.001 0.000 0.325 403 W C 2.150 178.571 176.519 -0.163 0.000 1.250 403 W CA 1.304 58.594 57.345 -0.092 0.000 1.261 403 W CB -1.680 27.732 29.460 -0.080 0.000 1.157 403 W HN 0.437 nan 8.180 nan 0.000 0.473 404 N N 0.560 118.587 118.700 -1.122 0.000 2.120 404 N HA -0.200 4.540 4.740 -0.001 0.000 0.188 404 N C 1.755 176.939 175.510 -0.545 0.000 1.024 404 N CA 2.256 54.687 53.050 -1.032 0.000 0.852 404 N CB -0.813 36.541 38.487 -1.888 0.000 1.003 404 N HN 0.361 nan 8.380 nan 0.000 0.424 405 W N 1.305 122.417 121.300 -0.313 0.000 2.363 405 W HA -0.035 4.624 4.660 -0.001 0.000 0.296 405 W C 2.657 179.111 176.519 -0.108 0.000 1.212 405 W CA 0.279 57.506 57.345 -0.198 0.000 1.260 405 W CB -0.242 29.087 29.460 -0.219 0.000 1.131 405 W HN 0.118 nan 8.180 nan 0.000 0.530 406 A N 1.740 124.630 122.820 0.116 0.000 1.849 406 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 406 A C 1.894 179.571 177.584 0.153 0.000 1.202 406 A CA 2.250 54.357 52.037 0.116 0.000 0.629 406 A CB -1.054 18.012 19.000 0.111 0.000 0.834 406 A HN 0.334 nan 8.150 nan 0.000 0.447 407 R N -0.553 120.029 120.500 0.137 0.000 2.139 407 R HA -0.221 4.119 4.340 -0.001 0.000 0.243 407 R C 2.477 178.927 176.300 0.250 0.000 1.145 407 R CA 1.714 57.936 56.100 0.204 0.000 0.976 407 R CB -0.407 29.752 30.300 -0.235 0.000 0.866 407 R HN 0.841 nan 8.270 nan 0.000 0.449 408 Q N 1.076 120.967 119.800 0.151 0.000 1.990 408 Q HA -0.172 4.167 4.340 -0.001 0.000 0.200 408 Q C 1.143 177.229 176.000 0.144 0.000 0.980 408 Q CA 1.898 57.796 55.803 0.158 0.000 0.832 408 Q CB 0.103 28.962 28.738 0.201 0.000 0.897 408 Q HN 0.220 nan 8.270 nan 0.000 0.427 409 D N 0.628 121.101 120.400 0.123 0.000 2.144 409 D HA -0.142 4.498 4.640 -0.001 0.000 0.199 409 D C 1.699 178.058 176.300 0.098 0.000 0.984 409 D CA 1.267 55.314 54.000 0.079 0.000 0.834 409 D CB -0.445 40.385 40.800 0.049 0.000 0.955 409 D HN 0.434 nan 8.370 nan 0.000 0.465 410 A N 1.219 124.120 122.820 0.135 0.000 1.834 410 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 410 A C 2.257 179.902 177.584 0.101 0.000 1.203 410 A CA 1.403 53.515 52.037 0.125 0.000 0.621 410 A CB -1.165 17.947 19.000 0.187 0.000 0.841 410 A HN 0.291 nan 8.150 nan 0.000 0.446 411 L N -0.450 120.849 121.223 0.126 0.000 2.261 411 L HA -0.140 4.199 4.340 -0.001 0.000 0.216 411 L C 2.609 179.604 176.870 0.208 0.000 1.114 411 L CA 1.820 56.686 54.840 0.043 0.000 0.777 411 L CB -0.158 41.970 42.059 0.115 0.000 0.910 411 L HN 0.455 nan 8.230 nan 0.000 0.440 412 S N -0.687 115.117 115.700 0.174 0.000 2.371 412 S HA -0.217 4.253 4.470 -0.001 0.000 0.224 412 S C 1.989 176.693 174.600 0.173 0.000 1.029 412 S CA 1.505 59.801 58.200 0.159 0.000 0.978 412 S CB -0.182 63.063 63.200 0.076 0.000 0.833 412 S HN 0.560 nan 8.310 nan 0.000 0.466 413 M N -0.304 119.375 119.600 0.133 0.000 2.156 413 M HA -0.050 4.430 4.480 -0.001 0.000 0.264 413 M C 1.870 178.241 176.300 0.119 0.000 1.067 413 M CA 1.501 56.860 55.300 0.099 0.000 1.131 413 M CB -0.413 32.222 32.600 0.058 0.000 1.368 413 M HN 0.603 nan 8.290 nan 0.000 0.416 414 Y N 0.371 120.653 120.300 -0.030 0.000 2.040 414 Y HA -0.385 4.165 4.550 -0.001 0.000 0.275 414 Y C 1.683 177.507 175.900 -0.127 0.000 1.171 414 Y CA 2.409 60.429 58.100 -0.133 0.000 1.123 414 Y CB -0.747 37.561 38.460 -0.253 0.000 0.963 414 Y HN 0.241 nan 8.280 nan 0.000 0.493 415 Y N 0.570 121.133 120.300 0.438 0.000 2.421 415 Y HA -0.209 4.340 4.550 -0.001 0.000 0.292 415 Y C 2.233 178.304 175.900 0.285 0.000 1.136 415 Y CA 1.182 59.511 58.100 0.381 0.000 1.255 415 Y CB -0.362 38.319 38.460 0.370 0.000 0.991 415 Y HN 0.267 nan 8.280 nan 0.000 0.552 416 D N 0.145 120.707 120.400 0.270 0.000 2.117 416 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 416 D C 2.190 178.549 176.300 0.099 0.000 0.982 416 D CA 1.201 55.297 54.000 0.159 0.000 0.828 416 D CB -0.259 40.590 40.800 0.080 0.000 0.967 416 D HN 0.312 nan 8.370 nan 0.000 0.464 417 I N 0.995 121.564 120.570 -0.002 0.000 2.142 417 I HA -0.228 3.941 4.170 -0.001 0.000 0.240 417 I C 2.307 178.339 176.117 -0.142 0.000 1.078 417 I CA 0.764 62.010 61.300 -0.089 0.000 1.343 417 I CB -0.058 37.839 38.000 -0.173 0.000 1.046 417 I HN -0.029 nan 8.210 nan 0.000 0.405 418 I N -0.404 120.010 120.570 -0.259 0.000 2.530 418 I HA -0.285 3.884 4.170 -0.001 0.000 0.257 418 I C 1.786 177.662 176.117 -0.403 0.000 1.179 418 I CA 1.622 62.626 61.300 -0.494 0.000 1.440 418 I CB -0.385 37.133 38.000 -0.804 0.000 1.087 418 I HN 0.180 nan 8.210 nan 0.000 0.440 419 F N 0.318 120.209 119.950 -0.099 0.000 2.731 419 F HA 0.277 4.803 4.527 -0.001 0.000 0.298 419 F C 1.767 177.549 175.800 -0.030 0.000 1.106 419 F CA 0.583 58.563 58.000 -0.033 0.000 1.329 419 F CB 0.382 39.389 39.000 0.011 0.000 1.100 419 F HN 0.143 nan 8.300 nan 0.000 0.592 420 G N 0.844 109.703 108.800 0.098 0.000 2.149 420 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.235 420 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.235 420 G C 1.120 176.055 174.900 0.059 0.000 1.018 420 G CA 0.233 45.362 45.100 0.049 0.000 0.728 420 G HN 0.356 nan 8.290 nan 0.000 0.508 421 R N -1.017 119.529 120.500 0.076 0.000 2.189 421 R HA 0.299 4.639 4.340 -0.001 0.000 0.218 421 R C 1.008 177.318 176.300 0.017 0.000 1.074 421 R CA 0.717 56.841 56.100 0.039 0.000 0.991 421 R CB 0.168 30.488 30.300 0.032 0.000 0.883 421 R HN 0.446 nan 8.270 nan 0.000 0.457 422 L N 1.311 122.542 121.223 0.013 0.000 2.381 422 L HA 0.430 4.770 4.340 -0.001 0.000 0.274 422 L C -0.460 176.401 176.870 -0.014 0.000 0.988 422 L CA -0.748 54.090 54.840 -0.004 0.000 0.824 422 L CB 2.047 44.101 42.059 -0.008 0.000 1.263 422 L HN 0.005 nan 8.230 nan 0.000 0.410 423 R N 1.693 122.184 120.500 -0.015 0.000 2.720 423 R HA 0.383 4.723 4.340 -0.001 0.000 0.272 423 R C 0.756 177.042 176.300 -0.022 0.000 0.991 423 R CA -0.886 55.202 56.100 -0.020 0.000 1.010 423 R CB 1.647 31.938 30.300 -0.015 0.000 1.141 423 R HN 0.373 nan 8.270 nan 0.000 0.494 424 V N 1.009 120.908 119.914 -0.025 0.000 3.078 424 V HA -0.154 3.965 4.120 -0.001 0.000 0.265 424 V C 2.014 178.096 176.094 -0.020 0.000 1.122 424 V CA 0.909 63.194 62.300 -0.024 0.000 1.141 424 V CB -0.874 30.934 31.823 -0.026 0.000 0.735 424 V HN 0.592 nan 8.190 nan 0.000 0.498 425 V N 0.056 119.958 119.914 -0.019 0.000 2.220 425 V HA -0.210 3.909 4.120 -0.001 0.000 0.242 425 V C 0.817 176.901 176.094 -0.017 0.000 1.041 425 V CA 1.293 63.583 62.300 -0.017 0.000 0.990 425 V CB -0.805 31.008 31.823 -0.016 0.000 0.634 425 V HN 0.550 nan 8.190 nan 0.000 0.452 426 D N 1.230 121.620 120.400 -0.017 0.000 2.982 426 D HA -0.111 4.528 4.640 -0.001 0.000 0.222 426 D C 1.317 177.606 176.300 -0.018 0.000 1.124 426 D CA 0.344 54.334 54.000 -0.017 0.000 0.810 426 D CB 0.149 40.939 40.800 -0.017 0.000 1.152 426 D HN 0.194 nan 8.370 nan 0.000 0.538 427 R N 2.390 122.879 120.500 -0.018 0.000 2.211 427 R HA -0.159 4.180 4.340 -0.001 0.000 0.240 427 R C 1.606 177.892 176.300 -0.024 0.000 1.144 427 R CA 0.659 56.748 56.100 -0.019 0.000 0.992 427 R CB 0.004 30.294 30.300 -0.015 0.000 0.869 427 R HN 0.529 nan 8.270 nan 0.000 0.462 428 E N 0.823 121.009 120.200 -0.023 0.000 2.048 428 E HA -0.192 4.157 4.350 -0.001 0.000 0.202 428 E C 2.085 178.671 176.600 -0.024 0.000 1.021 428 E CA 1.133 57.518 56.400 -0.025 0.000 0.825 428 E CB -0.303 29.383 29.700 -0.023 0.000 0.756 428 E HN 0.344 nan 8.360 nan 0.000 0.454 429 I N 0.783 121.340 120.570 -0.021 0.000 2.236 429 I HA -0.301 3.868 4.170 -0.001 0.000 0.249 429 I C 2.413 178.518 176.117 -0.020 0.000 1.102 429 I CA 0.877 62.166 61.300 -0.019 0.000 1.365 429 I CB -0.463 37.525 38.000 -0.021 0.000 1.051 429 I HN -0.020 nan 8.210 nan 0.000 0.420 430 V N 0.140 120.040 119.914 -0.023 0.000 2.223 430 V HA -0.279 3.841 4.120 -0.001 0.000 0.244 430 V C 2.503 178.579 176.094 -0.031 0.000 1.045 430 V CA 2.162 64.447 62.300 -0.026 0.000 1.000 430 V CB -0.843 30.962 31.823 -0.030 0.000 0.635 430 V HN 0.358 nan 8.190 nan 0.000 0.445 431 S N -0.407 115.271 115.700 -0.037 0.000 2.389 431 S HA -0.377 4.093 4.470 -0.001 0.000 0.229 431 S C 2.014 176.595 174.600 -0.031 0.000 1.048 431 S CA 2.305 60.481 58.200 -0.041 0.000 1.117 431 S CB -0.539 62.635 63.200 -0.043 0.000 1.020 431 S HN 0.666 nan 8.310 nan 0.000 0.430 432 Q N -0.412 119.372 119.800 -0.026 0.000 2.077 432 Q HA -0.193 4.147 4.340 -0.001 0.000 0.206 432 Q C 2.556 178.551 176.000 -0.009 0.000 0.989 432 Q CA 1.621 57.412 55.803 -0.019 0.000 0.853 432 Q CB -0.614 28.116 28.738 -0.014 0.000 0.907 432 Q HN 0.562 nan 8.270 nan 0.000 0.418 433 C N 0.498 119.793 119.300 -0.009 0.000 2.413 433 C HA -0.149 4.310 4.460 -0.001 0.000 0.276 433 C C 2.627 177.616 174.990 -0.002 0.000 1.248 433 C CA 0.595 59.612 59.018 -0.002 0.000 1.742 433 C CB -0.966 26.770 27.740 -0.007 0.000 2.017 433 C HN 0.458 nan 8.230 nan 0.000 0.481 434 I N -0.057 120.505 120.570 -0.012 0.000 2.226 434 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 434 I C 2.593 178.709 176.117 -0.003 0.000 1.100 434 I CA 1.395 62.688 61.300 -0.013 0.000 1.374 434 I CB -0.727 37.257 38.000 -0.027 0.000 1.057 434 I HN 0.282 nan 8.210 nan 0.000 0.413 435 Q N 1.025 120.821 119.800 -0.006 0.000 2.050 435 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 435 Q C 2.211 178.217 176.000 0.009 0.000 0.980 435 Q CA 1.623 57.423 55.803 -0.005 0.000 0.840 435 Q CB -0.298 28.427 28.738 -0.021 0.000 0.898 435 Q HN 0.520 nan 8.270 nan 0.000 0.424 436 I N -0.306 120.274 120.570 0.018 0.000 2.264 436 I HA -0.300 3.869 4.170 -0.001 0.000 0.248 436 I C 2.034 178.176 176.117 0.041 0.000 1.111 436 I CA 1.133 62.456 61.300 0.038 0.000 1.382 436 I CB -0.449 37.579 38.000 0.045 0.000 1.060 436 I HN 0.294 nan 8.210 nan 0.000 0.418 437 M N 0.148 119.765 119.600 0.028 0.000 2.175 437 M HA -0.141 4.339 4.480 -0.001 0.000 0.264 437 M C 1.860 178.178 176.300 0.030 0.000 1.063 437 M CA 1.421 56.738 55.300 0.028 0.000 1.119 437 M CB -0.691 31.919 32.600 0.016 0.000 1.377 437 M HN 0.225 nan 8.290 nan 0.000 0.415 438 N N 1.381 120.095 118.700 0.025 0.000 2.272 438 N HA -0.093 4.647 4.740 -0.001 0.000 0.185 438 N C 0.247 175.779 175.510 0.037 0.000 1.014 438 N CA 0.999 54.065 53.050 0.027 0.000 0.870 438 N CB -0.059 38.440 38.487 0.021 0.000 0.975 438 N HN 0.422 nan 8.380 nan 0.000 0.433 439 R N -0.011 120.515 120.500 0.043 0.000 3.301 439 R HA 0.331 4.670 4.340 -0.001 0.000 0.286 439 R C -0.564 175.780 176.300 0.075 0.000 1.386 439 R CA -0.187 55.950 56.100 0.062 0.000 1.607 439 R CB 0.593 30.931 30.300 0.063 0.000 1.305 439 R HN -0.173 nan 8.270 nan 0.000 0.637 440 S N 1.772 117.511 115.700 0.065 0.000 2.416 440 S HA 0.247 4.716 4.470 -0.001 0.000 0.287 440 S C -0.241 174.400 174.600 0.069 0.000 1.139 440 S CA -0.452 57.788 58.200 0.066 0.000 1.058 440 S CB 0.142 63.372 63.200 0.051 0.000 0.967 440 S HN 0.354 nan 8.310 nan 0.000 0.495 441 N N 3.572 122.321 118.700 0.081 0.000 2.384 441 N HA 0.428 5.167 4.740 -0.001 0.000 0.301 441 N C -1.953 173.596 175.510 0.064 0.000 1.133 441 N CA -2.040 51.053 53.050 0.071 0.000 0.853 441 N CB 1.359 39.896 38.487 0.083 0.000 1.241 441 N HN 0.108 nan 8.380 nan 0.000 0.502 442 P HA -0.084 nan 4.420 nan 0.000 0.215 442 P C 1.034 178.364 177.300 0.049 0.000 1.153 442 P CA 1.206 64.330 63.100 0.040 0.000 0.853 442 P CB 0.308 32.022 31.700 0.023 0.000 0.788 443 L N -1.719 119.529 121.223 0.042 0.000 2.201 443 L HA -0.085 4.254 4.340 -0.001 0.000 0.212 443 L C 2.541 179.473 176.870 0.104 0.000 1.105 443 L CA 1.258 56.124 54.840 0.043 0.000 0.775 443 L CB -1.387 40.673 42.059 0.002 0.000 0.913 443 L HN -0.063 nan 8.230 nan 0.000 0.440 444 L N -0.621 120.677 121.223 0.125 0.000 2.027 444 L HA -0.204 4.135 4.340 -0.001 0.000 0.206 444 L C 2.494 179.485 176.870 0.200 0.000 1.074 444 L CA 1.414 56.370 54.840 0.194 0.000 0.745 444 L CB -0.111 42.046 42.059 0.163 0.000 0.898 444 L HN 0.264 nan 8.230 nan 0.000 0.433 445 L N -0.302 120.998 121.223 0.130 0.000 2.013 445 L HA -0.289 4.050 4.340 -0.001 0.000 0.212 445 L C 2.535 179.474 176.870 0.115 0.000 1.073 445 L CA 1.701 56.604 54.840 0.104 0.000 0.753 445 L CB -0.726 41.377 42.059 0.073 0.000 0.890 445 L HN 0.330 nan 8.230 nan 0.000 0.432 446 E N -0.240 120.029 120.200 0.114 0.000 2.033 446 E HA -0.297 4.053 4.350 -0.001 0.000 0.199 446 E C 2.074 178.778 176.600 0.173 0.000 1.011 446 E CA 1.823 58.290 56.400 0.112 0.000 0.815 446 E CB -0.379 29.362 29.700 0.068 0.000 0.755 446 E HN 0.371 nan 8.360 nan 0.000 0.451 447 F N 1.502 121.487 119.950 0.057 0.000 2.161 447 F HA -0.213 4.313 4.527 -0.001 0.000 0.300 447 F C 2.132 178.068 175.800 0.226 0.000 1.089 447 F CA 1.315 59.388 58.000 0.122 0.000 1.282 447 F CB -0.097 38.956 39.000 0.088 0.000 1.010 447 F HN -0.046 nan 8.300 nan 0.000 0.485 448 M N -0.226 119.409 119.600 0.058 0.000 2.066 448 M HA -0.272 4.207 4.480 -0.001 0.000 0.259 448 M C 2.344 178.653 176.300 0.015 0.000 1.074 448 M CA 1.944 57.230 55.300 -0.022 0.000 1.114 448 M CB -1.361 31.271 32.600 0.054 0.000 1.306 448 M HN 0.199 nan 8.290 nan 0.000 0.411 449 Q N -0.709 119.127 119.800 0.060 0.000 2.061 449 Q HA -0.237 4.103 4.340 -0.001 0.000 0.204 449 Q C 1.973 178.011 176.000 0.063 0.000 0.984 449 Q CA 2.127 57.967 55.803 0.061 0.000 0.846 449 Q CB -0.419 28.358 28.738 0.065 0.000 0.902 449 Q HN 0.481 nan 8.270 nan 0.000 0.421 450 Y N 0.387 120.652 120.300 -0.058 0.000 2.069 450 Y HA -0.376 4.174 4.550 -0.001 0.000 0.278 450 Y C 2.148 177.923 175.900 -0.209 0.000 1.175 450 Y CA 2.192 60.191 58.100 -0.168 0.000 1.134 450 Y CB -0.240 38.023 38.460 -0.327 0.000 0.965 450 Y HN 0.299 nan 8.280 nan 0.000 0.498 451 H N -1.193 117.876 119.070 -0.002 0.000 2.489 451 H HA -0.120 4.435 4.556 -0.001 0.000 0.293 451 H C 2.135 177.453 175.328 -0.016 0.000 1.066 451 H CA 1.613 57.584 56.048 -0.127 0.000 1.305 451 H CB 0.033 29.557 29.762 -0.396 0.000 1.386 451 H HN 0.410 nan 8.280 nan 0.000 0.551 452 I N 0.982 121.617 120.570 0.108 0.000 2.400 452 I HA -0.147 4.022 4.170 -0.001 0.000 0.248 452 I C 1.663 177.812 176.117 0.055 0.000 1.109 452 I CA 0.872 62.242 61.300 0.116 0.000 1.425 452 I CB -0.099 37.944 38.000 0.073 0.000 1.094 452 I HN -0.016 nan 8.210 nan 0.000 0.425 453 D N -0.059 120.352 120.400 0.017 0.000 2.087 453 D HA -0.204 4.435 4.640 -0.001 0.000 0.192 453 D C 1.817 178.084 176.300 -0.055 0.000 0.993 453 D CA 1.681 55.674 54.000 -0.012 0.000 0.828 453 D CB -0.678 40.136 40.800 0.023 0.000 0.968 453 D HN 0.502 nan 8.370 nan 0.000 0.448 454 H N -0.604 118.284 119.070 -0.305 0.000 2.556 454 H HA 0.105 4.661 4.556 -0.001 0.000 0.273 454 H C 0.507 175.774 175.328 -0.100 0.000 1.030 454 H CA -0.521 55.368 56.048 -0.266 0.000 1.156 454 H CB -0.234 29.238 29.762 -0.483 0.000 1.326 454 H HN 0.088 nan 8.280 nan 0.000 0.609 455 C N 4.031 123.387 119.300 0.094 0.000 2.592 455 C HA 0.065 4.524 4.460 -0.001 0.000 0.408 455 C C -1.903 173.140 174.990 0.089 0.000 1.436 455 C CA -1.332 57.791 59.018 0.176 0.000 1.595 455 C CB -0.365 27.484 27.740 0.180 0.000 2.487 455 C HN 0.246 nan 8.230 nan 0.000 0.610 456 P HA 0.200 nan 4.420 nan 0.000 0.279 456 P C 0.614 177.825 177.300 -0.149 0.000 1.318 456 P CA 0.118 63.165 63.100 -0.088 0.000 0.819 456 P CB 0.714 32.294 31.700 -0.201 0.000 0.927 457 T N -0.812 113.690 114.554 -0.087 0.000 3.054 457 T HA -0.076 4.273 4.350 -0.001 0.000 0.259 457 T C 0.911 175.549 174.700 -0.104 0.000 1.092 457 T CA 0.244 62.315 62.100 -0.048 0.000 1.121 457 T CB -0.251 68.601 68.868 -0.026 0.000 0.912 457 T HN 0.355 nan 8.240 nan 0.000 0.489 458 E N 2.171 122.284 120.200 -0.145 0.000 2.705 458 E HA 0.119 4.468 4.350 -0.001 0.000 0.272 458 E C 0.715 177.198 176.600 -0.195 0.000 1.528 458 E CA -0.118 56.199 56.400 -0.137 0.000 1.750 458 E CB -0.131 29.499 29.700 -0.116 0.000 1.439 458 E HN 0.521 nan 8.360 nan 0.000 0.449 459 R N -0.697 119.658 120.500 -0.242 0.000 2.716 459 R HA 0.271 4.611 4.340 -0.001 0.000 0.186 459 R C 0.622 176.865 176.300 -0.095 0.000 0.830 459 R CA 0.586 56.520 56.100 -0.275 0.000 1.059 459 R CB 1.201 31.092 30.300 -0.682 0.000 1.531 459 R HN 0.255 nan 8.270 nan 0.000 0.633 460 G N 0.015 108.823 108.800 0.013 0.000 2.646 460 G HA2 0.205 4.164 3.960 -0.001 0.000 0.291 460 G HA3 0.205 4.164 3.960 -0.001 0.000 0.291 460 G C -0.433 174.515 174.900 0.079 0.000 1.445 460 G CA -0.559 44.595 45.100 0.090 0.000 0.814 460 G HN -0.019 nan 8.290 nan 0.000 0.495 461 E N -0.425 119.794 120.200 0.031 0.000 2.153 461 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 461 E C 2.590 179.185 176.600 -0.009 0.000 0.988 461 E CA 1.869 58.272 56.400 0.005 0.000 0.811 461 E CB -0.050 29.645 29.700 -0.008 0.000 0.746 461 E HN 0.605 nan 8.360 nan 0.000 0.466 462 T N -0.931 113.609 114.554 -0.023 0.000 2.777 462 T HA -0.206 4.143 4.350 -0.001 0.000 0.266 462 T C 1.797 176.398 174.700 -0.164 0.000 1.040 462 T CA 0.988 63.021 62.100 -0.111 0.000 1.141 462 T CB -0.666 68.094 68.868 -0.180 0.000 0.868 462 T HN 0.156 nan 8.240 nan 0.000 0.444 463 Y N 1.727 121.930 120.300 -0.163 0.000 2.207 463 Y HA -0.094 4.456 4.550 -0.001 0.000 0.287 463 Y C 3.047 178.848 175.900 -0.164 0.000 1.156 463 Y CA 1.527 59.513 58.100 -0.191 0.000 1.182 463 Y CB -0.462 37.915 38.460 -0.138 0.000 0.979 463 Y HN 0.245 nan 8.280 nan 0.000 0.521 464 Q N 0.046 119.870 119.800 0.039 0.000 1.990 464 Q HA -0.165 4.175 4.340 -0.001 0.000 0.200 464 Q C 2.176 178.145 176.000 -0.050 0.000 0.980 464 Q CA 1.394 57.191 55.803 -0.010 0.000 0.832 464 Q CB -0.630 28.103 28.738 -0.009 0.000 0.897 464 Q HN 0.405 nan 8.270 nan 0.000 0.427 465 L N 0.386 121.572 121.223 -0.062 0.000 2.137 465 L HA -0.181 4.158 4.340 -0.001 0.000 0.213 465 L C 1.889 178.694 176.870 -0.108 0.000 1.085 465 L CA 2.366 57.160 54.840 -0.075 0.000 0.760 465 L CB -1.249 40.765 42.059 -0.075 0.000 0.893 465 L HN 0.298 nan 8.230 nan 0.000 0.434 466 A N -0.255 122.464 122.820 -0.168 0.000 1.825 466 A HA -0.262 4.057 4.320 -0.001 0.000 0.214 466 A C 2.418 179.904 177.584 -0.164 0.000 1.206 466 A CA 1.837 53.729 52.037 -0.242 0.000 0.609 466 A CB -0.833 17.882 19.000 -0.475 0.000 0.851 466 A HN 0.481 nan 8.150 nan 0.000 0.445 467 K N -0.023 120.297 120.400 -0.133 0.000 2.144 467 K HA -0.280 4.040 4.320 -0.001 0.000 0.209 467 K C 1.993 178.568 176.600 -0.043 0.000 1.047 467 K CA 2.116 58.368 56.287 -0.060 0.000 0.927 467 K CB -0.176 32.307 32.500 -0.028 0.000 0.716 467 K HN 0.689 nan 8.250 nan 0.000 0.454 468 E N 0.519 120.690 120.200 -0.049 0.000 2.001 468 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 468 E C 2.061 178.641 176.600 -0.034 0.000 0.994 468 E CA 1.397 57.776 56.400 -0.036 0.000 0.815 468 E CB -0.207 29.472 29.700 -0.036 0.000 0.770 468 E HN 0.343 nan 8.360 nan 0.000 0.453 469 L N 0.659 121.856 121.223 -0.044 0.000 2.137 469 L HA -0.196 4.143 4.340 -0.001 0.000 0.213 469 L C 2.556 179.410 176.870 -0.028 0.000 1.085 469 L CA 1.234 56.052 54.840 -0.037 0.000 0.760 469 L CB -0.766 41.264 42.059 -0.049 0.000 0.893 469 L HN 0.392 nan 8.230 nan 0.000 0.434 470 G N -0.807 107.973 108.800 -0.032 0.000 2.453 470 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.215 470 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.215 470 G C 1.472 176.374 174.900 0.003 0.000 1.201 470 G CA 0.711 45.806 45.100 -0.009 0.000 0.784 470 G HN 0.265 nan 8.290 nan 0.000 0.545 471 Q N 0.199 119.999 119.800 -0.001 0.000 2.135 471 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 471 Q C 2.501 178.503 176.000 0.002 0.000 0.981 471 Q CA 2.044 57.849 55.803 0.003 0.000 0.856 471 Q CB -0.533 28.204 28.738 -0.002 0.000 0.902 471 Q HN 0.690 nan 8.270 nan 0.000 0.425 472 Q N -0.597 119.201 119.800 -0.004 0.000 2.045 472 Q HA -0.225 4.114 4.340 -0.001 0.000 0.206 472 Q C 2.004 178.005 176.000 0.002 0.000 0.991 472 Q CA 1.922 57.724 55.803 -0.003 0.000 0.851 472 Q CB -0.364 28.369 28.738 -0.009 0.000 0.911 472 Q HN 0.477 nan 8.270 nan 0.000 0.418 473 L N 0.852 122.077 121.223 0.003 0.000 2.017 473 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 473 L C 2.267 179.148 176.870 0.018 0.000 1.073 473 L CA 1.588 56.434 54.840 0.010 0.000 0.745 473 L CB -0.455 41.611 42.059 0.012 0.000 0.894 473 L HN 0.338 nan 8.230 nan 0.000 0.432 474 I N -0.528 120.054 120.570 0.021 0.000 2.248 474 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 474 I C 2.360 178.492 176.117 0.025 0.000 1.107 474 I CA 1.088 62.405 61.300 0.028 0.000 1.373 474 I CB -0.560 37.458 38.000 0.029 0.000 1.055 474 I HN 0.359 nan 8.210 nan 0.000 0.418 475 E N 0.781 120.992 120.200 0.017 0.000 2.046 475 E HA -0.139 4.211 4.350 -0.001 0.000 0.190 475 E C 1.882 178.491 176.600 0.014 0.000 0.982 475 E CA 0.816 57.225 56.400 0.015 0.000 0.800 475 E CB -0.484 29.221 29.700 0.009 0.000 0.756 475 E HN 0.473 nan 8.360 nan 0.000 0.449 476 N N 1.165 119.872 118.700 0.012 0.000 2.011 476 N HA -0.175 4.565 4.740 -0.001 0.000 0.199 476 N C 2.078 177.598 175.510 0.016 0.000 1.047 476 N CA 1.650 54.706 53.050 0.011 0.000 0.863 476 N CB -0.926 37.566 38.487 0.008 0.000 1.056 476 N HN 0.196 nan 8.380 nan 0.000 0.427 477 C N 1.185 120.499 119.300 0.023 0.000 2.403 477 C HA -0.090 4.370 4.460 -0.001 0.000 0.279 477 C C 2.430 177.438 174.990 0.030 0.000 1.269 477 C CA 0.352 59.388 59.018 0.030 0.000 1.774 477 C CB -0.889 26.875 27.740 0.041 0.000 1.993 477 C HN 0.487 nan 8.230 nan 0.000 0.496 478 K N 1.109 121.525 120.400 0.027 0.000 2.057 478 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 478 K C 1.843 178.455 176.600 0.021 0.000 1.050 478 K CA 1.641 57.943 56.287 0.025 0.000 0.935 478 K CB -0.298 32.216 32.500 0.023 0.000 0.715 478 K HN 0.753 nan 8.250 nan 0.000 0.439 479 E N 0.554 120.764 120.200 0.017 0.000 2.494 479 E HA -0.021 4.329 4.350 -0.001 0.000 0.193 479 E C 0.940 177.549 176.600 0.014 0.000 1.074 479 E CA 0.316 56.724 56.400 0.014 0.000 0.867 479 E CB 0.337 30.044 29.700 0.010 0.000 0.924 479 E HN 0.003 nan 8.360 nan 0.000 0.502 480 V N 0.533 120.457 119.914 0.017 0.000 3.612 480 V HA 0.110 4.230 4.120 -0.001 0.000 0.268 480 V C 0.977 177.085 176.094 0.022 0.000 1.365 480 V CA -0.306 62.005 62.300 0.018 0.000 1.044 480 V CB -0.040 31.793 31.823 0.018 0.000 0.820 480 V HN 0.256 nan 8.190 nan 0.000 0.444 481 L N 2.452 123.690 121.223 0.025 0.000 2.700 481 L HA 0.227 4.566 4.340 -0.001 0.000 0.276 481 L C 1.569 178.454 176.870 0.025 0.000 1.200 481 L CA 1.582 56.440 54.840 0.028 0.000 0.951 481 L CB -0.405 41.671 42.059 0.028 0.000 1.226 481 L HN 0.499 nan 8.230 nan 0.000 0.489 482 G N 2.557 111.374 108.800 0.028 0.000 2.454 482 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.225 482 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.225 482 G C 0.395 175.309 174.900 0.023 0.000 1.138 482 G CA -0.208 44.907 45.100 0.025 0.000 0.667 482 G HN 0.540 nan 8.290 nan 0.000 0.512 483 K N 2.486 122.898 120.400 0.020 0.000 2.436 483 K HA 0.342 4.662 4.320 -0.001 0.000 0.282 483 K C -2.229 174.382 176.600 0.018 0.000 1.044 483 K CA -1.034 55.262 56.287 0.016 0.000 1.028 483 K CB 0.403 32.910 32.500 0.013 0.000 0.919 483 K HN 0.170 nan 8.250 nan 0.000 0.474 484 P HA -0.096 nan 4.420 nan 0.000 0.263 484 P C -2.402 174.908 177.300 0.016 0.000 1.162 484 P CA -0.449 62.661 63.100 0.017 0.000 0.758 484 P CB -0.174 31.532 31.700 0.009 0.000 0.773 485 P HA 0.207 nan 4.420 nan 0.000 0.274 485 P C -0.723 176.595 177.300 0.030 0.000 1.231 485 P CA 0.062 63.182 63.100 0.032 0.000 0.790 485 P CB 0.677 32.405 31.700 0.048 0.000 0.951 486 V N 2.537 122.469 119.914 0.030 0.000 2.789 486 V HA 0.259 4.379 4.120 -0.001 0.000 0.311 486 V C -1.165 174.979 176.094 0.082 0.000 1.073 486 V CA -0.788 61.528 62.300 0.026 0.000 0.921 486 V CB 1.920 33.729 31.823 -0.024 0.000 1.009 486 V HN 0.417 nan 8.190 nan 0.000 0.426 487 Y N 5.422 125.719 120.300 -0.004 0.000 2.452 487 Y HA 0.539 5.088 4.550 -0.001 0.000 0.348 487 Y C -0.121 175.765 175.900 -0.024 0.000 0.985 487 Y CA -0.454 57.657 58.100 0.018 0.000 1.214 487 Y CB 0.397 38.928 38.460 0.118 0.000 1.136 487 Y HN 0.564 nan 8.280 nan 0.000 0.523 488 K N 5.818 125.982 120.400 -0.395 0.000 2.545 488 K HA 0.191 4.510 4.320 -0.001 0.000 0.252 488 K C -1.639 174.626 176.600 -0.558 0.000 0.948 488 K CA -0.703 55.250 56.287 -0.557 0.000 0.827 488 K CB 0.908 33.242 32.500 -0.278 0.000 1.128 488 K HN 0.684 nan 8.250 nan 0.000 0.429 489 D N 3.422 123.310 120.400 -0.853 0.000 2.317 489 D HA 0.136 4.775 4.640 -0.001 0.000 0.252 489 D C 0.322 176.202 176.300 -0.699 0.000 1.174 489 D CA -0.127 53.384 54.000 -0.815 0.000 0.866 489 D CB 1.615 41.591 40.800 -1.374 0.000 1.127 489 D HN 0.259 nan 8.370 nan 0.000 0.467 490 V N 2.317 121.996 119.914 -0.390 0.000 3.477 490 V HA 0.013 4.133 4.120 -0.001 0.000 0.297 490 V C 1.009 177.064 176.094 -0.064 0.000 1.433 490 V CA -0.123 62.067 62.300 -0.183 0.000 1.052 490 V CB -0.106 31.644 31.823 -0.122 0.000 0.895 490 V HN 0.548 nan 8.190 nan 0.000 0.438 491 S N 0.703 116.363 115.700 -0.067 0.000 2.598 491 S HA 0.416 4.886 4.470 -0.001 0.000 0.256 491 S C -0.053 174.649 174.600 0.171 0.000 1.350 491 S CA -0.218 58.020 58.200 0.063 0.000 0.984 491 S CB 0.744 63.993 63.200 0.082 0.000 0.930 491 S HN 0.243 nan 8.310 nan 0.000 0.577 492 I N 2.139 122.764 120.570 0.092 0.000 2.322 492 I HA 0.263 4.433 4.170 -0.001 0.000 0.292 492 I C -2.279 173.844 176.117 0.009 0.000 1.060 492 I CA -2.268 59.056 61.300 0.040 0.000 1.309 492 I CB 0.507 38.502 38.000 -0.008 0.000 1.415 492 I HN 0.396 nan 8.210 nan 0.000 0.492 493 P HA -0.034 nan 4.420 nan 0.000 0.261 493 P C -0.262 176.951 177.300 -0.146 0.000 1.183 493 P CA 0.318 63.273 63.100 -0.242 0.000 0.761 493 P CB 0.481 31.953 31.700 -0.380 0.000 0.785 494 T N 1.588 116.067 114.554 -0.125 0.000 2.907 494 T HA 0.757 5.107 4.350 -0.001 0.000 0.292 494 T C -0.137 174.508 174.700 -0.092 0.000 1.043 494 T CA -0.607 61.439 62.100 -0.090 0.000 1.003 494 T CB 1.230 70.063 68.868 -0.058 0.000 1.084 494 T HN 0.328 nan 8.240 nan 0.000 0.483 495 G N 2.076 110.824 108.800 -0.087 0.000 3.042 495 G HA2 0.777 4.737 3.960 -0.001 0.000 0.278 495 G HA3 0.777 4.737 3.960 -0.001 0.000 0.278 495 G C -3.159 171.705 174.900 -0.060 0.000 1.371 495 G CA -1.711 43.342 45.100 -0.080 0.000 1.009 495 G HN 0.632 nan 8.290 nan 0.000 0.523 496 P HA 0.303 nan 4.420 nan 0.000 0.292 496 P C -1.110 176.201 177.300 0.018 0.000 1.287 496 P CA -0.294 62.864 63.100 0.097 0.000 0.800 496 P CB 1.586 33.389 31.700 0.172 0.000 0.945 497 Q N 2.091 121.841 119.800 -0.084 0.000 2.533 497 Q HA 0.274 4.613 4.340 -0.001 0.000 0.251 497 Q C -0.911 175.100 176.000 0.018 0.000 0.966 497 Q CA -0.362 55.413 55.803 -0.046 0.000 0.714 497 Q CB 1.090 29.767 28.738 -0.101 0.000 1.284 497 Q HN 0.512 nan 8.270 nan 0.000 0.478 498 T N 0.211 114.855 114.554 0.151 0.000 2.806 498 T HA 0.524 4.873 4.350 -0.001 0.000 0.290 498 T C 0.142 174.896 174.700 0.089 0.000 0.966 498 T CA -0.368 61.842 62.100 0.184 0.000 1.060 498 T CB 1.376 70.368 68.868 0.207 0.000 0.927 498 T HN 0.469 nan 8.240 nan 0.000 0.485 499 T N 1.817 116.416 114.554 0.075 0.000 2.861 499 T HA 0.636 4.986 4.350 -0.001 0.000 0.287 499 T C -0.529 174.199 174.700 0.046 0.000 1.003 499 T CA -0.992 61.135 62.100 0.045 0.000 0.977 499 T CB 0.877 69.759 68.868 0.023 0.000 0.996 499 T HN 0.694 nan 8.240 nan 0.000 0.448 500 I N 3.110 123.703 120.570 0.037 0.000 2.339 500 I HA 0.290 4.459 4.170 -0.001 0.000 0.290 500 I C 0.310 176.443 176.117 0.027 0.000 0.994 500 I CA -0.749 60.571 61.300 0.034 0.000 1.191 500 I CB 1.509 39.529 38.000 0.033 0.000 1.343 500 I HN 0.770 nan 8.210 nan 0.000 0.458 501 D N 4.131 124.547 120.400 0.026 0.000 2.364 501 D HA 0.060 4.700 4.640 -0.001 0.000 0.236 501 D C 1.059 177.371 176.300 0.020 0.000 1.221 501 D CA 0.410 54.423 54.000 0.022 0.000 0.891 501 D CB 1.218 42.032 40.800 0.022 0.000 1.190 501 D HN 0.627 nan 8.370 nan 0.000 0.449 502 A N 2.556 125.386 122.820 0.017 0.000 2.015 502 A HA -0.095 4.225 4.320 -0.001 0.000 0.219 502 A C 1.762 179.356 177.584 0.017 0.000 1.163 502 A CA 1.076 53.123 52.037 0.016 0.000 0.646 502 A CB -0.105 18.904 19.000 0.015 0.000 0.806 502 A HN 0.540 nan 8.150 nan 0.000 0.448 503 R N -1.286 119.225 120.500 0.018 0.000 2.568 503 R HA 0.262 4.602 4.340 -0.001 0.000 0.288 503 R C 1.149 177.461 176.300 0.020 0.000 1.077 503 R CA 0.474 56.586 56.100 0.019 0.000 1.102 503 R CB -0.108 30.204 30.300 0.019 0.000 1.278 503 R HN 0.636 nan 8.270 nan 0.000 0.560 504 G N 0.617 109.430 108.800 0.021 0.000 2.253 504 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.251 504 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.251 504 G C 0.088 175.003 174.900 0.025 0.000 0.998 504 G CA -0.308 44.805 45.100 0.023 0.000 0.621 504 G HN 0.370 nan 8.290 nan 0.000 0.524 505 N N 0.938 119.653 118.700 0.026 0.000 2.454 505 N HA 0.252 4.991 4.740 -0.001 0.000 0.260 505 N C 0.464 175.995 175.510 0.034 0.000 1.218 505 N CA 0.581 53.648 53.050 0.029 0.000 0.904 505 N CB 0.599 39.102 38.487 0.027 0.000 1.065 505 N HN 0.421 nan 8.380 nan 0.000 0.462 506 I N 2.186 122.780 120.570 0.040 0.000 2.353 506 I HA 0.187 4.357 4.170 -0.001 0.000 0.293 506 I C 0.495 176.649 176.117 0.063 0.000 0.992 506 I CA -0.282 61.048 61.300 0.051 0.000 1.268 506 I CB 0.981 39.012 38.000 0.051 0.000 1.387 506 I HN 0.229 nan 8.210 nan 0.000 0.478 507 Q N 4.887 124.732 119.800 0.075 0.000 2.423 507 Q HA 0.437 4.776 4.340 -0.001 0.000 0.278 507 Q C -1.767 174.323 176.000 0.150 0.000 1.097 507 Q CA -0.938 54.921 55.803 0.093 0.000 0.809 507 Q CB 3.639 32.410 28.738 0.055 0.000 1.391 507 Q HN 0.580 nan 8.270 nan 0.000 0.428 508 Y N 1.079 121.390 120.300 0.018 0.000 2.331 508 Y HA 0.358 4.907 4.550 -0.001 0.000 0.326 508 Y C -1.171 174.738 175.900 0.014 0.000 1.020 508 Y CA -0.230 57.881 58.100 0.018 0.000 1.136 508 Y CB 1.398 39.875 38.460 0.028 0.000 1.157 508 Y HN 0.566 nan 8.280 nan 0.000 0.444 509 Q N 3.272 122.756 119.800 -0.527 0.000 2.286 509 Q HA 0.454 4.793 4.340 -0.001 0.000 0.250 509 Q C -1.088 174.473 176.000 -0.732 0.000 1.021 509 Q CA -1.263 54.247 55.803 -0.488 0.000 0.930 509 Q CB 1.947 30.546 28.738 -0.232 0.000 1.266 509 Q HN 0.630 nan 8.270 nan 0.000 0.491 510 E N 1.136 121.095 120.200 -0.401 0.000 2.145 510 E HA 0.318 4.668 4.350 -0.001 0.000 0.262 510 E C -1.279 175.220 176.600 -0.168 0.000 0.883 510 E CA -0.317 55.913 56.400 -0.283 0.000 0.748 510 E CB 1.801 31.402 29.700 -0.164 0.000 1.140 510 E HN 0.234 nan 8.360 nan 0.000 0.417 511 V N 3.941 123.766 119.914 -0.147 0.000 2.617 511 V HA 0.287 4.407 4.120 -0.001 0.000 0.298 511 V C -2.166 173.877 176.094 -0.084 0.000 1.048 511 V CA -2.271 59.968 62.300 -0.102 0.000 0.964 511 V CB 1.149 32.917 31.823 -0.091 0.000 1.004 511 V HN 0.534 nan 8.190 nan 0.000 0.466 512 P HA 0.107 nan 4.420 nan 0.000 0.266 512 P C -0.237 177.019 177.300 -0.073 0.000 1.195 512 P CA -0.032 63.027 63.100 -0.069 0.000 0.768 512 P CB 0.337 32.001 31.700 -0.061 0.000 0.838 513 R N 2.396 122.847 120.500 -0.082 0.000 2.489 513 R HA 0.134 4.474 4.340 -0.001 0.000 0.287 513 R C 1.321 177.579 176.300 -0.069 0.000 1.053 513 R CA 0.040 56.094 56.100 -0.077 0.000 1.036 513 R CB 0.299 30.549 30.300 -0.084 0.000 0.966 513 R HN 0.512 nan 8.270 nan 0.000 0.432 514 A N 2.014 124.800 122.820 -0.056 0.000 2.121 514 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 514 A C 1.376 178.931 177.584 -0.049 0.000 1.154 514 A CA 1.424 53.431 52.037 -0.049 0.000 0.679 514 A CB 0.063 19.041 19.000 -0.036 0.000 0.795 514 A HN 0.727 nan 8.150 nan 0.000 0.458 515 S N -2.200 113.473 115.700 -0.045 0.000 2.701 515 S HA 0.660 5.129 4.470 -0.001 0.000 0.242 515 S C 0.266 174.844 174.600 -0.037 0.000 1.025 515 S CA 0.246 58.430 58.200 -0.027 0.000 1.016 515 S CB 0.220 63.423 63.200 0.006 0.000 0.977 515 S HN 0.960 nan 8.310 nan 0.000 0.546 516 A N 1.134 123.899 122.820 -0.092 0.000 2.398 516 A HA 0.827 5.146 4.320 -0.001 0.000 0.301 516 A C 0.481 177.926 177.584 -0.232 0.000 1.041 516 A CA -0.707 51.247 52.037 -0.139 0.000 0.711 516 A CB 1.444 20.437 19.000 -0.011 0.000 1.240 516 A HN 0.065 nan 8.150 nan 0.000 0.420 517 R N 0.852 121.101 120.500 -0.418 0.000 2.144 517 R HA 0.264 4.604 4.340 -0.001 0.000 0.195 517 R C 0.336 176.585 176.300 -0.085 0.000 1.077 517 R CA 0.784 56.728 56.100 -0.259 0.000 1.120 517 R CB -0.114 29.994 30.300 -0.319 0.000 1.060 517 R HN 0.723 nan 8.270 nan 0.000 0.520 518 K N -0.217 120.194 120.400 0.018 0.000 2.419 518 K HA 0.274 4.594 4.320 -0.001 0.000 0.246 518 K C 0.967 177.713 176.600 0.242 0.000 1.037 518 K CA -0.475 55.925 56.287 0.188 0.000 0.982 518 K CB 0.577 33.213 32.500 0.226 0.000 1.283 518 K HN -0.107 nan 8.250 nan 0.000 0.500 519 F N 1.438 121.412 119.950 0.040 0.000 2.615 519 F HA -0.044 4.483 4.527 -0.001 0.000 0.297 519 F C 1.927 177.832 175.800 0.176 0.000 1.124 519 F CA 0.747 58.786 58.000 0.065 0.000 1.451 519 F CB 0.340 39.207 39.000 -0.221 0.000 1.103 519 F HN 0.602 nan 8.300 nan 0.000 0.569 520 E N -0.669 119.684 120.200 0.255 0.000 2.077 520 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 520 E C 1.580 178.230 176.600 0.083 0.000 0.989 520 E CA 1.661 58.145 56.400 0.140 0.000 0.800 520 E CB -0.476 29.257 29.700 0.055 0.000 0.746 520 E HN 0.535 nan 8.360 nan 0.000 0.452 521 H N -0.613 118.503 119.070 0.077 0.000 2.387 521 H HA -0.165 4.390 4.556 -0.001 0.000 0.299 521 H C 1.805 177.167 175.328 0.056 0.000 1.099 521 H CA 1.828 57.904 56.048 0.048 0.000 1.315 521 H CB -0.233 29.547 29.762 0.028 0.000 1.380 521 H HN 0.244 nan 8.280 nan 0.000 0.513 522 Y N 0.811 121.135 120.300 0.040 0.000 2.109 522 Y HA -0.237 4.313 4.550 -0.001 0.000 0.285 522 Y C 2.356 178.295 175.900 0.066 0.000 1.131 522 Y CA 1.283 59.354 58.100 -0.047 0.000 1.121 522 Y CB -0.819 37.458 38.460 -0.304 0.000 0.987 522 Y HN -0.023 nan 8.280 nan 0.000 0.495 523 V N 1.427 121.303 119.914 -0.065 0.000 2.231 523 V HA -0.422 3.697 4.120 -0.001 0.000 0.250 523 V C 2.386 178.407 176.094 -0.122 0.000 1.058 523 V CA 2.641 64.864 62.300 -0.128 0.000 1.022 523 V CB -0.795 31.079 31.823 0.085 0.000 0.640 523 V HN 0.404 nan 8.190 nan 0.000 0.445 524 K N -0.528 119.844 120.400 -0.047 0.000 1.987 524 K HA -0.286 4.034 4.320 -0.001 0.000 0.216 524 K C 2.280 178.868 176.600 -0.020 0.000 1.051 524 K CA 2.104 58.370 56.287 -0.034 0.000 0.942 524 K CB -0.414 32.061 32.500 -0.042 0.000 0.722 524 K HN 0.503 nan 8.250 nan 0.000 0.444 525 Q N -0.203 119.593 119.800 -0.007 0.000 2.173 525 Q HA -0.224 4.115 4.340 -0.001 0.000 0.208 525 Q C 2.215 178.257 176.000 0.071 0.000 0.989 525 Q CA 1.501 57.325 55.803 0.035 0.000 0.872 525 Q CB -0.106 28.662 28.738 0.050 0.000 0.909 525 Q HN 0.335 nan 8.270 nan 0.000 0.420 526 M N -0.324 119.256 119.600 -0.032 0.000 2.062 526 M HA -0.106 4.373 4.480 -0.001 0.000 0.259 526 M C 2.384 178.765 176.300 0.136 0.000 1.076 526 M CA 1.645 56.991 55.300 0.078 0.000 1.122 526 M CB -1.550 30.947 32.600 -0.172 0.000 1.312 526 M HN 0.203 nan 8.290 nan 0.000 0.412 527 A N -0.073 122.763 122.820 0.027 0.000 1.986 527 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 527 A C 2.080 179.688 177.584 0.040 0.000 1.171 527 A CA 1.882 53.941 52.037 0.036 0.000 0.640 527 A CB -0.811 18.190 19.000 0.002 0.000 0.811 527 A HN 0.625 nan 8.150 nan 0.000 0.451 528 E N -1.049 119.171 120.200 0.033 0.000 2.012 528 E HA 0.194 4.544 4.350 -0.001 0.000 0.197 528 E C 1.283 177.868 176.600 -0.024 0.000 1.007 528 E CA 0.828 57.237 56.400 0.016 0.000 0.816 528 E CB -0.215 29.500 29.700 0.025 0.000 0.762 528 E HN 0.766 nan 8.360 nan 0.000 0.451 529 G N -0.933 107.823 108.800 -0.073 0.000 2.318 529 G HA2 0.239 4.199 3.960 -0.001 0.000 0.367 529 G HA3 0.239 4.199 3.960 -0.001 0.000 0.367 529 G C -0.593 174.121 174.900 -0.310 0.000 1.260 529 G CA -0.670 44.216 45.100 -0.356 0.000 1.055 529 G HN 0.595 nan 8.290 nan 0.000 0.484 530 G N -1.407 107.149 108.800 -0.407 0.000 2.704 530 G HA2 0.734 4.693 3.960 -0.001 0.000 0.293 530 G HA3 0.734 4.693 3.960 -0.001 0.000 0.293 530 G C -1.817 173.006 174.900 -0.128 0.000 1.421 530 G CA -0.015 45.011 45.100 -0.124 0.000 0.870 530 G HN 0.510 nan 8.290 nan 0.000 0.492 531 P HA -0.098 nan 4.420 nan 0.000 0.215 531 P C 2.019 179.250 177.300 -0.114 0.000 1.157 531 P CA 0.388 63.447 63.100 -0.068 0.000 0.868 531 P CB 0.265 31.950 31.700 -0.025 0.000 0.788 532 I N -0.125 120.402 120.570 -0.072 0.000 2.399 532 I HA -0.185 3.984 4.170 -0.001 0.000 0.254 532 I C 1.060 176.950 176.117 -0.378 0.000 1.146 532 I CA 1.397 62.640 61.300 -0.096 0.000 1.412 532 I CB -0.581 37.455 38.000 0.060 0.000 1.076 532 I HN -0.100 nan 8.210 nan 0.000 0.432 533 S N 0.827 116.251 115.700 -0.460 0.000 3.983 533 S HA 0.183 4.652 4.470 -0.001 0.000 0.194 533 S C 0.300 174.541 174.600 -0.598 0.000 1.464 533 S CA -0.724 56.920 58.200 -0.926 0.000 1.021 533 S CB -0.481 62.443 63.200 -0.460 0.000 1.424 533 S HN 0.324 nan 8.310 nan 0.000 0.473 534 Q N 1.958 121.444 119.800 -0.523 0.000 2.313 534 Q HA 0.216 4.556 4.340 -0.001 0.000 0.266 534 Q C -1.007 174.943 176.000 -0.082 0.000 0.989 534 Q CA -0.391 55.291 55.803 -0.201 0.000 0.890 534 Q CB 0.042 28.700 28.738 -0.133 0.000 1.200 534 Q HN 0.622 nan 8.270 nan 0.000 0.396 535 Y N 2.900 123.127 120.300 -0.120 0.000 2.857 535 Y HA -0.097 4.452 4.550 -0.001 0.000 0.381 535 Y C 0.813 176.695 175.900 -0.030 0.000 1.369 535 Y CA 0.907 58.976 58.100 -0.052 0.000 1.801 535 Y CB -0.400 38.027 38.460 -0.054 0.000 1.271 535 Y HN 0.611 nan 8.280 nan 0.000 0.493 536 S N 3.246 118.970 115.700 0.040 0.000 2.566 536 S HA -0.060 4.410 4.470 -0.001 0.000 0.280 536 S C 1.558 176.184 174.600 0.043 0.000 1.343 536 S CA -0.510 57.719 58.200 0.048 0.000 1.036 536 S CB 0.562 63.801 63.200 0.066 0.000 0.866 536 S HN 0.787 nan 8.310 nan 0.000 0.526 537 N N 2.614 121.336 118.700 0.038 0.000 2.037 537 N HA -0.196 4.543 4.740 -0.001 0.000 0.196 537 N C 1.858 177.379 175.510 0.018 0.000 1.034 537 N CA 2.002 55.071 53.050 0.032 0.000 0.861 537 N CB -0.693 37.806 38.487 0.021 0.000 1.039 537 N HN 0.778 nan 8.380 nan 0.000 0.427 538 R N 0.403 120.902 120.500 -0.002 0.000 2.073 538 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 538 R C 2.172 178.450 176.300 -0.037 0.000 1.134 538 R CA 2.103 58.188 56.100 -0.024 0.000 0.952 538 R CB -0.605 29.671 30.300 -0.041 0.000 0.850 538 R HN 0.429 nan 8.270 nan 0.000 0.433 539 T N -1.281 113.236 114.554 -0.063 0.000 2.833 539 T HA -0.098 4.251 4.350 -0.001 0.000 0.269 539 T C 1.801 176.454 174.700 -0.079 0.000 1.054 539 T CA 1.224 63.233 62.100 -0.151 0.000 1.135 539 T CB -0.145 68.545 68.868 -0.298 0.000 0.869 539 T HN 0.261 nan 8.240 nan 0.000 0.466 540 K N 0.402 120.850 120.400 0.079 0.000 2.044 540 K HA 0.081 4.401 4.320 -0.001 0.000 0.204 540 K C 2.391 179.055 176.600 0.106 0.000 1.049 540 K CA 1.043 57.463 56.287 0.222 0.000 0.945 540 K CB -0.405 32.225 32.500 0.217 0.000 0.724 540 K HN 0.239 nan 8.250 nan 0.000 0.440 541 V N 2.029 121.977 119.914 0.057 0.000 2.453 541 V HA -0.297 3.822 4.120 -0.001 0.000 0.252 541 V C 2.217 178.338 176.094 0.046 0.000 1.068 541 V CA 1.775 64.100 62.300 0.041 0.000 1.070 541 V CB -0.489 31.344 31.823 0.016 0.000 0.664 541 V HN 0.385 nan 8.190 nan 0.000 0.461 542 Q N -0.399 119.415 119.800 0.024 0.000 2.008 542 Q HA -0.094 4.245 4.340 -0.001 0.000 0.196 542 Q C 2.178 178.209 176.000 0.052 0.000 0.973 542 Q CA 1.296 57.109 55.803 0.016 0.000 0.826 542 Q CB -0.237 28.477 28.738 -0.040 0.000 0.894 542 Q HN 0.568 nan 8.270 nan 0.000 0.439 543 N N 0.952 119.678 118.700 0.043 0.000 2.443 543 N HA -0.122 4.618 4.740 -0.001 0.000 0.184 543 N C 0.851 176.407 175.510 0.077 0.000 1.037 543 N CA 1.056 54.141 53.050 0.058 0.000 0.896 543 N CB -0.093 38.450 38.487 0.094 0.000 0.959 543 N HN 0.234 nan 8.380 nan 0.000 0.442 544 D N 0.500 120.950 120.400 0.084 0.000 2.106 544 D HA 0.028 4.667 4.640 -0.001 0.000 0.203 544 D C 2.156 178.516 176.300 0.099 0.000 0.977 544 D CA 0.418 54.461 54.000 0.071 0.000 0.844 544 D CB -0.389 40.447 40.800 0.060 0.000 1.002 544 D HN 0.138 nan 8.370 nan 0.000 0.461 545 L N 0.704 122.013 121.223 0.143 0.000 2.129 545 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 545 L C 2.556 179.555 176.870 0.215 0.000 1.087 545 L CA 0.963 55.943 54.840 0.234 0.000 0.757 545 L CB -0.315 41.959 42.059 0.358 0.000 0.896 545 L HN -0.005 nan 8.230 nan 0.000 0.434 546 R N 0.369 120.981 120.500 0.186 0.000 2.148 546 R HA -0.190 4.149 4.340 -0.001 0.000 0.230 546 R C 2.476 178.838 176.300 0.103 0.000 1.120 546 R CA 2.252 58.431 56.100 0.133 0.000 0.902 546 R CB -1.116 29.238 30.300 0.089 0.000 0.839 546 R HN 0.485 nan 8.270 nan 0.000 0.431 547 S N 0.431 116.177 115.700 0.077 0.000 2.447 547 S HA -0.062 4.407 4.470 -0.001 0.000 0.233 547 S C 2.234 176.854 174.600 0.034 0.000 1.006 547 S CA 1.112 59.343 58.200 0.051 0.000 0.957 547 S CB -0.483 62.732 63.200 0.025 0.000 0.773 547 S HN 0.065 nan 8.310 nan 0.000 0.507 548 V N 0.873 120.820 119.914 0.054 0.000 2.343 548 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 548 V C 2.127 178.223 176.094 0.003 0.000 1.051 548 V CA 2.031 64.348 62.300 0.029 0.000 1.036 548 V CB -0.890 31.001 31.823 0.113 0.000 0.654 548 V HN 0.612 nan 8.190 nan 0.000 0.451 549 Y N 1.195 121.472 120.300 -0.037 0.000 2.133 549 Y HA -0.203 4.347 4.550 -0.001 0.000 0.287 549 Y C 2.539 178.390 175.900 -0.081 0.000 1.134 549 Y CA 1.830 59.915 58.100 -0.026 0.000 1.133 549 Y CB -0.124 38.152 38.460 -0.306 0.000 0.987 549 Y HN 0.118 nan 8.280 nan 0.000 0.502 550 K N 0.175 120.680 120.400 0.175 0.000 2.281 550 K HA -0.187 4.132 4.320 -0.001 0.000 0.203 550 K C 1.976 178.531 176.600 -0.075 0.000 1.046 550 K CA 1.327 57.666 56.287 0.086 0.000 0.938 550 K CB -0.152 32.403 32.500 0.092 0.000 0.737 550 K HN 0.412 nan 8.250 nan 0.000 0.458 551 L N 0.538 121.689 121.223 -0.119 0.000 2.056 551 L HA -0.088 4.251 4.340 -0.001 0.000 0.202 551 L C 2.223 178.929 176.870 -0.273 0.000 1.086 551 L CA 0.995 55.736 54.840 -0.163 0.000 0.758 551 L CB -0.200 41.776 42.059 -0.138 0.000 0.912 551 L HN 0.117 nan 8.230 nan 0.000 0.446 552 I N -0.126 120.214 120.570 -0.383 0.000 2.236 552 I HA -0.373 3.796 4.170 -0.001 0.000 0.249 552 I C 2.685 178.477 176.117 -0.542 0.000 1.102 552 I CA 1.168 62.152 61.300 -0.526 0.000 1.365 552 I CB -0.301 37.159 38.000 -0.900 0.000 1.051 552 I HN 0.319 nan 8.210 nan 0.000 0.420 553 R N 1.724 121.870 120.500 -0.591 0.000 2.060 553 R HA -0.006 4.333 4.340 -0.001 0.000 0.225 553 R C 1.515 177.454 176.300 -0.601 0.000 1.155 553 R CA 1.498 57.232 56.100 -0.610 0.000 0.930 553 R CB -0.402 29.521 30.300 -0.628 0.000 0.829 553 R HN 0.132 nan 8.270 nan 0.000 0.433 554 R N 1.095 121.383 120.500 -0.354 0.000 4.054 554 R HA 0.071 4.411 4.340 -0.001 0.000 0.227 554 R C -0.248 175.914 176.300 -0.230 0.000 1.902 554 R CA 0.299 56.255 56.100 -0.238 0.000 1.590 554 R CB -0.174 30.079 30.300 -0.078 0.000 1.245 554 R HN 0.354 nan 8.270 nan 0.000 0.647 555 Q N 0.179 119.758 119.800 -0.368 0.000 3.966 555 Q HA 0.109 4.448 4.340 -0.001 0.000 0.198 555 Q C -1.261 174.599 176.000 -0.234 0.000 0.872 555 Q CA -0.272 55.399 55.803 -0.221 0.000 0.767 555 Q CB 0.913 29.543 28.738 -0.180 0.000 1.516 555 Q HN 0.370 nan 8.270 nan 0.000 0.434 556 H N 2.655 121.682 119.070 -0.072 0.000 3.232 556 H HA 0.137 4.693 4.556 -0.001 0.000 0.254 556 H C 0.766 176.061 175.328 -0.054 0.000 1.213 556 H CA 0.652 56.662 56.048 -0.064 0.000 1.503 556 H CB 0.327 30.062 29.762 -0.045 0.000 1.563 556 H HN 0.526 nan 8.280 nan 0.000 0.490 557 R N 1.651 122.157 120.500 0.010 0.000 2.435 557 R HA 0.152 4.492 4.340 -0.001 0.000 0.276 557 R C -0.281 176.006 176.300 -0.023 0.000 0.866 557 R CA -0.273 55.825 56.100 -0.004 0.000 1.085 557 R CB 0.490 30.778 30.300 -0.020 0.000 1.751 557 R HN 0.126 nan 8.270 nan 0.000 0.463 558 L N 3.049 124.246 121.223 -0.043 0.000 2.350 558 L HA 0.315 4.655 4.340 -0.001 0.000 0.275 558 L C 0.751 177.612 176.870 -0.015 0.000 1.099 558 L CA -0.682 54.130 54.840 -0.047 0.000 0.808 558 L CB 1.388 43.393 42.059 -0.090 0.000 1.149 558 L HN 0.110 nan 8.230 nan 0.000 0.442 559 S N 1.003 116.698 115.700 -0.008 0.000 2.563 559 S HA 0.045 4.514 4.470 -0.001 0.000 0.284 559 S C 0.709 175.319 174.600 0.017 0.000 1.331 559 S CA -0.495 57.709 58.200 0.006 0.000 1.047 559 S CB 0.518 63.721 63.200 0.005 0.000 0.859 559 S HN 0.625 nan 8.310 nan 0.000 0.514 560 K N 1.416 121.832 120.400 0.028 0.000 2.515 560 K HA -0.021 4.299 4.320 -0.001 0.000 0.196 560 K C 1.866 178.490 176.600 0.040 0.000 1.038 560 K CA 0.709 57.021 56.287 0.040 0.000 0.967 560 K CB -0.225 32.300 32.500 0.041 0.000 0.780 560 K HN 0.571 nan 8.250 nan 0.000 0.483 561 S N 0.209 115.927 115.700 0.031 0.000 2.387 561 S HA -0.069 4.401 4.470 -0.001 0.000 0.226 561 S C 1.844 176.470 174.600 0.043 0.000 1.026 561 S CA 1.167 59.387 58.200 0.033 0.000 0.972 561 S CB 0.099 63.313 63.200 0.023 0.000 0.814 561 S HN 0.264 nan 8.310 nan 0.000 0.477 562 S N 1.438 117.160 115.700 0.037 0.000 2.387 562 S HA 0.031 4.501 4.470 -0.001 0.000 0.221 562 S C 1.929 176.574 174.600 0.076 0.000 1.041 562 S CA 0.333 58.559 58.200 0.043 0.000 0.959 562 S CB -0.285 62.919 63.200 0.007 0.000 0.843 562 S HN 0.457 nan 8.310 nan 0.000 0.488 563 Q N 0.856 120.686 119.800 0.050 0.000 2.084 563 Q HA -0.014 4.325 4.340 -0.001 0.000 0.202 563 Q C 2.165 178.255 176.000 0.150 0.000 0.978 563 Q CA 0.898 56.746 55.803 0.074 0.000 0.844 563 Q CB -0.316 28.434 28.738 0.020 0.000 0.898 563 Q HN 0.323 nan 8.270 nan 0.000 0.426 564 L N 1.103 122.393 121.223 0.111 0.000 2.131 564 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 564 L C 1.945 178.882 176.870 0.112 0.000 1.092 564 L CA 1.871 56.775 54.840 0.108 0.000 0.759 564 L CB -0.503 41.601 42.059 0.075 0.000 0.903 564 L HN 0.388 nan 8.230 nan 0.000 0.435 565 Q N -1.680 118.190 119.800 0.118 0.000 2.319 565 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 565 Q C 1.731 177.824 176.000 0.155 0.000 0.896 565 Q CA -0.026 55.841 55.803 0.107 0.000 0.942 565 Q CB 0.043 28.831 28.738 0.082 0.000 1.083 565 Q HN 0.445 nan 8.270 nan 0.000 0.510 566 F N 2.083 122.063 119.950 0.051 0.000 2.147 566 F HA 0.037 4.563 4.527 -0.001 0.000 0.291 566 F C 1.672 177.565 175.800 0.156 0.000 1.093 566 F CA 1.557 59.594 