REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2uvb_1_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 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 R N 1.532 122.035 120.500 0.004 0.000 2.248 2 R HA 0.192 4.531 4.340 -0.002 0.000 0.337 2 R C -1.827 174.476 176.300 0.004 0.000 1.085 2 R CA -1.324 54.778 56.100 0.003 0.000 0.934 2 R CB 0.490 30.791 30.300 0.002 0.000 1.034 2 R HN -0.020 nan 8.270 nan 0.000 0.465 3 P HA -0.217 nan 4.420 nan 0.000 0.215 3 P C 0.386 177.687 177.300 0.003 0.000 1.157 3 P CA 1.442 64.544 63.100 0.004 0.000 0.874 3 P CB 0.243 31.945 31.700 0.003 0.000 0.790 4 E N -0.786 119.412 120.200 -0.002 0.000 2.204 4 E HA -0.093 4.256 4.350 -0.002 0.000 0.195 4 E C 1.893 178.488 176.600 -0.008 0.000 0.990 4 E CA 0.750 57.145 56.400 -0.009 0.000 0.821 4 E CB -0.678 29.014 29.700 -0.013 0.000 0.750 4 E HN 0.096 nan 8.360 nan 0.000 0.477 5 V N 1.665 121.579 119.914 -0.001 0.000 2.255 5 V HA -0.222 3.897 4.120 -0.002 0.000 0.243 5 V C 2.100 178.202 176.094 0.014 0.000 1.038 5 V CA 1.852 64.155 62.300 0.005 0.000 1.008 5 V CB -0.447 31.380 31.823 0.006 0.000 0.645 5 V HN 0.195 nan 8.190 nan 0.000 0.449 6 E N -0.369 119.840 120.200 0.016 0.000 2.147 6 E HA -0.314 4.035 4.350 -0.002 0.000 0.199 6 E C 2.296 178.918 176.600 0.036 0.000 1.005 6 E CA 1.569 57.983 56.400 0.024 0.000 0.810 6 E CB -0.153 29.558 29.700 0.019 0.000 0.736 6 E HN 0.607 nan 8.360 nan 0.000 0.460 7 Q N 0.559 120.376 119.800 0.029 0.000 1.956 7 Q HA -0.232 4.107 4.340 -0.002 0.000 0.208 7 Q C 2.121 178.163 176.000 0.072 0.000 0.998 7 Q CA 1.723 57.551 55.803 0.041 0.000 0.855 7 Q CB -0.151 28.591 28.738 0.006 0.000 0.928 7 Q HN 0.381 nan 8.270 nan 0.000 0.418 8 E N 0.317 120.533 120.200 0.027 0.000 2.209 8 E HA -0.188 4.160 4.350 -0.002 0.000 0.196 8 E C 2.101 178.778 176.600 0.128 0.000 0.993 8 E CA 0.702 57.127 56.400 0.041 0.000 0.819 8 E CB -0.109 29.584 29.700 -0.013 0.000 0.745 8 E HN 0.321 nan 8.360 nan 0.000 0.477 9 L N 0.621 121.897 121.223 0.089 0.000 1.993 9 L HA -0.107 4.231 4.340 -0.002 0.000 0.206 9 L C 2.682 179.608 176.870 0.093 0.000 1.074 9 L CA 0.979 55.867 54.840 0.081 0.000 0.746 9 L CB -0.544 41.544 42.059 0.048 0.000 0.896 9 L HN 0.112 nan 8.230 nan 0.000 0.435 10 A N -0.616 122.255 122.820 0.085 0.000 1.927 10 A HA -0.331 3.988 4.320 -0.002 0.000 0.220 10 A C 2.186 179.831 177.584 0.101 0.000 1.185 10 A CA 2.071 54.154 52.037 0.076 0.000 0.639 10 A CB -1.109 17.931 19.000 0.067 0.000 0.820 10 A HN 0.508 nan 8.150 nan 0.000 0.451 11 Y N 1.423 121.731 120.300 0.014 0.000 2.030 11 Y HA -0.275 4.274 4.550 -0.002 0.000 0.274 11 Y C 2.731 178.645 175.900 0.024 0.000 1.153 11 Y CA 2.885 60.996 58.100 0.017 0.000 1.115 11 Y CB -0.730 37.739 38.460 0.016 0.000 0.969 11 Y HN 0.342 nan 8.280 nan 0.000 0.488 12 T N 1.088 115.754 114.554 0.186 0.000 2.995 12 T HA -0.121 4.227 4.350 -0.002 0.000 0.269 12 T C 1.715 176.422 174.700 0.011 0.000 1.091 12 T CA 0.995 63.134 62.100 0.066 0.000 1.128 12 T CB -0.464 68.506 68.868 0.169 0.000 0.891 12 T HN 0.268 nan 8.240 nan 0.000 0.492 13 L N 1.395 122.633 121.223 0.024 0.000 1.994 13 L HA 0.067 4.406 4.340 -0.002 0.000 0.208 13 L C 2.166 179.027 176.870 -0.015 0.000 1.071 13 L CA 1.451 56.297 54.840 0.010 0.000 0.745 13 L CB -1.105 40.964 42.059 0.016 0.000 0.892 13 L HN 0.165 nan 8.230 nan 0.000 0.431 14 L N -0.740 120.459 121.223 -0.040 0.000 1.956 14 L HA -0.231 4.108 4.340 -0.002 0.000 0.216 14 L C 2.588 179.399 176.870 -0.098 0.000 1.073 14 L CA 2.328 57.127 54.840 -0.068 0.000 0.762 14 L CB -0.909 41.097 42.059 -0.087 0.000 0.889 14 L HN 0.207 nan 8.230 nan 0.000 0.433 15 V N 0.342 120.138 119.914 -0.197 0.000 2.317 15 V HA -0.299 3.820 4.120 -0.002 0.000 0.251 15 V C 2.691 178.761 176.094 -0.040 0.000 1.065 15 V CA 1.957 64.142 62.300 -0.191 0.000 1.049 15 V CB -0.629 31.007 31.823 -0.312 0.000 0.651 15 V HN 0.465 nan 8.190 nan 0.000 0.450 16 E N -0.088 120.123 120.200 0.019 0.000 2.028 16 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 16 E C 2.264 178.975 176.600 0.186 0.000 0.988 16 E CA 1.048 57.540 56.400 0.153 0.000 0.799 16 E CB -0.527 29.247 29.700 0.122 0.000 0.755 16 E HN 0.509 nan 8.360 nan 0.000 0.447 17 L N 0.729 121.999 121.223 0.079 0.000 2.021 17 L HA -0.252 4.087 4.340 -0.002 0.000 0.215 17 L C 2.589 179.500 176.870 0.068 0.000 1.074 17 L CA 1.195 56.073 54.840 0.064 0.000 0.760 17 L CB -0.478 41.592 42.059 0.018 0.000 0.889 17 L HN 0.127 nan 8.230 nan 0.000 0.433 18 L N -1.277 119.961 121.223 0.024 0.000 2.005 18 L HA -0.173 4.165 4.340 -0.002 0.000 0.207 18 L C 2.901 179.767 176.870 -0.007 0.000 1.072 18 L CA 1.095 55.922 54.840 -0.022 0.000 0.744 18 L CB -0.984 41.041 42.059 -0.057 0.000 0.895 18 L HN 0.262 nan 8.230 nan 0.000 0.433 19 A N 0.046 122.893 122.820 0.044 0.000 1.869 19 A HA -0.281 4.037 4.320 -0.002 0.000 0.218 19 A C 1.983 179.617 177.584 0.083 0.000 1.203 19 A CA 2.012 54.079 52.037 0.049 0.000 0.638 19 A CB -1.157 17.833 19.000 -0.018 0.000 0.831 19 A HN 0.445 nan 8.150 nan 0.000 0.450 20 Y N -0.331 120.027 120.300 0.097 0.000 2.583 20 Y HA -0.038 4.510 4.550 -0.002 0.000 0.293 20 Y C 2.448 178.408 175.900 0.099 0.000 1.157 20 Y CA 0.896 59.062 58.100 0.110 0.000 1.315 20 Y CB -0.159 38.337 38.460 0.061 0.000 1.021 20 Y HN 0.473 nan 8.280 nan 0.000 0.536 21 Q N -0.087 119.804 119.800 0.152 0.000 2.181 21 Q HA -0.225 4.114 4.340 -0.002 0.000 0.205 21 Q C 1.506 177.536 176.000 0.050 0.000 0.980 21 Q CA 1.525 57.359 55.803 0.052 0.000 0.862 21 Q CB -0.296 28.410 28.738 -0.053 0.000 0.905 21 Q HN 0.429 nan 8.270 nan 0.000 0.429 22 F N 0.726 120.689 119.950 0.022 0.000 2.041 22 F HA -0.277 4.248 4.527 -0.002 0.000 0.296 22 F C 1.861 177.673 175.800 0.020 0.000 1.147 22 F CA 1.819 59.821 58.000 0.004 0.000 1.214 22 F CB -0.718 38.265 39.000 -0.029 0.000 0.947 22 F HN 0.148 nan 8.300 nan 0.000 0.511 23 A N -0.290 122.701 122.820 0.285 0.000 3.163 23 A HA 0.381 4.700 4.320 -0.002 0.000 0.283 23 A C 0.003 177.676 177.584 0.148 0.000 1.412 23 A CA 0.075 52.215 52.037 0.171 0.000 1.053 23 A CB -0.614 18.461 19.000 0.126 0.000 1.082 23 A HN 0.197 nan 8.150 nan 0.000 0.639 24 M N 0.862 120.541 119.600 0.132 0.000 2.182 24 M HA 0.309 4.788 4.480 -0.002 0.000 0.266 24 M C -2.978 173.369 176.300 0.078 0.000 0.989 24 M CA -1.956 53.406 55.300 0.103 0.000 1.003 24 M CB 1.564 34.234 32.600 0.116 0.000 1.812 24 M HN -0.009 nan 8.290 nan 0.000 0.472 25 P HA 0.072 nan 4.420 nan 0.000 0.264 25 P C -0.556 176.783 177.300 0.065 0.000 1.179 25 P CA -0.258 62.877 63.100 0.059 0.000 0.763 25 P CB 0.412 32.142 31.700 0.051 0.000 0.806 26 V N 4.391 124.348 119.914 0.071 0.000 2.372 26 V HA 0.155 4.274 4.120 -0.002 0.000 0.261 26 V C 1.226 177.401 176.094 0.135 0.000 1.055 26 V CA -0.384 61.977 62.300 0.101 0.000 0.930 26 V CB -0.041 31.838 31.823 0.092 0.000 1.031 26 V HN 0.483 nan 8.190 nan 0.000 0.479 27 R N 4.749 125.324 120.500 0.125 0.000 4.138 27 R HA 0.070 4.408 4.340 -0.002 0.000 0.206 27 R C 0.810 177.189 176.300 0.132 0.000 1.667 27 R CA -0.406 55.757 56.100 0.104 0.000 1.481 27 R CB 0.060 30.390 30.300 0.049 0.000 1.388 27 R HN 0.896 nan 8.270 nan 0.000 0.776 28 W N 2.525 123.826 121.300 0.001 0.000 2.800 28 W HA -0.021 4.638 4.660 -0.002 0.000 0.249 28 W C 0.774 177.295 176.519 0.003 0.000 1.294 28 W CA 0.442 57.786 57.345 -0.002 0.000 1.402 28 W CB 0.209 29.667 29.460 -0.004 0.000 1.126 28 W HN 0.371 nan 8.180 nan 0.000 0.652 29 I N 0.486 121.075 120.570 0.031 0.000 2.235 29 I HA -0.263 3.906 4.170 -0.002 0.000 0.241 29 I C 2.122 178.167 176.117 -0.119 0.000 1.085 29 I CA 1.336 62.614 61.300 -0.037 0.000 1.378 29 I CB -0.831 37.185 38.000 0.026 0.000 1.076 29 I HN -0.148 nan 8.210 nan 0.000 0.415 30 E N 0.879 121.030 120.200 -0.082 0.000 2.160 30 E HA -0.186 4.163 4.350 -0.002 0.000 0.195 30 E C 2.089 178.593 176.600 -0.160 0.000 0.991 30 E CA 1.839 58.186 56.400 -0.088 0.000 0.810 30 E CB -0.406 29.265 29.700 -0.050 0.000 0.742 30 E HN 0.488 nan 8.360 nan 0.000 0.466 31 T N 1.255 115.654 114.554 -0.259 0.000 2.770 31 T HA -0.142 4.207 4.350 -0.002 0.000 0.263 31 T C 1.892 176.276 174.700 -0.526 0.000 1.039 31 T CA 0.986 62.848 62.100 -0.397 0.000 1.142 31 T CB -0.128 68.422 68.868 -0.529 0.000 0.868 31 T HN 0.168 nan 8.240 nan 0.000 0.435 32 Q N 0.515 119.910 119.800 -0.675 0.000 2.170 32 Q HA -0.149 4.190 4.340 -0.002 0.000 0.203 32 Q C 1.810 177.634 176.000 -0.292 0.000 0.976 32 Q CA 1.436 56.918 55.803 -0.535 0.000 0.858 32 Q CB -0.144 28.323 28.738 -0.451 0.000 0.907 32 Q HN 0.496 nan 8.270 nan 0.000 0.433 33 D N -0.582 119.707 120.400 -0.185 0.000 2.194 33 D HA -0.089 4.550 4.640 -0.002 0.000 0.204 33 D C 1.750 178.001 176.300 -0.082 0.000 0.964 33 D CA 0.513 54.485 54.000 -0.047 0.000 0.846 33 D CB 0.131 40.939 40.800 0.015 0.000 0.962 33 D HN -0.007 nan 8.370 nan 0.000 0.490 34 V N 0.887 120.724 119.914 -0.127 0.000 2.490 34 V HA -0.177 3.942 4.120 -0.002 0.000 0.250 34 V C 2.180 178.204 176.094 -0.117 0.000 1.061 34 V CA 1.088 63.324 62.300 -0.108 0.000 1.064 34 V CB -0.264 31.491 31.823 -0.112 0.000 0.670 34 V HN 0.285 nan 8.190 nan 0.000 0.461 35 I N -0.931 119.539 120.570 -0.167 0.000 2.400 35 I HA -0.128 4.041 4.170 -0.002 0.000 0.248 35 I C 2.163 178.184 176.117 -0.160 0.000 1.109 35 I CA 1.392 62.598 61.300 -0.157 0.000 1.425 35 I CB -0.185 37.699 38.000 -0.193 0.000 1.094 35 I HN 0.267 nan 8.210 nan 0.000 0.425 36 L N 0.324 121.408 121.223 -0.233 0.000 2.162 36 L HA 0.011 4.349 4.340 -0.002 0.000 0.205 36 L C 2.596 179.331 176.870 -0.225 0.000 1.086 36 L CA 1.039 55.675 54.840 -0.340 0.000 0.778 36 L CB -0.401 41.203 42.059 -0.759 0.000 0.928 36 L HN 0.163 nan 8.230 nan 0.000 0.446 37 A N -0.589 122.165 122.820 -0.110 0.000 1.909 37 A HA -0.019 4.299 4.320 -0.002 0.000 0.210 37 A C 2.106 179.683 177.584 -0.010 0.000 1.273 37 A CA 0.355 52.366 52.037 -0.043 0.000 0.654 37 A CB -0.230 18.775 19.000 0.009 0.000 0.945 37 A HN 0.225 nan 8.150 nan 0.000 0.471 38 E N -0.035 120.153 120.200 -0.021 0.000 2.007 38 E HA -0.160 4.189 4.350 -0.002 0.000 0.194 38 E C 1.554 178.154 176.600 0.000 0.000 0.999 38 E CA 1.410 57.806 56.400 -0.007 0.000 0.811 38 E CB -0.112 29.575 29.700 -0.023 0.000 0.762 38 E HN 0.381 nan 8.360 nan 0.000 0.450 39 K N 0.207 120.595 120.400 -0.020 0.000 2.444 39 K HA 0.118 4.437 4.320 -0.002 0.000 0.193 39 K C -0.335 176.262 176.600 -0.006 0.000 1.024 39 K CA -0.099 56.181 56.287 -0.013 0.000 1.077 39 K CB 0.246 32.731 32.500 -0.025 0.000 0.833 39 K HN 0.016 nan 8.250 nan 0.000 0.517 40 R N 1.677 122.174 120.500 -0.005 0.000 3.109 40 R HA -0.144 4.195 4.340 -0.002 0.000 0.241 40 R C -0.591 175.708 176.300 -0.001 0.000 0.882 40 R CA 0.864 56.972 56.100 0.014 0.000 0.604 40 R CB -2.254 28.095 30.300 0.082 0.000 1.040 40 R HN 0.338 nan 8.270 nan 0.000 0.480 41 T N -2.889 111.644 114.554 -0.035 0.000 2.870 41 T HA 0.106 4.454 4.350 -0.002 0.000 0.300 41 T C 1.214 175.901 174.700 -0.021 0.000 0.989 41 T CA -0.513 61.570 62.100 -0.027 0.000 1.139 41 T CB 1.465 70.308 68.868 -0.041 0.000 0.920 41 T HN 0.351 nan 8.240 nan 0.000 0.537 42 E N 2.248 122.447 120.200 -0.002 0.000 2.060 42 E HA 0.013 4.362 4.350 -0.002 0.000 0.189 42 E C 0.712 177.312 176.600 -0.001 0.000 0.974 42 E CA 0.563 56.966 56.400 0.005 0.000 0.808 42 E CB 0.184 29.896 29.700 0.019 0.000 0.768 42 E HN 0.556 nan 8.360 nan 0.000 0.453 43 R N 1.460 121.961 120.500 0.003 0.000 2.215 43 R HA 0.340 4.679 4.340 -0.002 0.000 0.336 43 R C -0.584 175.712 176.300 -0.005 0.000 0.996 43 R CA -0.176 55.924 56.100 -0.000 0.000 0.847 43 R CB 0.867 31.172 30.300 0.007 0.000 1.127 43 R HN 0.054 nan 8.270 nan 0.000 0.465 44 I N 3.812 124.377 120.570 -0.008 0.000 2.304 44 I HA 0.237 4.405 4.170 -0.002 0.000 0.291 44 I C -0.172 175.956 176.117 0.018 0.000 1.018 44 I CA -0.893 60.408 61.300 0.001 0.000 1.260 44 I CB 1.374 39.372 38.000 -0.003 0.000 1.390 44 I HN 0.174 nan 8.210 nan 0.000 0.475 45 V N 6.090 126.021 119.914 0.028 0.000 2.394 45 V HA 0.262 4.381 4.120 -0.002 0.000 0.282 45 V C 0.163 176.298 176.094 0.067 0.000 1.031 45 V CA -0.570 61.756 62.300 0.042 0.000 0.881 45 V CB 1.689 33.534 31.823 0.036 0.000 0.982 45 V HN 0.736 nan 8.190 nan 0.000 0.451 46 E N 4.522 124.769 120.200 0.079 0.000 2.175 46 E HA 0.578 4.926 4.350 -0.002 0.000 0.278 46 E C -1.309 175.352 176.600 0.100 0.000 0.969 46 E CA -0.597 55.853 56.400 0.083 0.000 0.796 46 E CB 1.390 31.132 29.700 0.071 0.000 1.104 46 E HN 0.623 nan 8.360 nan 0.000 0.395 47 I N 4.263 124.867 120.570 0.057 0.000 2.410 47 I HA 0.587 4.756 4.170 -0.002 0.000 0.286 47 I C 0.297 176.396 176.117 -0.031 0.000 1.009 47 I CA -0.322 60.986 61.300 0.014 0.000 1.111 47 I CB 1.592 39.564 38.000 -0.047 0.000 1.262 47 I HN 0.719 nan 8.210 nan 0.000 0.443 48 G N 6.292 115.082 108.800 -0.018 0.000 2.323 48 G HA2 0.203 4.162 3.960 -0.002 0.000 0.291 48 G HA3 0.203 4.162 3.960 -0.002 0.000 0.291 48 G C -2.854 172.060 174.900 0.023 0.000 1.278 48 G CA -0.418 44.664 45.100 -0.029 0.000 0.860 48 G HN 0.285 nan 8.290 nan 0.000 0.504 49 P HA 0.245 nan 4.420 nan 0.000 0.230 49 P C 0.465 177.780 177.300 0.025 0.000 1.168 49 P CA 0.732 63.846 63.100 0.023 0.000 0.793 49 P CB 0.452 32.152 31.700 -0.000 0.000 0.851 50 S N -0.211 115.497 115.700 0.012 0.000 2.627 50 S HA 0.289 4.758 4.470 -0.002 0.000 0.283 50 S C -0.839 173.767 174.600 0.009 0.000 1.127 50 S CA -0.729 57.476 58.200 0.008 0.000 0.863 50 S CB 1.221 64.416 63.200 -0.009 0.000 1.121 50 S HN 0.102 nan 8.310 nan 0.000 0.479 51 D N 0.964 121.369 120.400 0.009 0.000 2.896 51 D HA 0.075 4.714 4.640 -0.002 0.000 0.240 51 D C 1.211 177.510 176.300 -0.002 0.000 1.193 51 D CA -0.261 53.745 54.000 0.011 0.000 0.983 51 D CB -0.314 40.495 40.800 0.015 0.000 1.074 51 D HN 0.554 nan 8.370 nan 0.000 0.496 52 T N -1.549 112.992 114.554 -0.021 0.000 2.781 52 T HA -0.062 4.287 4.350 -0.002 0.000 0.252 52 T C 2.123 176.795 174.700 -0.046 0.000 1.039 52 T CA 0.174 62.249 62.100 -0.043 0.000 1.147 52 T CB -0.532 68.291 68.868 -0.075 0.000 0.865 52 T HN 0.242 nan 8.240 nan 0.000 0.423 53 L N 1.236 122.420 121.223 -0.065 0.000 2.275 53 L HA 0.137 4.475 4.340 -0.002 0.000 0.215 53 L C 2.987 179.907 176.870 0.082 0.000 1.119 53 L CA 0.984 55.812 54.840 -0.019 0.000 0.790 53 L CB -0.966 41.072 42.059 -0.034 0.000 0.919 53 L HN 0.521 nan 8.230 nan 0.000 0.443 54 G N 0.085 108.913 108.800 0.048 0.000 2.424 54 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.214 54 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.214 54 G C 1.579 176.508 174.900 0.047 0.000 1.202 54 G CA 0.650 45.781 45.100 0.052 0.000 0.793 54 G HN 0.434 nan 8.290 nan 0.000 0.534 55 G N 0.351 109.172 108.800 0.034 0.000 2.443 55 G HA2 -0.129 3.829 3.960 -0.002 0.000 0.219 55 G HA3 -0.129 3.829 3.960 -0.002 0.000 0.219 55 G C 1.762 176.690 174.900 0.047 0.000 1.131 55 G CA 0.980 46.100 45.100 0.032 0.000 0.775 55 G HN 0.410 nan 8.290 nan 0.000 0.547 56 M N 0.872 120.508 119.600 0.060 0.000 2.159 56 M HA 0.077 4.556 4.480 -0.002 0.000 0.263 56 M C 2.490 178.872 176.300 0.137 0.000 1.063 56 M CA 1.769 57.128 55.300 0.098 0.000 1.110 56 M CB 0.041 32.700 32.600 0.099 0.000 1.374 56 M HN 0.238 nan 8.290 nan 0.000 0.411 57 A N -0.599 122.298 122.820 0.128 0.000 2.178 57 A HA 0.056 4.374 4.320 -0.002 0.000 0.211 57 A C 1.970 179.573 177.584 0.031 0.000 1.157 57 A CA 0.418 52.506 52.037 0.084 0.000 0.780 57 A CB -0.347 18.700 19.000 0.079 0.000 0.828 57 A HN 0.516 nan 8.150 nan 0.000 0.476 58 R N -0.621 119.904 120.500 0.040 0.000 2.127 58 R HA 0.086 4.425 4.340 -0.002 0.000 0.217 58 R C 2.184 178.509 176.300 0.042 0.000 1.074 58 R CA 0.681 56.800 56.100 0.030 0.000 0.991 58 R CB -0.116 30.201 30.300 0.028 0.000 0.895 58 R HN 0.401 nan 8.270 nan 0.000 0.450 59 R N -0.030 120.502 120.500 0.053 0.000 2.090 59 R HA -0.060 4.279 4.340 -0.002 0.000 0.228 59 R C 2.095 178.441 176.300 0.076 0.000 1.110 59 R CA 1.855 57.991 56.100 0.059 0.000 0.973 59 R CB -0.244 30.091 30.300 0.059 0.000 0.869 59 R HN 0.293 nan 8.270 nan 0.000 0.440 60 T N -0.225 114.380 114.554 0.085 0.000 2.962 60 T HA 0.005 4.353 4.350 -0.002 0.000 0.270 60 T C 1.892 176.694 174.700 0.170 0.000 1.088 60 T CA 0.548 62.721 62.100 0.121 0.000 1.127 60 T CB -0.058 68.870 68.868 0.099 0.000 0.883 60 T HN 0.107 nan 8.240 nan 0.000 0.493 61 L N 0.193 121.466 121.223 0.082 0.000 2.217 61 L HA -0.008 4.331 4.340 -0.002 0.000 0.211 61 L C 2.819 179.773 176.870 0.140 0.000 1.107 61 L CA 1.284 56.178 54.840 0.090 0.000 0.783 61 L CB -0.393 41.676 42.059 0.016 0.000 0.919 61 L HN 0.412 nan 8.230 nan 0.000 0.442 62 Q N -0.777 119.086 119.800 0.104 0.000 2.107 62 Q HA -0.097 4.242 4.340 -0.002 0.000 0.195 62 Q C 2.296 178.344 176.000 0.080 0.000 0.964 62 Q CA 1.492 57.345 55.803 0.083 0.000 0.833 62 Q CB -0.014 28.759 28.738 0.058 0.000 0.910 62 Q HN 0.443 nan 8.270 nan 0.000 0.465 63 S N -0.086 115.660 115.700 0.076 0.000 2.515 63 S HA -0.004 4.464 4.470 -0.002 0.000 0.231 63 S C 1.523 176.140 174.600 0.029 0.000 0.987 63 S CA 0.787 59.017 58.200 0.050 0.000 0.936 63 S CB 0.191 63.418 63.200 0.046 0.000 0.766 63 S HN 0.151 nan 8.310 nan 0.000 0.528 64 K N -0.949 119.479 120.400 0.047 0.000 2.494 64 K HA 0.255 4.574 4.320 -0.002 0.000 0.201 64 K C 0.447 176.957 176.600 -0.150 0.000 1.338 64 K CA 0.224 56.451 56.287 -0.099 0.000 0.935 64 K CB 0.089 32.451 32.500 -0.229 0.000 1.514 64 K HN 0.311 nan 8.250 nan 0.000 0.490 65 Y N 2.205 122.504 120.300 -0.003 0.000 2.462 65 Y HA 0.021 4.570 4.550 -0.002 0.000 0.293 65 Y C 1.729 177.682 175.900 0.089 0.000 1.195 65 Y CA 0.140 58.255 58.100 0.026 0.000 1.276 65 Y CB -0.126 38.316 38.460 -0.030 0.000 1.082 65 Y HN 0.192 nan 8.280 nan 0.000 0.514 66 E N 1.744 122.036 120.200 0.154 0.000 2.037 66 E HA -0.290 4.059 4.350 -0.002 0.000 0.214 66 E C 2.264 178.934 176.600 0.117 0.000 1.041 66 E CA 2.254 58.723 56.400 0.115 0.000 0.872 66 E CB -0.403 29.338 29.700 0.068 0.000 0.785 66 E HN 0.303 nan 8.360 nan 0.000 0.476 67 A N -1.232 121.644 122.820 0.093 0.000 2.067 67 A HA -0.034 4.284 4.320 -0.002 0.000 0.217 67 A C 2.204 179.843 177.584 0.092 0.000 1.156 67 A CA 1.118 53.197 52.037 0.071 0.000 0.683 67 A CB -0.853 18.170 19.000 0.038 0.000 0.808 67 A HN 0.547 nan 8.150 nan 0.000 0.455 68 Y N 1.248 121.559 120.300 0.019 0.000 2.097 68 Y HA -0.284 4.265 4.550 -0.002 0.000 0.282 68 Y C 1.841 177.782 175.900 0.068 0.000 1.152 68 Y CA 2.268 60.389 58.100 0.035 0.000 1.136 68 Y CB -0.149 38.330 38.460 0.031 0.000 0.975 68 Y HN 0.350 nan 8.280 nan 0.000 0.498 69 D N 0.173 120.814 120.400 0.402 0.000 2.144 69 D HA -0.181 4.458 4.640 -0.002 0.000 0.199 69 D C 2.215 178.566 176.300 0.084 0.000 0.984 69 D CA 1.431 55.588 54.000 0.261 0.000 0.834 69 D CB -0.528 40.410 40.800 0.231 0.000 0.955 69 D HN 0.511 nan 8.370 nan 0.000 0.465 70 A N 0.661 123.519 122.820 0.064 0.000 1.898 70 A HA 0.005 4.323 4.320 -0.002 0.000 0.216 70 A C 2.255 179.825 177.584 -0.023 0.000 1.181 70 A CA 2.093 54.142 52.037 0.021 0.000 0.620 70 A CB -0.741 18.275 19.000 0.026 0.000 0.819 70 A HN 0.238 nan 8.150 nan 0.000 0.442 71 A N -0.921 121.860 122.820 -0.064 0.000 1.872 71 A HA -0.029 4.290 4.320 -0.002 0.000 0.214 71 A C 2.175 179.672 177.584 -0.145 0.000 1.187 71 A CA 2.040 54.012 52.037 -0.108 0.000 0.614 71 A CB -1.208 17.708 19.000 -0.140 0.000 0.826 71 A HN 0.422 nan 8.150 nan 0.000 0.442 72 T N 0.962 115.372 114.554 -0.240 0.000 3.113 72 T HA 0.056 4.404 4.350 -0.002 0.000 0.263 72 T C 1.003 175.653 174.700 -0.085 0.000 1.143 72 T CA 1.207 63.171 62.100 -0.226 0.000 1.090 72 T CB -0.627 68.005 68.868 -0.393 0.000 0.922 72 T HN 1.462 nan 8.240 nan 0.000 0.521 73 S N -0.093 115.578 115.700 -0.048 0.000 3.614 73 S HA -0.172 4.297 4.470 -0.002 0.000 0.360 73 S C 0.120 174.729 174.600 0.015 0.000 1.023 73 S CA 0.022 58.216 58.200 -0.009 0.000 1.114 73 S CB -2.765 60.428 63.200 -0.012 0.000 0.907 73 S HN 0.350 nan 8.310 nan 0.000 0.470 74 V N 2.149 122.088 119.914 0.042 0.000 2.427 74 V HA 0.232 4.351 4.120 -0.002 0.000 0.268 74 V C 0.932 177.062 176.094 0.059 0.000 1.046 74 V CA 0.044 62.388 62.300 0.073 0.000 0.970 74 V CB 0.998 32.914 31.823 0.155 0.000 1.001 74 V HN 0.672 nan 8.190 nan 0.000 0.476 75 Q N 5.517 125.341 119.800 0.041 0.000 2.279 75 Q HA 0.537 4.876 4.340 -0.002 0.000 0.256 75 Q C -0.395 175.620 176.000 0.025 0.000 0.937 75 Q CA -0.266 55.556 55.803 0.032 0.000 0.933 75 Q CB 1.573 30.327 28.738 0.026 0.000 1.189 75 Q HN 0.619 nan 8.270 nan 0.000 0.417 76 R N 1.752 122.263 120.500 0.019 0.000 2.750 76 R HA 0.409 4.748 4.340 -0.002 0.000 0.281 76 R C -1.013 175.288 176.300 0.002 0.000 0.972 76 R CA -0.695 55.406 56.100 0.003 0.000 0.912 76 R CB 2.136 32.428 30.300 -0.013 0.000 1.187 76 R HN 0.521 nan 8.270 nan 0.000 0.464 77 Q N 3.135 122.933 119.800 -0.004 0.000 2.309 77 Q HA 0.340 4.678 4.340 -0.002 0.000 0.254 77 Q C -1.519 174.477 176.000 -0.006 0.000 0.938 77 Q CA -0.361 55.441 55.803 -0.003 0.000 0.789 77 Q CB 1.481 30.219 28.738 -0.000 0.000 1.313 77 Q HN 0.600 nan 8.270 nan 0.000 0.438 78 I N 5.402 125.970 120.570 -0.003 0.000 2.312 78 I HA 0.355 4.524 4.170 -0.002 0.000 0.290 78 I C -0.620 175.500 176.117 0.005 0.000 1.008 78 I CA -0.543 60.759 61.300 0.003 0.000 1.226 78 I CB 0.939 38.944 38.000 0.009 0.000 1.371 78 I HN 0.465 nan 8.210 nan 0.000 0.468 79 L N 6.342 127.569 121.223 0.008 0.000 2.341 79 L HA 0.491 4.830 4.340 -0.002 0.000 0.278 79 L C -0.294 176.595 176.870 0.031 0.000 1.005 79 L CA -0.607 54.237 54.840 0.006 0.000 0.818 79 L CB 2.048 44.099 42.059 -0.013 0.000 1.259 79 L HN 0.631 nan 8.230 nan 0.000 0.418 80 C N 1.401 120.720 119.300 0.031 0.000 2.351 80 C HA 0.260 4.719 4.460 -0.002 0.000 0.359 80 C C 1.537 176.578 174.990 0.085 0.000 1.193 80 C CA -0.353 58.703 59.018 0.063 0.000 2.270 80 C CB 0.860 28.628 27.740 0.048 0.000 2.369 80 C HN 0.857 nan 8.230 nan 0.000 0.553 81 Y N 1.749 122.059 120.300 0.017 0.000 2.263 81 Y HA -0.010 4.538 4.550 -0.002 0.000 0.292 81 Y C 2.217 178.129 175.900 0.020 0.000 1.130 81 Y CA 2.268 60.389 58.100 0.034 0.000 1.179 81 Y CB -0.350 38.133 38.460 0.038 0.000 0.998 81 Y HN 0.849 nan 8.280 nan 0.000 0.532 82 C N 0.731 120.093 119.300 0.103 0.000 3.440 82 C HA -0.140 4.319 4.460 -0.002 0.000 0.294 82 C C 2.563 177.526 174.990 -0.045 0.000 1.261 82 C CA 1.224 60.256 59.018 0.024 0.000 1.783 82 C CB -1.125 26.645 27.740 0.049 0.000 2.126 82 C HN 0.450 nan 8.230 nan 0.000 0.460 83 K N 1.079 121.467 120.400 -0.020 0.000 2.020 83 K HA -0.150 4.168 4.320 -0.002 0.000 0.212 83 K C 0.639 177.209 176.600 -0.051 0.000 1.050 83 K CA 1.617 57.886 56.287 -0.030 0.000 0.929 83 K CB -0.437 32.055 32.500 -0.013 0.000 0.714 83 K HN 0.597 nan 8.250 nan 0.000 0.443 84 D N 0.363 120.732 120.400 -0.052 0.000 2.706 84 D HA 0.149 4.787 4.640 -0.002 0.000 0.236 84 D C 0.900 177.140 176.300 -0.099 0.000 1.231 84 D CA 0.058 54.022 54.000 -0.061 0.000 0.828 84 D CB 0.641 41.417 40.800 -0.039 0.000 1.015 84 D HN 0.173 nan 8.370 nan 0.000 0.484 85 A N 1.019 123.748 122.820 -0.151 0.000 1.940 85 A HA -0.222 4.097 4.320 -0.002 0.000 0.219 85 A C 2.152 179.635 177.584 -0.168 0.000 1.176 85 A CA 1.165 53.050 52.037 -0.253 0.000 0.631 85 A CB -0.061 18.741 19.000 -0.331 0.000 0.814 85 A HN 0.111 nan 8.150 nan 0.000 0.446 86 K N -0.435 119.891 120.400 -0.122 0.000 2.062 86 K HA -0.098 4.220 4.320 -0.002 0.000 0.205 86 K C 1.812 178.385 176.600 -0.045 0.000 1.051 86 K CA 1.379 57.618 56.287 -0.079 0.000 0.941 86 K CB -0.172 32.288 32.500 -0.066 0.000 0.719 86 K HN 0.659 nan 8.250 nan 0.000 0.440 87 E N 0.896 121.049 120.200 -0.079 0.000 2.268 87 E HA -0.123 4.226 4.350 -0.002 0.000 0.195 87 E C 1.914 178.343 176.600 -0.285 0.000 0.995 87 E CA 0.546 56.861 56.400 -0.141 0.000 0.836 87 E CB -0.026 29.609 29.700 -0.109 0.000 0.763 87 E HN 0.207 nan 8.360 nan 0.000 0.491 88 I N 0.356 120.830 120.570 -0.161 0.000 2.179 88 I HA -0.260 3.908 4.170 -0.002 0.000 0.242 88 I C 1.637 177.595 176.117 -0.265 0.000 1.088 88 I CA 1.671 62.861 61.300 -0.184 0.000 1.357 88 I CB -0.843 37.162 38.000 0.008 0.000 1.051 88 I HN 0.180 nan 8.210 nan 0.000 0.409 89 Y N -0.846 119.329 120.300 -0.208 0.000 2.470 89 Y HA 0.053 4.602 4.550 -0.002 0.000 0.284 89 Y C -0.091 175.836 175.900 0.044 0.000 1.188 89 Y CA -0.556 57.508 58.100 -0.060 0.000 1.269 89 Y CB -0.368 38.074 38.460 -0.031 0.000 1.094 89 Y HN 0.026 nan 8.280 nan 0.000 0.518 90 Y N 0.049 120.412 120.300 0.104 0.000 3.001 90 Y HA -0.293 4.255 4.550 -0.002 0.000 0.199 90 Y C -0.237 175.700 175.900 0.061 0.000 1.320 90 Y CA 0.333 58.468 58.100 0.059 0.000 0.974 90 Y CB -1.537 36.943 38.460 0.034 0.000 1.291 90 Y HN 0.197 nan 8.280 nan 0.000 0.465 91 D N 0.753 121.237 120.400 0.141 0.000 2.460 91 D HA 0.635 5.274 4.640 -0.002 0.000 0.232 91 D C -0.858 175.476 176.300 0.056 0.000 1.079 91 D CA -0.241 53.814 54.000 0.090 0.000 0.864 91 D CB 0.766 41.595 40.800 0.049 0.000 1.048 91 D HN 0.009 nan 8.370 nan 0.000 0.523 92 V N 2.609 122.559 119.914 0.060 0.000 2.876 92 V HA 0.458 4.577 4.120 -0.002 0.000 0.312 92 V C -0.008 176.104 176.094 0.030 0.000 1.085 92 V CA -1.024 61.300 62.300 0.041 0.000 0.945 92 V CB 2.148 34.001 31.823 0.050 0.000 1.017 92 V HN 0.340 nan 8.190 nan 0.000 0.428 93 E N 2.599 122.810 120.200 0.019 0.000 2.266 93 E HA 0.621 4.970 4.350 -0.002 0.000 0.277 93 E C -2.107 174.501 176.600 0.015 0.000 1.018 93 E CA -1.087 55.322 56.400 0.014 0.000 0.840 93 E CB 0.778 30.482 29.700 0.008 0.000 1.082 93 E HN 0.607 nan 8.360 nan 0.000 0.395 326 D N 2.582 122.984 120.400 0.004 0.000 2.350 326 D HA 0.027 4.666 4.640 -0.002 0.000 0.216 326 D C 1.727 178.030 176.300 0.004 0.000 0.968 326 D CA 1.387 55.391 54.000 0.005 0.000 0.894 326 D CB 0.199 41.001 40.800 0.005 0.000 0.909 326 D HN 0.447 nan 8.370 nan 0.000 0.520 327 A N 0.263 123.084 122.820 0.001 0.000 1.997 327 A HA 0.104 4.423 4.320 -0.002 0.000 0.212 327 A C 2.132 179.714 177.584 -0.003 0.000 1.178 327 A CA -0.030 52.006 52.037 -0.002 0.000 0.698 327 A CB -0.373 18.625 19.000 -0.003 0.000 0.842 327 A HN 0.123 nan 8.150 nan 0.000 0.458 328 L N 0.463 121.685 121.223 -0.001 0.000 2.456 328 L HA -0.099 4.240 4.340 -0.002 0.000 0.224 328 L C 2.387 179.258 176.870 0.002 0.000 1.148 328 L CA 1.623 56.462 54.840 -0.002 0.000 0.825 328 L CB -0.069 41.989 42.059 -0.000 0.000 0.937 328 L HN 0.664 nan 8.230 nan 0.000 0.450 329 T N -6.345 108.213 114.554 0.007 0.000 2.969 329 T HA 0.029 4.378 4.350 -0.002 0.000 0.250 329 T C 1.694 176.404 174.700 0.017 0.000 1.021 329 T CA -0.288 61.823 62.100 0.018 0.000 1.003 329 T CB 0.076 68.960 68.868 0.026 0.000 1.040 329 T HN 0.022 nan 8.240 nan 0.000 0.492 330 K N 1.266 121.671 120.400 0.008 0.000 2.442 330 K HA -0.033 4.286 4.320 -0.002 0.000 0.198 330 K C 1.292 177.887 176.600 -0.008 0.000 1.042 330 K CA 1.049 57.339 56.287 0.005 0.000 0.958 330 K CB -0.008 32.494 32.500 0.002 0.000 0.766 330 K HN 0.413 nan 8.250 nan 0.000 0.474 331 D N 0.535 120.922 120.400 -0.021 0.000 2.137 331 D HA -0.128 4.511 4.640 -0.002 0.000 0.202 331 D C 1.907 178.158 176.300 -0.082 0.000 0.970 331 D CA 0.809 54.781 54.000 -0.048 0.000 0.837 331 D CB 0.086 40.856 40.800 -0.051 0.000 0.981 331 D HN 0.163 nan 8.370 nan 0.000 0.475 332 Q N 1.081 120.844 119.800 -0.062 0.000 1.985 332 Q HA -0.151 4.187 4.340 -0.002 0.000 0.207 332 Q C 2.345 178.326 176.000 -0.033 0.000 0.996 332 Q CA 1.226 56.977 55.803 -0.088 0.000 0.851 332 Q CB -0.440 28.340 28.738 0.069 0.000 0.921 332 Q HN 0.361 nan 8.270 nan 0.000 0.418 333 R N 0.466 121.015 120.500 0.082 0.000 2.094 333 R HA -0.178 4.160 4.340 -0.002 0.000 0.239 333 R C 2.389 178.730 176.300 0.067 0.000 1.137 333 R CA 1.459 57.634 56.100 0.125 0.000 0.943 333 R CB -0.723 29.624 30.300 0.078 0.000 0.850 333 R HN 0.304 nan 8.270 nan 0.000 0.433 334 A N 1.710 124.533 122.820 0.005 0.000 1.884 334 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 334 A C 2.175 179.728 177.584 -0.052 0.000 1.197 334 A CA 1.669 53.696 52.037 -0.017 0.000 0.637 334 A CB -0.728 18.253 19.000 -0.032 0.000 0.827 334 A HN 0.293 nan 8.150 nan 0.000 0.450 335 L N -1.226 119.908 121.223 -0.148 0.000 2.013 335 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 335 L C 2.201 178.942 176.870 -0.216 0.000 1.073 335 L CA 2.102 56.782 54.840 -0.266 0.000 0.753 335 L CB -0.838 40.914 42.059 -0.512 0.000 0.890 335 L HN 0.425 nan 8.230 nan 0.000 0.432 336 F N -0.745 119.200 119.950 -0.008 0.000 2.416 336 F HA -0.050 4.476 4.527 -0.002 0.000 0.296 336 F C 2.474 178.270 175.800 -0.006 0.000 1.099 336 F CA 0.794 58.789 58.000 -0.008 0.000 1.427 336 F CB -0.149 38.846 39.000 -0.008 0.000 1.079 336 F HN 0.040 nan 8.300 nan 0.000 0.536 337 K N 0.626 121.124 120.400 0.163 0.000 2.097 337 K HA -0.209 4.110 4.320 -0.002 0.000 0.206 337 K C 1.932 178.571 176.600 0.066 0.000 1.049 337 K CA 1.490 57.833 56.287 0.093 0.000 0.933 337 K CB -0.040 32.494 32.500 0.058 0.000 0.717 337 K HN 0.301 nan 8.250 nan 0.000 0.442 338 Q N -0.210 119.616 119.800 0.044 0.000 2.079 338 Q HA -0.165 4.174 4.340 -0.002 0.000 0.200 338 Q C 2.225 178.250 176.000 0.042 0.000 0.974 338 Q CA 0.979 56.798 55.803 0.026 0.000 0.840 338 Q CB -0.030 28.707 28.738 -0.002 0.000 0.898 338 Q HN 0.326 nan 8.270 nan 0.000 0.430 339 Q N 0.877 120.717 119.800 0.067 0.000 2.029 339 Q HA -0.210 4.128 4.340 -0.002 0.000 0.209 339 Q C 2.231 178.279 176.000 0.079 0.000 0.999 339 Q CA 1.336 57.194 55.803 0.092 0.000 0.857 339 Q CB -0.506 28.356 28.738 0.207 0.000 0.926 339 Q HN 0.432 nan 8.270 nan 0.000 0.415 340 L N 0.992 122.268 121.223 0.088 0.000 2.013 340 L HA -0.238 4.100 4.340 -0.002 0.000 0.212 340 L C 2.355 179.255 176.870 0.051 0.000 1.073 340 L CA 1.448 56.325 54.840 0.061 0.000 0.753 340 L CB -0.187 41.905 42.059 0.056 0.000 0.890 340 L HN 0.223 nan 8.230 nan 0.000 0.432 341 E N 0.284 120.512 120.200 0.047 0.000 2.051 341 E HA -0.247 4.102 4.350 -0.002 0.000 0.192 341 E C 2.116 178.744 176.600 0.047 0.000 0.991 341 E CA 2.029 58.453 56.400 0.040 0.000 0.799 341 E CB -0.355 29.364 29.700 0.032 0.000 0.748 341 E HN 0.777 nan 8.360 nan 0.000 0.449 342 I N -1.671 118.928 120.570 0.047 0.000 2.676 342 I HA -0.093 4.076 4.170 -0.002 0.000 0.259 342 I C 2.301 178.466 176.117 0.080 0.000 1.194 342 I CA 0.792 62.124 61.300 0.054 0.000 1.473 342 I CB -0.336 37.685 38.000 0.035 0.000 1.096 342 I HN -0.080 nan 8.210 nan 0.000 0.443 343 I N 2.015 122.628 120.570 0.072 0.000 2.233 343 I HA -0.158 4.011 4.170 -0.002 0.000 0.243 343 I C 3.071 179.271 176.117 0.139 0.000 1.093 343 I CA 1.202 62.560 61.300 0.097 0.000 1.380 343 I CB -0.582 37.456 38.000 0.062 0.000 1.067 343 I HN 0.280 nan 8.210 nan 0.000 0.413 344 A N 1.210 124.083 122.820 0.088 0.000 1.892 344 A HA -0.287 4.032 4.320 -0.002 0.000 0.218 344 A C 2.452 180.079 177.584 0.073 0.000 1.188 344 A CA 2.108 54.187 52.037 0.069 0.000 0.631 344 A CB -0.813 18.214 19.000 0.044 0.000 0.822 344 A HN 0.355 nan 8.150 nan 0.000 0.447 345 R N -2.022 118.524 120.500 0.078 0.000 2.117 345 R HA -0.232 4.106 4.340 -0.002 0.000 0.243 345 R C 2.072 178.425 176.300 0.089 0.000 1.143 345 R CA 2.160 58.301 56.100 0.069 0.000 0.968 345 R CB -0.511 29.830 30.300 0.068 0.000 0.863 345 R HN 0.667 nan 8.270 nan 0.000 0.444 346 Y N 0.687 120.991 120.300 0.007 0.000 2.242 346 Y HA -0.064 4.485 4.550 -0.002 0.000 0.291 346 Y C 1.506 177.408 175.900 0.005 0.000 1.137 346 Y CA 1.401 59.504 58.100 0.006 0.000 1.181 346 Y CB 0.022 38.486 38.460 0.007 0.000 0.989 346 Y HN 0.036 nan 8.280 nan 0.000 0.527 347 L N 0.765 121.992 121.223 0.005 0.000 2.599 347 L HA -0.012 4.327 4.340 -0.002 0.000 0.230 347 L C 0.330 177.152 176.870 -0.081 0.000 1.141 347 L CA 0.314 55.110 54.840 -0.073 0.000 0.877 347 L CB -0.354 41.731 42.059 0.043 0.000 1.009 347 L HN 0.022 nan 8.230 nan 0.000 0.447 348 K N 1.349 121.709 120.400 -0.067 0.000 3.257 348 K HA -0.178 4.140 4.320 -0.002 0.000 0.270 348 K C -0.385 176.200 176.600 -0.024 0.000 0.984 348 K CA 1.078 57.336 56.287 -0.049 0.000 0.739 348 K CB -1.692 30.764 32.500 -0.075 0.000 1.351 348 K HN 0.547 nan 8.250 nan 0.000 0.463 349 M N -1.472 118.125 119.600 -0.005 0.000 2.213 349 M HA 0.383 4.862 4.480 -0.002 0.000 0.286 349 M C -0.569 175.735 176.300 0.008 0.000 1.008 349 M CA -0.961 54.340 55.300 0.001 0.000 0.937 349 M CB 2.253 34.856 32.600 0.004 0.000 1.600 349 M HN -0.114 nan 8.290 nan 0.000 0.450 350 D N 3.628 124.032 120.400 0.006 0.000 2.358 350 D HA 0.233 4.872 4.640 -0.002 0.000 0.258 350 D C 0.672 176.978 176.300 0.009 0.000 1.223 350 D CA -0.088 53.917 54.000 0.009 0.000 0.886 350 D CB 0.959 41.764 40.800 0.009 0.000 1.120 350 D HN 0.825 nan 8.370 nan 0.000 0.482 351 L N 3.299 124.528 121.223 0.010 0.000 2.109 351 L HA -0.053 4.286 4.340 -0.002 0.000 0.207 351 L C 1.859 178.731 176.870 0.004 0.000 1.086 351 L CA 0.745 55.589 54.840 0.007 0.000 0.760 351 L CB -0.149 41.914 42.059 0.008 0.000 0.910 351 L HN 0.227 nan 8.230 nan 0.000 0.437 352 R N 0.140 120.643 120.500 0.005 0.000 2.320 352 R HA 0.152 4.491 4.340 -0.002 0.000 0.211 352 R C 1.991 178.298 176.300 0.013 0.000 0.931 352 R CA 0.525 56.627 56.100 0.004 0.000 1.071 352 R CB -0.237 30.066 30.300 0.005 0.000 1.025 352 R HN 0.211 nan 8.270 nan 0.000 0.495 353 A N -0.055 122.774 122.820 0.015 0.000 2.070 353 A HA -0.047 4.272 4.320 -0.002 0.000 0.220 353 A C 2.101 179.705 177.584 0.032 0.000 1.159 353 A CA 1.665 53.715 52.037 0.021 0.000 0.656 353 A CB -0.608 18.402 19.000 0.016 0.000 0.800 353 A HN 0.427 nan 8.150 nan 0.000 0.453 354 G N -0.260 108.556 108.800 0.027 0.000 2.408 354 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.213 354 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.213 354 G C 1.123 176.063 174.900 0.066 0.000 1.177 354 G CA 0.900 46.024 45.100 0.041 0.000 0.802 354 G HN 0.507 nan 8.290 nan 0.000 0.533 355 D N 0.912 121.327 120.400 0.024 0.000 2.178 355 D HA -0.080 4.559 4.640 -0.002 0.000 0.201 355 D C 2.297 178.663 176.300 0.109 0.000 0.980 355 D CA 0.749 54.756 54.000 0.013 0.000 0.842 355 D CB 0.002 40.776 40.800 -0.044 0.000 0.948 355 D HN 0.295 nan 8.370 nan 0.000 0.472 356 K N 0.936 121.383 120.400 0.079 0.000 2.002 356 K HA -0.062 4.256 4.320 -0.002 0.000 0.209 356 K C 2.252 178.912 176.600 0.100 0.000 1.048 356 K CA 1.059 57.394 56.287 0.080 0.000 0.930 356 K CB -0.138 32.391 32.500 0.047 0.000 0.714 356 K HN 0.005 nan 8.250 nan 0.000 0.438 357 A N 0.891 123.768 122.820 0.095 0.000 2.067 357 A HA -0.145 4.174 4.320 -0.002 0.000 0.219 357 A C 1.908 179.556 177.584 0.108 0.000 1.158 357 A CA 0.935 53.019 52.037 0.079 0.000 0.661 357 A CB -0.581 18.456 19.000 0.062 0.000 0.801 357 A HN 0.399 nan 8.150 nan 0.000 0.452 358 F N 0.141 120.090 119.950 -0.001 0.000 2.098 358 F HA -0.106 4.420 4.527 -0.002 0.000 0.294 358 F C 2.144 177.944 175.800 -0.000 0.000 1.107 358 F CA 1.850 59.849 58.000 -0.001 0.000 1.234 358 F CB -0.366 38.634 39.000 -0.001 0.000 1.002 358 F HN -0.001 nan 8.300 nan 0.000 0.472 359 V N 1.232 121.374 119.914 0.380 0.000 2.317 359 V HA -0.418 3.701 4.120 -0.002 0.000 0.251 359 V C 2.775 178.861 176.094 -0.014 0.000 1.065 359 V CA 2.059 64.469 62.300 0.183 0.000 1.049 359 V CB -1.550 30.382 31.823 0.181 0.000 0.651 359 V HN 0.592 nan 8.190 nan 0.000 0.450 360 A N 0.064 122.885 122.820 0.002 0.000 1.865 360 A HA -0.265 4.054 4.320 -0.002 0.000 0.217 360 A C 2.581 180.120 177.584 -0.075 0.000 1.191 360 A CA 2.747 54.769 52.037 -0.025 0.000 0.623 360 A CB -0.982 18.017 19.000 -0.002 0.000 0.826 360 A HN 0.707 nan 8.150 nan 0.000 0.444 361 S N -1.020 114.610 115.700 -0.117 0.000 2.423 361 S HA -0.160 4.309 4.470 -0.002 0.000 0.231 361 S C 1.821 176.304 174.600 -0.195 0.000 1.014 361 S CA 1.283 59.400 58.200 -0.139 0.000 0.965 361 S CB -0.448 62.668 63.200 -0.140 0.000 0.785 361 S HN 0.599 nan 8.310 nan 0.000 0.495 362 Q N -0.038 119.579 119.800 -0.305 0.000 2.488 362 Q HA 0.046 4.385 4.340 -0.002 0.000 0.211 362 Q C 1.618 177.531 176.000 -0.145 0.000 0.967 362 Q CA 0.611 56.236 55.803 -0.297 0.000 0.926 362 Q CB 0.041 28.491 28.738 -0.480 0.000 0.992 362 Q HN 0.638 nan 8.270 nan 0.000 0.506 363 E N -0.405 119.734 120.200 -0.102 0.000 2.075 363 E HA 0.007 4.356 4.350 -0.002 0.000 0.190 363 E C 1.862 178.433 176.600 -0.048 0.000 0.969 363 E CA 0.495 56.861 56.400 -0.056 0.000 0.815 363 E CB 0.191 29.871 29.700 -0.035 0.000 0.776 363 E HN 0.093 nan 8.360 nan 0.000 0.457 364 S N 1.298 116.966 115.700 -0.053 0.000 2.447 364 S HA -0.098 4.371 4.470 -0.002 0.000 0.233 364 S C 1.685 176.260 174.600 -0.042 0.000 1.006 364 S CA 0.524 58.700 58.200 -0.040 0.000 0.957 364 S CB -0.024 63.153 63.200 -0.039 0.000 0.773 364 S HN 0.231 nan 8.310 nan 0.000 0.507 365 Q N 0.220 119.983 119.800 -0.062 0.000 2.482 365 Q HA 0.085 4.423 4.340 -0.002 0.000 0.209 365 Q C 1.480 177.457 176.000 -0.039 0.000 0.961 365 Q CA 0.561 56.330 55.803 -0.058 0.000 0.945 365 Q CB 0.144 28.829 28.738 -0.088 0.000 1.012 365 Q HN 0.457 nan 8.270 nan 0.000 0.515 366 K N -1.216 119.165 120.400 -0.032 0.000 2.262 366 K HA 0.150 4.469 4.320 -0.002 0.000 0.200 366 K C 1.859 178.454 176.600 -0.008 0.000 1.058 366 K CA 0.609 56.885 56.287 -0.019 0.000 0.974 366 K CB 0.229 32.717 32.500 -0.019 0.000 0.910 366 K HN 0.023 nan 8.250 nan 0.000 0.484 367 A N 1.784 124.598 122.820 -0.009 0.000 2.024 367 A HA -0.126 4.193 4.320 -0.002 0.000 0.220 367 A C 1.974 179.564 177.584 0.010 0.000 1.164 367 A CA 1.120 53.157 52.037 -0.001 0.000 0.643 367 A CB -0.512 18.486 19.000 -0.004 0.000 0.806 367 A HN 0.124 nan 8.150 nan 0.000 0.451 368 L N -1.403 119.823 121.223 0.006 0.000 1.950 368 L HA -0.218 4.120 4.340 -0.002 0.000 0.210 368 L C 2.816 179.705 176.870 0.031 0.000 1.079 368 L CA 2.142 56.992 54.840 0.017 0.000 0.754 368 L CB -0.930 41.130 42.059 0.001 0.000 0.889 368 L HN 0.472 nan 8.230 nan 0.000 0.433 369 Q N -0.152 119.659 119.800 0.018 0.000 2.268 369 Q HA -0.225 4.114 4.340 -0.002 0.000 0.210 369 Q C 1.918 177.938 176.000 0.033 0.000 0.988 369 Q CA 1.918 57.736 55.803 0.025 0.000 0.883 369 Q CB -0.163 28.581 28.738 0.010 0.000 0.911 369 Q HN 0.510 nan 8.270 nan 0.000 0.430 370 A N 0.056 122.891 122.820 0.025 0.000 1.835 370 A HA -0.279 4.039 4.320 -0.002 0.000 0.215 370 A C 2.051 179.655 177.584 0.033 0.000 1.199 370 A CA 1.741 53.791 52.037 0.020 0.000 0.615 370 A CB -0.854 18.151 19.000 0.009 0.000 0.838 370 A HN 0.569 nan 8.150 nan 0.000 0.444 371 Q N -1.044 118.786 119.800 0.050 0.000 2.079 371 Q HA -0.154 4.185 4.340 -0.002 0.000 0.200 371 Q C 2.084 178.193 176.000 0.182 0.000 0.974 371 Q CA 1.533 57.382 55.803 0.077 0.000 0.840 371 Q CB -0.208 28.596 28.738 0.109 0.000 0.898 371 Q HN 0.566 nan 8.270 nan 0.000 0.430 372 L N 1.276 122.613 121.223 0.190 0.000 2.042 372 L HA -0.224 4.115 4.340 -0.002 0.000 0.210 372 L C 1.527 178.515 176.870 0.196 0.000 1.076 372 L CA 1.973 56.950 54.840 0.227 0.000 0.749 372 L CB -0.305 41.819 42.059 0.108 0.000 0.893 372 L HN 0.173 nan 8.230 nan 0.000 0.432 373 D N -0.961 119.506 120.400 0.111 0.000 2.263 373 D HA -0.168 4.471 4.640 -0.002 0.000 0.208 373 D C 1.995 178.339 176.300 0.074 0.000 0.971 373 D CA 0.983 55.031 54.000 0.080 0.000 0.867 373 D CB -0.075 40.751 40.800 0.043 0.000 0.929 373 D HN 0.285 nan 8.370 nan 0.000 0.492 374 L N -0.632 120.620 121.223 0.049 0.000 1.973 374 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 374 L C 1.886 178.765 176.870 0.014 0.000 1.073 374 L CA 1.682 56.498 54.840 -0.041 0.000 0.746 374 L CB -0.931 41.017 42.059 -0.184 0.000 0.891 374 L HN 0.072 nan 8.230 nan 0.000 0.433 375 W N -0.087 121.236 121.300 0.039 0.000 2.304 375 W HA -0.281 4.377 4.660 -0.002 0.000 0.315 375 W C 2.701 179.276 176.519 0.093 0.000 1.233 375 W CA 1.337 58.709 57.345 0.046 0.000 1.261 375 W CB -0.604 28.829 29.460 -0.046 0.000 1.150 375 W HN 0.241 nan 8.180 nan 0.000 0.494 376 Q N -0.243 119.736 119.800 0.299 0.000 2.181 376 Q HA -0.187 4.152 4.340 -0.002 0.000 0.205 376 Q C 2.265 178.356 176.000 0.152 0.000 0.980 376 Q CA 1.991 57.909 55.803 0.191 0.000 0.862 376 Q CB -0.960 27.854 28.738 0.127 0.000 0.905 376 Q HN 0.426 nan 8.270 nan 0.000 0.429 377 A N 0.499 123.390 122.820 0.118 0.000 1.903 377 A HA -0.073 4.246 4.320 -0.002 0.000 0.213 377 A C 1.870 179.473 177.584 0.030 0.000 1.185 377 A CA 0.699 52.770 52.037 0.056 0.000 0.628 377 A CB -0.064 18.947 19.000 0.020 0.000 0.830 377 A HN 0.136 nan 8.150 nan 0.000 0.446 378 E N -0.512 119.718 120.200 0.050 0.000 2.347 378 E HA -0.124 4.225 4.350 -0.002 0.000 0.196 378 E C 0.957 177.381 176.600 -0.293 0.000 1.008 378 E CA 1.144 57.486 56.400 -0.096 0.000 0.852 378 E CB -0.102 29.542 29.700 -0.094 0.000 0.783 378 E HN 0.847 nan 8.360 nan 0.000 0.505 379 H N -1.782 117.255 119.070 -0.054 0.000 3.266 379 H HA 0.341 4.896 4.556 -0.002 0.000 0.246 379 H C 0.760 176.079 175.328 -0.015 0.000 0.998 379 H CA 0.519 56.483 56.048 -0.140 0.000 1.152 379 H CB 1.076 30.726 29.762 -0.188 0.000 1.466 379 H HN 0.184 nan 8.280 nan 0.000 0.481 380 G N 0.824 109.720 108.800 0.160 0.000 2.758 380 G HA2 -0.249 3.709 3.960 -0.002 0.000 0.686 380 G HA3 -0.249 3.709 3.960 -0.002 0.000 0.686 380 G C -0.031 174.966 174.900 0.160 0.000 1.389 380 G CA 0.007 45.184 45.100 0.128 0.000 0.845 380 G HN 0.226 nan 8.290 nan 0.000 0.572 381 D N -0.179 120.287 120.400 0.110 0.000 2.117 381 D HA -0.083 4.556 4.640 -0.002 0.000 0.197 381 D C 2.685 179.042 176.300 0.095 0.000 0.987 381 D CA 1.690 55.745 54.000 0.091 0.000 0.829 381 D CB -0.050 40.784 40.800 0.057 0.000 0.961 381 D HN 0.526 nan 8.370 nan 0.000 0.460 382 I N -0.262 120.368 120.570 0.101 0.000 2.315 382 I HA -0.247 3.922 4.170 -0.002 0.000 0.248 382 I C 2.375 178.553 176.117 0.102 0.000 1.117 382 I CA 0.806 62.155 61.300 0.082 0.000 1.404 382 I CB -0.388 37.658 38.000 0.077 0.000 1.071 382 I HN -0.026 nan 8.210 nan 0.000 0.419 383 Y N 1.922 122.252 120.300 0.048 0.000 2.200 383 Y HA -0.186 4.363 4.550 -0.002 0.000 0.290 383 Y C 2.602 178.518 175.900 0.027 0.000 1.137 383 Y CA 1.279 59.415 58.100 0.060 0.000 1.163 383 Y CB -0.178 38.359 38.460 0.128 0.000 0.988 383 Y HN 0.094 nan 8.280 nan 0.000 0.518 384 A N 0.777 123.737 122.820 0.234 0.000 1.883 384 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 384 A C 2.414 179.974 177.584 -0.040 0.000 1.186 384 A CA 2.199 54.294 52.037 0.097 0.000 0.624 384 A CB -1.590 17.470 19.000 0.099 0.000 0.822 384 A HN 0.624 nan 8.150 nan 0.000 0.444 385 A N -0.711 122.092 122.820 -0.027 0.000 1.877 385 A HA 0.120 4.438 4.320 -0.002 0.000 0.216 385 A C 2.375 179.890 177.584 -0.114 0.000 1.186 385 A CA 1.904 53.905 52.037 -0.060 0.000 0.620 385 A CB -1.349 17.632 19.000 -0.032 0.000 0.822 385 A HN 0.849 nan 8.150 nan 0.000 0.443 386 G N 0.139 108.849 108.800 -0.150 0.000 2.598 386 G HA2 0.063 4.021 3.960 -0.002 0.000 0.215 386 G HA3 0.063 4.021 3.960 -0.002 0.000 0.215 386 G C 1.200 175.929 174.900 -0.285 0.000 1.131 386 G CA 0.938 45.919 45.100 -0.198 0.000 0.785 386 G HN 0.788 nan 8.290 nan 0.000 0.539 387 I N -2.183 118.180 120.570 -0.345 0.000 3.875 387 I HA 0.340 4.509 4.170 -0.002 0.000 0.329 387 I C -0.085 175.890 176.117 -0.236 0.000 1.295 387 I CA -0.328 60.770 61.300 -0.337 0.000 1.129 387 I CB 0.249 38.005 38.000 -0.408 0.000 1.008 387 I HN -0.103 nan 8.210 nan 0.000 0.413 388 E N 4.050 124.133 120.200 -0.195 0.000 2.217 388 E HA 0.248 4.596 4.350 -0.002 0.000 0.279 388 E C -2.143 174.364 176.600 -0.155 0.000 1.068 388 E CA -1.921 54.384 56.400 -0.159 0.000 0.882 388 E CB 0.153 29.775 29.700 -0.129 0.000 1.039 388 E HN 0.141 nan 8.360 nan 0.000 0.418 389 P HA -0.099 nan 4.420 nan 0.000 0.266 389 P C -0.252 176.986 177.300 -0.104 0.000 1.193 389 P CA 0.424 63.449 63.100 -0.125 0.000 0.770 389 P CB 0.696 32.342 31.700 -0.091 0.000 0.836 390 A N 2.058 124.830 122.820 -0.079 0.000 2.664 390 A HA 0.186 4.505 4.320 -0.002 0.000 0.222 390 A C -0.039 177.537 177.584 -0.013 0.000 1.320 390 A CA -0.086 51.912 52.037 -0.065 0.000 1.029 390 A CB -0.398 18.562 19.000 -0.068 0.000 1.318 390 A HN 0.465 nan 8.150 nan 0.000 0.589 391 F N 1.654 121.551 119.950 -0.088 0.000 2.427 391 F HA 0.557 5.082 4.527 -0.003 0.000 0.352 391 F C -0.553 175.174 175.800 -0.121 0.000 1.100 391 F CA -0.412 57.557 58.000 -0.051 0.000 1.191 391 F CB 0.749 39.778 39.000 0.048 0.000 1.128 391 F HN 0.083 nan 8.300 nan 0.000 0.533 392 D N 8.350 128.068 120.400 -1.138 0.000 2.365 392 D HA 0.257 4.895 4.640 -0.002 0.000 0.235 392 D C -2.060 173.622 176.300 -1.030 0.000 1.368 392 D CA -1.914 51.532 54.000 -0.925 0.000 1.001 392 D CB 1.738 42.234 40.800 -0.506 0.000 1.364 392 D HN 0.207 nan 8.370 nan 0.000 0.577 393 P HA -0.153 nan 4.420 nan 0.000 0.221 393 P C 1.352 178.351 177.300 -0.501 0.000 1.141 393 P CA 0.835 63.406 63.100 -0.882 0.000 0.794 393 P CB 0.432 31.823 31.700 -0.516 0.000 0.764 394 L N -1.230 119.752 121.223 -0.401 0.000 2.341 394 L HA 0.048 4.386 4.340 -0.002 0.000 0.214 394 L C 2.150 178.866 176.870 -0.256 0.000 1.115 394 L CA 1.027 55.710 54.840 -0.262 0.000 0.820 394 L CB -0.634 41.297 42.059 -0.214 0.000 0.944 394 L HN -0.129 nan 8.230 nan 0.000 0.452 395 K N 0.714 120.906 120.400 -0.347 0.000 2.404 395 K HA 0.236 4.555 4.320 -0.002 0.000 0.194 395 K C 0.708 177.230 176.600 -0.130 0.000 1.023 395 K CA -0.205 55.885 56.287 -0.329 0.000 1.094 395 K CB 0.316 32.431 32.500 -0.643 0.000 0.841 395 K HN 0.162 nan 8.250 nan 0.000 0.523 396 A N 1.505 124.211 122.820 -0.191 0.000 2.440 396 A HA 0.284 4.603 4.320 -0.002 0.000 0.251 396 A C -0.285 177.251 177.584 -0.081 0.000 1.089 396 A CA -0.078 51.892 52.037 -0.113 0.000 0.779 396 A CB 0.282 19.168 19.000 -0.190 0.000 1.022 396 A HN 0.085 nan 8.150 nan 0.000 0.492 397 R N 1.295 121.726 120.500 -0.116 0.000 2.437 397 R HA 0.548 4.887 4.340 -0.002 0.000 0.310 397 R C -1.159 174.815 176.300 -0.543 0.000 0.955 397 R CA -0.639 55.271 56.100 -0.317 0.000 0.851 397 R CB 1.533 31.631 30.300 -0.337 0.000 1.161 397 R HN 0.407 nan 8.270 nan 0.000 0.446 398 V N 5.451 125.056 119.914 -0.514 0.000 2.370 398 V HA 0.392 4.511 4.120 -0.002 0.000 0.283 398 V C -1.018 174.738 176.094 -0.564 0.000 1.023 398 V CA -0.657 61.366 62.300 -0.461 0.000 0.857 398 V CB 0.972 32.671 31.823 -0.207 0.000 0.985 398 V HN 0.565 nan 8.190 nan 0.000 0.443 399 Y N 3.466 123.628 120.300 -0.230 0.000 2.331 399 Y HA 0.515 5.064 4.550 -0.001 0.000 0.338 399 Y C 0.546 176.014 175.900 -0.720 0.000 0.976 399 Y CA -1.372 56.486 58.100 -0.404 0.000 1.137 399 Y CB 1.425 39.585 38.460 -0.500 0.000 1.172 399 Y HN 0.847 nan 8.280 nan 0.000 0.478 400 D N -1.456 118.812 120.400 -0.221 0.000 2.475 400 D HA -0.017 4.622 4.640 -0.002 0.000 0.306 400 D C 0.150 176.613 176.300 0.272 0.000 1.304 400 D CA -0.043 53.954 54.000 -0.004 0.000 0.862 400 D CB -0.116 40.714 40.800 0.050 0.000 1.306 400 D HN 0.223 nan 8.370 nan 0.000 0.494 401 S N 0.652 116.478 115.700 0.210 0.000 4.069 401 S HA 0.163 4.632 4.470 -0.002 0.000 0.192 401 S C 1.548 175.888 174.600 -0.434 0.000 1.441 401 S CA 0.370 58.414 58.200 -0.260 0.000 0.994 401 S CB -0.751 62.103 63.200 -0.576 0.000 1.456 401 S HN 0.379 nan 8.310 nan 0.000 0.458 402 S N 3.355 119.056 115.700 0.001 0.000 2.368 402 S HA -0.126 4.342 4.470 -0.002 0.000 0.224 402 S C 2.020 176.519 174.600 -0.170 0.000 1.029 402 S CA 0.708 58.911 58.200 0.005 0.000 0.988 402 S CB -0.883 62.363 63.200 0.075 0.000 0.838 402 S HN 0.956 nan 8.310 nan 0.000 0.462 403 W N 2.350 123.611 121.300 -0.066 0.000 2.331 403 W HA -0.153 4.506 4.660 -0.003 0.000 0.291 403 W C 1.932 178.352 176.519 -0.166 0.000 1.214 403 W CA 1.099 58.388 57.345 -0.092 0.000 1.228 403 W CB -1.197 28.212 29.460 -0.084 0.000 1.135 403 W HN 0.454 nan 8.180 nan 0.000 0.537 404 N N 0.557 118.662 118.700 -0.992 0.000 2.197 404 N HA -0.131 4.607 4.740 -0.002 0.000 0.184 404 N C 1.726 176.910 175.510 -0.544 0.000 1.030 404 N CA 1.455 53.931 53.050 -0.957 0.000 0.851 404 N CB -0.897 36.497 38.487 -1.823 0.000 1.003 404 N HN 0.234 nan 8.380 nan 0.000 0.430 405 W N 1.843 122.975 121.300 -0.281 0.000 2.359 405 W HA -0.101 4.557 4.660 -0.002 0.000 0.275 405 W C 2.467 178.926 176.519 -0.100 0.000 1.217 405 W CA 0.259 57.503 57.345 -0.167 0.000 1.196 405 W CB -0.168 29.191 29.460 -0.169 0.000 1.129 405 W HN 0.178 nan 8.180 nan 0.000 0.566 406 A N 1.735 124.603 122.820 0.080 0.000 1.824 406 A HA -0.230 4.088 4.320 -0.002 0.000 0.215 406 A C 1.910 179.560 177.584 0.110 0.000 1.209 406 A CA 1.995 54.084 52.037 0.087 0.000 0.614 406 A CB -1.059 17.990 19.000 0.081 0.000 0.852 406 A HN 0.300 nan 8.150 nan 0.000 0.447 407 R N -0.317 120.216 120.500 0.055 0.000 2.185 407 R HA -0.235 4.104 4.340 -0.002 0.000 0.247 407 R C 2.449 178.828 176.300 0.132 0.000 1.159 407 R CA 1.775 57.892 56.100 0.028 0.000 0.988 407 R CB -0.434 29.552 30.300 -0.525 0.000 0.871 407 R HN 0.839 nan 8.270 nan 0.000 0.458 408 Q N 1.220 121.074 119.800 0.089 0.000 1.990 408 Q HA -0.176 4.163 4.340 -0.002 0.000 0.200 408 Q C 1.080 177.172 176.000 0.154 0.000 0.980 408 Q CA 1.975 57.863 55.803 0.142 0.000 0.832 408 Q CB 0.024 28.884 28.738 0.203 0.000 0.897 408 Q HN 0.212 nan 8.270 nan 0.000 0.427 409 D N 0.340 120.821 120.400 0.135 0.000 2.218 409 D HA -0.116 4.523 4.640 -0.002 0.000 0.204 409 D C 1.515 177.884 176.300 0.115 0.000 0.976 409 D CA 1.177 55.235 54.000 0.097 0.000 0.853 409 D CB -0.088 40.751 40.800 0.066 0.000 0.939 409 D HN 0.447 nan 8.370 nan 0.000 0.481 410 A N 0.537 123.450 122.820 0.156 0.000 1.821 410 A HA -0.096 4.223 4.320 -0.002 0.000 0.215 410 A C 2.119 179.798 177.584 0.159 0.000 1.214 410 A CA 0.952 53.090 52.037 0.167 0.000 0.608 410 A CB -1.112 18.034 19.000 0.243 0.000 0.862 410 A HN 0.292 nan 8.150 nan 0.000 0.448 411 L N -0.239 121.105 121.223 0.202 0.000 2.189 411 L HA -0.172 4.166 4.340 -0.002 0.000 0.214 411 L C 2.623 179.642 176.870 0.249 0.000 1.097 411 L CA 1.948 56.855 54.840 0.111 0.000 0.764 411 L CB -0.168 41.996 42.059 0.176 0.000 0.900 411 L HN 0.464 nan 8.230 nan 0.000 0.436 412 S N -0.612 115.212 115.700 0.207 0.000 2.368 412 S HA -0.256 4.213 4.470 -0.002 0.000 0.224 412 S C 2.043 176.762 174.600 0.200 0.000 1.029 412 S CA 1.589 59.901 58.200 0.188 0.000 0.988 412 S CB -0.244 63.017 63.200 0.102 0.000 0.838 412 S HN 0.580 nan 8.310 nan 0.000 0.462 413 M N -0.198 119.494 119.600 0.155 0.000 2.117 413 M HA -0.103 4.376 4.480 -0.002 0.000 0.262 413 M C 1.871 178.256 176.300 0.142 0.000 1.065 413 M CA 1.850 57.221 55.300 0.119 0.000 1.114 413 M CB -0.500 32.146 32.600 0.077 0.000 1.361 413 M HN 0.596 nan 8.290 nan 0.000 0.408 414 Y N 0.344 120.642 120.300 -0.004 0.000 2.002 414 Y HA -0.412 4.137 4.550 -0.002 0.000 0.268 414 Y C 1.821 177.652 175.900 -0.115 0.000 1.177 414 Y CA 2.579 60.611 58.100 -0.113 0.000 1.111 414 Y CB -0.825 37.498 38.460 -0.227 0.000 0.952 414 Y HN 0.277 nan 8.280 nan 0.000 0.491 415 Y N 0.588 121.185 120.300 0.496 0.000 2.224 415 Y HA -0.267 4.282 4.550 -0.002 0.000 0.289 415 Y C 2.388 178.489 175.900 0.335 0.000 1.146 415 Y CA 1.407 59.771 58.100 0.440 0.000 1.182 415 Y CB -0.615 38.090 38.460 0.408 0.000 0.983 415 Y HN 0.245 nan 8.280 nan 0.000 0.524 416 D N 0.277 120.869 120.400 0.320 0.000 2.133 416 D HA -0.211 4.428 4.640 -0.002 0.000 0.195 416 D C 2.154 178.534 176.300 0.134 0.000 0.997 416 D CA 1.460 55.573 54.000 0.188 0.000 0.840 416 D CB -0.353 40.507 40.800 0.100 0.000 0.947 416 D HN 0.339 nan 8.370 nan 0.000 0.452 417 I N 0.621 121.209 120.570 0.030 0.000 2.202 417 I HA -0.199 3.970 4.170 -0.002 0.000 0.242 417 I C 2.286 178.324 176.117 -0.132 0.000 1.091 417 I CA 0.586 61.843 61.300 -0.073 0.000 1.368 417 I CB -0.037 37.864 38.000 -0.166 0.000 1.058 417 I HN -0.031 nan 8.210 nan 0.000 0.410 418 I N -0.100 120.319 120.570 -0.252 0.000 2.530 418 I HA -0.286 3.882 4.170 -0.002 0.000 0.257 418 I C 1.552 177.384 176.117 -0.474 0.000 1.179 418 I CA 1.662 62.649 61.300 -0.522 0.000 1.440 418 I CB -0.320 37.197 38.000 -0.805 0.000 1.087 418 I HN 0.194 nan 8.210 nan 0.000 0.440 419 F N -0.166 119.743 119.950 -0.068 0.000 2.706 419 F HA 0.321 4.847 4.527 -0.002 0.000 0.308 419 F C 1.779 177.569 175.800 -0.016 0.000 1.095 419 F CA 0.515 58.508 58.000 -0.012 0.000 1.244 419 F CB 0.424 39.441 39.000 0.028 0.000 1.063 419 F HN 0.103 nan 8.300 nan 0.000 0.582 420 G N 0.710 109.575 108.800 0.108 0.000 2.157 420 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.248 420 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.248 420 G C 1.309 176.243 174.900 0.057 0.000 0.979 420 G CA 0.442 45.574 45.100 0.052 0.000 0.650 420 G HN 0.335 nan 8.290 nan 0.000 0.529 421 R N -0.746 119.804 120.500 0.083 0.000 2.117 421 R HA 0.091 4.429 4.340 -0.002 0.000 0.243 421 R C 1.160 177.473 176.300 0.022 0.000 1.143 421 R CA 1.009 57.135 56.100 0.043 0.000 0.968 421 R CB -0.076 30.246 30.300 0.037 0.000 0.863 421 R HN 0.429 nan 8.270 nan 0.000 0.444 422 L N 1.686 122.923 121.223 0.022 0.000 2.280 422 L HA 0.340 4.679 4.340 -0.002 0.000 0.287 422 L C -0.267 176.598 176.870 -0.008 0.000 1.023 422 L CA -0.468 54.373 54.840 0.002 0.000 0.819 422 L CB 1.578 43.636 42.059 -0.001 0.000 1.212 422 L HN 0.086 nan 8.230 nan 0.000 0.420 423 R N 1.821 122.315 120.500 -0.011 0.000 2.540 423 R HA 0.292 4.631 4.340 -0.002 0.000 0.287 423 R C 1.055 177.343 176.300 -0.020 0.000 0.980 423 R CA -0.732 55.358 56.100 -0.016 0.000 0.966 423 R CB 1.985 32.278 30.300 -0.012 0.000 1.106 423 R HN 0.415 nan 8.270 nan 0.000 0.480 424 V N 1.397 121.297 119.914 -0.024 0.000 2.453 424 V HA -0.251 3.868 4.120 -0.002 0.000 0.252 424 V C 2.164 178.246 176.094 -0.020 0.000 1.068 424 V CA 1.554 63.840 62.300 -0.024 0.000 1.070 424 V CB -0.964 30.843 31.823 -0.026 0.000 0.664 424 V HN 0.611 nan 8.190 nan 0.000 0.461 425 V N -0.093 119.810 119.914 -0.018 0.000 2.221 425 V HA -0.257 3.862 4.120 -0.002 0.000 0.244 425 V C 0.873 176.957 176.094 -0.016 0.000 1.043 425 V CA 1.463 63.754 62.300 -0.016 0.000 0.996 425 V CB -1.030 30.784 31.823 -0.015 0.000 0.636 425 V HN 0.538 nan 8.190 nan 0.000 0.454 426 D N 0.876 121.266 120.400 -0.016 0.000 4.262 426 D HA -0.138 4.501 4.640 -0.002 0.000 0.186 426 D C 1.384 177.674 176.300 -0.017 0.000 1.090 426 D CA 0.413 54.404 54.000 -0.016 0.000 0.711 426 D CB 0.148 40.939 40.800 -0.016 0.000 1.194 426 D HN 0.177 nan 8.370 nan 0.000 0.627 427 R N 2.739 123.229 120.500 -0.016 0.000 2.133 427 R HA -0.183 4.156 4.340 -0.002 0.000 0.247 427 R C 1.706 177.994 176.300 -0.021 0.000 1.151 427 R CA 0.902 56.992 56.100 -0.017 0.000 0.971 427 R CB -0.126 30.166 30.300 -0.013 0.000 0.866 427 R HN 0.555 nan 8.270 nan 0.000 0.447 428 E N 0.643 120.831 120.200 -0.021 0.000 2.095 428 E HA -0.243 4.106 4.350 -0.002 0.000 0.212 428 E C 2.078 178.665 176.600 -0.021 0.000 1.044 428 E CA 1.827 58.213 56.400 -0.022 0.000 0.857 428 E CB -0.451 29.236 29.700 -0.021 0.000 0.764 428 E HN 0.394 nan 8.360 nan 0.000 0.462 429 I N 0.618 121.177 120.570 -0.018 0.000 2.145 429 I HA -0.312 3.857 4.170 -0.002 0.000 0.244 429 I C 2.557 178.664 176.117 -0.016 0.000 1.075 429 I CA 1.035 62.326 61.300 -0.015 0.000 1.332 429 I CB -0.899 37.091 38.000 -0.017 0.000 1.033 429 I HN -0.048 nan 8.210 nan 0.000 0.410 430 V N 0.886 120.788 119.914 -0.020 0.000 2.215 430 V HA -0.352 3.767 4.120 -0.002 0.000 0.249 430 V C 2.633 178.710 176.094 -0.027 0.000 1.054 430 V CA 2.531 64.817 62.300 -0.023 0.000 1.012 430 V CB -0.984 30.823 31.823 -0.027 0.000 0.639 430 V HN 0.414 nan 8.190 nan 0.000 0.448 431 S N -0.696 114.984 115.700 -0.033 0.000 2.389 431 S HA -0.383 4.085 4.470 -0.002 0.000 0.229 431 S C 1.966 176.550 174.600 -0.026 0.000 1.048 431 S CA 2.284 60.462 58.200 -0.037 0.000 1.117 431 S CB -0.591 62.586 63.200 -0.040 0.000 1.020 431 S HN 0.665 nan 8.310 nan 0.000 0.430 432 Q N -0.244 119.543 119.800 -0.021 0.000 2.096 432 Q HA -0.216 4.122 4.340 -0.002 0.000 0.208 432 Q C 2.585 178.584 176.000 -0.002 0.000 0.993 432 Q CA 1.803 57.599 55.803 -0.012 0.000 0.862 432 Q CB -0.696 28.040 28.738 -0.005 0.000 0.915 432 Q HN 0.594 nan 8.270 nan 0.000 0.416 433 C N 0.362 119.661 119.300 -0.002 0.000 2.413 433 C HA -0.132 4.327 4.460 -0.002 0.000 0.277 433 C C 2.617 177.609 174.990 0.002 0.000 1.265 433 C CA 0.485 59.506 59.018 0.004 0.000 1.752 433 C CB -1.027 26.713 27.740 -0.001 0.000 1.998 433 C HN 0.456 nan 8.230 nan 0.000 0.489 434 I N 0.289 120.854 120.570 -0.009 0.000 2.252 434 I HA -0.226 3.943 4.170 -0.002 0.000 0.245 434 I C 2.549 178.664 176.117 -0.003 0.000 1.102 434 I CA 1.496 62.789 61.300 -0.011 0.000 1.385 434 I CB -0.740 37.244 38.000 -0.026 0.000 1.064 434 I HN 0.307 nan 8.210 nan 0.000 0.414 435 Q N 0.921 120.717 119.800 -0.005 0.000 2.172 435 Q HA -0.036 4.303 4.340 -0.002 0.000 0.200 435 Q C 2.231 178.236 176.000 0.008 0.000 0.964 435 Q CA 1.255 57.055 55.803 -0.006 0.000 0.855 435 Q CB -0.071 28.654 28.738 -0.022 0.000 0.918 435 Q HN 0.528 nan 8.270 nan 0.000 0.444 436 I N -0.324 120.257 120.570 0.019 0.000 2.394 436 I HA -0.268 3.901 4.170 -0.002 0.000 0.251 436 I C 2.008 178.149 176.117 0.040 0.000 1.136 436 I CA 0.953 62.278 61.300 0.040 0.000 1.425 436 I CB -0.265 37.766 38.000 0.052 0.000 1.079 436 I HN 0.299 nan 8.210 nan 0.000 0.425 437 M N 0.115 119.731 119.600 0.027 0.000 2.175 437 M HA -0.156 4.323 4.480 -0.002 0.000 0.264 437 M C 1.950 178.265 176.300 0.025 0.000 1.063 437 M CA 1.488 56.802 55.300 0.025 0.000 1.119 437 M CB -0.698 31.910 32.600 0.013 0.000 1.377 437 M HN 0.263 nan 8.290 nan 0.000 0.415 438 N N 1.285 119.996 118.700 0.019 0.000 2.166 438 N HA -0.095 4.644 4.740 -0.002 0.000 0.186 438 N C 0.321 175.846 175.510 0.026 0.000 1.019 438 N CA 1.032 54.092 53.050 0.018 0.000 0.856 438 N CB -0.173 38.321 38.487 0.011 0.000 0.993 438 N HN 0.413 nan 8.380 nan 0.000 0.426 439 R N 0.461 120.980 120.500 0.032 0.000 3.171 439 R HA 0.333 4.672 4.340 -0.002 0.000 0.241 439 R C -0.561 175.777 176.300 0.063 0.000 1.421 439 R CA -0.099 56.030 56.100 0.050 0.000 1.444 439 R CB 0.393 30.723 30.300 0.050 0.000 1.247 439 R HN -0.172 nan 8.270 nan 0.000 0.636 440 S N 2.731 118.465 115.700 0.056 0.000 2.474 440 S HA 0.271 4.740 4.470 -0.002 0.000 0.320 440 S C -0.330 174.304 174.600 0.057 0.000 1.067 440 S CA -0.877 57.358 58.200 0.058 0.000 1.127 440 S CB 0.288 63.515 63.200 0.044 0.000 0.971 440 S HN 0.449 nan 8.310 nan 0.000 0.472 441 N N 3.828 122.568 118.700 0.067 0.000 2.476 441 N HA 0.378 5.117 4.740 -0.002 0.000 0.276 441 N C -2.120 173.417 175.510 0.045 0.000 1.204 441 N CA -1.847 51.234 53.050 0.052 0.000 0.974 441 N CB 0.080 38.600 38.487 0.055 0.000 1.204 441 N HN 0.134 nan 8.380 nan 0.000 0.543 442 P HA -0.005 nan 4.420 nan 0.000 0.215 442 P C 1.280 178.602 177.300 0.036 0.000 1.157 442 P CA 1.027 64.143 63.100 0.026 0.000 0.859 442 P CB 0.174 31.878 31.700 0.007 0.000 0.786 443 L N -1.276 119.960 121.223 0.021 0.000 2.191 443 L HA -0.116 4.223 4.340 -0.002 0.000 0.212 443 L C 2.561 179.482 176.870 0.085 0.000 1.103 443 L CA 1.320 56.172 54.840 0.021 0.000 0.769 443 L CB -1.487 40.553 42.059 -0.032 0.000 0.908 443 L HN -0.056 nan 8.230 nan 0.000 0.438 444 L N -0.519 120.766 121.223 0.103 0.000 2.027 444 L HA -0.200 4.139 4.340 -0.002 0.000 0.206 444 L C 2.510 179.497 176.870 0.195 0.000 1.074 444 L CA 1.575 56.517 54.840 0.169 0.000 0.745 444 L CB -0.131 42.013 42.059 0.142 0.000 0.898 444 L HN 0.287 nan 8.230 nan 0.000 0.433 445 L N -0.213 121.087 121.223 0.128 0.000 1.990 445 L HA -0.293 4.046 4.340 -0.002 0.000 0.213 445 L C 2.566 179.513 176.870 0.127 0.000 1.072 445 L CA 1.680 56.587 54.840 0.111 0.000 0.755 445 L CB -0.722 41.382 42.059 0.075 0.000 0.889 445 L HN 0.320 nan 8.230 nan 0.000 0.432 446 E N -0.389 119.883 120.200 0.120 0.000 2.086 446 E HA -0.295 4.054 4.350 -0.002 0.000 0.200 446 E C 2.062 178.778 176.600 0.193 0.000 1.012 446 E CA 1.905 58.379 56.400 0.123 0.000 0.812 446 E CB -0.308 29.437 29.700 0.074 0.000 0.743 446 E HN 0.397 nan 8.360 nan 0.000 0.453 447 F N 1.348 121.345 119.950 0.078 0.000 2.113 447 F HA -0.185 4.341 4.527 -0.002 0.000 0.297 447 F C 2.276 178.219 175.800 0.238 0.000 1.103 447 F CA 1.268 59.356 58.000 0.146 0.000 1.248 447 F CB -0.171 38.883 39.000 0.091 0.000 0.999 447 F HN -0.082 nan 8.300 nan 0.000 0.475 448 M N -0.072 119.603 119.600 0.125 0.000 2.110 448 M HA -0.311 4.168 4.480 -0.002 0.000 0.257 448 M C 2.282 178.611 176.300 0.048 0.000 1.071 448 M CA 2.173 57.496 55.300 0.038 0.000 1.096 448 M CB -1.334 31.326 32.600 0.100 0.000 1.300 448 M HN 0.264 nan 8.290 nan 0.000 0.411 449 Q N -0.189 119.666 119.800 0.091 0.000 1.948 449 Q HA -0.215 4.124 4.340 -0.002 0.000 0.205 449 Q C 1.945 178.011 176.000 0.111 0.000 0.992 449 Q CA 2.282 58.141 55.803 0.094 0.000 0.849 449 Q CB -1.009 27.787 28.738 0.096 0.000 0.918 449 Q HN 0.495 nan 8.270 nan 0.000 0.421 450 Y N 0.227 120.523 120.300 -0.006 0.000 2.062 450 Y HA -0.396 4.152 4.550 -0.002 0.000 0.273 450 Y C 2.266 178.092 175.900 -0.123 0.000 1.206 450 Y CA 2.539 60.596 58.100 -0.072 0.000 1.125 450 Y CB -0.433 37.898 38.460 -0.216 0.000 0.951 450 Y HN 0.420 nan 8.280 nan 0.000 0.501 451 H N -0.840 118.271 119.070 0.067 0.000 2.421 451 H HA -0.175 4.379 4.556 -0.002 0.000 0.298 451 H C 2.307 177.650 175.328 0.026 0.000 1.087 451 H CA 1.588 57.589 56.048 -0.078 0.000 1.330 451 H CB 0.032 29.561 29.762 -0.389 0.000 1.388 451 H HN 0.366 nan 8.280 nan 0.000 0.526 452 I N 1.331 121.997 120.570 0.159 0.000 2.162 452 I HA -0.201 3.967 4.170 -0.002 0.000 0.238 452 I C 1.831 177.988 176.117 0.066 0.000 1.076 452 I CA 1.125 62.510 61.300 0.141 0.000 1.353 452 I CB -0.889 37.162 38.000 0.085 0.000 1.063 452 I HN 0.100 nan 8.210 nan 0.000 0.408 453 D N -0.036 120.378 120.400 0.023 0.000 2.203 453 D HA -0.220 4.418 4.640 -0.002 0.000 0.199 453 D C 1.779 177.994 176.300 -0.142 0.000 0.997 453 D CA 1.431 55.405 54.000 -0.043 0.000 0.863 453 D CB -0.308 40.481 40.800 -0.018 0.000 0.928 453 D HN 0.540 nan 8.370 nan 0.000 0.458 454 H N -1.455 117.461 119.070 -0.255 0.000 2.542 454 H HA 0.195 4.749 4.556 -0.002 0.000 0.283 454 H C 0.281 175.575 175.328 -0.057 0.000 1.059 454 H CA -0.581 55.333 56.048 -0.224 0.000 1.162 454 H CB 0.147 29.652 29.762 -0.427 0.000 1.539 454 H HN 0.074 nan 8.280 nan 0.000 0.543 455 C N 4.300 123.674 119.300 0.123 0.000 2.592 455 C HA 0.038 4.497 4.460 -0.002 0.000 0.408 455 C C -1.685 173.373 174.990 0.114 0.000 1.436 455 C CA -1.043 58.094 59.018 0.198 0.000 1.595 455 C CB -0.319 27.513 27.740 0.154 0.000 2.487 455 C HN 0.258 nan 8.230 nan 0.000 0.610 456 P HA 0.103 nan 4.420 nan 0.000 0.241 456 P C 1.078 178.286 177.300 -0.153 0.000 1.760 456 P CA 0.284 63.343 63.100 -0.068 0.000 1.081 456 P CB -0.122 31.465 31.700 -0.187 0.000 1.975 457 T N -1.390 113.137 114.554 -0.046 0.000 2.803 457 T HA -0.229 4.119 4.350 -0.002 0.000 0.269 457 T C 1.375 176.021 174.700 -0.090 0.000 1.052 457 T CA 1.064 63.148 62.100 -0.026 0.000 1.136 457 T CB -0.526 68.330 68.868 -0.021 0.000 0.864 457 T HN 0.340 nan 8.240 nan 0.000 0.467 458 E N 1.761 121.884 120.200 -0.129 0.000 2.515 458 E HA -0.095 4.253 4.350 -0.002 0.000 0.201 458 E C 1.795 178.290 176.600 -0.175 0.000 1.071 458 E CA 0.379 56.703 56.400 -0.126 0.000 0.880 458 E CB -0.329 29.305 29.700 -0.111 0.000 0.828 458 E HN 0.573 nan 8.360 nan 0.000 0.540 459 R N 0.289 120.610 120.500 -0.298 0.000 2.156 459 R HA 0.242 4.581 4.340 -0.002 0.000 0.207 459 R C 0.927 177.113 176.300 -0.190 0.000 1.040 459 R CA 0.873 56.753 56.100 -0.366 0.000 1.013 459 R CB 0.618 30.423 30.300 -0.825 0.000 0.931 459 R HN 0.224 nan 8.270 nan 0.000 0.465 460 G N -0.537 108.217 108.800 -0.076 0.000 2.356 460 G HA2 0.060 4.019 3.960 -0.002 0.000 0.294 460 G HA3 0.060 4.019 3.960 -0.002 0.000 0.294 460 G C -0.502 174.442 174.900 0.073 0.000 1.423 460 G CA -0.695 44.432 45.100 0.045 0.000 0.806 460 G HN -0.043 nan 8.290 nan 0.000 0.527 461 E N -0.453 119.769 120.200 0.036 0.000 2.017 461 E HA -0.169 4.180 4.350 -0.002 0.000 0.193 461 E C 2.800 179.400 176.600 -0.001 0.000 0.997 461 E CA 2.238 58.644 56.400 0.010 0.000 0.804 461 E CB -0.354 29.342 29.700 -0.006 0.000 0.757 461 E HN 0.663 nan 8.360 nan 0.000 0.448 462 T N 0.024 114.564 114.554 -0.024 0.000 2.624 462 T HA -0.320 4.028 4.350 -0.002 0.000 0.266 462 T C 1.878 176.477 174.700 -0.169 0.000 1.050 462 T CA 1.933 63.965 62.100 -0.114 0.000 1.163 462 T CB -1.053 67.707 68.868 -0.181 0.000 0.861 462 T HN 0.174 nan 8.240 nan 0.000 0.443 463 Y N 1.899 122.099 120.300 -0.166 0.000 2.181 463 Y HA -0.095 4.454 4.550 -0.002 0.000 0.288 463 Y C 3.133 178.936 175.900 -0.162 0.000 1.146 463 Y CA 1.622 59.609 58.100 -0.187 0.000 1.164 463 Y CB -0.699 37.680 38.460 -0.136 0.000 0.982 463 Y HN 0.244 nan 8.280 nan 0.000 0.515 464 Q N 0.264 120.092 119.800 0.046 0.000 1.967 464 Q HA -0.195 4.144 4.340 -0.002 0.000 0.202 464 Q C 2.206 178.175 176.000 -0.052 0.000 0.985 464 Q CA 1.628 57.426 55.803 -0.009 0.000 0.839 464 Q CB -0.847 27.885 28.738 -0.010 0.000 0.906 464 Q HN 0.400 nan 8.270 nan 0.000 0.423 465 L N 0.319 121.505 121.223 -0.061 0.000 2.103 465 L HA -0.231 4.108 4.340 -0.002 0.000 0.215 465 L C 1.956 178.756 176.870 -0.117 0.000 1.080 465 L CA 2.522 57.314 54.840 -0.079 0.000 0.764 465 L CB -1.413 40.600 42.059 -0.078 0.000 0.890 465 L HN 0.322 nan 8.230 nan 0.000 0.435 466 A N -0.491 122.219 122.820 -0.183 0.000 1.832 466 A HA -0.257 4.062 4.320 -0.002 0.000 0.214 466 A C 2.435 179.900 177.584 -0.198 0.000 1.200 466 A CA 1.803 53.675 52.037 -0.276 0.000 0.610 466 A CB -0.747 17.935 19.000 -0.530 0.000 0.842 466 A HN 0.481 nan 8.150 nan 0.000 0.444 467 K N -0.068 120.239 120.400 -0.156 0.000 2.160 467 K HA -0.226 4.093 4.320 -0.002 0.000 0.206 467 K C 1.854 178.422 176.600 -0.053 0.000 1.047 467 K CA 1.843 58.084 56.287 -0.077 0.000 0.930 467 K CB -0.159 32.319 32.500 -0.037 0.000 0.720 467 K HN 0.673 nan 8.250 nan 0.000 0.450 468 E N 0.460 120.625 120.200 -0.058 0.000 1.999 468 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 468 E C 2.091 178.668 176.600 -0.039 0.000 0.995 468 E CA 1.454 57.829 56.400 -0.042 0.000 0.825 468 E CB -0.222 29.453 29.700 -0.041 0.000 0.777 468 E HN 0.251 nan 8.360 nan 0.000 0.459 469 L N 0.859 122.052 121.223 -0.050 0.000 2.129 469 L HA -0.195 4.144 4.340 -0.002 0.000 0.212 469 L C 2.424 179.276 176.870 -0.030 0.000 1.087 469 L CA 1.216 56.032 54.840 -0.040 0.000 0.757 469 L CB -0.673 41.355 42.059 -0.051 0.000 0.896 469 L HN 0.276 nan 8.230 nan 0.000 0.434 470 G N -0.997 107.780 108.800 -0.038 0.000 2.524 470 G HA2 -0.361 3.597 3.960 -0.002 0.000 0.215 470 G HA3 -0.361 3.597 3.960 -0.002 0.000 0.215 470 G C 1.418 176.323 174.900 0.008 0.000 1.239 470 G CA 0.735 45.830 45.100 -0.008 0.000 0.798 470 G HN 0.266 nan 8.290 nan 0.000 0.557 471 Q N -0.028 119.773 119.800 0.002 0.000 2.197 471 Q HA -0.150 4.189 4.340 -0.002 0.000 0.207 471 Q C 2.478 178.481 176.000 0.005 0.000 0.984 471 Q CA 2.163 57.970 55.803 0.007 0.000 0.869 471 Q CB -0.453 28.285 28.738 -0.001 0.000 0.906 471 Q HN 0.617 nan 8.270 nan 0.000 0.426 472 Q N -0.273 119.526 119.800 -0.002 0.000 1.975 472 Q HA -0.173 4.166 4.340 -0.002 0.000 0.205 472 Q C 1.905 177.907 176.000 0.004 0.000 0.990 472 Q CA 1.994 57.796 55.803 -0.003 0.000 0.845 472 Q CB -0.791 27.941 28.738 -0.010 0.000 0.913 472 Q HN 0.477 nan 8.270 nan 0.000 0.420 473 L N 0.028 121.255 121.223 0.007 0.000 2.013 473 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 473 L C 2.219 179.103 176.870 0.024 0.000 1.073 473 L CA 1.811 56.660 54.840 0.015 0.000 0.753 473 L CB -0.480 41.591 42.059 0.020 0.000 0.890 473 L HN 0.474 nan 8.230 nan 0.000 0.432 474 I N -0.676 119.911 120.570 0.028 0.000 2.315 474 I HA -0.266 3.903 4.170 -0.002 0.000 0.251 474 I C 2.366 178.501 176.117 0.029 0.000 1.125 474 I CA 1.005 62.326 61.300 0.036 0.000 1.392 474 I CB -0.571 37.452 38.000 0.039 0.000 1.065 474 I HN 0.350 nan 8.210 nan 0.000 0.424 475 E N 1.006 121.218 120.200 0.020 0.000 2.046 475 E HA -0.133 4.215 4.350 -0.002 0.000 0.190 475 E C 1.926 178.535 176.600 0.015 0.000 0.982 475 E CA 1.002 57.411 56.400 0.015 0.000 0.800 475 E CB -0.506 29.200 29.700 0.009 0.000 0.756 475 E HN 0.521 nan 8.360 nan 0.000 0.449 476 N N 1.060 119.768 118.700 0.013 0.000 2.036 476 N HA -0.162 4.577 4.740 -0.002 0.000 0.195 476 N C 2.104 177.623 175.510 0.016 0.000 1.037 476 N CA 1.399 54.456 53.050 0.011 0.000 0.855 476 N CB -1.099 37.393 38.487 0.008 0.000 1.033 476 N HN 0.175 nan 8.380 nan 0.000 0.423 477 C N 1.237 120.551 119.300 0.023 0.000 2.403 477 C HA -0.083 4.376 4.460 -0.002 0.000 0.279 477 C C 2.446 177.453 174.990 0.028 0.000 1.269 477 C CA 0.424 59.460 59.018 0.030 0.000 1.774 477 C CB -0.865 26.901 27.740 0.043 0.000 1.993 477 C HN 0.494 nan 8.230 nan 0.000 0.496 478 K N 0.845 121.260 120.400 0.026 0.000 2.148 478 K HA -0.147 4.172 4.320 -0.002 0.000 0.204 478 K C 1.841 178.451 176.600 0.017 0.000 1.050 478 K CA 1.550 57.850 56.287 0.023 0.000 0.942 478 K CB -0.219 32.293 32.500 0.021 0.000 0.724 478 K HN 0.749 nan 8.250 nan 0.000 0.446 479 E N 0.633 120.842 120.200 0.014 0.000 2.479 479 E HA -0.035 4.313 4.350 -0.002 0.000 0.193 479 E C 1.026 177.631 176.600 0.009 0.000 1.049 479 E CA 0.455 56.861 56.400 0.010 0.000 0.870 479 E CB 0.365 30.070 29.700 0.007 0.000 0.944 479 E HN 0.165 nan 8.360 nan 0.000 0.492 480 V N -1.413 118.508 119.914 0.012 0.000 3.276 480 V HA 0.326 4.445 4.120 -0.002 0.000 0.319 480 V C 0.376 176.479 176.094 0.015 0.000 1.427 480 V CA -0.639 61.668 62.300 0.011 0.000 1.102 480 V CB -0.541 31.288 31.823 0.010 0.000 1.020 480 V HN 0.075 nan 8.190 nan 0.000 0.456 481 L N 2.248 123.481 121.223 0.017 0.000 2.490 481 L HA 0.539 4.877 4.340 -0.002 0.000 0.274 481 L C 1.757 178.635 176.870 0.015 0.000 1.201 481 L CA 1.255 56.106 54.840 0.019 0.000 0.869 481 L CB 0.174 42.245 42.059 0.019 0.000 1.123 481 L HN 0.519 nan 8.230 nan 0.000 0.484 482 G N 2.163 110.972 108.800 0.016 0.000 2.507 482 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.240 482 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.240 482 G C 0.481 175.387 174.900 0.010 0.000 1.119 482 G CA -0.008 45.100 45.100 0.012 0.000 0.664 482 G HN 0.583 nan 8.290 nan 0.000 0.516 483 K N 2.275 122.680 120.400 0.009 0.000 2.436 483 K HA 0.331 4.649 4.320 -0.002 0.000 0.282 483 K C -2.216 174.387 176.600 0.006 0.000 1.044 483 K CA -1.208 55.082 56.287 0.005 0.000 1.028 483 K CB 0.457 32.959 32.500 0.003 0.000 0.919 483 K HN 0.146 nan 8.250 nan 0.000 0.474 484 P HA -0.097 nan 4.420 nan 0.000 0.263 484 P C -2.394 174.907 177.300 0.001 0.000 1.162 484 P CA -0.438 62.663 63.100 0.001 0.000 0.758 484 P CB -0.153 31.541 31.700 -0.010 0.000 0.773 485 P HA 0.226 nan 4.420 nan 0.000 0.274 485 P C -0.733 176.572 177.300 0.009 0.000 1.246 485 P CA 0.017 63.126 63.100 0.015 0.000 0.795 485 P CB 0.680 32.398 31.700 0.029 0.000 1.006 486 V N 1.559 121.482 119.914 0.015 0.000 2.760 486 V HA 0.226 4.345 4.120 -0.002 0.000 0.309 486 V C -1.211 174.924 176.094 0.069 0.000 1.077 486 V CA -0.757 61.548 62.300 0.008 0.000 0.910 486 V CB 1.896 33.701 31.823 -0.030 0.000 1.008 486 V HN 0.410 nan 8.190 nan 0.000 0.424 487 Y N 5.454 125.733 120.300 -0.035 0.000 2.436 487 Y HA 0.521 5.070 4.550 -0.002 0.000 0.343 487 Y C -0.053 175.837 175.900 -0.018 0.000 1.008 487 Y CA -0.397 57.705 58.100 0.004 0.000 1.241 487 Y CB 0.378 38.892 38.460 0.089 0.000 1.153 487 Y HN 0.576 nan 8.280 nan 0.000 0.521 488 K N 5.915 126.096 120.400 -0.366 0.000 2.613 488 K HA 0.152 4.471 4.320 -0.002 0.000 0.248 488 K C -1.629 174.661 176.600 -0.516 0.000 0.959 488 K CA -0.622 55.370 56.287 -0.492 0.000 0.855 488 K CB 0.776 33.133 32.500 -0.238 0.000 1.143 488 K HN 0.659 nan 8.250 nan 0.000 0.437 489 D N 4.272 124.187 120.400 -0.808 0.000 2.374 489 D HA 0.082 4.721 4.640 -0.002 0.000 0.240 489 D C 0.612 176.522 176.300 -0.650 0.000 1.229 489 D CA -0.115 53.408 54.000 -0.796 0.000 0.895 489 D CB 1.207 41.178 40.800 -1.381 0.000 1.046 489 D HN 0.262 nan 8.370 nan 0.000 0.498 490 V N 2.592 122.313 119.914 -0.322 0.000 3.649 490 V HA -0.023 4.096 4.120 -0.002 0.000 0.275 490 V C 1.319 177.382 176.094 -0.053 0.000 1.281 490 V CA -0.083 62.127 62.300 -0.150 0.000 1.143 490 V CB -0.839 30.926 31.823 -0.096 0.000 0.892 490 V HN 0.528 nan 8.190 nan 0.000 0.441 491 S N 1.338 116.998 115.700 -0.065 0.000 2.580 491 S HA 0.354 4.823 4.470 -0.002 0.000 0.266 491 S C -0.054 174.633 174.600 0.145 0.000 1.354 491 S CA -0.304 57.926 58.200 0.050 0.000 1.008 491 S CB 0.344 63.586 63.200 0.070 0.000 0.898 491 S HN 0.343 nan 8.310 nan 0.000 0.555 492 I N 1.004 121.617 120.570 0.072 0.000 2.308 492 I HA 0.306 4.475 4.170 -0.002 0.000 0.293 492 I C -2.401 173.711 176.117 -0.008 0.000 1.078 492 I CA -2.288 59.030 61.300 0.029 0.000 1.292 492 I CB -0.216 37.778 38.000 -0.010 0.000 1.423 492 I HN 0.358 nan 8.210 nan 0.000 0.493 493 P HA -0.090 nan 4.420 nan 0.000 0.261 493 P C -0.114 177.099 177.300 -0.145 0.000 1.165 493 P CA 0.550 63.517 63.100 -0.222 0.000 0.759 493 P CB 0.439 31.957 31.700 -0.303 0.000 0.772 494 T N 1.707 116.180 114.554 -0.136 0.000 2.907 494 T HA 0.730 5.079 4.350 -0.002 0.000 0.292 494 T C -0.172 174.461 174.700 -0.111 0.000 1.043 494 T CA -0.548 61.489 62.100 -0.105 0.000 1.003 494 T CB 1.097 69.920 68.868 -0.074 0.000 1.084 494 T HN 0.341 nan 8.240 nan 0.000 0.483 495 G N 2.503 111.237 108.800 -0.110 0.000 2.788 495 G HA2 0.806 4.765 3.960 -0.002 0.000 0.293 495 G HA3 0.806 4.765 3.960 -0.002 0.000 0.293 495 G C -3.145 171.697 174.900 -0.095 0.000 1.305 495 G CA -1.675 43.361 45.100 -0.107 0.000 1.005 495 G HN 0.612 nan 8.290 nan 0.000 0.496 496 P HA 0.342 nan 4.420 nan 0.000 0.292 496 P C -1.220 176.096 177.300 0.026 0.000 1.283 496 P CA -0.465 62.674 63.100 0.066 0.000 0.835 496 P CB 1.845 33.640 31.700 0.159 0.000 1.017 497 Q N 1.607 121.392 119.800 -0.025 0.000 2.709 497 Q HA 0.275 4.613 4.340 -0.002 0.000 0.232 497 Q C -1.161 174.899 176.000 0.101 0.000 0.856 497 Q CA -0.333 55.473 55.803 0.006 0.000 0.788 497 Q CB 1.195 29.886 28.738 -0.078 0.000 1.386 497 Q HN 0.560 nan 8.270 nan 0.000 0.453 498 T N 0.361 115.049 114.554 0.223 0.000 2.845 498 T HA 0.647 4.996 4.350 -0.002 0.000 0.288 498 T C 0.170 174.932 174.700 0.103 0.000 0.980 498 T CA -0.276 61.957 62.100 0.223 0.000 1.071 498 T CB 1.552 70.533 68.868 0.189 0.000 0.941 498 T HN 0.508 nan 8.240 nan 0.000 0.487 499 T N 0.676 115.281 114.554 0.086 0.000 2.912 499 T HA 0.625 4.974 4.350 -0.002 0.000 0.299 499 T C -0.612 174.116 174.700 0.047 0.000 1.052 499 T CA -1.070 61.060 62.100 0.050 0.000 0.996 499 T CB 1.017 69.904 68.868 0.031 0.000 1.070 499 T HN 0.692 nan 8.240 nan 0.000 0.465 500 I N 3.020 123.611 120.570 0.036 0.000 2.371 500 I HA 0.282 4.450 4.170 -0.002 0.000 0.282 500 I C 0.248 176.380 176.117 0.025 0.000 1.031 500 I CA -0.828 60.492 61.300 0.032 0.000 1.180 500 I CB 0.921 38.939 38.000 0.030 0.000 1.336 500 I HN 0.783 nan 8.210 nan 0.000 0.467 501 D N 4.776 125.191 120.400 0.025 0.000 2.474 501 D HA -0.033 4.606 4.640 -0.002 0.000 0.232 501 D C 1.299 177.611 176.300 0.019 0.000 1.177 501 D CA 0.476 54.488 54.000 0.021 0.000 0.876 501 D CB 1.310 42.123 40.800 0.021 0.000 1.208 501 D HN 0.644 nan 8.370 nan 0.000 0.464 502 A N 3.890 126.720 122.820 0.017 0.000 2.070 502 A HA -0.136 4.183 4.320 -0.002 0.000 0.220 502 A C 2.034 179.629 177.584 0.017 0.000 1.159 502 A CA 0.976 53.023 52.037 0.016 0.000 0.656 502 A CB -0.249 18.759 19.000 0.014 0.000 0.800 502 A HN 0.642 nan 8.150 nan 0.000 0.453 503 R N -1.429 119.082 120.500 0.018 0.000 2.313 503 R HA 0.120 4.459 4.340 -0.002 0.000 0.199 503 R C 1.354 177.666 176.300 0.020 0.000 0.958 503 R CA 0.619 56.730 56.100 0.019 0.000 1.047 503 R CB -0.130 30.181 30.300 0.020 0.000 0.955 503 R HN 0.697 nan 8.270 nan 0.000 0.481 504 G N 0.824 109.636 108.800 0.021 0.000 2.195 504 G HA2 -0.243 3.715 3.960 -0.002 0.000 0.246 504 G HA3 -0.243 3.715 3.960 -0.002 0.000 0.246 504 G C -0.047 174.868 174.900 0.025 0.000 0.984 504 G CA -0.355 44.758 45.100 0.022 0.000 0.633 504 G HN 0.282 nan 8.290 nan 0.000 0.525 505 N N 0.798 119.513 118.700 0.025 0.000 2.359 505 N HA 0.224 4.963 4.740 -0.002 0.000 0.261 505 N C 0.391 175.921 175.510 0.033 0.000 1.267 505 N CA 0.660 53.726 53.050 0.028 0.000 0.864 505 N CB 0.393 38.896 38.487 0.027 0.000 1.063 505 N HN 0.437 nan 8.380 nan 0.000 0.474 506 I N 2.457 123.050 120.570 0.039 0.000 2.330 506 I HA 0.140 4.309 4.170 -0.002 0.000 0.289 506 I C 0.445 176.600 176.117 0.064 0.000 1.001 506 I CA -0.596 60.733 61.300 0.049 0.000 1.193 506 I CB 1.039 39.067 38.000 0.046 0.000 1.345 506 I HN 0.445 nan 8.210 nan 0.000 0.461 507 Q N 6.488 126.333 119.800 0.076 0.000 2.416 507 Q HA 0.527 4.865 4.340 -0.002 0.000 0.279 507 Q C -1.693 174.404 176.000 0.162 0.000 1.101 507 Q CA -0.889 54.972 55.803 0.097 0.000 0.830 507 Q CB 2.722 31.495 28.738 0.058 0.000 1.402 507 Q HN 0.550 nan 8.270 nan 0.000 0.445 508 Y N 0.802 121.111 120.300 0.014 0.000 2.317 508 Y HA 0.355 4.904 4.550 -0.002 0.000 0.325 508 Y C -1.385 174.520 175.900 0.008 0.000 1.066 508 Y CA -0.302 57.805 58.100 0.013 0.000 1.203 508 Y CB 1.672 40.145 38.460 0.023 0.000 1.127 508 Y HN 0.823 nan 8.280 nan 0.000 0.451 509 Q N 2.930 122.484 119.800 -0.410 0.000 2.166 509 Q HA 0.467 4.806 4.340 -0.002 0.000 0.226 509 Q C -0.881 174.724 176.000 -0.658 0.000 0.989 509 Q CA -1.128 54.429 55.803 -0.411 0.000 0.966 509 Q CB 1.432 30.048 28.738 -0.203 0.000 1.173 509 Q HN 0.565 nan 8.270 nan 0.000 0.509 510 E N 1.140 121.108 120.200 -0.387 0.000 2.207 510 E HA 0.279 4.628 4.350 -0.002 0.000 0.250 510 E C -1.352 175.140 176.600 -0.180 0.000 0.890 510 E CA -0.270 55.948 56.400 -0.303 0.000 0.749 510 E CB 1.647 31.223 29.700 -0.208 0.000 1.193 510 E HN 0.241 nan 8.360 nan 0.000 0.423 511 V N 3.867 123.684 119.914 -0.162 0.000 2.465 511 V HA 0.228 4.346 4.120 -0.002 0.000 0.279 511 V C -2.127 173.907 176.094 -0.099 0.000 1.045 511 V CA -2.223 60.009 62.300 -0.115 0.000 0.938 511 V CB 0.908 32.670 31.823 -0.101 0.000 0.986 511 V HN 0.484 nan 8.190 nan 0.000 0.467 512 P HA 0.005 nan 4.420 nan 0.000 0.261 512 P C -0.049 177.196 177.300 -0.090 0.000 1.173 512 P CA 0.275 63.325 63.100 -0.083 0.000 0.760 512 P CB 0.244 31.901 31.700 -0.071 0.000 0.783 513 R N 3.151 123.589 120.500 -0.102 0.000 2.458 513 R HA 0.073 4.411 4.340 -0.002 0.000 0.303 513 R C 1.453 177.692 176.300 -0.100 0.000 1.013 513 R CA 0.138 56.176 56.100 -0.104 0.000 1.026 513 R CB 0.251 30.482 30.300 -0.116 0.000 0.948 513 R HN 0.509 nan 8.270 nan 0.000 0.417 514 A N 2.776 125.543 122.820 -0.088 0.000 2.070 514 A HA -0.136 4.183 4.320 -0.002 0.000 0.220 514 A C 1.843 179.371 177.584 -0.092 0.000 1.159 514 A CA 1.445 53.434 52.037 -0.081 0.000 0.656 514 A CB 0.074 19.035 19.000 -0.064 0.000 0.800 514 A HN 0.676 nan 8.150 nan 0.000 0.453 515 S N -1.277 114.366 115.700 -0.095 0.000 2.456 515 S HA 0.475 4.944 4.470 -0.002 0.000 0.224 515 S C 0.882 175.388 174.600 -0.156 0.000 1.035 515 S CA 0.411 58.554 58.200 -0.095 0.000 0.940 515 S CB 0.065 63.230 63.200 -0.059 0.000 0.799 515 S HN 0.750 nan 8.310 nan 0.000 0.508 516 A N 0.705 123.427 122.820 -0.163 0.000 2.355 516 A HA 0.779 5.098 4.320 -0.002 0.000 0.324 516 A C 0.599 178.032 177.584 -0.251 0.000 1.117 516 A CA -0.574 51.327 52.037 -0.227 0.000 0.785 516 A CB 1.173 20.147 19.000 -0.043 0.000 1.254 516 A HN 0.103 nan 8.150 nan 0.000 0.453 517 R N 0.131 120.431 120.500 -0.332 0.000 2.428 517 R HA 0.220 4.558 4.340 -0.002 0.000 0.193 517 R C 0.083 176.383 176.300 0.000 0.000 0.852 517 R CA 0.461 56.462 56.100 -0.164 0.000 1.055 517 R CB 0.167 30.349 30.300 -0.198 0.000 1.343 517 R HN 0.633 nan 8.270 nan 0.000 0.655 518 K N 0.069 120.570 120.400 0.167 0.000 2.177 518 K HA 0.264 4.583 4.320 -0.002 0.000 0.238 518 K C 1.009 177.742 176.600 0.222 0.000 1.015 518 K CA -0.425 55.997 56.287 0.225 0.000 0.922 518 K CB 0.600 33.243 32.500 0.238 0.000 1.127 518 K HN -0.129 nan 8.250 nan 0.000 0.469 519 F N 1.462 121.401 119.950 -0.019 0.000 2.325 519 F HA -0.100 4.426 4.527 -0.002 0.000 0.299 519 F C 2.051 177.899 175.800 0.081 0.000 1.090 519 F CA 1.082 59.046 58.000 -0.059 0.000 1.392 519 F CB 0.327 39.102 39.000 -0.375 0.000 1.053 519 F HN 0.617 nan 8.300 nan 0.000 0.521 520 E N -0.737 119.568 120.200 0.175 0.000 2.130 520 E HA -0.277 4.071 4.350 -0.002 0.000 0.196 520 E C 1.687 178.294 176.600 0.013 0.000 0.998 520 E CA 1.772 58.213 56.400 0.068 0.000 0.806 520 E CB -0.438 29.234 29.700 -0.047 0.000 0.738 520 E HN 0.601 nan 8.360 nan 0.000 0.459 521 H N -0.614 118.489 119.070 0.055 0.000 2.326 521 H HA -0.152 4.403 4.556 -0.002 0.000 0.301 521 H C 1.882 177.225 175.328 0.024 0.000 1.081 521 H CA 1.824 57.887 56.048 0.024 0.000 1.334 521 H CB -0.345 29.418 29.762 0.003 0.000 1.385 521 H HN 0.217 nan 8.280 nan 0.000 0.504 522 Y N 1.414 121.720 120.300 0.009 0.000 2.081 522 Y HA -0.314 4.235 4.550 -0.002 0.000 0.280 522 Y C 2.302 178.226 175.900 0.039 0.000 1.163 522 Y CA 1.684 59.737 58.100 -0.078 0.000 1.135 522 Y CB -0.825 37.438 38.460 -0.327 0.000 0.970 522 Y HN -0.010 nan 8.280 nan 0.000 0.498 523 V N 1.066 120.979 119.914 -0.003 0.000 2.250 523 V HA -0.398 3.720 4.120 -0.002 0.000 0.250 523 V C 2.359 178.399 176.094 -0.090 0.000 1.060 523 V CA 2.539 64.815 62.300 -0.039 0.000 1.030 523 V CB -0.883 31.039 31.823 0.164 0.000 0.643 523 V HN 0.374 nan 8.190 nan 0.000 0.445 524 K N -0.354 120.025 120.400 -0.034 0.000 1.978 524 K HA -0.224 4.095 4.320 -0.002 0.000 0.214 524 K C 2.351 178.941 176.600 -0.018 0.000 1.049 524 K CA 1.851 58.126 56.287 -0.020 0.000 0.939 524 K CB -0.416 32.076 32.500 -0.014 0.000 0.721 524 K HN 0.477 nan 8.250 nan 0.000 0.441 525 Q N -0.119 119.671 119.800 -0.017 0.000 2.182 525 Q HA -0.259 4.080 4.340 -0.002 0.000 0.213 525 Q C 2.182 178.184 176.000 0.004 0.000 1.000 525 Q CA 1.653 57.451 55.803 -0.009 0.000 0.889 525 Q CB -0.185 28.534 28.738 -0.031 0.000 0.932 525 Q HN 0.333 nan 8.270 nan 0.000 0.415 526 M N -0.364 119.172 119.600 -0.106 0.000 2.062 526 M HA -0.118 4.360 4.480 -0.002 0.000 0.259 526 M C 2.393 178.782 176.300 0.149 0.000 1.076 526 M CA 1.731 57.028 55.300 -0.006 0.000 1.122 526 M CB -1.573 30.892 32.600 -0.225 0.000 1.312 526 M HN 0.231 nan 8.290 nan 0.000 0.412 527 A N -0.071 122.775 122.820 0.042 0.000 1.917 527 A HA -0.208 4.110 4.320 -0.002 0.000 0.219 527 A C 2.088 179.718 177.584 0.077 0.000 1.182 527 A CA 1.948 54.020 52.037 0.058 0.000 0.633 527 A CB -0.837 18.175 19.000 0.019 0.000 0.819 527 A HN 0.609 nan 8.150 nan 0.000 0.448 528 E N -0.970 119.273 120.200 0.072 0.000 2.019 528 E HA 0.146 4.495 4.350 -0.002 0.000 0.208 528 E C 1.185 177.821 176.600 0.059 0.000 1.030 528 E CA 1.012 57.451 56.400 0.065 0.000 0.856 528 E CB -0.239 29.498 29.700 0.062 0.000 0.781 528 E HN 0.761 nan 8.360 nan 0.000 0.471 529 G N -1.333 107.525 108.800 0.097 0.000 2.346 529 G HA2 0.309 4.268 3.960 -0.002 0.000 0.294 529 G HA3 0.309 4.268 3.960 -0.002 0.000 0.294 529 G C -0.977 173.939 174.900 0.026 0.000 1.294 529 G CA -0.631 44.428 45.100 -0.068 0.000 0.962 529 G HN 0.508 nan 8.290 nan 0.000 0.508 530 G N -0.898 107.745 108.800 -0.262 0.000 2.638 530 G HA2 0.693 4.652 3.960 -0.002 0.000 0.302 530 G HA3 0.693 4.652 3.960 -0.002 0.000 0.302 530 G C -1.543 173.261 174.900 -0.160 0.000 1.365 530 G CA -0.768 44.303 45.100 -0.049 0.000 0.987 530 G HN 0.424 nan 8.290 nan 0.000 0.495 531 P HA -0.157 nan 4.420 nan 0.000 0.216 531 P C 2.055 179.269 177.300 -0.144 0.000 1.153 531 P CA 0.364 63.414 63.100 -0.083 0.000 0.858 531 P CB 0.274 31.952 31.700 -0.035 0.000 0.789 532 I N -0.192 120.292 120.570 -0.143 0.000 2.381 532 I HA -0.213 3.956 4.170 -0.002 0.000 0.255 532 I C 1.058 176.865 176.117 -0.517 0.000 1.140 532 I CA 1.542 62.726 61.300 -0.193 0.000 1.404 532 I CB -0.546 37.399 38.000 -0.091 0.000 1.075 532 I HN -0.091 nan 8.210 nan 0.000 0.433 533 S N 0.711 115.985 115.700 -0.709 0.000 3.548 533 S HA 0.240 4.709 4.470 -0.002 0.000 0.195 533 S C 0.212 174.545 174.600 -0.446 0.000 1.432 533 S CA -0.759 56.752 58.200 -1.148 0.000 1.087 533 S CB -0.343 62.214 63.200 -1.071 0.000 1.337 533 S HN 0.336 nan 8.310 nan 0.000 0.505 534 Q N 2.335 122.000 119.800 -0.224 0.000 2.296 534 Q HA 0.238 4.577 4.340 -0.002 0.000 0.263 534 Q C -0.993 175.101 176.000 0.157 0.000 1.026 534 Q CA -0.424 55.383 55.803 0.006 0.000 0.912 534 Q CB -0.082 28.671 28.738 0.026 0.000 1.198 534 Q HN 0.625 nan 8.270 nan 0.000 0.407 535 Y N 2.983 123.293 120.300 0.018 0.000 2.805 535 Y HA -0.181 4.368 4.550 -0.002 0.000 0.386 535 Y C 0.934 176.874 175.900 0.066 0.000 1.313 535 Y CA 1.161 59.296 58.100 0.059 0.000 1.683 535 Y CB -0.186 38.292 38.460 0.029 0.000 1.168 535 Y HN 0.648 nan 8.280 nan 0.000 0.514 536 S N 3.171 118.958 115.700 0.144 0.000 2.587 536 S HA -0.045 4.424 4.470 -0.002 0.000 0.260 536 S C 1.526 176.182 174.600 0.092 0.000 1.353 536 S CA -0.468 57.796 58.200 0.106 0.000 0.995 536 S CB 0.511 63.744 63.200 0.054 0.000 0.912 536 S HN 0.801 nan 8.310 nan 0.000 0.568 537 N N 1.898 120.637 118.700 0.065 0.000 2.018 537 N HA -0.152 4.587 4.740 -0.002 0.000 0.196 537 N C 1.892 177.423 175.510 0.036 0.000 1.043 537 N CA 1.720 54.801 53.050 0.052 0.000 0.856 537 N CB -0.679 37.826 38.487 0.031 0.000 1.042 537 N HN 0.693 nan 8.380 nan 0.000 0.423 538 R N 0.560 121.064 120.500 0.007 0.000 2.091 538 R HA -0.110 4.228 4.340 -0.002 0.000 0.238 538 R C 2.152 178.441 176.300 -0.018 0.000 1.136 538 R CA 2.136 58.227 56.100 -0.016 0.000 0.959 538 R CB -0.559 29.716 30.300 -0.042 0.000 0.856 538 R HN 0.416 nan 8.270 nan 0.000 0.437 539 T N -1.311 113.222 114.554 -0.034 0.000 2.833 539 T HA -0.071 4.277 4.350 -0.002 0.000 0.269 539 T C 1.784 176.491 174.700 0.012 0.000 1.054 539 T CA 1.085 63.125 62.100 -0.101 0.000 1.135 539 T CB -0.130 68.588 68.868 -0.252 0.000 0.869 539 T HN 0.243 nan 8.240 nan 0.000 0.466 540 K N 0.579 121.075 120.400 0.159 0.000 1.991 540 K HA 0.038 4.357 4.320 -0.002 0.000 0.207 540 K C 2.425 179.103 176.600 0.130 0.000 1.045 540 K CA 1.224 57.667 56.287 0.261 0.000 0.937 540 K CB -0.602 32.031 32.500 0.221 0.000 0.720 540 K HN 0.234 nan 8.250 nan 0.000 0.438 541 V N 2.145 122.106 119.914 0.079 0.000 2.370 541 V HA -0.327 3.792 4.120 -0.002 0.000 0.252 541 V C 2.303 178.435 176.094 0.062 0.000 1.068 541 V CA 1.853 64.187 62.300 0.056 0.000 1.061 541 V CB -0.581 31.258 31.823 0.027 0.000 0.656 541 V HN 0.400 nan 8.190 nan 0.000 0.455 542 Q N -0.277 119.549 119.800 0.042 0.000 1.969 542 Q HA -0.133 4.206 4.340 -0.002 0.000 0.198 542 Q C 2.258 178.300 176.000 0.070 0.000 0.978 542 Q CA 1.473 57.297 55.803 0.035 0.000 0.830 542 Q CB -0.322 28.402 28.738 -0.023 0.000 0.896 542 Q HN 0.571 nan 8.270 nan 0.000 0.431 543 N N 1.024 119.760 118.700 0.060 0.000 2.258 543 N HA -0.152 4.587 4.740 -0.002 0.000 0.187 543 N C 1.028 176.589 175.510 0.085 0.000 1.012 543 N CA 1.230 54.322 53.050 0.071 0.000 0.870 543 N CB -0.233 38.330 38.487 0.127 0.000 0.977 543 N HN 0.256 nan 8.380 nan 0.000 0.434 544 D N 0.580 121.037 120.400 0.094 0.000 2.084 544 D HA 0.000 4.639 4.640 -0.002 0.000 0.199 544 D C 2.198 178.563 176.300 0.108 0.000 0.981 544 D CA 0.437 54.484 54.000 0.079 0.000 0.841 544 D CB -0.510 40.329 40.800 0.066 0.000 0.997 544 D HN 0.155 nan 8.370 nan 0.000 0.454 545 L N 0.775 122.090 121.223 0.153 0.000 2.137 545 L HA -0.216 4.123 4.340 -0.002 0.000 0.213 545 L C 2.574 179.583 176.870 0.231 0.000 1.085 545 L CA 1.008 55.998 54.840 0.249 0.000 0.760 545 L CB -0.322 41.952 42.059 0.358 0.000 0.893 545 L HN -0.005 nan 8.230 nan 0.000 0.434 546 R N 0.311 120.924 120.500 0.189 0.000 2.127 546 R HA -0.169 4.170 4.340 -0.002 0.000 0.228 546 R C 2.517 178.865 176.300 0.081 0.000 1.125 546 R CA 2.145 58.315 56.100 0.115 0.000 0.904 546 R CB -1.119 29.229 30.300 0.080 0.000 0.831 546 R HN 0.488 nan 8.270 nan 0.000 0.431 547 S N 0.556 116.297 115.700 0.068 0.000 2.419 547 S HA -0.098 4.370 4.470 -0.002 0.000 0.235 547 S C 2.265 176.887 174.600 0.038 0.000 1.019 547 S CA 1.380 59.608 58.200 0.047 0.000 0.982 547 S CB -0.667 62.549 63.200 0.026 0.000 0.789 547 S HN 0.074 nan 8.310 nan 0.000 0.490 548 V N 0.914 120.864 119.914 0.061 0.000 2.295 548 V HA -0.217 3.901 4.120 -0.002 0.000 0.246 548 V C 2.148 178.250 176.094 0.015 0.000 1.049 548 V CA 2.159 64.486 62.300 0.044 0.000 1.024 548 V CB -0.945 30.962 31.823 0.140 0.000 0.648 548 V HN 0.614 nan 8.190 nan 0.000 0.447 549 Y N 0.982 121.256 120.300 -0.043 0.000 2.145 549 Y HA -0.242 4.307 4.550 -0.002 0.000 0.286 549 Y C 2.617 178.458 175.900 -0.099 0.000 1.145 549 Y CA 1.949 60.028 58.100 -0.034 0.000 1.148 549 Y CB -0.124 38.128 38.460 -0.348 0.000 0.981 549 Y HN 0.113 nan 8.280 nan 0.000 0.507 550 K N 0.156 120.684 120.400 0.213 0.000 2.152 550 K HA -0.215 4.104 4.320 -0.002 0.000 0.206 550 K C 2.033 178.613 176.600 -0.034 0.000 1.048 550 K CA 1.502 57.862 56.287 0.121 0.000 0.933 550 K CB -0.230 32.321 32.500 0.085 0.000 0.721 550 K HN 0.417 nan 8.250 nan 0.000 0.447 551 L N 0.677 121.850 121.223 -0.083 0.000 2.013 551 L HA -0.127 4.212 4.340 -0.002 0.000 0.204 551 L C 2.284 179.011 176.870 -0.239 0.000 1.081 551 L CA 1.086 55.844 54.840 -0.136 0.000 0.751 551 L CB -0.253 41.734 42.059 -0.120 0.000 0.901 551 L HN 0.159 nan 8.230 nan 0.000 0.440 552 I N -0.198 120.167 120.570 -0.341 0.000 2.229 552 I HA -0.392 3.777 4.170 -0.002 0.000 0.250 552 I C 2.722 178.544 176.117 -0.492 0.000 1.096 552 I CA 1.272 62.278 61.300 -0.491 0.000 1.358 552 I CB -0.290 37.192 38.000 -0.862 0.000 1.047 552 I HN 0.334 nan 8.210 nan 0.000 0.422 553 R N 1.696 121.891 120.500 -0.508 0.000 2.060 553 R HA -0.015 4.324 4.340 -0.002 0.000 0.225 553 R C 1.539 177.512 176.300 -0.545 0.000 1.155 553 R CA 1.492 57.286 56.100 -0.510 0.000 0.930 553 R CB -0.468 29.560 30.300 -0.452 0.000 0.829 553 R HN 0.130 nan 8.270 nan 0.000 0.433 554 R N 1.161 121.464 120.500 -0.328 0.000 4.160 554 R HA 0.065 4.404 4.340 -0.002 0.000 0.216 554 R C -0.235 175.906 176.300 -0.265 0.000 2.009 554 R CA 0.314 56.256 56.100 -0.264 0.000 1.664 554 R CB -0.219 30.032 30.300 -0.082 0.000 1.216 554 R HN 0.365 nan 8.270 nan 0.000 0.648 555 Q N 0.288 119.846 119.800 -0.404 0.000 3.825 555 Q HA 0.111 4.450 4.340 -0.002 0.000 0.218 555 Q C -1.247 174.602 176.000 -0.252 0.000 0.882 555 Q CA -0.309 55.346 55.803 -0.248 0.000 0.766 555 Q CB 0.986 29.614 28.738 -0.183 0.000 1.497 555 Q HN 0.372 nan 8.270 nan 0.000 0.428 556 H N 2.856 121.887 119.070 -0.064 0.000 3.232 556 H HA 0.148 4.703 4.556 -0.002 0.000 0.254 556 H C 0.768 176.066 175.328 -0.050 0.000 1.213 556 H CA 0.588 56.601 56.048 -0.058 0.000 1.503 556 H CB 0.292 30.029 29.762 -0.041 0.000 1.563 556 H HN 0.534 nan 8.280 nan 0.000 0.490 557 R N 1.629 122.143 120.500 0.023 0.000 2.371 557 R HA 0.160 4.499 4.340 -0.002 0.000 0.261 557 R C -0.484 175.807 176.300 -0.016 0.000 0.768 557 R CA -0.252 55.850 56.100 0.005 0.000 0.992 557 R CB 0.312 30.605 30.300 -0.013 0.000 1.687 557 R HN 0.136 nan 8.270 nan 0.000 0.463 558 L N 2.695 123.899 121.223 -0.031 0.000 2.357 558 L HA 0.382 4.721 4.340 -0.002 0.000 0.273 558 L C 0.683 177.546 176.870 -0.012 0.000 1.080 558 L CA -0.834 53.982 54.840 -0.040 0.000 0.803 558 L CB 1.623 43.632 42.059 -0.084 0.000 1.174 558 L HN 0.106 nan 8.230 nan 0.000 0.443 559 S N 0.583 116.278 115.700 -0.008 0.000 2.568 559 S HA 0.074 4.543 4.470 -0.002 0.000 0.282 559 S C 0.644 175.252 174.600 0.014 0.000 1.338 559 S CA -0.556 57.646 58.200 0.005 0.000 1.045 559 S CB 0.579 63.781 63.200 0.004 0.000 0.873 559 S HN 0.602 nan 8.310 nan 0.000 0.516 560 K N 1.335 121.748 120.400 0.022 0.000 2.515 560 K HA -0.001 4.317 4.320 -0.002 0.000 0.196 560 K C 1.832 178.452 176.600 0.033 0.000 1.038 560 K CA 0.607 56.913 56.287 0.032 0.000 0.967 560 K CB -0.189 32.330 32.500 0.031 0.000 0.780 560 K HN 0.551 nan 8.250 nan 0.000 0.483 561 S N 0.228 115.943 115.700 0.026 0.000 2.387 561 S HA -0.066 4.403 4.470 -0.002 0.000 0.226 561 S C 1.816 176.439 174.600 0.038 0.000 1.026 561 S CA 1.203 59.420 58.200 0.028 0.000 0.972 561 S CB 0.105 63.317 63.200 0.020 0.000 0.814 561 S HN 0.268 nan 8.310 nan 0.000 0.477 562 S N 1.318 117.037 115.700 0.033 0.000 2.427 562 S HA 0.057 4.526 4.470 -0.002 0.000 0.224 562 S C 1.895 176.537 174.600 0.071 0.000 1.047 562 S CA 0.170 58.395 58.200 0.043 0.000 0.953 562 S CB -0.257 62.949 63.200 0.011 0.000 0.824 562 S HN 0.450 nan 8.310 nan 0.000 0.502 563 Q N 1.124 120.949 119.800 0.042 0.000 2.030 563 Q HA -0.053 4.286 4.340 -0.002 0.000 0.204 563 Q C 2.179 178.251 176.000 0.120 0.000 0.986 563 Q CA 1.025 56.859 55.803 0.052 0.000 0.843 563 Q CB -0.413 28.332 28.738 0.011 0.000 0.904 563 Q HN 0.320 nan 8.270 nan 0.000 0.420 564 L N 1.084 122.361 121.223 0.091 0.000 2.081 564 L HA -0.238 4.101 4.340 -0.002 0.000 0.212 564 L C 1.977 178.907 176.870 0.100 0.000 1.080 564 L CA 1.920 56.815 54.840 0.092 0.000 0.754 564 L CB -0.532 41.566 42.059 0.064 0.000 0.893 564 L HN 0.409 nan 8.230 nan 0.000 0.433 565 Q N -1.758 118.106 119.800 0.105 0.000 2.319 565 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 565 Q C 1.708 177.794 176.000 0.143 0.000 0.896 565 Q CA -0.025 55.837 55.803 0.097 0.000 0.942 565 Q CB 0.141 28.925 28.738 0.077 0.000 1.083 565 Q HN 0.478 nan 8.270 nan 0.000 0.510 566 F N 1.626 121.594 119.950 0.031 0.000 2.164 566 F HA 0.022 4.548 4.527 -0.002 0.000 0.287 566 F C 1.700 177.579 175.800 0.132 0.000 1.086 566 F CA 1.465 59.488 58.000 0.038 0.000 1.249 566 F CB -0.409 38.564 39.000 -0.045 0.000 1.059 566 F HN 0.135 nan 8.300 nan 0.000 0.490 567 N N 1.467 120.124 118.700 -0.073 0.000 2.348 567 N HA -0.187 4.551 4.740 -0.002 0.000 0.185 567 N C 1.910 177.442 175.510 0.037 0.000 1.019 567 N CA 1.117 54.191 53.050 0.041 0.000 0.880 567 N CB -0.695 38.017 38.487 0.375 0.000 0.965 567 N HN 0.443 nan 8.380 nan 0.000 0.437 568 A N 2.330 125.158 122.820 0.013 0.000 1.845 568 A HA -0.034 4.285 4.320 -0.002 0.000 0.215 568 A C 2.388 179.950 177.584 -0.037 0.000 1.195 568 A CA 0.921 52.960 52.037 0.003 0.000 0.616 568 A CB -0.811 18.203 19.000 0.023 0.000 0.832 568 A HN 0.206 nan 8.150 nan 0.000 0.443 569 L N -1.798 119.392 121.223 -0.055 0.000 2.376 569 L HA -0.109 4.230 4.340 -0.002 0.000 0.219 569 L C 2.440 179.249 176.870 -0.102 0.000 1.133 569 L CA 0.964 55.769 54.840 -0.058 0.000 0.816 569 L CB -0.463 41.592 42.059 -0.007 0.000 0.933 569 L HN 0.621 nan 8.230 nan 0.000 0.449 570 Y N 1.056 121.142 120.300 -0.357 0.000 2.176 570 Y HA -0.148 4.400 4.550 -0.002 0.000 0.291 570 Y C 2.449 178.237 175.900 -0.188 0.000 1.122 570 Y CA 1.269 59.147 58.100 -0.370 0.000 1.128 570 Y CB -0.094 38.016 38.460 -0.583 0.000 1.005 570 Y HN -0.069 nan 8.280 nan 0.000 0.509 571 K N 0.090 120.304 120.400 -0.310 0.000 2.032 571 K HA -0.217 4.102 4.320 -0.002 0.000 0.209 571 K C 1.764 178.221 176.600 -0.239 0.000 1.048 571 K CA 1.740 57.830 56.287 -0.328 0.000 0.927 571 K CB -0.390 32.025 32.500 -0.141 0.000 0.712 571 K HN 0.281 nan 8.250 nan 0.000 0.441 572 D N 0.478 120.788 120.400 -0.151 0.000 2.154 572 D HA -0.185 4.453 4.640 -0.002 0.000 0.190 572 D C 1.831 178.052 176.300 -0.132 0.000 1.003 572 D CA 1.295 55.230 54.000 -0.108 0.000 0.849 572 D CB -0.249 40.509 40.800 -0.070 0.000 0.942 572 D HN -0.062 nan 8.370 nan 0.000 0.446 573 V N 1.127 120.947 119.914 -0.157 0.000 2.343 573 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 573 V C 2.421 178.405 176.094 -0.183 0.000 1.051 573 V CA 1.071 63.287 62.300 -0.139 0.000 1.036 573 V CB -0.379 31.383 31.823 -0.102 0.000 0.654 573 V HN 0.251 nan 8.190 nan 0.000 0.451 574 I N -0.182 120.220 120.570 -0.281 0.000 2.202 574 I HA -0.195 3.974 4.170 -0.002 0.000 0.242 574 I C 2.628 178.614 176.117 -0.218 0.000 1.091 574 I CA 1.686 62.820 61.300 -0.275 0.000 1.368 574 I CB -1.089 36.682 38.000 -0.383 0.000 1.058 574 I HN 0.296 nan 8.210 nan 0.000 0.410 575 R N 1.240 121.629 120.500 -0.186 0.000 2.070 575 R HA -0.128 4.211 4.340 -0.002 0.000 0.233 575 R C 2.495 178.675 176.300 -0.200 0.000 1.137 575 R CA 1.711 57.713 56.100 -0.163 0.000 0.945 575 R CB -0.227 30.035 30.300 -0.063 0.000 0.845 575 R HN 0.333 nan 8.270 nan 0.000 0.430 576 A N 1.300 124.033 122.820 -0.145 0.000 1.927 576 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 576 A C 2.226 179.720 177.584 -0.149 0.000 1.185 576 A CA 1.441 53.402 52.037 -0.126 0.000 0.639 576 A CB -0.680 18.266 19.000 -0.090 0.000 0.820 576 A HN 0.353 nan 8.150 nan 0.000 0.451 577 L N -1.339 119.790 121.223 -0.158 0.000 2.083 577 L HA -0.199 4.139 4.340 -0.002 0.000 0.209 577 L C 3.083 179.836 176.870 -0.194 0.000 1.083 577 L CA 1.128 55.879 54.840 -0.149 0.000 0.752 577 L CB -0.575 41.404 42.059 -0.135 0.000 0.899 577 L HN 0.500 nan 8.230 nan 0.000 0.433 578 A N -0.131 122.516 122.820 -0.288 0.000 1.874 578 A HA -0.138 4.181 4.320 -0.002 0.000 0.214 578 A C 2.276 179.598 177.584 -0.438 0.000 1.189 578 A CA 1.145 52.932 52.037 -0.417 0.000 0.615 578 A CB -0.270 18.324 19.000 -0.676 0.000 0.830 578 A HN 0.271 nan 8.150 nan 0.000 0.443 579 M N -0.951 118.390 119.600 -0.432 0.000 2.081 579 M HA -0.016 4.463 4.480 -0.002 0.000 0.261 579 M C 0.767 176.968 176.300 -0.165 0.000 1.075 579 M CA 1.110 56.228 55.300 -0.304 0.000 1.133 579 M CB -0.315 32.156 32.600 -0.216 0.000 1.330 579 M HN 0.400 nan 8.290 nan 0.000 0.414 580 N N 1.023 119.644 118.700 -0.133 0.000 2.682 580 N HA 0.089 4.827 4.740 -0.002 0.000 0.252 580 N C 0.087 175.546 175.510 -0.085 0.000 1.081 580 N CA 0.035 53.031 53.050 -0.090 0.000 0.844 580 N CB 1.251 39.701 38.487 -0.061 0.000 1.167 580 N HN 0.234 nan 8.380 nan 0.000 0.523 581 E N 0.901 121.049 120.200 -0.087 0.000 2.106 581 E HA -0.156 4.193 4.350 -0.002 0.000 0.192 581 E C 1.695 178.265 176.600 -0.050 0.000 0.984 581 E CA 1.226 57.582 56.400 -0.074 0.000 0.806 581 E CB 0.301 29.957 29.700 -0.073 0.000 0.750 581 E HN 0.684 nan 8.360 nan 0.000 0.458 582 S N 0.447 116.122 115.700 -0.043 0.000 2.374 582 S HA -0.276 4.193 4.470 -0.002 0.000 0.227 582 S C 1.947 176.532 174.600 -0.026 0.000 1.037 582 S CA 1.347 59.529 58.200 -0.029 0.000 1.024 582 S CB -0.376 62.809 63.200 -0.025 0.000 0.861 582 S HN 0.292 nan 8.310 nan 0.000 0.456 583 Q N 0.361 120.143 119.800 -0.030 0.000 2.049 583 Q HA 0.091 4.430 4.340 -0.002 0.000 0.198 583 Q C 2.296 178.282 176.000 -0.024 0.000 0.971 583 Q CA 1.283 57.071 55.803 -0.025 0.000 0.833 583 Q CB -0.275 28.447 28.738 -0.026 0.000 0.896 583 Q HN 0.533 nan 8.270 nan 0.000 0.434 584 I N -0.249 120.302 120.570 -0.032 0.000 2.530 584 I HA -0.156 4.013 4.170 -0.002 0.000 0.257 584 I C 1.312 177.416 176.117 -0.020 0.000 1.179 584 I CA 1.288 62.570 61.300 -0.029 0.000 1.440 584 I CB -0.680 37.295 38.000 -0.042 0.000 1.087 584 I HN 0.288 nan 8.210 nan 0.000 0.440 611 T N -0.348 114.356 114.554 0.251 0.000 2.778 611 T HA 0.788 5.137 4.350 -0.002 0.000 0.293 611 T C -0.842 174.061 174.700 0.338 0.000 1.144 611 T CA -1.014 61.265 62.100 0.297 0.000 1.010 611 T CB 1.174 70.048 68.868 0.009 0.000 1.325 611 T HN 0.298 nan 8.240 nan 0.000 0.515 612 I N 0.274 120.848 120.570 0.006 0.000 2.390 612 I HA 0.382 4.551 4.170 -0.002 0.000 0.283 612 I C -2.233 173.701 176.117 -0.306 0.000 1.016 612 I CA -2.415 58.764 61.300 -0.201 0.000 1.151 612 I CB 1.166 39.008 38.000 -0.263 0.000 1.293 612 I HN 0.391 nan 8.210 nan 0.000 0.458 613 P HA -0.351 nan 4.420 nan 0.000 0.232 613 P C 0.983 178.305 177.300 0.036 0.000 0.851 613 P CA 2.403 65.484 63.100 -0.031 0.000 1.113 613 P CB -0.298 31.417 31.700 0.024 0.000 0.628 614 F N -4.595 115.423 119.950 0.113 0.000 2.930 614 F HA -0.252 4.274 4.527 -0.002 0.000 0.396 614 F C 0.938 176.896 175.800 0.263 0.000 0.617 614 F CA 1.084 59.209 58.000 0.208 0.000 0.736 614 F CB -1.807 37.290 39.000 0.161 0.000 1.482 614 F HN 0.096 nan 8.300 nan 0.000 0.277 615 L N 1.153 122.608 121.223 0.386 0.000 2.442 615 L HA 0.383 4.722 4.340 -0.002 0.000 0.261 615 L C -0.219 176.808 176.870 0.262 0.000 1.000 615 L CA -0.553 54.462 54.840 0.292 0.000 0.882 615 L CB 1.069 43.317 42.059 0.316 0.000 1.207 615 L HN 0.122 nan 8.230 nan 0.000 0.443 616 H N 2.698 121.830 119.070 0.103 0.000 2.821 616 H HA 0.623 5.178 4.556 -0.002 0.000 0.373 616 H C -1.087 174.290 175.328 0.081 0.000 1.165 616 H CA -0.993 55.068 56.048 0.021 0.000 1.154 616 H CB 1.929 31.475 29.762 -0.361 0.000 1.765 616 H HN 0.289 nan 8.280 nan 0.000 0.549 617 L N 1.144 122.484 121.223 0.196 0.000 2.488 617 L HA 0.575 4.913 4.340 -0.002 0.000 0.249 617 L C 0.567 177.589 176.870 0.253 0.000 1.151 617 L CA -0.884 54.052 54.840 0.161 0.000 0.806 617 L CB 0.554 42.708 42.059 0.158 0.000 1.261 617 L HN 0.588 nan 8.230 nan 0.000 0.484 618 R N -0.175 120.466 120.500 0.236 0.000 2.817 618 R HA 0.573 4.911 4.340 -0.002 0.000 0.268 618 R C -1.305 175.219 176.300 0.373 0.000 1.027 618 R CA -1.010 55.248 56.100 0.263 0.000 0.928 618 R CB 2.582 32.920 30.300 0.064 0.000 1.228 618 R HN 0.422 nan 8.270 nan 0.000 0.469 619 K N 0.880 121.445 120.400 0.275 0.000 2.482 619 K HA 0.371 4.689 4.320 -0.002 0.000 0.257 619 K C -1.160 175.339 176.600 -0.168 0.000 0.969 619 K CA -0.743 55.626 56.287 0.137 0.000 0.842 619 K CB 2.168 34.706 32.500 0.065 0.000 1.359 619 K HN 0.306 nan 8.250 nan 0.000 0.441 620 K N 1.710 121.820 120.400 -0.483 0.000 2.205 620 K HA 0.076 4.394 4.320 -0.002 0.000 0.279 620 K C -0.435 175.967 176.600 -0.329 0.000 1.027 620 K CA -0.473 55.409 56.287 -0.675 0.000 0.932 620 K CB 0.944 32.917 32.500 -0.878 0.000 1.032 620 K HN 0.531 nan 8.250 nan 0.000 0.466 621 D N 1.766 122.012 120.400 -0.255 0.000 2.371 621 D HA -0.020 4.619 4.640 -0.002 0.000 0.242 621 D C 0.906 177.150 176.300 -0.093 0.000 1.218 621 D CA 0.242 54.173 54.000 -0.114 0.000 0.945 621 D CB 0.879 41.657 40.800 -0.037 0.000 1.137 621 D HN 0.457 nan 8.370 nan 0.000 0.464 622 E N 0.204 120.394 120.200 -0.017 0.000 2.130 622 E HA -0.196 4.152 4.350 -0.002 0.000 0.196 622 E C 0.376 176.855 176.600 -0.201 0.000 0.998 622 E CA 0.940 57.277 56.400 -0.103 0.000 0.806 622 E CB -0.174 29.486 29.700 -0.067 0.000 0.738 622 E HN 0.407 nan 8.360 nan 0.000 0.459 623 F N 1.169 121.039 119.950 -0.134 0.000 2.573 623 F HA 0.266 4.792 4.527 -0.002 0.000 0.349 623 F C 1.151 176.865 175.800 -0.145 0.000 1.213 623 F CA -0.630 57.301 58.000 -0.116 0.000 1.300 623 F CB 0.475 39.419 39.000 -0.093 0.000 1.661 623 F HN -0.108 nan 8.300 nan 0.000 0.616 624 G N 2.263 111.016 108.800 -0.080 0.000 1.969 624 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.238 624 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.238 624 G C -0.117 174.654 174.900 -0.214 0.000 0.690 624 G CA 0.201 45.188 45.100 -0.187 0.000 0.979 624 G HN 0.474 nan 8.290 nan 0.000 0.375 625 N N -0.369 118.171 118.700 -0.266 0.000 2.284 625 N HA 0.353 5.092 4.740 -0.002 0.000 0.300 625 N C -0.718 174.592 175.510 -0.334 0.000 1.047 625 N CA -0.774 52.152 53.050 -0.206 0.000 0.821 625 N CB 1.172 39.608 38.487 -0.086 0.000 1.337 625 N HN 0.366 nan 8.380 nan 0.000 0.482 626 W N 1.575 122.801 121.300 -0.125 0.000 2.318 626 W HA 0.282 4.940 4.660 -0.002 0.000 0.362 626 W C 0.311 176.686 176.519 -0.240 0.000 0.978 626 W CA -0.491 56.694 57.345 -0.266 0.000 1.509 626 W CB 0.358 29.475 29.460 -0.572 0.000 1.437 626 W HN 0.212 nan 8.180 nan 0.000 0.361 627 E N 1.900 122.112 120.200 0.020 0.000 2.191 627 E HA 0.078 4.427 4.350 -0.002 0.000 0.274 627 E C -0.680 175.981 176.600 0.101 0.000 0.948 627 E CA -1.440 54.971 56.400 0.017 0.000 0.802 627 E CB 1.358 31.037 29.700 -0.035 0.000 1.137 627 E HN 0.158 nan 8.360 nan 0.000 0.397 628 Y N 2.506 122.767 120.300 -0.065 0.000 2.802 628 Y HA -0.048 4.500 4.550 -0.002 0.000 0.333 628 Y C -0.357 175.533 175.900 -0.015 0.000 1.244 628 Y CA -0.249 57.819 58.100 -0.053 0.000 1.558 628 Y CB 0.087 38.401 38.460 -0.242 0.000 1.233 628 Y HN 0.295 nan 8.280 nan 0.000 0.547 629 S N 7.108 123.081 115.700 0.455 0.000 2.520 629 S HA 0.317 4.786 4.470 -0.002 0.000 0.324 629 S C 0.804 175.581 174.600 0.294 0.000 1.069 629 S CA -0.813 57.499 58.200 0.187 0.000 1.121 629 S CB 0.422 63.727 63.200 0.175 0.000 0.971 629 S HN 0.845 nan 8.310 nan 0.000 0.463 630 K N 3.578 123.985 120.400 0.010 0.000 2.103 630 K HA -0.125 4.194 4.320 -0.002 0.000 0.207 630 K C 1.732 178.451 176.600 0.198 0.000 1.048 630 K CA 1.339 57.744 56.287 0.197 0.000 0.930 630 K CB -0.050 32.454 32.500 0.007 0.000 0.716 630 K HN 0.639 nan 8.250 nan 0.000 0.444 631 K N 0.787 121.263 120.400 0.126 0.000 2.032 631 K HA -0.152 4.167 4.320 -0.002 0.000 0.209 631 K C 2.218 178.907 176.600 0.149 0.000 1.048 631 K CA 1.366 57.722 56.287 0.115 0.000 0.927 631 K CB -0.254 32.296 32.500 0.084 0.000 0.712 631 K HN 0.097 nan 8.250 nan 0.000 0.441 632 L N 0.518 121.850 121.223 0.180 0.000 2.034 632 L HA -0.108 4.231 4.340 -0.002 0.000 0.203 632 L C 2.491 179.515 176.870 0.256 0.000 1.074 632 L CA 1.243 56.202 54.840 0.198 0.000 0.748 632 L CB -0.991 41.183 42.059 0.192 0.000 0.905 632 L HN 0.141 nan 8.230 nan 0.000 0.439 633 T N 0.158 114.899 114.554 0.312 0.000 2.751 633 T HA -0.217 4.131 4.350 -0.002 0.000 0.268 633 T C 1.722 176.583 174.700 0.269 0.000 1.045 633 T CA 1.434 63.740 62.100 0.344 0.000 1.142 633 T CB -0.736 68.360 68.868 0.380 0.000 0.851 633 T HN 0.612 nan 8.240 nan 0.000 0.474 634 G N 1.284 110.219 108.800 0.225 0.000 2.556 634 G HA2 -0.126 3.832 3.960 -0.002 0.000 0.215 634 G HA3 -0.126 3.832 3.960 -0.002 0.000 0.215 634 G C 1.455 176.437 174.900 0.138 0.000 1.258 634 G CA 0.579 45.772 45.100 0.154 0.000 0.811 634 G HN 0.529 nan 8.290 nan 0.000 0.557 635 I N -0.564 120.095 120.570 0.148 0.000 2.381 635 I HA -0.263 3.905 4.170 -0.002 0.000 0.255 635 I C 2.352 178.578 176.117 0.181 0.000 1.140 635 I CA 1.753 63.136 61.300 0.138 0.000 1.404 635 I CB -0.066 38.010 38.000 0.127 0.000 1.075 635 I HN 0.354 nan 8.210 nan 0.000 0.433 636 Y N 1.252 121.600 120.300 0.081 0.000 2.109 636 Y HA -0.159 4.390 4.550 -0.002 0.000 0.281 636 Y C 2.139 178.075 175.900 0.060 0.000 1.113 636 Y CA 1.630 59.772 58.100 0.069 0.000 1.098 636 Y CB -0.997 37.508 38.460 0.075 0.000 0.996 636 Y HN 0.065 nan 8.280 nan 0.000 0.485 637 L N 0.638 121.655 121.223 -0.343 0.000 2.137 637 L HA -0.308 4.031 4.340 -0.002 0.000 0.213 637 L C 2.095 178.841 176.870 -0.207 0.000 1.085 637 L CA 1.652 56.226 54.840 -0.443 0.000 0.760 637 L CB -0.617 41.344 42.059 -0.164 0.000 0.893 637 L HN 0.325 nan 8.230 nan 0.000 0.434 638 D N -0.341 120.015 120.400 -0.073 0.000 2.078 638 D HA -0.157 4.481 4.640 -0.002 0.000 0.193 638 D C 2.076 178.366 176.300 -0.016 0.000 0.990 638 D CA 1.626 55.616 54.000 -0.016 0.000 0.827 638 D CB -0.579 40.236 40.800 0.026 0.000 0.975 638 D HN 0.350 nan 8.370 nan 0.000 0.451 639 G N 0.911 109.711 108.800 0.000 0.000 2.440 639 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.218 639 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.218 639 G C 1.575 176.466 174.900 -0.015 0.000 1.154 639 G CA 0.662 45.774 45.100 0.020 0.000 0.767 639 G HN 0.222 nan 8.290 nan 0.000 0.552 640 L N 0.612 121.753 121.223 -0.137 0.000 2.081 640 L HA -0.063 4.276 4.340 -0.002 0.000 0.212 640 L C 2.460 179.355 176.870 0.042 0.000 1.080 640 L CA 2.231 56.946 54.840 -0.209 0.000 0.754 640 L CB -0.430 41.313 42.059 -0.527 0.000 0.893 640 L HN 0.322 nan 8.230 nan 0.000 0.433 641 E N -0.708 119.510 120.200 0.031 0.000 2.051 641 E HA -0.121 4.228 4.350 -0.002 0.000 0.189 641 E C 2.090 178.748 176.600 0.097 0.000 0.979 641 E CA 0.943 57.401 56.400 0.097 0.000 0.803 641 E CB -0.028 29.693 29.700 0.034 0.000 0.761 641 E HN 0.534 nan 8.360 nan 0.000 0.451 642 A N 1.403 124.255 122.820 0.053 0.000 2.032 642 A HA -0.189 4.130 4.320 -0.002 0.000 0.221 642 A C 2.321 179.936 177.584 0.052 0.000 1.165 642 A CA 2.033 54.095 52.037 0.040 0.000 0.645 642 A CB -0.568 18.447 19.000 0.025 0.000 0.807 642 A HN 0.364 nan 8.150 nan 0.000 0.453 643 A N -0.137 122.741 122.820 0.097 0.000 1.855 643 A HA 0.210 4.529 4.320 -0.002 0.000 0.215 643 A C 2.510 180.169 177.584 0.126 0.000 1.191 643 A CA 1.928 54.041 52.037 0.126 0.000 0.613 643 A CB -1.182 17.956 19.000 0.229 0.000 0.829 643 A HN 1.189 nan 8.150 nan 0.000 0.442 644 A N -0.767 122.212 122.820 0.264 0.000 2.076 644 A HA -0.153 4.166 4.320 -0.002 0.000 0.220 644 A C 2.204 179.796 177.584 0.014 0.000 1.160 644 A CA 1.615 53.721 52.037 0.115 0.000 0.653 644 A CB -0.366 18.776 19.000 0.238 0.000 0.801 644 A HN 0.576 nan 8.150 nan 0.000 0.455 645 R N -0.543 119.971 120.500 0.024 0.000 1.981 645 R HA 0.028 4.366 4.340 -0.002 0.000 0.207 645 R C 2.010 178.294 176.300 -0.028 0.000 1.375 645 R CA 1.221 57.319 56.100 -0.003 0.000 1.068 645 R CB -0.431 29.872 30.300 0.006 0.000 0.890 645 R HN 0.551 nan 8.270 nan 0.000 0.481 646 S N 0.086 115.772 115.700 -0.022 0.000 2.597 646 S HA 0.284 4.753 4.470 -0.002 0.000 0.224 646 S C 0.817 175.389 174.600 -0.048 0.000 0.955 646 S CA -0.041 58.141 58.200 -0.031 0.000 0.933 646 S CB 0.510 63.699 63.200 -0.020 0.000 0.788 646 S HN 0.741 nan 8.310 nan 0.000 0.488 647 G N 0.957 109.717 108.800 -0.066 0.000 2.642 647 G HA2 0.013 3.972 3.960 -0.002 0.000 0.231 647 G HA3 0.013 3.972 3.960 -0.002 0.000 0.231 647 G C -1.082 173.773 174.900 -0.076 0.000 1.338 647 G CA -0.194 44.844 45.100 -0.102 0.000 0.883 647 G HN 1.311 nan 8.290 nan 0.000 0.570 648 L N -0.971 120.196 121.223 -0.094 0.000 2.641 648 L HA 0.738 5.077 4.340 -0.002 0.000 0.261 648 L C -0.016 176.685 176.870 -0.283 0.000 0.926 648 L CA 0.456 55.201 54.840 -0.158 0.000 0.917 648 L CB 1.775 43.776 42.059 -0.098 0.000 1.361 648 L HN 1.347 nan 8.230 nan 0.000 0.417 649 T N 3.566 117.921 114.554 -0.330 0.000 2.929 649 T HA 0.619 4.967 4.350 -0.002 0.000 0.284 649 T C -0.120 174.286 174.700 -0.490 0.000 1.014 649 T CA 0.016 61.938 62.100 -0.296 0.000 1.051 649 T CB 0.538 69.338 68.868 -0.114 0.000 1.028 649 T HN 0.412 nan 8.240 nan 0.000 0.485 650 F N 1.258 121.223 119.950 0.026 0.000 2.735 650 F HA 0.394 4.920 4.527 -0.002 0.000 0.308 650 F C 1.122 176.917 175.800 -0.008 0.000 1.112 650 F CA -0.652 57.354 58.000 0.011 0.000 1.235 650 F CB 0.140 39.108 39.000 -0.053 0.000 1.027 650 F HN 0.509 nan 8.300 nan 0.000 0.528 651 Q N 0.707 120.568 119.800 0.101 0.000 2.398 651 Q HA 0.210 4.548 4.340 -0.002 0.000 0.329 651 Q C 1.466 177.467 176.000 0.002 0.000 1.079 651 Q CA 1.584 57.412 55.803 0.041 0.000 1.041 651 Q CB 0.248 28.995 28.738 0.014 0.000 1.084 651 Q HN 0.724 nan 8.270 nan 0.000 0.386 652 G N 3.027 111.790 108.800 -0.060 0.000 2.205 652 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.261 652 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.261 652 G C -0.257 174.449 174.900 -0.323 0.000 0.980 652 G CA 0.204 45.203 45.100 -0.169 0.000 0.632 652 G HN 0.517 nan 8.290 nan 0.000 0.533 653 K N 1.073 121.365 120.400 -0.179 0.000 2.185 653 K HA 0.493 4.812 4.320 -0.002 0.000 0.271 653 K C -0.214 176.195 176.600 -0.318 0.000 1.013 653 K CA -0.361 55.830 56.287 -0.161 0.000 0.943 653 K CB 0.733 33.358 32.500 0.209 0.000 0.998 653 K HN 0.410 nan 8.250 nan 0.000 0.468 654 H N -0.182 118.788 119.070 -0.167 0.000 2.469 654 H HA 0.606 5.161 4.556 -0.002 0.000 0.342 654 H C -0.583 174.691 175.328 -0.090 0.000 1.115 654 H CA -0.790 55.050 56.048 -0.346 0.000 1.204 654 H CB 1.902 31.366 29.762 -0.497 0.000 1.492 654 H HN 0.674 nan 8.280 nan 0.000 0.499 655 A N 2.753 125.600 122.820 0.045 0.000 2.520 655 A HA 0.462 4.781 4.320 -0.002 0.000 0.298 655 A C -1.457 176.195 177.584 0.114 0.000 1.051 655 A CA -0.660 51.444 52.037 0.111 0.000 0.690 655 A CB 1.807 20.830 19.000 0.039 0.000 1.281 655 A HN 0.488 nan 8.150 nan 0.000 0.402 656 L N 1.886 123.173 121.223 0.106 0.000 2.309 656 L HA 0.887 5.225 4.340 -0.002 0.000 0.282 656 L C -0.598 176.264 176.870 -0.012 0.000 1.036 656 L CA -0.155 54.721 54.840 0.060 0.000 0.806 656 L CB 0.891 42.979 42.059 0.049 0.000 1.220 656 L HN 0.712 nan 8.230 nan 0.000 0.429 657 M N 4.750 124.321 119.600 -0.049 0.000 2.213 657 M HA 0.388 4.867 4.480 -0.002 0.000 0.286 657 M C -0.764 175.499 176.300 -0.062 0.000 1.008 657 M CA -0.541 54.710 55.300 -0.080 0.000 0.937 657 M CB 2.244 34.776 32.600 -0.113 0.000 1.600 657 M HN 0.785 nan 8.290 nan 0.000 0.450 658 T N -1.183 113.359 114.554 -0.021 0.000 2.856 658 T HA 0.765 5.114 4.350 -0.002 0.000 0.283 658 T C 0.783 175.555 174.700 0.120 0.000 1.008 658 T CA 0.268 62.390 62.100 0.038 0.000 0.997 658 T CB 1.826 70.725 68.868 0.052 0.000 0.992 658 T HN 1.040 nan 8.240 nan 0.000 0.454 659 G N 1.129 110.013 108.800 0.141 0.000 2.131 659 G HA2 -0.004 3.954 3.960 -0.002 0.000 0.223 659 G HA3 -0.004 3.954 3.960 -0.002 0.000 0.223 659 G C 0.515 175.501 174.900 0.144 0.000 0.990 659 G CA -0.193 45.008 45.100 0.168 0.000 0.671 659 G HN 1.599 nan 8.290 nan 0.000 0.521 660 A N 0.534 123.427 122.820 0.121 0.000 2.840 660 A HA 0.665 4.983 4.320 -0.002 0.000 0.269 660 A C 1.530 179.224 177.584 0.184 0.000 1.439 660 A CA 1.131 53.249 52.037 0.136 0.000 1.083 660 A CB -0.524 18.564 19.000 0.146 0.000 1.019 660 A HN 1.774 nan 8.150 nan 0.000 0.607 661 G N -0.396 108.462 108.800 0.098 0.000 2.690 661 G HA2 0.431 4.390 3.960 -0.002 0.000 0.239 661 G HA3 0.431 4.390 3.960 -0.002 0.000 0.239 661 G C 0.566 175.371 174.900 -0.158 0.000 1.233 661 G CA 0.072 45.159 45.100 -0.022 0.000 0.847 661 G HN 1.107 nan 8.290 nan 0.000 0.588 662 A N -0.270 122.266 122.820 -0.475 0.000 2.546 662 A HA 0.514 4.832 4.320 -0.002 0.000 0.243 662 A C 1.618 179.122 177.584 -0.133 0.000 1.063 662 A CA 1.090 52.792 52.037 -0.558 0.000 0.757 662 A CB -0.530 17.965 19.000 -0.840 0.000 0.991 662 A HN 2.662 nan 8.150 nan 0.000 0.503 663 G N 1.840 110.654 108.800 0.023 0.000 2.295 663 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.287 663 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.287 663 G C 0.318 175.245 174.900 0.046 0.000 1.055 663 G CA 0.952 