58.000 0.062 0.000 1.263 566 F CB -0.333 38.661 39.000 -0.010 0.000 1.036 566 F HN 0.146 nan 8.300 nan 0.000 0.481 567 N N 1.305 119.956 118.700 -0.083 0.000 2.453 567 N HA -0.126 4.613 4.740 -0.001 0.000 0.183 567 N C 1.926 177.447 175.510 0.017 0.000 1.041 567 N CA 1.029 54.071 53.050 -0.014 0.000 0.900 567 N CB -0.603 38.062 38.487 0.297 0.000 0.961 567 N HN 0.428 nan 8.380 nan 0.000 0.443 568 A N 2.326 125.155 122.820 0.015 0.000 1.858 568 A HA -0.024 4.295 4.320 -0.001 0.000 0.216 568 A C 2.331 179.899 177.584 -0.027 0.000 1.190 568 A CA 0.873 52.913 52.037 0.005 0.000 0.617 568 A CB -0.804 18.212 19.000 0.027 0.000 0.827 568 A HN 0.198 nan 8.150 nan 0.000 0.443 569 L N -1.741 119.465 121.223 -0.029 0.000 2.465 569 L HA -0.095 4.244 4.340 -0.001 0.000 0.224 569 L C 2.339 179.171 176.870 -0.064 0.000 1.145 569 L CA 0.832 55.655 54.840 -0.028 0.000 0.834 569 L CB -0.382 41.693 42.059 0.026 0.000 0.944 569 L HN 0.633 nan 8.230 nan 0.000 0.451 570 Y N 0.669 120.782 120.300 -0.311 0.000 2.230 570 Y HA -0.060 4.489 4.550 -0.001 0.000 0.294 570 Y C 2.390 178.169 175.900 -0.201 0.000 1.120 570 Y CA 1.001 58.889 58.100 -0.354 0.000 1.129 570 Y CB -0.026 38.065 38.460 -0.615 0.000 1.040 570 Y HN -0.097 nan 8.280 nan 0.000 0.519 571 K N 0.233 120.443 120.400 -0.317 0.000 2.044 571 K HA -0.228 4.091 4.320 -0.001 0.000 0.210 571 K C 1.724 178.178 176.600 -0.243 0.000 1.049 571 K CA 1.856 57.944 56.287 -0.332 0.000 0.927 571 K CB -0.375 32.032 32.500 -0.155 0.000 0.713 571 K HN 0.283 nan 8.250 nan 0.000 0.443 572 D N 0.385 120.694 120.400 -0.152 0.000 2.157 572 D HA -0.175 4.465 4.640 -0.001 0.000 0.191 572 D C 1.816 178.040 176.300 -0.127 0.000 1.004 572 D CA 1.171 55.108 54.000 -0.106 0.000 0.854 572 D CB -0.184 40.578 40.800 -0.065 0.000 0.936 572 D HN -0.059 nan 8.370 nan 0.000 0.446 573 V N 1.031 120.855 119.914 -0.150 0.000 2.427 573 V HA -0.191 3.928 4.120 -0.001 0.000 0.248 573 V C 2.371 178.355 176.094 -0.183 0.000 1.051 573 V CA 0.902 63.123 62.300 -0.132 0.000 1.048 573 V CB -0.285 31.485 31.823 -0.087 0.000 0.666 573 V HN 0.238 nan 8.190 nan 0.000 0.456 574 I N -0.091 120.303 120.570 -0.292 0.000 2.202 574 I HA -0.199 3.971 4.170 -0.001 0.000 0.242 574 I C 2.605 178.578 176.117 -0.239 0.000 1.091 574 I CA 1.665 62.786 61.300 -0.298 0.000 1.368 574 I CB -1.155 36.595 38.000 -0.416 0.000 1.058 574 I HN 0.284 nan 8.210 nan 0.000 0.410 575 R N 1.171 121.548 120.500 -0.205 0.000 2.082 575 R HA -0.176 4.163 4.340 -0.001 0.000 0.234 575 R C 2.493 178.690 176.300 -0.173 0.000 1.136 575 R CA 2.005 58.004 56.100 -0.169 0.000 0.935 575 R CB -0.299 29.954 30.300 -0.079 0.000 0.842 575 R HN 0.358 nan 8.270 nan 0.000 0.430 576 A N 1.142 123.885 122.820 -0.128 0.000 1.927 576 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 576 A C 2.231 179.744 177.584 -0.119 0.000 1.185 576 A CA 1.544 53.520 52.037 -0.102 0.000 0.639 576 A CB -0.697 18.258 19.000 -0.076 0.000 0.820 576 A HN 0.365 nan 8.150 nan 0.000 0.451 577 L N -1.262 119.879 121.223 -0.137 0.000 2.083 577 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 577 L C 3.084 179.852 176.870 -0.171 0.000 1.083 577 L CA 1.111 55.872 54.840 -0.132 0.000 0.752 577 L CB -0.606 41.375 42.059 -0.130 0.000 0.899 577 L HN 0.488 nan 8.230 nan 0.000 0.433 578 A N -0.136 122.532 122.820 -0.254 0.000 1.872 578 A HA -0.143 4.177 4.320 -0.001 0.000 0.214 578 A C 2.268 179.659 177.584 -0.323 0.000 1.187 578 A CA 1.319 53.133 52.037 -0.372 0.000 0.614 578 A CB -0.300 18.301 19.000 -0.665 0.000 0.826 578 A HN 0.296 nan 8.150 nan 0.000 0.442 579 M N -1.257 118.186 119.600 -0.262 0.000 2.160 579 M HA 0.024 4.503 4.480 -0.001 0.000 0.264 579 M C 0.754 177.002 176.300 -0.087 0.000 1.073 579 M CA 0.978 56.189 55.300 -0.148 0.000 1.142 579 M CB -0.026 32.526 32.600 -0.079 0.000 1.358 579 M HN 0.397 nan 8.290 nan 0.000 0.422 580 N N 0.928 119.580 118.700 -0.080 0.000 2.716 580 N HA 0.076 4.816 4.740 -0.001 0.000 0.253 580 N C 0.004 175.479 175.510 -0.058 0.000 1.170 580 N CA 0.045 53.062 53.050 -0.055 0.000 0.807 580 N CB 1.114 39.579 38.487 -0.036 0.000 1.183 580 N HN 0.209 nan 8.380 nan 0.000 0.524 581 E N 0.737 120.900 120.200 -0.062 0.000 2.150 581 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 581 E C 1.649 178.228 176.600 -0.035 0.000 0.985 581 E CA 1.170 57.538 56.400 -0.054 0.000 0.814 581 E CB 0.312 29.980 29.700 -0.055 0.000 0.752 581 E HN 0.659 nan 8.360 nan 0.000 0.466 582 S N 0.008 115.692 115.700 -0.027 0.000 2.399 582 S HA -0.206 4.263 4.470 -0.001 0.000 0.231 582 S C 1.880 176.471 174.600 -0.015 0.000 1.022 582 S CA 1.040 59.230 58.200 -0.017 0.000 0.983 582 S CB -0.145 63.048 63.200 -0.012 0.000 0.803 582 S HN 0.267 nan 8.310 nan 0.000 0.480 583 Q N 0.269 120.058 119.800 -0.019 0.000 2.089 583 Q HA 0.155 4.495 4.340 -0.001 0.000 0.195 583 Q C 2.161 178.152 176.000 -0.016 0.000 0.963 583 Q CA 1.095 56.889 55.803 -0.016 0.000 0.834 583 Q CB -0.192 28.536 28.738 -0.017 0.000 0.906 583 Q HN 0.504 nan 8.270 nan 0.000 0.452 584 I N -0.115 120.441 120.570 -0.023 0.000 2.530 584 I HA -0.161 4.009 4.170 -0.001 0.000 0.257 584 I C 1.254 177.363 176.117 -0.015 0.000 1.179 584 I CA 1.350 62.637 61.300 -0.022 0.000 1.440 584 I CB -0.714 37.266 38.000 -0.033 0.000 1.087 584 I HN 0.289 nan 8.210 nan 0.000 0.440 611 T N -0.774 113.880 114.554 0.167 0.000 2.716 611 T HA 0.781 5.131 4.350 -0.001 0.000 0.286 611 T C -0.955 173.951 174.700 0.342 0.000 1.052 611 T CA -0.967 61.275 62.100 0.236 0.000 1.024 611 T CB 1.072 69.924 68.868 -0.026 0.000 1.349 611 T HN 0.241 nan 8.240 nan 0.000 0.525 612 I N 0.969 121.607 120.570 0.113 0.000 2.537 612 I HA 0.336 4.506 4.170 -0.001 0.000 0.276 612 I C -2.203 173.884 176.117 -0.050 0.000 1.063 612 I CA -2.403 58.957 61.300 0.099 0.000 1.144 612 I CB 1.316 39.380 38.000 0.106 0.000 1.252 612 I HN 0.399 nan 8.210 nan 0.000 0.480 613 P HA -0.304 nan 4.420 nan 0.000 0.234 613 P C 0.580 177.943 177.300 0.104 0.000 1.128 613 P CA 2.110 65.227 63.100 0.029 0.000 0.920 613 P CB -0.139 31.609 31.700 0.080 0.000 0.726 614 F N -6.282 113.820 119.950 0.254 0.000 2.498 614 F HA -0.216 4.311 4.527 -0.001 0.000 0.563 614 F C 0.567 176.541 175.800 0.289 0.000 0.514 614 F CA 0.602 58.768 58.000 0.276 0.000 1.189 614 F CB -1.651 37.469 39.000 0.199 0.000 1.924 614 F HN -0.046 nan 8.300 nan 0.000 0.261 615 L N 1.596 123.069 121.223 0.418 0.000 2.573 615 L HA 0.415 4.754 4.340 -0.001 0.000 0.260 615 L C -0.221 176.802 176.870 0.255 0.000 0.997 615 L CA -0.505 54.514 54.840 0.297 0.000 0.890 615 L CB 1.409 43.675 42.059 0.345 0.000 1.179 615 L HN 0.187 nan 8.230 nan 0.000 0.439 616 H N 2.452 121.576 119.070 0.090 0.000 2.907 616 H HA 0.733 5.289 4.556 -0.001 0.000 0.361 616 H C -1.354 173.990 175.328 0.027 0.000 1.194 616 H CA -1.074 54.959 56.048 -0.025 0.000 1.152 616 H CB 2.063 31.573 29.762 -0.421 0.000 1.867 616 H HN 0.290 nan 8.280 nan 0.000 0.561 617 L N 1.272 122.580 121.223 0.141 0.000 2.334 617 L HA 0.618 4.957 4.340 -0.001 0.000 0.272 617 L C 0.252 177.257 176.870 0.225 0.000 1.020 617 L CA -0.953 53.964 54.840 0.128 0.000 0.812 617 L CB 1.803 43.938 42.059 0.126 0.000 1.264 617 L HN 0.492 nan 8.230 nan 0.000 0.439 618 R N 0.897 121.538 120.500 0.236 0.000 2.902 618 R HA 0.675 5.014 4.340 -0.001 0.000 0.258 618 R C -0.997 175.530 176.300 0.377 0.000 1.071 618 R CA -0.968 55.292 56.100 0.267 0.000 1.024 618 R CB 2.497 32.858 30.300 0.101 0.000 1.184 618 R HN 0.457 nan 8.270 nan 0.000 0.492 619 K N 0.598 121.146 120.400 0.248 0.000 2.466 619 K HA 0.345 4.665 4.320 -0.001 0.000 0.260 619 K C -1.184 175.248 176.600 -0.280 0.000 1.011 619 K CA -0.780 55.553 56.287 0.076 0.000 0.871 619 K CB 2.014 34.537 32.500 0.039 0.000 1.404 619 K HN 0.284 nan 8.250 nan 0.000 0.450 620 K N 1.842 121.925 120.400 -0.528 0.000 2.276 620 K HA 0.062 4.382 4.320 -0.001 0.000 0.285 620 K C -0.659 175.723 176.600 -0.364 0.000 1.062 620 K CA -0.451 55.398 56.287 -0.731 0.000 0.918 620 K CB 0.938 32.941 32.500 -0.827 0.000 1.055 620 K HN 0.502 nan 8.250 nan 0.000 0.477 621 D N 2.450 122.667 120.400 -0.305 0.000 2.390 621 D HA -0.086 4.554 4.640 -0.001 0.000 0.236 621 D C 0.730 176.988 176.300 -0.070 0.000 1.189 621 D CA 0.570 54.487 54.000 -0.138 0.000 0.887 621 D CB 0.861 41.599 40.800 -0.103 0.000 1.198 621 D HN 0.507 nan 8.370 nan 0.000 0.444 622 E N 0.842 121.077 120.200 0.057 0.000 2.160 622 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 622 E C 0.609 177.207 176.600 -0.003 0.000 0.991 622 E CA 0.844 57.267 56.400 0.039 0.000 0.810 622 E CB -0.226 29.543 29.700 0.115 0.000 0.742 622 E HN 0.496 nan 8.360 nan 0.000 0.466 623 F N 0.861 120.729 119.950 -0.136 0.000 2.894 623 F HA 0.303 4.829 4.527 -0.001 0.000 0.310 623 F C 1.090 176.810 175.800 -0.133 0.000 1.204 623 F CA -0.593 57.340 58.000 -0.111 0.000 1.290 623 F CB 0.448 39.395 39.000 -0.089 0.000 1.317 623 F HN -0.090 nan 8.300 nan 0.000 0.545 624 G N 1.640 110.416 108.800 -0.042 0.000 2.332 624 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.277 624 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.277 624 G C -0.370 174.406 174.900 -0.206 0.000 0.884 624 G CA 0.033 45.041 45.100 -0.154 0.000 1.251 624 G HN 0.460 nan 8.290 nan 0.000 0.462 625 N N -0.824 117.698 118.700 -0.295 0.000 2.238 625 N HA 0.446 5.186 4.740 -0.001 0.000 0.302 625 N C -0.718 174.546 175.510 -0.410 0.000 1.072 625 N CA -0.753 52.148 53.050 -0.248 0.000 0.792 625 N CB 1.168 39.589 38.487 -0.109 0.000 1.425 625 N HN 0.313 nan 8.380 nan 0.000 0.478 626 W N 1.496 122.703 121.300 -0.156 0.000 2.228 626 W HA 0.311 4.970 4.660 -0.001 0.000 0.364 626 W C 0.234 176.611 176.519 -0.236 0.000 0.917 626 W CA -0.525 56.648 57.345 -0.287 0.000 1.513 626 W CB 0.282 29.362 29.460 -0.633 0.000 1.494 626 W HN 0.212 nan 8.180 nan 0.000 0.346 627 E N 1.609 121.810 120.200 0.002 0.000 2.231 627 E HA 0.086 4.435 4.350 -0.001 0.000 0.277 627 E C -0.412 176.257 176.600 0.114 0.000 0.999 627 E CA -1.363 55.050 56.400 0.021 0.000 0.827 627 E CB 1.177 30.859 29.700 -0.030 0.000 1.101 627 E HN 0.124 nan 8.360 nan 0.000 0.393 628 Y N 1.583 121.849 120.300 -0.056 0.000 2.987 628 Y HA -0.133 4.416 4.550 -0.001 0.000 0.339 628 Y C -0.502 175.396 175.900 -0.004 0.000 1.272 628 Y CA 0.118 58.189 58.100 -0.049 0.000 1.562 628 Y CB 0.278 38.610 38.460 -0.213 0.000 1.253 628 Y HN 0.256 nan 8.280 nan 0.000 0.604 629 S N 7.721 123.805 115.700 0.640 0.000 2.542 629 S HA 0.251 4.720 4.470 -0.001 0.000 0.245 629 S C 0.888 175.750 174.600 0.437 0.000 1.325 629 S CA -0.878 57.532 58.200 0.351 0.000 1.176 629 S CB 0.845 64.178 63.200 0.221 0.000 1.045 629 S HN 0.697 nan 8.310 nan 0.000 0.481 630 K N 2.086 122.674 120.400 0.312 0.000 2.160 630 K HA -0.207 4.113 4.320 -0.001 0.000 0.206 630 K C 2.045 178.792 176.600 0.244 0.000 1.047 630 K CA 1.205 57.711 56.287 0.364 0.000 0.930 630 K CB -0.031 32.528 32.500 0.098 0.000 0.720 630 K HN 0.462 nan 8.250 nan 0.000 0.450 631 K N 1.250 121.751 120.400 0.169 0.000 2.044 631 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 631 K C 2.054 178.745 176.600 0.152 0.000 1.049 631 K CA 1.311 57.678 56.287 0.133 0.000 0.927 631 K CB -0.048 32.513 32.500 0.101 0.000 0.713 631 K HN 0.049 nan 8.250 nan 0.000 0.443 632 L N -0.031 121.299 121.223 0.178 0.000 2.049 632 L HA -0.097 4.243 4.340 -0.001 0.000 0.203 632 L C 2.465 179.468 176.870 0.221 0.000 1.074 632 L CA 1.443 56.392 54.840 0.181 0.000 0.749 632 L CB -0.811 41.354 42.059 0.176 0.000 0.907 632 L HN 0.197 nan 8.230 nan 0.000 0.439 633 T N 0.185 114.894 114.554 0.258 0.000 2.760 633 T HA -0.204 4.145 4.350 -0.001 0.000 0.269 633 T C 1.795 176.629 174.700 0.222 0.000 1.047 633 T CA 1.359 63.622 62.100 0.272 0.000 1.139 633 T CB -0.758 68.259 68.868 0.249 0.000 0.855 633 T HN 0.601 nan 8.240 nan 0.000 0.471 634 G N 2.018 110.935 108.800 0.194 0.000 2.604 634 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.216 634 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.216 634 G C 1.451 176.420 174.900 0.116 0.000 1.265 634 G CA 0.914 46.095 45.100 0.135 0.000 0.804 634 G HN 0.549 nan 8.290 nan 0.000 0.579 635 I N -0.256 120.393 120.570 0.132 0.000 2.181 635 I HA -0.298 3.872 4.170 -0.001 0.000 0.247 635 I C 2.546 178.757 176.117 0.158 0.000 1.081 635 I CA 1.931 63.307 61.300 0.127 0.000 1.340 635 I CB -0.539 37.539 38.000 0.130 0.000 1.036 635 I HN 0.292 nan 8.210 nan 0.000 0.417 636 Y N 1.838 122.180 120.300 0.069 0.000 2.109 636 Y HA -0.133 4.416 4.550 -0.001 0.000 0.285 636 Y C 2.291 178.220 175.900 0.048 0.000 1.131 636 Y CA 1.329 59.463 58.100 0.057 0.000 1.121 636 Y CB -0.703 37.791 38.460 0.056 0.000 0.987 636 Y HN -0.036 nan 8.280 nan 0.000 0.495 637 L N 0.407 121.431 121.223 -0.332 0.000 2.353 637 L HA -0.197 4.142 4.340 -0.001 0.000 0.220 637 L C 1.818 178.573 176.870 -0.191 0.000 1.133 637 L CA 1.258 55.852 54.840 -0.411 0.000 0.798 637 L CB -0.464 41.492 42.059 -0.171 0.000 0.922 637 L HN 0.265 nan 8.230 nan 0.000 0.445 638 D N -0.447 119.907 120.400 -0.077 0.000 2.091 638 D HA -0.101 4.539 4.640 -0.001 0.000 0.199 638 D C 2.119 178.414 176.300 -0.009 0.000 0.980 638 D CA 1.461 55.451 54.000 -0.017 0.000 0.831 638 D CB -0.384 40.431 40.800 0.024 0.000 0.987 638 D HN 0.263 nan 8.370 nan 0.000 0.460 639 G N 0.905 109.708 108.800 0.005 0.000 2.422 639 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.218 639 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.218 639 G C 1.530 176.438 174.900 0.014 0.000 1.146 639 G CA 0.402 45.520 45.100 0.031 0.000 0.769 639 G HN 0.208 nan 8.290 nan 0.000 0.547 640 L N 0.495 121.659 121.223 -0.098 0.000 2.187 640 L HA 0.003 4.343 4.340 -0.001 0.000 0.213 640 L C 2.396 179.316 176.870 0.083 0.000 1.100 640 L CA 1.729 56.477 54.840 -0.154 0.000 0.765 640 L CB -0.338 41.405 42.059 -0.527 0.000 0.904 640 L HN 0.237 nan 8.230 nan 0.000 0.437 641 E N -0.503 119.725 120.200 0.046 0.000 2.014 641 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 641 E C 2.092 178.754 176.600 0.104 0.000 0.980 641 E CA 1.023 57.480 56.400 0.095 0.000 0.807 641 E CB -0.101 29.620 29.700 0.034 0.000 0.770 641 E HN 0.482 nan 8.360 nan 0.000 0.451 642 A N 1.468 124.325 122.820 0.062 0.000 2.032 642 A HA -0.202 4.117 4.320 -0.001 0.000 0.221 642 A C 2.304 179.922 177.584 0.057 0.000 1.165 642 A CA 2.095 54.160 52.037 0.047 0.000 0.645 642 A CB -0.584 18.435 19.000 0.032 0.000 0.807 642 A HN 0.351 nan 8.150 nan 0.000 0.453 643 A N -0.055 122.833 122.820 0.112 0.000 1.845 643 A HA 0.155 4.475 4.320 -0.001 0.000 0.215 643 A C 2.547 180.180 177.584 0.082 0.000 1.195 643 A CA 2.175 54.298 52.037 0.144 0.000 0.616 643 A CB -1.247 17.955 19.000 0.336 0.000 0.832 643 A HN 1.194 nan 8.150 nan 0.000 0.443 644 A N -0.893 122.036 122.820 0.182 0.000 2.024 644 A HA -0.142 4.178 4.320 -0.001 0.000 0.220 644 A C 2.248 179.817 177.584 -0.026 0.000 1.164 644 A CA 1.596 53.632 52.037 -0.002 0.000 0.643 644 A CB -0.393 18.704 19.000 0.162 0.000 0.806 644 A HN 0.552 nan 8.150 nan 0.000 0.451 645 R N -0.473 120.036 120.500 0.016 0.000 2.060 645 R HA -0.046 4.294 4.340 -0.001 0.000 0.218 645 R C 2.740 179.023 176.300 -0.028 0.000 1.200 645 R CA 1.555 57.655 56.100 -0.001 0.000 0.935 645 R CB -0.539 29.769 30.300 0.013 0.000 0.814 645 R HN 0.633 nan 8.270 nan 0.000 0.460 646 S N -0.451 115.237 115.700 -0.021 0.000 2.470 646 S HA 0.132 4.601 4.470 -0.001 0.000 0.225 646 S C 0.797 175.365 174.600 -0.053 0.000 1.006 646 S CA 0.469 58.651 58.200 -0.030 0.000 0.934 646 S CB 0.271 63.461 63.200 -0.017 0.000 0.778 646 S HN 0.705 nan 8.310 nan 0.000 0.517 647 G N 0.345 109.104 108.800 -0.069 0.000 2.629 647 G HA2 0.168 4.127 3.960 -0.001 0.000 0.686 647 G HA3 0.168 4.127 3.960 -0.001 0.000 0.686 647 G C -1.374 173.478 174.900 -0.080 0.000 1.232 647 G CA -0.414 44.620 45.100 -0.110 0.000 0.803 647 G HN 0.932 nan 8.290 nan 0.000 0.638 648 L N 0.794 121.960 121.223 -0.095 0.000 2.341 648 L HA 0.905 5.245 4.340 -0.001 0.000 0.278 648 L C 0.477 177.217 176.870 -0.217 0.000 1.005 648 L CA -0.075 54.688 54.840 -0.128 0.000 0.818 648 L CB 2.095 44.108 42.059 -0.075 0.000 1.259 648 L HN 1.074 nan 8.230 nan 0.000 0.418 649 T N 3.316 117.694 114.554 -0.293 0.000 2.925 649 T HA 0.546 4.895 4.350 -0.001 0.000 0.285 649 T C -0.071 174.348 174.700 -0.468 0.000 1.021 649 T CA -0.069 61.879 62.100 -0.253 0.000 1.042 649 T CB 0.592 69.403 68.868 -0.095 0.000 1.037 649 T HN 0.430 nan 8.240 nan 0.000 0.481 650 F N 0.833 120.800 119.950 0.028 0.000 2.772 650 F HA 0.404 4.930 4.527 -0.001 0.000 0.316 650 F C 1.109 176.897 175.800 -0.019 0.000 1.114 650 F CA -0.612 57.385 58.000 -0.005 0.000 1.191 650 F CB 0.237 39.185 39.000 -0.085 0.000 1.065 650 F HN 0.516 nan 8.300 nan 0.000 0.534 651 Q N 0.832 120.698 119.800 0.111 0.000 2.368 651 Q HA 0.186 4.526 4.340 -0.001 0.000 0.331 651 Q C 1.436 177.444 176.000 0.014 0.000 1.086 651 Q CA 1.558 57.394 55.803 0.054 0.000 1.031 651 Q CB 0.251 29.009 28.738 0.033 0.000 1.125 651 Q HN 0.708 nan 8.270 nan 0.000 0.389 652 G N 3.185 111.959 108.800 -0.043 0.000 2.184 652 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.264 652 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.264 652 G C -0.161 174.557 174.900 -0.304 0.000 0.975 652 G CA 0.476 45.494 45.100 -0.137 0.000 0.642 652 G HN 0.552 nan 8.290 nan 0.000 0.536 653 K N 0.450 120.728 120.400 -0.203 0.000 2.110 653 K HA 0.589 4.908 4.320 -0.001 0.000 0.263 653 K C -0.409 175.985 176.600 -0.344 0.000 0.975 653 K CA -0.835 55.320 56.287 -0.220 0.000 0.895 653 K CB 0.724 33.321 32.500 0.160 0.000 1.060 653 K HN 0.305 nan 8.250 nan 0.000 0.448 654 H N 0.155 119.143 119.070 -0.136 0.000 2.469 654 H HA 0.587 5.143 4.556 -0.001 0.000 0.342 654 H C -0.867 174.411 175.328 -0.084 0.000 1.115 654 H CA -0.853 55.003 56.048 -0.321 0.000 1.204 654 H CB 1.950 31.423 29.762 -0.481 0.000 1.492 654 H HN 0.695 nan 8.280 nan 0.000 0.499 655 A N 2.846 125.683 122.820 0.029 0.000 2.486 655 A HA 0.462 4.781 4.320 -0.001 0.000 0.300 655 A C -1.319 176.332 177.584 0.113 0.000 1.048 655 A CA -0.673 51.422 52.037 0.096 0.000 0.696 655 A CB 1.808 20.801 19.000 -0.012 0.000 1.278 655 A HN 0.494 nan 8.150 nan 0.000 0.405 656 L N 1.981 123.275 121.223 0.118 0.000 2.322 656 L HA 0.864 5.204 4.340 -0.001 0.000 0.279 656 L C -0.534 176.357 176.870 0.034 0.000 1.036 656 L CA -0.149 54.738 54.840 0.078 0.000 0.807 656 L CB 0.885 42.975 42.059 0.053 0.000 1.226 656 L HN 0.700 nan 8.230 nan 0.000 0.433 657 M N 4.893 124.497 119.600 0.007 0.000 2.124 657 M HA 0.293 4.773 4.480 -0.001 0.000 0.280 657 M C -0.809 175.498 176.300 0.012 0.000 0.954 657 M CA -0.492 54.811 55.300 0.005 0.000 0.958 657 M CB 1.968 34.558 32.600 -0.018 0.000 1.611 657 M HN 0.787 nan 8.290 nan 0.000 0.449 658 T N -0.969 113.612 114.554 0.046 0.000 2.794 658 T HA 0.736 5.086 4.350 -0.001 0.000 0.280 658 T C 0.849 175.640 174.700 0.151 0.000 0.987 658 T CA 0.379 62.526 62.100 0.080 0.000 0.993 658 T CB 1.596 70.513 68.868 0.081 0.000 0.939 658 T HN 1.003 nan 8.240 nan 0.000 0.449 659 G N 1.816 110.704 108.800 0.147 0.000 2.148 659 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.203 659 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.203 659 G C 0.553 175.520 174.900 0.111 0.000 0.993 659 G CA -0.269 44.925 45.100 0.156 0.000 0.661 659 G HN 1.534 nan 8.290 nan 0.000 0.518 660 A N 0.703 123.585 122.820 0.103 0.000 2.543 660 A HA 0.651 4.971 4.320 -0.001 0.000 0.258 660 A C 1.568 179.232 177.584 0.133 0.000 1.391 660 A CA 1.209 53.299 52.037 0.088 0.000 1.066 660 A CB -0.611 18.465 19.000 0.126 0.000 0.972 660 A HN 1.766 nan 8.150 nan 0.000 0.560 661 G N -0.499 108.350 108.800 0.082 0.000 2.690 661 G HA2 0.422 4.381 3.960 -0.001 0.000 0.239 661 G HA3 0.422 4.381 3.960 -0.001 0.000 0.239 661 G C 0.541 175.361 174.900 -0.133 0.000 1.233 661 G CA 0.089 45.197 45.100 0.012 0.000 0.847 661 G HN 1.048 nan 8.290 nan 0.000 0.588 662 A N -0.488 122.095 122.820 -0.395 0.000 2.511 662 A HA 0.550 4.869 4.320 -0.001 0.000 0.242 662 A C 1.516 178.949 177.584 -0.252 0.000 1.069 662 A CA 0.992 52.629 52.037 -0.666 0.000 0.763 662 A CB -0.343 17.950 19.000 -1.178 0.000 1.001 662 A HN 2.661 nan 8.150 nan 0.000 0.498 663 G N 1.276 110.012 108.800 -0.106 0.000 2.298 663 G HA2 0.072 4.031 3.960 -0.001 0.000 0.287 663 G HA3 0.072 4.031 3.960 -0.001 0.000 0.287 663 G C 0.205 175.092 174.900 -0.022 0.000 1.075 663 G CA 0.907 45.985 45.100 -0.037 0.000 0.960 663 G HN 2.360 nan 8.290 nan 0.000 0.502 664 S N -1.674 114.017 115.700 -0.015 0.000 2.627 664 S HA 0.739 5.209 4.470 -0.001 0.000 0.283 664 S C 1.337 175.930 174.600 -0.012 0.000 1.127 664 S CA -0.423 57.774 58.200 -0.004 0.000 0.863 664 S CB 1.593 64.790 63.200 -0.005 0.000 1.121 664 S HN 0.347 nan 8.310 nan 0.000 0.479 665 I N 1.271 121.842 120.570 0.002 0.000 2.151 665 I HA -0.109 4.061 4.170 -0.001 0.000 0.243 665 I C 2.712 178.723 176.117 -0.176 0.000 1.080 665 I CA 1.884 63.163 61.300 -0.033 0.000 1.339 665 I CB -1.076 36.951 38.000 0.046 0.000 1.039 665 I HN 0.920 nan 8.210 nan 0.000 0.409 666 G N 0.557 109.205 108.800 -0.252 0.000 2.440 666 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 666 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 666 G C 1.886 176.676 174.900 -0.183 0.000 1.154 666 G CA 0.918 45.807 45.100 -0.352 0.000 0.767 666 G HN 0.512 nan 8.290 nan 0.000 0.552 667 A N 0.744 123.510 122.820 -0.090 0.000 1.883 667 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 667 A C 2.271 179.804 177.584 -0.084 0.000 1.186 667 A CA 2.054 54.063 52.037 -0.047 0.000 0.624 667 A CB -0.363 18.646 19.000 0.015 0.000 0.822 667 A HN 0.316 nan 8.150 nan 0.000 0.444 668 E N -0.186 119.964 120.200 -0.084 0.000 2.031 668 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 668 E C 2.245 178.751 176.600 -0.158 0.000 0.994 668 E CA 1.360 57.706 56.400 -0.091 0.000 0.800 668 E CB -0.844 28.833 29.700 -0.038 0.000 0.752 668 E HN 0.361 nan 8.360 nan 0.000 0.447 669 V N 2.080 121.881 119.914 -0.187 0.000 2.380 669 V HA -0.276 3.843 4.120 -0.001 0.000 0.251 669 V C 2.547 178.473 176.094 -0.280 0.000 1.063 669 V CA 1.707 63.856 62.300 -0.252 0.000 1.055 669 V CB -0.684 30.961 31.823 -0.297 0.000 0.657 669 V HN 0.163 nan 8.190 nan 0.000 0.455 670 L N 0.505 121.598 121.223 -0.215 0.000 1.955 670 L HA -0.261 4.078 4.340 -0.001 0.000 0.213 670 L C 2.618 179.385 176.870 -0.172 0.000 1.072 670 L CA 2.168 56.906 54.840 -0.170 0.000 0.755 670 L CB -0.851 41.162 42.059 -0.076 0.000 0.888 670 L HN 0.397 nan 8.230 nan 0.000 0.432 671 Q N -0.324 119.382 119.800 -0.156 0.000 2.217 671 Q HA -0.198 4.141 4.340 -0.001 0.000 0.209 671 Q C 2.076 177.968 176.000 -0.179 0.000 0.988 671 Q CA 1.393 57.112 55.803 -0.141 0.000 0.878 671 Q CB -0.854 27.803 28.738 -0.135 0.000 0.909 671 Q HN 0.763 nan 8.270 nan 0.000 0.424 672 G N 1.699 110.307 108.800 -0.320 0.000 2.511 672 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.216 672 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.216 672 G C 1.341 176.115 174.900 -0.211 0.000 1.218 672 G CA 1.038 45.830 45.100 -0.514 0.000 0.788 672 G HN 0.203 nan 8.290 nan 0.000 0.560 673 L N 0.378 121.385 121.223 -0.362 0.000 2.127 673 L HA 0.007 4.347 4.340 -0.001 0.000 0.211 673 L C 2.799 179.602 176.870 -0.111 0.000 1.089 673 L CA 0.661 55.239 54.840 -0.437 0.000 0.757 673 L CB -0.410 41.237 42.059 -0.687 0.000 0.899 673 L HN 0.160 nan 8.230 nan 0.000 0.434 674 L N -1.571 119.607 121.223 -0.075 0.000 2.141 674 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 674 L C 2.556 179.446 176.870 0.034 0.000 1.094 674 L CA 0.868 55.718 54.840 0.016 0.000 0.763 674 L CB -0.416 41.663 42.059 0.033 0.000 0.908 674 L HN 0.206 nan 8.230 nan 0.000 0.437 675 S N -0.354 115.372 115.700 0.043 0.000 2.406 675 S HA -0.001 4.469 4.470 -0.001 0.000 0.228 675 S C 1.210 175.888 174.600 0.129 0.000 1.020 675 S CA 0.629 58.877 58.200 0.080 0.000 0.965 675 S CB -0.275 63.000 63.200 0.124 0.000 0.798 675 S HN 0.527 nan 8.310 nan 0.000 0.488 676 G N -0.029 108.900 108.800 0.214 0.000 2.611 676 G HA2 0.407 4.366 3.960 -0.001 0.000 0.273 676 G HA3 0.407 4.366 3.960 -0.001 0.000 0.273 676 G C 0.788 175.777 174.900 0.149 0.000 1.305 676 G CA -0.107 45.128 45.100 0.227 0.000 1.010 676 G HN 0.358 nan 8.290 nan 0.000 0.509 677 G N -0.839 108.036 108.800 0.126 0.000 3.234 677 G HA2 0.417 4.377 3.960 -0.001 0.000 0.221 677 G HA3 0.417 4.377 3.960 -0.001 0.000 0.221 677 G C 0.702 175.637 174.900 0.059 0.000 1.229 677 G CA 0.739 45.888 45.100 0.083 0.000 0.909 677 G HN 0.885 nan 8.290 nan 0.000 0.510 678 A N 0.375 123.230 122.820 0.058 0.000 2.425 678 A HA 0.563 4.882 4.320 -0.001 0.000 0.249 678 A C 0.291 177.852 177.584 -0.039 0.000 1.084 678 A CA -0.182 51.836 52.037 -0.032 0.000 0.781 678 A CB 0.522 19.440 19.000 -0.136 0.000 1.019 678 A HN 0.301 nan 8.150 nan 0.000 0.490 679 K N 1.328 121.654 120.400 -0.124 0.000 2.263 679 K HA 0.503 4.822 4.320 -0.001 0.000 0.272 679 K C -0.635 175.821 176.600 -0.240 0.000 1.033 679 K CA -0.388 55.781 56.287 -0.197 0.000 0.884 679 K CB 1.449 33.673 32.500 -0.460 0.000 1.107 679 K HN 0.587 nan 8.250 nan 0.000 0.460 680 V N 0.919 120.828 119.914 -0.009 0.000 2.960 680 V HA 0.598 4.718 4.120 -0.001 0.000 0.315 680 V C -0.397 175.881 176.094 0.305 0.000 1.087 680 V CA -1.149 61.205 62.300 0.090 0.000 0.982 680 V CB 1.896 33.730 31.823 0.019 0.000 1.039 680 V HN 0.747 nan 8.190 nan 0.000 0.437 681 I N 2.725 123.477 120.570 0.304 0.000 2.382 681 I HA 0.665 4.834 4.170 -0.001 0.000 0.286 681 I C -1.128 175.016 176.117 0.045 0.000 1.002 681 I CA -0.627 60.777 61.300 0.173 0.000 1.135 681 I CB 1.440 39.514 38.000 0.123 0.000 1.288 681 I HN 0.564 nan 8.210 nan 0.000 0.448 682 V N 5.734 125.641 119.914 -0.011 0.000 2.435 682 V HA 0.449 4.568 4.120 -0.001 0.000 0.290 682 V C 0.358 176.397 176.094 -0.092 0.000 1.030 682 V CA -0.499 61.780 62.300 -0.035 0.000 0.881 682 V CB 1.730 33.549 31.823 -0.006 0.000 0.983 682 V HN 0.803 nan 8.190 nan 0.000 0.445 683 T N 0.728 115.254 114.554 -0.046 0.000 2.795 683 T HA 0.598 4.948 4.350 -0.001 0.000 0.282 683 T C -0.296 174.453 174.700 0.082 0.000 0.980 683 T CA -0.493 61.618 62.100 0.018 0.000 1.012 683 T CB 1.515 70.365 68.868 -0.030 0.000 0.936 683 T HN 0.636 nan 8.240 nan 0.000 0.457 684 T N 1.136 115.750 114.554 0.101 0.000 2.876 684 T HA 0.510 4.859 4.350 -0.001 0.000 0.289 684 T C 1.001 175.795 174.700 0.156 0.000 1.014 684 T CA -0.365 61.791 62.100 0.093 0.000 0.986 684 T CB 1.438 70.284 68.868 -0.037 0.000 1.021 684 T HN 0.836 nan 8.240 nan 0.000 0.458 685 S N 3.367 119.135 115.700 0.114 0.000 2.540 685 S HA 0.275 4.744 4.470 -0.001 0.000 0.218 685 S C 0.476 175.117 174.600 0.069 0.000 0.977 685 S CA -0.510 57.739 58.200 0.081 0.000 0.918 685 S CB 0.022 63.246 63.200 0.040 0.000 0.806 685 S HN 0.664 nan 8.310 nan 0.000 0.496 686 R N 0.871 121.418 120.500 0.079 0.000 2.494 686 R HA 0.343 4.682 4.340 -0.001 0.000 0.284 686 R C -1.597 174.765 176.300 0.102 0.000 1.525 686 R CA -0.360 55.783 56.100 0.072 0.000 1.460 686 R CB 0.285 30.604 30.300 0.031 0.000 1.134 686 R HN 0.355 nan 8.270 nan 0.000 0.592 687 F N 3.180 123.124 119.950 -0.010 0.000 2.515 687 F HA 0.188 4.715 4.527 -0.000 0.000 0.353 687 F C -0.023 175.772 175.800 -0.009 0.000 1.213 687 F CA -0.240 57.749 58.000 -0.017 0.000 1.194 687 F CB 0.354 39.331 39.000 -0.040 0.000 1.488 687 F HN 0.328 nan 8.300 nan 0.000 0.619 688 S N 4.099 119.856 115.700 0.095 0.000 2.689 688 S HA 0.426 4.896 4.470 -0.001 0.000 0.306 688 S C 1.066 175.682 174.600 0.027 0.000 1.104 688 S CA -1.106 57.154 58.200 0.101 0.000 0.973 688 S CB 1.921 65.157 63.200 0.060 0.000 1.121 688 S HN 0.696 nan 8.310 nan 0.000 0.523 689 R N 0.380 120.912 120.500 0.053 0.000 2.105 689 R HA -0.162 4.177 4.340 -0.001 0.000 0.239 689 R C 2.197 178.506 176.300 0.015 0.000 1.135 689 R CA 1.720 57.837 56.100 0.029 0.000 0.967 689 R CB -0.479 29.842 30.300 0.035 0.000 0.861 689 R HN 0.883 nan 8.270 nan 0.000 0.442 690 Q N 0.202 120.015 119.800 0.021 0.000 2.096 690 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 690 Q C 1.878 177.906 176.000 0.047 0.000 0.982 690 Q CA 2.009 57.827 55.803 0.025 0.000 0.850 690 Q CB 0.101 28.849 28.738 0.016 0.000 0.901 690 Q HN 0.285 nan 8.270 nan 0.000 0.422 691 V N 0.151 120.082 119.914 0.027 0.000 2.535 691 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 691 V C 2.241 178.423 176.094 0.146 0.000 1.045 691 V CA 1.776 64.132 62.300 0.093 0.000 1.058 691 V CB -0.504 31.324 31.823 0.009 0.000 0.689 691 V HN 0.431 nan 8.190 nan 0.000 0.461 692 T N -0.091 114.428 114.554 -0.059 0.000 2.635 692 T HA -0.253 4.096 4.350 -0.001 0.000 0.267 692 T C 1.795 176.563 174.700 0.113 0.000 1.040 692 T CA 1.992 64.068 62.100 -0.039 0.000 1.156 692 T CB -0.222 68.611 68.868 -0.058 0.000 0.863 692 T HN 0.567 nan 8.240 nan 0.000 0.430 693 E N -0.131 120.102 120.200 0.055 0.000 2.012 693 E HA -0.182 4.167 4.350 -0.001 0.000 0.197 693 E C 1.974 178.587 176.600 0.022 0.000 1.007 693 E CA 1.524 57.920 56.400 -0.006 0.000 0.816 693 E CB -0.437 29.250 29.700 -0.023 0.000 0.762 693 E HN 0.606 nan 8.360 nan 0.000 0.451 694 Y N 0.716 120.998 120.300 -0.030 0.000 2.096 694 Y HA -0.375 4.174 4.550 -0.001 0.000 0.276 694 Y C 2.060 177.897 175.900 -0.105 0.000 1.209 694 Y CA 2.113 60.160 58.100 -0.088 0.000 1.137 694 Y CB -0.655 37.741 38.460 -0.106 0.000 0.956 694 Y HN 0.108 nan 8.280 nan 0.000 0.506 695 Y N 0.228 120.503 120.300 -0.043 0.000 2.220 695 Y HA -0.220 4.329 4.550 -0.000 0.000 0.291 695 Y C 2.748 178.610 175.900 -0.063 0.000 1.129 695 Y CA 1.583 59.644 58.100 -0.066 0.000 1.161 695 Y CB -0.863 37.687 38.460 0.149 0.000 0.997 695 Y HN 0.415 nan 8.280 nan 0.000 0.522 696 Q N 0.085 119.884 119.800 -0.001 0.000 2.124 696 Q HA -0.066 4.274 4.340 -0.001 0.000 0.202 696 Q C 2.335 178.094 176.000 -0.401 0.000 0.977 696 Q CA 1.893 57.411 55.803 -0.474 0.000 0.850 696 Q CB -1.139 27.065 28.738 -0.890 0.000 0.901 696 Q HN 0.314 nan 8.270 nan 0.000 0.429 697 G N 1.554 110.139 108.800 -0.357 0.000 2.480 697 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.216 697 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.216 697 G C 1.517 176.192 174.900 -0.375 0.000 1.200 697 G CA 1.164 46.033 45.100 -0.386 0.000 0.782 697 G HN 0.392 nan 8.290 nan 0.000 0.554 698 I N -0.623 119.705 120.570 -0.404 0.000 2.185 698 I HA -0.258 3.911 4.170 -0.001 0.000 0.246 698 I C 2.493 178.503 176.117 -0.179 0.000 1.088 698 I CA 1.623 62.721 61.300 -0.337 0.000 1.347 698 I CB -0.227 37.520 38.000 -0.421 0.000 1.041 698 I HN 0.294 nan 8.210 nan 0.000 0.415 699 Y N 1.242 121.416 120.300 -0.210 0.000 2.373 699 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 699 Y C 2.390 178.180 175.900 -0.184 0.000 1.129 699 Y CA 0.927 58.963 58.100 -0.107 0.000 1.226 699 Y CB -0.151 38.334 38.460 0.042 0.000 1.000 699 Y HN 0.107 nan 8.280 nan 0.000 0.549 700 A N 0.199 122.762 122.820 -0.428 0.000 2.067 700 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 700 A C 2.048 179.412 177.584 -0.366 0.000 1.158 700 A CA 1.292 52.906 52.037 -0.707 0.000 0.661 700 A CB -0.216 18.186 19.000 -0.996 0.000 0.801 700 A HN 0.357 nan 8.150 nan 0.000 0.452 701 R N -1.899 118.419 120.500 -0.303 0.000 2.250 701 R HA 0.164 4.504 4.340 -0.001 0.000 0.194 701 R C 1.089 177.285 176.300 -0.172 0.000 0.927 701 R CA 0.944 56.921 56.100 -0.205 0.000 1.052 701 R CB -0.666 29.517 30.300 -0.195 0.000 1.055 701 R HN 0.517 nan 8.270 nan 0.000 0.537 702 C N 0.112 119.286 119.300 -0.210 0.000 3.336 702 C HA 0.352 4.811 4.460 -0.001 0.000 0.291 702 C C 1.223 176.090 174.990 -0.204 0.000 1.363 702 C CA -0.785 58.139 59.018 -0.157 0.000 1.737 702 C CB -0.027 27.645 27.740 -0.114 0.000 2.274 702 C HN 0.364 nan 8.230 nan 0.000 0.663 703 G N 1.763 110.299 108.800 -0.440 0.000 2.605 703 G HA2 0.478 4.437 3.960 -0.001 0.000 0.301 703 G HA3 0.478 4.437 3.960 -0.001 0.000 0.301 703 G C 0.402 175.148 174.900 -0.258 0.000 0.881 703 G CA 0.410 45.123 45.100 -0.646 0.000 1.553 703 G HN 0.601 nan 8.290 nan 0.000 0.483 704 A N 3.642 126.413 122.820 -0.081 0.000 2.386 704 A HA 0.561 4.880 4.320 -0.001 0.000 0.248 704 A C 1.068 178.681 177.584 0.049 0.000 1.082 704 A CA -0.659 51.378 52.037 0.000 0.000 0.789 704 A CB 0.291 19.311 19.000 0.034 0.000 1.025 704 A HN 0.920 nan 8.150 nan 0.000 0.490 705 R N 0.776 121.318 120.500 0.070 0.000 2.638 705 R HA 0.366 4.706 4.340 -0.001 0.000 0.268 705 R C 1.031 177.393 176.300 0.105 0.000 1.006 705 R CA 0.365 56.528 56.100 0.105 0.000 1.088 705 R CB -0.209 30.150 30.300 0.098 0.000 0.950 705 R HN 1.890 nan 8.270 nan 0.000 0.419 706 G N 1.140 110.016 108.800 0.126 0.000 2.299 706 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.237 706 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.237 706 G C 0.218 175.192 174.900 0.122 0.000 1.027 706 G CA 0.233 45.396 45.100 0.106 0.000 0.619 706 G HN 1.045 nan 8.290 nan 0.000 0.513 707 S N -0.301 115.497 115.700 0.164 0.000 2.614 707 S HA 0.666 5.135 4.470 -0.001 0.000 0.265 707 S C -0.205 174.581 174.600 0.311 0.000 1.303 707 S CA 0.830 59.156 58.200 0.210 0.000 1.000 707 S CB 2.013 65.353 63.200 0.233 0.000 0.935 707 S HN 1.149 nan 8.310 nan 0.000 0.551 708 Q N 0.658 120.607 119.800 0.248 0.000 2.320 708 Q HA 0.518 4.858 4.340 -0.001 0.000 0.272 708 Q C -2.179 173.860 176.000 0.065 0.000 1.023 708 Q CA -0.623 55.254 55.803 0.124 0.000 0.855 708 Q CB 1.608 30.439 28.738 0.156 0.000 1.367 708 Q HN 0.836 nan 8.270 nan 0.000 0.406 709 L N 4.535 125.657 121.223 -0.168 0.000 2.349 709 L HA 0.643 4.982 4.340 -0.001 0.000 0.278 709 L C -1.491 175.263 176.870 -0.193 0.000 0.996 709 L CA -0.804 53.985 54.840 -0.086 0.000 0.825 709 L CB 1.828 43.864 42.059 -0.038 0.000 1.243 709 L HN 0.534 nan 8.230 nan 0.000 0.412 710 V N 5.894 125.756 119.914 -0.087 0.000 2.326 710 V HA 0.350 4.470 4.120 -0.001 0.000 0.281 710 V C 0.080 176.056 176.094 -0.197 0.000 1.015 710 V CA -0.535 61.657 62.300 -0.180 0.000 0.823 710 V CB 1.873 33.634 31.823 -0.103 0.000 1.009 710 V HN 0.454 nan 8.190 nan 0.000 0.436 711 V N 5.613 125.323 119.914 -0.342 0.000 2.617 711 V HA 0.679 4.798 4.120 -0.001 0.000 0.298 711 V C -0.070 175.954 176.094 -0.117 0.000 1.048 711 V CA -0.419 61.685 62.300 -0.326 0.000 0.964 711 V CB 2.015 33.496 31.823 -0.570 0.000 1.004 711 V HN 0.559 nan 8.190 nan 0.000 0.466 712 V N 4.561 124.478 119.914 0.006 0.000 3.048 712 V HA 0.470 4.590 4.120 -0.001 0.000 0.303 712 V C -2.691 173.602 176.094 0.332 0.000 1.214 712 V CA -1.656 60.756 62.300 0.186 0.000 0.984 712 V CB 3.195 35.115 31.823 0.162 0.000 1.054 712 V HN 0.773 nan 8.190 nan 0.000 0.430 713 P HA 0.551 nan 4.420 nan 0.000 0.285 713 P C -1.393 176.119 177.300 0.354 0.000 1.259 713 P CA -0.143 63.147 63.100 0.317 0.000 0.794 713 P CB 0.717 32.369 31.700 -0.079 0.000 0.940 714 F N 2.104 122.127 119.950 0.122 0.000 2.693 714 F HA 0.531 5.057 4.527 -0.002 0.000 0.309 714 F C -1.715 174.109 175.800 0.039 0.000 1.129 714 F CA -0.692 57.366 58.000 0.096 0.000 0.948 714 F CB 2.074 41.116 39.000 0.071 0.000 1.315 714 F HN 0.285 nan 8.300 nan 0.000 0.447 715 N N 2.938 121.037 118.700 -1.001 0.000 2.653 715 N HA 0.147 4.887 4.740 -0.001 0.000 0.261 715 N C -0.432 174.528 175.510 -0.916 0.000 1.216 715 N CA -0.191 52.461 53.050 -0.662 0.000 0.784 715 N CB 1.262 39.526 38.487 -0.372 0.000 1.327 715 N HN 0.786 nan 8.380 nan 0.000 0.539 716 Q N 1.638 121.043 119.800 -0.658 0.000 2.541 716 Q HA -0.003 4.337 4.340 -0.001 0.000 0.215 716 Q C 1.507 177.369 176.000 -0.230 0.000 0.977 716 Q CA 1.062 56.663 55.803 -0.338 0.000 0.934 716 Q CB 0.109 28.919 28.738 0.120 0.000 0.988 716 Q HN 0.770 nan 8.270 nan 0.000 0.521 717 G N -0.321 108.319 108.800 -0.267 0.000 2.679 717 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.212 717 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.212 717 G C 0.316 175.060 174.900 -0.260 0.000 1.137 717 G CA 0.287 45.241 45.100 -0.244 0.000 0.787 717 G HN 0.230 nan 8.290 nan 0.000 0.534 718 S N -0.416 115.113 115.700 -0.285 0.000 2.456 718 S HA 0.339 4.808 4.470 -0.001 0.000 0.316 718 S C 1.209 175.705 174.600 -0.174 0.000 1.089 718 S CA -0.600 57.459 58.200 -0.236 0.000 1.101 718 S CB 1.632 64.681 63.200 -0.251 0.000 0.995 718 S HN 0.275 nan 8.310 nan 0.000 0.468 719 K N 3.829 124.156 120.400 -0.123 0.000 2.063 719 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 719 K C 1.701 178.259 176.600 -0.070 0.000 1.048 719 K CA 1.804 58.042 56.287 -0.081 0.000 0.928 719 K CB -0.198 32.264 32.500 -0.064 0.000 0.713 719 K HN 0.798 nan 8.250 nan 0.000 0.442 720 Q N 0.421 120.173 119.800 -0.079 0.000 2.020 720 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 720 Q C 1.926 177.902 176.000 -0.039 0.000 0.982 720 Q CA 1.739 57.508 55.803 -0.056 0.000 0.838 720 Q CB -0.149 28.553 28.738 -0.059 0.000 0.899 720 Q HN 0.348 nan 8.270 nan 0.000 0.423 721 D N 0.066 120.424 120.400 -0.070 0.000 2.126 721 D HA -0.172 4.468 4.640 -0.001 0.000 0.190 721 D C 1.927 178.288 176.300 0.102 0.000 1.001 721 D CA 1.089 55.061 54.000 -0.045 0.000 0.841 721 D CB -0.306 40.301 40.800 -0.321 0.000 0.949 721 D HN 0.011 nan 8.370 nan 0.000 0.446 722 V N 1.068 121.040 119.914 0.097 0.000 2.231 722 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 722 V C 2.122 178.235 176.094 0.032 0.000 1.054 722 V CA 2.040 64.458 62.300 0.197 0.000 1.015 722 V CB -0.479 31.401 31.823 0.095 0.000 0.638 722 V HN 0.301 nan 8.190 nan 0.000 0.444 723 E N -0.184 120.005 120.200 -0.019 0.000 2.409 723 E HA -0.067 4.282 4.350 -0.001 0.000 0.198 723 E C 2.024 178.585 176.600 -0.065 0.000 1.024 723 E CA 0.920 57.289 56.400 -0.053 0.000 0.861 723 E CB -0.158 29.511 29.700 -0.051 0.000 0.788 723 E HN 0.642 nan 8.360 nan 0.000 0.521 724 A N 1.272 124.046 122.820 -0.077 0.000 1.901 724 A HA 0.022 4.342 4.320 -0.001 0.000 0.210 724 A C 2.075 179.447 177.584 -0.353 0.000 1.208 724 A CA 0.025 52.000 52.037 -0.104 0.000 0.644 724 A CB -0.485 18.521 19.000 0.010 0.000 0.863 724 A HN 0.204 nan 8.150 nan 0.000 0.454 725 L N 0.332 121.197 121.223 -0.598 0.000 1.997 725 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 725 L C 2.415 179.073 176.870 -0.353 0.000 1.074 725 L CA 2.010 56.358 54.840 -0.820 0.000 0.763 725 L CB -0.339 41.373 42.059 -0.579 0.000 0.890 725 L HN 0.249 nan 8.230 nan 0.000 0.434 726 V N 0.513 120.307 119.914 -0.200 0.000 2.453 726 V HA -0.314 3.805 4.120 -0.001 0.000 0.252 726 V C 2.049 178.149 176.094 0.011 0.000 1.068 726 V CA 2.119 64.372 62.300 -0.078 0.000 1.070 726 V CB -0.832 30.926 31.823 -0.109 0.000 0.664 726 V HN 0.575 nan 8.190 nan 0.000 0.461 727 N N -1.288 117.401 118.700 -0.019 0.000 2.376 727 N HA -0.082 4.658 4.740 -0.001 0.000 0.177 727 N C 1.593 177.161 175.510 0.097 0.000 1.024 727 N CA 0.729 53.808 53.050 0.049 0.000 0.893 727 N CB -0.418 38.089 38.487 0.034 0.000 0.980 727 N HN 0.594 nan 8.380 nan 0.000 0.439 728 Y N 1.814 122.083 120.300 -0.051 0.000 2.224 728 Y HA -0.002 4.547 4.550 -0.002 0.000 0.289 728 Y C 1.888 177.716 175.900 -0.119 0.000 1.146 728 Y CA 1.155 59.245 58.100 -0.017 0.000 1.182 728 Y CB -0.275 38.256 38.460 0.119 0.000 0.983 728 Y HN -0.035 nan 8.280 nan 0.000 0.524 729 I N -1.478 119.013 120.570 -0.132 0.000 2.315 729 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 729 I C 1.258 177.196 176.117 -0.298 0.000 1.117 729 I CA 1.583 62.707 61.300 -0.292 0.000 1.404 729 I CB -0.470 37.493 38.000 -0.061 0.000 1.071 729 I HN 0.169 nan 8.210 nan 0.000 0.419 730 Y N -0.157 120.046 120.300 -0.160 0.000 2.458 730 Y HA 0.121 4.670 4.550 -0.002 0.000 0.256 730 Y C 0.594 176.459 175.900 -0.059 0.000 1.159 730 Y CA -0.646 57.405 58.100 -0.082 0.000 1.261 730 Y CB 0.256 38.700 38.460 -0.026 0.000 1.119 730 Y HN 0.020 nan 8.280 nan 0.000 0.524 731 D N 0.266 120.670 120.400 0.008 0.000 2.343 731 D HA -0.034 4.606 4.640 -0.001 0.000 0.255 731 D C 1.460 177.737 176.300 -0.040 0.000 1.187 731 D CA 0.492 54.495 54.000 0.005 0.000 0.875 731 D CB 1.345 42.148 40.800 0.005 0.000 1.136 731 D HN 0.231 nan 8.370 nan 0.000 0.469 732 T N 2.245 116.806 114.554 0.011 0.000 2.777 732 T HA -0.128 4.222 4.350 -0.001 0.000 0.266 732 T C 1.471 176.162 174.700 -0.016 0.000 1.040 732 T CA 1.278 63.382 62.100 0.006 0.000 1.141 732 T CB 0.024 68.917 68.868 0.042 0.000 0.868 732 T HN 0.325 nan 8.240 nan 0.000 0.444 733 K N 0.718 121.114 120.400 -0.006 0.000 1.992 733 K HA 0.145 4.464 4.320 -0.001 0.000 0.210 733 K C 2.121 178.711 176.600 -0.017 0.000 1.036 733 K CA 1.524 57.808 56.287 -0.006 0.000 0.946 733 K CB -0.063 32.440 32.500 0.005 0.000 0.742 733 K HN 0.221 nan 8.250 nan 0.000 0.442 734 N N -0.193 118.502 118.700 -0.007 0.000 2.282 734 N HA 0.074 4.814 4.740 -0.001 0.000 0.185 734 N C 0.466 175.975 175.510 -0.002 0.000 1.099 734 N CA 0.262 53.315 53.050 0.006 0.000 0.878 734 N CB 0.544 39.051 38.487 0.033 0.000 0.993 734 N HN 0.188 nan 8.380 nan 0.000 0.481 735 G N 0.335 109.087 108.800 -0.079 0.000 2.516 735 G HA2 0.309 4.268 3.960 -0.001 0.000 0.276 735 G HA3 0.309 4.268 3.960 -0.001 0.000 0.276 735 G C 0.651 175.240 174.900 -0.518 0.000 1.390 735 G CA -0.456 44.465 45.100 -0.299 0.000 1.050 735 G HN 0.258 nan 8.290 nan 0.000 0.519 736 L N -2.043 118.645 121.223 -0.893 0.000 2.818 736 L HA 0.450 4.789 4.340 -0.001 0.000 0.243 736 L C 1.164 177.626 176.870 -0.680 0.000 1.185 736 L CA 0.378 54.724 54.840 -0.824 0.000 0.988 736 L CB -0.305 41.048 42.059 -1.177 0.000 1.292 736 L HN 0.859 nan 8.230 nan 0.000 0.519 737 G N 0.627 109.163 108.800 -0.440 0.000 2.441 737 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.298 737 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.298 737 G C -0.115 174.710 174.900 -0.124 0.000 0.949 737 G CA 0.460 45.433 45.100 -0.212 0.000 1.072 737 G HN 0.546 nan 8.290 nan 0.000 0.512 738 W N -0.747 120.259 121.300 -0.491 0.000 2.169 738 W HA 0.719 5.379 4.660 -0.001 0.000 0.447 738 W C 0.368 176.414 176.519 -0.789 0.000 1.829 738 W CA -0.974 55.985 57.345 -0.642 0.000 2.025 738 W CB 0.589 29.608 29.460 -0.736 0.000 1.542 738 W HN 0.152 nan 8.180 nan 0.000 0.727 739 D N 0.007 120.175 120.400 -0.387 0.000 2.934 739 D HA 0.316 4.956 4.640 -0.001 0.000 0.230 739 D C -1.245 174.976 176.300 -0.133 0.000 1.204 739 D CA -0.405 53.263 54.000 -0.554 0.000 0.873 739 D CB 1.504 41.942 40.800 -0.603 0.000 1.645 739 D HN 0.121 nan 8.370 nan 0.000 0.502 740 L N 2.935 124.143 121.223 -0.024 0.000 2.349 740 L HA 0.267 4.606 4.340 -0.001 0.000 0.275 740 L C 0.929 177.861 176.870 0.103 0.000 1.115 740 L CA -0.335 54.575 54.840 0.117 0.000 0.820 740 L CB 1.079 43.253 42.059 0.192 0.000 1.135 740 L HN 0.425 nan 8.230 nan 0.000 0.445 741 D N 1.099 121.562 120.400 0.104 0.000 2.463 741 D HA 0.085 4.724 4.640 -0.001 0.000 0.237 741 D C -0.452 175.762 176.300 -0.143 0.000 1.013 741 D CA 0.957 54.955 54.000 -0.004 0.000 0.910 741 D CB 0.558 41.389 40.800 0.052 0.000 1.080 741 D HN 0.294 nan 8.370 nan 0.000 0.498 742 Y N -0.144 120.172 120.300 0.027 0.000 2.499 742 Y HA 0.525 5.075 4.550 -0.001 0.000 0.347 742 Y C -0.316 175.603 175.900 0.031 0.000 0.987 742 Y CA -1.018 57.094 58.100 0.020 0.000 1.044 742 Y CB 2.628 41.066 38.460 -0.038 0.000 1.245 742 Y HN -0.427 nan 8.280 nan 0.000 0.461 743 V N 3.403 123.428 119.914 0.184 0.000 2.525 743 V HA 0.395 4.515 4.120 -0.001 0.000 0.299 743 V C -1.099 175.077 176.094 0.137 0.000 1.034 743 V CA -0.795 61.582 62.300 0.128 0.000 0.863 743 V CB 1.876 33.754 31.823 0.091 0.000 0.999 743 V HN 0.549 nan 8.190 nan 0.000 0.423 744 V N 7.592 127.586 119.914 0.133 0.000 2.276 744 V HA 0.320 4.439 4.120 -0.001 0.000 0.268 744 V C -2.437 173.847 176.094 0.317 0.000 1.032 744 V CA -1.494 60.935 62.300 0.215 0.000 0.810 744 V CB 1.574 33.440 31.823 0.072 0.000 1.060 744 V HN 0.738 nan 8.190 nan 0.000 0.446 745 P HA 0.281 nan 4.420 nan 0.000 0.225 745 P C -0.005 177.400 177.300 0.174 0.000 1.813 745 P CA -0.070 63.133 63.100 0.172 0.000 1.013 745 P CB -0.261 31.463 31.700 0.041 0.000 1.961 746 F N 0.549 120.506 119.950 0.012 0.000 2.701 746 F HA 0.314 4.840 4.527 -0.001 0.000 0.295 746 F C 1.397 177.216 175.800 0.031 0.000 1.165 746 F CA -0.977 57.033 58.000 0.017 0.000 1.399 746 F CB -0.699 38.307 39.000 0.010 0.000 0.996 746 F HN 0.087 nan 8.300 nan 0.000 0.513 747 A N 1.153 124.074 122.820 0.168 0.000 2.524 747 A HA 0.588 4.907 4.320 -0.001 0.000 0.250 747 A C 0.332 177.964 177.584 0.081 0.000 1.078 747 A CA 0.559 52.674 52.037 0.129 0.000 0.761 747 A CB -0.329 18.751 19.000 0.134 0.000 1.012 747 A HN 0.411 nan 8.150 nan 0.000 0.500 748 A N 2.622 125.481 122.820 0.065 0.000 2.589 748 A HA 0.691 5.011 4.320 -0.001 0.000 0.296 748 A C -0.922 176.666 177.584 0.007 0.000 1.062 748 A CA -0.417 51.640 52.037 0.033 0.000 0.686 748 A CB 0.961 19.973 19.000 0.019 0.000 1.282 748 A HN 0.772 nan 8.150 nan 0.000 0.404 749 I N 1.873 122.438 120.570 -0.008 0.000 2.465 749 I HA 0.369 4.539 4.170 -0.001 0.000 0.291 749 I C -2.369 173.708 176.117 -0.067 0.000 1.014 749 I CA -2.206 59.079 61.300 -0.025 0.000 1.093 749 I CB 2.615 40.611 38.000 -0.006 0.000 1.267 749 I HN 0.368 nan 8.210 nan 0.000 0.431 750 P HA 0.070 nan 4.420 nan 0.000 0.263 750 P C -0.095 177.153 177.300 -0.087 0.000 1.276 750 P CA 0.011 63.041 63.100 -0.116 0.000 0.986 750 P CB 0.081 31.727 31.700 -0.091 0.000 1.105 751 E N 1.138 121.278 120.200 -0.101 0.000 2.474 751 E HA -0.012 4.338 4.350 -0.001 0.000 0.195 751 E C 0.369 176.938 176.600 -0.052 0.000 1.039 751 E CA -0.525 55.846 56.400 -0.048 0.000 0.881 751 E CB -0.243 29.453 29.700 -0.007 0.000 0.970 751 E HN 0.277 nan 8.360 nan 0.000 0.486 752 N N 1.798 120.443 118.700 -0.091 0.000 1.935 752 N HA -0.175 4.565 4.740 -0.001 0.000 0.304 752 N C 0.807 176.295 175.510 -0.038 0.000 1.286 752 N CA 1.889 54.893 53.050 -0.077 0.000 0.798 752 N CB 0.240 38.671 38.487 -0.093 0.000 1.028 752 N HN 0.383 nan 8.380 nan 0.000 0.494 753 G N 2.622 111.410 108.800 -0.021 0.000 2.205 753 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.180 753 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.180 753 G C -0.466 174.436 174.900 0.004 0.000 1.004 753 G CA 0.055 45.151 45.100 -0.007 0.000 0.670 753 G HN 0.893 nan 8.290 nan 0.000 0.496 754 R N 0.550 121.055 120.500 0.009 0.000 2.575 754 R HA 0.718 5.057 4.340 -0.001 0.000 0.293 754 R C -0.608 175.704 176.300 0.020 0.000 0.983 754 R CA -0.943 55.165 56.100 0.014 0.000 0.887 754 R CB 1.889 32.197 30.300 0.014 0.000 1.184 754 R HN 0.289 nan 8.270 nan 0.000 0.445 755 E N 1.770 121.981 120.200 0.018 0.000 2.330 755 E HA 0.162 4.511 4.350 -0.001 0.000 0.256 755 E C 1.181 177.790 176.600 0.015 0.000 1.146 755 E CA -0.668 55.744 56.400 0.020 0.000 0.945 755 E CB 1.208 30.919 29.700 0.017 0.000 1.182 755 E HN 0.720 nan 8.360 nan 0.000 0.480 756 I N -1.498 119.080 120.570 0.012 0.000 2.657 756 I HA -0.228 3.941 4.170 -0.001 0.000 0.261 756 I C 1.525 177.645 176.117 0.005 0.000 1.212 756 I CA 1.180 62.484 61.300 0.007 0.000 1.453 756 I CB -0.191 37.811 38.000 0.004 0.000 1.092 756 I HN 0.430 nan 8.210 nan 0.000 0.452 757 D N 2.588 122.991 120.400 0.006 0.000 2.248 757 D HA -0.221 4.419 4.640 -0.001 0.000 0.191 757 D C 0.538 176.840 176.300 0.003 0.000 1.013 757 D CA 2.003 56.005 54.000 0.005 0.000 0.883 757 D CB 0.003 40.807 40.800 0.007 0.000 0.915 757 D HN 0.681 nan 8.370 nan 0.000 0.448 758 S N -0.705 114.998 115.700 0.005 0.000 2.387 758 S HA 0.381 4.850 4.470 -0.001 0.000 0.211 758 S C -0.591 174.014 174.600 0.008 0.000 1.055 758 S CA -0.867 57.335 58.200 0.004 0.000 1.133 758 S CB 0.151 63.354 63.200 0.005 0.000 1.235 758 S HN 0.012 nan 8.310 nan 0.000 0.425 759 I N 4.472 125.046 120.570 0.007 0.000 2.243 759 I HA 0.192 4.361 4.170 -0.001 0.000 0.297 759 I C 0.717 176.844 176.117 0.016 0.000 1.161 759 I CA -0.073 61.236 61.300 0.014 0.000 1.298 759 I CB -0.250 37.758 38.000 0.012 0.000 1.475 759 I HN 0.695 nan 8.210 nan 0.000 0.561 760 D N 2.695 123.109 120.400 0.024 0.000 2.380 760 D HA -0.005 4.635 4.640 -0.001 0.000 0.254 760 D C 1.481 177.809 176.300 0.047 0.000 1.288 760 D CA -0.094 53.923 54.000 0.027 0.000 1.008 760 D CB 0.297 41.114 40.800 0.029 0.000 1.099 760 D HN 0.236 nan 8.370 nan 0.000 0.537 761 S N -0.599 115.136 115.700 0.059 0.000 2.359 761 S HA -0.308 4.162 4.470 -0.001 0.000 0.222 761 S C 1.779 176.473 174.600 0.157 0.000 1.038 761 S CA 2.281 60.548 58.200 0.112 0.000 1.051 761 S CB -0.532 62.744 63.200 0.127 0.000 0.944 761 S HN 0.580 nan 8.310 nan 0.000 0.433 762 K N 0.249 120.715 120.400 0.110 0.000 2.077 762 K HA -0.146 4.174 4.320 -0.001 0.000 0.213 762 K C 2.263 178.927 176.600 0.107 0.000 1.051 762 K CA 1.998 58.341 56.287 0.094 0.000 0.929 762 K CB -0.478 32.053 32.500 0.052 0.000 0.715 762 K HN 0.446 nan 8.250 nan 0.000 0.451 763 S N 0.561 116.319 115.700 0.096 0.000 2.353 763 S HA -0.210 4.260 4.470 -0.001 0.000 0.222 763 S C 1.840 176.536 174.600 0.161 0.000 1.035 763 S CA 1.672 59.935 58.200 0.104 0.000 1.025 763 S CB -0.367 62.877 63.200 0.074 0.000 0.902 763 S HN 0.458 nan 8.310 nan 0.000 0.440 764 E N 0.711 121.015 120.200 0.173 0.000 2.085 764 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 764 E C 2.060 178.851 176.600 0.318 0.000 0.994 764 E CA 1.146 57.684 56.400 0.229 0.000 0.801 764 E CB -0.215 29.573 29.700 0.147 0.000 0.743 764 E HN 0.321 nan 8.360 nan 0.000 0.453 765 L N 0.954 122.389 121.223 0.353 0.000 1.970 765 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 765 L C 2.293 179.221 176.870 0.096 0.000 1.071 765 L CA 2.533 57.484 54.840 0.186 0.000 0.751 765 L CB -1.221 40.876 42.059 0.063 0.000 0.889 765 L HN 0.171 nan 8.230 nan 0.000 0.432 766 A N -1.261 121.625 122.820 0.109 0.000 1.892 766 A HA -0.353 3.967 4.320 -0.001 0.000 0.218 766 A C 2.468 180.145 177.584 0.155 0.000 1.188 766 A CA 2.083 54.180 52.037 0.100 0.000 0.631 766 A CB -1.402 17.655 19.000 0.095 0.000 0.822 766 A HN 0.818 nan 8.150 nan 0.000 0.447 767 H N -1.194 117.920 119.070 0.075 0.000 2.491 767 H HA -0.031 4.525 4.556 -0.001 0.000 0.290 767 H C 2.297 177.658 175.328 0.055 0.000 1.050 767 H CA 1.137 57.224 56.048 0.065 0.000 1.309 767 H CB 0.028 29.829 29.762 0.065 0.000 1.392 767 H HN 0.511 nan 8.280 nan 0.000 0.554 768 R N 0.412 120.915 120.500 0.006 0.000 2.127 768 R HA -0.011 4.328 4.340 -0.001 0.000 0.217 768 R C 2.222 178.492 176.300 -0.049 0.000 1.074 768 R CA 0.764 56.822 56.100 -0.069 0.000 0.991 768 R CB 0.133 30.442 30.300 0.016 0.000 0.895 768 R HN 0.338 nan 8.270 nan 0.000 0.450 769 I N 0.133 120.694 120.570 -0.015 0.000 2.286 769 I HA -0.229 3.940 4.170 -0.001 0.000 0.245 769 I C 2.148 178.275 176.117 0.017 0.000 1.104 769 I CA 1.266 62.559 61.300 -0.011 0.000 1.397 769 I CB -0.088 37.909 38.000 -0.005 0.000 1.072 769 I HN 0.233 nan 8.210 nan 0.000 0.417 770 M N -0.575 119.054 119.600 0.048 0.000 2.447 770 M HA -0.068 4.412 4.480 -0.001 0.000 0.264 770 M C 1.691 178.015 176.300 0.041 0.000 1.095 770 M CA 1.273 56.610 55.300 0.061 0.000 1.125 770 M CB 0.326 32.996 32.600 0.117 0.000 1.389 770 M HN 0.235 nan 8.290 nan 0.000 0.459 771 L N -1.841 119.397 121.223 0.025 0.000 2.862 771 L HA 0.172 4.512 4.340 -0.001 0.000 0.169 771 L C 2.101 178.925 176.870 -0.076 0.000 1.164 771 L CA 1.099 55.931 54.840 -0.013 0.000 0.858 771 L CB -0.895 41.197 42.059 0.055 0.000 1.329 771 L HN 0.175 nan 8.230 nan 0.000 0.514 772 T N -0.739 113.731 114.554 -0.140 0.000 2.720 772 T HA -0.123 4.227 4.350 -0.001 0.000 0.268 772 T C 1.538 176.190 174.700 -0.079 0.000 1.037 772 T CA 1.906 63.937 62.100 -0.116 0.000 1.144 772 T CB -0.614 68.174 68.868 -0.133 0.000 0.864 772 T HN 0.286 nan 8.240 nan 0.000 0.444 773 N N 0.613 119.275 118.700 -0.064 0.000 2.424 773 N HA 0.252 4.992 4.740 -0.001 0.000 0.178 773 N C 1.653 177.148 175.510 -0.025 0.000 1.060 773 N CA 0.113 53.138 53.050 -0.041 0.000 0.901 773 N CB -0.357 38.108 38.487 -0.036 0.000 0.979 773 N HN 0.321 nan 8.380 nan 0.000 0.451 774 L N 0.364 121.568 121.223 -0.031 0.000 2.017 774 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 774 L C 1.821 178.647 176.870 -0.073 0.000 1.073 774 L CA 1.011 55.830 54.840 -0.035 0.000 0.745 774 L CB -0.137 41.898 42.059 -0.040 0.000 0.894 774 L HN 0.116 nan 8.230 nan 0.000 0.432 775 L N -0.779 120.388 121.223 -0.093 0.000 2.131 775 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 775 L C 2.736 179.516 176.870 -0.150 0.000 1.092 775 L CA 1.150 55.907 54.840 -0.139 0.000 0.759 775 L CB -0.409 41.574 42.059 -0.127 0.000 0.903 775 L HN 0.234 nan 8.230 nan 0.000 0.435 776 R N -0.498 119.938 120.500 -0.106 0.000 2.153 776 R HA -0.081 4.259 4.340 -0.001 0.000 0.218 776 R C 2.254 178.497 176.300 -0.096 0.000 1.072 776 R CA 0.754 56.793 56.100 -0.101 0.000 0.990 776 R CB -0.143 30.113 30.300 -0.072 0.000 0.889 776 R HN 0.346 nan 8.270 nan 0.000 0.452 777 L N 1.007 122.188 121.223 -0.071 0.000 1.994 777 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 777 L C 2.105 178.917 176.870 -0.097 0.000 1.071 777 L CA 1.386 56.190 54.840 -0.060 0.000 0.745 777 L CB -0.210 41.836 42.059 -0.023 0.000 0.892 777 L HN 0.181 nan 8.230 nan 0.000 0.431 778 L N -0.637 120.514 121.223 -0.120 0.000 1.989 778 L HA -0.191 4.148 4.340 -0.001 0.000 0.211 778 L C 2.667 179.413 176.870 -0.207 0.000 1.071 778 L CA 1.511 56.257 54.840 -0.157 0.000 0.749 778 L CB -1.593 40.333 42.059 -0.221 0.000 0.890 778 L HN 0.393 nan 8.230 nan 0.000 0.431 779 G N -0.289 108.365 108.800 -0.243 0.000 2.469 779 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.219 779 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.219 779 G C 1.756 176.536 174.900 -0.200 0.000 1.150 779 G CA 1.051 46.001 45.100 -0.250 0.000 0.763 779 G HN 0.499 nan 8.290 nan 0.000 0.561 780 A N 0.897 123.616 122.820 -0.169 0.000 1.873 780 A HA 0.067 4.387 4.320 -0.001 0.000 0.215 780 A C 2.408 179.854 177.584 -0.230 0.000 1.186 780 A CA 1.302 53.235 52.037 -0.173 0.000 0.616 780 A CB -0.359 18.558 19.000 -0.138 0.000 0.823 780 A HN 0.368 nan 8.150 nan 0.000 0.442 781 I N -0.225 120.223 120.570 -0.204 0.000 2.151 781 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 781 I C 2.611 178.578 176.117 -0.249 0.000 1.080 781 I CA 1.895 63.054 61.300 -0.236 0.000 1.339 781 I CB -0.524 37.434 38.000 -0.070 0.000 1.039 781 I HN 0.373 nan 8.210 nan 0.000 0.409 782 K N 1.546 121.837 120.400 -0.182 0.000 1.977 782 K HA -0.225 4.094 4.320 -0.001 0.000 0.218 782 K C 2.112 178.515 176.600 -0.328 0.000 1.051 782 K CA 2.922 59.094 56.287 -0.192 0.000 0.953 782 K CB -0.743 31.657 32.500 -0.166 0.000 0.727 782 K HN 0.419 nan 8.250 nan 0.000 0.445 783 T N 0.928 115.307 114.554 -0.292 0.000 2.778 783 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 783 T C 2.005 176.553 174.700 -0.253 0.000 1.050 783 T CA 1.153 63.091 62.100 -0.270 0.000 1.137 783 T CB -0.234 68.517 68.868 -0.195 0.000 0.860 783 T HN 0.221 nan 8.240 nan 0.000 0.468 784 Q N 1.548 121.160 119.800 -0.313 0.000 2.002 784 Q HA -0.071 4.269 4.340 -0.001 0.000 0.204 784 Q C 2.425 178.326 176.000 -0.164 0.000 0.988 784 Q CA 1.740 57.330 55.803 -0.356 0.000 0.843 784 Q CB -0.330 27.889 28.738 -0.865 0.000 0.908 784 Q HN 0.631 nan 8.270 nan 0.000 0.420 785 K N 0.571 120.891 120.400 -0.133 0.000 2.032 785 K HA -0.174 4.146 4.320 -0.001 0.000 0.209 785 K C 2.153 178.813 176.600 0.100 0.000 1.048 785 K CA 1.386 57.791 56.287 0.197 0.000 0.927 785 K CB -0.191 32.477 32.500 0.280 0.000 0.712 785 K HN 0.064 nan 8.250 nan 0.000 0.441 786 K N 1.464 121.718 120.400 -0.244 0.000 2.074 786 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 786 K C 1.764 178.326 176.600 -0.063 0.000 1.048 786 K CA 1.831 57.950 56.287 -0.280 0.000 0.926 786 K CB 0.080 32.266 32.500 -0.523 0.000 0.713 786 K HN 0.193 nan 8.250 nan 0.000 0.444 787 E N -0.165 119.995 120.200 -0.068 0.000 2.072 787 E HA -0.110 4.239 4.350 -0.001 0.000 0.190 787 E C 1.710 178.307 176.600 -0.006 0.000 0.982 787 E CA 0.808 57.188 56.400 -0.033 0.000 0.803 787 E CB 0.093 29.767 29.700 -0.042 0.000 0.755 787 E HN 0.260 nan 8.360 nan 0.000 0.453 788 R N -0.027 120.495 120.500 0.037 0.000 2.325 788 R HA 0.077 4.417 4.340 -0.001 0.000 0.214 788 R C 0.953 177.113 176.300 -0.233 0.000 0.961 788 R CA 0.466 56.546 56.100 -0.034 0.000 1.086 788 R CB 0.243 30.647 30.300 0.174 0.000 1.037 788 R HN 0.249 nan 8.270 nan 0.000 0.493 789 G N 0.662 109.420 108.800 -0.070 0.000 2.166 789 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.260 789 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.260 789 G C -0.278 174.605 174.900 -0.029 0.000 0.986 789 G CA 0.005 45.071 45.100 -0.057 0.000 0.683 789 G HN 0.383 nan 8.290 nan 0.000 0.527 790 Y N 1.350 121.747 120.300 0.161 0.000 2.576 790 Y HA 0.320 4.870 4.550 -0.001 0.000 0.348 790 Y C 1.621 177.655 175.900 0.223 0.000 1.212 790 Y CA 0.080 58.290 58.100 0.182 0.000 1.683 790 Y CB 0.308 38.901 38.460 0.222 0.000 1.484 790 Y HN 0.231 nan 8.280 nan 0.000 0.477 791 E N 0.509 120.862 120.200 0.255 0.000 2.132 791 E HA -0.036 4.314 4.350 -0.001 0.000 0.193 791 E C 1.430 178.059 176.600 0.049 0.000 0.951 791 E CA 1.098 57.580 56.400 0.137 0.000 0.843 791 E CB 0.019 29.765 29.700 0.076 0.000 0.807 791 E HN 0.533 nan 8.360 nan 0.000 0.467 792 T N -0.296 114.307 114.554 0.082 0.000 3.330 792 T HA 0.256 4.605 4.350 -0.001 0.000 0.249 792 T C 0.690 175.435 174.700 0.074 0.000 0.980 792 T CA -0.182 61.950 62.100 0.053 0.000 0.920 792 T CB -0.032 68.869 68.868 0.054 0.000 1.065 792 T HN -0.177 nan 8.240 nan 0.000 0.588 793 R N 1.735 122.296 120.500 0.101 0.000 2.855 793 R HA 0.318 4.657 4.340 -0.001 0.000 0.261 793 R C -3.302 173.059 176.300 0.102 0.000 1.826 793 R CA -1.492 54.665 56.100 0.095 0.000 1.435 793 R CB 1.267 31.634 30.300 0.111 0.000 1.383 793 R HN 0.215 nan 8.270 nan 0.000 0.583 794 P HA 0.156 nan 4.420 nan 0.000 0.272 794 P C -1.093 176.256 177.300 0.081 0.000 1.230 794 P CA -0.229 62.934 63.100 0.105 0.000 0.788 794 P CB 1.010 32.774 31.700 0.105 0.000 0.949 795 A N 1.724 124.615 122.820 0.118 0.000 2.288 795 A HA 0.331 4.651 4.320 -0.001 0.000 0.320 795 A C -0.249 177.370 177.584 0.058 0.000 1.217 795 A CA -0.564 51.513 52.037 0.068 0.000 0.840 795 A CB 0.307 19.379 19.000 0.119 0.000 1.179 795 A HN 0.540 nan 8.150 nan 0.000 0.504 796 Q N 2.172 121.938 119.800 -0.056 0.000 2.279 796 Q HA 0.477 4.816 4.340 -0.001 0.000 0.256 796 Q C -1.301 174.723 176.000 0.040 0.000 0.937 796 Q CA -0.228 55.556 55.803 -0.033 0.000 0.933 796 Q CB 0.896 29.535 28.738 -0.164 0.000 1.189 796 Q HN 0.520 nan 8.270 nan 0.000 0.417 797 V N 6.312 126.270 119.914 0.073 0.000 2.313 797 V HA 0.202 4.322 4.120 -0.001 0.000 0.278 797 V C 0.100 176.223 176.094 0.049 0.000 1.017 797 V CA -0.706 61.638 62.300 0.073 0.000 0.823 797 V CB 1.083 32.947 31.823 0.069 0.000 1.010 797 V HN 0.733 nan 8.190 nan 0.000 0.443 798 I N 5.447 126.069 120.570 0.087 0.000 2.366 798 I HA 0.086 4.255 4.170 -0.001 0.000 0.302 798 I C 0.469 176.592 176.117 0.010 0.000 1.194 798 I CA -0.023 61.326 61.300 0.083 0.000 1.667 798 I CB -0.340 37.774 38.000 0.191 0.000 1.501 798 I HN 0.393 nan 8.210 nan 0.000 0.776 799 L N 7.273 128.437 121.223 -0.098 0.000 2.654 799 L HA 0.060 4.400 4.340 -0.001 0.000 0.271 799 L C -1.866 174.842 176.870 -0.270 0.000 1.169 799 L CA -0.708 54.010 54.840 -0.204 0.000 0.947 799 L CB 0.032 41.919 42.059 -0.287 0.000 1.232 799 L HN 0.175 nan 8.230 nan 0.000 0.486 800 P HA 0.221 nan 4.420 nan 0.000 0.260 800 P C -0.272 176.836 177.300 -0.320 0.000 1.651 800 P CA -0.149 62.680 63.100 -0.452 0.000 1.139 800 P CB 0.262 31.458 31.700 -0.839 0.000 1.756 801 L N 0.455 121.509 121.223 -0.282 0.000 2.488 801 L HA 0.611 4.950 4.340 -0.001 0.000 0.249 801 L C 0.913 177.670 176.870 -0.189 0.000 1.151 801 L CA -0.494 54.204 54.840 -0.237 0.000 0.806 801 L CB 0.364 42.260 42.059 -0.272 0.000 1.261 801 L HN 0.175 nan 8.230 nan 0.000 0.484 802 S N -1.447 114.153 115.700 -0.166 0.000 2.570 802 S HA 0.538 5.007 4.470 -0.001 0.000 0.286 802 S C -2.219 172.224 174.600 -0.262 0.000 1.099 802 S CA -1.308 56.779 58.200 -0.189 0.000 0.913 802 S CB 1.862 64.925 63.200 -0.228 0.000 1.085 802 S HN 0.337 nan 8.310 nan 0.000 0.480 803 P HA 0.171 nan 4.420 nan 0.000 0.227 803 P C -0.481 176.624 177.300 -0.325 0.000 1.161 803 P CA 0.525 63.523 63.100 -0.170 0.000 0.788 803 P CB 0.066 31.756 31.700 -0.016 0.000 0.822 804 N N 0.657 119.169 118.700 -0.313 0.000 2.816 804 N HA 0.082 4.821 4.740 -0.001 0.000 0.236 804 N C -0.473 174.921 175.510 -0.195 0.000 1.076 804 N CA -0.199 52.768 53.050 -0.138 0.000 0.902 804 N CB -0.084 38.503 38.487 0.167 0.000 1.149 804 N HN 0.237 nan 8.380 nan 0.000 0.506 805 H N 0.663 119.755 119.070 0.037 0.000 2.970 805 H HA 0.193 4.748 4.556 -0.001 0.000 0.226 805 H C 1.240 176.582 175.328 0.023 0.000 1.909 805 H CA -0.009 56.036 56.048 -0.005 0.000 1.388 805 H CB -0.268 29.491 29.762 -0.004 0.000 1.773 805 H HN 0.754 nan 8.280 nan 0.000 0.559 806 G N 2.048 110.917 108.800 0.115 0.000 2.137 806 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.237 806 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.237 806 G C 1.340 176.296 174.900 0.093 0.000 1.002 806 G CA 0.677 45.841 45.100 0.106 0.000 0.702 806 G HN 0.597 nan 8.290 nan 0.000 0.515 807 T N -2.646 111.972 114.554 0.107 0.000 2.942 807 T HA 0.373 4.722 4.350 -0.001 0.000 0.265 807 T C 1.079 175.727 174.700 -0.087 0.000 1.062 807 T CA 0.754 62.859 62.100 0.009 0.000 1.139 807 T CB 0.045 68.910 68.868 -0.006 0.000 0.883 807 T HN 0.287 nan 8.240 nan 0.000 0.468 808 F N 1.657 121.609 119.950 0.003 0.000 2.378 808 F HA 0.654 5.180 4.527 -0.001 0.000 0.325 808 F C 1.308 177.112 175.800 0.007 0.000 1.097 808 F CA -0.772 57.227 58.000 -0.003 0.000 1.079 808 F CB 0.895 39.885 39.000 -0.017 0.000 1.240 808 F HN 0.199 nan 8.300 nan 0.000 0.519 809 G N 0.410 109.320 108.800 0.184 0.000 2.477 809 G HA2 0.351 4.310 3.960 -0.001 0.000 0.304 809 G HA3 0.351 4.310 3.960 -0.001 0.000 0.304 809 G C -0.269 174.693 174.900 0.103 0.000 1.175 809 G CA -0.622 44.542 45.100 0.107 0.000 0.907 809 G HN 0.741 nan 8.290 nan 0.000 0.509 810 N N -0.518 118.222 118.700 0.068 0.000 2.878 810 N HA -0.167 4.572 4.740 -0.001 0.000 0.247 810 N C 0.767 176.305 175.510 0.048 0.000 1.021 810 N CA 1.303 54.381 53.050 0.046 0.000 0.873 810 N CB -0.837 37.668 38.487 0.031 0.000 1.128 810 N HN 0.611 nan 8.380 nan 0.000 0.571 811 D N 0.484 120.935 120.400 0.085 0.000 2.149 811 D HA -0.004 4.635 4.640 -0.001 0.000 0.194 811 D C 1.476 177.835 176.300 0.099 0.000 1.001 811 D CA 1.994 56.071 54.000 0.127 0.000 0.849 811 D CB -0.658 40.257 40.800 0.192 0.000 0.939 811 D HN 0.639 nan 8.370 nan 0.000 0.449 812 G N 0.998 109.837 108.800 0.066 0.000 2.342 812 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.267 812 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.267 812 G C 0.545 175.475 174.900 0.050 0.000 0.922 812 G CA 0.163 45.290 45.100 0.044 0.000 1.342 812 G HN 0.362 nan 8.290 nan 0.000 0.430 813 L N -1.464 119.768 121.223 0.016 0.000 5.081 813 L HA -0.278 4.061 4.340 -0.001 0.000 0.423 813 L C 1.798 178.655 176.870 -0.021 0.000 1.019 813 L CA 2.596 57.406 54.840 -0.051 0.000 1.223 813 L CB -2.033 40.009 42.059 -0.028 0.000 1.940 813 L HN 0.901 nan 8.230 nan 0.000 0.675 814 Y N 1.493 121.749 120.300 -0.073 0.000 2.134 814 Y HA -0.170 4.379 4.550 -0.001 0.000 0.283 814 Y C 2.468 178.332 175.900 -0.060 0.000 1.108 814 Y CA 2.382 60.445 58.100 -0.061 0.000 1.096 814 Y CB -0.687 37.740 38.460 -0.055 0.000 1.005 814 Y HN 0.320 nan 8.280 nan 0.000 0.487 815 S N 0.465 115.972 115.700 -0.322 0.000 2.381 815 S HA -0.305 4.165 4.470 -0.001 0.000 0.230 815 S C 1.699 176.164 174.600 -0.224 0.000 1.052 815 S CA 1.762 59.752 58.200 -0.349 0.000 1.068 815 S CB -0.801 62.345 63.200 -0.091 0.000 0.918 815 S HN 0.531 nan 8.310 nan 0.000 0.448 816 E N 1.839 121.932 120.200 -0.179 0.000 2.130 816 E HA -0.090 4.260 4.350 -0.001 0.000 0.196 816 E C 2.416 178.896 176.600 -0.200 0.000 0.998 816 E CA 1.540 57.828 56.400 -0.187 0.000 0.806 816 E CB -0.536 29.011 29.700 -0.255 0.000 0.738 816 E HN 0.674 nan 8.360 nan 0.000 0.459 817 S N 0.484 116.046 115.700 -0.232 0.000 2.345 817 S HA -0.084 4.385 4.470 -0.001 0.000 0.220 817 S C 1.727 176.276 174.600 -0.085 0.000 1.031 817 S CA 0.823 58.993 58.200 -0.050 0.000 0.996 817 S CB -0.137 63.113 63.200 0.084 0.000 0.882 817 S HN 0.076 nan 8.310 nan 0.000 0.445 818 K N 1.214 121.487 120.400 -0.212 0.000 2.097 818 K HA 0.056 4.375 4.320 -0.001 0.000 0.206 818 K C 2.111 178.650 176.600 -0.101 0.000 1.049 818 K CA 0.703 56.861 56.287 -0.215 0.000 0.933 818 K CB -0.819 31.432 32.500 -0.415 0.000 0.717 818 K HN 0.303 nan 8.250 nan 0.000 0.442 819 L N 0.897 122.089 121.223 -0.053 0.000 2.056 819 L HA -0.044 4.296 4.340 -0.001 0.000 0.207 819 L C 2.182 179.013 176.870 -0.065 0.000 1.078 819 L CA 1.797 56.603 54.840 -0.057 0.000 0.749 819 L CB -0.667 41.321 42.059 -0.119 0.000 0.901 819 L HN 0.119 nan 8.230 nan 0.000 0.433 820 A N -0.264 122.530 122.820 -0.044 0.000 1.940 820 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 820 A C 2.277 179.844 177.584 -0.028 0.000 1.176 820 A CA 2.046 54.077 52.037 -0.010 0.000 0.631 820 A CB -1.061 17.962 19.000 0.038 0.000 0.814 820 A HN 0.520 nan 8.150 nan 0.000 0.446 821 L N -0.504 120.679 121.223 -0.067 0.000 2.137 821 L HA -0.258 4.081 4.340 -0.001 0.000 0.213 821 L C 2.355 179.120 176.870 -0.175 0.000 1.085 821 L CA 1.739 56.506 54.840 -0.122 0.000 0.760 821 L CB -0.581 41.377 42.059 -0.168 0.000 0.893 821 L HN 0.526 nan 8.230 nan 0.000 0.434 822 E N -0.805 119.307 120.200 -0.147 0.000 2.418 822 E HA -0.144 4.205 4.350 -0.001 0.000 0.197 822 E C 1.952 178.570 176.600 0.030 0.000 1.026 822 E CA 1.280 57.583 56.400 -0.162 0.000 0.862 822 E CB -0.041 29.682 29.700 0.040 0.000 0.799 822 E HN 0.630 nan 8.360 nan 0.000 0.518 823 T N -0.572 114.013 114.554 0.051 0.000 2.929 823 T HA -0.099 4.251 4.350 -0.001 0.000 0.271 823 T C 1.935 176.739 174.700 0.173 0.000 1.085 823 T CA 0.465 62.646 62.100 0.135 0.000 1.125 823 T CB -0.238 68.692 68.868 0.104 0.000 0.874 823 T HN 0.093 nan 8.240 nan 0.000 0.494 824 L N -0.499 120.773 121.223 0.081 0.000 2.079 824 L HA 0.027 4.367 4.340 -0.001 0.000 0.210 824 L C 2.496 179.521 176.870 0.258 0.000 1.081 824 L CA 1.471 56.419 54.840 0.180 0.000 0.752 824 L CB -0.704 41.376 42.059 0.035 0.000 0.896 824 L HN 0.217 nan 8.230 nan 0.000 0.433 825 F N 0.287 120.350 119.950 0.188 0.000 2.115 825 F HA -0.341 4.186 4.527 -0.001 0.000 0.300 825 F C 2.153 178.071 175.800 0.196 0.000 1.092 825 F CA 1.619 59.733 58.000 0.191 0.000 1.245 825 F CB -0.254 38.941 39.000 0.324 0.000 0.995 825 F HN 0.256 nan 8.300 nan 0.000 0.481 826 N N -0.677 118.293 118.700 0.450 0.000 2.336 826 N HA 0.009 4.748 4.740 -0.001 0.000 0.177 826 N C 1.526 177.214 175.510 0.296 0.000 1.018 826 N CA 0.334 53.625 53.050 0.401 0.000 0.878 826 N CB -0.171 38.520 38.487 0.341 0.000 0.997 826 N HN 0.024 nan 8.380 nan 0.000 0.433 827 R N -0.527 120.145 120.500 0.286 0.000 2.139 827 R HA -0.168 4.172 4.340 -0.001 0.000 0.243 827 R C 1.571 177.828 176.300 -0.071 0.000 1.145 827 R CA 1.237 57.505 56.100 0.279 0.000 0.976 827 R CB -0.350 30.293 30.300 0.572 0.000 0.866 827 R HN 0.396 nan 8.270 nan 0.000 0.449 828 W N 0.374 121.402 121.300 -0.453 0.000 2.331 828 W HA -0.260 4.400 4.660 -0.000 0.000 0.291 828 W C 1.268 177.367 176.519 -0.701 0.000 1.214 828 W CA 1.604 58.347 57.345 -1.004 0.000 1.228 828 W CB -0.181 28.840 29.460 -0.730 0.000 1.135 828 W HN 0.129 nan 8.180 nan 0.000 0.537 829 Y N -0.731 119.603 120.300 0.056 0.000 2.301 829 Y HA -0.154 4.396 4.550 -0.001 0.000 0.295 829 Y C 2.895 178.734 175.900 -0.102 0.000 1.119 829 Y CA 1.185 59.307 58.100 0.037 0.000 1.162 829 Y CB -0.739 37.808 38.460 0.144 0.000 1.046 829 Y HN -0.092 nan 8.280 nan 0.000 0.538 830 S N -0.369 115.384 115.700 0.088 0.000 2.362 830 S HA -0.036 4.433 4.470 -0.001 0.000 0.221 830 S C 0.677 175.267 174.600 -0.017 0.000 1.032 830 S CA 0.212 58.443 58.200 0.052 0.000 0.973 830 S CB -0.382 62.878 63.200 0.101 0.000 0.849 830 S HN 0.303 nan 8.310 nan 0.000 0.465 831 E N 1.359 121.520 120.200 -0.064 0.000 2.385 831 E HA 0.360 4.709 4.350 -0.001 0.000 0.254 831 E C 0.316 176.799 176.600 -0.195 0.000 1.228 831 E CA 0.167 56.559 56.400 -0.014 0.000 0.956 831 E CB 0.597 30.489 29.700 0.320 0.000 1.116 831 E HN 0.448 nan 8.360 nan 0.000 0.507 832 S N 0.535 116.238 115.700 0.004 0.000 2.573 832 S HA 0.065 4.535 4.470 -0.001 0.000 0.244 832 S C 0.213 174.873 174.600 0.101 0.000 0.984 832 S CA -0.780 57.413 58.200 -0.013 0.000 1.001 832 S CB -0.169 63.073 63.200 0.069 0.000 0.788 832 S HN 0.656 nan 8.310 nan 0.000 0.456 833 W N -0.072 121.194 121.300 -0.057 0.000 3.123 833 W HA 0.507 5.166 4.660 -0.001 0.000 0.383 833 W C 0.984 177.389 176.519 -0.189 0.000 1.102 833 W CA -0.496 56.875 57.345 0.043 0.000 1.865 833 W CB -1.196 28.274 29.460 0.017 0.000 1.111 833 W HN 0.303 nan 8.180 nan 0.000 0.621 834 G N 3.169 111.498 108.800 -0.784 0.000 2.574 834 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.220 834 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.220 834 G C 1.483 175.969 174.900 -0.690 0.000 1.173 834 G CA 1.731 46.019 45.100 -1.354 0.000 0.772 834 G HN 0.166 nan 8.290 nan 0.000 0.585 835 N N -0.186 118.223 118.700 -0.485 0.000 2.188 835 N HA -0.030 4.709 4.740 -0.001 0.000 0.184 835 N C 1.912 177.207 175.510 -0.358 0.000 1.018 835 N CA 1.144 53.907 53.050 -0.479 0.000 0.858 835 N CB -0.318 37.692 38.487 -0.794 0.000 0.989 835 N HN 0.555 nan 8.380 nan 0.000 0.426 836 Y N -0.273 120.069 120.300 0.071 0.000 2.347 836 Y HA 0.233 4.783 4.550 -0.001 0.000 0.294 836 Y C 0.407 176.412 175.900 0.175 0.000 1.117 836 Y CA -0.093 58.082 58.100 0.125 0.000 1.184 836 Y CB 0.137 38.667 38.460 0.117 0.000 1.047 836 Y HN -0.112 nan 8.280 nan 0.000 0.546 837 L N 0.593 122.069 121.223 0.422 0.000 2.346 837 L HA 0.445 4.785 4.340 -0.001 0.000 0.276 837 L C 0.076 177.291 176.870 0.574 0.000 1.006 837 L CA -0.885 54.222 54.840 0.446 0.000 0.817 837 L CB 1.555 43.927 42.059 0.521 0.000 1.272 837 L HN 0.088 nan 8.230 nan 0.000 0.421 838 T N 0.896 115.732 114.554 0.470 0.000 2.885 838 T HA 0.776 5.125 4.350 -0.001 0.000 0.285 838 T C -0.184 174.671 174.700 0.260 0.000 1.019 838 T CA -0.632 61.758 62.100 0.482 0.000 1.010 838 T CB 1.243 70.249 68.868 0.230 0.000 1.022 838 T HN 0.305 nan 8.240 nan 0.000 0.466 839 I N 1.930 122.549 120.570 0.083 0.000 2.354 839 I HA 0.399 4.569 4.170 -0.001 0.000 0.292 839 I C -0.042 176.060 176.117 -0.025 0.000 0.989 839 I CA -0.885 60.444 61.300 0.049 0.000 1.188 839 I CB 1.565 39.613 38.000 0.081 0.000 1.342 839 I HN 0.819 nan 8.210 nan 0.000 0.457 840 C N 6.230 125.515 119.300 -0.024 0.000 2.816 840 C HA 0.557 5.016 4.460 -0.001 0.000 0.255 840 C C 0.870 175.806 174.990 -0.091 0.000 1.141 840 C CA -0.536 58.463 59.018 -0.032 0.000 1.554 840 C CB -0.931 26.797 27.740 -0.020 0.000 1.778 840 C HN 0.957 nan 8.230 nan 0.000 0.429 841 G N 3.684 112.429 108.800 -0.092 0.000 2.298 841 G HA2 0.462 4.422 3.960 -0.001 0.000 0.263 841 G HA3 0.462 4.422 3.960 -0.001 0.000 0.263 841 G C 0.224 174.937 174.900 -0.311 0.000 1.229 841 G CA 0.394 45.328 45.100 -0.278 0.000 0.976 841 G HN 1.474 nan 8.290 nan 0.000 0.459 842 A N 3.311 125.961 122.820 -0.284 0.000 2.536 842 A HA 0.474 4.793 4.320 -0.001 0.000 0.329 842 A C 0.061 177.506 177.584 -0.232 0.000 1.321 842 A CA -0.590 51.310 52.037 -0.228 0.000 0.804 842 A CB 1.250 20.179 19.000 -0.119 0.000 1.126 842 A HN 1.484 nan 8.150 nan 0.000 0.480 843 V N 5.825 125.581 119.914 -0.263 0.000 2.359 843 V HA 0.237 4.357 4.120 -0.001 0.000 0.248 843 V C 0.146 176.169 176.094 -0.117 0.000 1.091 843 V CA -0.003 62.187 62.300 -0.183 0.000 1.103 843 V CB -1.138 30.611 31.823 -0.124 0.000 1.176 843 V HN 0.567 nan 8.190 nan 0.000 0.488 844 I N 6.839 127.343 120.570 -0.110 0.000 2.648 844 I HA 0.323 4.493 4.170 -0.001 0.000 0.284 844 I C 1.322 177.400 176.117 -0.064 0.000 1.153 844 I CA 1.008 62.257 61.300 -0.085 0.000 1.426 844 I CB 0.431 38.411 38.000 -0.034 0.000 1.381 844 I HN 0.649 nan 8.210 nan 0.000 0.571 845 G N 5.177 113.922 108.800 -0.091 0.000 2.557 845 G HA2 0.145 4.105 3.960 -0.001 0.000 0.302 845 G HA3 0.145 4.105 3.960 -0.001 0.000 0.302 845 G C -1.101 173.891 174.900 0.153 0.000 1.311 845 G CA -0.554 44.567 45.100 0.035 0.000 1.030 845 G HN 0.650 nan 8.290 nan 0.000 0.509 846 W N 1.598 122.947 121.300 0.081 0.000 2.611 846 W HA 0.208 4.867 4.660 -0.001 0.000 0.346 846 W C -0.620 175.996 176.519 0.161 0.000 1.365 846 W CA 0.126 57.535 57.345 0.106 0.000 1.313 846 W CB -0.624 28.923 29.460 0.146 0.000 1.351 846 W HN 0.170 nan 8.180 nan 0.000 0.576 847 T N 8.167 123.024 114.554 0.505 0.000 3.064 847 T HA 0.250 4.599 4.350 -0.001 0.000 0.367 847 T C 0.146 175.049 174.700 0.337 0.000 1.202 847 T CA -0.774 61.556 62.100 0.384 0.000 1.133 847 T CB 0.277 69.270 68.868 0.208 0.000 1.074 847 T HN 0.320 nan 8.240 nan 0.000 0.519 848 R N 1.294 122.025 120.500 0.385 0.000 2.583 848 R HA 0.455 4.794 4.340 -0.001 0.000 0.274 848 R C 0.363 176.771 176.300 0.179 0.000 0.998 848 R CA -0.569 55.694 56.100 0.271 0.000 1.081 848 R CB 0.147 30.590 30.300 0.239 0.000 0.940 848 R HN 0.536 nan 8.270 nan 0.000 0.413 849 G N 1.713 110.584 108.800 0.118 0.000 2.557 849 G HA2 0.294 4.253 3.960 -0.001 0.000 0.310 849 G HA3 0.294 4.253 3.960 -0.001 0.000 0.310 849 G C -0.225 174.722 174.900 0.080 0.000 1.328 849 G CA -0.810 44.343 45.100 0.089 0.000 0.945 849 G HN 0.692 nan 8.290 nan 0.000 0.494 850 T N 0.034 114.640 114.554 0.087 0.000 2.871 850 T HA 0.372 4.722 4.350 -0.001 0.000 0.296 850 T C 1.715 176.447 174.700 0.053 0.000 0.998 850 T CA 0.842 62.993 62.100 0.085 0.000 1.162 850 T CB 1.012 69.922 68.868 0.070 0.000 0.947 850 T HN 2.144 nan 8.240 nan 0.000 0.536 851 G N 2.849 111.684 108.800 0.059 0.000 2.238 851 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.270 851 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.270 851 G C 0.475 175.383 174.900 0.015 0.000 0.977 851 G CA 0.842 45.962 45.100 0.034 0.000 0.639 851 G HN 0.769 nan 8.290 nan 0.000 0.544 852 L N -0.759 120.472 121.223 0.012 0.000 2.077 852 L HA 0.415 4.755 4.340 -0.001 0.000 0.225 852 L C 1.650 178.511 176.870 -0.015 0.000 1.117 852 L CA 0.458 55.294 54.840 -0.007 0.000 2.064 852 L CB -0.211 41.843 42.059 -0.007 0.000 1.738 852 L HN 0.132 nan 8.230 nan 0.000 0.927 853 M N 0.101 119.684 119.600 -0.027 0.000 2.205 853 M HA 0.161 4.641 4.480 -0.001 0.000 0.344 853 M C 0.754 177.022 176.300 -0.054 0.000 1.085 853 M CA -0.066 55.209 55.300 -0.042 0.000 1.001 853 M CB 1.286 33.849 32.600 -0.061 0.000 1.626 853 M HN 0.402 nan 8.290 nan 0.000 0.442 854 S N 1.038 116.704 115.700 -0.057 0.000 2.558 854 S HA 0.090 4.559 4.470 -0.001 0.000 0.217 854 S C 1.636 176.177 174.600 -0.098 0.000 0.975 854 S CA 0.357 58.497 58.200 -0.100 0.000 0.912 854 S CB -0.263 62.902 63.200 -0.058 0.000 0.776 854 S HN 0.746 nan 8.310 nan 0.000 0.526 855 A N 3.787 126.570 122.820 -0.062 0.000 1.933 855 A HA -0.126 4.194 4.320 -0.001 0.000 0.218 855 A C 1.892 179.460 177.584 -0.025 0.000 1.175 855 A CA 1.528 53.541 52.037 -0.041 0.000 0.628 855 A CB -0.603 18.369 19.000 -0.046 0.000 0.814 855 A HN 0.649 nan 8.150 nan 0.000 0.444 856 N N -0.133 118.543 118.700 -0.041 0.000 2.398 856 N HA -0.014 4.725 4.740 -0.001 0.000 0.188 856 N C 0.297 175.935 175.510 0.213 0.000 1.122 856 N CA 0.585 53.648 53.050 0.022 0.000 0.866 856 N CB -0.151 38.269 38.487 -0.112 0.000 0.970 856 N HN 0.445 nan 8.380 nan 0.000 0.462 857 N N 0.302 118.984 118.700 -0.030 0.000 2.397 857 N HA 0.226 4.966 4.740 -0.001 0.000 0.190 857 N C 1.665 176.981 175.510 -0.324 0.000 1.099 857 N CA -0.037 52.829 53.050 -0.307 0.000 0.876 857 N CB 0.247 38.247 38.487 -0.811 0.000 1.143 857 N HN 0.092 nan 8.380 nan 0.000 0.468 858 L N 0.076 121.209 121.223 -0.151 0.000 2.141 858 L HA 0.000 4.340 4.340 -0.001 0.000 0.209 858 L C 1.404 178.307 176.870 0.055 0.000 1.094 858 L CA 0.939 55.762 54.840 -0.028 0.000 0.763 858 L CB -0.073 41.990 42.059 0.006 0.000 0.908 858 L HN -0.013 nan 8.230 nan 0.000 0.437 859 V N -0.724 119.254 119.914 0.105 0.000 3.590 859 V HA 0.085 4.205 4.120 -0.001 0.000 0.265 859 V C 2.425 178.603 176.094 0.139 0.000 1.239 859 V CA 0.837 63.231 62.300 0.157 0.000 1.117 859 V CB 0.287 32.244 31.823 0.223 0.000 0.818 859 V HN 0.349 nan 8.190 nan 0.000 0.451 860 A N 0.290 123.178 122.820 0.113 0.000 1.927 860 A HA -0.315 4.004 4.320 -0.001 0.000 0.220 860 A C 2.208 179.680 177.584 -0.186 0.000 1.185 860 A CA 2.416 54.360 52.037 -0.155 0.000 0.639 860 A CB -0.373 18.580 19.000 -0.078 0.000 0.820 860 A HN 0.608 nan 8.150 nan 0.000 0.451 861 E N -0.910 119.275 120.200 -0.025 0.000 2.031 861 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 861 E C 2.187 178.765 176.600 -0.037 0.000 0.994 861 E CA 0.974 57.362 56.400 -0.020 0.000 0.800 861 E CB -0.453 29.274 29.700 0.045 0.000 0.752 861 E HN 0.519 nan 8.360 nan 0.000 0.447 862 G N 0.422 109.223 108.800 0.001 0.000 2.442 862 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.219 862 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.219 862 G C 1.604 176.506 174.900 0.003 0.000 1.141 862 G CA 1.114 46.224 45.100 0.016 0.000 0.763 862 G HN 0.248 nan 8.290 nan 0.000 0.554 863 V N 0.400 120.297 119.914 -0.029 0.000 2.548 863 V HA -0.084 4.036 4.120 -0.001 0.000 0.249 863 V C 2.492 178.539 176.094 -0.080 0.000 1.055 863 V CA 1.663 63.944 62.300 -0.032 0.000 1.065 863 V CB -0.345 31.431 31.823 -0.077 0.000 0.681 863 V HN 0.416 nan 8.190 nan 0.000 0.462 864 E N 0.235 120.346 120.200 -0.148 0.000 2.204 864 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 864 E C 2.147 178.713 176.600 -0.057 0.000 0.989 864 E CA 0.683 57.001 56.400 -0.137 0.000 0.824 864 E CB -0.082 29.513 29.700 -0.175 0.000 0.756 864 E HN 0.563 nan 8.360 nan 0.000 0.477 865 K N 0.471 120.851 120.400 -0.033 0.000 2.280 865 K HA -0.055 4.264 4.320 -0.001 0.000 0.202 865 K C 1.615 178.226 176.600 0.018 0.000 1.047 865 K CA 0.535 56.820 56.287 -0.004 0.000 0.942 865 K CB 0.057 32.559 32.500 0.004 0.000 0.739 865 K HN 0.181 nan 8.250 nan 0.000 0.457 866 L N 0.291 121.532 121.223 0.030 0.000 2.645 866 L HA 0.067 4.407 4.340 -0.001 0.000 0.235 866 L C 0.742 177.658 176.870 0.076 0.000 1.150 866 L CA 0.323 55.197 54.840 0.057 0.000 0.911 866 L CB -0.492 41.612 42.059 0.076 0.000 1.077 866 L HN 0.366 nan 8.230 nan 0.000 0.438 867 G N 0.568 109.408 108.800 0.067 0.000 2.203 867 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.231 867 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.231 867 G C -0.395 174.620 174.900 0.191 0.000 1.058 867 G CA 0.226 45.390 45.100 0.107 0.000 0.781 867 G HN 0.205 nan 8.290 nan 0.000 0.496 868 V N -0.595 119.375 119.914 0.094 0.000 3.114 868 V HA 0.890 5.010 4.120 -0.001 0.000 0.308 868 V C -0.710 175.244 176.094 -0.233 0.000 1.168 868 V CA -1.363 60.974 62.300 0.062 0.000 1.015 868 V CB 2.054 33.973 31.823 0.160 0.000 1.050 868 V HN 0.308 nan 8.190 nan 0.000 0.433 869 R N 2.206 122.412 120.500 -0.489 0.000 2.460 869 R HA 0.605 4.944 4.340 -0.001 0.000 0.303 869 R C -0.454 175.583 176.300 -0.437 0.000 0.968 869 R CA -0.218 55.515 56.100 -0.611 0.000 0.889 869 R CB 1.719 31.404 30.300 -1.025 0.000 1.123 869 R HN 0.986 nan 8.270 nan 0.000 0.455 870 T N -0.425 113.856 114.554 -0.454 0.000 2.918 870 T HA 0.699 5.048 4.350 -0.001 0.000 0.286 870 T C -0.338 174.203 174.700 -0.265 0.000 1.026 870 T CA -0.507 61.426 62.100 -0.278 0.000 1.031 870 T CB 0.947 69.464 68.868 -0.584 0.000 1.046 870 T HN 0.217 nan 8.240 nan 0.000 0.479 871 F N 1.184 121.134 119.950 0.000 0.000 2.522 871 F HA 0.633 5.160 4.527 -0.001 0.000 0.324 871 F C 1.035 176.873 175.800 0.064 0.000 1.077 871 F CA -1.051 56.977 58.000 0.047 0.000 0.944 871 F CB 1.956 41.026 39.000 0.118 0.000 1.175 871 F HN 0.883 nan 8.300 nan 0.000 0.468 872 S N 1.224 117.048 115.700 0.206 0.000 2.632 872 S HA 0.195 4.664 4.470 -0.001 0.000 0.267 872 S C 0.777 175.497 174.600 0.200 0.000 1.276 872 S CA -0.583 57.718 58.200 0.167 0.000 0.998 872 S CB 1.075 64.332 63.200 0.095 0.000 0.953 872 S HN 0.736 nan 8.310 nan 0.000 0.547 873 Q N 0.994 120.890 119.800 0.159 0.000 2.002 873 Q HA -0.240 4.100 4.340 -0.001 0.000 0.204 873 Q C 2.441 178.532 176.000 0.152 0.000 0.988 873 Q CA 2.130 58.016 55.803 0.137 0.000 0.843 873 Q CB -0.526 28.269 28.738 0.095 0.000 0.908 873 Q HN 0.938 nan 8.270 nan 0.000 0.420 874 Q N 0.860 120.748 119.800 0.147 0.000 2.173 874 Q HA -0.235 4.104 4.340 -0.001 0.000 0.208 874 Q C 1.694 177.877 176.000 0.305 0.000 0.989 874 Q CA 1.628 57.538 55.803 0.178 0.000 0.872 874 Q CB -0.399 28.433 28.738 0.156 0.000 0.909 874 Q HN 0.490 nan 8.270 nan 0.000 0.420 875 E N 0.765 121.152 120.200 0.311 0.000 2.006 875 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 875 E C 1.973 178.855 176.600 0.469 0.000 0.993 875 E CA 1.413 58.039 56.400 0.377 0.000 0.808 875 E CB -0.184 29.581 29.700 0.110 0.000 0.764 875 E HN 0.242 nan 8.360 nan 0.000 0.449 876 M N 1.063 120.866 119.600 0.338 0.000 2.346 876 M HA -0.113 4.366 4.480 -0.001 0.000 0.263 876 M C 1.849 178.258 176.300 0.181 0.000 1.064 876 M CA 1.347 56.763 55.300 0.192 0.000 1.083 876 M CB -0.143 32.500 32.600 0.071 0.000 1.399 876 M HN 0.105 nan 8.290 nan 0.000 0.435 877 A N -0.498 122.445 122.820 0.205 0.000 1.872 877 A HA -0.088 4.231 4.320 -0.001 0.000 0.214 877 A C 2.015 179.755 177.584 0.261 0.000 1.187 877 A CA 1.377 53.498 52.037 0.141 0.000 0.614 877 A CB -1.269 17.774 19.000 0.071 0.000 0.826 877 A HN 0.596 nan 8.150 nan 0.000 0.442 878 F N 2.291 122.403 119.950 0.269 0.000 2.063 878 F HA -0.294 4.232 4.527 -0.001 0.000 0.298 878 F C 1.811 177.854 175.800 0.405 0.000 1.109 878 F CA 2.256 60.510 58.000 0.424 0.000 1.212 878 F CB -0.816 38.484 39.000 0.499 0.000 0.973 878 F HN 0.267 nan 8.300 nan 0.000 0.480 879 N N 0.726 119.541 118.700 0.192 0.000 2.061 879 N HA -0.206 4.533 4.740 -0.001 0.000 0.193 879 N C 2.025 177.613 175.510 0.130 0.000 1.030 879 N CA 1.948 55.061 53.050 0.104 0.000 0.856 879 N CB -0.777 37.834 38.487 0.206 0.000 1.023 879 N HN 0.382 nan 8.380 nan 0.000 0.424 880 L N 0.144 121.440 121.223 0.121 0.000 1.994 880 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 880 L C 1.970 178.920 176.870 0.133 0.000 1.071 880 L CA 0.823 55.720 54.840 0.095 0.000 0.745 880 L CB -0.487 41.615 42.059 0.071 0.000 0.892 880 L HN 0.125 nan 8.230 nan 0.000 0.431 881 L N -0.303 121.023 121.223 0.171 0.000 2.349 881 L HA -0.165 4.175 4.340 -0.001 0.000 0.220 881 L C 2.546 179.614 176.870 0.331 0.000 1.130 881 L CA 1.098 56.109 54.840 0.286 0.000 0.791 881 L CB -1.070 41.218 42.059 0.381 0.000 0.918 881 L HN 0.323 nan 8.230 nan 0.000 0.444 882 G N 0.454 109.397 108.800 0.240 0.000 2.418 882 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 882 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 882 G C 1.476 176.565 174.900 0.317 0.000 1.158 882 G CA 0.642 45.918 45.100 0.293 0.000 0.771 882 G HN 0.383 nan 8.290 nan 0.000 0.545 883 L N 0.151 121.483 121.223 0.182 0.000 2.465 883 L HA 0.132 4.471 4.340 -0.001 0.000 0.224 883 L C 2.631 179.616 176.870 0.193 0.000 1.145 883 L CA 0.225 55.111 54.840 0.076 0.000 0.834 883 L CB -0.467 41.558 42.059 -0.055 0.000 0.944 883 L HN 0.177 nan 8.230 nan 0.000 0.451 884 M N 0.475 120.260 119.600 0.308 0.000 2.447 884 M HA 0.142 4.621 4.480 -0.001 0.000 0.264 884 M C 1.314 177.908 176.300 0.490 0.000 1.095 884 M CA 0.209 55.825 55.300 0.526 0.000 1.125 884 M CB -0.482 32.467 32.600 0.581 0.000 1.389 884 M HN 0.217 nan 8.290 nan 0.000 0.459 885 A N 2.007 125.015 122.820 0.313 0.000 2.520 885 A HA 0.118 4.437 4.320 -0.001 0.000 0.235 885 A C -1.391 176.291 177.584 0.163 0.000 1.065 885 A CA -0.831 51.317 52.037 0.186 0.000 0.764 885 A CB -0.480 18.610 19.000 0.150 0.000 1.002 885 A HN 0.125 nan 8.150 nan 0.000 0.502 886 P HA -0.242 nan 4.420 nan 0.000 0.217 886 P C 1.686 179.037 177.300 0.085 0.000 1.151 886 P CA 2.400 65.554 63.100 0.091 0.000 0.849 886 P CB 0.037 31.771 31.700 0.058 0.000 0.787 887 A N -0.385 122.489 122.820 0.089 0.000 1.859 887 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 887 A C 2.292 179.933 177.584 0.095 0.000 1.209 887 A CA 2.020 54.111 52.037 0.091 0.000 0.639 887 A CB -1.670 17.392 19.000 0.104 0.000 0.835 887 A HN 0.121 nan 8.150 nan 0.000 0.450 888 I N -0.585 120.055 120.570 0.116 0.000 2.315 888 I HA -0.192 3.977 4.170 -0.001 0.000 0.248 888 I C 2.373 178.529 176.117 0.065 0.000 1.117 888 I CA 0.888 62.246 61.300 0.097 0.000 1.404 888 I CB -0.203 37.858 38.000 0.102 0.000 1.071 888 I HN 0.178 nan 8.210 nan 0.000 0.419 889 V N 1.332 121.291 119.914 0.074 0.000 2.278 889 V HA -0.374 3.745 4.120 -0.001 0.000 0.251 889 V C 2.027 178.139 176.094 0.030 0.000 1.062 889 V CA 2.205 64.530 62.300 0.042 0.000 1.038 889 V CB -0.846 31.000 31.823 0.039 0.000 0.646 889 V HN 0.522 nan 8.190 nan 0.000 0.447 890 N N -0.270 118.456 118.700 0.043 0.000 2.381 890 N HA -0.048 4.692 4.740 -0.001 0.000 0.182 890 N C 1.776 177.307 175.510 0.035 0.000 1.025 890 N CA 1.073 54.147 53.050 0.041 0.000 0.888 890 N CB -0.069 38.446 38.487 0.047 0.000 0.965 890 N HN 0.440 nan 8.380 nan 0.000 0.438 891 L N 0.273 121.515 121.223 0.032 0.000 2.056 891 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 891 L C 2.520 179.374 176.870 -0.027 0.000 1.078 891 L CA 0.833 55.685 54.840 0.020 0.000 0.749 891 L CB -0.546 41.535 42.059 0.036 0.000 0.901 891 L HN 0.218 nan 8.230 nan 0.000 0.433 892 C N -0.228 119.048 119.300 -0.040 0.000 2.425 892 C HA -0.149 4.310 4.460 -0.001 0.000 0.277 892 C C 2.797 177.707 174.990 -0.132 0.000 1.280 892 C CA 0.620 59.566 59.018 -0.119 0.000 1.744 892 C CB -0.771 26.927 27.740 -0.070 0.000 1.989 892 C HN 0.530 nan 8.230 nan 0.000 0.491 893 Q N 0.692 120.494 119.800 0.003 0.000 2.364 893 Q HA -0.128 4.211 4.340 -0.001 0.000 0.209 893 Q C 2.183 178.280 176.000 0.163 0.000 0.977 893 Q CA 1.804 57.676 55.803 0.115 0.000 0.885 893 Q CB -0.087 28.708 28.738 0.094 0.000 0.941 893 Q HN 0.890 nan 8.270 nan 0.000 0.464 894 S N -1.323 114.405 115.700 0.046 0.000 2.599 894 S HA 0.105 4.574 4.470 -0.001 0.000 0.236 894 S C 0.210 174.775 174.600 -0.058 0.000 1.077 894 S CA -0.251 58.004 58.200 0.092 0.000 0.906 894 S CB 0.693 63.939 63.200 0.078 0.000 0.804 894 S HN 0.003 nan 8.310 nan 0.000 0.497 895 D N 1.893 122.153 120.400 -0.233 0.000 2.977 895 D HA 0.472 5.112 4.640 -0.001 0.000 0.220 895 D C -3.164 172.914 176.300 -0.370 0.000 1.267 895 D CA -1.370 52.458 54.000 -0.286 0.000 0.884 895 D CB 2.080 42.881 40.800 0.001 0.000 1.667 895 D HN -0.003 nan 8.370 nan 0.000 0.536 896 P HA -0.027 nan 4.420 nan 0.000 0.267 896 P C -0.488 176.814 177.300 0.002 0.000 1.195 896 P CA -0.057 62.874 63.100 -0.281 0.000 0.773 896 P CB 0.692 32.320 31.700 -0.120 0.000 0.837 897 V N 3.891 123.827 119.914 0.036 0.000 2.540 897 V HA 0.382 4.502 4.120 -0.001 0.000 0.302 897 V C -0.356 175.733 176.094 -0.009 0.000 1.035 897 V CA -0.470 61.855 62.300 0.042 0.000 0.873 897 V CB 1.236 33.056 31.823 -0.006 0.000 0.992 897 V HN 0.401 nan 8.190 nan 0.000 0.428 898 F N 3.610 123.408 119.950 -0.254 0.000 2.421 898 F HA 0.748 5.275 4.527 -0.001 0.000 0.337 898 F C 0.322 175.979 175.800 -0.238 0.000 1.105 898 F CA -0.387 57.349 58.000 -0.440 0.000 1.049 898 F CB 1.423 39.883 39.000 -0.901 0.000 1.139 898 F HN 0.530 nan 8.300 nan 0.000 0.479 899 A N 5.015 127.817 122.820 -0.030 0.000 2.745 899 A HA 0.211 4.531 4.320 -0.001 0.000 0.301 899 A C -1.231 176.300 177.584 -0.087 0.000 1.188 899 A CA -0.665 51.314 52.037 -0.097 0.000 0.746 899 A CB 0.226 19.072 19.000 -0.257 0.000 1.207 899 A HN 0.650 nan 8.150 nan 0.000 0.432 900 D N 3.281 123.627 120.400 -0.090 0.000 2.357 900 D HA 0.101 4.741 4.640 -0.001 0.000 0.265 900 D C 0.217 176.417 176.300 -0.167 0.000 1.334 900 D CA 0.231 54.130 54.000 -0.169 0.000 0.984 900 D CB 0.351 40.850 40.800 -0.503 0.000 1.077 900 D HN 0.540 nan 8.370 nan 0.000 0.514 901 L N 3.237 124.408 121.223 -0.087 0.000 2.912 901 L HA 0.169 4.508 4.340 -0.001 0.000 0.240 901 L C 0.694 177.511 176.870 -0.088 0.000 1.262 901 L CA -0.484 54.315 54.840 -0.068 0.000 1.058 901 L CB -0.506 41.480 42.059 -0.121 0.000 1.383 901 L HN 0.148 nan 8.230 nan 0.000 0.512 902 N N 0.882 119.612 118.700 0.050 0.000 2.499 902 N HA 0.158 4.897 4.740 -0.001 0.000 0.281 902 N C 1.094 176.830 175.510 0.377 0.000 1.098 902 N CA -0.129 53.019 53.050 0.164 0.000 0.979 902 N CB 1.872 40.452 38.487 0.155 0.000 1.121 902 N HN 0.152 nan 8.380 nan 0.000 0.466 903 G N 1.457 110.582 108.800 0.541 0.000 3.286 903 G HA2 0.196 4.156 3.960 -0.001 0.000 0.213 903 G HA3 0.196 4.156 3.960 -0.001 0.000 0.213 903 G C 0.955 176.105 174.900 0.416 0.000 1.274 903 G CA 0.175 45.564 45.100 0.481 0.000 1.218 903 G HN 1.062 nan 8.290 nan 0.000 0.504 904 G N -0.666 108.494 108.800 0.599 0.000 2.153 904 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.252 904 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.252 904 G C 1.045 176.249 174.900 0.506 0.000 0.994 904 G CA 0.413 45.929 45.100 0.694 0.000 0.698 904 G HN 0.522 nan 8.290 nan 0.000 0.521 905 L N -0.182 121.255 121.223 0.357 0.000 2.633 905 L HA -0.000 4.339 4.340 -0.001 0.000 0.235 905 L C 2.690 179.674 176.870 0.189 0.000 1.163 905 L CA 1.556 56.574 54.840 0.296 0.000 0.859 905 L CB -0.139 42.113 42.059 0.322 0.000 0.973 905 L HN 0.381 nan 8.230 nan 0.000 0.451 906 Q N -0.972 118.857 119.800 0.047 0.000 2.226 906 Q HA -0.143 4.197 4.340 -0.001 0.000 0.204 906 Q C 1.486 177.351 176.000 -0.225 0.000 0.975 906 Q CA 1.543 57.242 55.803 -0.173 0.000 0.866 906 Q CB -0.236 28.256 28.738 -0.411 0.000 0.915 906 Q HN 0.430 nan 8.270 nan 0.000 0.440 907 F N 0.010 120.050 119.950 0.149 0.000 2.754 907 F HA 0.209 4.735 4.527 -0.001 0.000 0.297 907 F C 0.495 176.360 175.800 0.108 0.000 1.122 907 F CA -0.234 57.836 58.000 0.116 0.000 1.400 907 F CB 0.196 39.264 39.000 0.113 0.000 1.117 907 F HN -0.068 nan 8.300 nan 0.000 0.587 908 I N 2.975 123.699 120.570 0.257 0.000 2.281 908 I HA 0.230 4.400 4.170 -0.001 0.000 0.293 908 I C -2.349 173.845 176.117 0.128 0.000 1.085 908 I CA -1.902 59.511 61.300 0.187 0.000 1.257 908 I CB 0.006 38.120 38.000 0.192 0.000 1.430 908 I HN -0.219 nan 8.210 nan 0.000 0.489 909 P HA 0.143 nan 4.420 nan 0.000 0.276 909 P C 0.012 177.329 177.300 0.030 0.000 1.244 909 P CA -0.182 62.953 63.100 0.058 0.000 0.801 909 P CB 0.518 32.253 31.700 0.058 0.000 1.006 910 D N -0.216 120.176 120.400 -0.013 0.000 2.708 910 D HA -0.149 4.490 4.640 -0.001 0.000 0.236 910 D C 0.731 176.989 176.300 -0.069 0.000 1.146 910 D CA 0.176 54.144 54.000 -0.054 0.000 0.662 910 D CB -0.670 40.116 40.800 -0.024 0.000 1.059 910 D HN 0.176 nan 8.370 nan 0.000 0.428 911 L N 1.000 122.176 121.223 -0.078 0.000 2.042 911 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 911 L C 2.341 179.109 176.870 -0.171 0.000 1.076 911 L CA 2.729 57.552 54.840 -0.028 0.000 0.749 911 L CB -0.788 41.322 42.059 0.085 0.000 0.893 911 L HN 0.177 nan 8.230 nan 0.000 0.432 912 K N -0.089 119.973 120.400 -0.562 0.000 2.052 912 K HA -0.173 4.147 4.320 -0.001 0.000 0.215 912 K C 1.991 178.471 176.600 -0.199 0.000 1.053 912 K CA 2.102 58.001 56.287 -0.646 0.000 0.934 912 K CB -1.293 30.786 32.500 -0.702 0.000 0.717 912 K HN 0.430 nan 8.250 nan 0.000 0.450 913 G N 0.638 109.356 108.800 -0.136 0.000 2.402 913 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 913 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 913 G C 1.466 176.367 174.900 0.001 0.000 1.162 913 G CA 0.866 45.937 45.100 -0.048 0.000 0.777 913 G HN 0.354 nan 8.290 nan 0.000 0.539 914 L N 0.956 122.191 121.223 0.020 0.000 1.971 914 L HA -0.130 4.210 4.340 -0.001 0.000 0.215 914 L C 2.901 179.827 176.870 0.093 0.000 1.072 914 L CA 2.280 57.160 54.840 0.066 0.000 0.758 914 L CB -0.553 41.565 42.059 0.098 0.000 0.889 914 L HN 0.324 nan 8.230 nan 0.000 0.433 915 M N -0.937 118.739 119.600 0.127 0.000 2.108 915 M HA -0.172 4.307 4.480 -0.001 0.000 0.261 915 M C 2.129 178.495 176.300 0.109 0.000 1.066 915 M CA 2.294 57.693 55.300 0.165 0.000 1.107 915 M CB -1.447 31.285 32.600 0.221 0.000 1.356 915 