46.078 45.100 0.044 0.000 0.922 663 G HN 2.274 nan 8.290 nan 0.000 0.503 664 S N -1.613 114.122 115.700 0.059 0.000 2.677 664 S HA 0.755 5.223 4.470 -0.002 0.000 0.304 664 S C 1.458 176.120 174.600 0.103 0.000 1.108 664 S CA -0.451 57.799 58.200 0.083 0.000 0.944 664 S CB 1.762 65.015 63.200 0.088 0.000 1.127 664 S HN 0.231 nan 8.310 nan 0.000 0.511 665 I N 1.149 121.805 120.570 0.144 0.000 2.151 665 I HA -0.141 4.027 4.170 -0.002 0.000 0.243 665 I C 2.751 178.908 176.117 0.067 0.000 1.080 665 I CA 1.863 63.258 61.300 0.157 0.000 1.339 665 I CB -1.182 36.987 38.000 0.282 0.000 1.039 665 I HN 0.946 nan 8.210 nan 0.000 0.409 666 G N 0.598 109.429 108.800 0.052 0.000 2.469 666 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.220 666 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.220 666 G C 1.855 176.723 174.900 -0.054 0.000 1.136 666 G CA 1.013 46.028 45.100 -0.141 0.000 0.759 666 G HN 0.530 nan 8.290 nan 0.000 0.562 667 A N 0.507 123.351 122.820 0.040 0.000 1.908 667 A HA -0.065 4.254 4.320 -0.002 0.000 0.218 667 A C 2.286 179.887 177.584 0.029 0.000 1.181 667 A CA 2.042 54.130 52.037 0.085 0.000 0.627 667 A CB -0.296 18.777 19.000 0.122 0.000 0.818 667 A HN 0.328 nan 8.150 nan 0.000 0.445 668 E N -0.217 119.988 120.200 0.008 0.000 2.046 668 E HA -0.089 4.260 4.350 -0.002 0.000 0.190 668 E C 2.267 178.810 176.600 -0.096 0.000 0.982 668 E CA 1.274 57.663 56.400 -0.018 0.000 0.800 668 E CB -0.740 28.978 29.700 0.029 0.000 0.756 668 E HN 0.372 nan 8.360 nan 0.000 0.449 669 V N 2.212 122.048 119.914 -0.129 0.000 2.380 669 V HA -0.276 3.843 4.120 -0.002 0.000 0.251 669 V C 2.554 178.492 176.094 -0.260 0.000 1.063 669 V CA 1.663 63.823 62.300 -0.234 0.000 1.055 669 V CB -0.732 30.912 31.823 -0.298 0.000 0.657 669 V HN 0.160 nan 8.190 nan 0.000 0.455 670 L N 0.599 121.719 121.223 -0.172 0.000 1.956 670 L HA -0.277 4.062 4.340 -0.002 0.000 0.216 670 L C 2.614 179.413 176.870 -0.117 0.000 1.073 670 L CA 2.222 56.990 54.840 -0.119 0.000 0.762 670 L CB -0.938 41.128 42.059 0.012 0.000 0.889 670 L HN 0.393 nan 8.230 nan 0.000 0.433 671 Q N -0.363 119.385 119.800 -0.088 0.000 2.217 671 Q HA -0.202 4.137 4.340 -0.002 0.000 0.209 671 Q C 2.059 177.985 176.000 -0.124 0.000 0.988 671 Q CA 1.412 57.164 55.803 -0.084 0.000 0.878 671 Q CB -0.834 27.860 28.738 -0.074 0.000 0.909 671 Q HN 0.776 nan 8.270 nan 0.000 0.424 672 G N 1.672 110.319 108.800 -0.255 0.000 2.587 672 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.217 672 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.217 672 G C 1.317 176.108 174.900 -0.182 0.000 1.240 672 G CA 1.060 45.883 45.100 -0.462 0.000 0.794 672 G HN 0.207 nan 8.290 nan 0.000 0.580 673 L N 0.384 121.425 121.223 -0.304 0.000 2.187 673 L HA 0.003 4.342 4.340 -0.002 0.000 0.213 673 L C 2.774 179.616 176.870 -0.046 0.000 1.100 673 L CA 0.635 55.288 54.840 -0.311 0.000 0.765 673 L CB -0.359 41.338 42.059 -0.602 0.000 0.904 673 L HN 0.166 nan 8.230 nan 0.000 0.437 674 L N -1.682 119.516 121.223 -0.042 0.000 2.217 674 L HA -0.135 4.203 4.340 -0.002 0.000 0.211 674 L C 2.479 179.361 176.870 0.019 0.000 1.107 674 L CA 0.743 55.592 54.840 0.014 0.000 0.783 674 L CB -0.318 41.750 42.059 0.016 0.000 0.919 674 L HN 0.202 nan 8.230 nan 0.000 0.442 675 S N -0.468 115.259 115.700 0.046 0.000 2.414 675 S HA 0.027 4.496 4.470 -0.002 0.000 0.227 675 S C 1.156 175.825 174.600 0.115 0.000 1.022 675 S CA 0.537 58.782 58.200 0.075 0.000 0.958 675 S CB -0.173 63.101 63.200 0.123 0.000 0.797 675 S HN 0.504 nan 8.310 nan 0.000 0.493 676 G N -0.025 108.895 108.800 0.201 0.000 2.616 676 G HA2 0.428 4.387 3.960 -0.002 0.000 0.268 676 G HA3 0.428 4.387 3.960 -0.002 0.000 0.268 676 G C 0.668 175.652 174.900 0.139 0.000 1.213 676 G CA -0.198 45.019 45.100 0.193 0.000 0.926 676 G HN 0.336 nan 8.290 nan 0.000 0.523 677 G N -0.666 108.198 108.800 0.107 0.000 3.340 677 G HA2 0.435 4.394 3.960 -0.002 0.000 0.240 677 G HA3 0.435 4.394 3.960 -0.002 0.000 0.240 677 G C 0.615 175.552 174.900 0.061 0.000 1.327 677 G CA 0.647 45.791 45.100 0.073 0.000 1.170 677 G HN 0.879 nan 8.290 nan 0.000 0.520 678 A N 0.547 123.411 122.820 0.072 0.000 2.363 678 A HA 0.598 4.917 4.320 -0.002 0.000 0.270 678 A C 0.330 177.910 177.584 -0.006 0.000 1.121 678 A CA -0.443 51.597 52.037 0.005 0.000 0.800 678 A CB 0.685 19.652 19.000 -0.055 0.000 1.052 678 A HN 0.335 nan 8.150 nan 0.000 0.493 679 K N 1.372 121.721 120.400 -0.085 0.000 2.234 679 K HA 0.510 4.828 4.320 -0.002 0.000 0.277 679 K C -0.658 175.812 176.600 -0.218 0.000 1.038 679 K CA -0.386 55.818 56.287 -0.138 0.000 0.888 679 K CB 1.444 33.747 32.500 -0.328 0.000 1.091 679 K HN 0.601 nan 8.250 nan 0.000 0.467 680 V N 0.733 120.669 119.914 0.037 0.000 2.876 680 V HA 0.567 4.686 4.120 -0.002 0.000 0.312 680 V C -0.577 175.723 176.094 0.343 0.000 1.085 680 V CA -1.141 61.241 62.300 0.138 0.000 0.945 680 V CB 1.857 33.696 31.823 0.026 0.000 1.017 680 V HN 0.762 nan 8.190 nan 0.000 0.428 681 I N 3.406 124.191 120.570 0.359 0.000 2.339 681 I HA 0.668 4.837 4.170 -0.002 0.000 0.290 681 I C -0.917 175.213 176.117 0.020 0.000 0.994 681 I CA -0.613 60.788 61.300 0.167 0.000 1.191 681 I CB 1.373 39.422 38.000 0.082 0.000 1.343 681 I HN 0.612 nan 8.210 nan 0.000 0.458 682 V N 5.861 125.737 119.914 -0.064 0.000 2.513 682 V HA 0.449 4.568 4.120 -0.002 0.000 0.299 682 V C 0.269 176.269 176.094 -0.156 0.000 1.035 682 V CA -0.507 61.706 62.300 -0.146 0.000 0.889 682 V CB 1.935 33.577 31.823 -0.301 0.000 0.988 682 V HN 0.811 nan 8.190 nan 0.000 0.440 683 T N 0.605 115.101 114.554 -0.097 0.000 2.867 683 T HA 0.631 4.980 4.350 -0.002 0.000 0.282 683 T C -0.305 174.448 174.700 0.088 0.000 1.000 683 T CA -0.522 61.580 62.100 0.005 0.000 1.042 683 T CB 1.552 70.411 68.868 -0.016 0.000 0.973 683 T HN 0.570 nan 8.240 nan 0.000 0.465 684 T N 1.629 116.278 114.554 0.158 0.000 2.881 684 T HA 0.454 4.802 4.350 -0.002 0.000 0.290 684 T C 1.016 175.847 174.700 0.218 0.000 1.000 684 T CA -0.530 61.678 62.100 0.180 0.000 0.978 684 T CB 1.555 70.513 68.868 0.150 0.000 0.997 684 T HN 0.856 nan 8.240 nan 0.000 0.443 685 S N 3.363 119.161 115.700 0.164 0.000 2.575 685 S HA 0.197 4.665 4.470 -0.002 0.000 0.215 685 S C 0.726 175.382 174.600 0.094 0.000 0.966 685 S CA -0.268 57.999 58.200 0.111 0.000 0.911 685 S CB 0.053 63.290 63.200 0.062 0.000 0.780 685 S HN 0.618 nan 8.310 nan 0.000 0.514 686 R N 0.703 121.275 120.500 0.120 0.000 2.701 686 R HA 0.261 4.599 4.340 -0.002 0.000 0.281 686 R C -1.263 175.133 176.300 0.160 0.000 1.367 686 R CA -0.428 55.734 56.100 0.103 0.000 1.510 686 R CB 0.059 30.389 30.300 0.049 0.000 1.306 686 R HN 0.476 nan 8.270 nan 0.000 0.682 687 F N 2.105 122.077 119.950 0.036 0.000 2.502 687 F HA 0.066 4.592 4.527 -0.002 0.000 0.361 687 F C -0.019 175.802 175.800 0.035 0.000 1.157 687 F CA 0.395 58.423 58.000 0.046 0.000 1.096 687 F CB 0.396 39.412 39.000 0.027 0.000 1.141 687 F HN 0.103 nan 8.300 nan 0.000 0.579 688 S N 5.643 121.442 115.700 0.167 0.000 2.776 688 S HA 0.383 4.852 4.470 -0.002 0.000 0.306 688 S C 1.097 175.753 174.600 0.094 0.000 1.114 688 S CA -0.982 57.312 58.200 0.157 0.000 0.973 688 S CB 1.720 64.959 63.200 0.064 0.000 1.250 688 S HN 0.789 nan 8.310 nan 0.000 0.549 689 R N 0.618 121.173 120.500 0.091 0.000 2.062 689 R HA -0.049 4.290 4.340 -0.002 0.000 0.229 689 R C 2.295 178.600 176.300 0.008 0.000 1.128 689 R CA 1.258 57.390 56.100 0.053 0.000 0.960 689 R CB -0.419 29.915 30.300 0.055 0.000 0.855 689 R HN 0.733 nan 8.270 nan 0.000 0.432 690 Q N 0.502 120.307 119.800 0.007 0.000 2.077 690 Q HA -0.158 4.181 4.340 -0.002 0.000 0.206 690 Q C 1.951 177.938 176.000 -0.021 0.000 0.989 690 Q CA 2.261 58.059 55.803 -0.010 0.000 0.853 690 Q CB -0.005 28.725 28.738 -0.013 0.000 0.907 690 Q HN 0.333 nan 8.270 nan 0.000 0.418 691 V N 0.503 120.391 119.914 -0.044 0.000 2.358 691 V HA -0.227 3.892 4.120 -0.002 0.000 0.246 691 V C 2.391 178.515 176.094 0.049 0.000 1.047 691 V CA 2.065 64.333 62.300 -0.055 0.000 1.035 691 V CB -0.897 30.893 31.823 -0.056 0.000 0.658 691 V HN 0.440 nan 8.190 nan 0.000 0.452 692 T N -0.344 114.171 114.554 -0.065 0.000 2.652 692 T HA -0.239 4.110 4.350 -0.002 0.000 0.267 692 T C 1.842 176.578 174.700 0.060 0.000 1.039 692 T CA 1.982 64.072 62.100 -0.018 0.000 1.153 692 T CB -0.225 68.599 68.868 -0.073 0.000 0.863 692 T HN 0.596 nan 8.240 nan 0.000 0.428 693 E N -0.322 119.875 120.200 -0.005 0.000 2.031 693 E HA -0.162 4.186 4.350 -0.002 0.000 0.193 693 E C 1.917 178.447 176.600 -0.117 0.000 0.994 693 E CA 1.325 57.678 56.400 -0.079 0.000 0.800 693 E CB -0.357 29.300 29.700 -0.072 0.000 0.752 693 E HN 0.610 nan 8.360 nan 0.000 0.447 694 Y N 0.757 120.933 120.300 -0.207 0.000 1.997 694 Y HA -0.403 4.146 4.550 -0.002 0.000 0.265 694 Y C 2.064 177.774 175.900 -0.316 0.000 1.193 694 Y CA 2.245 60.172 58.100 -0.288 0.000 1.106 694 Y CB -0.728 37.505 38.460 -0.378 0.000 0.940 694 Y HN 0.105 nan 8.280 nan 0.000 0.494 695 Y N 0.256 120.569 120.300 0.022 0.000 2.274 695 Y HA -0.300 4.249 4.550 -0.002 0.000 0.290 695 Y C 2.744 178.398 175.900 -0.409 0.000 1.145 695 Y CA 1.372 59.404 58.100 -0.113 0.000 1.203 695 Y CB -0.571 37.948 38.460 0.098 0.000 0.984 695 Y HN 0.411 nan 8.280 nan 0.000 0.533 696 Q N 0.529 120.028 119.800 -0.502 0.000 2.020 696 Q HA -0.115 4.223 4.340 -0.002 0.000 0.202 696 Q C 2.482 178.145 176.000 -0.561 0.000 0.982 696 Q CA 2.126 57.423 55.803 -0.843 0.000 0.838 696 Q CB -1.085 27.190 28.738 -0.771 0.000 0.899 696 Q HN 0.340 nan 8.270 nan 0.000 0.423 697 G N 1.341 109.853 108.800 -0.480 0.000 2.513 697 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.219 697 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.219 697 G C 1.505 176.153 174.900 -0.421 0.000 1.160 697 G CA 1.307 46.136 45.100 -0.451 0.000 0.767 697 G HN 0.425 nan 8.290 nan 0.000 0.571 698 I N -0.877 119.436 120.570 -0.428 0.000 2.076 698 I HA -0.223 3.946 4.170 -0.002 0.000 0.237 698 I C 2.456 178.452 176.117 -0.201 0.000 1.059 698 I CA 1.679 62.791 61.300 -0.312 0.000 1.317 698 I CB -0.461 37.377 38.000 -0.270 0.000 1.037 698 I HN 0.234 nan 8.210 nan 0.000 0.398 699 Y N 1.645 121.791 120.300 -0.256 0.000 2.315 699 Y HA -0.264 4.285 4.550 -0.002 0.000 0.288 699 Y C 2.433 178.210 175.900 -0.206 0.000 1.154 699 Y CA 1.307 59.311 58.100 -0.161 0.000 1.229 699 Y CB -0.232 38.171 38.460 -0.095 0.000 0.980 699 Y HN 0.168 nan 8.280 nan 0.000 0.540 700 A N -0.030 122.566 122.820 -0.373 0.000 2.015 700 A HA -0.113 4.206 4.320 -0.002 0.000 0.219 700 A C 2.131 179.543 177.584 -0.287 0.000 1.163 700 A CA 1.653 53.339 52.037 -0.585 0.000 0.646 700 A CB -0.291 18.184 19.000 -0.876 0.000 0.806 700 A HN 0.538 nan 8.150 nan 0.000 0.448 701 R N -2.829 117.514 120.500 -0.262 0.000 2.446 701 R HA 0.203 4.541 4.340 -0.002 0.000 0.254 701 R C 0.887 177.094 176.300 -0.155 0.000 0.918 701 R CA 0.546 56.539 56.100 -0.177 0.000 1.069 701 R CB 0.278 30.473 30.300 -0.175 0.000 1.194 701 R HN 0.524 nan 8.270 nan 0.000 0.534 702 C N -0.947 118.231 119.300 -0.202 0.000 3.123 702 C HA 0.269 4.728 4.460 -0.002 0.000 0.399 702 C C 1.437 176.293 174.990 -0.222 0.000 1.320 702 C CA -0.532 58.390 59.018 -0.160 0.000 1.949 702 C CB 0.162 27.831 27.740 -0.118 0.000 2.692 702 C HN 0.479 nan 8.230 nan 0.000 0.623 703 G N 2.068 110.582 108.800 -0.477 0.000 2.472 703 G HA2 0.426 4.384 3.960 -0.002 0.000 0.291 703 G HA3 0.426 4.384 3.960 -0.002 0.000 0.291 703 G C 0.452 175.152 174.900 -0.333 0.000 0.898 703 G CA 0.760 45.420 45.100 -0.735 0.000 1.645 703 G HN 0.676 nan 8.290 nan 0.000 0.459 704 A N 3.454 126.194 122.820 -0.134 0.000 2.366 704 A HA 0.495 4.814 4.320 -0.002 0.000 0.250 704 A C 1.136 178.728 177.584 0.013 0.000 1.099 704 A CA -0.563 51.453 52.037 -0.035 0.000 0.794 704 A CB 0.282 19.287 19.000 0.008 0.000 1.056 704 A HN 0.763 nan 8.150 nan 0.000 0.499 705 R N -0.455 120.071 120.500 0.042 0.000 2.583 705 R HA 0.221 4.560 4.340 -0.002 0.000 0.274 705 R C 1.365 177.714 176.300 0.081 0.000 0.998 705 R CA 1.635 57.780 56.100 0.075 0.000 1.081 705 R CB -0.273 30.066 30.300 0.065 0.000 0.940 705 R HN 1.673 nan 8.270 nan 0.000 0.413 706 G N 2.009 110.874 108.800 0.109 0.000 2.253 706 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.251 706 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.251 706 G C 0.120 175.093 174.900 0.121 0.000 0.998 706 G CA 0.389 45.548 45.100 0.098 0.000 0.621 706 G HN 0.848 nan 8.290 nan 0.000 0.524 707 S N -0.519 115.274 115.700 0.156 0.000 2.608 707 S HA 0.632 5.101 4.470 -0.002 0.000 0.261 707 S C -0.118 174.690 174.600 0.348 0.000 1.314 707 S CA 0.903 59.231 58.200 0.213 0.000 0.992 707 S CB 1.932 65.251 63.200 0.198 0.000 0.935 707 S HN 1.179 nan 8.310 nan 0.000 0.564 708 Q N 0.159 120.161 119.800 0.336 0.000 2.403 708 Q HA 0.513 4.852 4.340 -0.002 0.000 0.267 708 Q C -2.187 173.920 176.000 0.180 0.000 0.991 708 Q CA -0.560 55.377 55.803 0.223 0.000 0.906 708 Q CB 1.536 30.389 28.738 0.191 0.000 1.422 708 Q HN 0.834 nan 8.270 nan 0.000 0.400 709 L N 3.923 125.129 121.223 -0.029 0.000 2.341 709 L HA 0.734 5.073 4.340 -0.002 0.000 0.278 709 L C -1.429 175.449 176.870 0.013 0.000 1.005 709 L CA -0.880 54.007 54.840 0.078 0.000 0.818 709 L CB 2.029 44.180 42.059 0.153 0.000 1.259 709 L HN 0.535 nan 8.230 nan 0.000 0.418 710 V N 5.488 125.427 119.914 0.042 0.000 2.398 710 V HA 0.320 4.439 4.120 -0.002 0.000 0.282 710 V C -0.069 175.976 176.094 -0.081 0.000 1.014 710 V CA -0.550 61.714 62.300 -0.060 0.000 0.838 710 V CB 1.859 33.653 31.823 -0.048 0.000 1.018 710 V HN 0.476 nan 8.190 nan 0.000 0.432 711 V N 4.974 124.802 119.914 -0.144 0.000 2.716 711 V HA 0.760 4.879 4.120 -0.002 0.000 0.304 711 V C -0.085 175.988 176.094 -0.034 0.000 1.053 711 V CA -0.584 61.619 62.300 -0.163 0.000 0.984 711 V CB 1.949 33.628 31.823 -0.240 0.000 1.021 711 V HN 0.528 nan 8.190 nan 0.000 0.467 712 V N 3.440 123.386 119.914 0.053 0.000 3.023 712 V HA 0.397 4.515 4.120 -0.002 0.000 0.294 712 V C -2.725 173.570 176.094 0.334 0.000 1.324 712 V CA -1.249 61.169 62.300 0.197 0.000 0.979 712 V CB 3.033 34.959 31.823 0.172 0.000 1.093 712 V HN 0.791 nan 8.190 nan 0.000 0.434 713 P HA 0.590 nan 4.420 nan 0.000 0.277 713 P C -1.336 176.208 177.300 0.406 0.000 1.240 713 P CA -0.199 63.118 63.100 0.363 0.000 0.798 713 P CB 0.671 32.402 31.700 0.051 0.000 0.979 714 F N 0.684 120.722 119.950 0.147 0.000 2.725 714 F HA 0.365 4.890 4.527 -0.003 0.000 0.311 714 F C -2.032 173.802 175.800 0.057 0.000 1.121 714 F CA -0.596 57.475 58.000 0.119 0.000 0.978 714 F CB 1.579 40.636 39.000 0.095 0.000 1.274 714 F HN 0.314 nan 8.300 nan 0.000 0.440 715 N N 5.257 123.409 118.700 -0.914 0.000 2.576 715 N HA 0.140 4.879 4.740 -0.002 0.000 0.269 715 N C -0.254 174.661 175.510 -0.991 0.000 1.058 715 N CA -0.276 52.368 53.050 -0.676 0.000 0.860 715 N CB 1.847 40.117 38.487 -0.361 0.000 1.249 715 N HN 0.981 nan 8.380 nan 0.000 0.525 716 Q N 2.366 121.756 119.800 -0.683 0.000 2.437 716 Q HA -0.023 4.315 4.340 -0.002 0.000 0.210 716 Q C 1.535 177.410 176.000 -0.208 0.000 0.972 716 Q CA 1.202 56.824 55.803 -0.301 0.000 0.903 716 Q CB 0.039 28.875 28.738 0.163 0.000 0.967 716 Q HN 0.812 nan 8.270 nan 0.000 0.486 717 G N -0.228 108.430 108.800 -0.237 0.000 2.776 717 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.209 717 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.209 717 G C 0.212 174.969 174.900 -0.238 0.000 1.145 717 G CA 0.392 45.365 45.100 -0.211 0.000 0.791 717 G HN 0.221 nan 8.290 nan 0.000 0.530 718 S N -0.346 115.194 115.700 -0.267 0.000 2.566 718 S HA 0.325 4.793 4.470 -0.002 0.000 0.324 718 S C 1.172 175.672 174.600 -0.166 0.000 1.081 718 S CA -0.604 57.460 58.200 -0.227 0.000 1.105 718 S CB 1.432 64.483 63.200 -0.249 0.000 0.981 718 S HN 0.277 nan 8.310 nan 0.000 0.464 719 K N 3.870 124.201 120.400 -0.115 0.000 2.089 719 K HA -0.213 4.106 4.320 -0.002 0.000 0.210 719 K C 1.685 178.244 176.600 -0.068 0.000 1.048 719 K CA 1.946 58.188 56.287 -0.075 0.000 0.926 719 K CB -0.172 32.293 32.500 -0.058 0.000 0.714 719 K HN 0.796 nan 8.250 nan 0.000 0.448 720 Q N 0.259 120.011 119.800 -0.079 0.000 2.020 720 Q HA -0.180 4.159 4.340 -0.002 0.000 0.202 720 Q C 1.908 177.885 176.000 -0.039 0.000 0.982 720 Q CA 1.704 57.473 55.803 -0.058 0.000 0.838 720 Q CB -0.160 28.540 28.738 -0.063 0.000 0.899 720 Q HN 0.383 nan 8.270 nan 0.000 0.423 721 D N 0.141 120.502 120.400 -0.065 0.000 2.116 721 D HA -0.151 4.488 4.640 -0.002 0.000 0.193 721 D C 1.987 178.333 176.300 0.076 0.000 0.998 721 D CA 0.977 54.957 54.000 -0.033 0.000 0.836 721 D CB -0.283 40.357 40.800 -0.267 0.000 0.951 721 D HN -0.000 nan 8.370 nan 0.000 0.449 722 V N 0.733 120.703 119.914 0.093 0.000 2.231 722 V HA -0.290 3.829 4.120 -0.002 0.000 0.250 722 V C 2.269 178.370 176.094 0.011 0.000 1.058 722 V CA 2.109 64.509 62.300 0.167 0.000 1.022 722 V CB -0.520 31.349 31.823 0.077 0.000 0.640 722 V HN 0.229 nan 8.190 nan 0.000 0.445 723 E N -0.364 119.818 120.200 -0.031 0.000 2.204 723 E HA -0.116 4.232 4.350 -0.002 0.000 0.194 723 E C 2.215 178.766 176.600 -0.080 0.000 0.989 723 E CA 1.119 57.481 56.400 -0.063 0.000 0.824 723 E CB -0.318 29.348 29.700 -0.058 0.000 0.756 723 E HN 0.628 nan 8.360 nan 0.000 0.477 724 A N 1.099 123.868 122.820 -0.085 0.000 1.872 724 A HA -0.126 4.193 4.320 -0.002 0.000 0.214 724 A C 2.119 179.469 177.584 -0.391 0.000 1.187 724 A CA 0.741 52.714 52.037 -0.108 0.000 0.614 724 A CB -0.654 18.363 19.000 0.028 0.000 0.826 724 A HN 0.272 nan 8.150 nan 0.000 0.442 725 L N 0.107 120.945 121.223 -0.642 0.000 1.971 725 L HA -0.210 4.129 4.340 -0.002 0.000 0.215 725 L C 2.477 179.143 176.870 -0.340 0.000 1.072 725 L CA 2.132 56.468 54.840 -0.841 0.000 0.758 725 L CB -0.418 41.301 42.059 -0.567 0.000 0.889 725 L HN 0.260 nan 8.230 nan 0.000 0.433 726 V N 0.643 120.440 119.914 -0.195 0.000 2.380 726 V HA -0.342 3.777 4.120 -0.002 0.000 0.251 726 V C 2.282 178.382 176.094 0.010 0.000 1.063 726 V CA 2.165 64.421 62.300 -0.072 0.000 1.055 726 V CB -0.953 30.802 31.823 -0.114 0.000 0.657 726 V HN 0.556 nan 8.190 nan 0.000 0.455 727 N N -0.683 118.002 118.700 -0.025 0.000 2.142 727 N HA -0.181 4.557 4.740 -0.002 0.000 0.186 727 N C 1.748 177.319 175.510 0.101 0.000 1.023 727 N CA 1.621 54.694 53.050 0.038 0.000 0.852 727 N CB -0.613 37.889 38.487 0.026 0.000 0.998 727 N HN 0.615 nan 8.380 nan 0.000 0.424 728 Y N 1.877 122.165 120.300 -0.020 0.000 2.193 728 Y HA -0.106 4.443 4.550 -0.003 0.000 0.285 728 Y C 2.113 177.967 175.900 -0.077 0.000 1.166 728 Y CA 1.253 59.363 58.100 0.015 0.000 1.181 728 Y CB -0.419 38.145 38.460 0.173 0.000 0.976 728 Y HN 0.017 nan 8.280 nan 0.000 0.520 729 I N -1.391 119.124 120.570 -0.092 0.000 2.286 729 I HA -0.343 3.826 4.170 -0.002 0.000 0.248 729 I C 1.515 177.494 176.117 -0.229 0.000 1.115 729 I CA 1.737 62.894 61.300 -0.239 0.000 1.392 729 I CB -0.488 37.519 38.000 0.012 0.000 1.065 729 I HN 0.228 nan 8.210 nan 0.000 0.418 730 Y N -0.164 120.060 120.300 -0.127 0.000 2.509 730 Y HA 0.051 4.599 4.550 -0.003 0.000 0.270 730 Y C 0.886 176.758 175.900 -0.047 0.000 1.103 730 Y CA -0.559 57.524 58.100 -0.029 0.000 1.278 730 Y CB 0.163 38.641 38.460 0.030 0.000 1.087 730 Y HN 0.039 nan 8.280 nan 0.000 0.542 731 D N 0.624 121.048 120.400 0.038 0.000 2.472 731 D HA -0.075 4.563 4.640 -0.002 0.000 0.248 731 D C 1.432 177.709 176.300 -0.039 0.000 1.174 731 D CA 0.781 54.786 54.000 0.008 0.000 0.883 731 D CB 1.131 41.932 40.800 0.002 0.000 1.149 731 D HN 0.323 nan 8.370 nan 0.000 0.488 732 T N 1.792 116.347 114.554 0.003 0.000 2.737 732 T HA -0.163 4.186 4.350 -0.002 0.000 0.265 732 T C 1.545 176.230 174.700 -0.025 0.000 1.038 732 T CA 1.144 63.242 62.100 -0.003 0.000 1.144 732 T CB -0.058 68.828 68.868 0.029 0.000 0.866 732 T HN 0.353 nan 8.240 nan 0.000 0.434 733 K N 1.059 121.450 120.400 -0.015 0.000 1.975 733 K HA 0.133 4.452 4.320 -0.002 0.000 0.210 733 K C 2.235 178.822 176.600 -0.023 0.000 1.041 733 K CA 1.396 57.675 56.287 -0.013 0.000 0.942 733 K CB -0.053 32.446 32.500 -0.003 0.000 0.729 733 K HN 0.220 nan 8.250 nan 0.000 0.439 734 N N 0.013 118.706 118.700 -0.012 0.000 2.299 734 N HA 0.063 4.802 4.740 -0.002 0.000 0.187 734 N C 0.560 176.069 175.510 -0.001 0.000 1.099 734 N CA 0.272 53.324 53.050 0.004 0.000 0.867 734 N CB 0.637 39.142 38.487 0.030 0.000 0.974 734 N HN 0.181 nan 8.380 nan 0.000 0.477 735 G N 0.461 109.209 108.800 -0.086 0.000 2.510 735 G HA2 0.353 4.312 3.960 -0.002 0.000 0.280 735 G HA3 0.353 4.312 3.960 -0.002 0.000 0.280 735 G C 0.777 175.357 174.900 -0.532 0.000 1.386 735 G CA -0.508 44.398 45.100 -0.322 0.000 1.047 735 G HN 0.230 nan 8.290 nan 0.000 0.527 736 L N -1.651 119.019 121.223 -0.921 0.000 2.741 736 L HA 0.432 4.771 4.340 -0.002 0.000 0.237 736 L C 1.149 177.634 176.870 -0.642 0.000 1.178 736 L CA 0.336 54.691 54.840 -0.810 0.000 0.973 736 L CB -0.413 40.965 42.059 -1.136 0.000 1.255 736 L HN 0.811 nan 8.230 nan 0.000 0.498 737 G N 0.750 109.309 108.800 -0.402 0.000 2.424 737 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.290 737 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.290 737 G C -0.177 174.675 174.900 -0.080 0.000 0.912 737 G CA 0.405 45.400 45.100 -0.176 0.000 1.142 737 G HN 0.563 nan 8.290 nan 0.000 0.501 738 W N -0.762 120.272 121.300 -0.444 0.000 2.380 738 W HA 0.728 5.386 4.660 -0.002 0.000 0.441 738 W C 0.258 176.360 176.519 -0.694 0.000 1.762 738 W CA -1.057 55.933 57.345 -0.592 0.000 1.905 738 W CB 0.808 29.848 29.460 -0.701 0.000 1.624 738 W HN 0.188 nan 8.180 nan 0.000 0.717 739 D N -0.137 120.087 120.400 -0.293 0.000 2.934 739 D HA 0.361 5.000 4.640 -0.002 0.000 0.230 739 D C -1.319 174.952 176.300 -0.048 0.000 1.204 739 D CA -0.428 53.359 54.000 -0.357 0.000 0.873 739 D CB 1.451 42.030 40.800 -0.368 0.000 1.645 739 D HN 0.127 nan 8.370 nan 0.000 0.502 740 L N 2.833 124.103 121.223 0.079 0.000 2.350 740 L HA 0.319 4.658 4.340 -0.002 0.000 0.275 740 L C 0.853 177.778 176.870 0.091 0.000 1.099 740 L CA -0.442 54.485 54.840 0.145 0.000 0.808 740 L CB 1.132 43.322 42.059 0.219 0.000 1.149 740 L HN 0.431 nan 8.230 nan 0.000 0.442 741 D N 0.931 121.359 120.400 0.046 0.000 2.394 741 D HA 0.080 4.719 4.640 -0.002 0.000 0.226 741 D C -0.470 175.653 176.300 -0.295 0.000 0.990 741 D CA 1.038 54.959 54.000 -0.132 0.000 0.902 741 D CB 0.539 41.243 40.800 -0.160 0.000 1.038 741 D HN 0.284 nan 8.370 nan 0.000 0.499 742 Y N -0.359 119.943 120.300 0.004 0.000 2.512 742 Y HA 0.529 5.078 4.550 -0.002 0.000 0.348 742 Y C -0.318 175.583 175.900 0.001 0.000 0.990 742 Y CA -1.049 57.044 58.100 -0.013 0.000 1.033 742 Y CB 2.517 40.925 38.460 -0.087 0.000 1.259 742 Y HN -0.434 nan 8.280 nan 0.000 0.461 743 V N 2.857 122.868 119.914 0.161 0.000 2.577 743 V HA 0.455 4.574 4.120 -0.002 0.000 0.303 743 V C -1.152 174.992 176.094 0.083 0.000 1.042 743 V CA -0.826 61.532 62.300 0.097 0.000 0.872 743 V CB 1.960 33.831 31.823 0.079 0.000 0.998 743 V HN 0.550 nan 8.190 nan 0.000 0.423 744 V N 6.809 126.745 119.914 0.038 0.000 2.315 744 V HA 0.300 4.419 4.120 -0.002 0.000 0.265 744 V C -2.452 173.727 176.094 0.142 0.000 1.019 744 V CA -1.400 60.916 62.300 0.025 0.000 0.824 744 V CB 1.456 33.129 31.823 -0.250 0.000 1.072 744 V HN 0.740 nan 8.190 nan 0.000 0.448 745 P HA 0.217 nan 4.420 nan 0.000 0.226 745 P C 0.192 177.686 177.300 0.323 0.000 1.783 745 P CA -0.004 63.224 63.100 0.213 0.000 0.980 745 P CB -0.320 31.445 31.700 0.108 0.000 1.967 746 F N 0.375 120.333 119.950 0.013 0.000 2.676 746 F HA 0.273 4.798 4.527 -0.002 0.000 0.300 746 F C 1.441 177.267 175.800 0.043 0.000 1.160 746 F CA -1.157 56.857 58.000 0.023 0.000 1.401 746 F CB -0.882 38.130 39.000 0.020 0.000 1.037 746 F HN 0.048 nan 8.300 nan 0.000 0.522 747 A N 0.892 123.832 122.820 0.201 0.000 2.450 747 A HA 0.672 4.991 4.320 -0.002 0.000 0.255 747 A C 0.227 177.876 177.584 0.108 0.000 1.096 747 A CA 0.483 52.614 52.037 0.156 0.000 0.778 747 A CB -0.113 18.988 19.000 0.168 0.000 1.031 747 A HN 0.376 nan 8.150 nan 0.000 0.494 748 A N 2.301 125.177 122.820 0.094 0.000 2.594 748 A HA 0.654 4.973 4.320 -0.002 0.000 0.296 748 A C -0.994 176.627 177.584 0.060 0.000 1.061 748 A CA -0.430 51.654 52.037 0.079 0.000 0.689 748 A CB 0.786 19.836 19.000 0.083 0.000 1.280 748 A HN 0.757 nan 8.150 nan 0.000 0.406 749 I N 1.624 122.231 120.570 0.061 0.000 2.474 749 I HA 0.379 4.548 4.170 -0.002 0.000 0.294 749 I C -2.337 173.792 176.117 0.021 0.000 1.005 749 I CA -2.272 59.050 61.300 0.038 0.000 1.113 749 I CB 2.532 40.557 38.000 0.041 0.000 1.289 749 I HN 0.358 nan 8.210 nan 0.000 0.436 750 P HA 0.079 nan 4.420 nan 0.000 0.268 750 P C -0.444 176.838 177.300 -0.030 0.000 1.282 750 P CA -0.056 63.013 63.100 -0.051 0.000 0.880 750 P CB 0.022 31.692 31.700 -0.051 0.000 0.971 751 E N 1.111 121.294 120.200 -0.029 0.000 2.411 751 E HA 0.079 4.428 4.350 -0.002 0.000 0.204 751 E C 0.164 176.750 176.600 -0.024 0.000 1.059 751 E CA -0.718 55.682 56.400 -0.000 0.000 1.112 751 E CB -0.209 29.517 29.700 0.045 0.000 1.168 751 E HN 0.220 nan 8.360 nan 0.000 0.445 752 N N 1.426 120.092 118.700 -0.057 0.000 2.294 752 N HA -0.063 4.676 4.740 -0.002 0.000 0.248 752 N C 1.048 176.541 175.510 -0.028 0.000 1.242 752 N CA 1.969 54.982 53.050 -0.062 0.000 0.848 752 N CB 0.759 39.202 38.487 -0.075 0.000 1.084 752 N HN 0.460 nan 8.380 nan 0.000 0.457 753 G N 2.060 110.847 108.800 -0.021 0.000 2.184 753 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.206 753 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.206 753 G C -0.397 174.505 174.900 0.003 0.000 0.995 753 G CA 0.153 45.249 45.100 -0.007 0.000 0.651 753 G HN 0.795 nan 8.290 nan 0.000 0.511 754 R N 0.787 121.292 120.500 0.007 0.000 2.480 754 R HA 0.682 5.020 4.340 -0.002 0.000 0.306 754 R C -0.453 175.858 176.300 0.018 0.000 0.958 754 R CA -0.849 55.259 56.100 0.013 0.000 0.861 754 R CB 1.877 32.185 30.300 0.014 0.000 1.171 754 R HN 0.354 nan 8.270 nan 0.000 0.445 755 E N 1.850 122.060 120.200 0.016 0.000 2.359 755 E HA 0.113 4.462 4.350 -0.002 0.000 0.255 755 E C 1.284 177.892 176.600 0.012 0.000 1.191 755 E CA -0.543 55.868 56.400 0.018 0.000 0.952 755 E CB 1.166 30.876 29.700 0.016 0.000 1.152 755 E HN 0.712 nan 8.360 nan 0.000 0.496 756 I N -1.274 119.303 120.570 0.010 0.000 2.530 756 I HA -0.250 3.918 4.170 -0.002 0.000 0.257 756 I C 1.580 177.698 176.117 0.001 0.000 1.179 756 I CA 1.280 62.582 61.300 0.003 0.000 1.440 756 I CB -0.150 37.851 38.000 0.002 0.000 1.087 756 I HN 0.444 nan 8.210 nan 0.000 0.440 757 D N 2.451 122.853 120.400 0.004 0.000 2.191 757 D HA -0.231 4.408 4.640 -0.002 0.000 0.190 757 D C 0.701 177.001 176.300 0.000 0.000 1.007 757 D CA 2.141 56.142 54.000 0.003 0.000 0.865 757 D CB 0.001 40.804 40.800 0.005 0.000 0.929 757 D HN 0.665 nan 8.370 nan 0.000 0.447 758 S N -0.577 115.124 115.700 0.002 0.000 2.413 758 S HA 0.384 4.853 4.470 -0.002 0.000 0.170 758 S C -0.521 174.082 174.600 0.004 0.000 1.294 758 S CA -0.844 57.357 58.200 0.002 0.000 1.201 758 S CB 0.050 63.252 63.200 0.004 0.000 1.328 758 S HN 0.022 nan 8.310 nan 0.000 0.418 759 I N 4.605 125.175 120.570 0.000 0.000 2.311 759 I HA 0.223 4.391 4.170 -0.002 0.000 0.297 759 I C 0.749 176.869 176.117 0.005 0.000 1.131 759 I CA 0.057 61.360 61.300 0.004 0.000 1.289 759 I CB 0.009 38.007 38.000 -0.005 0.000 1.446 759 I HN 0.665 nan 8.210 nan 0.000 0.524 760 D N 3.043 123.454 120.400 0.018 0.000 2.453 760 D HA 0.126 4.764 4.640 -0.002 0.000 0.282 760 D C 1.332 177.656 176.300 0.040 0.000 1.222 760 D CA -0.422 53.590 54.000 0.022 0.000 1.079 760 D CB 0.126 40.943 40.800 0.027 0.000 1.128 760 D HN 0.223 nan 8.370 nan 0.000 0.568 761 S N -1.006 114.728 115.700 0.057 0.000 2.353 761 S HA -0.223 4.246 4.470 -0.002 0.000 0.222 761 S C 1.754 176.449 174.600 0.158 0.000 1.035 761 S CA 1.972 60.239 58.200 0.111 0.000 1.025 761 S CB -0.479 62.795 63.200 0.124 0.000 0.902 761 S HN 0.534 nan 8.310 nan 0.000 0.440 762 K N 0.366 120.833 120.400 0.112 0.000 2.044 762 K HA -0.109 4.210 4.320 -0.002 0.000 0.210 762 K C 2.242 178.912 176.600 0.117 0.000 1.049 762 K CA 1.869 58.218 56.287 0.103 0.000 0.927 762 K CB -0.384 32.154 32.500 0.064 0.000 0.713 762 K HN 0.373 nan 8.250 nan 0.000 0.443 763 S N 0.674 116.433 115.700 0.099 0.000 2.356 763 S HA -0.199 4.270 4.470 -0.002 0.000 0.223 763 S C 1.842 176.532 174.600 0.150 0.000 1.032 763 S CA 1.637 59.898 58.200 0.101 0.000 1.005 763 S CB -0.314 