M HN 0.577 nan 8.290 nan 0.000 0.406 916 T N -0.828 113.770 114.554 0.075 0.000 2.803 916 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 916 T C 1.664 176.392 174.700 0.048 0.000 1.052 916 T CA 1.320 63.452 62.100 0.054 0.000 1.136 916 T CB -0.307 68.580 68.868 0.032 0.000 0.864 916 T HN 0.429 nan 8.240 nan 0.000 0.467 917 K N 0.931 121.360 120.400 0.049 0.000 1.984 917 K HA 0.174 4.493 4.320 -0.001 0.000 0.209 917 K C 2.338 178.970 176.600 0.052 0.000 1.046 917 K CA 1.136 57.450 56.287 0.045 0.000 0.934 917 K CB -0.499 32.027 32.500 0.042 0.000 0.717 917 K HN 0.218 nan 8.250 nan 0.000 0.438 918 L N 1.063 122.326 121.223 0.067 0.000 2.043 918 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 918 L C 2.661 179.572 176.870 0.068 0.000 1.075 918 L CA 1.164 56.047 54.840 0.073 0.000 0.752 918 L CB -0.334 41.784 42.059 0.097 0.000 0.891 918 L HN 0.168 nan 8.230 nan 0.000 0.432 919 R N 0.207 120.750 120.500 0.072 0.000 2.113 919 R HA -0.238 4.101 4.340 -0.001 0.000 0.244 919 R C 2.250 178.577 176.300 0.045 0.000 1.142 919 R CA 1.874 58.009 56.100 0.059 0.000 0.953 919 R CB -0.364 29.970 30.300 0.056 0.000 0.860 919 R HN 0.365 nan 8.270 nan 0.000 0.438 920 K N 0.804 121.229 120.400 0.042 0.000 1.967 920 K HA -0.185 4.134 4.320 -0.001 0.000 0.212 920 K C 2.076 178.696 176.600 0.033 0.000 1.044 920 K CA 1.933 58.240 56.287 0.034 0.000 0.942 920 K CB -0.146 32.372 32.500 0.030 0.000 0.726 920 K HN 0.279 nan 8.250 nan 0.000 0.440 921 E N 0.801 121.022 120.200 0.035 0.000 2.136 921 E HA -0.283 4.066 4.350 -0.001 0.000 0.208 921 E C 1.945 178.566 176.600 0.034 0.000 1.035 921 E CA 2.145 58.565 56.400 0.033 0.000 0.838 921 E CB -0.750 28.972 29.700 0.036 0.000 0.748 921 E HN 0.406 nan 8.360 nan 0.000 0.459 922 I N 0.197 120.791 120.570 0.039 0.000 2.113 922 I HA -0.258 3.912 4.170 -0.001 0.000 0.238 922 I C 2.661 178.799 176.117 0.035 0.000 1.070 922 I CA 1.220 62.544 61.300 0.040 0.000 1.332 922 I CB -0.385 37.643 38.000 0.047 0.000 1.044 922 I HN 0.194 nan 8.210 nan 0.000 0.402 923 M N 0.033 119.653 119.600 0.033 0.000 2.202 923 M HA -0.223 4.256 4.480 -0.001 0.000 0.262 923 M C 2.142 178.458 176.300 0.026 0.000 1.063 923 M CA 1.623 56.940 55.300 0.028 0.000 1.097 923 M CB -1.209 31.407 32.600 0.026 0.000 1.382 923 M HN 0.321 nan 8.290 nan 0.000 0.413 924 E N -0.092 120.123 120.200 0.026 0.000 2.046 924 E HA -0.145 4.205 4.350 -0.001 0.000 0.190 924 E C 1.891 178.505 176.600 0.022 0.000 0.982 924 E CA 1.854 58.268 56.400 0.023 0.000 0.800 924 E CB 0.192 29.905 29.700 0.023 0.000 0.756 924 E HN 0.610 nan 8.360 nan 0.000 0.449 925 T N -0.974 113.595 114.554 0.024 0.000 2.821 925 T HA -0.150 4.199 4.350 -0.001 0.000 0.267 925 T C 2.157 176.871 174.700 0.023 0.000 1.046 925 T CA 1.446 63.560 62.100 0.023 0.000 1.139 925 T CB -0.408 68.475 68.868 0.025 0.000 0.871 925 T HN 0.148 nan 8.240 nan 0.000 0.454 926 S N 2.556 118.272 115.700 0.025 0.000 2.355 926 S HA 0.072 4.541 4.470 -0.001 0.000 0.222 926 S C 2.495 177.109 174.600 0.022 0.000 1.031 926 S CA 0.987 59.202 58.200 0.025 0.000 0.993 926 S CB -1.042 62.175 63.200 0.028 0.000 0.859 926 S HN 0.730 nan 8.310 nan 0.000 0.453 927 A N 2.310 125.143 122.820 0.021 0.000 1.859 927 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 927 A C 2.272 179.867 177.584 0.018 0.000 1.198 927 A CA 1.793 53.842 52.037 0.019 0.000 0.629 927 A CB -1.164 17.847 19.000 0.018 0.000 0.830 927 A HN 0.613 nan 8.150 nan 0.000 0.446 928 I N -1.151 119.430 120.570 0.017 0.000 2.113 928 I HA -0.341 3.828 4.170 -0.001 0.000 0.242 928 I C 2.782 178.909 176.117 0.016 0.000 1.064 928 I CA 2.130 63.440 61.300 0.016 0.000 1.320 928 I CB -0.347 37.662 38.000 0.016 0.000 1.028 928 I HN 0.376 nan 8.210 nan 0.000 0.406 929 R N 0.793 121.303 120.500 0.017 0.000 2.083 929 R HA -0.233 4.107 4.340 -0.001 0.000 0.237 929 R C 2.402 178.712 176.300 0.017 0.000 1.137 929 R CA 1.985 58.096 56.100 0.017 0.000 0.951 929 R CB -0.167 30.144 30.300 0.019 0.000 0.851 929 R HN 0.574 nan 8.270 nan 0.000 0.434 930 Q N -1.241 118.570 119.800 0.018 0.000 2.331 930 Q HA 0.077 4.416 4.340 -0.001 0.000 0.203 930 Q C 1.767 177.777 176.000 0.016 0.000 0.944 930 Q CA 0.886 56.700 55.803 0.018 0.000 0.892 930 Q CB 0.098 28.847 28.738 0.019 0.000 0.983 930 Q HN 0.293 nan 8.270 nan 0.000 0.482 931 A N 1.522 124.352 122.820 0.016 0.000 1.854 931 A HA -0.067 4.253 4.320 -0.001 0.000 0.214 931 A C 2.359 179.951 177.584 0.013 0.000 1.192 931 A CA 1.227 53.272 52.037 0.014 0.000 0.611 931 A CB -0.882 18.126 19.000 0.014 0.000 0.832 931 A HN 0.194 nan 8.150 nan 0.000 0.442 932 V N 0.595 120.517 119.914 0.013 0.000 2.278 932 V HA -0.347 3.773 4.120 -0.001 0.000 0.251 932 V C 2.456 178.557 176.094 0.012 0.000 1.062 932 V CA 2.336 64.644 62.300 0.012 0.000 1.038 932 V CB -0.760 31.070 31.823 0.012 0.000 0.646 932 V HN 0.587 nan 8.190 nan 0.000 0.447 933 I N -0.646 119.933 120.570 0.014 0.000 2.118 933 I HA -0.316 3.854 4.170 -0.001 0.000 0.241 933 I C 2.565 178.691 176.117 0.015 0.000 1.070 933 I CA 1.863 63.172 61.300 0.015 0.000 1.327 933 I CB -0.575 37.435 38.000 0.017 0.000 1.034 933 I HN 0.258 nan 8.210 nan 0.000 0.405 934 K N 0.274 120.683 120.400 0.015 0.000 2.103 934 K HA -0.194 4.126 4.320 -0.001 0.000 0.207 934 K C 2.112 178.720 176.600 0.013 0.000 1.048 934 K CA 1.175 57.471 56.287 0.015 0.000 0.930 934 K CB -0.140 32.369 32.500 0.015 0.000 0.716 934 K HN 0.295 nan 8.250 nan 0.000 0.444 935 E N 0.164 120.371 120.200 0.011 0.000 2.007 935 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 935 E C 2.182 178.787 176.600 0.007 0.000 0.999 935 E CA 2.032 58.438 56.400 0.009 0.000 0.811 935 E CB -0.512 29.193 29.700 0.008 0.000 0.762 935 E HN 0.447 nan 8.360 nan 0.000 0.450 936 T N -0.617 113.942 114.554 0.007 0.000 2.929 936 T HA 0.006 4.355 4.350 -0.001 0.000 0.271 936 T C 1.966 176.669 174.700 0.007 0.000 1.085 936 T CA 1.283 63.386 62.100 0.005 0.000 1.125 936 T CB -0.135 68.736 68.868 0.005 0.000 0.874 936 T HN 0.159 nan 8.240 nan 0.000 0.494 937 A N 1.553 124.380 122.820 0.012 0.000 1.897 937 A HA 0.202 4.521 4.320 -0.001 0.000 0.215 937 A C 2.355 179.948 177.584 0.014 0.000 1.181 937 A CA 0.997 53.043 52.037 0.016 0.000 0.620 937 A CB -0.700 18.312 19.000 0.020 0.000 0.821 937 A HN 0.553 nan 8.150 nan 0.000 0.443 938 I N -0.296 120.281 120.570 0.012 0.000 2.315 938 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 938 I C 2.423 178.543 176.117 0.004 0.000 1.117 938 I CA 1.425 62.731 61.300 0.010 0.000 1.404 938 I CB -0.448 37.558 38.000 0.009 0.000 1.071 938 I HN 0.441 nan 8.210 nan 0.000 0.419 939 E N 0.825 121.025 120.200 0.000 0.000 2.085 939 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 939 E C 1.793 178.384 176.600 -0.015 0.000 0.994 939 E CA 1.415 57.811 56.400 -0.007 0.000 0.801 939 E CB -0.181 29.514 29.700 -0.008 0.000 0.743 939 E HN 0.479 nan 8.360 nan 0.000 0.453 940 N N 0.730 119.422 118.700 -0.013 0.000 2.188 940 N HA -0.102 4.638 4.740 -0.001 0.000 0.184 940 N C 1.359 176.857 175.510 -0.020 0.000 1.018 940 N CA 0.897 53.931 53.050 -0.026 0.000 0.858 940 N CB -0.010 38.469 38.487 -0.013 0.000 0.989 940 N HN 0.108 nan 8.380 nan 0.000 0.426 941 K N 0.139 120.540 120.400 0.002 0.000 2.211 941 K HA 0.011 4.330 4.320 -0.001 0.000 0.203 941 K C 1.670 178.271 176.600 0.002 0.000 1.050 941 K CA 0.590 56.885 56.287 0.013 0.000 0.945 941 K CB 0.046 32.559 32.500 0.022 0.000 0.732 941 K HN 0.036 nan 8.250 nan 0.000 0.451 942 V N 0.771 120.681 119.914 -0.007 0.000 2.255 942 V HA -0.186 3.933 4.120 -0.001 0.000 0.243 942 V C 2.302 178.381 176.094 -0.024 0.000 1.038 942 V CA 1.300 63.594 62.300 -0.011 0.000 1.008 942 V CB -0.330 31.487 31.823 -0.010 0.000 0.645 942 V HN 0.011 nan 8.190 nan 0.000 0.449 943 V N 1.024 120.914 119.914 -0.039 0.000 2.295 943 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 943 V C 2.192 178.232 176.094 -0.088 0.000 1.049 943 V CA 2.342 64.606 62.300 -0.060 0.000 1.024 943 V CB -0.781 30.999 31.823 -0.071 0.000 0.648 943 V HN 0.572 nan 8.190 nan 0.000 0.447 944 N N -0.308 118.321 118.700 -0.117 0.000 2.415 944 N HA 0.228 4.968 4.740 -0.001 0.000 0.176 944 N C 0.850 176.325 175.510 -0.059 0.000 1.042 944 N CA 1.020 53.954 53.050 -0.194 0.000 0.902 944 N CB 0.326 38.586 38.487 -0.379 0.000 0.986 944 N HN 0.579 nan 8.380 nan 0.000 0.447 945 G N 0.849 109.643 108.800 -0.011 0.000 2.692 945 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.686 945 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.686 945 G C 0.273 175.211 174.900 0.063 0.000 1.243 945 G CA -0.275 44.842 45.100 0.029 0.000 0.782 945 G HN 0.000 nan 8.290 nan 0.000 0.625 946 E N 0.334 120.567 120.200 0.055 0.000 2.065 946 E HA -0.106 4.244 4.350 -0.001 0.000 0.201 946 E C 2.168 178.820 176.600 0.087 0.000 1.016 946 E CA 2.211 58.648 56.400 0.062 0.000 0.818 946 E CB -0.137 29.590 29.700 0.046 0.000 0.749 946 E HN 0.593 nan 8.360 nan 0.000 0.453 947 D N -0.919 119.535 120.400 0.090 0.000 2.092 947 D HA -0.183 4.457 4.640 -0.001 0.000 0.193 947 D C 1.927 178.319 176.300 0.155 0.000 0.994 947 D CA 1.310 55.371 54.000 0.102 0.000 0.828 947 D CB -0.557 40.295 40.800 0.088 0.000 0.963 947 D HN 0.301 nan 8.370 nan 0.000 0.450 948 H N 1.183 120.298 119.070 0.076 0.000 2.253 948 H HA -0.099 4.456 4.556 -0.001 0.000 0.296 948 H C 1.798 177.188 175.328 0.104 0.000 1.074 948 H CA 1.565 57.656 56.048 0.072 0.000 1.263 948 H CB 0.185 29.914 29.762 -0.055 0.000 1.363 948 H HN 0.007 nan 8.280 nan 0.000 0.489 949 E N 0.621 121.003 120.200 0.304 0.000 2.118 949 E HA -0.117 4.232 4.350 -0.001 0.000 0.195 949 E C 2.349 179.061 176.600 0.187 0.000 0.992 949 E CA 0.946 57.484 56.400 0.231 0.000 0.804 949 E CB -0.524 29.259 29.700 0.137 0.000 0.741 949 E HN 0.558 nan 8.360 nan 0.000 0.458 950 A N 1.236 124.146 122.820 0.149 0.000 1.865 950 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 950 A C 2.186 179.831 177.584 0.103 0.000 1.191 950 A CA 1.244 53.344 52.037 0.105 0.000 0.623 950 A CB -0.755 18.290 19.000 0.075 0.000 0.826 950 A HN 0.254 nan 8.150 nan 0.000 0.444 951 L N -1.803 119.495 121.223 0.125 0.000 2.711 951 L HA -0.005 4.334 4.340 -0.001 0.000 0.242 951 L C 0.256 177.002 176.870 -0.206 0.000 1.153 951 L CA 0.486 55.312 54.840 -0.023 0.000 0.898 951 L CB -0.557 41.460 42.059 -0.071 0.000 1.044 951 L HN 0.512 nan 8.230 nan 0.000 0.437 952 Y N -0.339 119.923 120.300 -0.063 0.000 2.666 952 Y HA 0.338 4.888 4.550 -0.001 0.000 0.264 952 Y C 0.350 176.244 175.900 -0.010 0.000 1.054 952 Y CA -0.644 57.425 58.100 -0.051 0.000 1.121 952 Y CB 0.514 38.930 38.460 -0.075 0.000 1.190 952 Y HN 0.021 nan 8.280 nan 0.000 0.587 953 R N 0.674 121.223 120.500 0.081 0.000 2.445 953 R HA 0.429 4.769 4.340 -0.001 0.000 0.308 953 R C -0.185 176.131 176.300 0.026 0.000 0.961 953 R CA -1.059 55.078 56.100 0.061 0.000 0.862 953 R CB 1.500 31.834 30.300 0.056 0.000 1.144 953 R HN 0.171 nan 8.270 nan 0.000 0.447 954 R N 1.800 122.317 120.500 0.028 0.000 2.549 954 R HA -0.038 4.301 4.340 -0.001 0.000 0.336 954 R C -0.293 176.013 176.300 0.009 0.000 0.891 954 R CA 0.300 56.409 56.100 0.015 0.000 1.102 954 R CB 0.180 30.492 30.300 0.020 0.000 0.899 954 R HN 0.325 nan 8.270 nan 0.000 0.407 955 V N 7.151 127.065 119.914 -0.001 0.000 2.352 955 V HA 0.112 4.231 4.120 -0.001 0.000 0.253 955 V C 0.869 176.965 176.094 0.004 0.000 1.083 955 V CA -0.023 62.276 62.300 -0.001 0.000 0.993 955 V CB 0.036 31.851 31.823 -0.013 0.000 1.111 955 V HN 0.558 nan 8.190 nan 0.000 0.490 956 I N 4.933 125.509 120.570 0.010 0.000 2.396 956 I HA 0.168 4.337 4.170 -0.001 0.000 0.289 956 I C 1.116 177.242 176.117 0.014 0.000 1.056 956 I CA -0.043 61.265 61.300 0.013 0.000 1.365 956 I CB 1.239 39.249 38.000 0.016 0.000 1.407 956 I HN 0.641 nan 8.210 nan 0.000 0.509 957 T N 2.704 117.266 114.554 0.013 0.000 2.901 957 T HA 0.190 4.539 4.350 -0.001 0.000 0.301 957 T C -0.076 174.637 174.700 0.022 0.000 1.012 957 T CA -0.754 61.356 62.100 0.016 0.000 1.135 957 T CB 0.675 69.551 68.868 0.014 0.000 0.936 957 T HN 0.479 nan 8.240 nan 0.000 0.539 958 E N 3.210 123.425 120.200 0.026 0.000 2.200 958 E HA 0.319 4.669 4.350 -0.001 0.000 0.283 958 E C -2.183 174.440 176.600 0.038 0.000 1.015 958 E CA -1.908 54.511 56.400 0.032 0.000 0.819 958 E CB 0.553 30.274 29.700 0.036 0.000 1.081 958 E HN 0.533 nan 8.360 nan 0.000 0.397 959 P HA 0.102 nan 4.420 nan 0.000 0.268 959 P C -0.540 176.797 177.300 0.060 0.000 1.205 959 P CA 0.067 63.195 63.100 0.046 0.000 0.771 959 P CB 0.823 32.551 31.700 0.046 0.000 0.858 960 R N 0.932 121.471 120.500 0.065 0.000 3.006 960 R HA 0.860 5.199 4.340 -0.001 0.000 0.235 960 R C -0.894 175.465 176.300 0.099 0.000 1.362 960 R CA -1.141 55.011 56.100 0.088 0.000 1.067 960 R CB 1.674 32.020 30.300 0.075 0.000 1.396 960 R HN 0.492 nan 8.270 nan 0.000 0.504 961 A N 1.913 124.812 122.820 0.132 0.000 2.319 961 A HA 0.338 4.657 4.320 -0.001 0.000 0.310 961 A C -1.161 176.521 177.584 0.162 0.000 1.152 961 A CA -0.885 51.239 52.037 0.145 0.000 0.783 961 A CB 0.738 19.843 19.000 0.175 0.000 1.184 961 A HN 0.729 nan 8.150 nan 0.000 0.474 962 N N 2.931 121.717 118.700 0.143 0.000 2.408 962 N HA 0.356 5.095 4.740 -0.001 0.000 0.280 962 N C -1.408 174.231 175.510 0.216 0.000 1.002 962 N CA -0.482 52.672 53.050 0.174 0.000 0.907 962 N CB 1.332 39.892 38.487 0.121 0.000 1.161 962 N HN 0.446 nan 8.380 nan 0.000 0.488 963 L N 2.534 123.956 121.223 0.332 0.000 2.328 963 L HA 0.232 4.571 4.340 -0.001 0.000 0.280 963 L C 0.401 177.465 176.870 0.324 0.000 1.111 963 L CA -0.593 54.407 54.840 0.267 0.000 0.909 963 L CB 0.106 42.302 42.059 0.229 0.000 1.277 963 L HN 0.337 nan 8.230 nan 0.000 0.433 964 K N 2.660 123.188 120.400 0.214 0.000 2.451 964 K HA -0.021 4.298 4.320 -0.001 0.000 0.280 964 K C -0.498 176.177 176.600 0.125 0.000 1.020 964 K CA 0.005 56.423 56.287 0.218 0.000 1.008 964 K CB 0.394 32.950 32.500 0.094 0.000 0.917 964 K HN 0.302 nan 8.250 nan 0.000 0.478 965 Y N 4.773 125.134 120.300 0.100 0.000 2.691 965 Y HA 0.154 4.704 4.550 -0.001 0.000 0.338 965 Y C -2.119 173.730 175.900 -0.086 0.000 1.148 965 Y CA -2.533 55.515 58.100 -0.086 0.000 1.430 965 Y CB 0.358 38.742 38.460 -0.127 0.000 1.303 965 Y HN 0.470 nan 8.280 nan 0.000 0.499 966 P HA 0.054 nan 4.420 nan 0.000 0.276 966 P C -0.730 176.729 177.300 0.266 0.000 1.235 966 P CA 0.117 63.255 63.100 0.063 0.000 0.772 966 P CB 0.539 32.252 31.700 0.021 0.000 0.871 967 F N 3.444 123.447 119.950 0.088 0.000 2.362 967 F HA 0.398 4.924 4.527 -0.001 0.000 0.311 967 F C -1.571 174.173 175.800 -0.094 0.000 1.161 967 F CA -2.794 55.218 58.000 0.020 0.000 1.085 967 F CB -1.072 37.928 39.000 -0.001 0.000 1.311 967 F HN 0.193 nan 8.300 nan 0.000 0.524 968 P HA 0.029 nan 4.420 nan 0.000 0.265 968 P C -0.857 176.453 177.300 0.016 0.000 1.193 968 P CA 0.012 63.005 63.100 -0.178 0.000 0.765 968 P CB 0.195 31.630 31.700 -0.441 0.000 0.823 969 E N 2.108 122.342 120.200 0.056 0.000 2.406 969 E HA 0.022 4.372 4.350 -0.001 0.000 0.258 969 E C -0.297 176.391 176.600 0.147 0.000 1.043 969 E CA -0.160 56.302 56.400 0.103 0.000 0.929 969 E CB -0.000 29.769 29.700 0.116 0.000 0.969 969 E HN 0.330 nan 8.360 nan 0.000 0.462 970 L N 6.734 128.037 121.223 0.134 0.000 2.433 970 L HA 0.163 4.502 4.340 -0.001 0.000 0.275 970 L C -1.865 175.133 176.870 0.213 0.000 1.128 970 L CA -1.398 53.540 54.840 0.163 0.000 0.875 970 L CB -0.446 41.645 42.059 0.053 0.000 1.171 970 L HN 0.329 nan 8.230 nan 0.000 0.463 971 P HA 0.001 nan 4.420 nan 0.000 0.271 971 P C -0.838 176.575 177.300 0.189 0.000 1.238 971 P CA -0.390 62.837 63.100 0.212 0.000 0.794 971 P CB 0.422 32.244 31.700 0.204 0.000 0.959 972 D N -0.543 119.928 120.400 0.119 0.000 2.210 972 D HA 0.014 4.654 4.640 -0.001 0.000 0.249 972 D C 0.843 177.198 176.300 0.091 0.000 1.078 972 D CA -0.438 53.641 54.000 0.131 0.000 0.875 972 D CB 0.320 41.172 40.800 0.088 0.000 1.175 972 D HN 0.425 nan 8.370 nan 0.000 0.440 973 W N 3.540 124.823 121.300 -0.028 0.000 2.335 973 W HA -0.228 4.432 4.660 -0.001 0.000 0.311 973 W C 0.229 176.697 176.519 -0.084 0.000 1.213 973 W CA 1.463 58.739 57.345 -0.115 0.000 1.274 973 W CB 0.230 29.685 29.460 -0.008 0.000 1.148 973 W HN 0.517 nan 8.180 nan 0.000 0.498 974 D N -0.214 120.109 120.400 -0.128 0.000 2.146 974 D HA -0.122 4.517 4.640 -0.001 0.000 0.209 974 D C 2.208 178.379 176.300 -0.214 0.000 0.973 974 D CA 1.337 55.191 54.000 -0.242 0.000 0.860 974 D CB -0.468 40.302 40.800 -0.049 0.000 1.015 974 D HN 0.002 nan 8.370 nan 0.000 0.465 975 K N 0.289 120.624 120.400 -0.109 0.000 2.097 975 K HA -0.097 4.222 4.320 -0.001 0.000 0.206 975 K C 0.975 177.497 176.600 -0.130 0.000 1.049 975 K CA 1.120 57.350 56.287 -0.094 0.000 0.933 975 K CB 0.084 32.562 32.500 -0.036 0.000 0.717 975 K HN 0.203 nan 8.250 nan 0.000 0.442 976 D N -0.373 119.939 120.400 -0.146 0.000 2.463 976 D HA 0.115 4.755 4.640 -0.001 0.000 0.237 976 D C 1.912 178.064 176.300 -0.247 0.000 1.013 976 D CA 0.550 54.457 54.000 -0.156 0.000 0.910 976 D CB 0.578 41.329 40.800 -0.082 0.000 1.080 976 D HN 0.101 nan 8.370 nan 0.000 0.498 977 I N 0.382 120.748 120.570 -0.340 0.000 2.810 977 I HA -0.001 4.168 4.170 -0.001 0.000 0.262 977 I C 2.356 178.122 176.117 -0.584 0.000 1.131 977 I CA 0.103 61.148 61.300 -0.426 0.000 1.453 977 I CB -0.029 37.727 38.000 -0.406 0.000 1.161 977 I HN -0.212 nan 8.210 nan 0.000 0.444 978 K N 1.755 121.666 120.400 -0.816 0.000 2.059 978 K HA -0.176 4.144 4.320 -0.001 0.000 0.212 978 K C -0.680 175.682 176.600 -0.398 0.000 1.050 978 K CA 2.024 57.859 56.287 -0.752 0.000 0.927 978 K CB -0.892 31.191 32.500 -0.695 0.000 0.714 978 K HN 0.178 nan 8.250 nan 0.000 0.447 979 P HA -0.127 nan 4.420 nan 0.000 0.229 979 P C 0.463 177.656 177.300 -0.178 0.000 1.150 979 P CA 1.160 64.135 63.100 -0.208 0.000 0.765 979 P CB 0.119 31.709 31.700 -0.184 0.000 0.783 980 L N -2.370 118.725 121.223 -0.212 0.000 2.577 980 L HA 0.179 4.518 4.340 -0.001 0.000 0.225 980 L C 2.141 178.952 176.870 -0.099 0.000 1.053 980 L CA 0.220 54.967 54.840 -0.155 0.000 0.866 980 L CB -0.844 41.078 42.059 -0.229 0.000 1.132 980 L HN -0.165 nan 8.230 nan 0.000 0.486 981 N N 1.035 119.653 118.700 -0.136 0.000 2.091 981 N HA -0.261 4.479 4.740 -0.001 0.000 0.193 981 N C 1.401 176.904 175.510 -0.011 0.000 1.021 981 N CA 1.914 54.934 53.050 -0.049 0.000 0.862 981 N CB -0.087 38.352 38.487 -0.081 0.000 1.018 981 N HN 0.231 nan 8.380 nan 0.000 0.429 982 D N 0.260 120.635 120.400 -0.040 0.000 2.116 982 D HA -0.167 4.472 4.640 -0.001 0.000 0.193 982 D C 1.920 178.214 176.300 -0.011 0.000 0.998 982 D CA 1.127 55.115 54.000 -0.021 0.000 0.836 982 D CB -0.228 40.550 40.800 -0.036 0.000 0.951 982 D HN 0.548 nan 8.370 nan 0.000 0.449 983 Q N -0.464 119.328 119.800 -0.013 0.000 2.096 983 Q HA 0.073 4.412 4.340 -0.001 0.000 0.197 983 Q C 2.202 178.204 176.000 0.004 0.000 0.964 983 Q CA 0.548 56.349 55.803 -0.004 0.000 0.838 983 Q CB 0.209 28.951 28.738 0.006 0.000 0.906 983 Q HN 0.274 nan 8.270 nan 0.000 0.444 984 L N 0.164 121.400 121.223 0.021 0.000 2.585 984 L HA 0.142 4.481 4.340 -0.001 0.000 0.226 984 L C 0.915 177.809 176.870 0.039 0.000 1.113 984 L CA -0.198 54.664 54.840 0.035 0.000 0.876 984 L CB 0.138 42.250 42.059 0.088 0.000 1.072 984 L HN 0.073 nan 8.230 nan 0.000 0.468 985 R N 1.043 121.571 120.500 0.047 0.000 2.458 985 R HA 0.096 4.435 4.340 -0.001 0.000 0.303 985 R C 1.091 177.412 176.300 0.035 0.000 1.013 985 R CA 0.931 57.069 56.100 0.064 0.000 1.026 985 R CB 0.199 30.544 30.300 0.075 0.000 0.948 985 R HN 0.300 nan 8.270 nan 0.000 0.417 986 G N 4.611 113.435 108.800 0.039 0.000 2.180 986 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.263 986 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.263 986 G C 0.648 175.544 174.900 -0.007 0.000 0.989 986 G CA 0.436 45.547 45.100 0.019 0.000 0.692 986 G HN 0.565 nan 8.290 nan 0.000 0.526 987 M N -0.351 119.234 119.600 -0.025 0.000 2.628 987 M HA 0.352 4.831 4.480 -0.001 0.000 0.232 987 M C 0.535 176.786 176.300 -0.083 0.000 1.128 987 M CA 0.487 55.757 55.300 -0.051 0.000 1.040 987 M CB -0.079 32.485 32.600 -0.060 0.000 1.608 987 M HN 0.106 nan 8.290 nan 0.000 0.507 988 V N 0.777 120.638 119.914 -0.087 0.000 2.817 988 V HA 0.247 4.367 4.120 -0.001 0.000 0.303 988 V C -0.688 175.375 176.094 -0.052 0.000 1.151 988 V CA -1.364 60.856 62.300 -0.133 0.000 0.929 988 V CB 2.753 34.361 31.823 -0.359 0.000 1.030 988 V HN 0.217 nan 8.190 nan 0.000 0.427 989 N N 4.919 123.602 118.700 -0.028 0.000 2.405 989 N HA 0.221 4.961 4.740 -0.001 0.000 0.260 989 N C 0.676 176.200 175.510 0.024 0.000 1.152 989 N CA -0.046 53.003 53.050 -0.001 0.000 0.948 989 N CB 0.785 39.267 38.487 -0.009 0.000 1.111 989 N HN 0.688 nan 8.380 nan 0.000 0.485 990 L N 1.662 122.910 121.223 0.041 0.000 2.675 990 L HA 0.013 4.353 4.340 -0.001 0.000 0.238 990 L C 0.774 177.677 176.870 0.056 0.000 1.155 990 L CA 0.437 55.319 54.840 0.070 0.000 0.881 990 L CB -0.205 41.897 42.059 0.071 0.000 1.008 990 L HN 0.511 nan 8.230 nan 0.000 0.443 991 D N -0.065 120.355 120.400 0.033 0.000 2.407 991 D HA -0.005 4.635 4.640 -0.001 0.000 0.208 991 D C 1.105 177.407 176.300 0.003 0.000 1.083 991 D CA 0.479 54.490 54.000 0.018 0.000 0.844 991 D CB 0.514 41.317 40.800 0.005 0.000 0.967 991 D HN 0.040 nan 8.370 nan 0.000 0.506 992 K N 0.076 120.482 120.400 0.010 0.000 2.792 992 K HA 0.263 4.583 4.320 -0.001 0.000 0.207 992 K C -1.002 175.634 176.600 0.059 0.000 1.103 992 K CA -0.175 56.105 56.287 -0.011 0.000 1.048 992 K CB 2.373 34.845 32.500 -0.046 0.000 0.777 992 K HN -0.106 nan 8.250 nan 0.000 0.468 993 V N 2.012 121.995 119.914 0.115 0.000 2.357 993 V HA 0.258 4.378 4.120 -0.001 0.000 0.284 993 V C -0.183 176.022 176.094 0.185 0.000 1.018 993 V CA -0.851 61.588 62.300 0.232 0.000 0.841 993 V CB 1.785 33.803 31.823 0.325 0.000 0.991 993 V HN -0.087 nan 8.190 nan 0.000 0.437 994 V N 6.131 126.185 119.914 0.233 0.000 2.439 994 V HA 0.546 4.666 4.120 -0.001 0.000 0.282 994 V C -0.074 176.107 176.094 0.146 0.000 1.039 994 V CA -0.476 61.944 62.300 0.200 0.000 0.913 994 V CB 1.732 33.759 31.823 0.339 0.000 0.983 994 V HN 0.549 nan 8.190 nan 0.000 0.460 995 V N 4.946 124.921 119.914 0.101 0.000 2.709 995 V HA 0.400 4.519 4.120 -0.001 0.000 0.308 995 V C -0.347 175.794 176.094 0.079 0.000 1.062 995 V CA -0.614 61.722 62.300 0.060 0.000 0.901 995 V CB 2.637 34.480 31.823 0.032 0.000 1.003 995 V HN 0.636 nan 8.190 nan 0.000 0.425 996 V N 4.253 124.216 119.914 0.081 0.000 2.389 996 V HA 0.191 4.310 4.120 -0.001 0.000 0.264 996 V C 1.168 177.357 176.094 0.159 0.000 1.049 996 V CA 0.637 62.998 62.300 0.102 0.000 0.932 996 V CB 0.827 32.704 31.823 0.090 0.000 1.011 996 V HN 1.062 nan 8.190 nan 0.000 0.475 997 T N 3.357 118.002 114.554 0.151 0.000 3.034 997 T HA 0.297 4.646 4.350 -0.001 0.000 0.248 997 T C 0.757 175.594 174.700 0.228 0.000 1.040 997 T CA 0.809 63.027 62.100 0.197 0.000 1.107 997 T CB 0.113 69.066 68.868 0.141 0.000 0.932 997 T HN 0.783 nan 8.240 nan 0.000 0.474 998 G N 0.854 109.717 108.800 0.105 0.000 2.569 998 G HA2 0.660 4.620 3.960 -0.001 0.000 0.300 998 G HA3 0.660 4.620 3.960 -0.001 0.000 0.300 998 G C -2.000 172.820 174.900 -0.134 0.000 1.269 998 G CA -0.434 44.682 45.100 0.026 0.000 0.959 998 G HN 0.295 nan 8.290 nan 0.000 0.478 999 L N 0.399 121.511 121.223 -0.185 0.000 2.676 999 L HA 0.675 5.015 4.340 -0.001 0.000 0.262 999 L C -0.917 175.895 176.870 -0.097 0.000 0.932 999 L CA -0.328 54.374 54.840 -0.231 0.000 0.932 999 L CB 1.129 42.844 42.059 -0.573 0.000 1.355 999 L HN 1.071 nan 8.230 nan 0.000 0.421 1000 A N 4.441 127.257 122.820 -0.006 0.000 2.588 1000 A HA 0.925 5.244 4.320 -0.001 0.000 0.290 1000 A C -1.454 176.177 177.584 0.077 0.000 1.136 1000 A CA -0.328 51.736 52.037 0.046 0.000 0.681 1000 A CB 2.329 21.388 19.000 0.099 0.000 1.282 1000 A HN 0.733 nan 8.150 nan 0.000 0.421 1001 E N -0.435 119.809 120.200 0.074 0.000 2.388 1001 E HA 0.563 4.912 4.350 -0.001 0.000 0.282 1001 E C -2.134 174.483 176.600 0.029 0.000 1.026 1001 E CA -0.713 55.745 56.400 0.097 0.000 0.820 1001 E CB 1.082 30.775 29.700 -0.011 0.000 1.226 1001 E HN 0.373 nan 8.360 nan 0.000 0.432 1002 I N 1.646 122.244 120.570 0.047 0.000 2.418 1002 I HA 0.751 4.921 4.170 -0.001 0.000 0.287 1002 I C 0.185 176.206 176.117 -0.159 0.000 1.008 1002 I CA 0.115 61.340 61.300 -0.126 0.000 1.104 1002 I CB 1.787 39.636 38.000 -0.251 0.000 1.264 1002 I HN 0.789 nan 8.210 nan 0.000 0.438 1003 G N 5.399 114.023 108.800 -0.294 0.000 2.682 1003 G HA2 0.454 4.413 3.960 -0.001 0.000 0.303 1003 G HA3 0.454 4.413 3.960 -0.001 0.000 0.303 1003 G C -2.670 172.071 174.900 -0.266 0.000 1.341 1003 G CA -0.743 44.182 45.100 -0.292 0.000 0.784 1003 G HN 0.249 nan 8.290 nan 0.000 0.497 1004 P HA -0.002 nan 4.420 nan 0.000 0.223 1004 P C 0.447 177.481 177.300 -0.443 0.000 1.144 1004 P CA 1.151 64.080 63.100 -0.286 0.000 0.783 1004 P CB 0.147 31.700 31.700 -0.246 0.000 0.771 1005 W N -1.042 120.187 121.300 -0.118 0.000 3.008 1005 W HA 0.438 5.098 4.660 -0.001 0.000 0.355 1005 W C 0.983 177.531 176.519 0.048 0.000 1.095 1005 W CA 0.654 57.997 57.345 -0.003 0.000 1.738 1005 W CB 0.742 30.182 29.460 -0.034 0.000 1.091 1005 W HN -0.043 nan 8.180 nan 0.000 0.574 1006 G N 1.197 110.071 108.800 0.124 0.000 2.409 1006 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.421 1006 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.421 1006 G C -0.474 174.472 174.900 0.077 0.000 1.259 1006 G CA -0.755 44.434 45.100 0.148 0.000 1.011 1006 G HN 0.138 nan 8.290 nan 0.000 0.497 1007 N N 0.370 119.173 118.700 0.172 0.000 2.340 1007 N HA 0.486 5.225 4.740 -0.001 0.000 0.236 1007 N C 1.677 177.220 175.510 0.055 0.000 1.296 1007 N CA 1.043 54.168 53.050 0.125 0.000 0.896 1007 N CB 0.419 39.048 38.487 0.236 0.000 1.127 1007 N HN 1.719 nan 8.380 nan 0.000 0.442 1008 A N 0.539 123.363 122.820 0.008 0.000 1.986 1008 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 1008 A C 2.141 179.738 177.584 0.022 0.000 1.171 1008 A CA 1.421 53.440 52.037 -0.030 0.000 0.640 1008 A CB -0.628 18.341 19.000 -0.052 0.000 0.811 1008 A HN 0.738 nan 8.150 nan 0.000 0.451 1009 R N -0.692 119.829 120.500 0.035 0.000 2.070 1009 R HA -0.122 4.217 4.340 -0.001 0.000 0.232 1009 R C 2.584 178.920 176.300 0.060 0.000 1.138 1009 R CA 2.103 58.222 56.100 0.032 0.000 0.936 1009 R CB -1.081 29.213 30.300 -0.010 0.000 0.839 1009 R HN 0.750 nan 8.270 nan 0.000 0.429 1010 T N -0.335 114.280 114.554 0.102 0.000 2.788 1010 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 1010 T C 2.020 176.697 174.700 -0.038 0.000 1.044 1010 T CA 0.866 63.032 62.100 0.110 0.000 1.139 1010 T CB -0.207 68.878 68.868 0.363 0.000 0.867 1010 T HN 0.075 nan 8.240 nan 0.000 0.454 1011 R N 0.154 120.668 120.500 0.023 0.000 2.073 1011 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 1011 R C 2.272 178.491 176.300 -0.135 0.000 1.134 1011 R CA 1.729 57.792 56.100 -0.062 0.000 0.952 1011 R CB -1.056 29.196 30.300 -0.081 0.000 0.850 1011 R HN 0.771 nan 8.270 nan 0.000 0.433 1012 W N 2.045 123.223 121.300 -0.204 0.000 2.335 1012 W HA -0.212 4.448 4.660 -0.001 0.000 0.311 1012 W C 1.494 177.894 176.519 -0.198 0.000 1.213 1012 W CA 1.481 58.724 57.345 -0.171 0.000 1.274 1012 W CB -0.176 29.215 29.460 -0.114 0.000 1.148 1012 W HN 0.227 nan 8.180 nan 0.000 0.498 1013 E N 0.234 120.245 120.200 -0.315 0.000 2.086 1013 E HA -0.338 4.012 4.350 -0.001 0.000 0.200 1013 E C 2.000 178.245 176.600 -0.591 0.000 1.012 1013 E CA 2.271 58.358 56.400 -0.523 0.000 0.812 1013 E CB -0.537 28.823 29.700 -0.566 0.000 0.743 1013 E HN 0.272 nan 8.360 nan 0.000 0.453 1014 M N 0.806 119.987 119.600 -0.699 0.000 2.123 1014 M HA -0.130 4.349 4.480 -0.001 0.000 0.263 1014 M C 2.046 178.009 176.300 -0.562 0.000 1.069 1014 M CA 1.593 56.458 55.300 -0.726 0.000 1.133 1014 M CB -0.035 31.941 32.600 -1.041 0.000 1.356 1014 M HN -0.021 nan 8.290 nan 0.000 0.415 1015 E N -0.636 119.237 120.200 -0.544 0.000 2.160 1015 E HA -0.189 4.161 4.350 -0.001 0.000 0.195 1015 E C 1.487 177.823 176.600 -0.440 0.000 0.991 1015 E CA 1.395 57.537 56.400 -0.429 0.000 0.810 1015 E CB 0.002 29.509 29.700 -0.321 0.000 0.742 1015 E HN 0.590 nan 8.360 nan 0.000 0.466 1016 A N -0.405 122.001 122.820 -0.691 0.000 1.963 1016 A HA 0.049 4.369 4.320 -0.001 0.000 0.211 1016 A C 1.641 178.952 177.584 -0.455 0.000 1.380 1016 A CA 0.363 51.960 52.037 -0.734 0.000 0.690 1016 A CB -0.577 17.604 19.000 -1.366 0.000 1.060 1016 A HN 0.294 nan 8.150 nan 0.000 0.498 1017 Y N -0.489 119.500 120.300 -0.518 0.000 2.365 1017 Y HA 0.281 4.830 4.550 -0.001 0.000 0.293 1017 Y C 2.159 177.895 175.900 -0.272 0.000 1.119 1017 Y CA 0.642 58.540 58.100 -0.337 0.000 1.203 1017 Y CB -0.172 38.113 38.460 -0.291 0.000 1.026 1017 Y HN 0.528 nan 8.280 nan 0.000 0.549 1018 G N 0.097 108.796 108.800 -0.168 0.000 2.176 1018 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.232 1018 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.232 1018 G C 0.228 175.056 174.900 -0.122 0.000 0.986 1018 G CA 0.334 45.336 45.100 -0.163 0.000 0.643 1018 G HN 0.537 nan 8.290 nan 0.000 0.522 1019 K N -1.311 119.020 120.400 -0.115 0.000 2.578 1019 K HA 0.738 5.057 4.320 -0.001 0.000 0.287 1019 K C -1.206 175.349 176.600 -0.075 0.000 1.010 1019 K CA -1.296 54.985 56.287 -0.010 0.000 0.889 1019 K CB 0.673 33.215 32.500 0.070 0.000 1.514 1019 K HN 0.022 nan 8.250 nan 0.000 0.424 1020 F N 1.940 121.883 119.950 -0.013 0.000 2.410 1020 F HA 0.278 4.805 4.527 -0.001 0.000 0.348 1020 F C 0.974 176.772 175.800 -0.004 0.000 1.106 1020 F CA 0.006 58.003 58.000 -0.005 0.000 1.163 1020 F CB 1.687 40.715 39.000 0.047 0.000 1.129 1020 F HN 0.680 nan 8.300 nan 0.000 0.516 1021 S N 3.957 119.711 115.700 0.090 0.000 2.608 1021 S HA 0.108 4.577 4.470 -0.001 0.000 0.261 1021 S C 1.192 175.869 174.600 0.130 0.000 1.314 1021 S CA -0.851 57.388 58.200 0.064 0.000 0.992 1021 S CB 0.689 63.880 63.200 -0.015 0.000 0.935 1021 S HN 0.718 nan 8.310 nan 0.000 0.564 1022 L N 0.494 121.778 121.223 0.101 0.000 2.079 1022 L HA -0.100 4.240 4.340 -0.001 0.000 0.210 1022 L C 2.325 179.277 176.870 0.136 0.000 1.081 1022 L CA 2.145 57.052 54.840 0.113 0.000 0.752 1022 L CB -1.597 40.519 42.059 0.095 0.000 0.896 1022 L HN 0.829 nan 8.230 nan 0.000 0.433 1023 E N -0.403 119.871 120.200 0.123 0.000 2.077 1023 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 1023 E C 2.065 178.766 176.600 0.167 0.000 0.989 1023 E CA 1.298 57.781 56.400 0.138 0.000 0.800 1023 E CB -0.547 29.210 29.700 0.095 0.000 0.746 1023 E HN 0.583 nan 8.360 nan 0.000 0.452 1024 G N -0.255 108.658 108.800 0.188 0.000 2.404 1024 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.215 1024 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.215 1024 G C 1.786 176.908 174.900 0.370 0.000 1.174 1024 G CA 0.878 46.173 45.100 0.325 0.000 0.780 1024 G HN 0.340 nan 8.290 nan 0.000 0.537 1025 C N -0.037 119.427 119.300 0.272 0.000 2.393 1025 C HA -0.082 4.378 4.460 -0.001 0.000 0.276 1025 C C 3.083 178.134 174.990 0.101 0.000 1.215 1025 C CA 0.989 60.080 59.018 0.122 0.000 1.743 1025 C CB -1.010 26.790 27.740 0.100 0.000 2.044 1025 C HN 0.291 nan 8.230 nan 0.000 0.464 1026 V N 0.610 120.594 119.914 0.118 0.000 2.324 1026 V HA -0.271 3.848 4.120 -0.001 0.000 0.250 1026 V C 2.418 178.565 176.094 0.088 0.000 1.060 1026 V CA 2.123 64.463 62.300 0.067 0.000 1.042 1026 V CB -0.756 31.166 31.823 0.165 0.000 0.650 1026 V HN 0.611 nan 8.190 nan 0.000 0.450 1027 E N -0.698 119.606 120.200 0.175 0.000 2.038 1027 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 1027 E C 2.349 179.111 176.600 0.269 0.000 1.000 1027 E CA 1.535 58.072 56.400 0.229 0.000 0.803 1027 E CB -0.193 29.658 29.700 0.252 0.000 0.750 1027 E HN 0.428 nan 8.360 nan 0.000 0.448 1028 M N 0.259 119.987 119.600 0.212 0.000 2.065 1028 M HA -0.141 4.338 4.480 -0.001 0.000 0.259 1028 M C 2.547 178.866 176.300 0.031 0.000 1.069 1028 M CA 1.335 56.720 55.300 0.141 0.000 1.110 1028 M CB -1.189 31.417 32.600 0.010 0.000 1.328 1028 M HN 0.077 nan 8.290 nan 0.000 0.405 1029 A N -1.113 121.688 122.820 -0.032 0.000 2.084 1029 A HA -0.228 4.092 4.320 -0.001 0.000 0.221 1029 A C 2.004 179.455 177.584 -0.221 0.000 1.161 1029 A CA 1.588 53.524 52.037 -0.168 0.000 0.653 1029 A CB -1.176 17.767 19.000 -0.096 0.000 0.802 1029 A HN 0.750 nan 8.150 nan 0.000 0.457 1030 W N 0.826 121.944 121.300 -0.304 0.000 2.441 1030 W HA -0.114 4.545 4.660 -0.001 0.000 0.302 1030 W C 2.258 178.607 176.519 -0.283 0.000 1.191 1030 W CA 1.751 58.884 57.345 -0.352 0.000 1.327 1030 W CB -0.186 29.092 29.460 -0.303 0.000 1.128 1030 W HN 0.407 nan 8.180 nan 0.000 0.522 1031 M N -0.779 118.730 119.600 -0.152 0.000 2.288 1031 M HA 0.015 4.495 4.480 -0.001 0.000 0.266 1031 M C 1.770 177.844 176.300 -0.376 0.000 1.072 1031 M CA 1.525 56.551 55.300 -0.458 0.000 1.132 1031 M CB -0.810 31.880 32.600 0.150 0.000 1.386 1031 M HN -0.021 nan 8.290 nan 0.000 0.432 1032 M N 1.184 120.650 119.600 -0.223 0.000 2.460 1032 M HA 0.080 4.559 4.480 -0.001 0.000 0.263 1032 M C 0.978 177.063 176.300 -0.359 0.000 1.071 1032 M CA 1.329 56.495 55.300 -0.222 0.000 1.096 1032 M CB -0.275 32.205 32.600 -0.201 0.000 1.408 1032 M HN 0.776 nan 8.290 nan 0.000 0.463 1033 G N 0.706 109.220 108.800 -0.476 0.000 2.171 1033 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.238 1033 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.238 1033 G C 0.399 175.021 174.900 -0.462 0.000 1.039 1033 G CA -0.125 44.680 45.100 -0.492 0.000 0.759 1033 G HN 0.477 nan 8.290 nan 0.000 0.501 1034 L N -0.428 120.471 121.223 -0.541 0.000 2.477 1034 L HA 0.434 4.773 4.340 -0.001 0.000 0.220 1034 L C 1.406 177.953 176.870 -0.539 0.000 1.106 1034 L CA 0.611 55.041 54.840 -0.683 0.000 0.851 1034 L CB -0.123 41.268 42.059 -1.113 0.000 0.994 1034 L HN 0.577 nan 8.230 nan 0.000 0.462 1035 I N -1.507 118.814 120.570 -0.416 0.000 2.692 1035 I HA 0.474 4.643 4.170 -0.001 0.000 0.293 1035 I C -1.239 174.759 176.117 -0.198 0.000 1.200 1035 I CA -0.842 60.298 61.300 -0.266 0.000 1.036 1035 I CB 2.227 40.012 38.000 -0.359 0.000 1.258 1035 I HN -0.034 nan 8.210 nan 0.000 0.421 1036 K N 3.213 123.641 120.400 0.047 0.000 2.426 1036 K HA 0.433 4.752 4.320 -0.001 0.000 0.251 1036 K C -1.227 175.681 176.600 0.514 0.000 0.941 1036 K CA -0.787 55.636 56.287 0.227 0.000 0.808 1036 K CB 2.292 34.838 32.500 0.078 0.000 1.265 1036 K HN 0.637 nan 8.250 nan 0.000 0.432 1037 N N 2.278 121.356 118.700 0.630 0.000 2.475 1037 N HA -0.035 4.705 4.740 -0.001 0.000 0.267 1037 N C -1.114 174.565 175.510 0.281 0.000 1.169 1037 N CA 0.198 53.488 53.050 0.400 0.000 0.947 1037 N CB 0.463 39.021 38.487 0.119 0.000 1.061 1037 N HN 0.634 nan 8.380 nan 0.000 0.466 1038 H N 3.309 122.468 119.070 0.149 0.000 2.569 1038 H HA 0.270 4.825 4.556 -0.001 0.000 0.357 1038 H C -1.180 174.169 175.328 0.034 0.000 1.153 1038 H CA -0.574 55.545 56.048 0.119 0.000 1.193 1038 H CB 1.245 31.127 29.762 0.201 0.000 1.602 1038 H HN 0.682 nan 8.280 nan 0.000 0.523 1039 N N 3.358 121.660 118.700 -0.664 0.000 2.751 1039 N HA 0.327 5.066 4.740 -0.001 0.000 0.238 1039 N C -1.353 173.876 175.510 -0.468 0.000 1.351 1039 N CA -0.141 52.633 53.050 -0.460 0.000 0.751 1039 N CB 0.870 39.208 38.487 -0.247 0.000 1.342 1039 N HN 0.903 nan 8.380 nan 0.000 0.540 1040 G N 1.848 110.381 108.800 -0.446 0.000 2.315 1040 G HA2 0.208 4.168 3.960 -0.001 0.000 0.294 1040 G HA3 0.208 4.168 3.960 -0.001 0.000 0.294 1040 G C -3.320 171.621 174.900 0.069 0.000 1.300 1040 G CA -0.664 44.339 45.100 -0.162 0.000 0.843 1040 G HN 0.095 nan 8.290 nan 0.000 0.527 1041 P HA 0.361 nan 4.420 nan 0.000 0.265 1041 P C -0.454 176.991 177.300 0.242 0.000 1.193 1041 P CA 0.051 63.243 63.100 0.155 0.000 0.765 1041 P CB 0.629 32.386 31.700 0.094 0.000 0.823 1042 L N 4.769 126.107 121.223 0.191 0.000 2.427 1042 L HA 0.261 4.600 4.340 -0.001 0.000 0.264 1042 L C 0.081 176.969 176.870 0.029 0.000 0.989 1042 L CA -0.540 54.362 54.840 0.104 0.000 0.865 1042 L CB 0.722 42.822 42.059 0.068 0.000 1.209 1042 L HN 0.534 nan 8.230 nan 0.000 0.430 1043 K N 2.812 123.221 120.400 0.015 0.000 3.239 1043 K HA -0.240 4.079 4.320 -0.001 0.000 0.270 1043 K C 0.827 177.437 176.600 0.017 0.000 1.049 1043 K CA 0.472 56.761 56.287 0.003 0.000 0.769 1043 K CB -1.348 31.141 32.500 -0.018 0.000 1.305 1043 K HN 1.126 nan 8.250 nan 0.000 0.469 1044 G N 0.757 109.576 108.800 0.031 0.000 5.347 1044 G HA2 -0.429 3.530 3.960 -0.001 0.000 0.299 1044 G HA3 -0.429 3.530 3.960 -0.001 0.000 0.299 1044 G C 0.059 174.986 174.900 0.045 0.000 1.492 1044 G CA 0.426 45.546 45.100 0.033 0.000 0.991 1044 G HN 0.432 nan 8.290 nan 0.000 0.749 1045 K N 3.241 123.667 120.400 0.043 0.000 2.491 1045 K HA 0.325 4.644 4.320 -0.001 0.000 0.279 1045 K C -1.990 174.665 176.600 0.092 0.000 1.026 1045 K CA -0.477 55.844 56.287 0.057 0.000 1.070 1045 K CB 0.476 33.005 32.500 0.049 0.000 0.887 1045 K HN 0.227 nan 8.250 nan 0.000 0.481 1046 P HA 0.058 nan 4.420 nan 0.000 0.271 1046 P C -1.548 175.879 177.300 0.212 0.000 1.244 1046 P CA 0.042 63.214 63.100 0.120 0.000 0.793 1046 P CB 0.228 31.965 31.700 0.062 0.000 0.984 1047 Y N -0.904 119.414 120.300 0.029 0.000 2.598 1047 Y HA 0.422 4.972 4.550 -0.001 0.000 0.333 1047 Y C -1.566 174.337 175.900 0.005 0.000 1.196 1047 Y CA -0.423 57.702 58.100 0.041 0.000 1.145 1047 Y CB 0.851 39.370 38.460 0.099 0.000 1.349 1047 Y HN 0.535 nan 8.280 nan 0.000 0.469 1048 S N 3.683 118.851 115.700 -0.886 0.000 2.588 1048 S HA 0.996 5.466 4.470 -0.001 0.000 0.275 1048 S C -0.309 173.710 174.600 -0.970 0.000 1.130 1048 S CA 0.073 57.849 58.200 -0.706 0.000 0.855 1048 S CB 1.700 64.666 63.200 -0.390 0.000 1.116 1048 S HN 2.375 nan 8.310 nan 0.000 0.472 1049 G N 0.690 109.186 108.800 -0.506 0.000 2.409 1049 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.421 1049 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.421 1049 G C -1.042 173.862 174.900 0.007 0.000 1.259 1049 G CA -0.623 44.254 45.100 -0.372 0.000 1.011 1049 G HN 0.925 nan 8.290 nan 0.000 0.497 1050 W N -0.563 120.821 121.300 0.141 0.000 2.193 1050 W HA 0.474 5.134 4.660 -0.001 0.000 0.338 1050 W C 0.540 177.220 176.519 0.269 0.000 1.310 1050 W CA -0.543 56.919 57.345 0.194 0.000 1.243 1050 W CB 0.988 30.550 29.460 0.169 0.000 1.165 1050 W HN 0.345 nan 8.180 nan 0.000 0.566 1051 V N 3.315 123.550 119.914 0.536 0.000 2.841 1051 V HA 0.060 4.179 4.120 -0.001 0.000 0.310 1051 V C -0.395 175.804 176.094 0.176 0.000 1.090 1051 V CA -0.912 61.573 62.300 0.308 0.000 0.930 1051 V CB 2.005 33.982 31.823 0.256 0.000 1.014 1051 V HN 0.345 nan 8.190 nan 0.000 0.425 1052 D N 2.674 123.142 120.400 0.114 0.000 2.417 1052 D HA 0.263 4.902 4.640 -0.001 0.000 0.250 1052 D C 0.958 177.245 176.300 -0.022 0.000 1.166 1052 D CA 0.651 54.687 54.000 0.061 0.000 0.881 1052 D CB 2.064 42.917 40.800 0.088 0.000 1.164 1052 D HN 0.658 nan 8.370 nan 0.000 0.467 1053 A N 5.837 128.598 122.820 -0.099 0.000 1.902 1053 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 1053 A C 1.990 179.510 177.584 -0.107 0.000 1.181 1053 A CA 1.120 53.084 52.037 -0.122 0.000 0.623 1053 A CB -0.086 18.792 19.000 -0.202 0.000 0.818 1053 A HN 0.523 nan 8.150 nan 0.000 0.443 1054 K N -0.394 119.939 120.400 -0.110 0.000 1.979 1054 K HA -0.037 4.282 4.320 -0.001 0.000 0.213 1054 K C 1.117 177.684 176.600 -0.055 0.000 1.036 1054 K CA 1.240 57.476 56.287 -0.084 0.000 0.954 1054 K CB -1.443 31.009 32.500 -0.081 0.000 0.743 1054 K HN 0.369 nan 8.250 nan 0.000 0.443 1055 T N 1.033 115.565 114.554 -0.036 0.000 2.769 1055 T HA 0.173 4.523 4.350 -0.001 0.000 0.293 1055 T C 1.191 175.868 174.700 -0.038 0.000 0.931 1055 T CA -0.073 62.010 62.100 -0.029 0.000 1.139 1055 T CB 0.527 69.388 68.868 -0.012 0.000 0.881 1055 T HN 0.391 nan 8.240 nan 0.000 0.532 1056 G N 4.428 113.194 108.800 -0.056 0.000 2.601 1056 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.214 1056 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.214 1056 G C 0.646 175.491 174.900 -0.093 0.000 1.132 1056 G CA 0.082 45.132 45.100 -0.083 0.000 0.761 1056 G HN 0.732 nan 8.290 nan 0.000 0.550 1057 E N 0.690 120.851 120.200 -0.065 0.000 2.425 1057 E HA 0.139 4.489 4.350 -0.001 0.000 0.258 1057 E C -2.201 174.361 176.600 -0.064 0.000 1.151 1057 E CA -1.417 54.936 56.400 -0.079 0.000 0.958 1057 E CB 0.200 29.870 29.700 -0.050 0.000 0.968 1057 E HN 0.101 nan 8.360 nan 0.000 0.451 1058 P HA 0.252 nan 4.420 nan 0.000 0.278 1058 P C -0.831 176.504 177.300 0.059 0.000 1.258 1058 P CA -0.455 62.600 63.100 -0.076 0.000 0.811 1058 P CB 0.834 32.247 31.700 -0.479 0.000 1.063 1059 V N 1.153 121.185 119.914 0.198 0.000 2.733 1059 V HA 0.265 4.384 4.120 -0.001 0.000 0.306 1059 V C -0.754 175.481 176.094 0.235 0.000 1.084 1059 V CA -0.579 61.825 62.300 0.174 0.000 0.905 1059 V CB 2.151 34.078 31.823 0.174 0.000 1.010 1059 V HN 0.435 nan 8.190 nan 0.000 0.424 1060 D N 2.612 123.102 120.400 0.150 0.000 2.256 1060 D HA 0.257 4.896 4.640 -0.001 0.000 0.250 1060 D C 0.576 176.969 176.300 0.155 0.000 1.093 1060 D CA -0.214 53.881 54.000 0.158 0.000 0.882 1060 D CB 1.928 42.788 40.800 0.100 0.000 1.185 1060 D HN 0.563 nan 8.370 nan 0.000 0.437 1061 D N 1.243 121.768 120.400 0.208 0.000 2.149 1061 D HA -0.240 4.400 4.640 -0.001 0.000 0.194 1061 D C 1.880 178.249 176.300 0.115 0.000 1.001 1061 D CA 1.557 55.681 54.000 0.208 0.000 0.849 1061 D CB 0.006 40.936 40.800 0.217 0.000 0.939 1061 D HN 0.556 nan 8.370 nan 0.000 0.449 1062 K N 0.360 120.812 120.400 0.087 0.000 2.211 1062 K HA -0.144 4.176 4.320 -0.001 0.000 0.204 1062 K C 0.831 177.445 176.600 0.024 0.000 1.047 1062 K CA 1.520 57.840 56.287 0.055 0.000 0.935 1062 K CB 0.054 32.582 32.500 0.048 0.000 0.728 1062 K HN 0.056 nan 8.250 nan 0.000 0.452 1063 D N 0.871 121.274 120.400 0.005 0.000 2.271 1063 D HA -0.032 4.608 4.640 -0.001 0.000 0.206 1063 D C 2.048 178.269 176.300 -0.131 0.000 0.967 1063 D CA 0.401 54.369 54.000 -0.054 0.000 0.867 1063 D CB -0.032 40.730 40.800 -0.063 0.000 0.960 1063 D HN 0.027 nan 8.370 nan 0.000 0.509 1064 V N 1.622 121.473 119.914 -0.105 0.000 2.250 1064 V HA -0.349 3.771 4.120 -0.001 0.000 0.253 1064 V C 2.545 178.545 176.094 -0.157 0.000 1.065 1064 V CA 2.071 64.269 62.300 -0.171 0.000 1.039 1064 V CB -0.379 31.440 31.823 -0.006 0.000 0.647 1064 V HN 0.163 nan 8.190 nan 0.000 0.446 1065 K N -0.693 119.679 120.400 -0.047 0.000 2.063 1065 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 1065 K C 2.148 178.726 176.600 -0.035 0.000 1.048 1065 K CA 1.535 57.817 56.287 -0.008 0.000 0.928 1065 K CB -0.350 32.168 32.500 0.030 0.000 0.713 1065 K HN 0.495 nan 8.250 nan 0.000 0.442 1066 A N 1.336 124.116 122.820 -0.068 0.000 1.845 1066 A HA -0.186 4.134 4.320 -0.001 0.000 0.215 1066 A C 1.931 179.455 177.584 -0.099 0.000 1.195 1066 A CA 1.645 53.644 52.037 -0.064 0.000 0.616 1066 A CB -0.471 18.492 19.000 -0.061 0.000 0.832 1066 A HN 0.237 nan 8.150 nan 0.000 0.443 1067 K N -1.395 118.860 120.400 -0.242 0.000 1.971 1067 K HA -0.180 4.139 4.320 -0.001 0.000 0.221 1067 K C 1.909 178.448 176.600 -0.101 0.000 1.050 1067 K CA 2.188 58.282 56.287 -0.321 0.000 0.967 1067 K CB -0.461 31.498 32.500 -0.903 0.000 0.733 1067 K HN 0.613 nan 8.250 nan 0.000 0.445 1068 Y N 0.595 120.888 120.300 -0.013 0.000 2.490 1068 Y HA 0.034 4.584 4.550 -0.001 0.000 0.285 1068 Y C 2.147 178.060 175.900 0.022 0.000 1.117 1068 Y CA 0.157 58.243 58.100 -0.024 0.000 1.262 1068 Y CB -0.637 37.756 38.460 -0.112 0.000 1.043 1068 Y HN 0.276 nan 8.280 nan 0.000 0.553 1069 E N 1.505 121.780 120.200 0.125 0.000 2.070 1069 E HA -0.339 4.011 4.350 -0.001 0.000 0.197 1069 E C 2.198 178.865 176.600 0.111 0.000 1.004 1069 E CA 1.988 58.436 56.400 0.080 0.000 0.805 1069 E CB -0.013 29.721 29.700 0.057 0.000 0.744 1069 E HN 0.431 nan 8.360 nan 0.000 0.451 1070 K N -0.223 120.250 120.400 0.123 0.000 2.020 1070 K HA -0.281 4.039 4.320 -0.001 0.000 0.212 1070 K C 2.154 178.850 176.600 0.159 0.000 1.050 1070 K CA 1.969 58.327 56.287 0.117 0.000 0.929 1070 K CB -0.651 31.911 32.500 0.104 0.000 0.714 1070 K HN 0.339 nan 8.250 nan 0.000 0.443 1071 Y N 1.136 121.487 120.300 0.086 0.000 2.070 1071 Y HA -0.240 4.310 4.550 -0.001 0.000 0.280 1071 Y C 1.980 177.938 175.900 0.097 0.000 1.148 1071 Y CA 2.107 60.282 58.100 0.125 0.000 1.125 1071 Y CB -0.105 38.428 38.460 0.122 0.000 0.975 1071 Y HN 0.047 nan 8.280 nan 0.000 0.492 1072 I N 0.402 121.231 120.570 0.431 0.000 2.145 1072 I HA -0.406 3.763 4.170 -0.001 0.000 0.244 1072 I C 2.300 178.485 176.117 0.112 0.000 1.075 1072 I CA 1.864 63.298 61.300 0.222 0.000 1.332 1072 I CB -0.826 37.159 38.000 -0.026 0.000 1.033 1072 I HN 0.379 nan 8.210 nan 0.000 0.410 1073 L N 0.180 121.453 121.223 0.084 0.000 2.093 1073 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 1073 L C 2.606 179.493 176.870 0.029 0.000 1.085 1073 L CA 1.318 56.231 54.840 0.122 0.000 0.755 1073 L CB -0.631 41.530 42.059 0.170 0.000 0.904 1073 L HN 0.307 nan 8.230 nan 0.000 0.435 1074 E N -0.597 119.582 120.200 -0.035 0.000 2.274 1074 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 1074 E C 1.046 177.401 176.600 -0.408 0.000 0.996 1074 E CA 0.712 56.984 56.400 -0.213 0.000 0.840 1074 E CB 0.239 29.771 29.700 -0.280 0.000 0.772 1074 E HN 0.578 nan 8.360 nan 0.000 0.491 1075 H N -0.306 118.684 119.070 -0.133 0.000 2.512 1075 H HA 0.223 4.779 4.556 -0.001 0.000 0.276 1075 H C -0.261 175.004 175.328 -0.105 0.000 1.126 1075 H CA 0.290 56.264 56.048 -0.123 0.000 1.060 1075 H CB 0.644 30.341 29.762 -0.108 0.000 1.646 1075 H HN 0.056 nan 8.280 nan 0.000 0.571 1076 S N -1.453 114.162 115.700 -0.142 0.000 2.638 1076 S HA 0.733 5.202 4.470 -0.001 0.000 0.274 1076 S C 0.432 174.573 174.600 -0.764 0.000 1.157 1076 S CA -0.279 57.694 58.200 -0.379 0.000 0.826 1076 S CB 3.180 66.171 63.200 -0.349 0.000 1.139 1076 S HN 0.469 nan 8.310 nan 0.000 0.474 1077 G N 0.383 108.476 108.800 -1.177 0.000 2.512 1077 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.210 1077 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.210 1077 G C -0.901 173.739 174.900 -0.433 0.000 1.295 1077 G CA -0.473 43.902 45.100 -1.207 0.000 0.934 1077 G HN 1.166 nan 8.290 nan 0.000 0.554 1078 I N 2.513 122.992 120.570 -0.151 0.000 2.337 1078 I HA 0.461 4.630 4.170 -0.001 0.000 0.291 1078 I C 1.089 177.168 176.117 -0.064 0.000 1.046 1078 I CA -0.230 61.030 61.300 -0.067 0.000 1.324 1078 I CB 0.521 38.532 38.000 0.019 0.000 1.409 1078 I HN 0.714 nan 8.210 nan 0.000 0.494 1079 R N 5.242 125.699 120.500 -0.072 0.000 2.947 1079 R HA 0.661 5.001 4.340 -0.001 0.000 0.253 1079 R C -1.114 175.180 176.300 -0.010 0.000 1.208 1079 R CA -1.180 54.893 56.100 -0.045 0.000 1.012 1079 R CB 1.053 31.305 30.300 -0.080 0.000 1.267 1079 R HN 0.283 nan 8.270 nan 0.000 0.473 1080 L N 1.740 122.972 121.223 0.016 0.000 2.490 1080 L HA 0.177 4.517 4.340 -0.001 0.000 0.274 1080 L C 0.461 177.354 176.870 0.038 0.000 1.201 1080 L CA -0.142 54.721 54.840 0.037 0.000 0.869 1080 L CB 0.308 42.384 42.059 0.028 0.000 1.123 1080 L HN 0.401 nan 8.230 nan 0.000 0.484 1081 I N 3.524 124.122 120.570 0.046 0.000 2.668 1081 I HA -0.056 4.113 4.170 -0.001 0.000 0.285 1081 I C 0.406 176.622 176.117 0.164 0.000 1.168 1081 I CA 0.413 61.778 61.300 0.108 0.000 1.424 1081 I CB 0.041 38.102 38.000 0.101 0.000 1.377 1081 I HN 0.606 nan 8.210 nan 0.000 0.560 1082 E N 8.588 128.952 120.200 0.274 0.000 2.109 1082 E HA 0.198 4.547 4.350 -0.001 0.000 0.278 1082 E C -1.811 174.993 176.600 0.339 0.000 0.954 1082 E CA -1.677 54.864 56.400 0.236 0.000 0.779 1082 E CB 1.316 31.129 29.700 0.188 0.000 1.093 1082 E HN 0.394 nan 8.360 nan 0.000 0.401 1083 P HA -0.154 nan 4.420 nan 0.000 0.219 1083 P C 0.585 178.036 177.300 0.252 0.000 1.150 1083 P CA 0.998 64.266 63.100 0.279 0.000 0.814 1083 P CB 0.298 32.086 31.700 0.146 0.000 0.787 1084 E N 0.117 120.410 120.200 0.154 0.000 2.160 1084 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 1084 E C 1.639 178.272 176.600 0.055 0.000 0.991 1084 E CA 0.874 57.327 56.400 0.089 0.000 0.810 1084 E CB -0.765 28.965 29.700 0.049 0.000 0.742 1084 E HN 0.312 nan 8.360 nan 0.000 0.466 1085 L N -0.397 120.845 121.223 0.032 0.000 2.610 1085 L HA 0.037 4.377 4.340 -0.001 0.000 0.232 1085 L C 0.558 177.114 176.870 -0.524 0.000 1.149 1085 L CA 0.358 55.052 54.840 -0.243 0.000 0.872 1085 L CB 0.151 41.999 42.059 -0.351 0.000 0.992 1085 L HN 0.076 nan 8.230 nan 0.000 0.447 1086 F N -0.955 119.103 119.950 0.180 0.000 2.733 1086 F HA 0.343 4.870 4.527 -0.000 0.000 0.380 1086 F C 1.356 177.247 175.800 0.151 0.000 1.324 1086 F CA -0.441 57.675 58.000 0.193 0.000 1.178 1086 F CB 0.525 39.702 39.000 0.295 0.000 1.093 1086 F HN -0.033 nan 8.300 nan 0.000 0.512 1087 G N 0.623 109.545 108.800 0.204 0.000 2.321 1087 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.287 1087 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.287 1087 G C 1.236 176.234 174.900 0.164 0.000 1.018 1087 G CA 0.579 45.766 45.100 0.146 0.000 0.855 1087 G HN 1.402 nan 8.290 nan 0.000 0.507 1088 G N -2.221 106.701 108.800 0.204 0.000 2.201 1088 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.212 1088 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.212 1088 G C 0.454 175.484 174.900 0.216 0.000 0.994 1088 G CA 0.330 45.533 45.100 0.171 0.000 0.644 1088 G HN 1.878 nan 8.290 nan 0.000 0.508 1089 Y N 2.426 122.817 120.300 0.152 0.000 2.811 1089 Y HA 0.417 4.966 4.550 -0.001 0.000 0.334 1089 Y C -0.117 175.853 175.900 0.116 0.000 1.247 1089 Y CA 0.410 58.578 58.100 0.112 0.000 1.526 1089 Y CB 0.748 39.263 38.460 0.092 0.000 1.284 1089 Y HN 0.170 nan 8.280 nan 0.000 0.586 1090 D N 7.931 128.060 120.400 -0.452 0.000 2.478 1090 D HA 0.261 4.901 4.640 -0.001 0.000 0.240 1090 D C -2.453 173.502 176.300 -0.574 0.000 1.364 1090 D CA -1.988 51.752 54.000 -0.433 0.000 0.987 1090 D CB 2.012 42.724 40.800 -0.147 0.000 1.328 1090 D HN 0.233 nan 8.370 nan 0.000 0.584 1091 P HA -0.048 nan 4.420 nan 0.000 0.223 1091 P C 0.857 178.150 177.300 -0.011 0.000 1.144 1091 P CA 0.644 63.603 63.100 -0.235 0.000 0.783 1091 P CB 0.345 32.022 31.700 -0.038 0.000 0.771 1092 N N -0.176 118.474 118.700 -0.083 0.000 2.463 1092 N HA -0.021 4.718 4.740 -0.001 0.000 0.181 1092 N C 0.631 176.133 175.510 -0.014 0.000 1.078 1092 N CA 0.544 53.574 53.050 -0.033 0.000 0.902 1092 N CB 0.080 38.532 38.487 -0.059 0.000 0.970 1092 N HN 0.343 nan 8.380 nan 0.000 0.451 1093 R N -0.195 120.286 120.500 -0.031 0.000 2.638 1093 R HA 0.272 4.612 4.340 -0.001 0.000 0.261 1093 R C -0.803 175.501 176.300 0.007 0.000 1.515 1093 R CA -0.686 55.410 56.100 -0.006 0.000 1.623 1093 R CB -0.026 30.266 30.300 -0.013 0.000 1.347 1093 R HN -0.284 nan 8.270 nan 0.000 0.705 1094 K N 2.333 122.757 120.400 0.040 0.000 2.419 1094 K HA -0.076 4.243 4.320 -0.001 0.000 0.282 1094 K C -0.307 176.291 176.600 -0.003 0.000 1.056 1094 K CA 0.312 56.627 56.287 0.046 0.000 1.035 1094 K CB 0.680 33.200 32.500 0.034 0.000 0.921 1094 K HN 0.518 nan 8.250 nan 0.000 0.472 1095 Q N 5.113 124.909 119.800 -0.007 0.000 2.279 1095 Q HA 0.320 4.659 4.340 -0.001 0.000 0.256 1095 Q C -0.956 175.003 176.000 -0.069 0.000 0.937 1095 Q CA -0.434 55.355 55.803 -0.024 0.000 0.933 1095 Q CB 0.588 29.324 28.738 -0.003 0.000 1.189 1095 Q HN 0.595 nan 8.270 nan 0.000 0.417 1096 L N 3.688 124.876 121.223 -0.058 0.000 2.283 1096 L HA 0.600 4.939 4.340 -0.001 0.000 0.259 1096 L C -0.692 176.158 176.870 -0.032 0.000 1.027 1096 L CA -1.319 53.480 54.840 -0.068 0.000 0.828 1096 L CB 1.780 43.795 42.059 -0.073 0.000 1.380 1096 L HN 0.660 nan 8.230 nan 0.000 0.425 1097 L N 1.003 122.212 121.223 -0.023 0.000 2.346 1097 L HA 0.527 4.867 4.340 -0.001 0.000 0.274 1097 L C -0.625 176.246 176.870 0.001 0.000 1.007 1097 L CA -0.490 54.349 54.840 -0.001 0.000 0.818 1097 L CB 2.038 44.109 42.059 0.020 0.000 1.284 1097 L HN 0.559 nan 8.230 nan 0.000 0.424 1098 Q N 2.041 121.845 119.800 0.007 0.000 2.340 1098 Q HA 0.284 4.623 4.340 -0.001 0.000 0.268 1098 Q C -1.041 174.970 176.000 0.018 0.000 1.031 1098 Q CA -0.674 55.135 55.803 0.010 0.000 0.804 1098 Q CB 1.971 30.712 28.738 0.006 0.000 1.286 1098 Q HN 0.520 nan 8.270 nan 0.000 0.448 1099 E N 2.298 122.512 120.200 0.023 0.000 2.299 1099 E HA 0.171 4.520 4.350 -0.001 0.000 0.272 1099 E C -0.998 175.617 176.600 0.026 0.000 1.043 1099 E CA -0.057 56.362 56.400 0.032 0.000 0.895 1099 E CB 1.142 30.864 29.700 0.036 0.000 1.011 1099 E HN 0.285 nan 8.360 nan 0.000 0.432 1100 V N 4.180 124.110 119.914 0.027 0.000 2.487 1100 V HA 0.136 4.255 4.120 -0.001 0.000 0.298 1100 V C -0.022 176.086 176.094 0.022 0.000 1.028 1100 V CA -0.884 61.428 62.300 0.020 0.000 0.860 1100 V CB 1.930 33.761 31.823 0.012 0.000 0.991 1100 V HN 0.392 nan 8.190 nan 0.000 0.427 1101 V N 6.700 126.626 119.914 0.020 0.000 2.356 1101 V HA 0.274 4.394 4.120 -0.001 0.000 0.258 1101 V C 0.514 176.613 176.094 0.009 0.000 1.065 1101 V CA -0.252 62.060 62.300 0.019 0.000 0.935 1101 V CB 0.789 32.624 31.823 0.021 0.000 1.061 1101 V HN 0.790 nan 8.190 nan 0.000 0.484 1102 I N 1.976 122.547 120.570 0.001 0.000 2.815 1102 I HA 0.160 4.330 4.170 -0.001 0.000 0.291 1102 I C 0.566 176.680 176.117 -0.006 0.000 1.209 1102 I CA 0.401 61.697 61.300 -0.007 0.000 1.431 1102 I CB 0.530 38.519 38.000 -0.019 0.000 1.351 1102 I HN 0.595 nan 8.210 nan 0.000 0.585 1103 E N 3.709 123.906 120.200 -0.005 0.000 2.603 1103 E HA 0.242 4.591 4.350 -0.001 0.000 0.211 1103 E C -0.671 175.925 176.600 -0.005 0.000 0.995 1103 E CA -0.100 56.298 56.400 -0.003 0.000 0.990 1103 E CB 0.672 30.372 29.700 0.000 0.000 1.036 1103 E HN 0.666 nan 8.360 nan 0.000 0.475 1104 Q N 0.712 120.507 119.800 -0.009 0.000 2.309 1104 Q HA 0.148 4.488 4.340 -0.001 0.000 0.273 1104 Q C -1.501 174.489 176.000 -0.015 0.000 1.040 1104 Q CA -0.878 54.919 55.803 -0.010 0.000 0.834 1104 Q CB 2.069 30.803 28.738 -0.007 0.000 1.345 1104 Q HN 0.042 nan 8.270 nan 0.000 0.414 1105 D N 1.622 122.012 120.400 -0.016 0.000 2.749 1105 D HA -0.067 4.572 4.640 -0.001 0.000 0.222 1105 D C -0.595 175.693 176.300 -0.020 0.000 1.131 1105 D CA 1.013 55.000 54.000 -0.022 0.000 0.845 1105 D CB 0.509 41.300 40.800 -0.016 0.000 1.196 1105 D HN 0.278 nan 8.370 nan 0.000 0.503 1106 L N 1.439 122.647 121.223 -0.026 0.000 2.334 1106 L HA 0.309 4.648 4.340 -0.001 0.000 0.270 1106 L C 0.345 177.214 176.870 -0.002 0.000 1.018 1106 L CA -0.939 53.894 54.840 -0.012 0.000 0.811 1106 L CB 1.548 43.600 42.059 -0.012 0.000 1.271 1106 L HN 0.235 nan 8.230 nan 0.000 0.443 1107 E N 2.823 123.034 120.200 0.019 0.000 2.398 1107 E HA 0.201 4.551 4.350 -0.001 0.000 0.263 1107 E C -2.352 174.282 176.600 0.055 0.000 1.046 1107 E CA -1.227 55.190 56.400 0.028 0.000 0.908 1107 E CB 0.716 30.435 29.700 0.031 0.000 0.963 1107 E HN 0.195 nan 8.360 nan 0.000 0.431 1108 P HA 0.156 nan 4.420 nan 0.000 0.271 1108 P C -1.127 176.200 177.300 0.045 0.000 1.216 1108 P CA 0.089 63.156 63.100 -0.054 0.000 0.776 1108 P CB 0.271 31.944 31.700 -0.045 0.000 0.881 1109 F N -1.304 118.612 119.950 -0.057 0.000 2.620 1109 F HA 0.623 5.149 4.527 -0.001 0.000 0.320 1109 F C -0.089 175.704 175.800 -0.012 0.000 1.069 1109 F CA -1.458 56.517 58.000 -0.041 0.000 0.953 1109 F CB 1.102 40.064 39.000 -0.064 0.000 1.322 1109 F HN 0.164 nan 8.300 nan 0.000 0.479 1110 E N 0.857 121.197 120.200 0.233 0.000 2.371 1110 E HA 0.671 5.020 4.350 -0.001 0.000 0.257 1110 E C -0.762 175.990 176.600 0.254 0.000 1.134 1110 E CA -0.680 55.816 56.400 0.159 0.000 0.919 1110 E CB 1.391 31.170 29.700 0.131 0.000 1.025 1110 E HN 0.907 nan 8.360 nan 0.000 0.438 1111 A N 0.877 123.817 122.820 0.200 0.000 2.597 1111 A HA 0.415 4.734 4.320 -0.001 0.000 0.292 1111 A C -0.638 177.061 177.584 0.192 0.000 1.057 1111 A CA -0.729 51.451 52.037 0.238 0.000 0.674 1111 A CB 1.085 20.254 19.000 0.281 0.000 1.278 1111 A HN 0.577 nan 8.150 nan 0.000 0.416 1112 S N 0.425 116.215 115.700 0.150 0.000 2.600 1112 S HA 0.286 4.755 4.470 -0.001 0.000 0.265 1112 S C 1.085 175.719 174.600 0.057 0.000 1.325 1112 S CA 0.517 58.782 58.200 0.109 0.000 1.002 1112 S CB 1.041 64.278 63.200 0.063 0.000 0.921 1112 S HN 1.011 nan 8.310 nan 0.000 0.554 1113 K N 1.028 121.451 120.400 0.040 0.000 2.032 1113 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 1113 K C 1.982 178.418 176.600 -0.274 0.000 1.048 1113 K CA 1.913 58.061 56.287 -0.231 0.000 0.927 1113 K CB -0.326 32.138 32.500 -0.061 0.000 0.712 1113 K HN 0.786 nan 8.250 nan 0.000 0.441 1114 E N 0.482 120.606 120.200 -0.126 0.000 2.021 1114 E HA -0.271 4.079 4.350 -0.001 0.000 0.200 1114 E C 2.293 178.817 176.600 -0.127 0.000 1.015 1114 E CA 1.804 58.133 56.400 -0.117 0.000 0.824 1114 E CB -0.146 29.509 29.700 -0.074 0.000 0.762 1114 E HN 0.450 nan 8.360 nan 0.000 0.454 1115 Q N 0.083 119.835 119.800 -0.079 0.000 2.112 1115 Q HA -0.222 4.118 4.340 -0.001 0.000 0.206 1115 Q C 2.228 178.231 176.000 0.005 0.000 0.987 1115 Q CA 1.454 57.209 55.803 -0.079 0.000 0.858 1115 Q CB -0.282 28.494 28.738 0.063 0.000 0.905 1115 Q HN 0.260 nan 8.270 nan 0.000 0.420 1116 A N 1.612 124.460 122.820 0.047 0.000 1.859 1116 A HA -0.293 4.026 4.320 -0.001 0.000 0.217 1116 A C 1.901 179.477 177.584 -0.014 0.000 1.198 1116 A CA 1.918 53.989 52.037 0.057 0.000 0.629 1116 A CB -0.677 18.194 19.000 -0.214 0.000 0.830 1116 A HN 0.408 nan 8.150 nan 0.000 0.446 1117 E N -0.286 119.817 120.200 -0.163 0.000 2.049 1117 E HA -0.268 4.082 4.350 -0.001 0.000 0.198 1117 E C 1.982 178.529 176.600 -0.088 0.000 1.007 1117 E CA 1.572 57.891 56.400 -0.136 0.000 0.809 1117 E CB -0.397 29.207 29.700 -0.160 0.000 0.749 1117 E HN 0.779 nan 8.360 nan 0.000 0.450 1118 E N 0.332 120.449 120.200 -0.137 0.000 2.070 1118 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 1118 E C 1.956 178.469 176.600 -0.145 0.000 1.004 1118 E CA 1.336 57.621 56.400 -0.191 0.000 0.805 1118 E CB -0.323 29.189 29.700 -0.313 0.000 0.744 1118 E HN 0.242 nan 8.360 nan 0.000 0.451 1119 F N 0.963 120.906 119.950 -0.011 0.000 2.095 1119 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 1119 F C 2.528 178.371 175.800 0.071 0.000 1.104 1119 F CA 1.128 59.167 58.000 0.066 0.000 1.232 1119 F CB -0.057 38.993 39.000 0.083 0.000 0.987 1119 F HN -0.087 nan 8.300 nan 0.000 0.475 1120 K N 0.983 121.502 120.400 0.198 0.000 2.097 1120 K HA -0.172 4.147 4.320 -0.001 0.000 0.205 1120 K C 2.046 178.673 176.600 0.045 0.000 1.050 1120 K CA 1.232 57.574 56.287 0.091 0.000 0.938 1120 K CB -0.331 32.172 32.500 0.005 0.000 0.718 1120 K HN 0.027 nan 8.250 nan 0.000 0.442 1121 R N 0.012 120.513 120.500 0.001 0.000 2.127 1121 R HA -0.174 4.165 4.340 -0.001 0.000 0.238 1121 R C 1.809 178.080 176.300 -0.050 0.000 1.134 1121 R CA 1.935 58.015 56.100 -0.034 0.000 0.975 1121 R CB -0.116 30.147 30.300 -0.061 0.000 0.865 1121 R HN 0.289 nan 8.270 nan 0.000 0.447 1122 E N -1.040 119.114 120.200 -0.077 0.000 2.140 1122 E HA -0.089 4.260 4.350 -0.001 0.000 0.191 1122 E C 1.402 177.860 176.600 -0.237 0.000 0.973 1122 E CA 1.193 57.476 56.400 -0.194 0.000 0.829 1122 E CB 0.148 29.660 29.700 -0.313 0.000 0.781 1122 E HN 0.453 nan 8.360 nan 0.000 0.466 1123 H N -1.049 118.047 119.070 0.044 0.000 2.439 1123 H HA 0.263 4.819 4.556 -0.001 0.000 0.299 1123 H C 1.591 176.926 175.328 0.012 0.000 1.033 1123 H CA 0.881 56.949 56.048 0.034 0.000 1.348 1123 H CB 0.264 30.053 29.762 0.045 0.000 1.449 1123 H HN 0.300 nan 8.280 nan 0.000 0.544 1124 G N 2.376 111.248 108.800 0.119 0.000 3.099 1124 G HA2 -0.442 3.517 3.960 -0.001 0.000 0.331 1124 G HA3 -0.442 3.517 3.960 -0.001 0.000 0.331 1124 G C 1.088 176.010 174.900 0.038 0.000 1.216 1124 G CA 0.963 46.093 45.100 0.051 0.000 0.977 1124 G HN 0.396 nan 8.290 nan 0.000 0.600 1125 D N 0.907 121.329 120.400 0.036 0.000 2.190 1125 D HA -0.035 4.605 4.640 -0.001 0.000 0.200 1125 D C 2.239 178.551 176.300 0.020 0.000 0.992 1125 D CA 1.600 55.614 54.000 0.024 0.000 0.854 1125 D CB -0.122 40.694 40.800 0.026 0.000 0.936 1125 D HN 0.376 nan 8.370 nan 0.000 0.462 1126 K N -0.455 119.969 120.400 0.040 0.000 2.387 1126 K HA 0.208 4.528 4.320 -0.001 0.000 0.198 1126 K C -0.509 176.065 176.600 -0.043 0.000 1.022 1126 K CA -0.068 56.224 56.287 0.008 0.000 1.128 1126 K CB 0.976 33.494 32.500 0.031 0.000 0.853 1126 K HN -0.097 nan 8.250 nan 0.000 0.523 1127 V N 0.315 120.214 119.914 -0.025 0.000 2.971 1127 V HA 0.338 4.458 4.120 -0.001 0.000 0.309 1127 V C -1.030 174.996 176.094 -0.115 0.000 1.130 1127 V CA -1.070 61.181 62.300 -0.081 0.000 0.964 1127 V CB 2.591 34.389 31.823 -0.042 0.000 1.029 1127 V HN 0.033 nan 8.190 nan 0.000 0.427 1128 E N 4.037 124.125 120.200 -0.185 0.000 2.199 1128 E HA 0.660 5.009 4.350 -0.001 0.000 0.265 1128 E C -1.162 175.169 176.600 -0.448 0.000 0.882 1128 E CA -0.514 55.688 56.400 -0.331 0.000 0.759 1128 E CB 2.560 32.117 29.700 -0.239 0.000 1.148 1128 E HN 0.690 nan 8.360 nan 0.000 0.412 1129 I N -0.671 119.557 120.570 -0.570 0.000 2.569 1129 I HA 0.665 4.835 4.170 -0.001 0.000 0.296 1129 I C -1.113 174.669 176.117 -0.559 0.000 1.028 1129 I CA -0.953 60.115 61.300 -0.386 0.000 1.082 1129 I CB 1.136 39.075 38.000 -0.102 0.000 1.264 1129 I HN 0.273 nan 8.210 nan 0.000 0.429 1130 F N 1.784 121.813 119.950 0.131 0.000 2.588 1130 F HA 0.454 4.980 4.527 -0.001 0.000 0.310 1130 F C 0.325 175.932 175.800 -0.321 0.000 1.082 1130 F CA -0.763 57.232 58.000 -0.008 0.000 0.929 1130 F CB 1.745 40.710 39.000 -0.058 0.000 1.254 1130 F HN 0.532 nan 8.300 nan 0.000 0.455 1131 E N 1.741 121.707 120.200 -0.391 0.000 2.398 1131 E HA 0.240 4.589 4.350 -0.001 0.000 0.263 1131 E C -0.643 175.747 176.600 -0.350 0.000 1.046 1131 E CA -0.019 55.889 56.400 -0.819 0.000 0.908 1131 E CB 0.878 30.259 29.700 -0.532 0.000 0.963 1131 E HN 0.435 nan 8.360 nan 0.000 0.431 1132 I N 5.360 125.743 120.570 -0.312 0.000 2.297 1132 I HA 0.075 4.245 4.170 -0.001 0.000 0.291 1132 I C -1.630 174.412 176.117 -0.125 0.000 1.033 1132 I CA -1.956 59.256 61.300 -0.146 0.000 1.253 1132 I CB 1.112 39.062 38.000 -0.083 0.000 1.396 1132 I HN 0.315 nan 8.210 nan 0.000 0.476 1133 P HA -0.176 nan 4.420 nan 0.000 0.217 1133 P C 0.728 177.997 177.300 -0.051 0.000 1.148 1133 P CA 1.467 64.522 63.100 -0.074 0.000 0.828 1133 P CB 0.309 31.973 31.700 -0.061 0.000 0.783 1134 E N -0.992 119.181 120.200 -0.044 0.000 2.038 1134 E HA -0.060 4.290 4.350 -0.001 0.000 0.190 1134 E C 1.842 178.431 176.600 -0.017 0.000 0.967 1134 E CA 1.606 57.990 56.400 -0.026 0.000 0.816 1134 E CB -1.078 28.608 29.700 -0.022 0.000 0.784 1134 E HN 0.245 nan 8.360 nan 0.000 0.456 1135 T N -2.272 112.273 114.554 -0.016 0.000 3.129 1135 T HA 0.264 4.613 4.350 -0.001 0.000 0.251 1135 T C 1.610 176.316 174.700 0.009 0.000 1.117 1135 T CA 0.331 62.432 62.100 0.001 0.000 1.034 1135 T CB 0.351 69.224 68.868 0.008 0.000 0.968 1135 T HN 0.408 nan 8.240 nan 0.000 0.526 1136 G N 0.785 109.580 108.800 -0.009 0.000 2.184 1136 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.264 1136 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.264 1136 G C 0.242 175.175 174.900 0.055 0.000 0.975 1136 G CA 0.277 45.384 45.100 0.011 0.000 0.642 1136 G HN 0.590 nan 8.290 nan 0.000 0.536 1137 Q N -0.962 118.863 119.800 0.041 0.000 2.370 1137 Q HA 0.692 5.032 4.340 -0.001 0.000 0.186 1137 Q C 0.112 176.165 176.000 0.088 0.000 1.093 1137 Q CA 0.022 55.901 55.803 0.127 0.000 1.142 1137 Q CB 0.333 29.126 28.738 0.091 0.000 1.175 1137 Q HN 0.495 nan 8.270 nan 0.000 0.625 1138 Y N -1.393 118.924 120.300 0.028 0.000 2.705 1138 Y HA 0.426 4.976 4.550 -0.001 0.000 0.332 1138 Y C -0.185 175.701 175.900 -0.023 0.000 1.157 1138 Y CA -0.751 57.356 58.100 0.013 0.000 1.091 1138 Y CB 2.266 40.728 38.460 0.004 0.000 1.301 1138 Y HN 0.544 nan 8.280 nan 0.000 0.488 1139 T N -0.851 113.768 114.554 0.109 0.000 2.921 1139 T HA 0.723 5.073 4.350 -0.001 0.000 0.297 1139 T C -1.729 172.849 174.700 -0.203 0.000 1.013 1139 T CA -0.703 61.364 62.100 -0.054 0.000 0.990 1139 T CB 0.846 69.717 68.868 0.005 0.000 1.023 1139 T HN 0.359 nan 8.240 nan 0.000 0.447 1140 V N 3.645 123.235 119.914 -0.539 0.000 2.448 1140 V HA 0.675 4.794 4.120 -0.001 0.000 0.295 1140 V C 0.116 175.808 176.094 -0.670 0.000 1.025 1140 V CA -0.922 60.935 62.300 -0.738 0.000 0.859 1140 V CB 1.464 32.534 31.823 -1.255 0.000 0.988 1140 V HN 0.995 nan 8.190 nan 0.000 0.431 1141 R N 4.065 124.340 120.500 -0.376 0.000 2.435 1141 R HA 0.595 4.935 4.340 -0.001 0.000 0.308 1141 R C -1.677 174.508 176.300 -0.192 0.000 0.975 1141 R CA -0.793 55.171 56.100 -0.227 0.000 0.867 1141 R CB 1.219 31.449 30.300 -0.115 0.000 1.171 1141 R HN 0.632 nan 8.270 nan 0.000 0.470 1142 L N 4.852 125.972 121.223 -0.171 0.000 2.315 1142 L HA 0.376 4.716 4.340 -0.001 0.000 0.283 1142 L C 0.893 177.695 176.870 -0.114 0.000 1.089 1142 L CA 0.141 54.874 54.840 -0.179 0.000 0.833 1142 L CB 0.465 42.397 42.059 -0.213 0.000 1.170 1142 L HN 0.384 nan 8.230 nan 0.000 0.442 1143 R N 1.930 122.372 120.500 -0.096 0.000 2.649 1143 R HA 0.208 4.547 4.340 -0.001 0.000 0.270 1143 R C 0.273 176.545 176.300 -0.047 0.000 1.105 1143 R CA -0.944 55.123 56.100 -0.055 0.000 1.193 1143 R CB 0.583 30.862 30.300 -0.034 0.000 1.120 1143 R HN 0.512 nan 8.270 nan 0.000 0.561 1144 K N 0.310 120.694 120.400 -0.027 0.000 2.511 1144 K HA -0.090 4.230 4.320 -0.001 0.000 0.280 1144 K C 0.599 177.192 176.600 -0.012 0.000 1.008 1144 K CA 1.273 57.549 56.287 -0.018 0.000 1.050 1144 K CB 0.082 32.576 32.500 -0.009 0.000 0.889 1144 K HN 0.775 nan 8.250 nan 0.000 0.484 1145 G N 2.065 110.861 108.800 -0.007 0.000 2.307 1145 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.210 1145 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.210 1145 G C 0.169 175.077 174.900 0.013 0.000 1.005 1145 G CA -0.078 45.026 45.100 0.007 0.000 0.634 1145 G HN 1.001 nan 8.290 nan 0.000 0.496 1146 A N 0.690 123.499 122.820 -0.018 0.000 2.555 1146 A HA 0.531 4.851 4.320 -0.001 0.000 0.233 1146 A C 0.676 178.265 177.584 0.008 0.000 1.060 1146 A CA 1.695 53.704 52.037 -0.046 0.000 0.759 1146 A CB 0.075 18.959 19.000 -0.192 0.000 0.995 1146 A HN 1.041 nan 8.150 nan 0.000 0.506 1147 T N 2.843 117.450 114.554 0.089 0.000 2.771 1147 T HA 0.586 4.935 4.350 -0.001 0.000 0.281 1147 T C -0.172 174.599 174.700 0.118 0.000 0.982 1147 T CA -0.246 61.917 62.100 0.106 0.000 0.978 1147 T CB 0.647 69.593 68.868 0.130 0.000 0.930 1147 T HN 0.467 nan 8.240 nan 0.000 0.447 1148 L N 2.633 123.896 121.223 0.066 0.000 2.301 1148 L HA 0.647 4.987 4.340 -0.001 0.000 0.264 1148 L C -0.818 176.082 176.870 0.050 0.000 1.016 1148 L CA -1.313 53.560 54.840 0.055 0.000 0.821 1148 L CB 1.903 43.972 42.059 0.018 0.000 1.346 1148 L HN 0.400 nan 8.230 nan 0.000 0.429 1149 L N 2.783 124.031 121.223 0.042 0.000 2.319 1149 L HA 0.534 4.873 4.340 -0.001 0.000 0.281 1149 L C -0.822 176.057 176.870 0.015 0.000 1.005 1149 L CA -0.378 54.482 54.840 0.034 0.000 0.828 1149 L CB 1.897 43.982 42.059 0.043 0.000 1.227 1149 L HN 0.422 nan 8.230 nan 0.000 0.415 1150 I N 4.801 125.378 120.570 0.011 0.000 2.404 1150 I HA 0.386 4.556 4.170 -0.001 0.000 0.293 1150 I C -2.222 173.896 176.117 0.001 0.000 0.992 1150 I CA -2.119 59.182 61.300 0.002 0.000 1.149 1150 I CB 2.090 40.090 38.000 -0.000 0.000 1.315 1150 I HN 0.272 nan 8.210 nan 0.000 0.446 1151 P HA 0.218 nan 4.420 nan 0.000 0.271 1151 P C -1.299 175.998 177.300 -0.005 0.000 1.218 1151 P CA -0.340 62.758 63.100 -0.004 0.000 0.780 1151 P CB 0.581 32.278 31.700 -0.006 0.000 0.901 1152 K N 0.487 120.883 120.400 -0.006 0.000 2.469 1152 K HA 0.927 5.246 4.320 -0.001 0.000 0.268 1152 K C -1.582 175.015 176.600 -0.005 0.000 1.027 1152 K CA -1.280 55.004 56.287 -0.004 0.000 0.893 1152 K CB 1.798 34.296 32.500 -0.002 0.000 1.460 1152 K HN 0.297 nan 8.250 nan 0.000 0.449 1153 A N 1.092 123.913 122.820 0.001 0.000 2.454 1153 A HA 0.733 5.053 4.320 -0.001 0.000 0.302 1153 A C -1.330 176.265 177.584 0.018 0.000 1.079 1153 A CA -0.937 51.103 52.037 0.006 0.000 0.731 1153 A CB 1.275 20.279 19.000 0.005 0.000 1.299 1153 A HN 0.578 nan 8.150 nan 0.000 0.413 1154 L N 0.608 121.850 121.223 0.033 0.000 2.341 1154 L HA 0.467 4.807 4.340 -0.001 0.000 0.267 1154 L C -0.175 176.748 176.870 0.088 0.000 1.009 1154 L CA -0.587 54.291 54.840 0.064 0.000 0.819 1154 L CB 2.236 44.349 42.059 0.090 0.000 1.323 1154 L HN 0.831 nan 8.230 nan 0.000 0.425 1155 Q N 1.761 121.619 119.800 0.097 0.000 2.421 1155 Q HA 0.288 4.627 4.340 -0.001 0.000 0.242 1155 Q C -1.022 175.097 176.000 0.199 0.000 1.024 1155 Q CA -0.417 55.448 55.803 0.104 0.000 0.891 1155 Q CB 1.148 29.914 28.738 0.046 0.000 1.222 1155 Q HN 0.260 nan 8.270 nan 0.000 0.483 1156 F N 2.018 121.984 119.950 0.027 0.000 2.370 1156 F HA 0.154 4.680 4.527 -0.001 0.000 0.319 1156 F C 0.821 176.628 175.800 0.013 0.000 1.129 1156 F CA -0.590 57.438 58.000 0.046 0.000 1.109 1156 F CB 1.127 40.200 39.000 0.122 0.000 1.262 1156 F HN 0.517 nan 8.300 nan 0.000 0.534 1157 D N 1.236 121.289 120.400 -0.578 0.000 2.197 1157 D HA -0.028 4.611 4.640 -0.001 0.000 0.212 1157 D C 0.512 176.536 176.300 -0.460 0.000 0.963 1157 D CA 0.842 54.575 54.000 -0.445 0.000 0.864 1157 D CB -0.094 40.475 40.800 -0.384 0.000 1.009 1157 D HN 0.296 nan 8.370 nan 0.000 0.479 1158 R N 1.862 121.888 120.500 -0.790 0.000 2.606 1158 R HA 0.119 4.458 4.340 -0.001 0.000 0.276 1158 R C 0.541 176.770 176.300 -0.118 0.000 1.416 1158 R CA 0.063 55.945 56.100 -0.364 0.000 1.064 1158 R CB -0.427 29.699 30.300 -0.290 0.000 1.117 1158 R HN 0.202 nan 8.270 nan 0.000 0.543 1159 L N 1.016 122.212 121.223 -0.045 0.000 2.554 1159 L HA 0.100 4.439 4.340 -0.001 0.000 0.225 1159 L C 0.515 177.411 176.870 0.044 0.000 1.104 1159 L CA 0.304 55.152 54.840 0.012 0.000 0.866 1159 L CB 0.193 42.252 42.059 -0.001 0.000 1.047 1159 L HN 0.106 nan 8.230 nan 0.000 0.468 1160 V N -0.802 119.134 119.914 0.037 0.000 2.483 1160 V HA 0.911 5.031 4.120 -0.001 0.000 0.295 1160 V C -0.051 175.994 176.094 -0.082 0.000 1.035 1160 V CA -0.866 61.436 62.300 0.004 0.000 0.896 1160 V CB 1.164 32.992 31.823 0.009 0.000 0.986 1160 V HN 0.057 nan 8.190 nan 0.000 0.447 1161 A N 2.490 125.218 122.820 -0.153 0.000 2.566 1161 A HA 0.796 5.115 4.320 -0.001 0.000 0.297 1161 A C -0.081 177.378 177.584 -0.209 0.000 1.059 1161 A CA -0.122 51.741 52.037 -0.291 0.000 0.691 1161 A CB 1.496 20.006 19.000 -0.816 0.000 1.282 1161 A HN 1.423 nan 8.150 nan 0.000 0.401 1162 G N 0.955 109.674 108.800 -0.135 0.000 2.372 1162 G HA2 0.499 4.459 3.960 -0.001 0.000 0.286 1162 G HA3 0.499 4.459 3.960 -0.001 0.000 0.286 1162 G C -0.316 174.546 174.900 -0.064 0.000 1.153 1162 G CA -0.029 45.031 45.100 -0.067 0.000 0.985 1162 G HN 0.739 nan 8.290 nan 0.000 0.429 1163 Q N 1.829 121.584 119.800 -0.076 0.000 2.375 1163 Q HA 0.423 4.762 4.340 -0.001 0.000 0.271 1163 Q C -0.488 175.457 176.000 -0.093 0.000 1.074 1163 Q CA -1.143 54.651 55.803 -0.014 0.000 0.808 1163 Q CB 2.433 31.227 28.738 0.093 0.000 1.327 1163 Q HN 0.431 nan 8.270 nan 0.000 0.441 1164 I N 3.229 123.724 120.570 -0.124 0.000 2.996 1164 I HA -0.091 4.078 4.170 -0.001 0.000 0.311 1164 I C -2.067 173.989 176.117 -0.100 0.000 1.219 1164 I CA -0.670 60.509 61.300 -0.203 0.000 1.452 1164 I CB -0.288 37.505 38.000 -0.343 0.000 1.319 1164 I HN 0.433 nan 8.210 nan 0.000 0.564 1165 P HA -0.047 nan 4.420 nan 0.000 0.264 1165 P C -0.550 176.789 177.300 0.064 0.000 1.179 1165 P CA 0.163 63.256 63.100 -0.012 0.000 0.763 1165 P CB 0.130 31.847 31.700 0.029 0.000 0.806 1166 T N 3.194 117.794 114.554 0.077 0.000 2.825 1166 T HA 0.372 4.721 4.350 -0.001 0.000 0.270 1166 T C 1.273 175.988 174.700 0.024 0.000 0.919 1166 T CA 1.129 63.268 62.100 0.065 0.000 1.159 1166 T CB -0.759 68.153 68.868 0.074 0.000 0.889 1166 T HN 0.745 nan 8.240 nan 0.000 0.565 1167 G N 3.162 111.977 108.800 0.025 0.000 2.672 1167 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.197 1167 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.197 1167 G C 0.016 174.893 174.900 -0.038 0.000 0.995 1167 G CA -0.951 44.115 45.100 -0.057 0.000 0.754 1167 G HN 0.655 nan 8.290 nan 0.000 0.505 1168 W N 2.506 123.746 121.300 -0.101 0.000 2.295 1168 W HA 0.487 5.147 4.660 -0.001 0.000 0.335 1168 W C -0.420 176.068 176.519 -0.052 0.000 1.351 1168 W CA 1.300 58.605 57.345 -0.067 0.000 1.273 1168 W CB 0.687 30.164 29.460 0.029 0.000 1.214 1168 W HN 0.112 nan 8.180 nan 0.000 0.563 1169 D N 3.676 123.599 120.400 -0.794 0.000 2.970 1169 D HA 0.335 4.974 4.640 -0.001 0.000 0.230 1169 D C 0.694 176.393 176.300 -1.003 0.000 1.276 1169 D CA 0.044 53.628 54.000 -0.694 0.000 0.910 1169 D CB 1.830 42.393 40.800 -0.394 0.000 1.590 1169 D HN 0.417 nan 8.370 nan 0.000 0.551 1170 A N 3.687 126.013 122.820 -0.824 0.000 2.093 1170 A HA -0.216 4.104 4.320 -0.001 0.000 0.222 1170 A C 1.938 179.337 177.584 -0.309 0.000 1.162 1170 A CA 1.404 53.167 52.037 -0.457 0.000 0.655 1170 A CB -0.283 18.583 19.000 -0.224 0.000 0.805 1170 A HN 0.649 nan 8.150 nan 0.000 0.461 1171 R N -1.035 119.269 120.500 -0.328 0.000 2.115 1171 R HA -0.054 4.285 4.340 -0.001 0.000 0.230 1171 R C 2.402 178.547 176.300 -0.258 0.000 1.111 1171 R CA 1.295 57.246 56.100 -0.248 0.000 0.976 1171 R CB -0.193 29.973 30.300 -0.224 0.000 0.870 1171 R HN 0.535 nan 8.270 nan 0.000 0.445 1172 R N -0.769 119.476 120.500 -0.425 0.000 2.075 1172 R HA -0.118 4.222 4.340 -0.001 0.000 0.232 1172 R C 1.733 177.861 176.300 -0.286 0.000 1.126 1172 R CA 1.423 57.213 56.100 -0.516 0.000 0.963 1172 R CB -0.207 29.481 30.300 -1.021 0.000 0.858 1172 R HN 0.317 nan 8.270 nan 0.000 0.435 1173 Y N -0.651 119.578 120.300 -0.117 0.000 2.497 1173 Y HA -0.047 4.502 4.550 -0.001 0.000 0.292 1173 Y C 1.677 177.634 175.900 0.094 0.000 1.137 1173 Y CA 0.863 59.021 58.100 0.095 0.000 1.285 1173 Y CB 0.339 38.858 38.460 0.098 0.000 0.991 1173 Y HN 0.372 nan 8.280 nan 0.000 0.556 1174 G N -0.739 108.131 108.800 0.116 0.000 2.175 1174 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.182 1174 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.182 1174 G C -0.134 174.804 174.900 0.064 0.000 1.003 1174 G CA -0.162 45.007 45.100 0.115 0.000 0.666 1174 G HN 0.059 nan 8.290 nan 0.000 0.506 1175 V N 2.016 121.832 119.914 -0.162 0.000 2.694 1175 V HA 0.271 4.390 4.120 -0.001 0.000 0.306 1175 V C -1.162 174.827 176.094 -0.175 0.000 1.054 1175 V CA -0.406 61.650 62.300 -0.406 0.000 1.161 1175 V CB 0.659 32.137 31.823 -0.576 0.000 0.916 1175 V HN 0.202 nan 8.190 nan 0.000 0.490 1176 P HA 0.101 nan 4.420 nan 0.000 0.268 1176 P C 0.634 177.880 177.300 -0.090 0.000 1.205 1176 P CA -0.109 62.963 63.100 -0.047 0.000 0.771 1176 P CB 0.740 32.441 31.700 0.002 0.000 0.858 1177 E N 3.291 123.451 120.200 -0.066 0.000 2.033 1177 E HA -0.271 4.079 4.350 -0.001 0.000 0.199 1177 E C 1.271 177.822 176.600 -0.083 0.000 1.011 1177 E CA 2.209 58.563 56.400 -0.077 0.000 0.815 1177 E CB -0.700 28.968 29.700 -0.054 0.000 0.755 1177 E HN 0.529 nan 8.360 nan 0.000 0.451 1178 D N 0.605 120.969 120.400 -0.060 0.000 2.116 1178 D HA -0.227 4.412 4.640 -0.001 0.000 0.193 1178 D C 2.062 178.297 176.300 -0.108 0.000 0.998 1178 D CA 1.286 55.251 54.000 -0.059 0.000 0.836 1178 D CB -0.529 40.257 40.800 -0.023 0.000 0.951 1178 D HN 0.287 nan 8.370 nan 0.000 0.449 1179 I N 1.025 121.508 120.570 -0.144 0.000 2.335 1179 I HA -0.201 3.968 4.170 -0.001 0.000 0.251 1179 I C 2.561 178.502 176.117 -0.293 0.000 1.129 1179 I CA 0.609 61.747 61.300 -0.271 0.000 1.402 1179 I CB -0.491 37.342 38.000 -0.278 0.000 1.069 1179 I HN 0.056 nan 8.210 nan 0.000 0.424 1180 I N 0.555 120.995 120.570 -0.217 0.000 2.226 1180 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 1180 I C 2.428 178.445 176.117 -0.167 0.000 1.100 1180 I CA 1.447 62.628 61.300 -0.198 0.000 1.374 1180 I CB -1.016 36.888 38.000 -0.160 0.000 1.057 1180 I HN 0.373 nan 8.210 nan 0.000 0.413 1181 Q N -0.052 119.667 119.800 -0.134 0.000 2.389 1181 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 1181 Q C 2.010 177.954 176.000 -0.094 0.000 0.944 1181 Q CA 0.723 56.468 55.803 -0.097 0.000 0.908 1181 Q CB 0.021 28.718 28.738 -0.068 0.000 1.002 1181 Q HN 0.548 nan 8.270 nan 0.000 0.493 1182 Q N 0.253 119.973 119.800 -0.135 0.000 2.376 1182 Q HA 0.046 4.385 4.340 -0.001 0.000 0.206 1182 Q C 0.172 176.094 176.000 -0.130 0.000 0.921 1182 Q CA 0.348 56.087 55.803 -0.106 0.000 0.911 1182 Q CB 0.757 29.434 28.738 -0.102 0.000 1.032 1182 Q HN 0.014 nan 8.270 nan 0.000 0.510 1183 V N 0.484 120.256 119.914 -0.236 0.000 3.019 1183 V HA 0.310 4.430 4.120 -0.001 0.000 0.317 1183 V C -0.170 175.828 176.094 -0.159 0.000 1.094 1183 V CA -1.193 60.963 62.300 -0.240 0.000 1.000 1183 V CB 1.555 33.059 31.823 -0.532 0.000 1.060 1183 V HN 0.116 nan 8.190 nan 0.000 0.443 1184 D N 1.804 122.142 120.400 -0.104 0.000 2.424 1184 D HA 0.140 4.780 4.640 -0.001 0.000 0.244 1184 D C -1.647 174.542 176.300 -0.185 0.000 1.134 1184 D CA -1.319 52.625 54.000 -0.093 0.000 0.881 1184 D CB 2.049 42.831 40.800 -0.030 0.000 1.191 1184 D HN 0.195 nan 8.370 nan 0.000 0.445 1185 P HA -0.203 nan 4.420 nan 0.000 0.217 1185 P C 1.700 178.609 177.300 -0.652 0.000 1.158 1185 P CA 0.658 63.524 63.100 -0.389 0.000 0.887 1185 P CB 0.219 31.744 31.700 -0.292 0.000 0.792 1186 V N -0.611 119.067 119.914 -0.392 0.000 2.278 1186 V HA -0.326 3.793 4.120 -0.001 0.000 0.251 1186 V C 2.337 178.215 176.094 -0.360 0.000 1.062 1186 V CA 2.730 64.868 62.300 -0.270 0.000 1.038 1186 V CB -1.587 30.207 31.823 -0.049 0.000 0.646 1186 V HN 0.230 nan 8.190 nan 0.000 0.447 1187 T N -0.072 114.293 114.554 -0.314 0.000 2.759 1187 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 1187 T C 1.803 176.378 174.700 -0.208 0.000 1.042 1187 T CA 1.516 63.461 62.100 -0.259 0.000 1.140 1187 T CB -0.239 68.505 68.868 -0.207 0.000 0.864 1187 T HN 0.315 nan 8.240 nan 0.000 0.455 1188 L N -0.330 120.740 121.223 -0.255 0.000 2.017 1188 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 1188 L C 2.354 179.279 176.870 0.091 0.000 1.073 1188 L CA 1.801 56.559 54.840 -0.136 0.000 0.745 1188 L CB -0.745 41.226 42.059 -0.146 0.000 0.894 1188 L HN 0.446 nan 8.230 nan 0.000 0.432 1189 Y N -1.105 119.243 120.300 0.081 0.000 2.207 1189 Y HA -0.231 4.318 4.550 -0.001 0.000 0.287 1189 Y C 2.613 178.545 175.900 0.053 0.000 1.156 1189 Y CA 0.484 58.605 58.100 0.035 0.000 1.182 1189 Y CB -0.392 38.037 38.460 -0.052 0.000 0.979 1189 Y HN -0.066 nan 8.280 nan 0.000 0.521 1190 V N 0.235 120.217 119.914 0.114 0.000 2.323 1190 V HA -0.258 3.861 4.120 -0.001 0.000 0.244 1190 V C 2.250 178.434 176.094 0.150 0.000 1.041 1190 V CA 1.357 63.710 62.300 0.089 0.000 1.025 1190 V CB -0.569 31.200 31.823 -0.092 0.000 0.656 1190 V HN 0.390 nan 8.190 nan 0.000 0.451 1191 L N -0.537 120.765 121.223 0.131 0.000 1.989 1191 L HA -0.202 4.138 4.340 -0.001 0.000 0.211 1191 L C 2.530 179.594 176.870 0.324 0.000 1.071 1191 L CA 1.539 56.525 54.840 0.245 0.000 0.749 1191 L CB -0.652 41.449 42.059 0.071 0.000 0.890 1191 L HN 0.185 nan 8.230 nan 0.000 0.431 1192 V N -0.752 119.282 119.914 0.201 0.000 2.287 1192 V HA -0.347 3.773 4.120 -0.001 0.000 0.248 1192 V C 2.731 178.915 176.094 0.149 0.000 1.053 1192 V CA 2.047 64.443 62.300 0.160 0.000 1.027 1192 V CB -0.381 31.517 31.823 0.124 0.000 0.646 1192 V HN 0.554 nan 8.190 nan 0.000 0.447 1193 S N -0.322 115.482 115.700 0.173 0.000 2.378 1193 S HA -0.231 4.239 4.470 -0.001 0.000 0.221 1193 S C 1.998 176.702 174.600 0.174 0.000 1.037 1193 S CA 2.342 60.639 58.200 0.162 0.000 1.069 1193 S CB -0.498 62.814 63.200 0.187 0.000 1.006 1193 S HN 0.284 nan 8.310 nan 0.000 0.423 1194 V N 2.181 122.213 119.914 0.195 0.000 2.546 1194 V HA -0.189 3.930 4.120 -0.001 0.000 0.254 1194 V C 2.773 178.976 176.094 0.182 0.000 1.076 1194 V CA 1.849 64.262 62.300 0.187 0.000 1.087 1194 V CB -1.356 30.584 31.823 0.195 0.000 0.674 1194 V HN 0.669 nan 8.190 nan 0.000 0.470 1195 A N -1.058 121.890 122.820 0.213 0.000 1.929 1195 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 1195 A C 2.207 179.900 177.584 0.182 0.000 1.176 1195 A CA 1.482 53.627 52.037 0.179 0.000 0.628 1195 A CB -0.324 18.850 19.000 0.291 0.000 0.816 1195 A HN 0.573 nan 8.150 nan 0.000 0.444 1196 E N -0.591 119.719 120.200 0.184 0.000 2.299 1196 E HA 0.076 4.425 4.350 -0.001 0.000 0.193 1196 E C 2.057 178.780 176.600 0.205 0.000 0.998 1196 E CA 0.530 57.055 56.400 0.208 0.000 0.851 1196 E CB -0.075 29.737 29.700 0.187 0.000 0.795 1196 E HN 0.594 nan 8.360 nan 0.000 0.492 1197 A N 0.693 123.614 122.820 0.168 0.000 2.014 1197 A HA -0.059 4.261 4.320 -0.001 0.000 0.218 1197 A C 2.007 179.685 177.584 0.157 0.000 1.163 1197 A CA 0.559 52.681 52.037 0.142 0.000 0.652 1197 A CB -0.219 18.855 19.000 0.123 0.000 0.808 1197 A HN 0.160 nan 8.150 nan 0.000 0.449 1198 L N -1.061 120.265 121.223 0.171 0.000 2.179 1198 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 1198 L C 2.501 179.469 176.870 0.163 0.000 1.096 1198 L CA 0.895 55.837 54.840 0.169 0.000 0.779 1198 L CB -0.368 41.786 42.059 0.158 0.000 0.922 1198 L HN 0.474 nan 8.230 nan 0.000 0.443 1199 L N -0.082 121.263 121.223 0.203 0.000 2.072 1199 L HA -0.159 4.180 4.340 -0.001 0.000 0.205 1199 L C 2.587 179.609 176.870 0.254 0.000 1.079 1199 L CA 1.328 56.298 54.840 0.217 0.000 0.752 1199 L CB -0.058 42.155 42.059 0.257 0.000 0.906 1199 L HN 0.306 nan 8.230 nan 0.000 0.436 1200 S N -2.537 113.369 115.700 0.343 0.000 2.653 1200 S HA -0.087 4.383 4.470 -0.001 0.000 0.233 1200 S C 1.326 176.111 174.600 0.307 0.000 0.970 1200 S CA 0.794 59.266 58.200 0.453 0.000 0.947 1200 S CB -0.038 63.340 63.200 0.297 0.000 0.771 1200 S HN 0.370 nan 8.310 nan 0.000 0.538 1201 S N -0.705 115.110 115.700 0.192 0.000 3.009 1201 S HA 0.498 4.967 4.470 -0.001 0.000 0.254 1201 S C 1.116 175.731 174.600 0.024 0.000 1.004 1201 S CA 0.319 58.564 58.200 0.075 0.000 1.119 1201 S CB -0.330 62.941 63.200 0.119 0.000 1.075 1201 S HN 1.171 nan 8.310 nan 0.000 0.618 1202 G N 1.765 110.637 108.800 0.120 0.000 2.184 1202 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.264 1202 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.264 1202 G C 0.037 174.944 174.900 0.012 0.000 0.975 1202 G CA 0.356 45.538 45.100 0.136 0.000 0.642 1202 G HN 0.527 nan 8.290 nan 0.000 0.536 1203 I N 2.019 122.570 120.570 -0.032 0.000 2.337 1203 I HA 0.248 4.418 4.170 -0.001 0.000 0.291 1203 I C 1.462 177.536 176.117 -0.071 0.000 1.046 1203 I CA 0.450 61.668 61.300 -0.137 0.000 1.324 1203 I CB 0.628 38.490 38.000 -0.231 0.000 1.409 1203 I HN 0.022 nan 8.210 nan 0.000 0.494 1204 T N 3.409 117.873 114.554 -0.150 0.000 2.904 1204 T HA -0.030 4.319 4.350 -0.001 0.000 0.243 1204 T C 0.553 175.111 174.700 -0.237 0.000 1.024 1204 T CA 0.735 62.680 62.100 -0.258 0.000 1.158 1204 T CB 0.093 68.653 68.868 -0.514 0.000 0.867 1204 T HN 0.542 nan 8.240 nan 0.000 0.429 1205 D N 1.489 121.751 120.400 -0.230 0.000 2.274 1205 D HA 0.242 4.882 4.640 -0.001 0.000 0.239 1205 D C -2.030 174.181 176.300 -0.150 0.000 1.104 1205 D CA -2.520 51.366 54.000 -0.190 0.000 0.840 1205 D CB 1.876 42.590 40.800 -0.145 0.000 1.100 1205 D HN -0.009 nan 8.370 nan 0.000 0.477 1206 P HA -0.087 nan 4.420 nan 0.000 0.226 1206 P C 0.863 178.232 177.300 0.115 0.000 1.153 1206 P CA 0.578 63.694 63.100 0.027 0.000 0.777 1206 P CB 0.065 31.824 31.700 0.098 0.000 0.794 1207 Y N 0.552 120.870 120.300 0.030 0.000 2.403 1207 Y HA -0.146 4.403 4.550 -0.001 0.000 0.291 1207 Y C 2.335 178.199 175.900 -0.060 0.000 1.143 1207 Y CA 0.191 58.350 58.100 0.099 0.000 1.257 1207 Y CB -1.251 37.276 38.460 0.111 0.000 0.984 1207 Y HN 0.171 nan 8.280 nan 0.000 0.550 1208 E N -0.204 119.996 120.200 0.000 0.000 2.171 1208 E HA -0.235 4.114 4.350 -0.001 0.000 0.197 1208 E C 1.724 178.271 176.600 -0.088 0.000 0.997 1208 E CA 1.099 57.445 56.400 -0.091 0.000 0.810 1208 E CB -0.456 29.145 29.700 -0.165 0.000 0.738 1208 E HN 0.466 nan 8.360 nan 0.000 0.467 1209 F N -0.565 119.304 119.950 -0.136 0.000 2.202 1209 F HA -0.203 4.323 4.527 -0.001 0.000 0.301 1209 F C 1.114 176.799 175.800 -0.191 0.000 1.082 1209 F CA 0.694 58.575 58.000 -0.199 0.000 1.313 1209 F CB -0.035 38.688 39.000 -0.461 0.000 1.024 1209 F HN 0.140 nan 8.300 nan 0.000 0.495 1210 Y N -0.004 120.441 120.300 0.243 0.000 2.496 1210 Y HA 0.099 4.648 4.550 -0.001 0.000 0.313 1210 Y C 1.471 177.358 175.900 -0.023 0.000 1.184 1210 Y CA -0.524 57.640 58.100 0.105 0.000 1.275 1210 Y CB -1.010 37.439 38.460 -0.018 0.000 1.103 1210 Y HN 0.004 nan 8.280 nan 0.000 0.513 1211 K N -0.811 119.584 120.400 -0.009 0.000 2.063 1211 K HA -0.012 4.308 4.320 -0.001 0.000 0.204 1211 K C 0.926 177.402 176.600 -0.207 0.000 1.039 1211 K CA 1.141 57.277 56.287 -0.251 0.000 0.957 1211 K CB -0.163 31.949 32.500 -0.647 0.000 0.764 1211 K HN 0.278 nan 8.250 nan 0.000 0.447 1212 Y N 0.060 120.424 120.300 0.106 0.000 2.519 1212 Y HA 0.111 4.660 4.550 -0.001 0.000 0.287 1212 Y C 0.628 176.617 175.900 0.148 0.000 1.128 1212 Y CA -0.183 57.985 58.100 0.114 0.000 1.282 1212 Y CB 0.549 39.070 38.460 0.102 0.000 1.027 1212 Y HN -0.229 nan 8.280 nan 0.000 0.551 1213 V N -0.974 119.136 119.914 0.327 0.000 2.971 1213 V HA 0.194 4.313 4.120 -0.001 0.000 0.309 1213 V C -1.016 175.308 176.094 0.384 0.000 1.130 1213 V CA -1.445 61.040 62.300 0.307 0.000 0.964 1213 V CB 2.085 34.068 31.823 0.267 0.000 1.029 1213 V HN 0.102 nan 8.190 nan 0.000 0.427 1214 H N 2.157 121.360 119.070 0.221 0.000 2.690 1214 H HA 0.320 4.876 4.556 -0.001 0.000 0.365 1214 H C 0.983 176.445 175.328 0.222 0.000 1.142 1214 H CA 0.281 56.442 56.048 0.189 0.000 1.417 1214 H CB 0.835 30.636 29.762 0.065 0.000 1.446 1214 H HN 0.551 nan 8.280 nan 0.000 0.599 1215 L N 1.800 122.629 121.223 -0.656 0.000 2.263 1215 L HA -0.191 4.149 4.340 -0.001 0.000 0.216 1215 L C 1.604 178.271 176.870 -0.338 0.000 1.111 1215 L CA 1.781 56.296 54.840 -0.542 0.000 0.773 1215 L CB -0.494 41.033 42.059 -0.887 0.000 0.906 1215 L HN 0.642 nan 8.230 nan 0.000 0.439 1216 S N -2.366 113.123 115.700 -0.352 0.000 2.622 1216 S HA 0.126 4.596 4.470 -0.001 0.000 0.236 1216 S C 0.871 175.486 174.600 0.025 0.000 0.956 1216 S CA -0.349 57.796 58.200 -0.092 0.000 0.971 1216 S CB 0.233 63.446 63.200 0.021 0.000 0.782 1216 S HN 0.430 nan 8.310 nan 0.000 0.468 1217 E N 0.211 120.441 120.200 0.051 0.000 2.641 1217 E HA 0.187 4.537 4.350 -0.001 0.000 0.224 1217 E C -0.866 175.730 176.600 -0.007 0.000 0.951 1217 E CA -0.026 56.400 56.400 0.044 0.000 1.102 1217 E CB 1.356 31.105 29.700 0.082 0.000 1.091 1217 E HN 0.336 nan 8.360 nan 0.000 0.507 1218 V N 1.968 121.878 119.914 -0.006 0.000 2.299 1218 V HA 0.349 4.468 4.120 -0.001 0.000 0.255 1218 V C 0.645 176.708 176.094 -0.051 0.000 1.100 1218 V CA -0.476 61.759 62.300 -0.108 0.000 0.938 1218 V CB 0.407 32.160 31.823 -0.117 0.000 1.139 1218 V HN 0.128 nan 8.190 nan 0.000 0.490 1219 G N 3.051 111.818 108.800 -0.055 0.000 2.476 1219 G HA2 0.392 4.352 3.960 -0.001 0.000 0.286 1219 G HA3 0.392 4.352 3.960 -0.001 0.000 0.286 1219 G C -0.478 174.421 174.900 -0.002 0.000 1.177 1219 G CA -0.611 44.480 45.100 -0.015 0.000 0.870 1219 G HN 0.658 nan 8.290 nan 0.000 0.528 1220 N N -0.304 118.412 118.700 0.027 0.000 2.549 1220 N HA 0.276 5.016 4.740 -0.001 0.000 0.281 1220 N C -0.925 174.624 175.510 0.066 0.000 1.084 1220 N CA -0.746 52.336 53.050 0.053 0.000 0.862 1220 N CB 1.222 39.752 38.487 0.071 0.000 1.333 1220 N HN 0.314 nan 8.380 nan 0.000 0.523 1221 C N 5.077 124.420 119.300 0.072 0.000 2.624 1221 C HA 0.406 4.866 4.460 -0.001 0.000 0.263 1221 C C 0.382 175.426 174.990 0.090 0.000 1.587 1221 C CA -0.568 58.493 59.018 0.072 0.000 1.718 1221 C CB -1.815 25.959 27.740 0.056 0.000 3.050 1221 C HN 0.634 nan 8.230 nan 0.000 0.517 1222 I N 1.649 122.299 120.570 0.133 0.000 2.441 1222 I HA 0.484 4.654 4.170 -0.001 0.000 0.287 1222 I C 1.009 177.216 176.117 0.151 0.000 1.049 1222 I CA 0.665 62.072 61.300 0.180 0.000 1.381 1222 I CB 0.769 38.945 38.000 0.293 0.000 1.409 1222 I HN 0.468 nan 8.210 nan 0.000 0.523 1223 G N 3.635 112.436 108.800 0.002 0.000 3.140 1223 G HA2 0.812 4.771 3.960 -0.001 0.000 0.271 1223 G HA3 0.812 4.771 3.960 -0.001 0.000 0.271 1223 G C -1.015 173.536 174.900 -0.582 0.000 1.370 1223 G CA -0.305 44.701 45.100 -0.157 0.000 1.014 1223 G HN 0.691 nan 8.290 nan 0.000 0.541 1224 S N -3.121 112.282 115.700 -0.495 0.000 2.636 1224 S HA 0.579 5.049 4.470 -0.001 0.000 0.266 1224 S C 0.814 175.264 174.600 -0.251 0.000 1.147 1224 S CA 0.505 58.345 58.200 -0.601 0.000 0.815 1224 S CB 0.960 63.501 63.200 -1.099 0.000 1.119 1224 S HN 1.538 nan 8.310 nan 0.000 0.470 1225 G N -0.183 108.517 108.800 -0.165 0.000 2.408 1225 G HA2 0.283 4.242 3.960 -0.001 0.000 0.213 1225 G HA3 0.283 4.242 3.960 -0.001 0.000 0.213 1225 G C 0.998 175.866 174.900 -0.054 0.000 1.177 1225 G CA 1.269 46.326 45.100 -0.071 0.000 0.802 1225 G HN 1.504 nan 8.290 nan 0.000 0.533 1226 V N -2.888 117.005 119.914 -0.036 0.000 3.261 1226 V HA 0.583 4.702 4.120 -0.001 0.000 0.212 1226 V C 1.336 177.454 176.094 0.040 0.000 1.381 1226 V CA 0.285 62.571 62.300 -0.023 0.000 1.322 1226 V CB -0.925 30.867 31.823 -0.052 0.000 1.188 1226 V HN 1.141 nan 8.190 nan 0.000 0.520 1227 G N 0.720 109.588 108.800 0.114 0.000 3.106 1227 G HA2 0.336 4.295 3.960 -0.001 0.000 0.352 1227 G HA3 0.336 4.295 3.960 -0.001 0.000 0.352 1227 G C 1.001 176.042 174.900 0.235 0.000 0.563 1227 G CA 0.408 45.688 45.100 0.301 0.000 0.945 1227 G HN 2.288 nan 8.290 nan 0.000 0.470 1228 G N 1.139 110.050 108.800 0.187 0.000 2.138 1228 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.193 1228 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.193 1228 G C 1.213 176.144 174.900 0.051 0.000 0.998 1228 G CA 0.966 46.130 45.100 0.106 0.000 0.668 1228 G HN 1.891 nan 8.290 nan 0.000 0.516 1229 T N 0.102 114.688 114.554 0.054 0.000 2.897 1229 T HA -0.085 4.265 4.350 -0.001 0.000 0.271 1229 T C 2.350 177.046 174.700 -0.007 0.000 1.084 1229 T CA 1.991 64.093 62.100 0.004 0.000 1.123 1229 T CB -0.056 68.822 68.868 0.016 0.000 0.865 1229 T HN 0.463 nan 8.240 nan 0.000 0.496 1230 S N 0.437 116.149 115.700 0.019 0.000 2.388 1230 S HA 0.193 4.662 4.470 -0.001 0.000 0.223 1230 S C 2.413 177.023 174.600 0.017 0.000 1.034 1230 S CA 0.717 58.927 58.200 0.016 0.000 0.963 1230 S CB -0.378 62.836 63.200 0.023 0.000 0.827 1230 S HN 0.544 nan 8.310 nan 0.000 0.481 1231 A N 1.431 124.267 122.820 0.026 0.000 1.968 1231 A HA 0.154 4.473 4.320 -0.001 0.000 0.217 1231 A C 2.101 179.712 177.584 0.045 0.000 1.169 1231 A CA 0.779 52.839 52.037 0.038 0.000 0.638 1231 A CB -0.729 18.302 19.000 0.052 0.000 0.812 1231 A HN 0.540 nan 8.150 nan 0.000 0.446 1232 L N -0.399 120.836 121.223 0.020 0.000 2.129 1232 L HA -0.228 4.111 4.340 -0.001 0.000 0.212 1232 L C 2.817 179.716 176.870 0.048 0.000 1.087 1232 L CA 2.073 56.915 54.840 0.003 0.000 0.757 1232 L CB -0.350 41.653 42.059 -0.094 0.000 0.896 1232 L HN 0.586 nan 8.230 nan 0.000 0.434 1233 R N -0.190 120.320 120.500 0.017 0.000 2.062 1233 R HA -0.103 4.237 4.340 -0.001 0.000 0.226 1233 R C 2.088 178.430 176.300 0.070 0.000 1.125 1233 R CA 1.372 57.486 56.100 0.023 0.000 0.966 1233 R CB -0.626 29.664 30.300 -0.017 0.000 0.861 1233 R HN 0.345 nan 8.270 nan 0.000 0.433 1234 G N 1.134 109.967 108.800 0.055 0.000 2.479 1234 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.220 1234 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.220 1234 G C 1.382 176.318 174.900 0.060 0.000 1.115 1234 G CA 0.832 45.962 45.100 0.050 0.000 0.757 1234 G HN 0.386 nan 8.290 nan 0.000 0.560 1235 M N -1.349 118.311 119.600 0.099 0.000 2.191 1235 M HA 0.169 4.648 4.480 -0.001 0.000 0.262 1235 M C 1.932 178.225 176.300 -0.012 0.000 1.083 1235 M CA 1.062 56.396 55.300 0.057 0.000 1.154 1235 M CB 0.268 32.949 32.600 0.135 0.000 1.344 1235 M HN 0.215 nan 8.290 nan 0.000 0.431 1236 Y N -0.216 120.062 120.300 -0.037 0.000 2.500 1236 Y HA 0.113 4.663 4.550 -0.001 0.000 0.270 1236 Y C 2.202 178.075 175.900 -0.044 0.000 1.134 1236 Y CA 0.701 58.768 58.100 -0.056 0.000 1.293 1236 Y CB 0.119 38.528 38.460 -0.085 0.000 1.063 1236 Y HN 0.280 nan 8.280 nan 0.000 0.534 1237 K N -0.944 119.528 120.400 0.121 0.000 2.757 1237 K HA 0.036 4.355 4.320 -0.001 0.000 0.201 1237 K C 0.899 177.566 176.600 0.112 0.000 1.495 1237 K CA 0.496 56.846 56.287 0.106 0.000 1.090 1237 K CB -0.013 32.519 32.500 0.054 