62.925 63.200 0.064 0.000 0.867 763 S HN 0.455 nan 8.310 nan 0.000 0.449 764 E N 0.676 120.970 120.200 0.156 0.000 2.110 764 E HA -0.169 4.179 4.350 -0.002 0.000 0.193 764 E C 2.035 178.830 176.600 0.324 0.000 0.988 764 E CA 0.887 57.410 56.400 0.203 0.000 0.804 764 E CB -0.161 29.593 29.700 0.089 0.000 0.745 764 E HN 0.343 nan 8.360 nan 0.000 0.458 765 L N 0.762 122.205 121.223 0.366 0.000 1.994 765 L HA -0.071 4.268 4.340 -0.002 0.000 0.208 765 L C 2.284 179.234 176.870 0.133 0.000 1.071 765 L CA 2.304 57.296 54.840 0.254 0.000 0.745 765 L CB -0.955 41.183 42.059 0.133 0.000 0.892 765 L HN 0.156 nan 8.230 nan 0.000 0.431 766 A N -1.254 121.648 122.820 0.135 0.000 1.892 766 A HA -0.349 3.970 4.320 -0.002 0.000 0.218 766 A C 2.442 180.121 177.584 0.159 0.000 1.188 766 A CA 2.065 54.174 52.037 0.120 0.000 0.631 766 A CB -1.413 17.660 19.000 0.122 0.000 0.822 766 A HN 0.783 nan 8.150 nan 0.000 0.447 767 H N -0.949 118.163 119.070 0.070 0.000 2.422 767 H HA -0.133 4.422 4.556 -0.002 0.000 0.298 767 H C 2.368 177.724 175.328 0.046 0.000 1.098 767 H CA 1.509 57.586 56.048 0.048 0.000 1.315 767 H CB 0.021 29.811 29.762 0.047 0.000 1.382 767 H HN 0.506 nan 8.280 nan 0.000 0.523 768 R N 0.282 120.805 120.500 0.038 0.000 2.115 768 R HA -0.059 4.280 4.340 -0.002 0.000 0.226 768 R C 2.233 178.507 176.300 -0.044 0.000 1.100 768 R CA 1.080 57.156 56.100 -0.040 0.000 0.980 768 R CB 0.056 30.392 30.300 0.060 0.000 0.875 768 R HN 0.317 nan 8.270 nan 0.000 0.445 769 I N 0.048 120.613 120.570 -0.008 0.000 2.233 769 I HA -0.211 3.957 4.170 -0.002 0.000 0.243 769 I C 2.204 178.328 176.117 0.012 0.000 1.093 769 I CA 1.260 62.558 61.300 -0.004 0.000 1.380 769 I CB -0.046 37.960 38.000 0.011 0.000 1.067 769 I HN 0.147 nan 8.210 nan 0.000 0.413 770 M N -0.733 118.885 119.600 0.029 0.000 2.562 770 M HA -0.038 4.440 4.480 -0.002 0.000 0.257 770 M C 1.453 177.749 176.300 -0.007 0.000 1.099 770 M CA 1.261 56.578 55.300 0.028 0.000 1.099 770 M CB 0.377 33.014 32.600 0.061 0.000 1.427 770 M HN 0.297 nan 8.290 nan 0.000 0.489 771 L N -2.457 118.736 121.223 -0.050 0.000 3.099 771 L HA 0.147 4.486 4.340 -0.002 0.000 0.165 771 L C 2.053 178.848 176.870 -0.125 0.000 1.151 771 L CA 0.655 55.439 54.840 -0.093 0.000 0.878 771 L CB -0.703 41.291 42.059 -0.109 0.000 1.615 771 L HN 0.153 nan 8.230 nan 0.000 0.545 772 T N -1.043 113.395 114.554 -0.193 0.000 2.684 772 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 772 T C 1.542 176.189 174.700 -0.088 0.000 1.036 772 T CA 1.969 63.984 62.100 -0.141 0.000 1.148 772 T CB -0.707 68.073 68.868 -0.146 0.000 0.863 772 T HN 0.299 nan 8.240 nan 0.000 0.436 773 N N 0.901 119.559 118.700 -0.071 0.000 2.354 773 N HA 0.203 4.942 4.740 -0.002 0.000 0.179 773 N C 1.759 177.254 175.510 -0.025 0.000 1.021 773 N CA 0.262 53.287 53.050 -0.042 0.000 0.887 773 N CB -0.499 37.968 38.487 -0.033 0.000 0.974 773 N HN 0.342 nan 8.380 nan 0.000 0.437 774 L N 0.361 121.566 121.223 -0.030 0.000 2.017 774 L HA -0.098 4.240 4.340 -0.002 0.000 0.208 774 L C 1.814 178.646 176.870 -0.064 0.000 1.073 774 L CA 1.086 55.910 54.840 -0.026 0.000 0.745 774 L CB -0.181 41.860 42.059 -0.030 0.000 0.894 774 L HN 0.120 nan 8.230 nan 0.000 0.432 775 L N -0.675 120.496 121.223 -0.087 0.000 2.083 775 L HA -0.225 4.114 4.340 -0.002 0.000 0.209 775 L C 2.775 179.561 176.870 -0.141 0.000 1.083 775 L CA 1.259 56.024 54.840 -0.126 0.000 0.752 775 L CB -0.392 41.598 42.059 -0.114 0.000 0.899 775 L HN 0.207 nan 8.230 nan 0.000 0.433 776 R N -0.586 119.852 120.500 -0.103 0.000 2.115 776 R HA -0.099 4.240 4.340 -0.002 0.000 0.226 776 R C 2.273 178.515 176.300 -0.097 0.000 1.100 776 R CA 0.881 56.921 56.100 -0.100 0.000 0.980 776 R CB -0.262 29.995 30.300 -0.071 0.000 0.875 776 R HN 0.350 nan 8.270 nan 0.000 0.445 777 L N 1.048 122.229 121.223 -0.069 0.000 1.994 777 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 777 L C 2.164 178.976 176.870 -0.096 0.000 1.071 777 L CA 1.420 56.225 54.840 -0.059 0.000 0.745 777 L CB -0.220 41.826 42.059 -0.021 0.000 0.892 777 L HN 0.199 nan 8.230 nan 0.000 0.431 778 L N -0.842 120.309 121.223 -0.119 0.000 1.989 778 L HA -0.179 4.160 4.340 -0.002 0.000 0.211 778 L C 2.679 179.416 176.870 -0.220 0.000 1.071 778 L CA 1.484 56.228 54.840 -0.160 0.000 0.749 778 L CB -1.655 40.273 42.059 -0.218 0.000 0.890 778 L HN 0.384 nan 8.230 nan 0.000 0.431 779 G N -0.069 108.576 108.800 -0.258 0.000 2.513 779 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.219 779 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.219 779 G C 1.775 176.545 174.900 -0.216 0.000 1.160 779 G CA 1.202 46.141 45.100 -0.269 0.000 0.767 779 G HN 0.494 nan 8.290 nan 0.000 0.571 780 A N 1.131 123.844 122.820 -0.178 0.000 1.851 780 A HA -0.076 4.243 4.320 -0.002 0.000 0.216 780 A C 2.428 179.872 177.584 -0.234 0.000 1.195 780 A CA 1.696 53.625 52.037 -0.181 0.000 0.622 780 A CB -0.518 18.395 19.000 -0.144 0.000 0.831 780 A HN 0.411 nan 8.150 nan 0.000 0.444 781 I N -0.334 120.115 120.570 -0.202 0.000 2.145 781 I HA -0.341 3.828 4.170 -0.002 0.000 0.244 781 I C 2.611 178.586 176.117 -0.237 0.000 1.075 781 I CA 2.033 63.202 61.300 -0.218 0.000 1.332 781 I CB -0.626 37.344 38.000 -0.049 0.000 1.033 781 I HN 0.379 nan 8.210 nan 0.000 0.410 782 K N 1.594 121.881 120.400 -0.189 0.000 2.001 782 K HA -0.217 4.102 4.320 -0.002 0.000 0.214 782 K C 2.103 178.474 176.600 -0.381 0.000 1.050 782 K CA 2.849 59.005 56.287 -0.218 0.000 0.934 782 K CB -0.707 31.685 32.500 -0.181 0.000 0.718 782 K HN 0.455 nan 8.250 nan 0.000 0.443 783 T N 0.896 115.254 114.554 -0.326 0.000 2.803 783 T HA -0.150 4.198 4.350 -0.002 0.000 0.269 783 T C 1.996 176.496 174.700 -0.334 0.000 1.052 783 T CA 0.978 62.889 62.100 -0.316 0.000 1.136 783 T CB -0.200 68.531 68.868 -0.227 0.000 0.864 783 T HN 0.184 nan 8.240 nan 0.000 0.467 784 Q N 1.569 121.139 119.800 -0.383 0.000 2.030 784 Q HA -0.074 4.265 4.340 -0.002 0.000 0.204 784 Q C 2.381 178.165 176.000 -0.360 0.000 0.986 784 Q CA 1.742 57.261 55.803 -0.474 0.000 0.843 784 Q CB -0.325 27.846 28.738 -0.946 0.000 0.904 784 Q HN 0.611 nan 8.270 nan 0.000 0.420 785 K N 0.489 120.735 120.400 -0.256 0.000 2.002 785 K HA -0.170 4.149 4.320 -0.002 0.000 0.209 785 K C 2.160 178.648 176.600 -0.185 0.000 1.048 785 K CA 1.398 57.682 56.287 -0.004 0.000 0.930 785 K CB -0.191 32.435 32.500 0.210 0.000 0.714 785 K HN 0.068 nan 8.250 nan 0.000 0.438 786 K N 1.474 121.578 120.400 -0.494 0.000 2.034 786 K HA -0.254 4.065 4.320 -0.002 0.000 0.214 786 K C 1.872 178.352 176.600 -0.200 0.000 1.051 786 K CA 1.997 58.015 56.287 -0.448 0.000 0.931 786 K CB 0.016 32.183 32.500 -0.555 0.000 0.715 786 K HN 0.177 nan 8.250 nan 0.000 0.446 787 E N -0.187 119.875 120.200 -0.231 0.000 2.072 787 E HA -0.146 4.203 4.350 -0.002 0.000 0.191 787 E C 1.918 178.392 176.600 -0.210 0.000 0.985 787 E CA 0.931 57.222 56.400 -0.181 0.000 0.801 787 E CB 0.051 29.645 29.700 -0.177 0.000 0.750 787 E HN 0.267 nan 8.360 nan 0.000 0.452 788 R N -0.342 119.955 120.500 -0.338 0.000 2.319 788 R HA 0.041 4.380 4.340 -0.002 0.000 0.204 788 R C 1.006 176.994 176.300 -0.520 0.000 0.954 788 R CA 0.467 56.238 56.100 -0.549 0.000 1.066 788 R CB 0.270 29.973 30.300 -0.995 0.000 0.991 788 R HN 0.260 nan 8.270 nan 0.000 0.486 789 G N 0.466 109.134 108.800 -0.220 0.000 2.155 789 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.257 789 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.257 789 G C -0.344 174.658 174.900 0.171 0.000 0.983 789 G CA -0.079 45.013 45.100 -0.012 0.000 0.676 789 G HN 0.294 nan 8.290 nan 0.000 0.528 790 Y N 0.723 121.114 120.300 0.152 0.000 2.573 790 Y HA 0.466 5.015 4.550 -0.001 0.000 0.346 790 Y C 1.401 177.444 175.900 0.238 0.000 1.198 790 Y CA -0.423 57.784 58.100 0.178 0.000 1.627 790 Y CB 0.343 38.927 38.460 0.207 0.000 1.457 790 Y HN 0.360 nan 8.280 nan 0.000 0.483 791 E N 0.831 121.217 120.200 0.309 0.000 2.290 791 E HA -0.032 4.316 4.350 -0.002 0.000 0.197 791 E C 1.452 178.096 176.600 0.074 0.000 0.948 791 E CA 0.791 57.301 56.400 0.184 0.000 0.895 791 E CB 0.398 30.170 29.700 0.120 0.000 0.865 791 E HN 0.470 nan 8.360 nan 0.000 0.486 792 T N -1.821 112.789 114.554 0.093 0.000 3.251 792 T HA 0.326 4.675 4.350 -0.002 0.000 0.259 792 T C 0.624 175.352 174.700 0.046 0.000 0.998 792 T CA -0.515 61.614 62.100 0.048 0.000 0.905 792 T CB 0.024 68.918 68.868 0.043 0.000 1.067 792 T HN -0.135 nan 8.240 nan 0.000 0.569 793 R N 1.583 122.126 120.500 0.072 0.000 2.638 793 R HA 0.302 4.640 4.340 -0.002 0.000 0.261 793 R C -3.140 173.210 176.300 0.083 0.000 1.515 793 R CA -1.486 54.643 56.100 0.049 0.000 1.623 793 R CB 0.824 31.132 30.300 0.013 0.000 1.347 793 R HN 0.247 nan 8.270 nan 0.000 0.705 794 P HA -0.019 nan 4.420 nan 0.000 0.267 794 P C -0.933 176.419 177.300 0.086 0.000 1.201 794 P CA 0.239 63.411 63.100 0.121 0.000 0.775 794 P CB 0.799 32.571 31.700 0.120 0.000 0.854 795 A N 2.435 125.332 122.820 0.129 0.000 2.276 795 A HA 0.272 4.590 4.320 -0.002 0.000 0.316 795 A C -0.120 177.502 177.584 0.064 0.000 1.229 795 A CA -0.522 51.556 52.037 0.069 0.000 0.851 795 A CB 0.244 19.319 19.000 0.126 0.000 1.165 795 A HN 0.525 nan 8.150 nan 0.000 0.513 796 Q N 2.316 122.090 119.800 -0.043 0.000 2.307 796 Q HA 0.401 4.740 4.340 -0.002 0.000 0.259 796 Q C -1.132 174.910 176.000 0.070 0.000 0.998 796 Q CA -0.107 55.695 55.803 -0.002 0.000 0.923 796 Q CB 0.736 29.419 28.738 -0.093 0.000 1.196 796 Q HN 0.536 nan 8.270 nan 0.000 0.416 797 V N 6.183 126.150 119.914 0.089 0.000 2.350 797 V HA 0.203 4.322 4.120 -0.002 0.000 0.276 797 V C 0.179 176.313 176.094 0.067 0.000 1.028 797 V CA -0.608 61.743 62.300 0.085 0.000 0.860 797 V CB 1.272 33.140 31.823 0.076 0.000 0.990 797 V HN 0.687 nan 8.190 nan 0.000 0.453 798 I N 5.909 126.540 120.570 0.101 0.000 2.224 798 I HA 0.166 4.334 4.170 -0.002 0.000 0.293 798 I C 0.210 176.389 176.117 0.103 0.000 1.155 798 I CA -0.325 61.041 61.300 0.111 0.000 1.297 798 I CB 0.345 38.450 38.000 0.175 0.000 1.487 798 I HN 0.368 nan 8.210 nan 0.000 0.564 799 L N 7.963 129.168 121.223 -0.029 0.000 2.597 799 L HA 0.105 4.444 4.340 -0.002 0.000 0.271 799 L C -1.896 174.870 176.870 -0.174 0.000 1.157 799 L CA -0.816 53.953 54.840 -0.119 0.000 0.928 799 L CB 0.086 42.002 42.059 -0.238 0.000 1.216 799 L HN 0.183 nan 8.230 nan 0.000 0.481 800 P HA 0.228 nan 4.420 nan 0.000 0.260 800 P C -0.268 176.867 177.300 -0.275 0.000 1.651 800 P CA -0.152 62.718 63.100 -0.384 0.000 1.139 800 P CB 0.247 31.490 31.700 -0.761 0.000 1.756 801 L N 0.567 121.652 121.223 -0.229 0.000 2.469 801 L HA 0.601 4.940 4.340 -0.002 0.000 0.253 801 L C 0.939 177.743 176.870 -0.110 0.000 1.143 801 L CA -0.475 54.263 54.840 -0.171 0.000 0.804 801 L CB 0.440 42.382 42.059 -0.194 0.000 1.214 801 L HN 0.183 nan 8.230 nan 0.000 0.476 802 S N -1.400 114.282 115.700 -0.029 0.000 2.599 802 S HA 0.518 4.987 4.470 -0.002 0.000 0.287 802 S C -2.169 172.351 174.600 -0.133 0.000 1.105 802 S CA -1.292 56.891 58.200 -0.028 0.000 0.899 802 S CB 1.889 65.106 63.200 0.027 0.000 1.100 802 S HN 0.308 nan 8.310 nan 0.000 0.482 803 P HA 0.057 nan 4.420 nan 0.000 0.221 803 P C -0.195 176.989 177.300 -0.194 0.000 1.155 803 P CA 0.484 63.500 63.100 -0.140 0.000 0.812 803 P CB -0.064 31.659 31.700 0.038 0.000 0.801 804 N N 0.681 119.361 118.700 -0.034 0.000 2.402 804 N HA -0.040 4.698 4.740 -0.002 0.000 0.259 804 N C -0.706 174.865 175.510 0.101 0.000 1.167 804 N CA 0.230 53.348 53.050 0.112 0.000 0.949 804 N CB -0.849 37.777 38.487 0.231 0.000 1.212 804 N HN 0.222 nan 8.380 nan 0.000 0.493 805 H N 2.459 121.603 119.070 0.123 0.000 2.421 805 H HA 0.325 4.880 4.556 -0.002 0.000 0.241 805 H C 0.829 176.206 175.328 0.082 0.000 1.428 805 H CA -0.270 55.825 56.048 0.077 0.000 1.136 805 H CB 0.388 30.190 29.762 0.066 0.000 1.612 805 H HN 0.836 nan 8.280 nan 0.000 0.537 806 G N 0.875 109.803 108.800 0.213 0.000 2.159 806 G HA2 -0.385 3.573 3.960 -0.002 0.000 0.227 806 G HA3 -0.385 3.573 3.960 -0.002 0.000 0.227 806 G C 1.390 176.369 174.900 0.132 0.000 0.986 806 G CA 0.577 45.770 45.100 0.155 0.000 0.651 806 G HN 0.560 nan 8.290 nan 0.000 0.523 807 T N -2.132 112.512 114.554 0.150 0.000 2.942 807 T HA 0.359 4.707 4.350 -0.002 0.000 0.265 807 T C 1.161 175.856 174.700 -0.008 0.000 1.062 807 T CA 0.822 62.957 62.100 0.058 0.000 1.139 807 T CB -0.021 68.871 68.868 0.040 0.000 0.883 807 T HN 0.271 nan 8.240 nan 0.000 0.468 808 F N 1.256 121.220 119.950 0.024 0.000 2.380 808 F HA 0.636 5.162 4.527 -0.002 0.000 0.321 808 F C 1.833 177.637 175.800 0.007 0.000 1.103 808 F CA -0.260 57.742 58.000 0.003 0.000 1.067 808 F CB 0.636 39.623 39.000 -0.021 0.000 1.265 808 F HN 0.176 nan 8.300 nan 0.000 0.517 809 G N 0.571 109.498 108.800 0.211 0.000 2.529 809 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.167 809 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.167 809 G C 0.367 175.325 174.900 0.096 0.000 1.615 809 G CA 0.012 45.181 45.100 0.113 0.000 0.885 809 G HN 0.587 nan 8.290 nan 0.000 0.394 810 N N 1.737 120.475 118.700 0.063 0.000 3.115 810 N HA 0.086 4.824 4.740 -0.002 0.000 0.305 810 N C 0.696 176.222 175.510 0.026 0.000 1.305 810 N CA 0.023 53.096 53.050 0.037 0.000 1.154 810 N CB 0.386 38.884 38.487 0.018 0.000 1.454 810 N HN 0.288 nan 8.380 nan 0.000 0.551 811 D N 0.911 121.343 120.400 0.054 0.000 2.133 811 D HA -0.124 4.515 4.640 -0.002 0.000 0.195 811 D C 1.055 177.400 176.300 0.076 0.000 0.997 811 D CA 1.172 55.214 54.000 0.069 0.000 0.840 811 D CB -0.267 40.645 40.800 0.187 0.000 0.947 811 D HN 0.438 nan 8.370 nan 0.000 0.452 812 G N 1.861 110.697 108.800 0.061 0.000 2.331 812 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.254 812 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.254 812 G C 0.578 175.507 174.900 0.047 0.000 0.879 812 G CA 0.176 45.301 45.100 0.042 0.000 1.287 812 G HN 0.343 nan 8.290 nan 0.000 0.383 813 L N -1.025 120.203 121.223 0.009 0.000 5.081 813 L HA -0.278 4.060 4.340 -0.002 0.000 0.423 813 L C 1.760 178.610 176.870 -0.033 0.000 1.019 813 L CA 2.649 57.447 54.840 -0.071 0.000 1.223 813 L CB -2.033 39.984 42.059 -0.070 0.000 1.940 813 L HN 0.917 nan 8.230 nan 0.000 0.675 814 Y N 1.406 121.674 120.300 -0.054 0.000 2.114 814 Y HA -0.192 4.356 4.550 -0.002 0.000 0.284 814 Y C 2.477 178.363 175.900 -0.024 0.000 1.119 814 Y CA 2.525 60.605 58.100 -0.033 0.000 1.108 814 Y CB -0.351 38.090 38.460 -0.032 0.000 0.995 814 Y HN 0.340 nan 8.280 nan 0.000 0.491 815 S N 0.304 115.986 115.700 -0.031 0.000 2.380 815 S HA -0.282 4.187 4.470 -0.002 0.000 0.229 815 S C 1.688 176.201 174.600 -0.145 0.000 1.043 815 S CA 1.693 59.854 58.200 -0.065 0.000 1.038 815 S CB -0.705 62.555 63.200 0.099 0.000 0.872 815 S HN 0.505 nan 8.310 nan 0.000 0.456 816 E N 1.874 121.986 120.200 -0.148 0.000 2.085 816 E HA -0.080 4.269 4.350 -0.002 0.000 0.194 816 E C 2.449 178.937 176.600 -0.186 0.000 0.994 816 E CA 1.542 57.829 56.400 -0.187 0.000 0.801 816 E CB -0.534 29.001 29.700 -0.276 0.000 0.743 816 E HN 0.663 nan 8.360 nan 0.000 0.453 817 S N 0.555 116.133 115.700 -0.203 0.000 2.345 817 S HA -0.085 4.383 4.470 -0.002 0.000 0.220 817 S C 1.719 176.234 174.600 -0.141 0.000 1.031 817 S CA 0.859 59.034 58.200 -0.042 0.000 0.996 817 S CB -0.153 63.067 63.200 0.033 0.000 0.882 817 S HN 0.056 nan 8.310 nan 0.000 0.445 818 K N 1.141 121.368 120.400 -0.288 0.000 2.209 818 K HA 0.125 4.444 4.320 -0.002 0.000 0.204 818 K C 2.001 178.496 176.600 -0.175 0.000 1.048 818 K CA 0.570 56.697 56.287 -0.267 0.000 0.940 818 K CB -0.700 31.567 32.500 -0.389 0.000 0.729 818 K HN 0.305 nan 8.250 nan 0.000 0.451 819 L N 0.563 121.643 121.223 -0.238 0.000 2.068 819 L HA 0.008 4.347 4.340 -0.002 0.000 0.204 819 L C 2.143 178.897 176.870 -0.193 0.000 1.076 819 L CA 1.588 56.194 54.840 -0.391 0.000 0.753 819 L CB -0.619 41.172 42.059 -0.446 0.000 0.910 819 L HN 0.099 nan 8.230 nan 0.000 0.439 820 A N -0.301 122.450 122.820 -0.116 0.000 1.948 820 A HA -0.225 4.094 4.320 -0.002 0.000 0.220 820 A C 2.244 179.798 177.584 -0.049 0.000 1.177 820 A CA 2.046 54.057 52.037 -0.043 0.000 0.636 820 A CB -1.093 17.918 19.000 0.019 0.000 0.815 820 A HN 0.512 nan 8.150 nan 0.000 0.449 821 L N -0.572 120.596 121.223 -0.092 0.000 2.187 821 L HA -0.226 4.113 4.340 -0.002 0.000 0.213 821 L C 2.299 179.069 176.870 -0.167 0.000 1.100 821 L CA 1.500 56.265 54.840 -0.125 0.000 0.765 821 L CB -0.492 41.469 42.059 -0.164 0.000 0.904 821 L HN 0.512 nan 8.230 nan 0.000 0.437 822 E N -0.822 119.298 120.200 -0.134 0.000 2.427 822 E HA -0.132 4.216 4.350 -0.002 0.000 0.196 822 E C 1.960 178.608 176.600 0.081 0.000 1.028 822 E CA 1.237 57.571 56.400 -0.110 0.000 0.864 822 E CB -0.028 29.738 29.700 0.110 0.000 0.813 822 E HN 0.587 nan 8.360 nan 0.000 0.514 823 T N -0.742 113.860 114.554 0.079 0.000 3.025 823 T HA -0.069 4.280 4.350 -0.002 0.000 0.270 823 T C 1.843 176.656 174.700 0.190 0.000 1.126 823 T CA 0.456 62.649 62.100 0.156 0.000 1.105 823 T CB -0.173 68.764 68.868 0.115 0.000 0.884 823 T HN 0.098 nan 8.240 nan 0.000 0.522 824 L N -0.869 120.414 121.223 0.100 0.000 2.156 824 L HA 0.155 4.494 4.340 -0.002 0.000 0.208 824 L C 2.364 179.383 176.870 0.249 0.000 1.095 824 L CA 1.025 55.975 54.840 0.184 0.000 0.770 824 L CB -0.540 41.547 42.059 0.047 0.000 0.914 824 L HN 0.231 nan 8.230 nan 0.000 0.439 825 F N 0.442 120.523 119.950 0.220 0.000 2.192 825 F HA -0.299 4.226 4.527 -0.002 0.000 0.301 825 F C 2.038 178.001 175.800 0.272 0.000 1.079 825 F CA 1.392 59.540 58.000 0.246 0.000 1.303 825 F CB -0.164 39.082 39.000 0.410 0.000 1.024 825 F HN 0.263 nan 8.300 nan 0.000 0.494 826 N N -0.729 118.260 118.700 0.481 0.000 2.439 826 N HA 0.036 4.774 4.740 -0.002 0.000 0.176 826 N C 1.473 177.168 175.510 0.307 0.000 1.029 826 N CA 0.291 53.601 53.050 0.433 0.000 0.886 826 N CB -0.167 38.522 38.487 0.337 0.000 1.057 826 N HN 0.005 nan 8.380 nan 0.000 0.437 827 R N -0.601 120.061 120.500 0.270 0.000 2.159 827 R HA -0.124 4.215 4.340 -0.002 0.000 0.237 827 R C 1.454 177.654 176.300 -0.167 0.000 1.131 827 R CA 0.982 57.214 56.100 0.219 0.000 0.982 827 R CB -0.263 30.332 30.300 0.491 0.000 0.868 827 R HN 0.389 nan 8.270 nan 0.000 0.453 828 W N 0.208 121.237 121.300 -0.452 0.000 2.374 828 W HA -0.210 4.449 4.660 -0.002 0.000 0.288 828 W C 1.085 177.169 176.519 -0.725 0.000 1.218 828 W CA 1.390 58.151 57.345 -0.973 0.000 1.245 828 W CB -0.074 29.003 29.460 -0.638 0.000 1.126 828 W HN 0.077 nan 8.180 nan 0.000 0.545 829 Y N -0.358 119.947 120.300 0.009 0.000 2.230 829 Y HA -0.179 4.370 4.550 -0.002 0.000 0.294 829 Y C 3.014 178.819 175.900 -0.158 0.000 1.120 829 Y CA 1.414 59.504 58.100 -0.017 0.000 1.129 829 Y CB -0.945 37.590 38.460 0.124 0.000 1.040 829 Y HN -0.118 nan 8.280 nan 0.000 0.519 830 S N 0.147 115.892 115.700 0.074 0.000 2.343 830 S HA -0.145 4.324 4.470 -0.002 0.000 0.219 830 S C 0.709 175.268 174.600 -0.069 0.000 1.033 830 S CA 0.716 58.927 58.200 0.018 0.000 1.014 830 S CB -0.696 62.545 63.200 0.068 0.000 0.915 830 S HN 0.348 nan 8.310 nan 0.000 0.435 831 E N 1.336 121.455 120.200 -0.135 0.000 2.376 831 E HA 0.323 4.672 4.350 -0.002 0.000 0.254 831 E C 0.184 176.592 176.600 -0.320 0.000 1.213 831 E CA 0.173 56.507 56.400 -0.109 0.000 0.945 831 E CB 0.552 30.372 29.700 0.201 0.000 1.057 831 E HN 0.528 nan 8.360 nan 0.000 0.479 832 S N 0.926 116.581 115.700 -0.075 0.000 2.582 832 S HA 0.085 4.554 4.470 -0.002 0.000 0.249 832 S C 0.054 174.701 174.600 0.078 0.000 1.072 832 S CA -0.816 57.349 58.200 -0.059 0.000 1.115 832 S CB -0.344 62.884 63.200 0.046 0.000 0.790 832 S HN 0.651 nan 8.310 nan 0.000 0.459 833 W N -0.740 120.509 121.300 -0.085 0.000 2.653 833 W HA 0.500 5.159 4.660 -0.002 0.000 0.391 833 W C 0.842 177.232 176.519 -0.216 0.000 0.962 833 W CA -0.517 56.849 57.345 0.035 0.000 1.900 833 W CB -0.923 28.570 29.460 0.056 0.000 1.176 833 W HN 0.318 nan 8.180 nan 0.000 0.582 834 G N 3.734 112.098 108.800 -0.728 0.000 2.505 834 G HA2 -0.396 3.563 3.960 -0.002 0.000 0.220 834 G HA3 -0.396 3.563 3.960 -0.002 0.000 0.220 834 G C 1.157 175.728 174.900 -0.549 0.000 1.145 834 G CA 1.683 46.008 45.100 -1.292 0.000 0.761 834 G HN 0.297 nan 8.290 nan 0.000 0.571 835 N N -0.929 117.517 118.700 -0.423 0.000 2.295 835 N HA 0.186 4.925 4.740 -0.002 0.000 0.221 835 N C 0.471 175.767 175.510 -0.357 0.000 1.129 835 N CA -0.131 52.729 53.050 -0.316 0.000 0.836 835 N CB -0.009 38.265 38.487 -0.354 0.000 1.040 835 N HN 0.414 nan 8.380 nan 0.000 0.494 836 Y N -0.315 120.053 120.300 0.114 0.000 2.609 836 Y HA 0.427 4.976 4.550 -0.002 0.000 0.281 836 Y C 0.147 176.164 175.900 0.195 0.000 1.132 836 Y CA -0.279 57.911 58.100 0.151 0.000 1.264 836 Y CB 0.565 39.109 38.460 0.140 0.000 1.325 836 Y HN -0.053 nan 8.280 nan 0.000 0.514 837 L N 0.535 122.025 121.223 0.445 0.000 2.365 837 L HA 0.499 4.838 4.340 -0.002 0.000 0.273 837 L C 0.022 177.251 176.870 0.599 0.000 1.000 837 L CA -0.847 54.258 54.840 0.443 0.000 0.819 837 L CB 1.635 43.973 42.059 0.465 0.000 1.284 837 L HN 0.107 nan 8.230 nan 0.000 0.418 838 T N 0.949 115.775 114.554 0.454 0.000 2.888 838 T HA 0.778 5.127 4.350 -0.002 0.000 0.284 838 T C -0.190 174.632 174.700 0.204 0.000 1.017 838 T CA -0.586 61.772 62.100 0.430 0.000 1.022 838 T CB 1.083 70.070 68.868 0.198 0.000 1.013 838 T HN 0.323 nan 8.240 nan 0.000 0.465 839 I N 2.306 122.869 120.570 -0.011 0.000 2.339 839 I HA 0.376 4.545 4.170 -0.002 0.000 0.290 839 I C -0.032 176.038 176.117 -0.077 0.000 0.994 839 I CA -0.860 60.434 61.300 -0.011 0.000 1.191 839 I CB 1.428 39.440 38.000 0.020 0.000 1.343 839 I HN 0.823 nan 8.210 nan 0.000 0.458 840 C N 5.944 125.214 119.300 -0.050 0.000 2.362 840 C HA 0.572 5.031 4.460 -0.002 0.000 0.309 840 C C 0.960 175.891 174.990 -0.099 0.000 1.110 840 C CA -0.525 58.465 59.018 -0.046 0.000 1.485 840 C CB -0.698 27.027 27.740 -0.025 0.000 1.949 840 C HN 0.962 nan 8.230 nan 0.000 0.419 841 G N 5.071 113.804 108.800 -0.111 0.000 2.778 841 G HA2 0.463 4.422 3.960 -0.002 0.000 0.287 841 G HA3 0.463 4.422 3.960 -0.002 0.000 0.287 841 G C 0.555 175.282 174.900 -0.289 0.000 0.747 841 G CA 0.265 45.202 45.100 -0.272 0.000 1.961 841 G HN 1.381 nan 8.290 nan 0.000 0.539 842 A N 2.560 125.256 122.820 -0.206 0.000 2.395 842 A HA 0.414 4.733 4.320 -0.002 0.000 0.286 842 A C 0.509 177.973 177.584 -0.200 0.000 1.193 842 A CA -0.356 51.578 52.037 -0.172 0.000 0.852 842 A CB 0.794 19.750 19.000 -0.074 0.000 1.118 842 A HN 1.294 nan 8.150 nan 0.000 0.524 843 V N 6.064 125.856 119.914 -0.205 0.000 2.322 843 V HA 0.390 4.509 4.120 -0.002 0.000 0.258 843 V C -0.221 175.824 176.094 -0.082 0.000 1.074 843 V CA -0.583 61.631 62.300 -0.144 0.000 0.909 843 V CB -0.624 31.135 31.823 -0.107 0.000 1.090 843 V HN 0.583 nan 8.190 nan 0.000 0.486 844 I N 6.722 127.238 120.570 -0.090 0.000 2.648 844 I HA 0.468 4.636 4.170 -0.002 0.000 0.284 844 I C 1.237 177.341 176.117 -0.020 0.000 1.153 844 I CA 1.261 62.519 61.300 -0.070 0.000 1.426 844 I CB 0.761 38.717 38.000 -0.073 0.000 1.381 844 I HN 0.675 nan 8.210 nan 0.000 0.571 845 G N 4.805 113.595 108.800 -0.017 0.000 2.509 845 G HA2 0.215 4.173 3.960 -0.002 0.000 0.328 845 G HA3 0.215 4.173 3.960 -0.002 0.000 0.328 845 G C -1.070 173.992 174.900 0.270 0.000 1.194 845 G CA -0.636 44.549 45.100 0.141 0.000 0.967 845 G HN 0.651 nan 8.290 nan 0.000 0.488 846 W N 1.809 123.213 121.300 0.174 0.000 2.550 846 W HA -0.030 4.629 4.660 -0.002 0.000 0.361 846 W C -0.453 176.205 176.519 0.233 0.000 1.014 846 W CA 0.318 57.767 57.345 0.174 0.000 1.069 846 W CB -0.808 28.770 29.460 0.196 0.000 1.115 846 W HN 0.198 nan 8.180 nan 0.000 0.586 847 T N 7.823 122.691 114.554 0.524 0.000 2.947 847 T HA 0.183 4.531 4.350 -0.002 0.000 0.337 847 T C 1.438 176.383 174.700 0.408 0.000 1.139 847 T CA -0.645 61.708 62.100 0.422 0.000 0.992 847 T CB 0.535 69.554 68.868 0.251 0.000 1.043 847 T HN 0.453 nan 8.240 nan 0.000 0.498 848 R N 1.948 122.706 120.500 0.429 0.000 2.193 848 R HA 0.045 4.383 4.340 -0.002 0.000 0.229 848 R C 1.291 177.742 176.300 0.251 0.000 1.110 848 R CA 0.213 56.532 56.100 0.366 0.000 0.988 848 R CB -0.655 29.798 30.300 0.255 0.000 0.871 848 R HN 0.508 nan 8.270 nan 0.000 0.458 849 G N 1.765 110.698 108.800 0.221 0.000 2.257 849 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.235 849 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.235 849 G C -0.082 174.902 174.900 0.140 0.000 1.225 849 G CA 0.422 45.625 45.100 0.171 0.000 0.878 849 G HN 0.321 nan 8.290 nan 0.000 0.505 850 T N 1.587 116.213 114.554 0.120 0.000 2.642 850 T HA 0.422 4.770 4.350 -0.002 0.000 0.258 850 T C 1.141 175.877 174.700 0.061 0.000 1.022 850 T CA 1.019 63.169 62.100 0.083 0.000 1.266 850 T CB -0.508 68.404 68.868 0.073 0.000 0.987 850 T HN 1.194 nan 8.240 nan 0.000 0.518 851 G N 3.215 112.042 108.800 0.044 0.000 3.159 851 G HA2 0.352 4.310 3.960 -0.002 0.000 0.150 851 G HA3 0.352 4.310 3.960 -0.002 0.000 0.150 851 G C 0.231 175.124 174.900 -0.011 0.000 1.193 851 G CA -0.389 44.727 45.100 0.027 0.000 1.177 851 G HN 0.614 nan 8.290 nan 0.000 0.635 852 L N 0.234 121.437 121.223 -0.034 0.000 2.612 852 L HA 0.561 4.900 4.340 -0.002 0.000 0.230 852 L C 1.059 177.840 176.870 -0.149 0.000 1.140 852 L CA 0.315 55.098 54.840 -0.095 0.000 0.896 852 L CB -0.076 41.913 42.059 -0.117 0.000 1.065 852 L HN 0.312 nan 8.230 nan 0.000 0.447 853 M N -1.564 117.969 119.600 -0.111 0.000 3.189 853 M HA 0.127 4.606 4.480 -0.002 0.000 0.365 853 M C 0.942 177.207 176.300 -0.058 0.000 1.447 853 M CA -0.102 55.103 55.300 -0.159 0.000 0.739 853 M CB 1.077 33.524 32.600 -0.254 0.000 1.411 853 M HN -0.040 nan 8.290 nan 0.000 0.494 854 S N 0.505 116.177 115.700 -0.046 0.000 2.345 854 S HA 0.001 4.469 4.470 -0.002 0.000 0.219 854 S C 1.843 176.421 174.600 -0.037 0.000 1.031 854 S CA 1.611 59.802 58.200 -0.016 0.000 0.984 854 S CB 0.146 63.339 63.200 -0.011 0.000 0.874 854 S HN 0.699 nan 8.310 nan 0.000 0.451 855 A N 1.562 124.354 122.820 -0.048 0.000 2.168 855 A HA 0.044 4.363 4.320 -0.002 0.000 0.215 855 A C 1.288 178.850 177.584 -0.036 0.000 1.152 855 A CA 0.766 52.776 52.037 -0.046 0.000 0.716 855 A CB -0.362 18.616 19.000 -0.038 0.000 0.794 855 A HN 0.382 nan 8.150 nan 0.000 0.465 856 N N 0.818 119.503 118.700 -0.025 0.000 2.421 856 N HA -0.006 4.733 4.740 -0.002 0.000 0.201 856 N C 0.481 176.131 175.510 0.233 0.000 1.198 856 N CA 0.210 53.301 53.050 0.068 0.000 0.838 856 N CB -0.057 38.353 38.487 -0.128 0.000 1.011 856 N HN 0.419 nan 8.380 nan 0.000 0.463 857 N N -0.130 118.546 118.700 -0.039 0.000 2.409 857 N HA 0.146 4.884 4.740 -0.002 0.000 0.174 857 N C 1.645 176.886 175.510 -0.449 0.000 1.037 857 N CA 0.113 52.952 53.050 -0.352 0.000 0.898 857 N CB 0.146 38.129 38.487 -0.839 0.000 1.010 857 N HN 0.216 nan 8.380 nan 0.000 0.445 858 L N 0.174 121.256 121.223 -0.235 0.000 2.042 858 L HA -0.079 4.259 4.340 -0.002 0.000 0.210 858 L C 1.387 178.254 176.870 -0.006 0.000 1.076 858 L CA 0.965 55.745 54.840 -0.100 0.000 0.749 858 L CB -0.260 41.781 42.059 -0.030 0.000 0.893 858 L HN -0.023 nan 8.230 nan 0.000 0.432 859 V N -0.633 119.319 119.914 0.064 0.000 3.649 859 V HA 0.103 4.222 4.120 -0.002 0.000 0.275 859 V C 2.244 178.395 176.094 0.095 0.000 1.281 859 V CA 0.714 63.091 62.300 0.128 0.000 1.143 859 V CB -0.239 31.714 31.823 0.217 0.000 0.892 859 V HN 0.344 nan 8.190 nan 0.000 0.441 860 A N 1.962 124.788 122.820 0.011 0.000 1.851 860 A HA -0.264 4.055 4.320 -0.002 0.000 0.216 860 A C 2.255 179.689 177.584 -0.250 0.000 1.195 860 A CA 2.137 54.028 52.037 -0.243 0.000 0.622 860 A CB -0.383 18.529 19.000 -0.147 0.000 0.831 860 A HN 0.740 nan 8.150 nan 0.000 0.444 861 E N -0.556 119.600 120.200 -0.074 0.000 2.106 861 E HA 0.028 4.376 4.350 -0.002 0.000 0.192 861 E C 1.948 178.511 176.600 -0.061 0.000 0.984 861 E CA 1.066 57.428 56.400 -0.063 0.000 0.806 861 E CB -0.797 28.907 29.700 0.008 0.000 0.750 861 E HN 0.392 nan 8.360 nan 0.000 0.458 862 G N 1.625 110.410 108.800 -0.025 0.000 2.514 862 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.217 862 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.217 862 G C 1.735 176.631 174.900 -0.007 0.000 1.198 862 G CA 1.439 46.540 45.100 0.002 0.000 0.780 862 G HN 0.236 nan 8.290 nan 0.000 0.565 863 V N 0.597 120.500 119.914 -0.019 0.000 2.594 863 V HA -0.136 3.983 4.120 -0.002 0.000 0.253 863 V C 2.513 178.574 176.094 -0.055 0.000 1.069 863 V CA 2.106 64.407 62.300 0.001 0.000 1.082 863 V CB -0.335 31.506 31.823 0.029 0.000 0.680 863 V HN 0.510 nan 8.190 nan 0.000 0.469 864 E N -0.186 119.931 120.200 -0.139 0.000 2.208 864 E HA -0.168 4.181 4.350 -0.002 0.000 0.193 864 E C 2.233 178.789 176.600 -0.074 0.000 0.988 864 E CA 0.469 56.782 56.400 -0.145 0.000 0.828 864 E CB 0.021 29.594 29.700 -0.212 0.000 0.763 864 E HN 0.529 nan 8.360 nan 0.000 0.478 865 K N 0.280 120.651 120.400 -0.048 0.000 2.127 865 K HA -0.135 4.184 4.320 -0.002 0.000 0.208 865 K C 1.514 178.114 176.600 -0.001 0.000 1.047 865 K CA 0.923 57.197 56.287 -0.021 0.000 0.927 865 K CB -0.064 32.431 32.500 -0.007 0.000 0.716 865 K HN 0.224 nan 8.250 nan 0.000 0.450 866 L N 0.299 121.530 121.223 0.014 0.000 2.737 866 L HA 0.033 4.372 4.340 -0.002 0.000 0.246 866 L C 0.863 177.760 176.870 0.045 0.000 1.153 866 L CA 0.476 55.338 54.840 0.037 0.000 0.920 866 L CB -0.684 41.410 42.059 0.059 0.000 1.090 866 L HN 0.467 nan 8.230 nan 0.000 0.430 867 G N 0.102 108.921 108.800 0.032 0.000 2.132 867 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.228 867 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.228 867 G C -0.191 174.786 174.900 0.128 0.000 1.000 867 G CA 0.259 45.393 45.100 0.056 0.000 0.693 867 G HN 0.241 nan 8.290 nan 0.000 0.515 868 V N -0.835 119.131 119.914 0.086 0.000 3.126 868 V HA 0.969 5.088 4.120 -0.002 0.000 0.314 868 V C -0.132 175.895 176.094 -0.112 0.000 1.138 868 V CA -0.882 61.508 62.300 0.149 0.000 1.034 868 V CB 2.061 33.997 31.823 0.189 0.000 1.075 868 V HN 0.757 nan 8.190 nan 0.000 0.442 869 R N 1.359 121.711 120.500 -0.247 0.000 2.561 869 R HA 0.714 5.053 4.340 -0.002 0.000 0.297 869 R C -0.648 175.363 176.300 -0.481 0.000 0.969 869 R CA 0.300 56.088 56.100 -0.520 0.000 0.879 869 R CB 1.834 31.561 30.300 -0.953 0.000 1.178 869 R HN 0.986 nan 8.270 nan 0.000 0.445 870 T N 0.494 114.736 114.554 -0.520 0.000 2.952 870 T HA 0.657 5.005 4.350 -0.002 0.000 0.286 870 T C -0.572 173.858 174.700 -0.450 0.000 1.024 870 T CA -0.531 61.321 62.100 -0.413 0.000 1.029 870 T CB 0.747 69.234 68.868 -0.636 0.000 1.094 870 T HN 0.275 nan 8.240 nan 0.000 0.515 871 F N 0.929 120.887 119.950 0.014 0.000 2.538 871 F HA 0.628 5.154 4.527 -0.002 0.000 0.325 871 F C 1.025 176.867 175.800 0.071 0.000 1.066 871 F CA -0.926 57.111 58.000 0.063 0.000 0.946 871 F CB 2.063 41.150 39.000 0.145 0.000 1.199 871 F HN 0.888 nan 8.300 nan 0.000 0.473 872 S N 0.650 116.483 115.700 0.223 0.000 2.652 872 S HA 0.240 4.709 4.470 -0.002 0.000 0.270 872 S C 0.598 175.329 174.600 0.218 0.000 1.243 872 S CA -0.633 57.672 58.200 0.174 0.000 0.999 872 S CB 1.204 64.458 63.200 0.091 0.000 0.973 872 S HN 0.747 nan 8.310 nan 0.000 0.544 873 Q N 0.730 120.638 119.800 0.181 0.000 2.050 873 Q HA -0.181 4.158 4.340 -0.002 0.000 0.202 873 Q C 2.351 178.462 176.000 0.184 0.000 0.980 873 Q CA 1.489 57.396 55.803 0.174 0.000 0.840 873 Q CB -0.408 28.413 28.738 0.138 0.000 0.898 873 Q HN 0.897 nan 8.270 nan 0.000 0.424 874 Q N 1.438 121.344 119.800 0.176 0.000 2.181 874 Q HA -0.210 4.129 4.340 -0.002 0.000 0.205 874 Q C 1.392 177.592 176.000 0.333 0.000 0.980 874 Q CA 1.581 57.508 55.803 0.207 0.000 0.862 874 Q CB -0.295 28.549 28.738 0.177 0.000 0.905 874 Q HN 0.524 nan 8.270 nan 0.000 0.429 875 E N 0.240 120.626 120.200 0.311 0.000 2.017 875 E HA -0.095 4.254 4.350 -0.002 0.000 0.193 875 E C 2.176 179.038 176.600 0.437 0.000 0.997 875 E CA 1.199 57.793 56.400 0.324 0.000 0.804 875 E CB -0.062 29.674 29.700 0.059 0.000 0.757 875 E HN 0.225 nan 8.360 nan 0.000 0.448 876 M N 0.336 120.117 119.600 0.302 0.000 2.149 876 M HA -0.141 4.337 4.480 -0.002 0.000 0.261 876 M C 2.321 178.744 176.300 0.206 0.000 1.064 876 M CA 1.231 56.637 55.300 0.177 0.000 1.102 876 M CB -0.898 31.765 32.600 0.105 0.000 1.369 876 M HN 0.136 nan 8.290 nan 0.000 0.408 877 A N -0.431 122.524 122.820 0.226 0.000 1.873 877 A HA -0.201 4.117 4.320 -0.002 0.000 0.215 877 A C 2.036 179.771 177.584 0.252 0.000 1.186 877 A CA 1.296 53.430 52.037 0.162 0.000 0.616 877 A CB -1.057 18.003 19.000 0.101 0.000 0.823 877 A HN 0.429 nan 8.150 nan 0.000 0.442 878 F N 2.076 122.187 119.950 0.269 0.000 2.043 878 F HA -0.272 4.254 4.527 -0.002 0.000 0.297 878 F C 1.957 177.991 175.800 0.391 0.000 1.121 878 F CA 2.238 60.492 58.000 0.423 0.000 1.199 878 F CB -0.616 38.689 39.000 0.509 0.000 0.968 878 F HN 0.249 nan 8.300 nan 0.000 0.478 879 N N 0.809 119.664 118.700 0.257 0.000 2.094 879 N HA -0.209 4.529 4.740 -0.002 0.000 0.191 879 N C 2.072 177.662 175.510 0.135 0.000 1.023 879 N CA 1.914 55.060 53.050 0.160 0.000 0.857 879 N CB -0.815 37.805 38.487 0.221 0.000 1.013 879 N HN 0.378 nan 8.380 nan 0.000 0.426 880 L N 0.364 121.659 121.223 0.119 0.000 1.988 880 L HA -0.057 4.282 4.340 -0.002 0.000 0.207 880 L C 2.112 179.029 176.870 0.078 0.000 1.071 880 L CA 0.684 55.573 54.840 0.081 0.000 0.744 880 L CB -0.519 41.588 42.059 0.081 0.000 0.893 880 L HN 0.084 nan 8.230 nan 0.000 0.433 881 L N -0.138 121.134 121.223 0.081 0.000 2.357 881 L HA -0.209 4.130 4.340 -0.002 0.000 0.220 881 L C 2.472 179.488 176.870 0.242 0.000 1.123 881 L CA 1.153 56.083 54.840 0.150 0.000 0.782 881 L CB -0.976 41.189 42.059 0.177 0.000 0.910 881 L HN 0.354 nan 8.230 nan 0.000 0.442 882 G N 0.130 109.027 108.800 0.161 0.000 2.404 882 G HA2 -0.181 3.777 3.960 -0.002 0.000 0.215 882 G HA3 -0.181 3.777 3.960 -0.002 0.000 0.215 882 G C 1.440 176.497 174.900 0.262 0.000 1.174 882 G CA 0.467 45.695 45.100 0.213 0.000 0.780 882 G HN 0.368 nan 8.290 nan 0.000 0.537 883 L N 0.379 121.686 121.223 0.140 0.000 2.551 883 L HA 0.122 4.460 4.340 -0.002 0.000 0.228 883 L C 2.551 179.511 176.870 0.150 0.000 1.153 883 L CA 0.182 55.042 54.840 0.034 0.000 0.851 883 L CB -0.434 41.573 42.059 -0.086 0.000 0.959 883 L HN 0.171 nan 8.230 nan 0.000 0.451 884 M N 0.268 120.010 119.600 0.238 0.000 2.506 884 M HA 0.150 4.628 4.480 -0.002 0.000 0.260 884 M C 1.263 177.852 176.300 0.482 0.000 1.104 884 M CA 0.207 55.756 55.300 0.414 0.000 1.112 884 M CB -0.454 32.309 32.600 0.273 0.000 1.401 884 M HN 0.219 nan 8.290 nan 0.000 0.473 885 A N 1.701 124.713 122.820 0.319 0.000 2.445 885 A HA 0.221 4.539 4.320 -0.002 0.000 0.242 885 A C -1.448 176.243 177.584 0.179 0.000 1.075 885 A CA -0.995 51.172 52.037 0.216 0.000 0.777 885 A CB -0.316 18.774 19.000 0.151 0.000 1.013 885 A HN 0.104 nan 8.150 nan 0.000 0.493 886 P HA -0.228 nan 4.420 nan 0.000 0.216 886 P C 1.703 179.054 177.300 0.085 0.000 1.153 886 P CA 2.399 65.557 63.100 0.097 0.000 0.858 886 P CB 0.044 31.782 31.700 0.062 0.000 0.789 887 A N -0.292 122.582 122.820 0.089 0.000 1.859 887 A HA -0.254 4.064 4.320 -0.002 0.000 0.218 887 A C 2.280 179.919 177.584 0.092 0.000 1.209 887 A CA 2.134 54.224 52.037 0.090 0.000 0.639 887 A CB -1.712 17.352 19.000 0.106 0.000 0.835 887 A HN 0.121 nan 8.150 nan 0.000 0.450 888 I N -0.569 120.067 120.570 0.111 0.000 2.252 888 I HA -0.191 3.978 4.170 -0.002 0.000 0.245 888 I C 2.352 178.506 176.117 0.061 0.000 1.102 888 I CA 1.004 62.357 61.300 0.087 0.000 1.385 888 I CB -0.301 37.749 38.000 0.083 0.000 1.064 888 I HN 0.171 nan 8.210 nan 0.000 0.414 889 V N 1.321 121.281 119.914 0.076 0.000 2.380 889 V HA -0.336 3.782 4.120 -0.002 0.000 0.251 889 V C 2.051 178.163 176.094 0.030 0.000 1.063 889 V CA 2.009 64.338 62.300 0.047 0.000 1.055 889 V CB -0.848 31.003 31.823 0.048 0.000 0.657 889 V HN 0.509 nan 8.190 nan 0.000 0.455 890 N N -0.302 118.423 118.700 0.041 0.000 2.354 890 N HA -0.006 4.733 4.740 -0.002 0.000 0.179 890 N C 1.830 177.362 175.510 0.036 0.000 1.021 890 N CA 0.984 54.057 53.050 0.039 0.000 0.887 890 N CB -0.021 38.493 38.487 0.044 0.000 0.974 890 N HN 0.409 nan 8.380 nan 0.000 0.437 891 L N 0.600 121.844 121.223 0.034 0.000 2.046 891 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 891 L C 2.543 179.399 176.870 -0.023 0.000 1.077 891 L CA 0.957 55.811 54.840 0.024 0.000 0.747 891 L CB -0.547 41.534 42.059 0.038 0.000 0.896 891 L HN 0.218 nan 8.230 nan 0.000 0.432 892 C N -0.386 118.890 119.300 -0.039 0.000 2.422 892 C HA -0.165 4.294 4.460 -0.002 0.000 0.279 892 C C 2.761 177.673 174.990 -0.130 0.000 1.305 892 C CA 0.672 59.619 59.018 -0.120 0.000 1.757 892 C CB -0.885 26.813 27.740 -0.070 0.000 1.962 892 C HN 0.538 nan 8.230 nan 0.000 0.499 893 Q N 0.629 120.432 119.800 0.005 0.000 2.436 893 Q HA -0.091 4.248 4.340 -0.002 0.000 0.209 893 Q C 2.105 178.208 176.000 0.172 0.000 0.965 893 Q CA 1.689 57.563 55.803 0.118 0.000 0.910 893 Q CB -0.085 28.711 28.738 0.095 0.000 0.980 893 Q HN 0.876 nan 8.270 nan 0.000 0.491 894 S N -1.224 114.517 115.700 0.068 0.000 2.539 894 S HA 0.137 4.605 4.470 -0.002 0.000 0.226 894 S C 0.095 174.710 174.600 0.024 0.000 1.054 894 S CA -0.289 57.987 58.200 0.126 0.000 0.910 894 S CB 0.726 63.985 63.200 0.097 0.000 0.818 894 S HN 0.016 nan 8.310 nan 0.000 0.490 895 D N 1.582 121.846 120.400 -0.228 0.000 2.931 895 D HA 0.414 5.053 4.640 -0.002 0.000 0.215 895 D C -3.205 172.834 176.300 -0.433 0.000 1.297 895 D CA -1.215 52.608 54.000 -0.295 0.000 0.892 895 D CB 2.063 42.871 40.800 0.014 0.000 1.642 895 D HN -0.093 nan 8.370 nan 0.000 0.560 896 P HA -0.030 nan 4.420 nan 0.000 0.266 896 P C -0.484 176.822 177.300 0.010 0.000 1.180 896 P CA -0.032 62.870 63.100 -0.330 0.000 0.765 896 P CB 0.670 32.305 31.700 -0.108 0.000 0.806 897 V N 4.374 124.316 119.914 0.046 0.000 2.448 897 V HA 0.354 4.472 4.120 -0.002 0.000 0.295 897 V C -0.187 175.912 176.094 0.009 0.000 1.025 897 V CA -0.498 61.832 62.300 0.050 0.000 0.859 897 V CB 1.047 32.864 31.823 -0.009 0.000 0.988 897 V HN 0.413 nan 8.190 nan 0.000 0.431 898 F N 3.643 123.407 119.950 -0.311 0.000 2.379 898 F HA 0.729 5.255 4.527 -0.002 0.000 0.332 898 F C 0.403 176.051 175.800 -0.254 0.000 1.096 898 F CA -0.226 57.460 58.000 -0.524 0.000 1.105 898 F CB 1.386 39.753 39.000 -1.055 0.000 1.189 898 F HN 0.531 nan 8.300 nan 0.000 0.515 899 A N 4.605 127.474 122.820 0.082 0.000 2.872 899 A HA 0.180 4.499 4.320 -0.002 0.000 0.305 899 A C -1.361 176.212 177.584 -0.018 0.000 1.171 899 A CA -0.675 51.350 52.037 -0.020 0.000 0.782 899 A CB 0.075 18.960 19.000 -0.191 0.000 1.329 899 A HN 0.646 nan 8.150 nan 0.000 0.432 900 D N 3.041 123.436 120.400 -0.008 0.000 2.346 900 D HA 0.124 4.763 4.640 -0.002 0.000 0.267 900 D C 0.217 176.447 176.300 -0.117 0.000 1.320 900 D CA 0.272 54.213 54.000 -0.099 0.000 0.951 900 D CB 0.409 40.951 40.800 -0.431 0.000 1.079 900 D HN 0.535 nan 8.370 nan 0.000 0.509 901 L N 3.376 124.576 121.223 -0.038 0.000 2.984 901 L HA 0.188 4.527 4.340 -0.002 0.000 0.246 901 L C 0.707 177.559 176.870 -0.029 0.000 1.268 901 L CA -0.563 54.258 54.840 -0.031 0.000 1.054 901 L CB -0.457 41.546 42.059 -0.094 0.000 1.393 901 L HN 0.161 nan 8.230 nan 0.000 0.532 902 N N 1.023 119.798 118.700 0.124 0.000 2.518 902 N HA 0.156 4.895 4.740 -0.002 0.000 0.283 902 N C 1.067 176.889 175.510 0.520 0.000 1.119 902 N CA -0.064 53.153 53.050 0.279 0.000 0.983 902 N CB 1.908 40.548 38.487 0.254 0.000 1.139 902 N HN 0.168 nan 8.380 nan 0.000 0.465 903 G N 1.168 110.398 108.800 0.718 0.000 3.229 903 G HA2 0.227 4.186 3.960 -0.002 0.000 0.214 903 G HA3 0.227 4.186 3.960 -0.002 0.000 0.214 903 G C 0.929 176.246 174.900 0.694 0.000 1.256 903 G CA 0.154 45.645 45.100 0.653 0.000 1.042 903 G HN 1.014 nan 8.290 nan 0.000 0.497 904 G N -0.529 108.685 108.800 0.690 0.000 2.143 904 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.248 904 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.248 904 G C 1.036 176.261 174.900 0.542 0.000 0.991 904 G CA 0.382 45.842 45.100 0.599 0.000 0.689 904 G HN 0.522 nan 8.290 nan 0.000 0.522 905 L N -0.214 121.285 121.223 0.460 0.000 2.633 905 L HA 0.018 4.357 4.340 -0.002 0.000 0.235 905 L C 2.479 179.553 176.870 0.341 0.000 1.163 905 L CA 1.347 56.420 54.840 0.389 0.000 0.859 905 L CB -0.103 42.189 42.059 0.389 0.000 0.973 905 L HN 0.359 nan 8.230 nan 0.000 0.451 906 Q N -1.153 118.860 119.800 0.354 0.000 2.541 906 Q HA -0.060 4.279 4.340 -0.002 0.000 0.215 906 Q C 1.127 177.081 176.000 -0.078 0.000 0.977 906 Q CA 1.188 57.061 55.803 0.115 0.000 0.934 906 Q CB -0.139 28.611 28.738 0.020 0.000 0.988 906 Q HN 0.483 nan 8.270 nan 0.000 0.521 907 F N -0.779 119.234 119.950 0.104 0.000 2.740 907 F HA 0.288 4.814 4.527 -0.002 0.000 0.304 907 F C 0.487 176.332 175.800 0.075 0.000 1.098 907 F CA -0.537 57.508 58.000 0.074 0.000 1.258 907 F CB 0.729 39.765 39.000 0.061 0.000 1.061 907 F HN -0.094 nan 8.300 nan 0.000 0.598 908 I N 3.813 124.545 120.570 0.269 0.000 2.347 908 I HA 0.187 4.356 4.170 -0.002 0.000 0.294 908 I C -2.442 173.746 176.117 0.117 0.000 1.090 908 I CA -1.662 59.745 61.300 0.179 0.000 1.314 908 I CB -0.162 37.952 38.000 0.190 0.000 1.423 908 I HN -0.214 nan 8.210 nan 0.000 0.503 909 P HA 0.225 nan 4.420 nan 0.000 0.285 909 P C -0.192 177.110 177.300 0.002 0.000 1.269 909 P CA -0.314 62.804 63.100 0.030 0.000 0.844 909 P CB 0.687 32.401 31.700 0.024 0.000 1.094 910 D N 0.038 120.413 120.400 -0.042 0.000 2.708 910 D HA -0.147 4.492 4.640 -0.002 0.000 0.236 910 D C 0.742 176.978 176.300 -0.106 0.000 1.146 910 D CA 0.162 54.111 54.000 -0.085 0.000 0.662 910 D CB -0.660 40.111 40.800 -0.047 0.000 1.059 910 D HN 0.189 nan 8.370 nan 0.000 0.428 911 L N 1.427 122.573 121.223 -0.129 0.000 2.043 911 L HA -0.167 4.172 4.340 -0.002 0.000 0.212 911 L C 2.479 179.229 176.870 -0.200 0.000 1.075 911 L CA 2.925 57.717 54.840 -0.080 0.000 0.752 911 L CB -0.791 41.279 42.059 0.018 0.000 0.891 911 L HN 0.474 nan 8.230 nan 0.000 0.432 912 K N -1.370 118.687 120.400 -0.571 0.000 2.147 912 K HA -0.075 4.244 4.320 -0.002 0.000 0.205 912 K C 1.947 178.450 176.600 -0.162 0.000 1.049 912 K CA 1.496 57.470 56.287 -0.523 0.000 0.936 912 K CB -0.984 31.030 32.500 -0.810 0.000 0.722 912 K HN 0.322 nan 8.250 nan 0.000 0.446 913 G N 2.041 110.761 108.800 -0.134 0.000 2.404 913 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.215 913 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.215 913 G C 1.458 176.354 174.900 -0.007 0.000 1.174 913 G CA 0.827 45.896 45.100 -0.052 0.000 0.780 913 G HN 0.310 nan 8.290 nan 0.000 0.537 914 L N 0.787 122.014 121.223 0.007 0.000 1.990 914 L HA -0.109 4.230 4.340 -0.002 0.000 0.213 914 L C 2.798 179.714 176.870 0.077 0.000 1.072 914 L CA 2.122 56.991 54.840 0.049 0.000 0.755 914 L CB -0.688 41.415 42.059 0.075 0.000 0.889 914 L HN 0.293 nan 8.230 nan 0.000 0.432 915 M N -0.431 119.232 119.600 0.104 0.000 2.084 915 M HA -0.217 4.262 4.480 -0.002 0.000 0.259 915 M C 2.207 178.565 176.300 0.097 0.000 1.072 915 M CA 2.770 58.159 55.300 0.147 0.000 1.107 915 M CB -1.456 31.260 32.600 0.193 0.000 1.299 915 M HN 0.592 nan 8.290 nan 0.000 0.413 916 T N -0.917 113.678 114.554 0.068 0.000 2.778 916 T HA -0.216 4.133 4.350 -0.002 0.000 0.269 916 T C 1.693 176.418 174.700 0.041 0.000 1.050 916 T CA 1.770 63.899 62.100 0.048 0.000 1.137 916 T CB -0.453 68.434 68.868 0.031 0.000 0.860 916 T HN 0.421 nan 8.240 nan 0.000 0.468 917 K N 0.857 121.282 120.400 0.041 0.000 2.001 917 K HA 0.016 4.335 4.320 -0.002 0.000 0.208 917 K C 2.390 179.015 176.600 0.043 0.000 1.048 917 K CA 1.195 57.504 56.287 0.037 0.000 0.932 917 K CB -0.379 32.142 32.500 0.035 0.000 0.715 917 K HN 0.367 nan 8.250 nan 0.000 0.437 918 L N 0.893 122.150 121.223 0.056 0.000 2.017 918 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 918 L C 2.810 179.713 176.870 0.054 0.000 1.073 918 L CA 1.111 55.986 54.840 0.058 0.000 0.745 918 L CB -0.449 41.657 42.059 0.077 0.000 0.894 918 L HN 0.221 nan 8.230 nan 0.000 0.432 919 R N 0.277 120.813 120.500 0.060 0.000 2.159 919 R HA -0.286 4.052 4.340 -0.002 0.000 0.249 919 R C 2.258 178.579 176.300 0.036 0.000 1.136 919 R CA 2.144 58.273 56.100 0.048 0.000 0.951 919 R CB -0.489 29.840 30.300 0.048 0.000 0.876 919 R HN 0.363 nan 8.270 nan 0.000 0.440 920 K N 0.711 121.131 120.400 0.034 0.000 1.965 920 K HA -0.180 4.138 4.320 -0.002 0.000 0.214 920 K C 1.993 178.609 176.600 0.027 0.000 1.046 920 K CA 1.971 58.275 56.287 0.027 0.000 0.944 920 K CB -0.098 32.417 32.500 0.025 0.000 0.726 920 K HN 0.204 nan 8.250 nan 0.000 0.441 921 E N 0.629 120.846 120.200 0.028 0.000 2.068 921 E HA -0.275 4.074 4.350 -0.002 0.000 0.207 921 E C 2.079 178.695 176.600 0.027 0.000 1.032 921 E CA 2.217 58.633 56.400 0.027 0.000 0.839 921 E CB -0.397 29.320 29.700 0.029 0.000 0.758 921 E HN 0.377 nan 8.360 nan 0.000 0.457 922 I N 0.417 121.005 120.570 0.031 0.000 2.118 922 I HA -0.309 3.860 4.170 -0.002 0.000 0.241 922 I C 2.529 178.663 176.117 0.027 0.000 1.070 922 I CA 0.975 62.293 61.300 0.031 0.000 1.327 922 I CB -0.355 37.665 38.000 0.034 0.000 1.034 922 I HN 0.206 nan 8.210 nan 0.000 0.405 923 M N 0.045 119.661 119.600 0.026 0.000 2.159 923 M HA -0.193 4.286 4.480 -0.002 0.000 0.263 923 M C 2.146 178.459 176.300 0.021 0.000 1.063 923 M CA 1.613 56.926 55.300 0.023 0.000 1.110 923 M CB -1.135 31.478 32.600 0.021 0.000 1.374 923 M HN 0.288 nan 8.290 nan 0.000 0.411 924 E N -0.005 120.208 120.200 0.021 0.000 2.008 924 E HA -0.159 4.189 4.350 -0.002 0.000 0.191 924 E C 1.860 178.471 176.600 0.019 0.000 0.986 924 E CA 2.050 58.461 56.400 0.019 0.000 0.807 924 E CB 0.063 29.774 29.700 0.019 0.000 0.766 924 E HN 0.566 nan 8.360 nan 0.000 0.450 925 T N -0.819 113.747 114.554 0.020 0.000 2.803 925 T HA -0.210 4.139 4.350 -0.002 0.000 0.269 925 T C 2.107 176.819 174.700 0.020 0.000 1.052 925 T CA 1.771 63.883 62.100 0.020 0.000 1.136 925 T CB -0.556 68.325 68.868 0.021 0.000 0.864 925 T HN 0.200 nan 8.240 nan 0.000 0.467 926 S N 2.266 117.979 115.700 0.022 0.000 2.357 926 S HA 0.173 4.641 4.470 -0.002 0.000 0.221 926 S C 2.523 177.135 174.600 0.020 0.000 1.031 926 S CA 0.834 59.047 58.200 0.022 0.000 0.982 926 S CB -1.002 62.213 63.200 0.025 0.000 0.853 926 S HN 0.755 nan 8.310 nan 0.000 0.458 927 A N 2.310 125.142 122.820 0.019 0.000 1.883 927 A HA 0.026 4.345 4.320 -0.002 0.000 0.217 927 A C 2.264 179.858 177.584 0.017 0.000 1.186 927 A CA 1.661 53.709 52.037 0.018 0.000 0.624 927 A CB -1.032 17.978 19.000 0.017 0.000 0.822 927 A HN 0.619 nan 8.150 nan 0.000 0.444 928 I N -1.115 119.464 120.570 0.016 0.000 2.118 928 I HA -0.319 3.850 4.170 -0.002 0.000 0.241 928 I C 2.755 178.881 176.117 0.016 0.000 1.070 928 I CA 2.037 63.346 61.300 0.015 0.000 1.327 928 I CB -0.429 37.580 38.000 0.015 0.000 1.034 928 I HN 0.389 nan 8.210 nan 0.000 0.405 929 R N 1.062 121.572 120.500 0.016 0.000 2.083 929 R HA -0.243 4.096 4.340 -0.002 0.000 0.237 929 R C 2.431 178.741 176.300 0.017 0.000 1.137 929 R CA 2.149 58.259 56.100 0.017 0.000 0.951 929 R CB -0.183 30.128 30.300 0.018 0.000 0.851 929 R HN 0.573 nan 8.270 nan 0.000 0.434 930 Q N -0.987 118.824 119.800 0.018 0.000 2.269 930 Q HA 0.067 4.405 4.340 -0.002 0.000 0.201 930 Q C 1.920 177.930 176.000 0.017 0.000 0.946 930 Q CA 0.829 56.642 55.803 0.018 0.000 0.877 930 Q CB -0.045 28.704 28.738 0.019 0.000 0.963 930 Q HN 0.311 nan 8.270 nan 0.000 0.472 931 A N 1.939 124.768 122.820 0.016 0.000 1.841 931 A HA -0.160 4.158 4.320 -0.002 0.000 0.216 931 A C 2.420 180.013 177.584 0.015 0.000 1.199 931 A CA 1.838 53.884 52.037 0.015 0.000 0.621 931 A CB -1.160 17.849 19.000 0.015 0.000 0.835 931 A HN 0.205 nan 8.150 nan 0.000 0.445 932 V N 0.539 120.462 119.914 0.015 0.000 2.277 932 V HA -0.369 3.749 4.120 -0.002 0.000 0.253 932 V C 2.447 178.550 176.094 0.015 0.000 1.067 932 V CA 2.328 64.637 62.300 0.014 0.000 1.047 932 V CB -0.882 30.949 31.823 0.013 0.000 0.649 932 V HN 0.575 nan 8.190 nan 0.000 0.447 933 I N -0.715 119.864 120.570 0.016 0.000 2.091 933 I HA -0.352 3.817 4.170 -0.002 0.000 0.239 933 I C 2.642 178.771 176.117 0.019 0.000 1.061 933 I CA 2.023 63.334 61.300 0.018 0.000 1.317 933 I CB -0.568 37.443 38.000 0.019 0.000 1.031 933 I HN 0.290 nan 8.210 nan 0.000 0.401 934 K N 0.353 120.764 120.400 0.018 0.000 2.020 934 K HA -0.221 4.098 4.320 -0.002 0.000 0.212 934 K C 2.135 178.745 176.600 0.018 0.000 1.050 934 K CA 1.522 57.820 56.287 0.019 0.000 0.929 934 K CB -0.167 32.343 32.500 0.018 0.000 0.714 934 K HN 0.256 nan 8.250 nan 0.000 0.443 935 E N -0.006 120.203 120.200 0.016 0.000 2.048 935 E HA -0.214 4.135 4.350 -0.002 0.000 0.202 935 E C 2.186 178.795 176.600 0.015 0.000 1.021 935 E CA 2.214 58.623 56.400 0.015 0.000 0.825 935 E CB -0.671 29.037 29.700 0.013 0.000 0.756 935 E HN 0.533 nan 8.360 nan 0.000 0.454 936 T N -0.650 113.913 114.554 0.015 0.000 2.777 936 T HA 0.003 4.352 4.350 -0.002 0.000 0.266 936 T C 2.070 176.781 174.700 0.019 0.000 1.040 936 T CA 1.561 63.670 62.100 0.015 0.000 1.141 936 T CB -0.339 68.537 68.868 0.014 0.000 0.868 936 T HN 0.167 nan 8.240 nan 0.000 0.444 937 A N 0.641 123.475 122.820 0.022 0.000 2.121 937 A HA 0.263 4.582 4.320 -0.002 0.000 0.218 937 A C 2.253 179.854 177.584 0.030 0.000 1.154 937 A CA 0.753 52.807 52.037 0.029 0.000 0.679 937 A CB -0.799 18.219 19.000 0.030 0.000 0.795 937 A HN 0.627 nan 8.150 nan 0.000 0.458 938 I N -1.127 119.457 120.570 0.024 0.000 2.703 938 I HA -0.107 4.061 4.170 -0.002 0.000 0.259 938 I C 2.217 178.347 176.117 0.021 0.000 1.151 938 I CA 0.680 61.995 61.300 0.024 0.000 1.470 938 I CB -0.136 37.876 38.000 0.020 0.000 1.112 938 I HN 0.342 nan 8.210 nan 0.000 0.437 939 E N 0.881 121.091 120.200 0.017 0.000 2.153 939 E HA -0.193 4.156 4.350 -0.002 0.000 0.194 939 E C 1.645 178.253 176.600 0.012 0.000 0.988 939 E CA 0.923 57.330 56.400 0.012 0.000 0.811 939 E CB -0.057 29.649 29.700 0.009 0.000 0.746 939 E HN 0.452 nan 8.360 nan 0.000 0.466 940 N N 1.041 119.752 118.700 0.019 0.000 2.142 940 N HA -0.122 4.617 4.740 -0.002 0.000 0.186 940 N C 1.436 176.967 175.510 0.035 0.000 1.023 940 N CA 0.985 54.049 53.050 0.024 0.000 0.852 940 N CB -0.107 38.403 38.487 0.039 0.000 0.998 940 N HN 0.059 nan 8.380 nan 0.000 0.424 941 K N 0.200 120.625 120.400 0.041 0.000 2.209 941 K HA 0.006 4.325 4.320 -0.002 0.000 0.204 941 K C 1.791 178.410 176.600 0.033 0.000 1.048 941 K CA 0.416 56.731 56.287 0.047 0.000 0.940 941 K CB 0.025 32.550 32.500 0.042 0.000 0.729 941 K HN -0.043 nan 8.250 nan 0.000 0.451 942 V N 0.020 119.947 119.914 0.021 0.000 2.379 942 V HA -0.186 3.933 4.120 -0.002 0.000 0.245 942 V C 1.980 178.077 176.094 0.005 0.000 1.044 942 V CA 1.394 63.702 62.300 0.013 0.000 1.036 942 V CB 0.066 31.895 31.823 0.009 0.000 0.664 942 V HN 0.080 nan 8.190 nan 0.000 0.453 943 V N 0.347 120.259 119.914 -0.003 0.000 2.331 943 V HA -0.051 4.068 4.120 -0.002 0.000 0.242 943 V C 1.871 177.941 176.094 -0.040 0.000 1.034 943 V CA 1.614 63.901 62.300 -0.022 0.000 1.027 943 V CB -0.583 31.220 31.823 -0.032 0.000 0.667 943 V HN 0.544 nan 8.190 nan 0.000 0.457 944 N N 0.337 119.012 118.700 -0.042 0.000 2.398 944 N HA 0.241 4.980 4.740 -0.002 0.000 0.188 944 N C 0.888 176.410 175.510 0.020 0.000 1.122 944 N CA 0.922 53.921 53.050 -0.085 0.000 0.866 944 N CB 0.335 38.726 38.487 -0.161 0.000 0.970 944 N HN 0.541 nan 8.380 nan 0.000 0.462 945 G N 1.010 109.832 108.800 0.037 0.000 2.814 945 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.677 945 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.677 945 G C 0.366 175.317 174.900 0.085 0.000 1.429 945 G CA -0.247 44.886 45.100 0.056 0.000 0.868 945 G HN 0.064 nan 8.290 nan 0.000 0.553 946 E N 0.165 120.407 120.200 0.069 0.000 2.077 946 E HA -0.027 4.321 4.350 -0.002 0.000 0.193 946 E C 2.202 178.855 176.600 0.088 0.000 0.989 946 E CA 1.931 58.372 56.400 0.069 0.000 0.800 946 E CB -0.143 29.586 29.700 0.048 0.000 0.746 946 E HN 0.558 nan 8.360 nan 0.000 0.452 947 D N -0.623 119.833 120.400 0.093 0.000 2.087 947 D HA -0.192 4.447 4.640 -0.002 0.000 0.192 947 D C 1.942 178.333 176.300 0.153 0.000 0.993 947 D CA 1.321 55.381 54.000 0.100 0.000 0.828 947 D CB -0.689 40.166 40.800 0.092 0.000 0.968 947 D HN 0.306 nan 8.370 nan 0.000 0.448 948 H N 1.340 120.478 119.070 0.112 0.000 2.290 948 H HA -0.120 4.435 4.556 -0.002 0.000 0.298 948 H C 1.785 177.258 175.328 0.242 0.000 1.087 948 H CA 1.624 57.779 56.048 0.178 0.000 1.291 948 H CB 0.212 30.012 29.762 0.063 0.000 1.369 948 H HN 0.015 nan 8.280 nan 0.000 0.492 949 E N 0.716 121.085 120.200 0.282 0.000 2.070 949 E HA -0.159 4.190 4.350 -0.002 0.000 0.197 949 E C 2.424 179.097 176.600 0.123 0.000 1.004 949 E CA 1.084 57.603 56.400 0.198 0.000 0.805 949 E CB -0.654 29.142 29.700 0.159 0.000 0.744 949 E HN 0.581 nan 8.360 nan 0.000 0.451 950 A N 1.428 124.303 122.820 0.091 0.000 1.873 950 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 950 A C 2.333 179.912 177.584 -0.008 0.000 1.193 950 A CA 1.587 53.649 52.037 0.041 0.000 0.629 950 A CB -0.871 18.147 19.000 0.031 0.000 0.826 950 A HN 0.258 nan 8.150 nan 0.000 0.447 951 L N -2.340 118.854 121.223 -0.048 0.000 2.549 951 L HA -0.066 4.273 4.340 -0.002 0.000 0.229 951 L C 0.403 176.963 176.870 -0.516 0.000 1.158 951 L CA 0.602 55.279 54.840 -0.272 0.000 0.842 951 L CB -0.461 41.383 42.059 -0.358 0.000 0.952 951 L HN 0.487 nan 8.230 nan 0.000 0.452 952 Y N 0.139 120.364 120.300 -0.126 0.000 2.617 952 Y HA 0.368 4.917 4.550 -0.002 0.000 0.328 952 Y C 0.224 176.091 175.900 -0.055 0.000 0.946 952 Y CA -0.591 57.441 58.100 -0.114 0.000 1.241 952 Y CB 0.306 38.647 38.460 -0.198 0.000 1.226 952 Y HN -0.011 nan 8.280 nan 0.000 0.582 953 R N 0.268 120.787 120.500 0.032 0.000 2.562 953 R HA 0.460 4.799 4.340 -0.002 0.000 0.298 953 R C -0.246 176.061 176.300 0.013 0.000 0.961 953 R CA -1.152 54.968 56.100 0.034 0.000 0.881 953 R CB 1.659 31.975 30.300 0.026 0.000 1.159 953 R HN 0.243 nan 8.270 nan 0.000 0.450 954 R N 1.657 122.171 120.500 0.023 0.000 2.638 954 R HA -0.041 4.297 4.340 -0.002 0.000 0.351 954 R C -0.298 176.006 176.300 0.007 0.000 0.871 954 R CA 0.240 56.349 56.100 0.015 0.000 1.091 954 R CB 0.056 30.368 30.300 0.021 0.000 0.900 954 R HN 0.301 nan 8.270 nan 0.000 0.405 955 V N 7.176 127.088 119.914 -0.004 0.000 2.403 955 V HA 0.046 4.165 4.120 -0.002 0.000 0.265 955 V C 0.788 176.885 176.094 0.005 0.000 1.034 955 V CA 0.326 62.623 62.300 -0.005 0.000 1.036 955 V CB 0.322 32.135 31.823 -0.017 0.000 1.032 955 V HN 0.568 nan 8.190 nan 0.000 0.478 956 I N 5.593 126.169 120.570 0.011 0.000 2.291 956 I HA 0.192 4.361 4.170 -0.002 0.000 0.290 956 I C 1.018 177.146 176.117 0.019 0.000 1.050 956 I CA -0.326 60.983 61.300 0.016 0.000 1.245 956 I CB 1.395 39.406 38.000 0.019 0.000 1.405 956 I HN 0.672 nan 8.210 nan 0.000 0.478 957 T N 2.503 117.069 114.554 0.019 0.000 2.946 957 T HA 0.067 4.416 4.350 -0.002 0.000 0.312 957 T C 0.069 174.787 174.700 0.031 0.000 1.066 957 T CA -0.500 61.614 62.100 0.023 0.000 1.138 957 T CB 0.476 69.357 68.868 0.023 0.000 1.014 957 T HN 0.477 nan 8.240 nan 0.000 0.544 958 E N 3.333 123.555 120.200 0.036 0.000 2.200 958 E HA 0.299 4.648 4.350 -0.002 0.000 0.283 958 E C -2.237 174.396 176.600 0.054 0.000 1.015 958 E CA -1.945 54.482 56.400 0.045 0.000 0.819 958 E CB 0.492 30.222 29.700 0.050 0.000 1.081 958 E HN 0.537 nan 8.360 nan 0.000 0.397 959 P HA 0.074 nan 4.420 nan 0.000 0.267 959 P C -0.550 176.800 177.300 0.083 0.000 1.209 959 P CA 0.192 63.331 63.100 0.066 0.000 0.763 959 P CB 0.705 32.444 31.700 0.065 0.000 0.816 960 R N 1.514 122.066 120.500 0.087 0.000 2.843 960 R HA 0.854 5.193 4.340 -0.002 0.000 0.232 960 R C -0.526 175.847 176.300 0.122 0.000 1.305 960 R CA -1.054 55.113 56.100 0.111 0.000 1.096 960 R CB 1.348 31.708 30.300 0.100 0.000 1.455 960 R HN 0.477 nan 8.270 nan 0.000 0.520 961 A N 1.590 124.502 122.820 0.153 0.000 2.355 961 A HA 0.388 4.706 4.320 -0.002 0.000 0.317 961 A C -1.250 176.440 177.584 0.176 0.000 1.094 961 A CA -0.886 51.247 52.037 0.160 0.000 0.764 961 A CB 1.008 20.115 19.000 0.179 0.000 1.230 961 A HN 0.776 nan 8.150 nan 0.000 0.448 962 N N 2.401 121.200 118.700 0.165 0.000 2.342 962 N HA 0.408 5.147 4.740 -0.002 0.000 0.293 962 N C -1.564 174.078 175.510 0.220 0.000 1.026 962 N CA -0.539 52.630 53.050 0.198 0.000 0.857 962 N CB 1.321 39.904 38.487 0.160 0.000 1.256 962 N HN 0.457 nan 8.380 nan 0.000 0.484 963 L N 2.191 123.594 121.223 0.300 0.000 2.282 963 L HA 0.285 4.623 4.340 -0.002 0.000 0.287 963 L C 0.430 177.469 176.870 0.281 0.000 1.075 963 L CA -0.545 54.431 54.840 0.227 0.000 0.839 963 L CB 0.294 42.459 42.059 0.176 0.000 1.219 963 L HN 0.349 nan 8.230 nan 0.000 0.434 964 K N 3.048 123.565 120.400 0.195 0.000 2.249 964 K HA 0.138 4.457 4.320 -0.002 0.000 0.280 964 K C -0.705 175.961 176.600 0.110 0.000 1.033 964 K CA -0.352 