0.000 1.796 1237 K HN -0.189 nan 8.250 nan 0.000 0.523 1238 D N 1.260 121.701 120.400 0.069 0.000 2.311 1238 D HA -0.130 4.509 4.640 -0.001 0.000 0.212 1238 D C 1.787 178.110 176.300 0.040 0.000 0.972 1238 D CA 0.959 54.987 54.000 0.046 0.000 0.887 1238 D CB 0.165 40.984 40.800 0.032 0.000 0.915 1238 D HN 0.266 nan 8.370 nan 0.000 0.497 1239 R N -0.991 119.540 120.500 0.052 0.000 2.128 1239 R HA -0.062 4.277 4.340 -0.001 0.000 0.211 1239 R C 2.061 178.388 176.300 0.044 0.000 1.067 1239 R CA 0.267 56.385 56.100 0.030 0.000 1.010 1239 R CB -0.367 29.940 30.300 0.012 0.000 0.922 1239 R HN 0.124 nan 8.270 nan 0.000 0.457 1240 Y N 0.083 120.356 120.300 -0.045 0.000 2.574 1240 Y HA -0.001 4.549 4.550 -0.001 0.000 0.294 1240 Y C 1.056 176.935 175.900 -0.035 0.000 1.142 1240 Y CA 0.861 58.933 58.100 -0.046 0.000 1.314 1240 Y CB 0.269 38.703 38.460 -0.044 0.000 0.991 1240 Y HN 0.140 nan 8.280 nan 0.000 0.555 1241 L N 0.374 121.570 121.223 -0.044 0.000 2.607 1241 L HA 0.139 4.478 4.340 -0.001 0.000 0.228 1241 L C 0.464 177.275 176.870 -0.098 0.000 1.123 1241 L CA 0.804 55.586 54.840 -0.097 0.000 0.890 1241 L CB -0.112 41.948 42.059 0.001 0.000 1.103 1241 L HN 0.145 nan 8.230 nan 0.000 0.468 1242 D N 0.012 120.359 120.400 -0.088 0.000 2.945 1242 D HA -0.227 4.413 4.640 -0.001 0.000 0.225 1242 D C 0.299 176.574 176.300 -0.042 0.000 1.158 1242 D CA 0.719 54.675 54.000 -0.072 0.000 0.805 1242 D CB -0.510 40.232 40.800 -0.097 0.000 1.098 1242 D HN 0.295 nan 8.370 nan 0.000 0.426 1243 K N 0.083 120.469 120.400 -0.024 0.000 2.168 1243 K HA 0.402 4.721 4.320 -0.001 0.000 0.258 1243 K C -2.297 174.298 176.600 -0.008 0.000 1.010 1243 K CA -1.383 54.896 56.287 -0.012 0.000 0.929 1243 K CB 0.387 32.887 32.500 -0.001 0.000 0.998 1243 K HN -0.003 nan 8.250 nan 0.000 0.479 1244 P HA 0.083 nan 4.420 nan 0.000 0.273 1244 P C -1.104 176.198 177.300 0.002 0.000 1.319 1244 P CA -0.110 62.988 63.100 -0.003 0.000 0.885 1244 P CB 0.441 32.139 31.700 -0.003 0.000 1.015 1245 V N 3.918 123.834 119.914 0.004 0.000 2.815 1245 V HA 0.260 4.380 4.120 -0.001 0.000 0.314 1245 V C 0.577 176.678 176.094 0.012 0.000 1.064 1245 V CA -0.920 61.386 62.300 0.010 0.000 0.952 1245 V CB 1.835 33.666 31.823 0.014 0.000 1.020 1245 V HN 0.413 nan 8.190 nan 0.000 0.439 1246 Q N 1.498 121.310 119.800 0.019 0.000 2.540 1246 Q HA 0.127 4.467 4.340 -0.001 0.000 0.256 1246 Q C 0.564 176.581 176.000 0.028 0.000 1.084 1246 Q CA 0.044 55.862 55.803 0.026 0.000 0.956 1246 Q CB 0.859 29.618 28.738 0.036 0.000 1.303 1246 Q HN 0.511 nan 8.270 nan 0.000 0.509 1247 K N 0.461 120.881 120.400 0.032 0.000 2.305 1247 K HA -0.088 4.231 4.320 -0.001 0.000 0.199 1247 K C 0.120 176.748 176.600 0.046 0.000 1.047 1247 K CA 1.042 57.348 56.287 0.031 0.000 0.976 1247 K CB 0.319 32.835 32.500 0.027 0.000 0.765 1247 K HN 0.598 nan 8.250 nan 0.000 0.474 1248 D N 0.006 120.444 120.400 0.063 0.000 2.501 1248 D HA -0.018 4.622 4.640 -0.001 0.000 0.226 1248 D C 1.019 177.383 176.300 0.108 0.000 1.198 1248 D CA -0.212 53.841 54.000 0.088 0.000 0.830 1248 D CB -0.307 40.554 40.800 0.102 0.000 1.014 1248 D HN 0.127 nan 8.370 nan 0.000 0.496 1249 I N -2.268 118.353 120.570 0.084 0.000 2.850 1249 I HA -0.083 4.086 4.170 -0.001 0.000 0.266 1249 I C 1.775 177.952 176.117 0.100 0.000 1.257 1249 I CA 0.458 61.810 61.300 0.087 0.000 1.465 1249 I CB -0.581 37.454 38.000 0.059 0.000 1.091 1249 I HN 0.033 nan 8.210 nan 0.000 0.467 1250 L N 0.824 122.112 121.223 0.109 0.000 2.046 1250 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 1250 L C 2.550 179.583 176.870 0.273 0.000 1.077 1250 L CA 1.797 56.716 54.840 0.132 0.000 0.747 1250 L CB -0.997 41.151 42.059 0.149 0.000 0.896 1250 L HN 0.365 nan 8.230 nan 0.000 0.432 1251 Q N -0.444 119.531 119.800 0.291 0.000 2.096 1251 Q HA -0.231 4.109 4.340 -0.001 0.000 0.208 1251 Q C 1.375 177.616 176.000 0.401 0.000 0.993 1251 Q CA 2.009 58.017 55.803 0.341 0.000 0.862 1251 Q CB -0.166 28.709 28.738 0.227 0.000 0.915 1251 Q HN 0.576 nan 8.270 nan 0.000 0.416 1252 E N -0.442 119.927 120.200 0.281 0.000 2.465 1252 E HA -0.003 4.346 4.350 -0.001 0.000 0.191 1252 E C 1.322 178.026 176.600 0.174 0.000 1.053 1252 E CA 0.434 56.986 56.400 0.253 0.000 0.869 1252 E CB 0.506 30.321 29.700 0.193 0.000 0.977 1252 E HN 0.298 nan 8.360 nan 0.000 0.483 1253 S N -0.560 115.200 115.700 0.101 0.000 2.535 1253 S HA 0.133 4.603 4.470 -0.001 0.000 0.214 1253 S C 0.501 175.046 174.600 -0.092 0.000 0.980 1253 S CA -0.500 57.676 58.200 -0.040 0.000 0.907 1253 S CB -0.290 62.820 63.200 -0.149 0.000 0.790 1253 S HN -0.036 nan 8.310 nan 0.000 0.510 1254 F N 1.434 121.451 119.950 0.113 0.000 2.399 1254 F HA 0.368 4.895 4.527 -0.001 0.000 0.342 1254 F C 1.563 177.452 175.800 0.148 0.000 1.106 1254 F CA -0.725 57.339 58.000 0.106 0.000 1.196 1254 F CB 1.004 40.055 39.000 0.086 0.000 1.163 1254 F HN -0.178 nan 8.300 nan 0.000 0.547 1255 V N 2.020 122.123 119.914 0.316 0.000 2.469 1255 V HA -0.308 3.812 4.120 -0.001 0.000 0.251 1255 V C 1.987 178.289 176.094 0.346 0.000 1.064 1255 V CA 2.107 64.585 62.300 0.297 0.000 1.066 1255 V CB -0.635 31.285 31.823 0.162 0.000 0.667 1255 V HN 0.876 nan 8.190 nan 0.000 0.461 1256 N N -0.782 118.086 118.700 0.280 0.000 2.322 1256 N HA -0.051 4.688 4.740 -0.001 0.000 0.194 1256 N C 1.191 176.803 175.510 0.170 0.000 1.126 1256 N CA 0.889 54.060 53.050 0.202 0.000 0.845 1256 N CB 0.254 38.809 38.487 0.114 0.000 0.976 1256 N HN 0.413 nan 8.380 nan 0.000 0.475 1257 T N 0.863 115.555 114.554 0.229 0.000 2.978 1257 T HA 0.073 4.422 4.350 -0.001 0.000 0.262 1257 T C 1.776 176.635 174.700 0.265 0.000 1.063 1257 T CA 0.571 62.776 62.100 0.176 0.000 1.140 1257 T CB 0.043 69.073 68.868 0.270 0.000 0.886 1257 T HN 0.039 nan 8.240 nan 0.000 0.470 1258 M N 2.092 121.862 119.600 0.284 0.000 2.126 1258 M HA 0.018 4.497 4.480 -0.001 0.000 0.259 1258 M C 2.752 179.193 176.300 0.235 0.000 1.073 1258 M CA 1.845 57.268 55.300 0.205 0.000 1.103 1258 M CB -1.286 31.265 32.600 -0.081 0.000 1.284 1258 M HN 0.275 nan 8.290 nan 0.000 0.420 1259 A N -0.028 122.936 122.820 0.240 0.000 1.915 1259 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 1259 A C 2.426 180.098 177.584 0.147 0.000 1.198 1259 A CA 2.926 55.082 52.037 0.198 0.000 0.647 1259 A CB -1.525 17.583 19.000 0.181 0.000 0.825 1259 A HN 0.575 nan 8.150 nan 0.000 0.456 1260 A N -1.799 121.071 122.820 0.083 0.000 1.883 1260 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 1260 A C 2.020 179.604 177.584 0.000 0.000 1.186 1260 A CA 1.476 53.497 52.037 -0.027 0.000 0.624 1260 A CB -1.028 17.867 19.000 -0.176 0.000 0.822 1260 A HN 0.777 nan 8.150 nan 0.000 0.444 1261 W N -0.280 121.069 121.300 0.082 0.000 2.374 1261 W HA -0.129 4.530 4.660 -0.001 0.000 0.288 1261 W C 2.193 178.782 176.519 0.117 0.000 1.218 1261 W CA 1.078 58.475 57.345 0.087 0.000 1.245 1261 W CB -0.246 29.253 29.460 0.064 0.000 1.126 1261 W HN 0.155 nan 8.180 nan 0.000 0.545 1262 V N 0.035 120.152 119.914 0.338 0.000 2.407 1262 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 1262 V C 1.661 177.886 176.094 0.217 0.000 1.055 1262 V CA 2.294 64.754 62.300 0.267 0.000 1.049 1262 V CB -0.942 31.010 31.823 0.214 0.000 0.662 1262 V HN 0.261 nan 8.190 nan 0.000 0.455 1263 N N -0.815 117.992 118.700 0.178 0.000 2.416 1263 N HA 0.025 4.765 4.740 -0.001 0.000 0.177 1263 N C 1.587 177.188 175.510 0.152 0.000 1.036 1263 N CA 0.575 53.714 53.050 0.148 0.000 0.901 1263 N CB -0.012 38.538 38.487 0.106 0.000 0.976 1263 N HN 0.416 nan 8.380 nan 0.000 0.444 1264 M N -0.621 119.076 119.600 0.161 0.000 2.495 1264 M HA 0.166 4.645 4.480 -0.001 0.000 0.237 1264 M C 0.683 177.122 176.300 0.231 0.000 1.131 1264 M CA 0.483 55.877 55.300 0.156 0.000 1.032 1264 M CB 0.576 33.216 32.600 0.066 0.000 1.513 1264 M HN 0.146 nan 8.290 nan 0.000 0.488 1265 L N -1.787 119.590 121.223 0.256 0.000 2.766 1265 L HA 0.232 4.571 4.340 -0.001 0.000 0.241 1265 L C 1.473 178.410 176.870 0.112 0.000 1.080 1265 L CA 0.072 55.062 54.840 0.250 0.000 0.909 1265 L CB 0.376 42.673 42.059 0.398 0.000 1.277 1265 L HN 0.226 nan 8.230 nan 0.000 0.510 1266 L N -0.288 120.991 121.223 0.093 0.000 3.087 1266 L HA 0.220 4.560 4.340 -0.001 0.000 0.169 1266 L C 0.419 177.315 176.870 0.043 0.000 1.276 1266 L CA -0.107 54.723 54.840 -0.017 0.000 0.865 1266 L CB 0.120 42.168 42.059 -0.018 0.000 1.368 1266 L HN 0.025 nan 8.230 nan 0.000 0.548 1267 L N 0.464 121.774 121.223 0.146 0.000 2.352 1267 L HA 0.411 4.751 4.340 -0.001 0.000 0.272 1267 L C 0.186 177.254 176.870 0.330 0.000 1.109 1267 L CA -0.538 54.462 54.840 0.267 0.000 0.952 1267 L CB 0.431 42.617 42.059 0.212 0.000 1.314 1267 L HN 0.137 nan 8.230 nan 0.000 0.427 1268 S N 1.699 117.649 115.700 0.416 0.000 2.429 1268 S HA 0.451 4.920 4.470 -0.001 0.000 0.292 1268 S C 0.331 175.078 174.600 0.244 0.000 1.183 1268 S CA -0.057 58.327 58.200 0.305 0.000 1.088 1268 S CB 0.123 63.496 63.200 0.288 0.000 1.018 1268 S HN 0.874 nan 8.310 nan 0.000 0.511 1269 S N 1.933 117.733 115.700 0.167 0.000 2.546 1269 S HA 0.510 4.979 4.470 -0.001 0.000 0.274 1269 S C -0.150 174.437 174.600 -0.022 0.000 1.121 1269 S CA -0.839 57.408 58.200 0.079 0.000 0.887 1269 S CB 1.464 64.781 63.200 0.194 0.000 1.094 1269 S HN 0.496 nan 8.310 nan 0.000 0.474 1270 T N 2.564 117.014 114.554 -0.173 0.000 3.327 1270 T HA 0.410 4.759 4.350 -0.001 0.000 0.241 1270 T C 0.814 175.460 174.700 -0.091 0.000 0.907 1270 T CA -0.046 61.947 62.100 -0.179 0.000 0.931 1270 T CB -0.698 67.915 68.868 -0.426 0.000 1.112 1270 T HN 0.877 nan 8.240 nan 0.000 0.589 1271 G N 2.236 111.018 108.800 -0.031 0.000 2.528 1271 G HA2 0.543 4.503 3.960 -0.001 0.000 0.289 1271 G HA3 0.543 4.503 3.960 -0.001 0.000 0.289 1271 G C -2.630 172.270 174.900 0.001 0.000 1.192 1271 G CA -1.562 43.532 45.100 -0.009 0.000 0.921 1271 G HN 0.130 nan 8.290 nan 0.000 0.512 1272 P HA 0.281 nan 4.420 nan 0.000 0.269 1272 P C -0.296 177.014 177.300 0.017 0.000 1.215 1272 P CA 0.039 63.144 63.100 0.008 0.000 0.780 1272 P CB 0.747 32.450 31.700 0.005 0.000 0.898 1273 I N -1.759 118.823 120.570 0.020 0.000 2.512 1273 I HA 0.565 4.735 4.170 -0.001 0.000 0.287 1273 I C -1.034 175.101 176.117 0.030 0.000 1.069 1273 I CA -0.876 60.442 61.300 0.031 0.000 1.056 1273 I CB 2.324 40.346 38.000 0.037 0.000 1.229 1273 I HN 0.058 nan 8.210 nan 0.000 0.429 1274 K N 5.084 125.505 120.400 0.035 0.000 2.604 1274 K HA 0.416 4.735 4.320 -0.001 0.000 0.247 1274 K C -0.677 175.948 176.600 0.042 0.000 0.956 1274 K CA -0.546 55.761 56.287 0.033 0.000 0.896 1274 K CB 2.125 34.641 32.500 0.026 0.000 1.131 1274 K HN 0.797 nan 8.250 nan 0.000 0.440 1275 T N 0.594 115.177 114.554 0.048 0.000 2.771 1275 T HA 0.599 4.948 4.350 -0.001 0.000 0.281 1275 T C -2.332 172.390 174.700 0.035 0.000 0.982 1275 T CA -1.885 60.248 62.100 0.055 0.000 0.978 1275 T CB 1.140 70.060 68.868 0.088 0.000 0.930 1275 T HN 0.153 nan 8.240 nan 0.000 0.447 1276 P HA 0.654 nan 4.420 nan 0.000 0.287 1276 P C -1.208 176.079 177.300 -0.022 0.000 1.290 1276 P CA -1.008 62.092 63.100 -0.001 0.000 0.889 1276 P CB 1.460 33.156 31.700 -0.007 0.000 1.190 1277 V N 0.881 120.787 119.914 -0.015 0.000 2.380 1277 V HA 0.426 4.545 4.120 -0.001 0.000 0.268 1277 V C 0.890 176.977 176.094 -0.012 0.000 1.008 1277 V CA -0.271 62.014 62.300 -0.024 0.000 0.823 1277 V CB 0.870 32.688 31.823 -0.009 0.000 1.053 1277 V HN 0.861 nan 8.190 nan 0.000 0.446 1278 G N 2.322 111.110 108.800 -0.021 0.000 3.702 1278 G HA2 0.552 4.511 3.960 -0.001 0.000 0.288 1278 G HA3 0.552 4.511 3.960 -0.001 0.000 0.288 1278 G C 0.860 175.772 174.900 0.019 0.000 1.193 1278 G CA 0.771 45.868 45.100 -0.006 0.000 0.952 1278 G HN 1.164 nan 8.290 nan 0.000 0.544 1279 A N -0.550 122.287 122.820 0.029 0.000 5.481 1279 A HA -0.356 3.964 4.320 -0.001 0.000 0.318 1279 A C 2.234 179.870 177.584 0.086 0.000 1.837 1279 A CA 1.419 53.500 52.037 0.073 0.000 0.717 1279 A CB -1.638 17.465 19.000 0.173 0.000 1.349 1279 A HN 0.874 nan 8.150 nan 0.000 0.388 1280 C N -0.558 118.855 119.300 0.189 0.000 2.403 1280 C HA 0.163 4.622 4.460 -0.001 0.000 0.277 1280 C C 2.802 177.851 174.990 0.099 0.000 1.248 1280 C CA 1.765 60.921 59.018 0.229 0.000 1.762 1280 C CB -1.778 26.210 27.740 0.413 0.000 2.014 1280 C HN 1.551 nan 8.230 nan 0.000 0.486 1281 A N -0.378 122.446 122.820 0.006 0.000 2.462 1281 A HA 0.192 4.511 4.320 -0.001 0.000 0.261 1281 A C 1.720 179.261 177.584 -0.071 0.000 1.323 1281 A CA 0.564 52.545 52.037 -0.092 0.000 0.913 1281 A CB -0.539 18.355 19.000 -0.177 0.000 1.028 1281 A HN 0.509 nan 8.150 nan 0.000 0.511 1282 T N 0.685 115.210 114.554 -0.049 0.000 2.607 1282 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 1282 T C 2.345 177.006 174.700 -0.065 0.000 1.049 1282 T CA 2.031 64.093 62.100 -0.063 0.000 1.162 1282 T CB -0.358 68.454 68.868 -0.095 0.000 0.863 1282 T HN 0.688 nan 8.240 nan 0.000 0.424 1283 A N 0.702 123.480 122.820 -0.069 0.000 1.958 1283 A HA -0.136 4.184 4.320 -0.001 0.000 0.221 1283 A C 2.580 180.146 177.584 -0.031 0.000 1.178 1283 A CA 1.889 53.897 52.037 -0.047 0.000 0.642 1283 A CB -1.091 17.878 19.000 -0.051 0.000 0.816 1283 A HN 0.393 nan 8.150 nan 0.000 0.453 1284 V N -0.239 119.645 119.914 -0.051 0.000 2.283 1284 V HA -0.243 3.876 4.120 -0.001 0.000 0.243 1284 V C 2.500 178.562 176.094 -0.053 0.000 1.039 1284 V CA 2.114 64.380 62.300 -0.057 0.000 1.016 1284 V CB -0.774 30.991 31.823 -0.098 0.000 0.650 1284 V HN 0.829 nan 8.190 nan 0.000 0.449 1285 E N 0.240 120.405 120.200 -0.058 0.000 2.147 1285 E HA -0.319 4.031 4.350 -0.001 0.000 0.199 1285 E C 2.316 178.909 176.600 -0.012 0.000 1.005 1285 E CA 1.811 58.188 56.400 -0.039 0.000 0.810 1285 E CB -0.255 29.422 29.700 -0.039 0.000 0.736 1285 E HN 0.530 nan 8.360 nan 0.000 0.460 1286 S N -0.275 115.419 115.700 -0.010 0.000 2.368 1286 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 1286 S C 1.962 176.582 174.600 0.033 0.000 1.030 1286 S CA 1.075 59.283 58.200 0.013 0.000 0.999 1286 S CB -0.330 62.878 63.200 0.012 0.000 0.844 1286 S HN 0.399 nan 8.310 nan 0.000 0.459 1287 L N 2.287 123.523 121.223 0.023 0.000 2.046 1287 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 1287 L C 2.200 179.107 176.870 0.061 0.000 1.077 1287 L CA 2.515 57.376 54.840 0.035 0.000 0.747 1287 L CB -0.930 41.129 42.059 0.001 0.000 0.896 1287 L HN 0.396 nan 8.230 nan 0.000 0.432 1288 D N -0.682 119.736 120.400 0.029 0.000 2.095 1288 D HA -0.197 4.443 4.640 -0.001 0.000 0.192 1288 D C 2.108 178.491 176.300 0.138 0.000 0.990 1288 D CA 2.276 56.319 54.000 0.071 0.000 0.836 1288 D CB -0.226 40.584 40.800 0.018 0.000 0.979 1288 D HN 0.208 nan 8.370 nan 0.000 0.447 1289 V N 1.201 121.162 119.914 0.078 0.000 2.250 1289 V HA -0.292 3.828 4.120 -0.001 0.000 0.253 1289 V C 2.693 178.832 176.094 0.075 0.000 1.065 1289 V CA 2.445 64.784 62.300 0.065 0.000 1.039 1289 V CB -1.279 30.569 31.823 0.041 0.000 0.647 1289 V HN 0.450 nan 8.190 nan 0.000 0.446 1290 G N -1.866 106.984 108.800 0.084 0.000 2.446 1290 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.217 1290 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.217 1290 G C 1.463 176.424 174.900 0.103 0.000 1.168 1290 G CA 1.253 46.401 45.100 0.080 0.000 0.771 1290 G HN 0.575 nan 8.290 nan 0.000 0.551 1291 Y N 2.088 122.395 120.300 0.011 0.000 2.014 1291 Y HA -0.255 4.294 4.550 -0.001 0.000 0.272 1291 Y C 2.539 178.445 175.900 0.009 0.000 1.164 1291 Y CA 2.442 60.551 58.100 0.014 0.000 1.114 1291 Y CB -0.470 37.999 38.460 0.016 0.000 0.961 1291 Y HN 0.222 nan 8.280 nan 0.000 0.489 1292 D N -0.689 119.711 120.400 0.000 0.000 2.104 1292 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 1292 D C 2.211 178.440 176.300 -0.119 0.000 0.994 1292 D CA 2.247 56.176 54.000 -0.119 0.000 0.830 1292 D CB -0.772 40.040 40.800 0.020 0.000 0.959 1292 D HN 0.425 nan 8.370 nan 0.000 0.452 1293 T N 0.825 115.351 114.554 -0.047 0.000 2.737 1293 T HA -0.115 4.235 4.350 -0.001 0.000 0.269 1293 T C 2.133 176.796 174.700 -0.061 0.000 1.040 1293 T CA 0.611 62.687 62.100 -0.039 0.000 1.142 1293 T CB -0.176 68.687 68.868 -0.008 0.000 0.861 1293 T HN 0.184 nan 8.240 nan 0.000 0.456 1294 I N 0.473 120.996 120.570 -0.079 0.000 2.353 1294 I HA -0.013 4.156 4.170 -0.001 0.000 0.248 1294 I C 1.872 177.916 176.117 -0.121 0.000 1.119 1294 I CA 0.976 62.229 61.300 -0.079 0.000 1.417 1294 I CB -0.170 37.797 38.000 -0.055 0.000 1.078 1294 I HN 0.239 nan 8.210 nan 0.000 0.421 1295 M N 0.311 119.783 119.600 -0.214 0.000 2.654 1295 M HA -0.010 4.469 4.480 -0.001 0.000 0.217 1295 M C 0.557 176.763 176.300 -0.157 0.000 1.183 1295 M CA 0.814 55.978 55.300 -0.227 0.000 0.991 1295 M CB -0.013 32.352 32.600 -0.392 0.000 1.749 1295 M HN 0.286 nan 8.290 nan 0.000 0.475 1296 Q N -0.677 119.056 119.800 -0.112 0.000 2.057 1296 Q HA 0.204 4.543 4.340 -0.001 0.000 0.216 1296 Q C 0.961 176.926 176.000 -0.059 0.000 0.788 1296 Q CA 0.228 55.981 55.803 -0.084 0.000 1.053 1296 Q CB 1.496 30.190 28.738 -0.074 0.000 1.210 1296 Q HN 0.706 nan 8.270 nan 0.000 0.455 1297 G N 1.785 110.552 108.800 -0.054 0.000 2.189 1297 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.267 1297 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.267 1297 G C 1.125 176.013 174.900 -0.020 0.000 0.975 1297 G CA 0.782 45.862 45.100 -0.033 0.000 0.644 1297 G HN 0.196 nan 8.290 nan 0.000 0.537 1298 K N -0.003 120.382 120.400 -0.025 0.000 2.148 1298 K HA 0.368 4.688 4.320 -0.001 0.000 0.204 1298 K C 1.215 177.812 176.600 -0.005 0.000 1.050 1298 K CA 1.542 57.821 56.287 -0.014 0.000 0.942 1298 K CB -0.025 32.464 32.500 -0.018 0.000 0.724 1298 K HN 1.359 nan 8.250 nan 0.000 0.446 1299 A N -0.065 122.750 122.820 -0.009 0.000 2.601 1299 A HA 0.537 4.857 4.320 -0.001 0.000 0.291 1299 A C 0.008 177.588 177.584 -0.007 0.000 1.075 1299 A CA -0.713 51.322 52.037 -0.004 0.000 0.671 1299 A CB 1.007 19.998 19.000 -0.014 0.000 1.277 1299 A HN 0.018 nan 8.150 nan 0.000 0.417 1300 R N -0.390 120.109 120.500 -0.002 0.000 2.140 1300 R HA 0.317 4.657 4.340 -0.001 0.000 0.200 1300 R C 0.548 176.840 176.300 -0.014 0.000 1.069 1300 R CA 0.714 56.817 56.100 0.006 0.000 1.088 1300 R CB 0.232 30.555 30.300 0.039 0.000 1.012 1300 R HN 0.480 nan 8.270 nan 0.000 0.500 1301 V N 0.184 120.054 119.914 -0.073 0.000 2.997 1301 V HA 0.440 4.560 4.120 -0.001 0.000 0.311 1301 V C -0.891 175.112 176.094 -0.152 0.000 1.066 1301 V CA -0.351 61.858 62.300 -0.152 0.000 1.039 1301 V CB 1.802 33.358 31.823 -0.444 0.000 1.081 1301 V HN 0.448 nan 8.190 nan 0.000 0.467 1302 C N 5.731 124.958 119.300 -0.123 0.000 3.198 1302 C HA 0.345 4.805 4.460 -0.001 0.000 0.438 1302 C C -1.128 173.856 174.990 -0.011 0.000 0.952 1302 C CA -1.058 57.923 59.018 -0.060 0.000 1.216 1302 C CB -0.216 27.515 27.740 -0.015 0.000 1.594 1302 C HN 0.934 nan 8.230 nan 0.000 0.598 1303 L N 5.521 126.748 121.223 0.007 0.000 2.349 1303 L HA 0.732 5.071 4.340 -0.001 0.000 0.275 1303 L C -0.024 176.890 176.870 0.073 0.000 1.115 1303 L CA -0.152 54.721 54.840 0.055 0.000 0.820 1303 L CB 1.394 43.500 42.059 0.078 0.000 1.135 1303 L HN 0.506 nan 8.230 nan 0.000 0.445 1304 V N 1.949 121.913 119.914 0.084 0.000 2.925 1304 V HA 0.954 5.073 4.120 -0.001 0.000 0.311 1304 V C 0.157 176.310 176.094 0.098 0.000 1.104 1304 V CA -0.169 62.182 62.300 0.085 0.000 0.954 1304 V CB 1.992 33.858 31.823 0.072 0.000 1.022 1304 V HN 1.001 nan 8.190 nan 0.000 0.427 1305 G N 2.121 110.979 108.800 0.096 0.000 2.323 1305 G HA2 0.617 4.576 3.960 -0.001 0.000 0.291 1305 G HA3 0.617 4.576 3.960 -0.001 0.000 0.291 1305 G C -0.698 174.247 174.900 0.075 0.000 1.278 1305 G CA 0.163 45.325 45.100 0.103 0.000 0.860 1305 G HN 1.246 nan 8.290 nan 0.000 0.504 1306 G N -1.411 107.431 108.800 0.070 0.000 2.672 1306 G HA2 1.015 4.974 3.960 -0.001 0.000 0.292 1306 G HA3 1.015 4.974 3.960 -0.001 0.000 0.292 1306 G C -1.174 173.775 174.900 0.083 0.000 1.375 1306 G CA -0.190 44.889 45.100 -0.035 0.000 0.890 1306 G HN 1.752 nan 8.290 nan 0.000 0.476 1307 F N -1.154 118.816 119.950 0.034 0.000 2.678 1307 F HA 0.835 5.361 4.527 -0.001 0.000 0.308 1307 F C -1.803 174.034 175.800 0.061 0.000 1.118 1307 F CA -1.138 56.898 58.000 0.059 0.000 0.959 1307 F CB 2.407 41.485 39.000 0.131 0.000 1.305 1307 F HN 0.471 nan 8.300 nan 0.000 0.443 1308 D N 0.757 121.364 120.400 0.345 0.000 2.706 1308 D HA 0.272 4.911 4.640 -0.001 0.000 0.227 1308 D C -2.012 174.468 176.300 0.301 0.000 1.233 1308 D CA -0.199 53.967 54.000 0.277 0.000 0.768 1308 D CB 2.603 43.465 40.800 0.104 0.000 1.490 1308 D HN 0.696 nan 8.370 nan 0.000 0.458 1309 D N -0.047 120.538 120.400 0.309 0.000 2.440 1309 D HA 0.499 5.139 4.640 -0.001 0.000 0.258 1309 D C -1.058 175.457 176.300 0.359 0.000 1.092 1309 D CA -0.420 53.795 54.000 0.358 0.000 1.016 1309 D CB 0.949 41.951 40.800 0.336 0.000 1.141 1309 D HN 0.155 nan 8.370 nan 0.000 0.552 1310 F N 1.228 121.348 119.950 0.283 0.000 2.436 1310 F HA 0.438 4.964 4.527 -0.001 0.000 0.340 1310 F C -0.486 175.430 175.800 0.193 0.000 1.113 1310 F CA -0.173 57.965 58.000 0.231 0.000 1.022 1310 F CB 0.846 39.999 39.000 0.255 0.000 1.128 1310 F HN 0.141 nan 8.300 nan 0.000 0.466 1311 Q N 4.108 123.450 119.800 -0.763 0.000 2.462 1311 Q HA 0.107 4.446 4.340 -0.001 0.000 0.285 1311 Q C 0.453 175.891 176.000 -0.935 0.000 1.035 1311 Q CA -0.681 54.722 55.803 -0.667 0.000 0.799 1311 Q CB 2.405 30.986 28.738 -0.262 0.000 1.452 1311 Q HN 0.894 nan 8.270 nan 0.000 0.404 1312 E N 1.193 120.858 120.200 -0.891 0.000 2.070 1312 E HA -0.256 4.093 4.350 -0.001 0.000 0.197 1312 E C 0.861 177.140 176.600 -0.535 0.000 1.004 1312 E CA 1.974 57.739 56.400 -1.060 0.000 0.805 1312 E CB 0.356 29.512 29.700 -0.906 0.000 0.744 1312 E HN 0.525 nan 8.360 nan 0.000 0.451 1313 E N -0.236 119.733 120.200 -0.385 0.000 2.152 1313 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 1313 E C 2.091 178.566 176.600 -0.208 0.000 0.983 1313 E CA 0.946 57.188 56.400 -0.263 0.000 0.818 1313 E CB -0.367 29.194 29.700 -0.232 0.000 0.758 1313 E HN 0.416 nan 8.360 nan 0.000 0.467 1314 G N 1.647 110.298 108.800 -0.248 0.000 2.454 1314 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.214 1314 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.214 1314 G C 1.712 176.593 174.900 -0.032 0.000 1.217 1314 G CA 1.088 46.077 45.100 -0.185 0.000 0.799 1314 G HN 0.371 nan 8.290 nan 0.000 0.538 1315 S N -0.576 115.100 115.700 -0.040 0.000 2.380 1315 S HA -0.249 4.221 4.470 -0.001 0.000 0.229 1315 S C 2.116 176.934 174.600 0.364 0.000 1.043 1315 S CA 1.912 60.257 58.200 0.242 0.000 1.038 1315 S CB -0.506 62.811 63.200 0.194 0.000 0.872 1315 S HN 0.479 nan 8.310 nan 0.000 0.456 1316 Y N 1.252 121.609 120.300 0.094 0.000 2.293 1316 Y HA -0.028 4.522 4.550 -0.001 0.000 0.291 1316 Y C 2.362 178.275 175.900 0.023 0.000 1.137 1316 Y CA 1.926 60.024 58.100 -0.003 0.000 1.202 1316 Y CB -0.147 38.097 38.460 -0.360 0.000 0.990 1316 Y HN 0.292 nan 8.280 nan 0.000 0.537 1317 E N -0.276 119.980 120.200 0.092 0.000 2.086 1317 E HA -0.100 4.250 4.350 -0.001 0.000 0.190 1317 E C 1.838 178.392 176.600 -0.077 0.000 0.975 1317 E CA 1.263 57.639 56.400 -0.041 0.000 0.813 1317 E CB -0.627 28.952 29.700 -0.201 0.000 0.768 1317 E HN 0.513 nan 8.360 nan 0.000 0.457 1318 F N 0.531 120.492 119.950 0.017 0.000 2.126 1318 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 1318 F C 2.274 178.066 175.800 -0.013 0.000 1.096 1318 F CA 1.020 59.028 58.000 0.013 0.000 1.255 1318 F CB -0.365 38.640 39.000 0.008 0.000 0.997 1318 F HN 0.110 nan 8.300 nan 0.000 0.479 1319 A N 0.124 123.051 122.820 0.178 0.000 1.978 1319 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 1319 A C 1.755 179.350 177.584 0.018 0.000 1.170 1319 A CA 2.125 54.202 52.037 0.067 0.000 0.636 1319 A CB -0.891 18.186 19.000 0.128 0.000 0.810 1319 A HN 0.435 nan 8.150 nan 0.000 0.448 1320 N N -0.768 117.929 118.700 -0.005 0.000 2.459 1320 N HA 0.023 4.763 4.740 -0.001 0.000 0.181 1320 N C 1.585 177.116 175.510 0.034 0.000 1.046 1320 N CA 1.237 54.281 53.050 -0.011 0.000 0.904 1320 N CB -0.170 38.305 38.487 -0.019 0.000 0.964 1320 N HN 0.545 nan 8.380 nan 0.000 0.444 1321 M N -2.113 117.533 119.600 0.077 0.000 2.486 1321 M HA 0.243 4.722 4.480 -0.001 0.000 0.264 1321 M C 0.995 177.362 176.300 0.112 0.000 1.125 1321 M CA 0.732 56.105 55.300 0.121 0.000 1.144 1321 M CB 0.460 33.188 32.600 0.213 0.000 1.353 1321 M HN 0.205 nan 8.290 nan 0.000 0.466 1322 G N 0.171 109.023 108.800 0.087 0.000 2.148 1322 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.203 1322 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.203 1322 G C 0.785 175.703 174.900 0.031 0.000 0.993 1322 G CA 0.304 45.428 45.100 0.040 0.000 0.661 1322 G HN 0.481 nan 8.290 nan 0.000 0.518 1323 A N 0.163 123.027 122.820 0.074 0.000 1.832 1323 A HA 0.383 4.702 4.320 -0.001 0.000 0.214 1323 A C 1.962 179.236 177.584 -0.517 0.000 1.204 1323 A CA 2.349 54.393 52.037 0.012 0.000 0.606 1323 A CB -1.089 18.115 19.000 0.341 0.000 0.849 1323 A HN 1.547 nan 8.150 nan 0.000 0.445 1324 T N 0.275 114.427 114.554 -0.670 0.000 2.724 1324 T HA 0.373 4.723 4.350 -0.001 0.000 0.324 1324 T C 0.369 174.841 174.700 -0.380 0.000 1.071 1324 T CA 0.123 61.776 62.100 -0.745 0.000 1.061 1324 T CB 0.392 68.999 68.868 -0.435 0.000 0.990 1324 T HN 0.744 nan 8.240 nan 0.000 0.543 1325 S N 0.623 116.145 115.700 -0.296 0.000 2.451 1325 S HA 0.313 4.783 4.470 -0.001 0.000 0.301 1325 S C -0.192 174.311 174.600 -0.162 0.000 1.116 1325 S CA -1.097 56.995 58.200 -0.180 0.000 1.093 1325 S CB 0.798 63.920 63.200 -0.131 0.000 1.017 1325 S HN 0.676 nan 8.310 nan 0.000 0.482 1326 N N 2.389 121.007 118.700 -0.137 0.000 2.406 1326 N HA 0.190 4.930 4.740 -0.001 0.000 0.274 1326 N C 1.279 176.734 175.510 -0.092 0.000 1.249 1326 N CA 0.209 53.180 53.050 -0.131 0.000 0.951 1326 N CB 0.692 39.115 38.487 -0.107 0.000 1.241 1326 N HN 0.796 nan 8.380 nan 0.000 0.485 1327 A N 4.946 127.721 122.820 -0.075 0.000 1.892 1327 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 1327 A C 2.120 179.826 177.584 0.204 0.000 1.188 1327 A CA 1.575 53.637 52.037 0.041 0.000 0.631 1327 A CB -0.357 18.727 19.000 0.141 0.000 0.822 1327 A HN 0.730 nan 8.150 nan 0.000 0.447 1328 K N -0.647 119.819 120.400 0.110 0.000 2.063 1328 K HA -0.170 4.150 4.320 -0.001 0.000 0.208 1328 K C 2.082 178.720 176.600 0.063 0.000 1.048 1328 K CA 1.780 58.124 56.287 0.094 0.000 0.928 1328 K CB -0.166 32.327 32.500 -0.012 0.000 0.713 1328 K HN 0.649 nan 8.250 nan 0.000 0.442 1329 E N 0.101 120.300 120.200 -0.002 0.000 2.106 1329 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 1329 E C 1.832 178.406 176.600 -0.042 0.000 0.984 1329 E CA 0.926 57.307 56.400 -0.032 0.000 0.806 1329 E CB 0.147 29.815 29.700 -0.054 0.000 0.750 1329 E HN 0.322 nan 8.360 nan 0.000 0.458 1330 E N -0.258 119.907 120.200 -0.058 0.000 2.158 1330 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 1330 E C 1.625 178.134 176.600 -0.152 0.000 0.982 1330 E CA 0.306 56.630 56.400 -0.126 0.000 0.823 1330 E CB 0.013 29.601 29.700 -0.185 0.000 0.766 1330 E HN 0.230 nan 8.360 nan 0.000 0.468 1331 F N 0.708 120.607 119.950 -0.085 0.000 2.333 1331 F HA -0.110 4.417 4.527 -0.001 0.000 0.300 1331 F C 2.136 177.869 175.800 -0.111 0.000 1.083 1331 F CA 0.814 58.762 58.000 -0.087 0.000 1.395 1331 F CB 0.150 39.099 39.000 -0.084 0.000 1.056 1331 F HN 0.005 nan 8.300 nan 0.000 0.529 1332 A N -0.532 122.313 122.820 0.042 0.000 2.275 1332 A HA 0.106 4.425 4.320 -0.001 0.000 0.212 1332 A C 1.830 179.340 177.584 -0.124 0.000 1.201 1332 A CA 0.070 52.076 52.037 -0.052 0.000 0.843 1332 A CB -0.271 18.695 19.000 -0.057 0.000 0.873 1332 A HN 0.263 nan 8.150 nan 0.000 0.492 1333 R N -1.297 119.129 120.500 -0.122 0.000 2.397 1333 R HA 0.246 4.586 4.340 -0.001 0.000 0.241 1333 R C 1.160 177.352 176.300 -0.179 0.000 0.914 1333 R CA 0.544 56.550 56.100 -0.156 0.000 1.071 1333 R CB 0.351 30.581 30.300 -0.116 0.000 1.116 1333 R HN 0.586 nan 8.270 nan 0.000 0.524 1334 G N 1.734 110.430 108.800 -0.172 0.000 2.176 1334 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.253 1334 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.253 1334 G C 0.124 175.007 174.900 -0.028 0.000 0.979 1334 G CA -0.293 44.709 45.100 -0.163 0.000 0.641 1334 G HN 0.096 nan 8.290 nan 0.000 0.530 1335 R N 1.338 121.781 120.500 -0.094 0.000 2.590 1335 R HA 0.356 4.695 4.340 -0.001 0.000 0.274 1335 R C 0.600 176.753 176.300 -0.246 0.000 1.061 1335 R CA 0.210 56.228 56.100 -0.136 0.000 1.081 1335 R CB 0.328 30.512 30.300 -0.193 0.000 0.984 1335 R HN 0.634 nan 8.270 nan 0.000 0.448 1336 E N 3.313 123.419 120.200 -0.157 0.000 2.250 1336 E HA 0.301 4.651 4.350 -0.001 0.000 0.269 1336 E C -2.228 174.247 176.600 -0.208 0.000 1.018 1336 E CA -2.038 54.272 56.400 -0.150 0.000 0.873 1336 E CB 0.818 30.508 29.700 -0.015 0.000 1.134 1336 E HN 0.211 nan 8.360 nan 0.000 0.403 1337 P HA -0.051 nan 4.420 nan 0.000 0.262 1337 P C 0.579 177.855 177.300 -0.039 0.000 1.182 1337 P CA 1.012 64.044 63.100 -0.113 0.000 0.761 1337 P CB 0.339 32.049 31.700 0.017 0.000 0.795 1338 G N 2.742 111.526 108.800 -0.027 0.000 2.205 1338 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.261 1338 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.261 1338 G C 0.380 175.328 174.900 0.081 0.000 0.980 1338 G CA 0.057 45.186 45.100 0.048 0.000 0.632 1338 G HN 0.570 nan 8.290 nan 0.000 0.533 1339 E N -0.230 119.985 120.200 0.025 0.000 2.989 1339 E HA 0.467 4.817 4.350 -0.001 0.000 0.207 1339 E C 1.594 178.181 176.600 -0.022 0.000 0.989 1339 E CA -0.230 56.188 56.400 0.029 0.000 1.186 1339 E CB 0.162 29.877 29.700 0.025 0.000 1.141 1339 E HN 0.581 nan 8.360 nan 0.000 0.454 1340 M N -0.772 118.807 119.600 -0.035 0.000 2.313 1340 M HA 0.222 4.701 4.480 -0.001 0.000 0.273 1340 M C 0.715 177.002 176.300 -0.022 0.000 1.049 1340 M CA 0.085 55.342 55.300 -0.071 0.000 1.004 1340 M CB 0.973 33.493 32.600 -0.133 0.000 1.461 1340 M HN -0.113 nan 8.290 nan 0.000 0.514 1341 S N 2.197 117.915 115.700 0.030 0.000 2.516 1341 S HA 0.470 4.939 4.470 -0.001 0.000 0.268 1341 S C -0.549 174.095 174.600 0.073 0.000 1.251 1341 S CA -0.677 57.565 58.200 0.070 0.000 1.153 1341 S CB 0.141 63.415 63.200 0.124 0.000 1.009 1341 S HN 0.374 nan 8.310 nan 0.000 0.479 1342 R N 4.083 124.590 120.500 0.011 0.000 2.312 1342 R HA 0.342 4.682 4.340 -0.001 0.000 0.310 1342 R C -2.391 173.847 176.300 -0.103 0.000 1.064 1342 R CA -1.893 54.181 56.100 -0.043 0.000 0.983 1342 R CB 0.930 31.189 30.300 -0.068 0.000 1.139 1342 R HN 0.253 nan 8.270 nan 0.000 0.536 1343 P HA -0.118 nan 4.420 nan 0.000 0.222 1343 P C 0.532 177.556 177.300 -0.460 0.000 1.147 1343 P CA 1.138 64.091 63.100 -0.245 0.000 0.790 1343 P CB 0.462 32.022 31.700 -0.234 0.000 0.780 1344 T N -7.039 107.202 114.554 -0.521 0.000 3.041 1344 T HA 0.169 4.518 4.350 -0.001 0.000 0.276 1344 T C 0.755 175.225 174.700 -0.384 0.000 0.948 1344 T CA -0.252 61.501 62.100 -0.578 0.000 0.885 1344 T CB -0.584 67.740 68.868 -0.907 0.000 1.175 1344 T HN -0.098 nan 8.240 nan 0.000 0.529 1345 S N 1.743 117.283 115.700 -0.267 0.000 2.549 1345 S HA 0.056 4.526 4.470 -0.001 0.000 0.278 1345 S C 1.595 176.113 174.600 -0.137 0.000 1.344 1345 S CA 0.352 58.451 58.200 -0.168 0.000 1.025 1345 S CB 0.305 63.442 63.200 -0.106 0.000 0.851 1345 S HN 0.438 nan 8.310 nan 0.000 0.530 1346 T N 2.577 117.080 114.554 -0.085 0.000 2.915 1346 T HA -0.064 4.285 4.350 -0.001 0.000 0.269 1346 T C 1.650 176.320 174.700 -0.050 0.000 1.071 1346 T CA 1.747 63.812 62.100 -0.058 0.000 1.132 1346 T CB -0.441 68.415 68.868 -0.019 0.000 0.878 1346 T HN 0.802 nan 8.240 nan 0.000 0.479 1347 T N 1.878 116.405 114.554 -0.045 0.000 3.129 1347 T HA 0.077 4.426 4.350 -0.001 0.000 0.251 1347 T C 0.809 175.479 174.700 -0.050 0.000 1.117 1347 T CA -0.357 61.720 62.100 -0.040 0.000 1.034 1347 T CB -0.272 68.580 68.868 -0.027 0.000 0.968 1347 T HN 0.566 nan 8.240 nan 0.000 0.526 1348 R N 3.104 123.566 120.500 -0.063 0.000 2.504 1348 R HA 0.070 4.409 4.340 -0.001 0.000 0.291 1348 R C 0.402 176.675 176.300 -0.046 0.000 0.974 1348 R CA 0.485 56.549 56.100 -0.060 0.000 1.077 1348 R CB -0.030 30.221 30.300 -0.082 0.000 0.926 1348 R HN 0.252 nan 8.270 nan 0.000 0.407 1349 N N 1.363 120.039 118.700 -0.039 0.000 2.129 1349 N HA 0.161 4.901 4.740 -0.001 0.000 0.222 1349 N C -0.132 175.357 175.510 -0.035 0.000 1.303 1349 N CA 0.264 53.291 53.050 -0.038 0.000 0.897 1349 N CB 1.407 39.864 38.487 -0.050 0.000 1.093 1349 N HN 0.772 nan 8.380 nan 0.000 0.501 1350 G N 0.018 108.802 108.800 -0.026 0.000 2.377 1350 G HA2 0.379 4.339 3.960 -0.001 0.000 0.297 1350 G HA3 0.379 4.339 3.960 -0.001 0.000 0.297 1350 G C -1.329 173.568 174.900 -0.004 0.000 1.547 1350 G CA -0.828 44.248 45.100 -0.040 0.000 0.833 1350 G HN 0.229 nan 8.290 nan 0.000 0.583 1351 F N -0.092 119.848 119.950 -0.017 0.000 2.291 1351 F HA 0.931 5.458 4.527 -0.001 0.000 0.305 1351 F C 0.076 175.861 175.800 -0.026 0.000 1.171 1351 F CA -1.811 56.184 58.000 -0.008 0.000 1.090 1351 F CB 1.113 40.130 39.000 0.029 0.000 1.436 1351 F HN 0.483 nan 8.300 nan 0.000 0.509 1352 M N 2.221 122.126 119.600 0.507 0.000 2.181 1352 M HA 0.324 4.804 4.480 -0.001 0.000 0.323 1352 M C -0.758 175.762 176.300 0.366 0.000 1.004 1352 M CA -0.799 54.661 55.300 0.267 0.000 0.941 1352 M CB 0.655 33.362 32.600 0.178 0.000 1.579 1352 M HN 0.608 nan 8.290 nan 0.000 0.427 1353 E N 1.887 122.194 120.200 0.178 0.000 2.413 1353 E HA 0.294 4.643 4.350 -0.001 0.000 0.263 1353 E C -0.998 175.660 176.600 0.097 0.000 1.015 1353 E CA 0.278 56.795 56.400 0.195 0.000 0.916 1353 E CB 0.896 30.747 29.700 0.250 0.000 0.947 1353 E HN 0.700 nan 8.360 nan 0.000 0.440 1354 S N 1.036 116.820 115.700 0.140 0.000 2.565 1354 S HA 0.331 4.801 4.470 -0.001 0.000 0.269 1354 S C -1.527 173.178 174.600 0.175 0.000 1.153 1354 S CA -0.773 57.500 58.200 0.122 0.000 0.835 1354 S CB 1.175 64.490 63.200 0.192 0.000 1.122 1354 S HN 0.476 nan 8.310 nan 0.000 0.462 1355 Q N 1.259 121.169 119.800 0.184 0.000 2.445 1355 Q HA 0.901 5.240 4.340 -0.001 0.000 0.281 1355 Q C 0.106 176.179 176.000 0.122 0.000 1.101 1355 Q CA -0.720 55.194 55.803 0.185 0.000 0.833 1355 Q CB 1.703 30.594 28.738 0.255 0.000 1.416 1355 Q HN 1.293 nan 8.270 nan 0.000 0.451 1356 G N -0.684 108.135 108.800 0.031 0.000 2.343 1356 G HA2 0.200 4.160 3.960 -0.001 0.000 0.465 1356 G HA3 0.200 4.160 3.960 -0.001 0.000 0.465 1356 G C -0.719 174.292 174.900 0.185 0.000 1.282 1356 G CA -0.512 44.585 45.100 -0.004 0.000 0.996 1356 G HN 1.563 nan 8.290 nan 0.000 0.521 1357 C N -1.317 118.163 119.300 0.301 0.000 3.318 1357 C HA 1.125 5.585 4.460 -0.001 0.000 0.329 1357 C C 0.380 175.668 174.990 0.496 0.000 1.449 1357 C CA 0.245 59.462 59.018 0.332 0.000 1.397 1357 C CB 1.418 29.382 27.740 0.372 0.000 1.810 1357 C HN 2.776 nan 8.230 nan 0.000 0.449 1358 G N 0.502 109.515 108.800 0.354 0.000 2.734 1358 G HA2 0.622 4.582 3.960 -0.001 0.000 0.293 1358 G HA3 0.622 4.582 3.960 -0.001 0.000 0.293 1358 G C -1.767 173.273 174.900 0.234 0.000 1.422 1358 G CA -0.229 45.094 45.100 0.371 0.000 1.177 1358 G HN 1.190 nan 8.290 nan 0.000 0.565 1359 V N 2.085 122.115 119.914 0.194 0.000 3.001 1359 V HA 0.801 4.921 4.120 -0.001 0.000 0.314 1359 V C -0.754 175.401 176.094 0.101 0.000 1.099 1359 V CA -0.832 61.558 62.300 0.150 0.000 0.989 1359 V CB 2.120 34.040 31.823 0.161 0.000 1.040 1359 V HN 0.921 nan 8.190 nan 0.000 0.434 1360 Q N 1.857 121.708 119.800 0.084 0.000 2.281 1360 Q HA 0.577 4.916 4.340 -0.001 0.000 0.263 1360 Q C -1.330 174.710 176.000 0.066 0.000 0.989 1360 Q CA -0.594 55.238 55.803 0.048 0.000 0.852 1360 Q CB 2.139 30.895 28.738 0.029 0.000 1.337 1360 Q HN 0.611 nan 8.270 nan 0.000 0.418 1361 V N 4.422 124.380 119.914 0.072 0.000 2.498 1361 V HA 0.651 4.770 4.120 -0.001 0.000 0.279 1361 V C -0.197 175.948 176.094 0.086 0.000 1.048 1361 V CA -0.371 61.982 62.300 0.089 0.000 0.967 1361 V CB 0.558 32.460 31.823 0.132 0.000 0.988 1361 V HN 0.781 nan 8.190 nan 0.000 0.473 1362 I N 4.424 125.037 120.570 0.072 0.000 2.646 1362 I HA 0.743 4.912 4.170 -0.001 0.000 0.299 1362 I C -0.572 175.583 176.117 0.064 0.000 1.036 1362 I CA -0.942 60.404 61.300 0.078 0.000 1.074 1362 I CB 2.263 40.315 38.000 0.086 0.000 1.258 1362 I HN 0.648 nan 8.210 nan 0.000 0.430 1363 M N 2.311 121.956 119.600 0.075 0.000 2.664 1363 M HA 0.388 4.867 4.480 -0.001 0.000 0.279 1363 M C -0.550 175.787 176.300 0.062 0.000 1.275 1363 M CA -0.651 54.689 55.300 0.066 0.000 0.829 1363 M CB 2.950 35.604 32.600 0.091 0.000 1.727 1363 M HN 0.625 nan 8.290 nan 0.000 0.459 1364 T N 1.239 115.823 114.554 0.051 0.000 2.901 1364 T HA 0.184 4.534 4.350 -0.001 0.000 0.301 1364 T C 1.144 175.875 174.700 0.053 0.000 1.012 1364 T CA 0.273 62.402 62.100 0.048 0.000 1.135 1364 T CB 1.215 70.106 68.868 0.038 0.000 0.936 1364 T HN 0.736 nan 8.240 nan 0.000 0.539 1365 A N 3.219 126.076 122.820 0.061 0.000 1.927 1365 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 1365 A C 2.244 179.847 177.584 0.031 0.000 1.185 1365 A CA 1.749 53.814 52.037 0.047 0.000 0.639 1365 A CB -0.655 18.394 19.000 0.081 0.000 0.820 1365 A HN 0.920 nan 8.150 nan 0.000 0.451 1366 Q N -0.981 118.843 119.800 0.040 0.000 1.927 1366 Q HA -0.188 4.151 4.340 -0.001 0.000 0.210 1366 Q C 2.171 178.188 176.000 0.028 0.000 1.001 1366 Q CA 1.547 57.371 55.803 0.036 0.000 0.862 1366 Q CB -0.466 28.296 28.738 0.040 0.000 0.934 1366 Q HN 0.636 nan 8.270 nan 0.000 0.420 1367 L N 0.503 121.746 121.223 0.034 0.000 2.089 1367 L HA -0.279 4.061 4.340 -0.001 0.000 0.213 1367 L C 2.201 179.063 176.870 -0.013 0.000 1.079 1367 L CA 1.958 56.810 54.840 0.021 0.000 0.758 1367 L CB -0.920 41.175 42.059 0.059 0.000 0.891 1367 L HN 0.306 nan 8.230 nan 0.000 0.433 1368 A N 0.155 122.988 122.820 0.022 0.000 1.841 1368 A HA -0.237 4.082 4.320 -0.001 0.000 0.216 1368 A C 2.179 179.800 177.584 0.062 0.000 1.199 1368 A CA 1.934 53.995 52.037 0.041 0.000 0.621 1368 A CB -0.841 18.186 19.000 0.045 0.000 0.835 1368 A HN 0.497 nan 8.150 nan 0.000 0.445 1369 L N -0.808 120.426 121.223 0.018 0.000 2.093 1369 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 1369 L C 2.635 179.573 176.870 0.114 0.000 1.085 1369 L CA 1.657 56.515 54.840 0.031 0.000 0.755 1369 L CB -0.521 41.480 42.059 -0.097 0.000 0.904 1369 L HN 0.650 nan 8.230 nan 0.000 0.435 1370 E N 0.564 120.778 120.200 0.024 0.000 2.077 1370 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 1370 E C 2.310 178.825 176.600 -0.142 0.000 0.989 1370 E CA 1.348 57.743 56.400 -0.007 0.000 0.800 1370 E CB -0.024 29.677 29.700 0.001 0.000 0.746 1370 E HN 0.442 nan 8.360 nan 0.000 0.452 1371 M N -0.609 118.793 119.600 -0.329 0.000 2.200 1371 M HA 0.043 4.523 4.480 -0.001 0.000 0.265 1371 M C 1.067 177.260 176.300 -0.177 0.000 1.066 1371 M CA 1.122 56.070 55.300 -0.586 0.000 1.127 1371 M CB 0.197 32.443 32.600 -0.590 0.000 1.379 1371 M HN 0.322 nan 8.290 nan 0.000 0.420 1372 G N 1.911 110.719 108.800 0.013 0.000 2.643 1372 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.280 1372 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.280 1372 G C -0.419 174.478 174.900 -0.005 0.000 1.120 1372 G CA -0.038 45.103 45.100 0.069 0.000 1.165 1372 G HN 0.466 nan 8.290 nan 0.000 0.540 1373 V N -1.786 118.186 119.914 0.097 0.000 2.864 1373 V HA 0.937 5.056 4.120 -0.001 0.000 0.314 1373 V C -1.838 174.264 176.094 0.014 0.000 1.073 1373 V CA -3.018 59.274 62.300 -0.013 0.000 0.956 1373 V CB 2.004 33.821 31.823 -0.010 0.000 1.023 1373 V HN 0.188 nan 8.190 nan 0.000 0.435 1374 P HA 0.348 nan 4.420 nan 0.000 0.269 1374 P C -0.743 176.537 177.300 -0.032 0.000 1.217 1374 P CA 0.223 63.150 63.100 -0.288 0.000 0.783 1374 P CB 0.312 31.531 31.700 -0.802 0.000 0.898 1375 I N 1.573 122.151 120.570 0.013 0.000 2.468 1375 I HA 0.199 4.369 4.170 -0.001 0.000 0.284 1375 I C 0.223 176.321 176.117 -0.031 0.000 1.038 1375 I CA -0.386 60.952 61.300 0.063 0.000 1.083 1375 I CB 1.498 39.561 38.000 0.106 0.000 1.223 1375 I HN 0.377 nan 8.210 nan 0.000 0.443 1376 Y N 4.418 124.716 120.300 -0.004 0.000 2.475 1376 Y HA 0.294 4.843 4.550 -0.001 0.000 0.289 1376 Y C 1.509 177.372 175.900 -0.061 0.000 1.121 1376 Y CA 0.612 58.691 58.100 -0.036 0.000 1.257 1376 Y CB 0.592 39.029 38.460 -0.040 0.000 1.026 1376 Y HN 0.638 nan 8.280 nan 0.000 0.555 1377 G N -0.763 108.088 108.800 0.084 0.000 2.356 1377 G HA2 0.390 4.349 3.960 -0.001 0.000 0.294 1377 G HA3 0.390 4.349 3.960 -0.001 0.000 0.294 1377 G C -1.930 172.934 174.900 -0.059 0.000 1.423 1377 G CA -0.998 44.104 45.100 0.002 0.000 0.806 1377 G HN -0.106 nan 8.290 nan 0.000 0.527 1378 I N 0.884 121.356 120.570 -0.163 0.000 2.362 1378 I HA 0.298 4.467 4.170 -0.001 0.000 0.289 1378 I C 0.227 176.243 176.117 -0.169 0.000 0.994 1378 I CA -0.991 60.183 61.300 -0.209 0.000 1.158 1378 I CB 2.008 39.718 38.000 -0.485 0.000 1.315 1378 I HN 0.160 nan 8.210 nan 0.000 0.451 1379 V N 7.121 126.998 119.914 -0.062 0.000 2.359 1379 V HA 0.003 4.122 4.120 -0.001 0.000 0.248 1379 V C 1.310 177.346 176.094 -0.098 0.000 1.091 1379 V CA 0.430 62.670 62.300 -0.099 0.000 1.103 1379 V CB 0.200 32.002 31.823 -0.034 0.000 1.176 1379 V HN 1.013 nan 8.190 nan 0.000 0.488 1380 A N 5.346 128.055 122.820 -0.185 0.000 1.855 1380 A HA 0.103 4.422 4.320 -0.001 0.000 0.215 1380 A C 0.971 178.519 177.584 -0.059 0.000 1.191 1380 A CA 1.395 53.387 52.037 -0.074 0.000 0.613 1380 A CB 0.092 18.986 19.000 -0.178 0.000 0.829 1380 A HN 0.697 nan 8.150 nan 0.000 0.442 1381 M N -0.793 118.660 119.600 -0.245 0.000 2.471 1381 M HA 0.477 4.956 4.480 -0.001 0.000 0.284 1381 M C -1.781 174.288 176.300 -0.385 0.000 1.203 1381 M CA -0.117 55.021 55.300 -0.270 0.000 0.915 1381 M CB 2.117 34.615 32.600 -0.170 0.000 1.734 1381 M HN 0.365 nan 8.290 nan 0.000 0.485 1382 T N 0.121 114.430 114.554 -0.409 0.000 2.883 1382 T HA 0.920 5.269 4.350 -0.001 0.000 0.301 1382 T C -0.983 173.634 174.700 -0.138 0.000 1.158 1382 T CA -0.290 61.638 62.100 -0.288 0.000 1.007 1382 T CB 1.786 70.454 68.868 -0.333 0.000 1.186 1382 T HN 1.104 nan 8.240 nan 0.000 0.499 1383 S N -0.002 115.632 115.700 -0.110 0.000 2.586 1383 S HA 0.703 5.172 4.470 -0.001 0.000 0.277 1383 S C -0.749 173.799 174.600 -0.087 0.000 1.131 1383 S CA -0.855 57.306 58.200 -0.064 0.000 0.848 1383 S CB 1.133 64.304 63.200 -0.047 0.000 1.091 1383 S HN 1.432 nan 8.310 nan 0.000 0.453 1384 T N -0.862 113.655 114.554 -0.062 0.000 2.912 1384 T HA 0.939 5.289 4.350 -0.001 0.000 0.288 1384 T C -0.285 174.377 174.700 -0.063 0.000 1.030 1384 T CA -0.632 61.422 62.100 -0.077 0.000 1.020 1384 T CB 1.528 70.365 68.868 -0.053 0.000 1.056 1384 T HN 1.939 nan 8.240 nan 0.000 0.480 1385 A N 1.737 124.512 122.820 -0.074 0.000 2.513 1385 A HA 0.691 5.010 4.320 -0.001 0.000 0.296 1385 A C -0.044 177.522 177.584 -0.030 0.000 1.052 1385 A CA -0.930 51.079 52.037 -0.048 0.000 0.714 1385 A CB 1.196 20.164 19.000 -0.053 0.000 1.279 1385 A HN 0.854 nan 8.150 nan 0.000 0.397 1386 T N 1.436 115.984 114.554 -0.010 0.000 2.881 1386 T HA 0.557 4.907 4.350 -0.001 0.000 0.278 1386 T C -0.222 174.487 174.700 0.015 0.000 0.982 1386 T CA -0.364 61.740 62.100 0.006 0.000 0.989 1386 T CB 0.672 69.544 68.868 0.008 0.000 1.058 1386 T HN 0.674 nan 8.240 nan 0.000 0.529 1387 D N -0.116 120.298 120.400 0.024 0.000 2.589 1387 D HA 0.330 4.970 4.640 -0.001 0.000 0.268 1387 D C 0.482 176.791 176.300 0.015 0.000 1.182 1387 D CA -0.719 53.295 54.000 0.024 0.000 1.087 1387 D CB 0.510 41.331 40.800 0.034 0.000 1.186 1387 D HN 0.549 nan 8.370 nan 0.000 0.620 1388 K N -0.134 120.273 120.400 0.012 0.000 2.273 1388 K HA 0.323 4.642 4.320 -0.001 0.000 0.240 1388 K C 0.299 176.905 176.600 0.009 0.000 1.056 1388 K CA -0.588 55.703 56.287 0.007 0.000 0.910 1388 K CB 0.302 32.804 32.500 0.004 0.000 1.196 1388 K HN 0.290 nan 8.250 nan 0.000 0.509 1389 I N 0.405 120.979 120.570 0.007 0.000 2.752 1389 I HA 0.121 4.290 4.170 -0.001 0.000 0.287 1389 I C 0.722 176.844 176.117 0.008 0.000 1.188 1389 I CA 0.967 62.271 61.300 0.008 0.000 1.427 1389 I CB 0.636 38.640 38.000 0.006 0.000 1.365 1389 I HN 0.907 nan 8.210 nan 0.000 0.585 1390 G N 4.983 113.789 108.800 0.010 0.000 2.495 1390 G HA2 0.421 4.380 3.960 -0.001 0.000 0.294 1390 G HA3 0.421 4.380 3.960 -0.001 0.000 0.294 1390 G C -0.398 174.510 174.900 0.013 0.000 1.397 1390 G CA -0.596 44.510 45.100 0.010 0.000 0.790 1390 G HN 0.415 nan 8.290 nan 0.000 0.486 1391 R N -0.491 120.017 120.500 0.014 0.000 2.531 1391 R HA 0.277 4.617 4.340 -0.001 0.000 0.316 1391 R C 0.634 176.948 176.300 0.022 0.000 0.955 1391 R CA -0.165 55.946 56.100 0.018 0.000 1.120 1391 R CB 0.916 31.226 30.300 0.016 0.000 1.361 1391 R HN 0.390 nan 8.270 nan 0.000 0.534 1392 S N 1.089 116.800 115.700 0.019 0.000 2.410 1392 S HA 0.203 4.672 4.470 -0.001 0.000 0.304 1392 S C 1.388 176.002 174.600 0.023 0.000 1.095 1392 S CA -0.385 57.827 58.200 0.020 0.000 1.089 1392 S CB 0.961 64.166 63.200 0.008 0.000 0.968 1392 S HN -0.058 nan 8.310 nan 0.000 0.480 1393 V N 7.465 127.408 119.914 0.047 0.000 2.515 1393 V HA -0.009 4.110 4.120 -0.001 0.000 0.250 1393 V C -1.077 175.045 176.094 0.046 0.000 1.058 1393 V CA 1.376 63.719 62.300 0.072 0.000 1.064 1393 V CB -1.036 30.860 31.823 0.121 0.000 0.675 1393 V HN 0.683 nan 8.190 nan 0.000 0.461 1394 P HA 0.202 nan 4.420 nan 0.000 0.245 1394 P C 0.399 177.540 177.300 -0.264 0.000 1.199 1394 P CA 0.465 63.380 63.100 -0.308 0.000 0.807 1394 P CB 0.061 31.548 31.700 -0.355 0.000 1.002 1395 A N 2.234 124.984 122.820 -0.117 0.000 2.540 1395 A HA 0.189 4.508 4.320 -0.001 0.000 0.264 1395 A C -1.946 175.589 177.584 -0.081 0.000 1.080 1395 A CA -0.420 51.566 52.037 -0.086 0.000 0.776 1395 A CB -1.271 17.705 19.000 -0.040 0.000 1.011 1395 A HN 0.124 nan 8.150 nan 0.000 0.514 1396 P HA 0.426 nan 4.420 nan 0.000 0.271 1396 P C 0.519 177.769 177.300 -0.083 0.000 1.216 1396 P CA 0.307 63.342 63.100 -0.109 0.000 0.771 1396 P CB 1.325 32.884 31.700 -0.236 0.000 0.864 1397 G N 1.248 110.048 108.800 -0.000 0.000 3.015 1397 G HA2 0.346 4.305 3.960 -0.001 0.000 0.281 1397 G HA3 0.346 4.305 3.960 -0.001 0.000 0.281 1397 G C -0.999 173.965 174.900 0.107 0.000 1.386 1397 G CA -0.614 44.502 45.100 0.027 0.000 0.959 1397 G HN 0.389 nan 8.290 nan 0.000 0.522 1398 Q N 0.239 120.088 119.800 0.082 0.000 2.735 1398 Q HA 0.247 4.587 4.340 -0.001 0.000 0.380 1398 Q C 1.555 177.603 176.000 0.081 0.000 1.060 1398 Q CA -0.095 55.771 55.803 0.104 0.000 1.025 1398 Q CB 0.905 29.671 28.738 0.047 0.000 1.350 1398 Q HN 0.652 nan 8.270 nan 0.000 0.424 1399 G N -0.057 108.803 108.800 0.100 0.000 2.402 1399 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 1399 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 1399 G C 1.280 176.184 174.900 0.007 0.000 1.162 1399 G CA 0.447 45.570 45.100 0.038 0.000 0.777 1399 G HN 0.357 nan 8.290 nan 0.000 0.539 1400 V N 1.386 121.304 119.914 0.007 0.000 3.026 1400 V HA -0.032 4.088 4.120 -0.001 0.000 0.265 1400 V C 2.525 178.595 176.094 -0.039 0.000 1.121 1400 V CA 0.621 62.881 62.300 -0.066 0.000 1.142 1400 V CB -0.488 31.233 31.823 -0.171 0.000 0.730 1400 V HN 0.340 nan 8.190 nan 0.000 0.503 1401 L N 1.604 122.824 121.223 -0.006 0.000 2.191 1401 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 1401 L C 2.490 179.331 176.870 -0.047 0.000 1.103 1401 L CA 2.261 57.086 54.840 -0.026 0.000 0.769 1401 L CB -0.496 41.547 42.059 -0.026 0.000 0.908 1401 L HN 0.675 nan 8.230 nan 0.000 0.438 1402 T N -5.050 109.479 114.554 -0.042 0.000 3.194 1402 T HA -0.061 4.289 4.350 -0.001 0.000 0.251 1402 T C 1.447 176.124 174.700 -0.038 0.000 1.132 1402 T CA 0.693 62.768 62.100 -0.041 0.000 1.028 1402 T CB -0.661 68.188 68.868 -0.031 0.000 0.976 1402 T HN 0.478 nan 8.240 nan 0.000 0.535 1403 T N -1.939 112.585 114.554 -0.051 0.000 3.148 1403 T HA 0.485 4.835 4.350 -0.001 0.000 0.253 1403 T C 1.395 176.056 174.700 -0.066 0.000 1.134 1403 T CA 0.181 62.244 62.100 -0.062 0.000 1.051 1403 T CB -0.155 68.660 68.868 -0.089 0.000 0.959 1403 T HN 0.455 nan 8.240 nan 0.000 0.525 1404 A N 1.850 124.644 122.820 -0.043 0.000 2.589 1404 A HA 0.386 4.705 4.320 -0.001 0.000 0.283 1404 A C 0.841 178.451 177.584 0.043 0.000 1.187 1404 A CA -0.887 51.143 52.037 -0.012 0.000 0.957 1404 A CB -0.139 18.859 19.000 -0.003 0.000 1.175 1404 A HN 0.643 nan 8.150 nan 0.000 0.532 1405 R N 0.900 121.405 120.500 0.008 0.000 2.401 1405 R HA 0.447 4.786 4.340 -0.001 0.000 0.299 1405 R C -0.468 175.874 176.300 0.069 0.000 1.064 1405 R CA 0.175 56.288 56.100 0.022 0.000 1.000 1405 R CB 0.357 30.656 30.300 -0.002 0.000 0.973 1405 R HN 0.355 nan 8.270 nan 0.000 0.438 1406 E N 2.903 123.189 120.200 0.143 0.000 2.451 1406 E HA 0.125 4.475 4.350 -0.001 0.000 0.295 1406 E C -1.757 174.927 176.600 0.141 0.000 0.966 1406 E CA -0.749 55.718 56.400 0.112 0.000 0.808 1406 E CB 1.777 31.513 29.700 0.060 0.000 1.242 1406 E HN 0.675 nan 8.360 nan 0.000 0.412 1407 K N 3.302 123.749 120.400 0.079 0.000 2.484 1407 K HA 0.276 4.596 4.320 -0.001 0.000 0.226 1407 K C -0.968 175.653 176.600 0.034 0.000 1.031 1407 K CA -0.416 55.909 56.287 0.062 0.000 1.026 1407 K CB 0.804 33.337 32.500 0.054 0.000 1.412 1407 K HN 0.534 nan 8.250 nan 0.000 0.492 1408 S N 0.925 116.631 115.700 0.009 0.000 2.545 1408 S HA 0.374 4.843 4.470 -0.001 0.000 0.275 1408 S C 0.957 175.557 174.600 -0.001 0.000 1.299 1408 S CA -0.853 57.350 58.200 0.004 0.000 1.048 1408 S CB 1.683 64.873 63.200 -0.018 0.000 0.938 1408 S HN 0.557 nan 8.310 nan 0.000 0.496 1409 G N 1.798 110.609 108.800 0.018 0.000 2.913 1409 G HA2 0.024 3.984 3.960 -0.001 0.000 0.145 1409 G HA3 0.024 3.984 3.960 -0.001 0.000 0.145 1409 G C 0.805 175.683 174.900 -0.036 0.000 1.801 1409 G CA -0.216 44.895 45.100 0.017 0.000 1.033 1409 G HN 0.776 nan 8.290 nan 0.000 0.495 1410 N N -0.874 117.792 118.700 -0.057 0.000 2.409 1410 N HA 0.100 4.840 4.740 -0.001 0.000 0.174 1410 N C -0.454 174.758 175.510 -0.497 0.000 1.037 1410 N CA 0.421 53.292 53.050 -0.298 0.000 0.898 1410 N CB 0.580 38.829 38.487 -0.397 0.000 1.010 1410 N HN 0.205 nan 8.380 nan 0.000 0.445 1411 F N 1.639 121.581 119.950 -0.013 0.000 2.482 1411 F HA 0.432 4.958 4.527 -0.001 0.000 0.331 1411 F C -2.030 173.757 175.800 -0.022 0.000 1.115 1411 F CA -2.304 55.685 58.000 -0.018 0.000 0.955 1411 F CB 1.026 40.013 39.000 -0.021 0.000 1.136 1411 F HN -0.235 nan 8.300 nan 0.000 0.452 1412 P HA 0.018 nan 4.420 nan 0.000 0.266 1412 P C -0.271 177.063 177.300 0.056 0.000 1.195 1412 P CA -0.177 62.966 63.100 0.071 0.000 0.768 1412 P CB 0.679 32.411 31.700 0.053 0.000 0.838 1413 S N 3.794 119.517 115.700 0.038 0.000 2.546 1413 S HA 0.041 4.511 4.470 -0.001 0.000 0.290 1413 S C -1.224 173.332 174.600 -0.073 0.000 1.290 1413 S CA -0.880 57.320 58.200 -0.000 0.000 1.069 1413 S CB -0.197 63.035 63.200 0.053 0.000 0.846 1413 S HN 0.246 nan 8.310 nan 0.000 0.495 1414 P HA -0.144 nan 4.420 nan 0.000 0.217 1414 P C 1.180 178.275 177.300 -0.341 0.000 1.151 1414 P CA 1.303 64.109 63.100 -0.490 0.000 0.849 1414 P CB -0.032 30.955 31.700 -1.188 0.000 0.787 1415 L N -2.032 119.093 121.223 -0.163 0.000 2.353 1415 L HA -0.126 4.213 4.340 -0.001 0.000 0.220 1415 L C 2.210 179.073 176.870 -0.011 0.000 1.133 1415 L CA 0.885 55.737 54.840 0.020 0.000 0.798 1415 L CB -0.851 41.338 42.059 0.217 0.000 0.922 1415 L HN -0.026 nan 8.230 nan 0.000 0.445 1416 L N -1.153 120.114 121.223 0.072 0.000 2.291 1416 L HA -0.056 4.283 4.340 -0.001 0.000 0.214 1416 L C 0.929 177.825 176.870 0.044 0.000 1.120 1416 L CA 0.364 55.265 54.840 0.103 0.000 0.799 1416 L CB -0.335 41.782 42.059 0.097 0.000 0.925 1416 L HN 0.169 nan 8.230 nan 0.000 0.446 1417 D N 0.819 121.228 120.400 0.016 0.000 2.325 1417 D HA 0.019 4.659 4.640 -0.001 0.000 0.251 1417 D C 1.051 177.362 176.300 0.017 0.000 1.196 1417 D CA 0.076 54.091 54.000 0.025 0.000 0.866 1417 D CB 1.402 42.220 40.800 0.031 0.000 1.101 1417 D HN 0.102 nan 8.370 nan 0.000 0.476 1418 I N 4.105 124.675 120.570 -0.000 0.000 2.454 1418 I HA -0.260 3.909 4.170 -0.001 0.000 0.254 1418 I C 1.670 177.764 176.117 -0.037 0.000 1.156 1418 I CA 1.042 62.322 61.300 -0.033 0.000 1.433 1418 I CB 0.272 38.264 38.000 -0.014 0.000 1.082 1418 I HN 0.317 nan 8.210 nan 0.000 0.432 1419 K N -0.065 120.330 120.400 -0.008 0.000 2.057 1419 K HA -0.243 4.077 4.320 -0.001 0.000 0.206 1419 K C 2.100 178.679 176.600 -0.035 0.000 1.050 1419 K CA 1.842 58.116 56.287 -0.023 0.000 0.935 1419 K CB -0.568 31.930 32.500 -0.003 0.000 0.715 1419 K HN 0.369 nan 8.250 nan 0.000 0.439 1420 Y N 2.332 122.568 120.300 -0.107 0.000 2.128 1420 Y HA -0.259 4.290 4.550 -0.001 0.000 0.284 1420 Y C 2.094 177.868 175.900 -0.209 0.000 1.154 1420 Y CA 1.561 59.584 58.100 -0.127 0.000 1.149 1420 Y CB 0.039 38.446 38.460 -0.088 0.000 0.976 1420 Y HN -0.069 nan 8.280 nan 0.000 0.505 1421 R N -0.281 120.131 120.500 -0.147 0.000 2.092 1421 R HA -0.130 4.209 4.340 -0.001 0.000 0.231 1421 R C 2.430 178.482 176.300 -0.412 0.000 1.119 1421 R CA 1.014 56.913 56.100 -0.335 0.000 0.970 1421 R CB -0.306 29.883 30.300 -0.185 0.000 0.864 1421 R HN 0.264 nan 8.270 nan 0.000 0.440 1422 R N 1.087 121.436 120.500 -0.253 0.000 2.097 1422 R HA -0.140 4.199 4.340 -0.001 0.000 0.236 1422 R C 2.234 178.369 176.300 -0.274 0.000 1.135 1422 R CA 1.624 57.598 56.100 -0.210 0.000 0.934 1422 R CB -0.405 29.817 30.300 -0.129 0.000 0.846 1422 R HN 0.257 nan 8.270 nan 0.000 0.431 1423 R N 0.264 120.582 120.500 -0.302 0.000 2.113 1423 R HA -0.179 4.161 4.340 -0.001 0.000 0.231 1423 R C 2.334 178.385 176.300 -0.416 0.000 1.129 1423 R CA 1.838 57.751 56.100 -0.312 0.000 0.915 1423 R CB -0.398 29.709 30.300 -0.322 0.000 0.837 1423 R HN 0.321 nan 8.270 nan 0.000 0.430 1424 Q N 0.533 119.930 119.800 -0.671 0.000 2.152 1424 Q HA -0.208 4.131 4.340 -0.001 0.000 0.206 1424 Q C 2.194 177.740 176.000 -0.756 0.000 0.985 1424 Q CA 1.233 56.534 55.803 -0.836 0.000 0.863 1424 Q CB -0.434 27.445 28.738 -1.431 0.000 0.904 1424 Q HN 0.273 nan 8.270 nan 0.000 0.422 1425 L N 1.172 121.976 121.223 -0.698 0.000 1.948 1425 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 1425 L C 1.955 178.715 176.870 -0.184 0.000 1.074 1425 L CA 1.969 56.602 54.840 -0.345 0.000 0.753 1425 L CB -0.498 41.429 42.059 -0.220 0.000 0.888 1425 L HN 0.050 nan 8.230 nan 0.000 0.432 1426 E N -0.480 119.619 120.200 -0.169 0.000 2.409 1426 E HA -0.165 4.185 4.350 -0.001 0.000 0.198 1426 E C 2.015 178.556 176.600 -0.099 0.000 1.024 1426 E CA 0.346 56.684 56.400 -0.103 0.000 0.861 1426 E CB -0.137 29.511 29.700 -0.087 0.000 0.788 1426 E HN 0.403 nan 8.360 nan 0.000 0.521 1427 L N 0.805 121.939 121.223 -0.147 0.000 1.976 1427 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 1427 L C 1.944 178.772 176.870 -0.069 0.000 1.071 1427 L CA 1.801 56.571 54.840 -0.117 0.000 0.746 1427 L CB -0.401 41.556 42.059 -0.169 0.000 0.890 1427 L HN 0.126 nan 8.230 nan 0.000 0.432 1428 R N -0.162 120.299 120.500 -0.066 0.000 2.189 1428 R HA -0.081 4.259 4.340 -0.001 0.000 0.223 1428 R C 2.144 178.437 176.300 -0.011 0.000 1.092 1428 R CA 0.545 56.636 56.100 -0.013 0.000 0.989 1428 R CB -0.244 30.079 30.300 0.040 0.000 0.876 1428 R HN 0.498 nan 8.270 nan 0.000 0.457 1429 R N -0.046 120.441 120.500 -0.022 0.000 2.090 1429 R HA -0.047 4.293 4.340 -0.001 0.000 0.228 1429 R C 2.145 178.451 176.300 0.011 0.000 1.110 1429 R CA 0.751 56.847 56.100 -0.006 0.000 0.973 1429 R CB 0.011 30.302 30.300 -0.015 0.000 0.869 1429 R HN 0.186 nan 8.270 nan 0.000 0.440 1430 Q N 0.869 120.670 119.800 0.002 0.000 1.990 1430 Q HA -0.178 4.161 4.340 -0.001 0.000 0.200 1430 Q C 2.013 178.036 176.000 0.039 0.000 0.980 1430 Q CA 1.398 57.212 55.803 0.017 0.000 0.832 1430 Q CB -0.215 28.523 28.738 0.001 0.000 0.897 1430 Q HN 0.373 nan 8.270 nan 0.000 0.427 1431 Q N -0.041 119.775 119.800 0.027 0.000 2.268 1431 Q HA -0.154 4.185 4.340 -0.001 0.000 0.210 1431 Q C 1.984 178.030 176.000 0.078 0.000 0.988 1431 Q CA 0.882 56.712 55.803 0.045 0.000 0.883 1431 Q CB -0.018 28.733 28.738 0.021 0.000 0.911 1431 Q HN 0.366 nan 8.270 nan 0.000 0.430 1432 I N -0.364 120.242 120.570 0.060 0.000 2.339 1432 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 1432 I C 2.328 178.553 176.117 0.181 0.000 1.096 1432 I CA 0.738 62.084 61.300 0.077 0.000 1.408 1432 I CB -0.127 37.877 38.000 0.007 0.000 1.092 1432 I HN 0.142 nan 8.210 nan 0.000 0.423 1433 K N 0.886 121.367 120.400 0.134 0.000 2.147 1433 K HA -0.247 4.072 4.320 -0.001 0.000 0.205 1433 K C 2.122 178.825 176.600 0.172 0.000 1.049 1433 K CA 1.613 57.989 56.287 0.149 0.000 0.936 1433 K CB 0.038 32.596 32.500 0.096 0.000 0.722 1433 K HN 0.482 nan 8.250 nan 0.000 0.446 1434 Q N -1.024 118.872 119.800 0.159 0.000 2.137 1434 Q HA -0.182 4.157 4.340 -0.001 0.000 0.198 1434 Q C 1.990 178.096 176.000 0.176 0.000 0.960 1434 Q CA 1.080 56.966 55.803 0.139 0.000 0.847 1434 Q CB -0.651 28.150 28.738 0.105 0.000 0.915 1434 Q HN 0.473 nan 8.270 nan 0.000 0.448 1435 W N 2.448 123.767 121.300 0.032 0.000 2.358 1435 W HA -0.149 4.511 4.660 -0.001 0.000 0.303 1435 W C 2.205 178.747 176.519 0.037 0.000 1.208 1435 W CA 1.892 59.251 57.345 0.023 0.000 1.274 1435 W CB 0.060 29.523 29.460 0.005 0.000 1.138 1435 W HN 0.094 nan 8.180 nan 0.000 0.515 1436 K N 0.149 120.800 120.400 0.419 0.000 2.113 1436 K HA -0.281 4.038 4.320 -0.001 0.000 0.208 1436 K C 1.738 178.378 176.600 0.066 0.000 1.047 1436 K CA 2.126 58.567 56.287 0.257 0.000 0.928 1436 K CB -0.146 32.566 32.500 0.353 0.000 0.716 1436 K HN 0.082 nan 8.250 nan 0.000 0.446 1437 E N -0.029 120.244 120.200 0.121 0.000 2.060 1437 E HA -0.064 4.285 4.350 -0.001 0.000 0.189 1437 E C 1.908 178.519 176.600 0.020 0.000 0.974 1437 E CA 0.949 57.441 56.400 0.154 0.000 0.808 1437 E CB -0.392 29.365 29.700 0.096 0.000 0.768 1437 E HN 0.204 nan 8.360 nan 0.000 0.453 1438 S N 0.246 115.899 115.700 -0.079 0.000 2.407 1438 S HA -0.283 4.186 4.470 -0.001 0.000 0.235 1438 S C 1.913 176.376 174.600 -0.229 0.000 1.036 1438 S CA 1.884 60.006 58.200 -0.129 0.000 1.013 1438 S CB -0.145 62.971 63.200 -0.140 0.000 0.820 1438 S HN 0.201 nan 8.310 nan 0.000 0.476 1439 E N -0.622 119.276 120.200 -0.503 0.000 2.112 1439 E HA -0.010 4.339 4.350 -0.001 0.000 0.190 1439 E C 1.609 178.056 176.600 -0.254 0.000 0.979 1439 E CA 1.039 57.094 56.400 -0.575 0.000 0.814 1439 E CB -0.454 28.529 29.700 -1.196 0.000 0.762 1439 E HN 0.680 nan 8.360 nan 0.000 0.460 1440 Y N 0.202 120.392 120.300 -0.184 0.000 2.165 1440 Y HA -0.182 4.367 4.550 -0.001 0.000 0.286 1440 Y C 2.129 178.008 175.900 -0.035 0.000 1.155 1440 Y CA 1.504 59.559 58.100 -0.074 0.000 1.164 1440 Y CB -0.562 37.866 38.460 -0.054 0.000 0.978 1440 Y HN 0.127 nan 8.280 nan 0.000 0.513 1441 L N -1.178 120.123 121.223 0.130 0.000 1.956 1441 L HA -0.312 4.027 4.340 -0.001 0.000 0.216 1441 L C 2.292 179.199 176.870 0.063 0.000 1.073 1441 L CA 1.932 56.814 54.840 0.070 0.000 0.762 1441 L CB -0.938 41.147 42.059 0.043 0.000 0.889 1441 L HN 0.301 nan 8.230 nan 0.000 0.433 1442 Y N -0.633 119.628 120.300 -0.066 0.000 2.228 1442 Y HA -0.319 4.230 4.550 -0.001 0.000 0.285 1442 Y C 2.242 178.112 175.900 -0.051 0.000 1.178 1442 Y CA 1.776 59.833 58.100 -0.072 0.000 1.202 1442 Y CB -0.054 38.338 38.460 -0.113 0.000 0.974 1442 Y HN 0.193 nan 8.280 nan 0.000 0.527 1443 L N -0.661 120.642 121.223 0.132 0.000 2.109 1443 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 1443 L C 2.403 179.296 176.870 0.039 0.000 1.086 1443 L CA 1.267 56.166 54.840 0.099 0.000 0.760 1443 L CB -0.499 41.615 42.059 0.091 0.000 0.910 1443 L HN 0.231 nan 8.230 nan 0.000 0.437 1444 Q N 0.669 120.489 119.800 0.034 0.000 2.061 1444 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 1444 Q C 1.931 177.897 176.000 -0.057 0.000 0.984 1444 Q CA 1.945 57.751 55.803 0.004 0.000 0.846 1444 Q CB 0.000 28.745 28.738 0.010 0.000 0.902 1444 Q HN 0.467 nan 8.270 nan 0.000 0.421 1445 E N -0.062 120.073 120.200 -0.109 0.000 2.007 1445 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 1445 E C 1.930 178.415 176.600 -0.190 0.000 0.999 1445 E CA 1.177 57.477 56.400 -0.166 0.000 0.811 1445 E CB -0.337 29.214 29.700 -0.249 0.000 0.762 1445 E HN 0.482 nan 8.360 nan 0.000 0.450 1446 E N 1.084 121.138 120.200 -0.242 0.000 2.273 1446 E HA -0.198 4.152 4.350 -0.001 0.000 0.198 1446 E C 1.989 178.480 176.600 -0.181 0.000 1.002 1446 E CA 0.671 56.948 56.400 -0.206 0.000 0.828 1446 E CB 0.149 29.759 29.700 -0.149 0.000 0.747 1446 E HN 0.052 nan 8.360 nan 0.000 0.491 1447 V N 1.019 120.849 119.914 -0.139 0.000 2.223 1447 V HA -0.251 3.868 4.120 -0.001 0.000 0.244 1447 V C 2.332 178.310 176.094 -0.193 0.000 1.045 1447 V CA 2.077 64.279 62.300 -0.163 0.000 1.000 1447 V CB -0.663 31.120 31.823 -0.066 0.000 0.635 1447 V HN 0.455 nan 8.190 nan 0.000 0.445 1448 A N -0.760 121.977 122.820 -0.138 0.000 2.206 1448 A HA 0.259 4.578 4.320 -0.001 0.000 0.211 1448 A C 2.138 179.638 177.584 -0.140 0.000 1.158 1448 A CA 1.213 53.175 52.037 -0.125 0.000 0.761 1448 A CB -0.439 18.508 19.000 -0.088 0.000 0.801 1448 A HN 0.563 nan 8.150 nan 0.000 0.473 1449 A N -0.250 122.472 122.820 -0.163 0.000 2.119 1449 A HA 0.209 4.528 4.320 -0.001 0.000 0.216 1449 A C 1.591 179.068 177.584 -0.179 0.000 1.152 1449 A CA 1.026 52.968 52.037 -0.159 0.000 0.708 1449 A CB -0.349 18.550 19.000 -0.169 0.000 0.805 1449 A HN 0.505 nan 8.150 nan 0.000 0.460 1450 I N -1.876 118.547 120.570 -0.245 0.000 4.018 1450 I HA 0.080 4.249 4.170 -0.001 0.000 0.337 1450 I C 1.612 177.554 176.117 -0.292 0.000 1.327 1450 I CA 0.106 61.224 61.300 -0.303 0.000 1.100 1450 I CB 0.229 37.946 38.000 -0.472 0.000 1.025 1450 I HN 0.085 nan 8.210 nan 0.000 0.396 1451 K N 1.226 121.492 120.400 -0.223 0.000 2.167 1451 K HA -0.038 4.282 4.320 -0.001 0.000 0.203 1451 K C 2.290 178.828 176.600 -0.103 0.000 1.052 1451 K CA 1.554 57.751 56.287 -0.150 0.000 0.956 1451 K CB -0.005 32.426 32.500 -0.116 0.000 0.735 1451 K HN 0.338 nan 8.250 nan 0.000 0.451 1452 S N 0.764 116.403 115.700 -0.103 0.000 2.461 1452 S HA -0.095 4.375 4.470 -0.001 0.000 0.228 1452 S C 1.748 176.307 174.600 -0.069 0.000 1.005 1452 S CA 0.587 58.742 58.200 -0.075 0.000 0.942 1452 S CB -0.010 63.146 63.200 -0.072 0.000 0.776 1452 S HN 0.268 nan 8.310 nan 0.000 0.514 1453 Q N 0.211 119.960 119.800 -0.086 0.000 2.396 1453 Q HA 0.256 4.596 4.340 -0.001 0.000 0.209 1453 Q C 0.768 176.734 176.000 -0.057 0.000 0.906 1453 Q CA -0.178 55.583 55.803 -0.070 0.000 0.927 1453 Q CB 0.199 28.888 28.738 -0.082 0.000 1.069 1453 Q HN 0.396 nan 8.270 nan 0.000 0.523 1454 R N 2.549 123.009 120.500 -0.066 0.000 2.421 1454 R HA 0.058 4.398 4.340 -0.001 0.000 0.305 1454 R C -0.455 175.842 176.300 -0.005 0.000 1.039 1454 R CA 0.032 56.116 56.100 -0.028 0.000 1.003 1454 R CB 0.469 30.757 30.300 -0.020 0.000 0.959 1454 R HN 0.120 nan 8.270 nan 0.000 0.427 1455 S N 2.932 118.638 115.700 0.009 0.000 2.624 1455 S HA 0.041 4.511 4.470 -0.001 0.000 0.263 1455 S C 0.684 175.296 174.600 0.020 0.000 1.287 1455 S CA -0.701 57.505 58.200 0.010 0.000 0.990 1455 S CB 1.083 64.289 63.200 0.010 0.000 0.950 1455 S HN 0.664 nan 8.310 nan 0.000 0.561 1456 E N 0.523 120.731 120.200 0.014 0.000 2.358 1456 E HA -0.050 4.300 4.350 -0.001 0.000 0.195 1456 E C 1.149 177.758 176.600 0.016 0.000 1.010 1456 E CA 0.890 57.299 56.400 0.015 0.000 0.856 1456 E CB -0.609 29.096 29.700 0.008 0.000 0.795 1456 E HN 0.888 nan 8.360 nan 0.000 0.504 1457 E N 0.896 121.105 120.200 0.016 0.000 2.371 1457 E HA 0.021 4.371 4.350 -0.001 0.000 0.194 1457 E C -0.059 176.553 176.600 0.020 0.000 1.012 1457 E CA 0.273 56.681 56.400 0.014 0.000 0.860 1457 E CB -0.038 29.669 29.700 0.011 0.000 0.811 1457 E HN 0.098 nan 8.360 nan 0.000 0.502 1458 D N 1.654 122.074 120.400 0.034 0.000 2.372 1458 D HA 0.181 4.820 4.640 -0.001 0.000 0.243 1458 D C 0.462 176.790 176.300 0.047 0.000 1.121 1458 D CA 0.169 54.201 54.000 0.054 0.000 0.898 1458 D CB 0.812 41.667 40.800 0.092 0.000 1.202 1458 D HN 0.175 nan 8.370 nan 0.000 0.428 1459 G N 1.508 110.320 108.800 0.019 0.000 2.305 1459 G HA2 0.219 4.178 3.960 -0.001 0.000 0.243 1459 G HA3 0.219 4.178 3.960 -0.001 0.000 0.243 1459 G C -2.193 172.701 174.900 -0.009 0.000 1.288 1459 G CA -0.807 44.271 45.100 -0.037 0.000 0.901 1459 G HN 0.258 nan 8.290 nan 0.000 0.516 1460 P HA 0.007 nan 4.420 nan 0.000 0.258 1460 P C -0.429 176.874 177.300 0.005 0.000 1.187 1460 P CA 0.207 63.329 63.100 0.036 0.000 0.767 1460 P CB 0.142 31.849 31.700 0.012 0.000 0.770 1461 F N 3.015 122.954 119.950 -0.020 0.000 2.438 1461 F HA 0.050 4.576 4.527 -0.001 0.000 0.360 1461 F C 0.982 176.784 175.800 0.003 0.000 1.118 1461 F CA 0.101 58.090 58.000 -0.018 0.000 1.164 1461 F CB 0.118 39.065 39.000 -0.088 0.000 1.131 1461 F HN 0.215 nan 8.300 nan 0.000 0.527 1462 D N 4.147 124.610 120.400 0.105 0.000 2.359 1462 D HA -0.091 4.548 4.640 -0.001 0.000 0.273 1462 D C 1.413 177.820 176.300 0.177 0.000 1.362 1462 D CA 0.465 54.530 54.000 0.108 0.000 1.010 1462 D CB 0.345 41.184 40.800 0.064 0.000 1.090 1462 D HN 0.675 nan 8.370 nan 0.000 0.521 1463 E N 1.338 121.624 120.200 0.144 0.000 2.118 1463 E HA -0.188 4.162 4.350 -0.001 0.000 0.195 1463 E C 1.085 177.775 176.600 0.149 0.000 0.992 1463 E CA 1.164 57.648 56.400 0.139 0.000 0.804 1463 E CB 0.385 30.131 29.700 0.076 0.000 0.741 1463 E HN 0.317 nan 8.360 nan 0.000 0.458 1464 T N 0.531 115.151 114.554 0.111 0.000 2.708 1464 T HA -0.133 4.216 4.350 -0.001 0.000 0.266 1464 T C 1.822 176.587 174.700 0.107 0.000 1.037 1464 T CA 1.255 63.411 62.100 0.095 0.000 1.146 1464 T CB -0.329 68.578 68.868 0.065 0.000 0.865 1464 T HN 0.331 nan 8.240 nan 0.000 0.435 1465 A N 0.819 123.707 122.820 0.113 0.000 1.828 1465 A HA -0.114 4.206 4.320 -0.001 0.000 0.215 1465 A C 2.107 179.778 177.584 0.144 0.000 1.203 1465 A CA 1.757 53.857 52.037 0.104 0.000 0.614 1465 A CB -1.368 17.683 19.000 0.085 0.000 0.844 1465 A HN 0.573 nan 8.150 nan 0.000 0.445 1466 Y N 0.030 120.387 120.300 0.094 0.000 2.165 1466 Y HA -0.175 4.375 4.550 -0.001 0.000 0.286 1466 Y C 2.062 178.014 175.900 0.086 0.000 1.155 1466 Y CA 1.946 60.119 58.100 0.122 0.000 1.164 1466 Y CB -0.126 38.470 38.460 0.227 0.000 0.978 1466 Y HN 0.229 nan 8.280 nan 0.000 0.513 1467 L N -0.137 121.277 121.223 0.317 0.000 2.240 1467 L HA -0.122 4.217 4.340 -0.001 0.000 0.211 1467 L C 2.653 179.592 176.870 0.115 0.000 1.106 1467 L CA 0.958 55.930 54.840 0.219 0.000 0.793 1467 L CB -0.389 41.785 42.059 0.192 0.000 0.927 1467 L HN 0.237 nan 8.230 nan 0.000 0.446 1468 R N 0.698 121.254 120.500 0.093 0.000 2.082 1468 R HA -0.205 4.134 4.340 -0.001 0.000 0.228 1468 R C 1.951 178.273 176.300 0.037 0.000 1.140 1468 R CA 1.892 58.032 56.100 0.067 0.000 0.920 1468 R CB -0.310 30.025 30.300 0.058 0.000 0.828 1468 R HN 0.292 nan 8.270 nan 0.000 0.430 1469 E N -0.334 119.865 120.200 -0.001 0.000 2.130 1469 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 1469 E C 2.219 178.798 176.600 -0.035 0.000 0.998 1469 E CA 1.024 57.408 56.400 -0.026 0.000 0.806 1469 E CB 0.013 29.668 29.700 -0.074 0.000 0.738 1469 E HN 0.250 nan 8.360 nan 0.000 0.459 1470 R N -0.078 120.362 120.500 -0.099 0.000 2.090 1470 R HA -0.058 4.282 4.340 -0.001 0.000 0.228 1470 R C 2.597 178.882 176.300 -0.025 0.000 1.110 1470 R CA 1.685 57.712 56.100 -0.121 0.000 0.973 1470 R CB -1.057 29.146 30.300 -0.161 0.000 0.869 1470 R HN 0.377 nan 8.270 nan 0.000 0.440 1471 T N -1.340 113.233 114.554 0.032 0.000 2.770 1471 T HA -0.051 4.298 4.350 -0.001 0.000 0.263 1471 T C 1.666 176.408 174.700 0.071 0.000 1.039 1471 T CA 0.918 63.054 62.100 0.060 0.000 1.142 1471 T CB -0.210 68.773 68.868 0.192 0.000 0.868 1471 T HN 0.254 nan 8.240 nan 0.000 0.435 1472 E N 0.572 120.823 120.200 0.085 0.000 2.097 1472 E HA -0.279 4.071 4.350 -0.001 0.000 0.196 1472 E C 2.258 178.908 176.600 0.084 0.000 1.000 1472 E CA 1.514 57.961 56.400 0.079 0.000 0.804 1472 E CB -0.382 29.355 29.700 0.061 0.000 0.740 1472 E HN 0.620 nan 8.360 nan 0.000 0.454 1473 H N 1.269 120.329 119.070 -0.017 0.000 2.321 1473 H HA -0.089 4.467 4.556 -0.001 0.000 0.300 1473 H C 1.999 177.329 175.328 0.004 0.000 1.087 1473 H CA 1.474 57.513 56.048 -0.014 0.000 1.319 1473 H CB -0.174 29.567 29.762 -0.034 0.000 1.379 1473 H HN 0.162 nan 8.280 nan 0.000 0.501 1474 I N 0.797 121.524 120.570 0.261 0.000 2.361 1474 I HA -0.213 3.957 4.170 -0.001 0.000 0.251 1474 I C 2.518 178.704 176.117 0.115 0.000 1.133 1474 I CA 0.920 62.316 61.300 0.160 0.000 1.413 1474 I CB -0.192 37.648 38.000 -0.267 0.000 1.073 1474 I HN 0.231 nan 8.210 nan 0.000 0.424 1475 E N 1.162 121.403 120.200 0.069 0.000 2.007 1475 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 1475 E C 2.242 178.866 176.600 0.040 0.000 0.999 1475 E CA 1.183 57.633 56.400 0.083 0.000 0.811 1475 E CB -0.349 29.404 29.700 0.089 0.000 0.762 1475 E HN 0.422 nan 8.360 nan 0.000 0.450 1476 R N 0.592 121.084 120.500 -0.013 0.000 2.143 1476 R HA -0.229 4.111 4.340 -0.001 0.000 0.239 1476 R C 2.388 178.628 176.300 -0.100 0.000 1.126 1476 R CA 1.941 57.999 56.100 -0.070 0.000 0.927 1476 R CB -0.452 29.770 30.300 -0.130 0.000 0.860 1476 R HN 0.095 nan 8.270 nan 0.000 0.433 1477 E N 0.388 120.490 120.200 -0.163 0.000 2.171 1477 E HA -0.193 4.156 4.350 -0.001 0.000 0.197 1477 E C 1.673 178.195 176.600 -0.130 0.000 0.997 1477 E CA 1.664 57.967 56.400 -0.162 0.000 0.810 1477 E CB -0.144 29.502 29.700 -0.090 0.000 0.738 1477 E HN 0.412 nan 8.360 nan 0.000 0.467 1478 A N 0.419 123.238 122.820 -0.001 0.000 1.840 1478 A HA -0.118 4.201 4.320 -0.001 0.000 0.214 1478 A C 2.246 179.806 177.584 -0.041 0.000 1.198 1478 A CA 1.544 53.582 52.037 0.002 0.000 0.608 1478 A CB -0.501 18.606 19.000 0.177 0.000 0.839 1478 A HN 0.202 nan 8.150 nan 0.000 0.443 1479 R N -0.920 119.573 120.500 -0.011 0.000 2.096 1479 R HA -0.169 4.170 4.340 -0.001 0.000 0.240 1479 R C 2.570 178.842 176.300 -0.047 0.000 1.139 1479 R CA 1.831 57.922 56.100 -0.016 0.000 0.952 1479 R CB -0.328 29.970 30.300 -0.004 0.000 0.854 1479 R HN 0.525 nan 8.270 nan 0.000 0.436 1480 R N 0.440 120.895 120.500 -0.075 0.000 2.097 1480 R HA -0.237 4.103 4.340 -0.001 0.000 0.236 1480 R C 2.289 178.525 176.300 -0.108 0.000 1.135 1480 R CA 2.023 58.068 56.100 -0.092 0.000 0.934 1480 R CB -0.208 30.021 30.300 -0.118 0.000 0.846 1480 R HN 0.099 nan 8.270 nan 0.000 0.431 1481 Q N 0.537 120.244 119.800 -0.155 0.000 2.197 1481 Q HA -0.179 4.160 4.340 -0.001 0.000 0.207 1481 Q C 1.690 177.620 176.000 -0.117 0.000 0.984 1481 Q CA 1.673 57.365 55.803 -0.185 0.000 0.869 1481 Q CB -0.012 28.536 28.738 -0.317 0.000 0.906 1481 Q HN 0.350 nan 8.270 nan 0.000 0.426 1482 E N -0.884 119.268 120.200 -0.080 0.000 1.998 1482 E HA -0.203 4.147 4.350 -0.001 0.000 0.196 1482 E C 1.835 178.417 176.600 -0.029 0.000 1.003 1482 E CA 1.023 57.400 56.400 -0.039 0.000 0.829 1482 E CB -0.313 29.376 29.700 -0.017 0.000 0.777 1482 E HN 0.425 nan 8.360 nan 0.000 0.460 1483 A N 1.323 124.126 122.820 -0.030 0.000 1.971 1483 A HA -0.292 4.028 4.320 -0.001 0.000 0.222 1483 A C 1.924 179.487 177.584 -0.036 0.000 1.182 1483 A CA 2.093 54.115 52.037 -0.025 0.000 0.649 1483 A CB -0.656 18.328 19.000 -0.026 0.000 0.818 1483 A HN 0.320 nan 8.150 nan 0.000 0.458 1484 E N -0.841 119.325 120.200 -0.057 0.000 2.106 1484 E HA -0.034 4.315 4.350 -0.001 0.000 0.192 1484 E C 2.270 178.831 176.600 -0.066 0.000 0.984 1484 E CA 0.833 57.189 56.400 -0.073 0.000 0.806 1484 E CB -0.223 29.419 29.700 -0.096 0.000 0.750 1484 E HN 0.650 nan 8.360 nan 0.000 0.458 1485 A N 0.793 123.592 122.820 -0.035 0.000 2.014 1485 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 1485 A C 2.002 179.645 177.584 0.097 0.000 1.163 1485 A CA 0.931 52.985 52.037 0.028 0.000 0.652 1485 A CB -0.236 18.806 19.000 0.071 0.000 0.808 1485 A HN 0.160 nan 8.150 nan 0.000 0.449 1486 Q N -0.862 118.967 119.800 0.048 0.000 2.167 1486 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 1486 Q C 1.923 177.945 176.000 0.037 0.000 0.970 1486 Q CA 1.738 57.573 55.803 0.054 0.000 0.855 1486 Q CB -0.127 28.621 28.738 0.017 0.000 0.911 1486 Q HN 0.597 nan 8.270 nan 0.000 0.438 1487 T N 0.004 114.551 114.554 -0.012 0.000 2.701 1487 T HA -0.111 4.238 4.350 -0.001 0.000 0.263 1487 T C 1.713 176.374 174.700 -0.065 0.000 1.040 1487 T CA 1.517 63.591 62.100 -0.043 0.000 1.147 1487 T CB -0.172 68.649 68.868 -0.079 0.000 0.865 1487 T HN 0.469 nan 8.240 nan 0.000 0.426 1488 S N -0.215 115.398 115.700 -0.145 0.000 2.607 1488 S HA 0.164 4.633 4.470 -0.001 0.000 0.224 1488 S C 1.120 175.473 174.600 -0.412 0.000 0.969 1488 S CA 0.282 58.301 58.200 -0.301 0.000 0.927 1488 S CB -0.507 62.427 63.200 -0.443 0.000 0.772 1488 S HN 0.525 nan 8.310 nan 0.000 0.533 1489 F N -0.064 119.914 119.950 0.046 0.000 2.817 1489 F HA 0.425 4.952 4.527 -0.001 0.000 0.333 1489 F C 1.977 177.756 175.800 -0.034 0.000 1.085 1489 F CA -0.221 57.777 58.000 -0.004 0.000 1.170 1489 F CB 0.980 39.936 39.000 -0.074 0.000 1.066 1489 F HN 0.383 nan 8.300 nan 0.000 0.564 1490 G N -0.757 108.174 108.800 0.219 0.000 2.659 1490 G HA2 0.045 4.004 3.960 -0.001 0.000 0.197 1490 G HA3 0.045 4.004 3.960 -0.001 0.000 0.197 1490 G C 1.029 176.072 174.900 0.237 0.000 1.099 1490 G CA 0.115 45.305 45.100 0.151 0.000 0.759 1490 G HN 0.076 nan 8.290 nan 0.000 0.715 1491 N N 0.583 119.388 118.700 0.176 0.000 2.517 1491 N HA 0.034 4.773 4.740 -0.001 0.000 0.202 1491 N C 0.692 176.197 175.510 -0.008 0.000 1.042 1491 N CA 0.504 53.610 53.050 0.094 0.000 0.952 1491 N CB 0.498 38.988 38.487 0.005 0.000 1.211 1491 N HN 0.174 nan 8.380 nan 0.000 0.458 1492 E N 1.017 121.112 120.200 -0.174 0.000 2.585 1492 E HA 0.066 4.415 4.350 -0.001 0.000 0.206 1492 E C 0.133 176.415 176.600 -0.530 0.000 1.007 1492 E CA -0.263 55.797 56.400 -0.567 0.000 1.028 1492 E CB -0.081 29.368 29.700 -0.419 0.000 1.087 1492 E HN 0.402 nan 8.360 nan 0.000 0.455 1493 F N -0.545 119.257 119.950 -0.247 0.000 2.771 1493 F HA 0.016 4.543 4.527 -0.001 0.000 0.299 1493 F C 1.215 177.023 175.800 0.013 0.000 1.177 1493 F CA -0.201 57.740 58.000 -0.097 0.000 1.450 1493 F CB -0.331 38.711 39.000 0.070 0.000 1.114 1493 F HN 0.139 nan 8.300 nan 0.000 0.587 1494 W N 1.155 122.153 121.300 -0.502 0.000 2.862 1494 W HA 0.382 5.041 4.660 -0.001 0.000 0.376 1494 W C 0.274 176.681 176.519 -0.187 0.000 1.028 1494 W CA -0.806 56.323 57.345 -0.359 0.000 1.757 1494 W CB -1.028 28.110 29.460 -0.537 0.000 1.128 1494 W HN -0.029 nan 8.180 nan 0.000 0.566 1495 R N 3.400 123.607 120.500 -0.487 0.000 2.473 1495 R HA -0.032 4.308 4.340 -0.001 0.000 0.315 1495 R C 0.943 177.178 176.300 -0.108 0.000 0.972 1495 R CA 0.493 56.385 56.100 -0.348 0.000 1.047 1495 R CB 0.069 30.138 30.300 -0.385 0.000 0.932 1495 R HN 0.204 nan 8.270 nan 0.000 0.411 1496 R N 1.826 122.314 120.500 -0.020 0.000 3.758 1496 R HA -0.193 4.147 4.340 -0.001 0.000 0.299 1496 R C -0.841 175.479 176.300 0.034 0.000 1.182 1496 R CA 1.229 57.335 56.100 0.010 0.000 0.809 1496 R CB -1.122 29.166 30.300 -0.020 0.000 1.249 1496 R HN 0.728 nan 8.270 nan 0.000 0.497 1497 D N 0.290 120.733 120.400 0.071 0.000 2.365 1497 D HA 0.078 4.717 4.640 -0.001 0.000 0.237 1497 D C 0.978 177.326 176.300 0.080 0.000 1.190 1497 D CA 0.339 54.389 54.000 0.084 0.000 0.867 1497 D CB 1.243 42.119 40.800 0.127 0.000 1.050 1497 D HN 0.113 nan 8.370 nan 0.000 0.491 1498 S N 3.882 119.617 115.700 0.059 0.000 2.465 1498 S HA -0.133 4.337 4.470 -0.001 0.000 0.241 1498 S C 1.192 175.826 174.600 0.055 0.000 1.000 1498 S CA 0.937 59.167 58.200 0.051 0.000 0.964 1498 S CB 0.074 63.299 63.200 0.040 0.000 0.763 1498 S HN 0.525 nan 8.310 nan 0.000 0.512 1499 R N 0.013 120.551 120.500 0.063 0.000 2.509 1499 R HA 0.466 4.805 4.340 -0.001 0.000 0.300 1499 R C -0.568 175.770 176.300 0.062 0.000 0.985 1499 R CA 0.023 56.158 56.100 0.059 0.000 1.092 1499 R CB 0.408 30.744 30.300 0.059 0.000 1.237 1499 R HN 0.368 nan 8.270 nan 0.000 0.546 1500 I N 1.191 121.803 120.570 0.069 0.000 2.563 1500 I HA 0.271 4.441 4.170 -0.001 0.000 0.285 1500 I C -0.466 175.661 176.117 0.017 0.000 1.123 1500 I CA -0.915 60.416 61.300 0.053 0.000 1.059 1500 I CB 1.938 40.004 38.000 0.109 0.000 1.229 1500 I HN 0.021 nan 8.210 nan 0.000 0.442 1501 A N 7.789 130.591 122.820 -0.030 0.000 2.477 1501 A HA 0.393 4.712 4.320 -0.001 0.000 0.246 1501 A C -1.764 175.698 177.584 -0.203 0.000 1.078 1501 A CA -0.909 51.090 52.037 -0.064 0.000 0.770 1501 A CB -0.042 18.928 19.000 -0.050 0.000 1.011 1501 A HN 0.531 nan 8.150 nan 0.000 0.494 1502 P HA -0.159 nan 4.420 nan 0.000 0.218 1502 P C 1.453 178.364 177.300 -0.650 0.000 1.148 1502 P CA 0.894 63.679 63.100 -0.525 0.000 0.822 1502 P CB 0.067 31.664 31.700 -0.172 0.000 0.784 1503 L N -1.271 119.737 121.223 -0.358 0.000 1.994 1503 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 1503 L C 2.794 179.473 176.870 -0.318 0.000 1.071 1503 L CA 1.586 56.247 54.840 -0.298 0.000 0.745 1503 L CB -0.496 41.452 42.059 -0.184 0.000 0.892 1503 L HN -0.131 nan 8.230 nan 0.000 0.431 1504 R N -0.026 120.313 120.500 -0.269 0.000 2.097 1504 R HA -0.176 4.164 4.340 -0.001 0.000 0.236 1504 R C 2.073 178.164 176.300 -0.348 0.000 1.135 1504 R CA 1.618 57.587 56.100 -0.219 0.000 0.934 1504 R CB -1.438 28.777 30.300 -0.141 0.000 0.846 1504 R HN 0.514 nan 8.270 nan 0.000 0.431 1505 G N 0.472 108.864 108.800 -0.679 0.000 2.777 1505 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.217 1505 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.217 1505 G C 1.514 175.816 174.900 -0.996 0.000 1.295 1505 G CA 1.875 46.175 45.100 -1.332 0.000 0.800 1505 G HN 0.509 nan 8.290 nan 0.000 0.637 1506 A N -0.178 122.025 122.820 -1.028 0.000 2.024 1506 A HA 0.113 4.432 4.320 -0.001 0.000 0.220 1506 A C 2.487 180.080 177.584 0.016 0.000 1.164 1506 A CA 1.466 53.351 52.037 -0.253 0.000 0.643 1506 A CB -0.298 18.606 19.000 -0.159 0.000 0.806 1506 A HN 0.402 nan 8.150 nan 0.000 0.451 1507 L N -1.328 119.833 121.223 -0.102 0.000 2.095 1507 L HA -0.095 4.244 4.340 -0.001 0.000 0.204 1507 L C 3.073 180.011 176.870 0.114 0.000 1.080 1507 L CA 0.907 55.752 54.840 0.009 0.000 0.759 1507 L CB -0.467 41.550 42.059 -0.069 0.000 0.914 1507 L HN 0.420 nan 8.230 nan 0.000 0.439 1508 A N 0.063 122.934 122.820 0.085 0.000 1.972 1508 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 1508 A C 2.353 180.088 177.584 0.251 0.000 1.169 1508 A CA 2.049 54.197 52.037 0.184 0.000 0.635 1508 A CB -0.977 18.169 19.000 0.243 0.000 0.810 1508 A HN 0.523 nan 8.150 nan 0.000 0.446 1509 T N -4.845 109.877 114.554 0.279 0.000 2.946 1509 T HA -0.184 4.165 4.350 -0.001 0.000 0.271 1509 T C 1.080 175.644 174.700 -0.226 0.000 1.104 1509 T CA 1.323 63.517 62.100 0.157 0.000 1.114 1509 T CB -0.503 68.434 68.868 0.115 0.000 0.867 1509 T HN 0.646 nan 8.240 nan 0.000 0.513 1510 W N 0.733 122.129 121.300 0.160 0.000 3.008 1510 W HA 0.580 5.240 4.660 -0.001 0.000 0.355 1510 W C 1.310 177.958 176.519 0.216 0.000 1.095 1510 W CA -0.328 57.120 57.345 0.172 0.000 1.738 1510 W CB 0.327 29.841 29.460 0.090 0.000 1.091 1510 W HN 0.387 nan 8.180 nan 0.000 0.574 1511 G N 1.650 110.628 108.800 0.296 0.000 2.325 1511 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.248 1511 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.248 1511 G C -0.822 174.213 174.900 0.225 0.000 1.108 1511 G CA -0.505 44.734 45.100 0.232 0.000 0.881 1511 G HN 0.159 nan 8.290 nan 0.000 0.494 1512 L N -0.145 121.180 121.223 0.169 0.000 2.424 1512 L HA 0.821 5.160 4.340 -0.001 0.000 0.258 1512 L C 0.698 177.613 176.870 0.075 0.000 0.995 1512 L CA -0.653 54.257 54.840 0.115 0.000 0.821 1512 L CB 2.415 44.503 42.059 0.048 0.000 1.383 1512 L HN 0.377 nan 8.230 nan 0.000 0.410 1513 T N -2.814 111.779 114.554 0.065 0.000 2.889 1513 T HA 0.509 4.858 4.350 -0.001 0.000 0.278 1513 T C 1.174 175.887 174.700 0.022 0.000 0.995 1513 T CA -0.746 61.379 62.100 0.042 0.000 0.966 1513 T CB 0.981 69.883 68.868 0.057 0.000 1.237 1513 T HN 0.449 nan 8.240 nan 0.000 0.591 1514 I N -0.207 120.367 120.570 0.007 0.000 2.567 1514 I HA -0.075 4.095 4.170 -0.001 0.000 0.257 1514 I C 1.531 177.660 176.117 0.020 0.000 1.184 1514 I CA 1.008 62.305 61.300 -0.004 0.000 1.451 1514 I CB -0.719 37.273 38.000 -0.013 0.000 1.089 1514 I HN 0.454 nan 8.210 nan 0.000 0.441 1515 D N 1.105 121.532 120.400 0.046 0.000 2.350 1515 D HA -0.112 4.527 4.640 -0.001 0.000 0.216 1515 D C 1.419 177.766 176.300 0.078 0.000 0.968 1515 D CA 0.915 54.951 54.000 0.060 0.000 0.894 1515 D CB -0.171 40.703 40.800 0.123 0.000 0.909 1515 D HN 0.464 nan 8.370 nan 0.000 0.520 1516 D N -0.190 120.251 120.400 0.068 0.000 2.360 1516 D HA -0.023 4.617 4.640 -0.001 0.000 0.210 1516 D C 0.538 176.870 176.300 0.052 0.000 1.047 1516 D CA -0.217 53.829 54.000 0.075 0.000 0.854 1516 D CB 0.668 41.506 40.800 0.062 0.000 0.936 1516 D HN 0.101 nan 8.370 nan 0.000 0.514 1517 L N 1.812 123.054 121.223 0.032 0.000 2.433 1517 L HA 0.226 4.566 4.340 -0.001 0.000 0.284 1517 L C 1.367 178.282 176.870 0.075 0.000 1.120 1517 L CA 0.124 54.982 54.840 0.029 0.000 0.879 1517 L CB 0.636 42.697 42.059 0.003 0.000 1.232 1517 L HN -0.098 nan 8.230 nan 0.000 0.454 1518 G N 3.821 112.685 108.800 0.108 0.000 2.447 1518 G HA2 0.078 4.038 3.960 -0.001 0.000 0.211 1518 G HA3 0.078 4.038 3.960 -0.001 0.000 0.211 1518 G C 0.194 175.173 174.900 0.132 0.000 1.184 1518 G CA 0.055 45.235 45.100 0.135 0.000 0.813 1518 G HN 0.348 nan 8.290 nan 0.000 0.540 1519 V N 1.161 121.163 119.914 0.146 0.000 2.459 1519 V HA 0.701 4.820 4.120 -0.001 0.000 0.295 1519 V C -0.297 175.895 176.094 0.163 0.000 1.029 1519 V CA -0.730 61.651 62.300 0.134 0.000 0.874 1519 V CB 1.382 33.270 31.823 0.108 0.000 0.985 1519 V HN 0.451 nan 8.190 nan 0.000 0.438 1520 A N 3.742 126.659 122.820 0.161 0.000 2.258 1520 A HA 0.670 4.990 4.320 -0.001 0.000 0.316 1520 A C 0.015 177.729 177.584 0.215 0.000 1.279 1520 A CA -0.309 51.837 52.037 0.183 0.000 0.876 1520 A CB 1.140 20.292 19.000 0.253 0.000 1.170 1520 A HN 0.692 nan 8.150 nan 0.000 0.520 1521 S N 2.303 118.078 115.700 0.126 0.000 2.430 1521 S HA 0.613 5.082 4.470 -0.001 0.000 0.289 1521 S C -0.855 173.803 174.600 0.096 0.000 1.143 1521 S CA -0.215 58.045 58.200 0.100 0.000 1.067 1521 S CB -0.429 62.801 63.200 0.049 0.000 0.964 1521 S HN 0.378 nan 8.310 nan 0.000 0.485 1522 F N 3.877 123.747 119.950 -0.132 0.000 2.404 1522 F HA 0.350 4.877 4.527 -0.001 0.000 0.339 1522 F C 1.440 177.355 175.800 0.191 0.000 1.105 1522 F CA -0.731 57.289 58.000 0.033 0.000 1.087 1522 F CB 0.931 39.905 39.000 -0.043 0.000 1.143 1522 F HN 0.750 nan 8.300 nan 0.000 0.491 1523 H N 3.247 122.467 119.070 0.251 0.000 2.252 1523 H HA -0.109 4.446 4.556 -0.001 0.000 0.292 1523 H C 1.458 176.943 175.328 0.263 0.000 1.082 1523 H CA 1.449 57.614 56.048 0.195 0.000 1.229 1523 H CB -0.619 29.287 29.762 0.240 0.000 1.353 1523 H HN 0.777 nan 8.280 nan 0.000 0.488 1524 G N 0.021 109.064 108.800 0.404 0.000 2.172 1524 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.244 1524 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.244 1524 G C 0.729 175.667 174.900 0.064 0.000 0.743 1524 G CA 0.881 46.194 45.100 0.354 0.000 1.146 1524 G HN 0.818 nan 8.290 nan 0.000 0.327 1525 T N -1.032 113.490 114.554 -0.054 0.000 3.188 1525 T HA 0.453 4.802 4.350 -0.001 0.000 0.250 1525 T C 1.454 176.196 174.700 0.069 0.000 1.077 1525 T CA 0.976 63.025 62.100 -0.085 0.000 0.967 1525 T CB 0.452 69.240 68.868 -0.133 0.000 1.006 1525 T HN 2.041 nan 8.240 nan 0.000 0.552 1526 S N 0.675 116.391 115.700 0.027 0.000 3.228 1526 S HA -0.212 4.257 4.470 -0.001 0.000 0.282 1526 S C 0.571 175.192 174.600 0.034 0.000 1.286 1526 S CA 1.206 59.416 58.200 0.016 0.000 1.066 1526 S CB -2.213 61.021 63.200 0.056 0.000 1.277 1526 S HN 1.208 nan 8.310 nan 0.000 0.661 1527 T N -1.559 113.031 114.554 0.061 0.000 2.862 1527 T HA 0.688 5.038 4.350 -0.001 0.000 0.276 1527 T C 1.537 176.241 174.700 0.006 0.000 0.974 1527 T CA -0.167 61.971 62.100 0.063 0.000 0.966 1527 T CB 1.304 70.243 68.868 0.118 0.000 1.072 1527 T HN 0.385 nan 8.240 nan 0.000 0.538 1528 V N 1.326 121.241 119.914 0.002 0.000 2.255 1528 V HA 0.067 4.187 4.120 -0.001 0.000 0.243 1528 V C 3.154 179.232 176.094 -0.027 0.000 1.038 1528 V CA 1.830 64.117 62.300 -0.022 0.000 1.008 1528 V CB -1.748 30.065 31.823 -0.017 0.000 0.645 1528 V HN 1.037 nan 8.190 nan 0.000 0.449 1529 A N 0.567 123.376 122.820 -0.018 0.000 1.903 1529 A HA -0.164 4.156 4.320 -0.001 0.000 0.213 1529 A C 2.084 179.641 177.584 -0.046 0.000 1.185 1529 A CA 1.666 53.685 52.037 -0.030 0.000 0.628 1529 A CB -0.908 18.073 19.000 -0.031 0.000 0.830 1529 A HN 0.632 nan 8.150 nan 0.000 0.446 1530 N N 0.328 119.003 118.700 -0.043 0.000 2.137 1530 N HA -0.200 4.540 4.740 -0.001 0.000 0.190 1530 N C 1.050 176.546 175.510 -0.024 0.000 1.017 1530 N CA 2.016 55.025 53.050 -0.068 0.000 0.859 1530 N CB -0.150 38.342 38.487 0.008 0.000 1.002 1530 N HN 0.436 nan 8.380 nan 0.000 0.428 1531 D N -0.202 120.200 120.400 0.004 0.000 2.162 1531 D HA -0.117 4.522 4.640 -0.001 0.000 0.203 1531 D C 1.577 177.880 176.300 0.005 0.000 0.967 1531 D CA 0.670 54.689 54.000 0.032 0.000 0.840 1531 D CB -0.217 40.531 40.800 -0.087 0.000 0.972 1531 D HN 0.450 nan 8.370 nan 0.000 0.482 1532 K N 0.787 121.164 120.400 -0.038 0.000 2.211 1532 K HA -0.141 4.179 4.320 -0.001 0.000 0.203 1532 K C 1.710 178.378 176.600 0.112 0.000 1.050 1532 K CA 0.917 57.190 56.287 -0.024 0.000 0.945 1532 K CB 0.167 32.663 32.500 -0.007 0.000 0.732 1532 K HN -0.098 nan 8.250 nan 0.000 0.451 1533 N N 0.733 119.464 118.700 0.052 0.000 2.278 1533 N HA -0.089 4.650 4.740 -0.001 0.000 0.181 1533 N C 1.488 177.036 175.510 0.062 0.000 1.023 1533 N CA 0.976 54.042 53.050 0.026 0.000 0.862 1533 N CB 0.150 38.556 38.487 -0.135 0.000 1.003 1533 N HN 0.173 nan 8.380 nan 0.000 0.431 1534 E N 0.029 120.245 120.200 0.027 0.000 2.033 1534 E HA -0.193 4.156 4.350 -0.001 0.000 0.199 1534 E C 1.822 178.699 176.600 0.461 0.000 1.011 1534 E CA 1.560 58.080 56.400 0.199 0.000 0.815 1534 E CB -0.167 29.768 29.700 0.391 0.000 0.755 1534 E HN 0.351 nan 8.360 nan 0.000 0.451 1535 S N 0.878 116.976 115.700 0.664 0.000 2.365 1535 S HA -0.218 4.251 4.470 -0.001 0.000 0.225 1535 S C 1.640 176.705 174.600 0.775 0.000 1.039 1535 S CA 1.465 60.149 58.200 0.806 0.000 1.033 1535 S CB -0.434 62.962 63.200 0.326 0.000 0.887 1535 S HN 0.321 nan 8.310 nan 0.000 0.447 1536 D N 1.192 122.056 120.400 0.774 0.000 2.106 1536 D HA -0.113 4.526 4.640 -0.001 0.000 0.191 1536 D C 1.979 178.378 176.300 0.165 0.000 0.997 1536 D CA 1.260 55.495 54.000 0.391 0.000 0.834 1536 D CB -0.477 40.487 40.800 0.274 0.000 0.956 1536 D HN 0.210 nan 8.370 nan 0.000 0.448 1537 V N 1.222 121.240 119.914 0.174 0.000 2.233 1537 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 1537 V C 2.803 178.943 176.094 0.077 0.000 1.050 1537 V CA 1.518 63.886 62.300 0.113 0.000 1.010 1537 V CB -0.447 31.488 31.823 0.186 0.000 0.637 1537 V HN 0.294 nan 8.190 nan 0.000 0.444 1538 I N -0.960 119.676 120.570 0.110 0.000 2.335 1538 I HA -0.327 3.843 4.170 -0.001 0.000 0.251 1538 I C 2.555 178.710 176.117 0.064 0.000 1.129 1538 I CA 1.463 62.799 61.300 0.059 0.000 1.402 1538 I CB -0.219 37.802 38.000 0.036 0.000 1.069 1538 I HN 0.488 nan 8.210 nan 0.000 0.424 1539 C N 0.454 119.819 119.300 0.107 0.000 2.548 1539 C HA -0.178 4.281 4.460 -0.001 0.000 0.284 1539 C C 2.810 177.684 174.990 -0.194 0.000 1.252 1539 C CA 0.985 59.992 59.018 -0.019 0.000 1.725 1539 C CB -0.960 26.764 27.740 -0.026 0.000 2.098 1539 C HN 0.480 nan 8.230 nan 0.000 0.471 1540 Q N -0.123 119.586 119.800 -0.152 0.000 2.118 1540 Q HA -0.335 4.005 4.340 -0.001 0.000 0.211 1540 Q C 2.207 178.133 176.000 -0.123 0.000 0.998 1540 Q CA 2.246 57.960 55.803 -0.149 0.000 0.872 1540 Q CB -0.421 28.256 28.738 -0.103 0.000 0.925 1540 Q HN 0.747 nan 8.270 nan 0.000 0.414 1541 Q N 0.282 120.028 119.800 -0.089 0.000 1.985 1541 Q HA -0.198 4.141 4.340 -0.001 0.000 0.207 1541 Q C 2.331 178.270 176.000 -0.100 0.000 0.996 1541 Q CA 1.486 57.249 55.803 -0.066 0.000 0.851 1541 Q CB -0.340 28.363 28.738 -0.059 0.000 0.921 1541 Q HN 0.411 nan 8.270 nan 0.000 0.418 1542 L N 0.787 121.917 121.223 -0.155 0.000 2.013 1542 L HA -0.285 4.055 4.340 -0.001 0.000 0.212 1542 L C 2.693 179.370 176.870 -0.321 0.000 1.073 1542 L CA 1.680 56.401 54.840 -0.199 0.000 0.753 1542 L CB -0.646 41.301 42.059 -0.185 0.000 0.890 1542 L HN 0.316 nan 8.230 nan 0.000 0.432 1543 K N 0.086 120.157 120.400 -0.549 0.000 1.991 1543 K HA -0.293 4.026 4.320 -0.001 0.000 0.212 1543 K C 2.082 178.591 176.600 -0.150 0.000 1.049 1543 K CA 2.100 58.106 56.287 -0.468 0.000 0.932 1543 K CB -0.347 31.878 32.500 -0.459 0.000 0.717 1543 K HN 0.306 nan 8.250 nan 0.000 0.441 1544 H N 0.094 119.060 119.070 -0.174 0.000 2.567 1544 H HA 0.074 4.630 4.556 -0.001 0.000 0.276 1544 H C 1.370 176.650 175.328 -0.080 0.000 1.016 1544 H CA 0.616 56.601 56.048 -0.104 0.000 1.186 1544 H CB 0.088 29.795 29.762 -0.093 0.000 1.351 1544 H HN 0.219 nan 8.280 nan 0.000 0.605 1545 L N -1.596 119.555 121.223 -0.120 0.000 2.513 1545 L HA 0.252 4.591 4.340 -0.001 0.000 0.222 1545 L C 1.508 178.311 176.870 -0.112 0.000 1.096 1545 L CA 0.724 55.486 54.840 -0.130 0.000 0.857 1545 L CB 0.456 42.471 42.059 -0.073 0.000 1.026 1545 L HN 0.601 nan 8.230 nan 0.000 0.469 1546 G N 0.681 109.429 108.800 -0.086 0.000 2.175 1546 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.182 1546 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.182 1546 G C 0.293 175.213 174.900 0.033 0.000 1.003 1546 G CA -0.265 44.815 45.100 -0.033 0.000 0.666 1546 G HN 0.223 nan 8.290 nan 0.000 0.506 1547 R N 1.790 122.319 120.500 0.048 0.000 2.486 1547 R HA 0.255 4.595 4.340 -0.001 0.000 0.304 1547 R C 0.611 177.010 176.300 0.165 0.000 0.913 1547 R CA 1.066 57.239 56.100 0.120 0.000 1.124 1547 R CB -0.325 30.093 30.300 0.196 0.000 0.891 1547 R HN 0.134 nan 8.270 nan 0.000 0.410 1548 T N 6.304 120.901 114.554 0.072 0.000 2.831 1548 T HA -0.050 4.300 4.350 -0.001 0.000 0.291 1548 T C 0.230 174.884 174.700 -0.077 0.000 0.981 1548 T CA 0.175 62.308 62.100 0.056 0.000 1.174 1548 T CB 0.136 69.102 68.868 0.164 0.000 0.929 1548 T HN 0.435 nan 8.240 nan 0.000 0.532 1549 K N 2.218 122.598 120.400 -0.035 0.000 2.447 1549 K HA 0.281 4.600 4.320 -0.001 0.000 0.281 1549 K C 1.320 177.807 176.600 -0.188 0.000 1.031 1549 K CA 0.869 57.044 56.287 -0.186 0.000 1.019 1549 K CB -0.137 32.314 32.500 -0.082 0.000 0.918 1549 K HN 0.855 nan 8.250 nan 0.000 0.476 1550 G N 2.915 111.533 108.800 -0.303 0.000 2.238 1550 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 1550 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 1550 G C -0.167 174.605 174.900 -0.213 0.000 0.996 1550 G CA -0.037 44.996 45.100 -0.112 0.000 0.632 1550 G HN 0.659 nan 8.290 nan 0.000 0.503 1551 N N 1.665 119.967 118.700 -0.664 0.000 2.521 1551 N HA 0.650 5.389 4.740 -0.001 0.000 0.236 1551 N C 0.383 175.716 175.510 -0.294 0.000 1.067 1551 N CA 0.792 53.295 53.050 -0.913 0.000 0.939 1551 N CB 0.471 37.954 38.487 -1.674 0.000 1.201 1551 N HN 0.787 nan 8.380 nan 0.000 0.511 1552 A N 2.257 125.106 122.820 0.048 0.000 2.264 1552 A HA 0.603 4.923 4.320 -0.001 0.000 0.304 1552 A C -0.215 177.432 177.584 0.104 0.000 1.100 1552 A CA -0.658 51.409 52.037 0.050 0.000 0.839 1552 A CB 0.621 19.581 19.000 -0.067 0.000 1.121 1552 A HN 0.528 nan 8.150 nan 0.000 0.496 1553 V N -0.354 119.602 119.914 0.070 0.000 2.435 1553 V HA 0.508 4.627 4.120 -0.001 0.000 0.290 1553 V C -0.009 176.101 176.094 0.027 0.000 1.030 1553 V CA -0.824 61.526 62.300 0.084 0.000 0.881 1553 V CB 0.863 32.755 31.823 0.115 0.000 0.983 1553 V HN 0.696 nan 8.190 nan 0.000 0.445 1554 L N 4.593 125.847 121.223 0.051 0.000 2.477 1554 L HA 0.399 4.739 4.340 -0.001 0.000 0.272 1554 L C 1.039 177.892 176.870 -0.028 0.000 1.157 1554 L CA 0.552 55.395 54.840 0.004 0.000 0.889 1554 L CB 0.571 42.653 42.059 0.037 0.000 1.158 1554 L HN 1.002 nan 8.230 nan 0.000 0.473 1555 G N 5.308 114.025 108.800 -0.138 0.000 2.319 1555 G HA2 0.497 4.456 3.960 -0.001 0.000 0.308 1555 G HA3 0.497 4.456 3.960 -0.001 0.000 0.308 1555 G C -0.394 174.270 174.900 -0.393 0.000 1.117 1555 G CA -0.495 44.421 45.100 -0.305 0.000 0.903 1555 G HN 0.303 nan 8.290 nan 0.000 0.436 1556 I N 2.022 122.362 120.570 -0.383 0.000 2.392 1556 I HA 0.459 4.628 4.170 -0.001 0.000 0.295 1556 I C -0.787 175.030 176.117 -0.500 0.000 0.985 1556 I CA -1.643 59.505 61.300 -0.252 0.000 1.221 1556 I CB 1.275 39.255 38.000 -0.034 0.000 1.366 1556 I HN 0.342 nan 8.210 nan 0.000 0.467 1557 F N 4.389 124.463 119.950 0.206 0.000 2.686 1557 F HA 0.309 4.836 4.527 -0.000 0.000 0.365 1557 F C 1.277 177.205 175.800 0.215 0.000 1.196 1557 F CA -0.472 57.654 58.000 0.211 0.000 1.198 1557 F CB 0.677 39.782 39.000 0.175 0.000 1.454 1557 F HN 0.487 nan 8.300 nan 0.000 0.539 1558 Q N 1.263 121.202 119.800 0.232 0.000 2.500 1558 Q HA -0.098 4.242 4.340 -0.001 0.000 0.213 1558 Q C 1.603 177.616 176.000 0.022 0.000 0.974 1558 Q CA 0.961 56.808 55.803 0.073 0.000 0.918 1558 Q CB 0.297 29.090 28.738 0.090 0.000 0.980 1558 Q HN 0.332 nan 8.270 nan 0.000 0.505 1559 K N -0.116 120.367 120.400 0.138 0.000 2.288 1559 K HA -0.146 4.173 4.320 -0.001 0.000 0.201 1559 K C 1.741 178.417 176.600 0.126 0.000 1.048 1559 K CA 0.859 57.217 56.287 0.118 0.000 0.956 1559 K CB -0.377 32.177 32.500 0.090 0.000 0.746 1559 K HN 0.498 nan 8.250 nan 0.000 0.461 1560 Y N -0.561 119.818 120.300 0.132 0.000 2.274 1560 Y HA -0.077 4.472 4.550 -0.001 0.000 0.290 1560 Y C 1.869 177.845 175.900 0.126 0.000 1.145 1560 Y CA 0.929 59.088 58.100 0.098 0.000 1.203 1560 Y CB -0.595 37.904 38.460 0.065 0.000 0.984 1560 Y HN -0.072 nan 8.280 nan 0.000 0.533 1561 L N 0.174 121.083 121.223 -0.524 0.000 2.221 1561 L HA -0.017 4.323 4.340 -0.001 0.000 0.202 1561 L C 2.115 179.082 176.870 0.162 0.000 1.074 1561 L CA 1.681 56.329 54.840 -0.321 0.000 0.795 1561 L CB -0.235 41.365 42.059 -0.765 0.000 0.960 1561 L HN 0.551 nan 8.230 nan 0.000 0.458 1562 T N -3.892 110.737 114.554 0.125 0.000 3.023 1562 T HA 0.355 4.704 4.350 -0.001 0.000 0.253 1562 T C 1.033 175.918 174.700 0.308 0.000 1.038 1562 T CA 0.380 62.648 62.100 0.280 0.000 0.962 1562 T CB 0.503 69.557 68.868 0.309 0.000 1.018 1562 T HN 0.484 nan 8.240 nan 0.000 0.521 1563 G N 1.510 110.447 108.800 0.228 0.000 2.645 1563 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.239 1563 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.239 1563 G C -0.672 174.378 174.900 0.251 0.000 1.331 1563 G CA -0.034 45.200 45.100 0.223 0.000 0.890 1563 G HN 0.919 nan 8.290 nan 0.000 0.572 1564 H N 1.519 120.638 119.070 0.082 0.000 2.866 1564 H HA 0.566 5.121 4.556 -0.001 0.000 0.287 1564 H C -2.455 172.805 175.328 -0.114 0.000 1.106 1564 H CA -2.469 53.533 56.048 -0.076 0.000 1.396 1564 H CB 1.323 30.927 29.762 -0.264 0.000 1.469 1564 H HN 0.254 nan 8.280 nan 0.000 0.500 1565 P HA 0.081 nan 4.420 nan 0.000 0.263 1565 P C 0.617 177.931 177.300 0.024 0.000 1.601 1565 P CA -0.116 62.927 63.100 -0.095 0.000 1.161 1565 P CB 0.173 31.475 31.700 -0.664 0.000 1.730 1566 K N 1.825 122.182 120.400 -0.072 0.000 2.413 1566 K HA -0.312 4.007 4.320 -0.001 0.000 0.205 1566 K C 1.896 178.534 176.600 0.062 0.000 0.830 1566 K CA 2.470 58.667 56.287 -0.150 0.000 0.991 1566 K CB -1.495 31.016 32.500 0.018 0.000 1.171 1566 K HN 0.523 nan 8.250 nan 0.000 0.553 1567 G N -0.997 107.806 108.800 0.005 0.000 2.724 1567 G HA2 0.242 4.201 3.960 -0.001 0.000 0.205 1567 G HA3 0.242 4.201 3.960 -0.001 0.000 0.205 1567 G C 0.821 175.656 174.900 -0.108 0.000 1.112 1567 G CA 0.306 45.384 45.100 -0.037 0.000 0.793 1567 G HN 0.404 nan 8.290 nan 0.000 0.526 1568 A N 0.953 123.662 122.820 -0.185 0.000 2.840 1568 A HA 0.730 5.049 4.320 -0.001 0.000 0.269 1568 A C 1.917 179.217 177.584 -0.473 0.000 1.439 1568 A CA 0.887 52.749 52.037 -0.291 0.000 1.083 1568 A CB -0.512 18.303 19.000 -0.307 0.000 1.019 1568 A HN 0.473 nan 8.150 nan 0.000 0.607 1569 A N 0.370 123.030 122.820 -0.267 0.000 1.825 1569 A HA 0.184 4.503 4.320 -0.001 0.000 0.214 1569 A C 2.311 179.823 177.584 -0.119 0.000 1.206 1569 A CA 1.584 53.479 52.037 -0.238 0.000 0.609 1569 A CB -1.348 17.583 19.000 -0.114 0.000 0.851 1569 A HN 0.863 nan 8.150 nan 0.000 0.445 1570 G N -0.496 108.274 108.800 -0.049 0.000 2.475 1570 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.220 1570 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.220 1570 G C 1.672 176.595 174.900 0.038 0.000 1.125 1570 G CA 1.663 46.765 45.100 0.004 0.000 0.755 1570 G HN 0.862 nan 8.290 nan 0.000 0.565 1571 A N 0.188 123.015 122.820 0.011 0.000 1.908 1571 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 1571 A C 2.181 179.914 177.584 0.249 0.000 1.181 1571 A CA 1.688 53.783 52.037 0.097 0.000 0.627 1571 A CB -0.565 18.486 19.000 0.085 0.000 0.818 1571 A HN 0.465 nan 8.150 nan 0.000 0.445 1572 W N -0.478 120.835 121.300 0.022 0.000 2.409 1572 W HA 0.023 4.682 4.660 -0.001 0.000 0.299 1572 W C 2.421 178.940 176.519 -0.001 0.000 1.203 1572 W CA 0.862 58.216 57.345 0.016 0.000 1.298 1572 W CB -1.092 28.384 29.460 0.026 0.000 1.127 1572 W HN 0.300 nan 8.180 nan 0.000 0.528 1573 M N -0.570 119.168 119.600 0.229 0.000 2.175 1573 M HA -0.163 4.316 4.480 -0.001 0.000 0.264 1573 M C 2.146 178.464 176.300 0.031 0.000 1.063 1573 M CA 1.286 56.657 55.300 0.118 0.000 1.119 1573 M CB -0.938 31.724 32.600 0.103 0.000 1.377 1573 M HN -0.115 nan 8.290 nan 0.000 0.415 1574 L N 1.012 122.264 121.223 0.048 0.000 2.083 1574 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 1574 L C 1.882 178.707 176.870 -0.075 0.000 1.083 1574 L CA 1.794 56.640 54.840 0.009 0.000 0.752 1574 L CB -0.589 41.510 42.059 0.067 0.000 0.899 1574 L HN 0.255 nan 8.230 nan 0.000 0.433 1575 N N -0.188 118.496 118.700 -0.027 0.000 2.188 1575 N HA -0.105 4.634 4.740 -0.001 0.000 0.184 1575 N C 1.814 177.239 175.510 -0.142 0.000 1.018 1575 N CA 1.257 54.255 53.050 -0.087 0.000 0.858 1575 N CB -0.960 37.508 38.487 -0.032 0.000 0.989 1575 N HN 0.450 nan 8.380 nan 0.000 0.426 1576 G N 0.509 109.265 108.800 -0.072 0.000 2.459 1576 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 1576 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 1576 G C 1.759 176.539 174.900 -0.199 0.000 1.183 1576 G CA 1.175 46.251 45.100 -0.040 0.000 0.776 1576 G HN 0.386 nan 8.290 nan 0.000 0.552 1577 C N 0.476 119.552 119.300 -0.375 0.000 2.462 1577 C HA 0.079 4.539 4.460 -0.001 0.000 0.278 1577 C C 2.871 177.500 174.990 -0.601 0.000 1.253 1577 C CA 0.506 59.087 59.018 -0.728 0.000 1.713 1577 C CB -1.208 25.473 27.740 -1.766 0.000 2.049 1577 C HN 0.418 nan 8.230 nan 0.000 0.477 1578 L N 0.479 121.430 121.223 -0.453 0.000 2.189 1578 L HA -0.273 4.067 4.340 -0.001 0.000 0.214 1578 L C 2.597 179.340 176.870 -0.212 0.000 1.097 1578 L CA 1.610 56.331 54.840 -0.200 0.000 0.764 1578 L CB -0.871 41.135 42.059 -0.087 0.000 0.900 1578 L HN 0.553 nan 8.230 nan 0.000 0.436 1579 Q N -0.788 118.776 119.800 -0.393 0.000 2.123 1579 Q HA -0.096 4.244 4.340 -0.001 0.000 0.196 1579 Q C 2.400 178.018 176.000 -0.637 0.000 0.958 1579 Q CA 0.855 56.241 55.803 -0.696 0.000 0.841 1579 Q CB 0.137 28.111 28.738 -1.274 0.000 0.915 1579 Q HN 0.273 nan 8.270 nan 0.000 0.455 1580 V N 1.059 120.727 119.914 -0.409 0.000 2.343 1580 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 1580 V C 2.184 178.247 176.094 -0.052 0.000 1.051 1580 V CA 1.490 63.729 62.300 -0.101 0.000 1.036 1580 V CB -0.503 31.313 31.823 -0.012 0.000 0.654 1580 V HN 0.421 nan 8.190 nan 0.000 0.451 1581 L N 0.226 121.391 121.223 -0.097 0.000 2.043 1581 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 1581 L C 2.129 178.963 176.870 -0.059 0.000 1.075 1581 L CA 2.002 56.818 54.840 -0.039 0.000 0.752 1581 L CB -0.560 41.444 42.059 -0.091 0.000 0.891 1581 L HN 0.485 nan 8.230 nan 0.000 0.432 1582 N N -1.137 117.504 118.700 -0.099 0.000 2.313 1582 N HA -0.047 4.692 4.740 -0.001 0.000 0.207 1582 N C 0.961 176.486 175.510 0.025 0.000 1.141 1582 N CA 0.929 53.950 53.050 -0.049 0.000 0.830 1582 N CB 0.401 38.838 38.487 -0.084 0.000 1.008 1582 N HN 0.443 nan 8.380 nan 0.000 0.481 1583 T N -5.950 108.641 114.554 0.061 0.000 3.100 1583 T HA 0.222 4.572 4.350 -0.001 0.000 0.255 1583 T C 1.215 176.013 174.700 0.164 0.000 0.893 1583 T CA 0.791 62.976 62.100 0.140 0.000 0.882 1583 T CB 0.258 69.258 68.868 0.220 0.000 1.266 1583 T HN 0.018 nan 8.240 nan 0.000 0.528 1584 G N 2.144 111.034 108.800 0.149 0.000 2.184 1584 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.264 1584 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.264 1584 G C 0.045 174.994 174.900 0.082 0.000 0.975 1584 G CA 0.266 45.449 45.100 0.138 0.000 0.642 1584 G HN 0.752 nan 8.290 nan 0.000 0.536 1585 I N 1.565 122.215 120.570 0.134 0.000 2.291 1585 I HA 0.337 4.506 4.170 -0.001 0.000 0.292 1585 I C 0.419 176.613 176.117 0.128 0.000 1.064 1585 I CA -0.737 60.615 61.300 0.088 0.000 1.269 1585 I CB 1.395 39.483 38.000 0.146 0.000 1.418 1585 I HN -0.141 nan 8.210 nan 0.000 0.485 1586 V N 9.036 128.960 119.914 0.017 0.000 2.368 1586 V HA 0.232 4.351 4.120 -0.001 0.000 0.266 1586 V C -2.151 173.934 176.094 -0.015 0.000 1.045 1586 V CA -1.716 60.603 62.300 0.033 0.000 0.899 1586 V CB 0.748 32.572 31.823 0.002 0.000 1.006 1586 V HN 0.559 nan 8.190 nan 0.000 0.470 1587 P HA 0.250 nan 4.420 nan 0.000 0.276 1587 P C 0.534 177.835 177.300 0.001 0.000 1.243 1587 P CA 0.250 63.307 63.100 -0.071 0.000 0.768 1587 P CB 0.911 32.553 31.700 -0.098 0.000 0.856 1588 G N 2.496 111.273 108.800 -0.038 0.000 2.611 1588 G HA2 0.133 4.092 3.960 -0.001 0.000 0.273 1588 G HA3 0.133 4.092 3.960 -0.001 0.000 0.273 1588 G C -0.326 174.571 174.900 -0.005 0.000 1.305 1588 G CA -0.210 44.878 45.100 -0.020 0.000 1.010 1588 G HN 0.547 nan 8.290 nan 0.000 0.509 1589 N N -1.159 117.471 118.700 -0.116 0.000 2.626 1589 N HA 0.164 4.904 4.740 -0.001 0.000 0.249 1589 N C 1.246 176.372 175.510 -0.639 0.000 1.021 1589 N CA -0.661 52.139 53.050 -0.416 0.000 0.886 1589 N CB 1.048 39.540 38.487 0.008 0.000 1.149 1589 N HN 0.464 nan 8.380 nan 0.000 0.517 1590 R N 2.328 122.223 120.500 -1.009 0.000 2.115 1590 R HA -0.000 4.339 4.340 -0.001 0.000 0.230 1590 R C 0.407 176.467 176.300 -0.399 0.000 1.111 1590 R CA 1.158 56.932 56.100 -0.542 0.000 0.976 1590 R CB -0.182 29.893 30.300 -0.376 0.000 0.870 1590 R HN 0.601 nan 8.270 nan 0.000 0.445 1591 N N 0.868 119.297 118.700 -0.451 0.000 2.370 1591 N HA 0.066 4.806 4.740 -0.001 0.000 0.198 1591 N C 0.059 175.463 175.510 -0.175 0.000 1.156 1591 N CA -0.251 52.674 53.050 -0.209 0.000 0.839 1591 N CB 0.525 38.966 38.487 -0.077 0.000 0.989 1591 N HN 0.155 nan 8.380 nan 0.000 0.468 1592 A N 0.823 123.525 122.820 -0.198 0.000 2.810 1592 A HA -0.019 4.300 4.320 -0.001 0.000 0.247 1592 A C 0.944 178.504 177.584 -0.040 0.000 1.576 1592 A CA -0.158 51.815 52.037 -0.106 0.000 1.294 1592 A CB -0.351 18.640 19.000 -0.015 0.000 0.976 1592 A HN 0.153 nan 8.150 nan 0.000 0.631 1593 D N 1.023 121.367 120.400 -0.093 0.000 3.134 1593 D HA -0.271 4.369 4.640 -0.001 0.000 0.482 1593 D C 0.580 176.853 176.300 -0.045 0.000 1.049 1593 D CA 2.457 56.401 54.000 -0.094 0.000 1.379 1593 D CB -0.036 40.764 40.800 -0.001 0.000 0.865 1593 D HN 0.732 nan 8.370 nan 0.000 0.499 1594 N N -1.428 117.302 118.700 0.049 0.000 2.752 1594 N HA 0.210 4.949 4.740 -0.001 0.000 0.268 1594 N C -1.741 173.737 175.510 -0.054 0.000 1.190 1594 N CA -0.382 52.734 53.050 0.111 0.000 0.897 1594 N CB 1.262 39.860 38.487 0.186 0.000 1.515 1594 N HN -0.099 nan 8.380 nan 0.000 0.567 1595 V N 2.004 121.775 119.914 -0.238 0.000 2.599 1595 V HA 0.043 4.162 4.120 -0.001 0.000 0.300 1595 V C 0.762 176.752 176.094 -0.172 0.000 1.034 1595 V CA -0.040 62.055 62.300 -0.341 0.000 1.115 1595 V CB 0.497 31.958 31.823 -0.604 0.000 0.934 1595 V HN 0.696 nan 8.190 nan 0.000 0.485 1596 D N 4.402 124.708 120.400 -0.157 0.000 2.533 1596 D HA -0.042 4.597 4.640 -0.001 0.000 0.236 1596 D C 1.247 177.584 176.300 0.062 0.000 1.137 1596 D CA 0.161 54.125 54.000 -0.060 0.000 0.867 1596 D CB 0.754 41.481 40.800 -0.122 0.000 1.170 1596 D HN 0.426 nan 8.370 nan 0.000 0.474 1597 K N 2.778 123.242 120.400 0.106 0.000 2.286 1597 K HA -0.092 4.228 4.320 -0.001 0.000 0.203 1597 K C 1.782 178.373 176.600 -0.016 0.000 1.045 1597 K CA 0.559 56.915 56.287 0.115 0.000 0.935 1597 K CB -0.137 32.407 32.500 0.074 0.000 0.737 1597 K HN 0.363 nan 8.250 nan 0.000 0.460 1598 V N 1.268 121.168 119.914 -0.024 0.000 2.594 1598 V HA -0.216 3.903 4.120 -0.001 0.000 0.253 1598 V C 2.173 178.224 176.094 -0.072 0.000 1.069 1598 V CA 1.255 63.536 62.300 -0.031 0.000 1.082 1598 V CB -0.451 31.352 31.823 -0.034 0.000 0.680 1598 V HN 0.284 nan 8.190 nan 0.000 0.469 1599 M N -0.341 119.167 119.600 -0.154 0.000 2.630 1599 M HA -0.057 4.422 4.480 -0.001 0.000 0.254 1599 M C 2.021 178.297 176.300 -0.041 0.000 1.092 1599 M CA 0.987 56.136 55.300 -0.253 0.000 1.087 1599 M CB -1.068 31.384 32.600 -0.246 0.000 1.453 1599 M HN 0.555 nan 8.290 nan 0.000 0.509 1600 E N 1.133 121.126 120.200 -0.346 0.000 2.106 1600 E HA -0.204 4.145 4.350 -0.001 0.000 0.192 1600 E C 1.687 178.164 176.600 -0.205 0.000 0.984 1600 E CA 1.041 56.953 56.400 -0.813 0.000 0.806 1600 E CB 0.071 28.987 29.700 -1.306 0.000 0.750 1600 E HN 0.586 nan 8.360 nan 0.000 0.458 1601 Q N -0.435 119.411 119.800 0.076 0.000 2.308 1601 Q HA -0.148 4.191 4.340 -0.001 0.000 0.209 1601 Q C 0.060 176.175 176.000 0.192 0.000 0.985 1601 Q CA 0.769 56.661 55.803 0.149 0.000 0.881 1601 Q CB -0.244 28.605 28.738 0.185 0.000 0.917 1601 Q HN 0.340 nan 8.270 nan 0.000 0.443 1602 F N 1.649 121.605 119.950 0.011 0.000 2.425 1602 F HA 0.108 4.634 4.527 -0.001 0.000 0.354 1602 F C 0.757 176.610 175.800 0.088 0.000 1.162 1602 F CA -1.089 56.972 58.000 0.102 0.000 1.250 1602 F CB 0.449 39.550 39.000 0.167 0.000 1.579 1602 F HN -0.050 nan 8.300 nan 0.000 0.589 1603 D N 1.211 121.732 120.400 0.202 0.000 2.133 1603 D HA -0.278 4.362 4.640 -0.001 0.000 0.192 1603 D C 1.609 177.898 176.300 -0.020 0.000 1.001 1603 D CA 2.052 56.067 54.000 0.025 0.000 0.844 1603 D CB -0.259 40.466 40.800 -0.125 0.000 0.944 1603 D HN 0.541 nan 8.370 nan 0.000 0.447 1604 Y N 0.369 120.676 120.300 0.012 0.000 2.583 1604 Y HA 0.154 4.703 4.550 -0.001 0.000 0.293 1604 Y C 1.163 177.052 175.900 -0.019 0.000 1.157 1604 Y CA -0.207 57.888 58.100 -0.008 0.000 1.315 1604 Y CB 0.138 38.599 38.460 0.003 0.000 1.021 1604 Y HN -0.131 nan 8.280 nan 0.000 0.536 1605 I N 0.019 120.643 120.570 0.091 0.000 2.441 1605 I HA 0.427 4.596 4.170 -0.001 0.000 0.295 1605 I C -0.897 174.986 176.117 -0.390 0.000 0.994 1605 I CA -1.020 60.203 61.300 -0.129 0.000 1.144 1605 I CB 2.215 40.134 38.000 -0.134 0.000 1.314 1605 I HN -0.358 nan 8.210 nan 0.000 0.445 1606 V N 6.427 126.044 119.914 -0.495 0.000 2.709 1606 V HA 0.438 4.557 4.120 -0.001 0.000 0.308 1606 V C -1.490 174.312 176.094 -0.485 0.000 1.062 1606 V CA -0.442 61.567 62.300 -0.484 0.000 0.901 1606 V CB 2.276 33.889 31.823 -0.350 0.000 1.003 1606 V HN 0.487 nan 8.190 nan 0.000 0.425 1607 Y N 6.173 126.439 120.300 -0.057 0.000 2.587 1607 Y HA 0.502 5.052 4.550 -0.001 0.000 0.328 1607 Y C -2.282 173.646 175.900 0.046 0.000 0.980 1607 Y CA -3.008 55.096 58.100 0.007 0.000 1.272 1607 Y CB 0.976 39.405 38.460 -0.052 0.000 1.094 1607 Y HN 0.462 nan 8.280 nan 0.000 0.503 1608 P HA 0.095 nan 4.420 nan 0.000 0.276 1608 P C 0.354 177.742 177.300 0.147 0.000 1.235 1608 P CA -0.176 63.012 63.100 0.147 0.000 0.772 1608 P CB 1.188 32.930 31.700 0.069 0.000 0.871 1609 S N 2.692 118.462 115.700 0.116 0.000 2.602 1609 S HA 0.294 4.763 4.470 -0.001 0.000 0.240 1609 S C 0.277 174.778 174.600 -0.166 0.000 0.992 1609 S CA -0.541 57.631 58.200 -0.046 0.000 0.971 1609 S CB -0.361 62.745 63.200 -0.157 0.000 0.855 1609 S HN 0.564 nan 8.310 nan 0.000 0.481 1610 R N -0.989 119.441 120.500 -0.117 0.000 2.634 1610 R HA 0.541 4.881 4.340 -0.001 0.000 0.263 1610 R C -1.468 174.759 176.300 -0.123 0.000 1.060 1610 R CA -0.573 55.439 56.100 -0.148 0.000 0.898 1610 R CB 0.287 30.483 30.300 -0.173 0.000 1.253 1610 R HN -0.047 nan 8.270 nan 0.000 0.461 1611 S N 1.978 117.584 115.700 -0.157 0.000 2.549 1611 S HA 0.236 4.705 4.470 -0.001 0.000 0.286 1611 S C 0.174 174.673 174.600 -0.169 0.000 1.314 1611 S CA -0.095 58.001 58.200 -0.173 0.000 1.062 1611 S CB 0.050 63.095 63.200 -0.258 0.000 0.865 1611 S HN 0.344 nan 8.310 nan 0.000 0.498 1612 I N 3.355 123.833 120.570 -0.153 0.000 2.362 1612 I HA 0.287 4.457 4.170 -0.001 0.000 0.289 1612 I C -0.160 175.814 176.117 -0.238 0.000 0.994 1612 I CA -0.925 60.267 61.300 -0.179 0.000 1.158 1612 I CB 1.544 39.452 38.000 -0.153 0.000 1.315 1612 I HN 0.324 nan 8.210 nan 0.000 0.451 1613 K N 6.182 126.408 120.400 -0.290 0.000 2.285 1613 K HA 0.345 4.664 4.320 -0.001 0.000 0.286 1613 K C -0.157 176.215 176.600 -0.380 0.000 1.072 1613 K CA -0.231 55.860 56.287 -0.328 0.000 0.913 1613 K CB 0.589 32.827 32.500 -0.436 0.000 1.067 1613 K HN 0.723 nan 8.250 nan 0.000 0.479 1614 T N -0.018 114.371 114.554 -0.275 0.000 2.922 1614 T HA 0.290 4.640 4.350 -0.001 0.000 0.281 1614 T C 0.619 175.539 174.700 0.366 0.000 1.005 1614 T CA -0.306 61.598 62.100 -0.326 0.000 0.982 1614 T CB 0.847 69.420 68.868 -0.492 0.000 1.158 1614 T HN 0.515 nan 8.240 nan 0.000 0.566 1615 D N -0.719 120.040 120.400 0.598 0.000 2.269 1615 D HA 0.320 4.960 4.640 -0.001 0.000 0.208 1615 D C 1.094 177.607 176.300 0.354 0.000 0.963 1615 D CA 0.760 55.063 54.000 0.505 0.000 0.864 1615 D CB -0.559 40.530 40.800 0.481 0.000 0.936 1615 D HN 1.152 nan 8.370 nan 0.000 0.505 1616 G N -0.821 108.163 108.800 0.306 0.000 2.345 1616 G HA2 0.319 4.279 3.960 -0.001 0.000 0.310 1616 G HA3 0.319 4.279 3.960 -0.001 0.000 0.310 1616 G C -1.663 173.386 174.900 0.248 0.000 1.476 1616 G CA -0.827 44.428 45.100 0.259 0.000 0.978 1616 G HN 0.100 nan 8.290 nan 0.000 0.656 1617 I N 0.229 120.955 120.570 0.261 0.000 2.569 1617 I HA 0.414 4.584 4.170 -0.001 0.000 0.296 1617 I C 0.756 177.041 176.117 0.280 0.000 1.028 1617 I CA -0.970 60.475 61.300 0.242 0.000 1.082 1617 I CB 2.291 40.411 38.000 0.200 0.000 1.264 1617 I HN 0.664 nan 8.210 nan 0.000 0.429 1618 K N 3.016 123.540 120.400 0.207 0.000 2.161 1618 K HA 0.413 4.732 4.320 -0.001 0.000 0.205 1618 K C 0.426 177.037 176.600 0.019 0.000 1.035 1618 K CA 0.530 56.898 56.287 0.136 0.000 0.970 1618 K CB 0.363 32.913 32.500 0.083 0.000 0.866 1618 K HN 0.719 nan 8.250 nan 0.000 0.461 1619 A N 0.920 123.749 122.820 0.015 0.000 2.515 1619 A HA 0.666 4.985 4.320 -0.001 0.000 0.296 1619 A C -1.348 176.274 177.584 0.064 0.000 1.094 1619 A CA -0.773 51.227 52.037 -0.063 0.000 0.718 1619 A CB 0.907 19.794 19.000 -0.187 0.000 1.307 1619 A HN 0.232 nan 8.150 nan 0.000 0.408 1620 F N -0.441 119.475 119.950 -0.056 0.000 2.613 1620 F HA 0.847 5.373 4.527 -0.001 0.000 0.314 1620 F C -0.270 175.493 175.800 -0.063 0.000 1.075 1620 F CA -0.901 57.076 58.000 -0.038 0.000 0.945 1620 F CB 1.862 40.847 39.000 -0.024 0.000 1.310 1620 F HN 0.517 nan 8.300 nan 0.000 0.467 1621 S N 2.319 118.129 115.700 0.182 0.000 2.669 1621 S HA 0.520 4.990 4.470 -0.001 0.000 0.315 1621 S C -1.602 173.077 174.600 0.132 0.000 1.106 1621 S CA -0.581 57.641 58.200 0.036 0.000 1.107 1621 S CB 0.869 64.036 63.200 -0.055 0.000 0.990 1621 S HN 1.072 nan 8.310 nan 0.000 0.471 1622 V N 6.894 126.919 119.914 0.186 0.000 2.334 1622 V HA 0.704 4.823 4.120 -0.001 0.000 0.267 1622 V C 0.175 176.248 176.094 -0.036 0.000 1.040 1622 V CA 0.286 62.651 62.300 0.109 0.000 0.866 1622 V CB 0.563 32.500 31.823 0.191 0.000 1.019 1622 V HN 1.001 nan 8.190 nan 0.000 0.468 1623 T N 3.506 117.995 114.554 -0.109 0.000 2.912 1623 T HA 0.877 5.227 4.350 -0.001 0.000 0.288 1623 T C -0.290 174.308 174.700 -0.170 0.000 1.030 1623 T CA 0.046 62.025 62.100 -0.201 0.000 1.020 1623 T CB 1.885 70.598 68.868 -0.259 0.000 1.056 1623 T HN 1.318 nan 8.240 nan 0.000 0.480 1624 S N 0.931 116.416 115.700 -0.358 0.000 2.588 1624 S HA 0.802 5.271 4.470 -0.001 0.000 0.269 1624 S C -1.780 172.369 174.600 -0.753 0.000 1.157 1624 S CA -0.962 56.995 58.200 -0.404 0.000 0.824 1624 S CB 0.943 63.956 63.200 -0.313 0.000 1.126 1624 S HN 0.648 nan 8.310 nan 0.000 0.464 1625 F N -0.230 119.274 119.950 -0.744 0.000 2.654 1625 F HA 0.980 5.507 4.527 -0.000 0.000 0.334 1625 F C 0.960 176.562 175.800 -0.330 0.000 1.078 1625 F CA 0.011 57.779 58.000 -0.387 0.000 0.986 1625 F CB 2.093 40.980 39.000 -0.189 0.000 1.362 1625 F HN 1.153 nan 8.300 nan 0.000 0.498 1626 G N -0.494 108.365 108.800 0.097 0.000 2.663 1626 G HA2 0.537 4.496 3.960 -0.001 0.000 0.299 1626 G HA3 0.537 4.496 3.960 -0.001 0.000 0.299 1626 G C -2.016 172.990 174.900 0.176 0.000 1.372 1626 G CA -0.769 44.435 45.100 0.173 0.000 0.781 1626 G HN 0.240 nan 8.290 nan 0.000 0.491 1627 F N 0.656 120.669 119.950 0.105 0.000 2.450 1627 F HA 0.451 4.977 4.527 -0.001 0.000 0.339 1627 F C 1.457 177.298 175.800 0.068 0.000 1.146 1627 F CA 1.313 59.373 58.000 0.101 0.000 1.267 1627 F CB 1.199 40.267 39.000 0.114 0.000 1.178 1627 F HN 1.170 nan 8.300 nan 0.000 0.585 1628 G N 2.176 111.087 108.800 0.185 0.000 2.289 1628 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.280 1628 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.280 1628 G C 0.203 175.149 174.900 0.077 0.000 1.089 1628 G CA 0.143 45.315 45.100 0.121 0.000 0.939 1628 G HN 0.811 nan 8.290 nan 0.000 0.499 1629 Q N -2.241 117.593 119.800 0.057 0.000 2.435 1629 Q HA -0.248 4.092 4.340 -0.001 0.000 0.286 1629 Q C 0.681 176.710 176.000 0.047 0.000 1.229 1629 Q CA 1.651 57.485 55.803 0.052 0.000 0.884 1629 Q CB -0.531 28.231 28.738 0.039 0.000 1.245 1629 Q HN 0.670 nan 8.270 nan 0.000 0.488 1630 K N 0.656 121.086 120.400 0.051 0.000 2.263 1630 K HA 0.453 4.773 4.320 -0.001 0.000 0.282 1630 K C -0.054 176.519 176.600 -0.045 0.000 1.089 1630 K CA 0.245 56.538 56.287 0.009 0.000 0.907 1630 K CB 1.007 33.523 32.500 0.027 0.000 1.148 1630 K HN 0.279 nan 8.250 nan 0.000 0.470 1631 G N 1.794 110.523 108.800 -0.119 0.000 2.609 1631 G HA2 0.717 4.676 3.960 -0.001 0.000 0.308 1631 G HA3 0.717 4.676 3.960 -0.001 0.000 0.308 1631 G C -1.472 173.223 174.900 -0.342 0.000 1.369 1631 G CA -0.621 44.278 45.100 -0.335 0.000 0.958 1631 G HN 0.637 nan 8.290 nan 0.000 0.499 1632 A N 2.224 124.781 122.820 -0.439 0.000 2.422 1632 A HA 0.849 5.168 4.320 -0.001 0.000 0.302 1632 A C -0.707 176.680 177.584 -0.329 0.000 1.041 1632 A CA -0.660 51.196 52.037 -0.302 0.000 0.708 1632 A CB 2.154 21.029 19.000 -0.208 0.000 1.257 1632 A HN 0.711 nan 8.150 nan 0.000 0.414 1633 Q N 1.088 120.738 119.800 -0.250 0.000 2.372 1633 Q HA 0.737 5.076 4.340 -0.001 0.000 0.273 1633 Q C -1.154 174.735 176.000 -0.184 0.000 1.078 1633 Q CA -0.692 54.976 55.803 -0.225 0.000 0.806 1633 Q CB 2.220 30.824 28.738 -0.223 0.000 1.332 1633 Q HN 1.285 nan 8.270 nan 0.000 0.435 1634 A N 4.125 126.847 122.820 -0.164 0.000 2.401 1634 A HA 0.736 5.056 4.320 -0.001 0.000 0.310 1634 A C -1.257 176.184 177.584 -0.238 0.000 1.075 1634 A CA -0.656 51.269 52.037 -0.186 0.000 0.746 1634 A CB 1.245 20.165 19.000 -0.133 0.000 1.277 1634 A HN 0.654 nan 8.150 nan 0.000 0.425 1635 I N 1.724 122.094 120.570 -0.334 0.000 2.433 1635 I HA 0.556 4.726 4.170 -0.001 0.000 0.292 1635 I C 0.570 176.279 176.117 -0.680 0.000 1.001 1635 I CA -0.200 60.810 61.300 -0.484 0.000 1.119 1635 I CB 1.207 38.995 38.000 -0.355 0.000 1.289 1635 I HN 0.762 nan 8.210 nan 0.000 0.438 1636 G N 4.883 112.902 108.800 -1.301 0.000 2.448 1636 G HA2 0.646 4.606 3.960 -0.001 0.000 0.324 1636 G HA3 0.646 4.606 3.960 -0.001 0.000 0.324 1636 G C -1.312 173.141 174.900 -0.745 0.000 1.203 1636 G CA -0.408 43.987 45.100 -1.175 0.000 0.954 1636 G HN 0.321 nan 8.290 nan 0.000 0.480 1637 V N 2.365 122.014 119.914 -0.442 0.000 2.656 1637 V HA 0.295 4.414 4.120 -0.001 0.000 0.307 1637 V C -0.126 175.830 176.094 -0.230 0.000 1.051 1637 V CA -1.056 61.008 62.300 -0.393 0.000 0.893 1637 V CB 1.630 33.076 31.823 -0.629 0.000 0.999 1637 V HN 0.876 nan 8.190 nan 0.000 0.426 1638 H N 6.719 125.688 119.070 -0.168 0.000 3.064 1638 H HA 0.032 4.587 4.556 -0.001 0.000 0.329 1638 H C -1.781 173.549 175.328 0.004 0.000 1.020 1638 H CA -0.825 55.235 56.048 0.021 0.000 1.402 1638 H CB 1.695 31.559 29.762 0.171 0.000 1.379 1638 H HN 0.346 nan 8.280 nan 0.000 0.594 1639 P HA -0.236 nan 4.420 nan 0.000 0.216 1639 P C 1.446 178.838 177.300 0.154 0.000 1.154 1639 P CA 2.747 65.889 63.100 0.070 0.000 0.865 1639 P CB 0.073 31.890 31.700 0.195 0.000 0.789 1640 K N -0.932 119.820 120.400 0.588 0.000 2.052 1640 K HA -0.262 4.058 4.320 -0.001 0.000 0.215 1640 K C 1.822 178.535 176.600 0.189 0.000 1.053 1640 K CA 2.001 58.506 56.287 0.363 0.000 0.934 1640 K CB -1.695 30.802 32.500 -0.005 0.000 0.717 1640 K HN 0.101 nan 8.250 nan 0.000 0.450 1641 Y N 0.978 121.309 120.300 0.051 0.000 2.315 1641 Y HA -0.147 4.402 4.550 -0.001 0.000 0.288 1641 Y C 2.322 178.363 175.900 0.236 0.000 1.154 1641 Y CA 1.131 59.305 58.100 0.124 0.000 1.229 1641 Y CB -0.466 38.049 38.460 0.091 0.000 0.980 1641 Y HN 0.146 nan 8.280 nan 0.000 0.540 1642 L N -1.226 120.031 121.223 0.056 0.000 2.044 1642 L HA -0.140 4.200 4.340 -0.001 0.000 0.205 1642 L C 1.851 178.805 176.870 0.141 0.000 1.075 1642 L CA 1.631 56.544 54.840 0.123 0.000 0.747 1642 L CB -0.781 41.077 42.059 -0.335 0.000 0.903 1642 L HN 0.037 nan 8.230 nan 0.000 0.435 1643 F N 0.541 120.626 119.950 0.226 0.000 2.307 1643 F HA -0.065 4.462 4.527 -0.001 0.000 0.301 1643 F C 2.372 178.289 175.800 0.194 0.000 1.076 1643 F CA 0.700 58.822 58.000 0.203 0.000 1.383 1643 F CB -1.438 37.652 39.000 0.149 0.000 1.055 1643 F HN 0.214 nan 8.300 nan 0.000 0.526 1644 A N -1.027 121.977 122.820 0.306 0.000 2.265 1644 A HA 0.073 4.392 4.320 -0.001 0.000 0.213 1644 A C 1.818 179.532 177.584 0.217 0.000 1.255 1644 A CA 1.011 53.170 52.037 0.204 0.000 0.862 1644 A CB -1.005 18.032 19.000 0.061 0.000 0.852 1644 A HN 0.273 nan 8.150 nan 0.000 0.484 1645 T N -0.129 114.576 114.554 0.252 0.000 3.014 1645 T HA 0.298 4.647 4.350 -0.001 0.000 0.250 1645 T C 0.801 175.607 174.700 0.178 0.000 1.060 1645 T CA 0.194 62.404 62.100 0.183 0.000 1.040 1645 T CB -0.157 68.812 68.868 0.170 0.000 0.971 1645 T HN 0.382 nan 8.240 nan 0.000 0.497 1646 L N 0.327 121.692 121.223 0.236 0.000 2.874 1646 L HA 0.595 4.935 4.340 -0.001 0.000 0.229 1646 L C -0.375 176.609 176.870 0.189 0.000 1.200 1646 L CA -1.282 53.674 54.840 0.194 0.000 0.976 1646 L CB 0.362 42.548 42.059 0.212 0.000 1.887 1646 L HN -0.062 nan 8.230 nan 0.000 0.543 1647 D N -0.915 119.533 120.400 0.081 0.000 2.269 1647 D HA 0.151 4.791 4.640 -0.001 0.000 0.244 1647 D C 0.298 176.387 176.300 -0.351 0.000 0.992 1647 D CA -0.604 53.393 54.000 -0.005 0.000 0.894 1647 D CB 2.216 43.015 40.800 -0.001 0.000 1.248 1647 D HN 0.401 nan 8.370 nan 0.000 0.468 1648 K N 1.061 120.991 120.400 -0.784 0.000 2.228 1648 K HA -0.246 4.074 4.320 -0.001 0.000 0.205 1648 K C 1.518 177.802 176.600 -0.526 0.000 1.045 1648 K CA 1.435 56.919 56.287 -1.338 0.000 0.931 1648 K CB -0.006 31.772 32.500 -1.203 0.000 0.727 1648 K HN 0.458 nan 8.250 nan 0.000 0.458 1649 A N 1.394 124.052 122.820 -0.271 0.000 1.842 1649 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 1649 A C 2.083 179.606 177.584 -0.101 0.000 1.206 1649 A CA 2.024 53.981 52.037 -0.133 0.000 0.630 1649 A CB -0.804 18.159 19.000 -0.062 0.000 0.839 1649 A HN 0.560 nan 8.150 nan 0.000 0.447 1650 Q N -2.106 117.660 119.800 -0.057 0.000 1.993 1650 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 1650 Q C 2.135 178.152 176.000 0.029 0.000 0.984 1650 Q CA 1.739 57.547 55.803 0.008 0.000 0.837 1650 Q CB -0.534 28.234 28.738 0.050 0.000 0.902 1650 Q HN 0.765 nan 8.270 nan 0.000 0.423 1651 Y N 1.887 122.120 120.300 -0.112 0.000 2.102 1651 Y HA -0.309 4.240 4.550 -0.001 0.000 0.280 1651 Y C 2.036 177.899 175.900 -0.061 0.000 1.178 1651 Y CA 2.095 60.148 58.100 -0.078 0.000 1.146 1651 Y CB -0.037 38.312 38.460 -0.185 0.000 0.968 1651 Y HN 0.124 nan 8.280 nan 0.000 0.504 1652 E N -0.765 119.337 120.200 -0.164 0.000 2.427 1652 E HA -0.002 4.348 4.350 -0.001 0.000 0.196 1652 E C 1.958 178.461 176.600 -0.162 0.000 1.028 1652 E CA 0.524 56.802 56.400 -0.203 0.000 0.864 1652 E CB -0.110 29.502 29.700 -0.147 0.000 0.813 1652 E HN 0.583 nan 8.360 nan 0.000 0.514 1653 A N -0.085 122.674 122.820 -0.102 0.000 1.984 1653 A HA -0.090 4.229 4.320 -0.001 0.000 0.214 1653 A C 1.820 179.378 177.584 -0.043 0.000 1.173 1653 A CA 0.472 52.474 52.037 -0.058 0.000 0.673 1653 A CB -0.457 18.532 19.000 -0.018 0.000 0.830 1653 A HN 0.504 nan 8.150 nan 0.000 0.453 1654 Y N -0.089 120.110 120.300 -0.169 0.000 2.220 1654 Y HA -0.204 4.346 4.550 -0.001 0.000 0.291 1654 Y C 2.249 178.012 175.900 -0.229 0.000 1.129 1654 Y CA 1.517 59.520 58.100 -0.161 0.000 1.161 1654 Y CB -0.760 37.622 38.460 -0.129 0.000 0.997 1654 Y HN 0.296 nan 8.280 nan 0.000 0.522 1655 C N -0.116 118.903 119.300 -0.468 0.000 2.409 1655 C HA -0.127 4.332 4.460 -0.001 0.000 0.284 1655 C C 2.624 177.397 174.990 -0.361 0.000 1.354 1655 C CA 1.183 59.871 59.018 -0.550 0.000 1.787 1655 C CB -1.281 26.152 27.740 -0.512 0.000 1.900 1655 C HN 0.567 nan 8.230 nan 0.000 0.520 1656 V N 0.331 120.088 119.914 -0.262 0.000 2.599 1656 V HA -0.099 4.020 4.120 -0.001 0.000 0.245 1656 V C 2.325 178.323 176.094 -0.160 0.000 1.046 1656 V CA 1.369 63.566 62.300 -0.171 0.000 1.065 1656 V CB -0.502 31.253 31.823 -0.114 0.000 0.703 1656 V HN 0.524 nan 8.190 nan 0.000 0.464 1657 K N 0.309 120.597 120.400 -0.187 0.000 2.026 1657 K HA -0.125 4.195 4.320 -0.001 0.000 0.208 1657 K C 2.162 178.665 176.600 -0.161 0.000 1.048 1657 K CA 1.403 57.605 56.287 -0.143 0.000 0.929 1657 K CB -0.523 31.908 32.500 -0.115 0.000 0.713 1657 K HN 0.290 nan 8.250 nan 0.000 0.439 1658 V N 2.023 121.750 119.914 -0.312 0.000 2.252 1658 V HA -0.317 3.802 4.120 -0.001 0.000 0.249 1658 V C 2.188 178.280 176.094 -0.003 0.000 1.056 1658 V CA 1.927 64.098 62.300 -0.215 0.000 1.022 1658 V CB -0.507 31.061 31.823 -0.426 0.000 0.641 1658 V HN 0.388 nan 8.190 nan 0.000 0.445 1659 Q N -0.790 118.963 119.800 -0.078 0.000 2.364 1659 Q HA -0.021 4.318 4.340 -0.001 0.000 0.207 1659 Q C 2.220 178.179 176.000 -0.068 0.000 0.970 1659 Q CA 1.197 56.962 55.803 -0.064 0.000 0.888 1659 Q CB -0.291 28.392 28.738 -0.090 0.000 0.951 1659 Q HN 0.713 nan 8.270 nan 0.000 0.469 1660 A N 0.991 123.779 122.820 -0.054 0.000 1.897 1660 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 1660 A C 1.959 179.534 177.584 -0.015 0.000 1.181 1660 A CA 0.823 52.836 52.037 -0.041 0.000 0.620 1660 A CB -0.189 18.789 19.000 -0.036 0.000 0.821 1660 A HN 0.151 nan 8.150 nan 0.000 0.443 1661 R N -0.803 119.715 120.500 0.031 0.000 2.080 1661 R HA -0.165 4.175 4.340 -0.001 0.000 0.236 1661 R C 2.447 178.788 176.300 0.070 0.000 1.137 1661 R CA 1.499 57.657 56.100 0.096 0.000 0.943 1661 R CB -0.374 30.041 30.300 0.193 0.000 0.846 1661 R HN 0.614 nan 8.270 nan 0.000 0.431 1662 Q N 1.256 121.040 119.800 -0.027 0.000 2.308 1662 Q HA -0.199 4.141 4.340 -0.001 0.000 0.209 1662 Q C 1.204 177.046 176.000 -0.263 0.000 0.985 1662 Q CA 1.686 57.143 55.803 -0.577 0.000 0.881 1662 Q CB 0.114 28.362 28.738 -0.815 0.000 0.917 1662 Q HN 0.287 nan 8.270 nan 0.000 0.443 1663 K N -0.644 119.684 120.400 -0.119 0.000 2.284 1663 K HA 0.018 4.337 4.320 -0.001 0.000 0.198 1663 K C 2.069 178.695 176.600 0.043 0.000 1.048 1663 K CA 0.439 56.697 56.287 -0.049 0.000 0.987 1663 K CB 0.309 32.761 32.500 -0.081 0.000 0.800 1663 K HN 0.032 nan 8.250 nan 0.000 0.486 1664 K N 0.663 121.074 120.400 0.019 0.000 2.062 1664 K HA -0.016 4.303 4.320 -0.001 0.000 0.205 1664 K C 2.137 178.777 176.600 0.067 0.000 1.051 1664 K CA 1.172 57.478 56.287 0.033 0.000 0.941 1664 K CB -0.065 32.430 32.500 -0.007 0.000 0.719 1664 K HN 0.072 nan 8.250 nan 0.000 0.440 1665 A N 0.796 123.633 122.820 0.028 0.000 1.883 1665 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 1665 A C 2.100 179.663 177.584 -0.035 0.000 1.186 1665 A CA 1.530 53.553 52.037 -0.023 0.000 0.624 1665 A CB -0.907 18.017 19.000 -0.127 0.000 0.822 1665 A HN 0.469 nan 8.150 nan 0.000 0.444 1666 Y N 0.446 120.672 120.300 -0.123 0.000 2.165 1666 Y HA -0.267 4.283 4.550 -0.001 0.000 0.286 1666 Y C 2.545 178.554 175.900 0.181 0.000 1.155 1666 Y CA 2.390 60.510 58.100 0.033 0.000 1.164 1666 Y CB -0.283 38.182 38.460 0.008 0.000 0.978 1666 Y HN 0.331 nan 8.280 nan 0.000 0.513 1667 R N -0.713 119.948 120.500 0.268 0.000 2.073 1667 R HA -0.209 4.130 4.340 -0.001 0.000 0.234 1667 R C 2.151 178.560 176.300 0.182 0.000 1.134 1667 R CA 1.821 58.034 56.100 0.189 0.000 0.952 1667 R CB -0.824 29.582 30.300 0.177 0.000 0.850 1667 R HN 0.426 nan 8.270 nan 0.000 0.433 1668 F N 0.856 120.815 119.950 0.014 0.000 2.075 1668 F HA -0.181 4.346 4.527 -0.001 0.000 0.297 1668 F C 1.918 177.719 175.800 0.001 0.000 1.113 1668 F CA 1.293 59.292 58.000 -0.000 0.000 1.218 1668 F CB -1.071 37.924 39.000 -0.009 0.000 0.984 1668 F HN 0.058 nan 8.300 nan 0.000 0.472 1669 F N 0.522 120.369 119.950 -0.172 0.000 2.091 1669 F HA -0.304 4.222 4.527 -0.001 0.000 0.299 1669 F C 2.833 178.426 175.800 -0.345 0.000 1.103 1669 F CA 2.461 60.286 58.000 -0.291 0.000 1.228 1669 F CB -0.772 38.135 39.000 -0.155 0.000 0.984 1669 F HN 0.077 nan 8.300 nan 0.000 0.477 1670 H N -0.719 118.246 119.070 -0.175 0.000 2.395 1670 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 1670 H C 1.988 177.138 175.328 -0.297 0.000 1.070 1670 H CA 1.486 57.358 56.048 -0.293 0.000 1.356 1670 H CB -0.635 28.957 29.762 -0.284 0.000 1.401 1670 H HN 0.344 nan 8.280 nan 0.000 0.524 1671 N N 0.881 119.527 118.700 -0.090 0.000 2.149 1671 N HA -0.113 4.627 4.740 -0.001 0.000 0.188 1671 N C 2.193 177.591 175.510 -0.186 0.000 1.019 1671 N CA 1.649 54.646 53.050 -0.089 0.000 0.857 1671 N CB -0.505 37.996 38.487 0.022 0.000 0.997 1671 N HN 0.272 nan 8.380 nan 0.000 0.426 1672 G N 0.421 109.006 108.800 -0.357 0.000 2.394 1672 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.215 1672 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.215 1672 G C 1.568 176.244 174.900 -0.374 0.000 1.165 1672 G CA 0.366 45.222 45.100 -0.406 0.000 0.784 1672 G HN 0.308 nan 8.290 nan 0.000 0.535 1673 L N 0.043 120.879 121.223 -0.646 0.000 2.042 1673 L HA -0.074 4.266 4.340 -0.001 0.000 0.210 1673 L C 2.871 179.599 176.870 -0.237 0.000 1.076 1673 L CA 1.149 55.510 54.840 -0.800 0.000 0.749 1673 L CB -0.299 41.101 42.059 -1.098 0.000 0.893 1673 L HN 0.254 nan 8.230 nan 0.000 0.432 1674 I N -0.355 120.113 120.570 -0.168 0.000 2.233 1674 I HA -0.244 3.925 4.170 -0.001 0.000 0.243 1674 I C 1.505 177.653 176.117 0.052 0.000 1.093 1674 I CA 1.129 62.415 61.300 -0.023 0.000 1.380 1674 I CB -0.141 37.785 38.000 -0.124 0.000 1.067 1674 I HN 0.286 nan 8.210 nan 0.000 0.413 1675 N N 0.731 119.428 118.700 -0.004 0.000 2.280 1675 N HA 0.029 4.769 4.740 -0.001 0.000 0.192 1675 N C -0.405 175.130 175.510 0.042 0.000 1.109 1675 N CA 0.173 53.235 53.050 0.019 0.000 0.855 1675 N CB -0.020 38.466 38.487 -0.003 0.000 0.974 1675 N HN 0.148 nan 8.380 nan 0.000 0.482 1676 N N 0.289 119.034 118.700 0.074 0.000 2.780 1676 N HA -0.174 4.566 4.740 -0.001 0.000 0.247 1676 N C -0.660 174.894 175.510 0.074 0.000 1.076 1676 N CA 0.602 53.714 53.050 0.103 0.000 0.688 1676 N CB -1.146 37.375 38.487 0.057 0.000 0.957 1676 N HN 0.349 nan 8.380 nan 0.000 0.551 1677 K N 0.530 120.946 120.400 0.026 0.000 3.278 1677 K HA 0.328 4.647 4.320 -0.001 0.000 0.200 1677 K C 1.230 177.792 176.600 -0.063 0.000 1.107 1677 K CA -0.283 56.029 56.287 0.041 0.000 0.923 1677 K CB 0.509 33.041 32.500 0.052 0.000 0.787 1677 K HN 0.076 nan 8.250 nan 0.000 0.481 1678 L N 0.287 121.510 121.223 -0.000 0.000 2.376 1678 L HA 0.108 4.447 4.340 -0.001 0.000 0.219 1678 L C 0.209 177.176 176.870 0.161 0.000 1.133 1678 L CA 0.965 55.778 54.840 -0.044 0.000 0.816 1678 L CB -0.042 42.117 42.059 0.167 0.000 0.933 1678 L HN 0.279 nan 8.230 nan 0.000 0.449 1679 F N 0.344 120.355 119.950 0.103 0.000 2.427 1679 F HA 0.434 4.961 4.527 -0.001 0.000 0.348 1679 F C -0.521 175.348 175.800 0.115 0.000 1.125 1679 F CA -0.647 57.427 58.000 0.124 0.000 0.989 1679 F CB 1.452 40.525 39.000 0.122 0.000 1.165 1679 F HN -0.450 nan 8.300 nan 0.000 0.442 1680 V N 6.361 126.226 119.914 -0.083 0.000 2.357 1680 V HA 0.581 4.700 4.120 -0.001 0.000 0.284 1680 V C 0.047 176.055 176.094 -0.143 0.000 1.018 1680 V CA -0.768 61.537 62.300 0.008 0.000 0.841 1680 V CB 1.219 33.070 31.823 0.047 0.000 0.991 1680 V HN 0.905 nan 8.190 nan 0.000 0.437 1681 A N 6.227 129.113 122.820 0.111 0.000 2.409 1681 A HA 0.479 4.798 4.320 -0.001 0.000 0.267 1681 A C 0.278 177.894 177.584 0.052 0.000 1.127 1681 A CA -0.316 51.811 52.037 0.150 0.000 0.795 1681 A CB 0.154 19.337 19.000 0.306 0.000 1.061 1681 A HN 0.618 nan 8.150 nan 0.000 0.502 1682 K N 2.172 122.578 120.400 0.009 0.000 2.322 1682 K HA 0.141 4.461 4.320 -0.001 0.000 0.283 1682 K C -0.162 176.483 176.600 0.076 0.000 1.042 1682 K CA -0.176 56.112 56.287 0.002 0.000 0.958 1682 K CB 1.223 33.684 32.500 -0.065 0.000 0.984 1682 K HN 0.725 nan 8.250 nan 0.000 0.473 1683 D N 1.418 121.864 120.400 0.077 0.000 2.429 1683 D HA 0.001 4.640 4.640 -0.001 0.000 0.242 1683 D C 0.177 176.526 176.300 0.081 0.000 1.076 1683 D CA 0.945 54.994 54.000 0.082 0.000 0.955 1683 D CB 0.299 41.141 40.800 0.069 0.000 1.076 1683 D HN 0.162 nan 8.370 nan 0.000 0.448 1684 K N 1.127 121.573 120.400 0.076 0.000 2.154 1684 K HA 0.556 4.875 4.320 -0.001 0.000 0.264 1684 K C -0.101 176.545 176.600 0.077 0.000 1.008 1684 K CA -0.392 55.926 56.287 0.051 0.000 0.937 1684 K CB 1.460 33.979 32.500 0.031 0.000 1.002 1684 K HN 0.054 nan 8.250 nan 0.000 0.469 1685 A N 3.546 126.342 122.820 -0.040 0.000 2.310 1685 A HA 0.288 4.608 4.320 -0.001 0.000 0.260 1685 A C -1.520 175.911 177.584 -0.255 0.000 1.112 1685 A CA -0.839 51.115 52.037 -0.139 0.000 0.804 1685 A CB -0.402 18.323 19.000 -0.458 0.000 1.081 1685 A HN 0.459 nan 8.150 nan 0.000 0.499 1686 P HA -0.027 nan 4.420 nan 0.000 0.216 1686 P C -0.340 176.947 177.300 -0.022 0.000 1.153 1686 P CA 1.251 64.111 63.100 -0.400 0.000 0.844 1686 P CB -0.176 31.181 31.700 -0.572 0.000 0.787 1687 Y N -0.908 119.514 120.300 0.204 0.000 2.323 1687 Y HA 0.495 5.044 4.550 -0.001 0.000 0.331 1687 Y C 0.491 176.449 175.900 0.097 0.000 1.092 1687 Y CA -1.782 56.443 58.100 0.207 0.000 1.150 1687 Y CB 0.127 38.681 38.460 0.158 0.000 1.200 1687 Y HN -0.178 nan 8.280 nan 0.000 0.472 1688 E N 2.191 122.494 120.200 0.171 0.000 2.438 1688 E HA -0.090 4.259 4.350 -0.001 0.000 0.261 1688 E C 0.054 176.737 176.600 0.139 0.000 1.103 1688 E CA -0.015 56.442 56.400 0.096 0.000 0.959 1688 E CB 0.559 30.308 29.700 0.080 0.000 0.958 1688 E HN 0.716 nan 8.360 nan 0.000 0.447 1689 D N 1.553 122.000 120.400 0.079 0.000 2.117 1689 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 1689 D C 1.997 178.338 176.300 0.068 0.000 0.987 1689 D CA 1.272 55.321 54.000 0.082 0.000 0.829 1689 D CB -0.116 40.704 40.800 0.034 0.000 0.961 1689 D HN 0.488 nan 8.370 nan 0.000 0.460 1690 R N 1.050 121.578 120.500 0.046 0.000 2.159 1690 R HA -0.099 4.241 4.340 -0.001 0.000 0.237 1690 R C 2.088 178.396 176.300 0.013 0.000 1.131 1690 R CA 1.264 57.377 56.100 0.021 0.000 0.982 1690 R CB -0.631 29.681 30.300 0.019 0.000 0.868 1690 R HN 0.233 nan 8.270 nan 0.000 0.453 1691 I N 0.746 121.343 120.570 0.045 0.000 3.226 1691 I HA -0.069 4.101 4.170 -0.001 0.000 0.277 1691 I C 2.661 178.741 176.117 -0.062 0.000 1.243 1691 I CA 0.409 61.716 61.300 0.012 0.000 1.459 1691 I CB -0.434 37.598 38.000 0.055 0.000 1.093 1691 I HN 0.281 nan 8.210 nan 0.000 0.453 1692 Q N 1.655 121.433 119.800 -0.037 0.000 2.047 1692 Q HA -0.291 4.049 4.340 -0.001 0.000 0.211 1692 Q C 2.270 178.058 176.000 -0.353 0.000 1.005 1692 Q CA 2.887 58.547 55.803 -0.237 0.000 0.866 1692 Q CB -0.088 28.546 28.738 -0.174 0.000 0.938 1692 Q HN 0.437 nan 8.270 nan 0.000 0.414 1693 S N 0.163 115.692 115.700 -0.285 0.000 2.387 1693 S HA -0.169 4.301 4.470 -0.001 0.000 0.230 1693 S C 1.737 176.271 174.600 -0.111 0.000 1.035 1693 S CA 1.580 59.640 58.200 -0.233 0.000 1.014 1693 S CB -0.143 62.961 63.200 -0.159 0.000 0.836 1693 S HN 0.348 nan 8.310 nan 0.000 0.466 1694 K N 0.535 120.872 120.400 -0.105 0.000 2.025 1694 K HA -0.029 4.290 4.320 -0.001 0.000 0.207 1694 K C 2.077 178.618 176.600 -0.098 0.000 1.049 1694 K CA 1.310 57.549 56.287 -0.080 0.000 0.933 1694 K CB -0.412 32.046 32.500 -0.069 0.000 0.714 1694 K HN 0.204 nan 8.250 nan 0.000 0.438 1695 V N 1.000 120.802 119.914 -0.185 0.000 2.392 1695 V HA -0.234 3.885 4.120 -0.001 0.000 0.249 1695 V C 1.971 177.964 176.094 -0.168 0.000 1.059 1695 V CA 1.726 63.820 62.300 -0.343 0.000 1.051 1695 V CB -0.666 30.674 31.823 -0.805 0.000 0.658 1695 V HN 0.218 nan 8.190 nan 0.000 0.455 1696 F N -0.770 118.970 119.950 -0.350 0.000 2.333 1696 F HA -0.056 4.471 4.527 -0.001 0.000 0.300 1696 F C 1.933 177.699 175.800 -0.058 0.000 1.083 1696 F CA 1.053 58.932 58.000 -0.202 0.000 1.395 1696 F CB 0.033 38.911 39.000 -0.204 0.000 1.056 1696 F HN 0.117 nan 8.300 nan 0.000 0.529 1697 L N -1.550 119.714 121.223 0.068 0.000 2.642 1697 L HA 0.092 4.431 4.340 -0.001 0.000 0.233 1697 L C 0.452 177.282 176.870 -0.068 0.000 1.077 1697 L CA -0.090 54.753 54.840 0.005 0.000 0.879 1697 L CB -0.013 42.045 42.059 -0.002 0.000 1.151 1697 L HN -0.136 nan 8.230 nan 0.000 0.495 1698 N N 1.705 120.353 118.700 -0.086 0.000 2.482 1698 N HA 0.113 4.852 4.740 -0.001 0.000 0.242 1698 N C -2.078 173.272 175.510 -0.267 0.000 1.100 1698 N CA -1.958 51.017 53.050 -0.126 0.000 0.946 1698 N CB 1.102 39.539 38.487 -0.082 0.000 1.227 1698 N HN -0.104 nan 8.380 nan 0.000 0.508 1699 P HA 0.008 nan 4.420 nan 0.000 0.251 1699 P C 0.102 177.164 177.300 -0.398 0.000 1.251 1699 P CA 0.908 63.636 63.100 -0.620 0.000 0.763 1699 P CB 0.257 31.761 31.700 -0.327 0.000 1.067 1700 Q N -1.958 117.724 119.800 -0.198 0.000 2.126 1700 Q HA 0.095 4.435 4.340 -0.001 0.000 0.233 1700 Q C 0.132 176.164 176.000 0.055 0.000 0.788 1700 Q CA -0.026 55.753 55.803 -0.040 0.000 0.968 1700 Q CB 0.563 29.285 28.738 -0.026 0.000 1.163 1700 Q HN 0.178 nan 8.270 nan 0.000 0.471 1701 S N 1.273 117.004 115.700 0.051 0.000 2.544 1701 S HA 0.264 4.734 4.470 -0.001 0.000 0.290 1701 S C -0.079 174.720 174.600 0.331 0.000 1.276 1701 S CA -0.127 58.149 58.200 0.127 0.000 1.075 1701 S CB 0.670 63.861 63.200 -0.015 0.000 0.849 1701 S HN 0.156 nan 8.310 nan 0.000 0.494 1702 R N 1.613 122.331 120.500 0.364 0.000 2.771 1702 R HA 0.518 4.857 4.340 -0.001 0.000 0.274 1702 R C -1.201 175.211 176.300 0.187 0.000 0.987 1702 R CA -1.016 55.308 56.100 0.374 0.000 0.908 1702 R CB 1.841 32.260 30.300 0.198 0.000 1.213 1702 R HN 0.521 nan 8.270 nan 0.000 0.468 1703 V N 2.083 121.903 119.914 -0.156 0.000 2.637 1703 V HA 0.094 4.214 4.120 -0.001 0.000 0.296 1703 V C 0.531 176.534 176.094 -0.151 0.000 1.046 1703 V CA 0.417 62.490 62.300 -0.377 0.000 1.066 1703 V CB 1.271 32.751 31.823 -0.572 0.000 0.968 1703 V HN 0.916 nan 8.190 nan 0.000 0.483 1704 T N 2.866 117.356 114.554 -0.107 0.000 2.925 1704 T HA 0.529 4.878 4.350 -0.001 0.000 0.285 1704 T C -0.345 174.316 174.700 -0.066 0.000 1.021 1704 T CA -0.785 61.276 62.100 -0.065 0.000 1.042 1704 T CB 1.583 70.436 68.868 -0.024 0.000 1.037 1704 T HN 0.550 nan 8.240 nan 0.000 0.481 1705 Q N 1.135 120.902 119.800 -0.055 0.000 2.386 1705 Q HA 0.235 4.574 4.340 -0.001 0.000 0.282 1705 Q C -0.069 175.915 176.000 -0.026 0.000 1.050 1705 Q CA 0.749 56.527 55.803 -0.040 0.000 0.918 1705 Q CB 0.384 29.100 28.738 -0.037 0.000 1.266 1705 Q HN 0.772 nan 8.270 nan 0.000 0.423 1706 E N 0.293 120.483 120.200 -0.018 0.000 2.396 1706 E HA 0.272 4.621 4.350 -0.001 0.000 0.251 1706 E C 0.603 177.201 176.600 -0.005 0.000 0.949 1706 E CA 0.118 56.513 56.400 -0.008 0.000 0.834 1706 E CB 1.354 31.052 29.700 -0.003 0.000 1.309 1706 E HN 0.784 nan 8.360 nan 0.000 0.405 1707 S N 0.285 115.985 115.700 0.000 0.000 2.402 1707 S HA -0.171 4.299 4.470 -0.001 0.000 0.229 1707 S C 1.169 175.770 174.600 0.001 0.000 1.021 1707 S CA 1.513 59.714 58.200 0.001 0.000 0.974 1707 S CB -0.400 62.802 63.200 0.004 0.000 0.800 1707 S HN 0.507 nan 8.310 nan 0.000 0.484 1708 N N 0.649 119.351 118.700 0.003 0.000 2.236 1708 N HA 0.355 5.095 4.740 -0.001 0.000 0.196 1708 N C 1.110 176.620 175.510 0.001 0.000 1.114 1708 N CA 0.571 53.623 53.050 0.004 0.000 0.859 1708 N CB 0.043 38.535 38.487 0.009 0.000 0.982 1708 N HN 0.489 nan 8.380 nan 0.000 0.493 1709 G N -0.354 108.445 108.800 -0.003 0.000 2.213 1709 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.226 1709 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.226 1709 G C -0.544 174.354 174.900 -0.002 0.000 0.992 1709 G CA -0.224 44.871 45.100 -0.009 0.000 0.632 1709 G HN 0.418 nan 8.290 nan 0.000 0.511 1710 E N 1.204 121.411 120.200 0.011 0.000 2.217 1710 E HA 0.407 4.756 4.350 -0.001 0.000 0.279 1710 E C 0.570 177.184 176.600 0.023 0.000 1.068 1710 E CA -0.364 56.057 56.400 0.035 0.000 0.882 1710 E CB 0.829 30.556 29.700 0.045 0.000 1.039 1710 E HN 0.361 nan 8.360 nan 0.000 0.418 1711 L N 4.658 125.908 121.223 0.045 0.000 2.433 1711 L HA 0.139 4.478 4.340 -0.001 0.000 0.275 1711 L C 0.564 177.361 176.870 -0.122 0.000 1.128 1711 L CA 0.564 55.389 54.840 -0.025 0.000 0.875 1711 L CB -0.158 41.912 42.059 0.019 0.000 1.171 1711 L HN 0.369 nan 8.230 nan 0.000 0.463 1712 K N 2.955 123.260 120.400 -0.158 0.000 2.433 1712 K HA 0.543 4.862 4.320 -0.001 0.000 0.252 1712 K C -1.244 175.229 176.600 -0.211 0.000 1.015 1712 K CA -0.912 55.267 56.287 -0.179 0.000 0.860 1712 K CB 2.172 34.650 32.500 -0.037 0.000 1.359 1712 K HN 0.070 nan 8.250 nan 0.000 0.452 1713 F N 2.233 122.185 119.950 0.004 0.000 2.411 1713 F HA 0.274 4.800 4.527 -0.001 0.000 0.355 1713 F C -1.780 174.040 175.800 0.033 0.000 1.117 1713 F CA -2.001 56.016 58.000 0.028 0.000 1.139 1713 F CB 0.430 39.467 39.000 0.062 0.000 1.120 1713 F HN 0.192 nan 8.300 nan 0.000 0.493 1714 P HA 0.142 nan 4.420 nan 0.000 0.268 1714 P C -0.383 176.983 177.300 0.110 0.000 1.208 1714 P CA -0.292 62.877 63.100 0.115 0.000 0.777 1714 P CB 0.511 32.262 31.700 0.086 0.000 0.875 1715 A N 0.000 122.866 122.820 0.077 0.000 2.254 1715 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 1715 A CA 0.000 52.074 52.037 0.061 0.000 0.836 1715 A CB 0.000 19.027 19.000 0.046 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486