56.075 56.287 0.233 0.000 0.946 964 K CB 0.856 33.437 32.500 0.135 0.000 1.005 964 K HN 0.313 nan 8.250 nan 0.000 0.469 965 Y N 4.446 124.783 120.300 0.062 0.000 2.751 965 Y HA 0.193 4.742 4.550 -0.002 0.000 0.333 965 Y C -2.193 173.646 175.900 -0.102 0.000 1.122 965 Y CA -2.493 55.533 58.100 -0.124 0.000 1.367 965 Y CB 0.504 38.853 38.460 -0.185 0.000 1.242 965 Y HN 0.442 nan 8.280 nan 0.000 0.505 966 P HA 0.093 nan 4.420 nan 0.000 0.282 966 P C -0.681 176.737 177.300 0.197 0.000 1.262 966 P CA 0.003 63.123 63.100 0.033 0.000 0.773 966 P CB 0.511 32.222 31.700 0.019 0.000 0.879 967 F N 3.897 123.898 119.950 0.086 0.000 2.390 967 F HA 0.340 4.866 4.527 -0.002 0.000 0.307 967 F C -1.467 174.285 175.800 -0.080 0.000 1.227 967 F CA -2.513 55.497 58.000 0.017 0.000 1.179 967 F CB -1.278 37.719 39.000 -0.004 0.000 1.280 967 F HN 0.221 nan 8.300 nan 0.000 0.548 968 P HA 0.058 nan 4.420 nan 0.000 0.269 968 P C -0.928 176.399 177.300 0.045 0.000 1.209 968 P CA -0.181 62.848 63.100 -0.118 0.000 0.776 968 P CB 0.269 31.735 31.700 -0.391 0.000 0.876 969 E N 1.451 121.700 120.200 0.082 0.000 2.351 969 E HA 0.060 4.409 4.350 -0.002 0.000 0.266 969 E C -0.246 176.456 176.600 0.169 0.000 1.031 969 E CA -0.125 56.350 56.400 0.124 0.000 0.911 969 E CB -0.021 29.760 29.700 0.135 0.000 0.986 969 E HN 0.335 nan 8.360 nan 0.000 0.446 970 L N 6.301 127.621 121.223 0.162 0.000 2.410 970 L HA 0.229 4.568 4.340 -0.002 0.000 0.273 970 L C -1.889 175.127 176.870 0.243 0.000 1.144 970 L CA -1.952 53.010 54.840 0.204 0.000 0.863 970 L CB -0.350 41.771 42.059 0.103 0.000 1.140 970 L HN 0.288 nan 8.230 nan 0.000 0.463 971 P HA 0.009 nan 4.420 nan 0.000 0.270 971 P C -0.803 176.606 177.300 0.183 0.000 1.223 971 P CA -0.371 62.864 63.100 0.225 0.000 0.785 971 P CB 0.432 32.265 31.700 0.223 0.000 0.923 972 D N 0.585 121.054 120.400 0.114 0.000 2.348 972 D HA -0.039 4.600 4.640 -0.002 0.000 0.253 972 D C 0.976 177.308 176.300 0.053 0.000 1.161 972 D CA -0.294 53.774 54.000 0.113 0.000 0.876 972 D CB 0.241 41.088 40.800 0.078 0.000 1.160 972 D HN 0.419 nan 8.370 nan 0.000 0.459 973 W N 4.535 125.790 121.300 -0.074 0.000 2.317 973 W HA -0.232 4.426 4.660 -0.002 0.000 0.318 973 W C 0.619 177.071 176.519 -0.112 0.000 1.227 973 W CA 1.428 58.663 57.345 -0.182 0.000 1.269 973 W CB 0.130 29.532 29.460 -0.097 0.000 1.155 973 W HN 0.503 nan 8.180 nan 0.000 0.484 974 D N 0.172 120.534 120.400 -0.064 0.000 2.084 974 D HA -0.166 4.473 4.640 -0.002 0.000 0.199 974 D C 2.053 178.233 176.300 -0.201 0.000 0.981 974 D CA 1.428 55.330 54.000 -0.164 0.000 0.841 974 D CB -0.471 40.342 40.800 0.021 0.000 0.997 974 D HN 0.237 nan 8.370 nan 0.000 0.454 975 K N 0.293 120.630 120.400 -0.105 0.000 2.097 975 K HA -0.101 4.218 4.320 -0.002 0.000 0.206 975 K C 1.378 177.895 176.600 -0.140 0.000 1.049 975 K CA 1.009 57.238 56.287 -0.096 0.000 0.933 975 K CB 0.206 32.683 32.500 -0.037 0.000 0.717 975 K HN 0.139 nan 8.250 nan 0.000 0.442 976 D N -0.383 119.917 120.400 -0.167 0.000 2.525 976 D HA 0.108 4.746 4.640 -0.002 0.000 0.248 976 D C 1.954 178.083 176.300 -0.284 0.000 1.000 976 D CA 0.598 54.493 54.000 -0.175 0.000 0.923 976 D CB 0.388 41.133 40.800 -0.091 0.000 1.101 976 D HN 0.082 nan 8.370 nan 0.000 0.493 977 I N 0.721 121.045 120.570 -0.411 0.000 2.729 977 I HA -0.029 4.139 4.170 -0.002 0.000 0.256 977 I C 2.404 178.056 176.117 -0.775 0.000 1.115 977 I CA 0.171 61.141 61.300 -0.551 0.000 1.446 977 I CB -0.075 37.570 38.000 -0.591 0.000 1.176 977 I HN -0.170 nan 8.210 nan 0.000 0.446 978 K N 1.846 121.570 120.400 -1.127 0.000 2.071 978 K HA -0.217 4.101 4.320 -0.002 0.000 0.217 978 K C -0.723 175.590 176.600 -0.478 0.000 1.054 978 K CA 2.348 58.063 56.287 -0.953 0.000 0.937 978 K CB -1.026 31.006 32.500 -0.779 0.000 0.719 978 K HN 0.155 nan 8.250 nan 0.000 0.454 979 P HA -0.125 nan 4.420 nan 0.000 0.226 979 P C 0.338 177.511 177.300 -0.212 0.000 1.146 979 P CA 1.194 64.149 63.100 -0.240 0.000 0.773 979 P CB 0.087 31.661 31.700 -0.211 0.000 0.772 980 L N -3.118 117.949 121.223 -0.259 0.000 2.749 980 L HA 0.263 4.602 4.340 -0.002 0.000 0.242 980 L C 1.925 178.711 176.870 -0.140 0.000 1.103 980 L CA 0.185 54.907 54.840 -0.198 0.000 0.906 980 L CB -1.140 40.752 42.059 -0.278 0.000 1.228 980 L HN -0.205 nan 8.230 nan 0.000 0.517 981 N N 1.262 119.853 118.700 -0.182 0.000 2.182 981 N HA -0.257 4.481 4.740 -0.002 0.000 0.192 981 N C 1.359 176.862 175.510 -0.012 0.000 1.007 981 N CA 1.808 54.813 53.050 -0.075 0.000 0.873 981 N CB -0.038 38.397 38.487 -0.087 0.000 0.998 981 N HN 0.304 nan 8.380 nan 0.000 0.436 982 D N 0.184 120.561 120.400 -0.038 0.000 2.092 982 D HA -0.157 4.482 4.640 -0.002 0.000 0.193 982 D C 1.858 178.154 176.300 -0.007 0.000 0.994 982 D CA 1.226 55.217 54.000 -0.015 0.000 0.828 982 D CB -0.256 40.527 40.800 -0.029 0.000 0.963 982 D HN 0.558 nan 8.370 nan 0.000 0.450 983 Q N -0.496 119.297 119.800 -0.011 0.000 2.187 983 Q HA 0.058 4.397 4.340 -0.002 0.000 0.199 983 Q C 1.877 177.883 176.000 0.009 0.000 0.957 983 Q CA 0.489 56.291 55.803 -0.002 0.000 0.857 983 Q CB 0.226 28.967 28.738 0.004 0.000 0.929 983 Q HN 0.207 nan 8.270 nan 0.000 0.453 984 L N 0.036 121.274 121.223 0.025 0.000 2.607 984 L HA 0.150 4.489 4.340 -0.002 0.000 0.228 984 L C 0.676 177.582 176.870 0.061 0.000 1.123 984 L CA -0.069 54.801 54.840 0.051 0.000 0.890 984 L CB 0.283 42.402 42.059 0.099 0.000 1.103 984 L HN -0.030 nan 8.230 nan 0.000 0.468 985 R N 0.689 121.222 120.500 0.056 0.000 2.449 985 R HA 0.208 4.547 4.340 -0.002 0.000 0.296 985 R C 1.118 177.447 176.300 0.049 0.000 1.047 985 R CA 0.769 56.914 56.100 0.076 0.000 1.018 985 R CB 0.308 30.655 30.300 0.078 0.000 0.962 985 R HN 0.283 nan 8.270 nan 0.000 0.428 986 G N 4.639 113.474 108.800 0.059 0.000 2.337 986 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.290 986 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.290 986 G C 0.571 175.477 174.900 0.010 0.000 1.003 986 G CA 0.454 45.577 45.100 0.037 0.000 0.825 986 G HN 0.532 nan 8.290 nan 0.000 0.509 987 M N -0.555 119.042 119.600 -0.006 0.000 2.505 987 M HA 0.369 4.848 4.480 -0.002 0.000 0.230 987 M C 0.377 176.637 176.300 -0.068 0.000 1.153 987 M CA 0.230 55.511 55.300 -0.031 0.000 0.997 987 M CB 0.213 32.790 32.600 -0.037 0.000 1.606 987 M HN 0.062 nan 8.290 nan 0.000 0.481 988 V N 1.007 120.878 119.914 -0.070 0.000 2.752 988 V HA 0.237 4.355 4.120 -0.002 0.000 0.302 988 V C -0.726 175.346 176.094 -0.036 0.000 1.133 988 V CA -1.305 60.922 62.300 -0.120 0.000 0.919 988 V CB 2.688 34.312 31.823 -0.331 0.000 1.026 988 V HN 0.266 nan 8.190 nan 0.000 0.429 989 N N 5.155 123.841 118.700 -0.023 0.000 2.399 989 N HA 0.214 4.953 4.740 -0.002 0.000 0.259 989 N C 0.897 176.422 175.510 0.024 0.000 1.160 989 N CA -0.029 53.022 53.050 0.001 0.000 0.946 989 N CB 0.767 39.246 38.487 -0.013 0.000 1.156 989 N HN 0.687 nan 8.380 nan 0.000 0.489 990 L N 1.643 122.893 121.223 0.045 0.000 2.456 990 L HA -0.070 4.269 4.340 -0.002 0.000 0.224 990 L C 0.983 177.886 176.870 0.055 0.000 1.148 990 L CA 0.843 55.726 54.840 0.071 0.000 0.825 990 L CB -0.224 41.880 42.059 0.074 0.000 0.937 990 L HN 0.557 nan 8.230 nan 0.000 0.450 991 D N -0.062 120.355 120.400 0.029 0.000 2.339 991 D HA -0.048 4.591 4.640 -0.002 0.000 0.217 991 D C 1.209 177.506 176.300 -0.005 0.000 1.050 991 D CA 0.540 54.549 54.000 0.015 0.000 0.856 991 D CB 0.364 41.167 40.800 0.005 0.000 0.922 991 D HN 0.017 nan 8.370 nan 0.000 0.518 992 K N 0.031 120.431 120.400 -0.001 0.000 2.792 992 K HA 0.231 4.550 4.320 -0.002 0.000 0.207 992 K C -1.123 175.494 176.600 0.028 0.000 1.103 992 K CA -0.196 56.074 56.287 -0.029 0.000 1.048 992 K CB 2.128 34.591 32.500 -0.062 0.000 0.777 992 K HN -0.058 nan 8.250 nan 0.000 0.468 993 V N 1.845 121.811 119.914 0.087 0.000 2.417 993 V HA 0.282 4.401 4.120 -0.002 0.000 0.291 993 V C -0.211 175.978 176.094 0.158 0.000 1.024 993 V CA -0.830 61.588 62.300 0.197 0.000 0.861 993 V CB 1.962 33.960 31.823 0.293 0.000 0.985 993 V HN -0.107 nan 8.190 nan 0.000 0.436 994 V N 6.129 126.169 119.914 0.210 0.000 2.439 994 V HA 0.573 4.691 4.120 -0.002 0.000 0.282 994 V C -0.137 176.045 176.094 0.147 0.000 1.039 994 V CA -0.443 61.968 62.300 0.183 0.000 0.913 994 V CB 1.745 33.751 31.823 0.304 0.000 0.983 994 V HN 0.556 nan 8.190 nan 0.000 0.460 995 V N 4.879 124.853 119.914 0.099 0.000 2.760 995 V HA 0.420 4.539 4.120 -0.002 0.000 0.309 995 V C -0.479 175.660 176.094 0.075 0.000 1.077 995 V CA -0.597 61.738 62.300 0.057 0.000 0.910 995 V CB 2.741 34.580 31.823 0.026 0.000 1.008 995 V HN 0.635 nan 8.190 nan 0.000 0.424 996 V N 3.908 123.869 119.914 0.078 0.000 2.389 996 V HA 0.254 4.372 4.120 -0.002 0.000 0.264 996 V C 1.082 177.283 176.094 0.178 0.000 1.049 996 V CA 0.468 62.832 62.300 0.106 0.000 0.932 996 V CB 0.813 32.691 31.823 0.091 0.000 1.011 996 V HN 1.037 nan 8.190 nan 0.000 0.475 997 T N 3.111 117.767 114.554 0.170 0.000 2.990 997 T HA 0.316 4.664 4.350 -0.002 0.000 0.250 997 T C 0.712 175.565 174.700 0.255 0.000 1.041 997 T CA 0.691 62.927 62.100 0.226 0.000 1.010 997 T CB 0.046 68.996 68.868 0.137 0.000 1.003 997 T HN 0.806 nan 8.240 nan 0.000 0.499 998 G N 0.895 109.768 108.800 0.122 0.000 2.481 998 G HA2 0.678 4.637 3.960 -0.002 0.000 0.315 998 G HA3 0.678 4.637 3.960 -0.002 0.000 0.315 998 G C -1.977 172.855 174.900 -0.112 0.000 1.231 998 G CA -0.468 44.660 45.100 0.047 0.000 0.968 998 G HN 0.329 nan 8.290 nan 0.000 0.482 999 L N 0.464 121.596 121.223 -0.152 0.000 2.565 999 L HA 0.719 5.058 4.340 -0.002 0.000 0.261 999 L C -0.754 176.072 176.870 -0.072 0.000 0.932 999 L CA -0.520 54.188 54.840 -0.219 0.000 0.878 999 L CB 1.801 43.526 42.059 -0.558 0.000 1.333 999 L HN 1.049 nan 8.230 nan 0.000 0.409 1000 A N 3.821 126.633 122.820 -0.013 0.000 2.567 1000 A HA 0.735 5.054 4.320 -0.002 0.000 0.291 1000 A C -1.788 175.831 177.584 0.058 0.000 1.048 1000 A CA -0.486 51.573 52.037 0.038 0.000 0.661 1000 A CB 2.032 21.090 19.000 0.095 0.000 1.288 1000 A HN 0.732 nan 8.150 nan 0.000 0.424 1001 E N -0.321 119.902 120.200 0.038 0.000 2.401 1001 E HA 0.688 5.037 4.350 -0.002 0.000 0.280 1001 E C -1.854 174.725 176.600 -0.035 0.000 1.039 1001 E CA -0.844 55.575 56.400 0.031 0.000 0.814 1001 E CB 1.382 31.008 29.700 -0.124 0.000 1.275 1001 E HN 0.463 nan 8.360 nan 0.000 0.448 1002 I N 0.891 121.432 120.570 -0.050 0.000 2.478 1002 I HA 0.697 4.866 4.170 -0.002 0.000 0.287 1002 I C 0.078 176.042 176.117 -0.256 0.000 1.042 1002 I CA 0.046 61.201 61.300 -0.243 0.000 1.067 1002 I CB 1.936 39.674 38.000 -0.437 0.000 1.233 1002 I HN 0.778 nan 8.210 nan 0.000 0.431 1003 G N 5.040 113.609 108.800 -0.386 0.000 2.749 1003 G HA2 0.514 4.473 3.960 -0.002 0.000 0.300 1003 G HA3 0.514 4.473 3.960 -0.002 0.000 0.300 1003 G C -2.665 172.051 174.900 -0.307 0.000 1.352 1003 G CA -0.951 43.918 45.100 -0.385 0.000 0.789 1003 G HN 0.254 nan 8.290 nan 0.000 0.509 1004 P HA -0.005 nan 4.420 nan 0.000 0.223 1004 P C 0.485 177.472 177.300 -0.523 0.000 1.144 1004 P CA 1.098 63.999 63.100 -0.330 0.000 0.783 1004 P CB 0.169 31.692 31.700 -0.294 0.000 0.771 1005 W N -0.962 120.253 121.300 -0.140 0.000 3.127 1005 W HA 0.415 5.073 4.660 -0.002 0.000 0.344 1005 W C 1.084 177.605 176.519 0.002 0.000 1.151 1005 W CA 0.597 57.918 57.345 -0.040 0.000 1.765 1005 W CB 0.685 30.094 29.460 -0.085 0.000 1.085 1005 W HN -0.016 nan 8.180 nan 0.000 0.596 1006 G N 1.201 110.042 108.800 0.068 0.000 2.428 1006 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.202 1006 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.202 1006 G C -0.409 174.497 174.900 0.009 0.000 1.247 1006 G CA -0.587 44.558 45.100 0.076 0.000 1.020 1006 G HN 0.151 nan 8.290 nan 0.000 0.529 1007 N N 0.506 119.269 118.700 0.106 0.000 2.347 1007 N HA 0.587 5.325 4.740 -0.002 0.000 0.253 1007 N C 1.654 177.182 175.510 0.029 0.000 1.274 1007 N CA 0.897 53.992 53.050 0.076 0.000 0.941 1007 N CB 0.350 38.950 38.487 0.188 0.000 1.200 1007 N HN 1.633 nan 8.380 nan 0.000 0.514 1008 A N -0.184 122.635 122.820 -0.001 0.000 2.024 1008 A HA -0.208 4.111 4.320 -0.002 0.000 0.220 1008 A C 2.101 179.707 177.584 0.037 0.000 1.164 1008 A CA 1.258 53.278 52.037 -0.028 0.000 0.643 1008 A CB -0.624 18.341 19.000 -0.059 0.000 0.806 1008 A HN 0.696 nan 8.150 nan 0.000 0.451 1009 R N -0.654 119.877 120.500 0.052 0.000 2.061 1009 R HA -0.093 4.245 4.340 -0.002 0.000 0.230 1009 R C 2.567 178.954 176.300 0.145 0.000 1.140 1009 R CA 1.969 58.112 56.100 0.072 0.000 0.940 1009 R CB -1.140 29.172 30.300 0.019 0.000 0.839 1009 R HN 0.713 nan 8.270 nan 0.000 0.429 1010 T N -0.163 114.500 114.554 0.183 0.000 2.759 1010 T HA -0.153 4.195 4.350 -0.002 0.000 0.269 1010 T C 2.033 176.887 174.700 0.257 0.000 1.042 1010 T CA 0.884 63.179 62.100 0.326 0.000 1.140 1010 T CB -0.210 68.877 68.868 0.364 0.000 0.864 1010 T HN 0.064 nan 8.240 nan 0.000 0.455 1011 R N -0.019 120.571 120.500 0.150 0.000 2.096 1011 R HA -0.085 4.254 4.340 -0.002 0.000 0.235 1011 R C 2.235 178.503 176.300 -0.054 0.000 1.127 1011 R CA 1.548 57.666 56.100 0.029 0.000 0.968 1011 R CB -0.877 29.398 30.300 -0.042 0.000 0.861 1011 R HN 0.780 nan 8.270 nan 0.000 0.440 1012 W N 1.881 123.091 121.300 -0.151 0.000 2.379 1012 W HA -0.160 4.499 4.660 -0.002 0.000 0.307 1012 W C 1.449 177.825 176.519 -0.239 0.000 1.200 1012 W CA 1.151 58.393 57.345 -0.172 0.000 1.297 1012 W CB -0.148 29.230 29.460 -0.137 0.000 1.140 1012 W HN 0.162 nan 8.180 nan 0.000 0.507 1013 E N 0.417 120.431 120.200 -0.310 0.000 2.065 1013 E HA -0.348 4.001 4.350 -0.002 0.000 0.201 1013 E C 1.987 178.208 176.600 -0.631 0.000 1.016 1013 E CA 2.305 58.382 56.400 -0.539 0.000 0.818 1013 E CB -0.591 28.959 29.700 -0.250 0.000 0.749 1013 E HN 0.232 nan 8.360 nan 0.000 0.453 1014 M N 0.911 120.112 119.600 -0.664 0.000 2.132 1014 M HA -0.152 4.327 4.480 -0.002 0.000 0.263 1014 M C 2.011 177.930 176.300 -0.636 0.000 1.065 1014 M CA 1.636 56.437 55.300 -0.831 0.000 1.122 1014 M CB -0.064 31.807 32.600 -1.215 0.000 1.365 1014 M HN 0.001 nan 8.290 nan 0.000 0.411 1015 E N -0.933 118.921 120.200 -0.575 0.000 2.204 1015 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 1015 E C 1.489 177.821 176.600 -0.447 0.000 0.989 1015 E CA 1.169 57.307 56.400 -0.435 0.000 0.824 1015 E CB 0.045 29.554 29.700 -0.317 0.000 0.756 1015 E HN 0.578 nan 8.360 nan 0.000 0.477 1016 A N -0.287 122.114 122.820 -0.699 0.000 1.944 1016 A HA 0.045 4.364 4.320 -0.002 0.000 0.209 1016 A C 1.500 178.988 177.584 -0.161 0.000 1.328 1016 A CA 0.274 51.937 52.037 -0.624 0.000 0.693 1016 A CB -0.361 17.877 19.000 -1.271 0.000 0.994 1016 A HN 0.280 nan 8.150 nan 0.000 0.485 1017 Y N -0.692 119.321 120.300 -0.479 0.000 2.448 1017 Y HA 0.327 4.876 4.550 -0.002 0.000 0.289 1017 Y C 2.096 177.822 175.900 -0.291 0.000 1.114 1017 Y CA 0.133 58.042 58.100 -0.318 0.000 1.235 1017 Y CB -0.456 37.850 38.460 -0.256 0.000 1.045 1017 Y HN 0.514 nan 8.280 nan 0.000 0.554 1018 G N 0.318 108.996 108.800 -0.203 0.000 2.175 1018 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.244 1018 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.244 1018 G C 0.235 174.967 174.900 -0.280 0.000 0.982 1018 G CA 0.368 45.319 45.100 -0.250 0.000 0.641 1018 G HN 0.472 nan 8.290 nan 0.000 0.527 1019 K N -1.018 119.208 120.400 -0.291 0.000 2.578 1019 K HA 0.688 5.007 4.320 -0.002 0.000 0.287 1019 K C -1.090 175.321 176.600 -0.316 0.000 1.010 1019 K CA -1.279 54.834 56.287 -0.289 0.000 0.889 1019 K CB 0.830 33.279 32.500 -0.087 0.000 1.514 1019 K HN 0.038 nan 8.250 nan 0.000 0.424 1020 F N 1.614 121.555 119.950 -0.015 0.000 2.375 1020 F HA 0.232 4.757 4.527 -0.002 0.000 0.333 1020 F C 1.188 177.001 175.800 0.021 0.000 1.104 1020 F CA -0.104 57.894 58.000 -0.004 0.000 1.149 1020 F CB 1.701 40.726 39.000 0.042 0.000 1.190 1020 F HN 0.675 nan 8.300 nan 0.000 0.533 1021 S N 2.937 118.774 115.700 0.229 0.000 2.669 1021 S HA 0.203 4.672 4.470 -0.002 0.000 0.270 1021 S C 0.929 175.629 174.600 0.166 0.000 1.225 1021 S CA -0.921 57.376 58.200 0.162 0.000 0.991 1021 S CB 1.077 64.348 63.200 0.119 0.000 0.987 1021 S HN 0.702 nan 8.310 nan 0.000 0.552 1022 L N 0.574 121.878 121.223 0.135 0.000 2.079 1022 L HA -0.102 4.237 4.340 -0.002 0.000 0.210 1022 L C 2.222 179.164 176.870 0.121 0.000 1.081 1022 L CA 2.115 57.030 54.840 0.125 0.000 0.752 1022 L CB -1.576 40.557 42.059 0.122 0.000 0.896 1022 L HN 0.802 nan 8.230 nan 0.000 0.433 1023 E N -0.358 119.917 120.200 0.125 0.000 2.051 1023 E HA -0.128 4.221 4.350 -0.002 0.000 0.192 1023 E C 2.079 178.739 176.600 0.100 0.000 0.991 1023 E CA 1.234 57.707 56.400 0.122 0.000 0.799 1023 E CB -0.745 29.023 29.700 0.113 0.000 0.748 1023 E HN 0.549 nan 8.360 nan 0.000 0.449 1024 G N 0.325 109.196 108.800 0.118 0.000 2.514 1024 G HA2 -0.344 3.614 3.960 -0.002 0.000 0.217 1024 G HA3 -0.344 3.614 3.960 -0.002 0.000 0.217 1024 G C 1.835 176.683 174.900 -0.086 0.000 1.198 1024 G CA 1.231 46.401 45.100 0.115 0.000 0.780 1024 G HN 0.377 nan 8.290 nan 0.000 0.565 1025 C N -0.278 118.988 119.300 -0.056 0.000 2.385 1025 C HA -0.079 4.380 4.460 -0.002 0.000 0.275 1025 C C 3.120 178.043 174.990 -0.111 0.000 1.207 1025 C CA 0.928 59.873 59.018 -0.123 0.000 1.760 1025 C CB -1.109 26.646 27.740 0.025 0.000 2.051 1025 C HN 0.293 nan 8.230 nan 0.000 0.467 1026 V N 0.553 120.441 119.914 -0.044 0.000 2.332 1026 V HA -0.241 3.877 4.120 -0.002 0.000 0.248 1026 V C 2.442 178.480 176.094 -0.093 0.000 1.055 1026 V CA 2.030 64.271 62.300 -0.097 0.000 1.038 1026 V CB -0.699 31.147 31.823 0.038 0.000 0.651 1026 V HN 0.611 nan 8.190 nan 0.000 0.450 1027 E N -0.682 119.512 120.200 -0.010 0.000 2.031 1027 E HA -0.231 4.118 4.350 -0.002 0.000 0.193 1027 E C 2.352 178.999 176.600 0.078 0.000 0.994 1027 E CA 1.497 57.931 56.400 0.057 0.000 0.800 1027 E CB -0.212 29.544 29.700 0.092 0.000 0.752 1027 E HN 0.394 nan 8.360 nan 0.000 0.447 1028 M N 0.407 119.964 119.600 -0.071 0.000 2.073 1028 M HA -0.173 4.306 4.480 -0.002 0.000 0.258 1028 M C 2.546 178.778 176.300 -0.115 0.000 1.070 1028 M CA 1.489 56.723 55.300 -0.109 0.000 1.103 1028 M CB -1.342 31.054 32.600 -0.341 0.000 1.321 1028 M HN 0.097 nan 8.290 nan 0.000 0.405 1029 A N -1.063 121.634 122.820 -0.204 0.000 1.986 1029 A HA -0.241 4.077 4.320 -0.002 0.000 0.220 1029 A C 2.050 179.418 177.584 -0.360 0.000 1.171 1029 A CA 1.838 53.660 52.037 -0.358 0.000 0.640 1029 A CB -1.268 17.450 19.000 -0.470 0.000 0.811 1029 A HN 0.740 nan 8.150 nan 0.000 0.451 1030 W N 0.952 121.991 121.300 -0.434 0.000 2.408 1030 W HA -0.166 4.492 4.660 -0.002 0.000 0.311 1030 W C 2.337 178.665 176.519 -0.319 0.000 1.190 1030 W CA 1.997 59.090 57.345 -0.420 0.000 1.321 1030 W CB -0.251 28.999 29.460 -0.349 0.000 1.143 1030 W HN 0.424 nan 8.180 nan 0.000 0.501 1031 M N -0.692 118.846 119.600 -0.103 0.000 2.319 1031 M HA 0.003 4.482 4.480 -0.002 0.000 0.265 1031 M C 1.738 177.849 176.300 -0.315 0.000 1.068 1031 M CA 1.672 56.761 55.300 -0.351 0.000 1.118 1031 M CB -0.721 32.043 32.600 0.273 0.000 1.395 1031 M HN 0.024 nan 8.290 nan 0.000 0.435 1032 M N 0.889 120.368 119.600 -0.201 0.000 2.619 1032 M HA 0.165 4.644 4.480 -0.002 0.000 0.251 1032 M C 0.955 177.080 176.300 -0.291 0.000 1.106 1032 M CA 1.057 56.261 55.300 -0.160 0.000 1.086 1032 M CB 0.089 32.631 32.600 -0.096 0.000 1.465 1032 M HN 0.757 nan 8.290 nan 0.000 0.506 1033 G N 0.590 109.132 108.800 -0.430 0.000 2.137 1033 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.237 1033 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.237 1033 G C 0.462 175.114 174.900 -0.415 0.000 1.002 1033 G CA -0.045 44.788 45.100 -0.445 0.000 0.702 1033 G HN 0.471 nan 8.290 nan 0.000 0.515 1034 L N -0.389 120.532 121.223 -0.503 0.000 2.375 1034 L HA 0.424 4.763 4.340 -0.002 0.000 0.215 1034 L C 1.536 178.054 176.870 -0.586 0.000 1.108 1034 L CA 0.874 55.345 54.840 -0.614 0.000 0.830 1034 L CB -0.164 41.333 42.059 -0.937 0.000 0.959 1034 L HN 0.601 nan 8.230 nan 0.000 0.457 1035 I N -1.606 118.645 120.570 -0.531 0.000 2.802 1035 I HA 0.532 4.701 4.170 -0.002 0.000 0.298 1035 I C -1.216 174.761 176.117 -0.233 0.000 1.176 1035 I CA -0.823 60.251 61.300 -0.377 0.000 1.025 1035 I CB 2.377 40.039 38.000 -0.562 0.000 1.243 1035 I HN -0.046 nan 8.210 nan 0.000 0.424 1036 K N 2.859 123.286 120.400 0.045 0.000 2.508 1036 K HA 0.418 4.737 4.320 -0.002 0.000 0.260 1036 K C -1.391 175.513 176.600 0.506 0.000 0.949 1036 K CA -0.823 55.606 56.287 0.237 0.000 0.834 1036 K CB 2.032 34.572 32.500 0.066 0.000 1.365 1036 K HN 0.687 nan 8.250 nan 0.000 0.437 1037 N N 1.644 120.661 118.700 0.528 0.000 2.479 1037 N HA -0.023 4.716 4.740 -0.002 0.000 0.257 1037 N C -1.142 174.512 175.510 0.241 0.000 1.232 1037 N CA 0.252 53.472 53.050 0.284 0.000 0.920 1037 N CB 0.530 39.040 38.487 0.039 0.000 1.105 1037 N HN 0.651 nan 8.380 nan 0.000 0.444 1038 H N 2.446 121.569 119.070 0.088 0.000 2.806 1038 H HA 0.223 4.778 4.556 -0.002 0.000 0.367 1038 H C -1.308 174.019 175.328 -0.002 0.000 1.136 1038 H CA -0.492 55.608 56.048 0.088 0.000 1.178 1038 H CB 1.125 31.009 29.762 0.203 0.000 1.718 1038 H HN 0.729 nan 8.280 nan 0.000 0.540 1039 N N 3.340 121.723 118.700 -0.529 0.000 2.711 1039 N HA 0.320 5.059 4.740 -0.002 0.000 0.263 1039 N C -1.046 174.244 175.510 -0.366 0.000 1.667 1039 N CA -0.183 52.662 53.050 -0.341 0.000 0.785 1039 N CB 0.683 39.039 38.487 -0.218 0.000 1.231 1039 N HN 0.791 nan 8.380 nan 0.000 0.503 1040 G N 0.935 109.518 108.800 -0.362 0.000 2.561 1040 G HA2 0.352 4.311 3.960 -0.002 0.000 0.310 1040 G HA3 0.352 4.311 3.960 -0.002 0.000 0.310 1040 G C -3.264 171.761 174.900 0.208 0.000 1.292 1040 G CA -0.636 44.404 45.100 -0.101 0.000 0.811 1040 G HN -0.024 nan 8.290 nan 0.000 0.482 1041 P HA 0.359 nan 4.420 nan 0.000 0.271 1041 P C -0.514 176.924 177.300 0.230 0.000 1.226 1041 P CA -0.026 63.184 63.100 0.183 0.000 0.765 1041 P CB 0.744 32.505 31.700 0.102 0.000 0.835 1042 L N 5.275 126.595 121.223 0.161 0.000 2.295 1042 L HA 0.262 4.600 4.340 -0.002 0.000 0.281 1042 L C 0.307 177.171 176.870 -0.010 0.000 1.018 1042 L CA -0.649 54.198 54.840 0.012 0.000 0.841 1042 L CB 0.681 42.679 42.059 -0.102 0.000 1.218 1042 L HN 0.473 nan 8.230 nan 0.000 0.424 1043 K N 3.195 123.587 120.400 -0.012 0.000 3.244 1043 K HA -0.225 4.094 4.320 -0.002 0.000 0.270 1043 K C 0.905 177.509 176.600 0.007 0.000 1.016 1043 K CA 0.748 57.028 56.287 -0.012 0.000 0.754 1043 K CB -1.401 31.079 32.500 -0.033 0.000 1.326 1043 K HN 1.149 nan 8.250 nan 0.000 0.465 1044 G N -0.286 108.527 108.800 0.023 0.000 3.444 1044 G HA2 -0.399 3.560 3.960 -0.002 0.000 0.222 1044 G HA3 -0.399 3.560 3.960 -0.002 0.000 0.222 1044 G C 0.056 174.980 174.900 0.039 0.000 1.358 1044 G CA 0.668 45.784 45.100 0.028 0.000 0.880 1044 G HN 0.380 nan 8.290 nan 0.000 0.555 1045 K N 2.406 122.830 120.400 0.040 0.000 2.270 1045 K HA 0.482 4.801 4.320 -0.002 0.000 0.276 1045 K C -2.439 174.216 176.600 0.093 0.000 1.023 1045 K CA -1.408 54.912 56.287 0.055 0.000 0.955 1045 K CB 0.959 33.487 32.500 0.046 0.000 0.975 1045 K HN 0.217 nan 8.250 nan 0.000 0.471 1046 P HA 0.103 nan 4.420 nan 0.000 0.274 1046 P C -1.464 175.971 177.300 0.224 0.000 1.246 1046 P CA -0.227 62.952 63.100 0.132 0.000 0.795 1046 P CB 0.341 32.085 31.700 0.073 0.000 1.006 1047 Y N -0.500 119.848 120.300 0.080 0.000 2.620 1047 Y HA 0.460 5.009 4.550 -0.002 0.000 0.331 1047 Y C -1.662 174.299 175.900 0.102 0.000 1.173 1047 Y CA -0.437 57.718 58.100 0.091 0.000 1.076 1047 Y CB 1.305 39.833 38.460 0.112 0.000 1.336 1047 Y HN 0.511 nan 8.280 nan 0.000 0.459 1048 S N 3.520 118.683 115.700 -0.895 0.000 2.548 1048 S HA 0.974 5.442 4.470 -0.002 0.000 0.276 1048 S C -0.441 173.591 174.600 -0.948 0.000 1.129 1048 S CA 0.111 57.906 58.200 -0.675 0.000 0.931 1048 S CB 1.630 64.614 63.200 -0.360 0.000 1.068 1048 S HN 2.151 nan 8.310 nan 0.000 0.480 1049 G N 1.793 110.281 108.800 -0.520 0.000 2.270 1049 G HA2 0.038 3.996 3.960 -0.002 0.000 0.268 1049 G HA3 0.038 3.996 3.960 -0.002 0.000 0.268 1049 G C -1.484 173.433 174.900 0.028 0.000 1.312 1049 G CA -0.834 44.037 45.100 -0.382 0.000 1.050 1049 G HN 0.831 nan 8.290 nan 0.000 0.474 1050 W N -0.036 121.373 121.300 0.182 0.000 2.253 1050 W HA 0.507 5.166 4.660 -0.002 0.000 0.322 1050 W C 0.303 176.971 176.519 0.249 0.000 1.342 1050 W CA -0.629 56.832 57.345 0.194 0.000 1.218 1050 W CB 1.258 30.812 29.460 0.156 0.000 1.205 1050 W HN 0.301 nan 8.180 nan 0.000 0.551 1051 V N 3.378 123.587 119.914 0.492 0.000 2.709 1051 V HA 0.033 4.152 4.120 -0.002 0.000 0.308 1051 V C -0.358 175.821 176.094 0.141 0.000 1.062 1051 V CA -0.890 61.561 62.300 0.252 0.000 0.901 1051 V CB 1.922 33.857 31.823 0.185 0.000 1.003 1051 V HN 0.367 nan 8.190 nan 0.000 0.425 1052 D N 3.160 123.617 120.400 0.095 0.000 2.472 1052 D HA 0.205 4.844 4.640 -0.002 0.000 0.248 1052 D C 1.050 177.345 176.300 -0.009 0.000 1.174 1052 D CA 0.773 54.814 54.000 0.067 0.000 0.883 1052 D CB 1.823 42.681 40.800 0.097 0.000 1.149 1052 D HN 0.660 nan 8.370 nan 0.000 0.488 1053 A N 4.946 127.718 122.820 -0.081 0.000 1.933 1053 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 1053 A C 2.012 179.550 177.584 -0.078 0.000 1.175 1053 A CA 1.397 53.374 52.037 -0.099 0.000 0.628 1053 A CB -0.226 18.666 19.000 -0.180 0.000 0.814 1053 A HN 0.655 nan 8.150 nan 0.000 0.444 1054 K N -1.145 119.213 120.400 -0.070 0.000 1.980 1054 K HA -0.030 4.288 4.320 -0.002 0.000 0.208 1054 K C 0.958 177.536 176.600 -0.037 0.000 1.043 1054 K CA 1.288 57.542 56.287 -0.054 0.000 0.938 1054 K CB -0.291 32.182 32.500 -0.045 0.000 0.724 1054 K HN 0.364 nan 8.250 nan 0.000 0.438 1055 T N -0.789 113.750 114.554 -0.025 0.000 2.845 1055 T HA 0.226 4.574 4.350 -0.002 0.000 0.288 1055 T C 1.143 175.818 174.700 -0.041 0.000 0.980 1055 T CA -0.435 61.646 62.100 -0.031 0.000 1.071 1055 T CB 1.470 70.322 68.868 -0.027 0.000 0.941 1055 T HN 0.366 nan 8.240 nan 0.000 0.487 1056 G N 3.536 112.302 108.800 -0.057 0.000 2.537 1056 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.220 1056 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.220 1056 G C 0.590 175.419 174.900 -0.118 0.000 1.111 1056 G CA 0.325 45.372 45.100 -0.088 0.000 0.748 1056 G HN 0.729 nan 8.290 nan 0.000 0.564 1057 E N 0.962 121.107 120.200 -0.091 0.000 2.459 1057 E HA 0.090 4.439 4.350 -0.002 0.000 0.264 1057 E C -2.202 174.332 176.600 -0.110 0.000 1.055 1057 E CA -1.349 54.985 56.400 -0.109 0.000 0.957 1057 E CB 0.189 29.847 29.700 -0.070 0.000 0.952 1057 E HN 0.146 nan 8.360 nan 0.000 0.448 1058 P HA 0.218 nan 4.420 nan 0.000 0.279 1058 P C -0.735 176.570 177.300 0.008 0.000 1.252 1058 P CA -0.418 62.576 63.100 -0.177 0.000 0.811 1058 P CB 0.859 32.203 31.700 -0.592 0.000 1.035 1059 V N 1.791 121.805 119.914 0.166 0.000 2.709 1059 V HA 0.308 4.427 4.120 -0.002 0.000 0.308 1059 V C -0.513 175.744 176.094 0.271 0.000 1.062 1059 V CA -0.589 61.828 62.300 0.195 0.000 0.901 1059 V CB 2.213 34.179 31.823 0.238 0.000 1.003 1059 V HN 0.459 nan 8.190 nan 0.000 0.425 1060 D N 2.389 122.907 120.400 0.196 0.000 2.210 1060 D HA 0.255 4.893 4.640 -0.002 0.000 0.249 1060 D C 0.417 176.848 176.300 0.217 0.000 1.062 1060 D CA -0.258 53.865 54.000 0.205 0.000 0.891 1060 D CB 2.099 42.979 40.800 0.134 0.000 1.186 1060 D HN 0.571 nan 8.370 nan 0.000 0.432 1061 D N 1.047 121.602 120.400 0.259 0.000 2.149 1061 D HA -0.236 4.403 4.640 -0.002 0.000 0.194 1061 D C 1.935 178.333 176.300 0.164 0.000 1.001 1061 D CA 1.637 55.788 54.000 0.251 0.000 0.849 1061 D CB 0.062 41.009 40.800 0.246 0.000 0.939 1061 D HN 0.538 nan 8.370 nan 0.000 0.449 1062 K N 0.304 120.782 120.400 0.130 0.000 2.209 1062 K HA -0.135 4.184 4.320 -0.002 0.000 0.204 1062 K C 0.983 177.628 176.600 0.075 0.000 1.048 1062 K CA 1.451 57.794 56.287 0.094 0.000 0.940 1062 K CB 0.021 32.567 32.500 0.077 0.000 0.729 1062 K HN 0.072 nan 8.250 nan 0.000 0.451 1063 D N 1.183 121.626 120.400 0.071 0.000 2.213 1063 D HA -0.050 4.589 4.640 -0.002 0.000 0.205 1063 D C 2.129 178.433 176.300 0.007 0.000 0.961 1063 D CA 0.611 54.626 54.000 0.025 0.000 0.853 1063 D CB -0.191 40.614 40.800 0.009 0.000 0.967 1063 D HN 0.018 nan 8.370 nan 0.000 0.496 1064 V N 1.642 121.604 119.914 0.079 0.000 2.242 1064 V HA -0.378 3.740 4.120 -0.002 0.000 0.257 1064 V C 2.533 178.690 176.094 0.104 0.000 1.073 1064 V CA 2.244 64.634 62.300 0.150 0.000 1.058 1064 V CB -0.467 31.449 31.823 0.156 0.000 0.664 1064 V HN 0.170 nan 8.190 nan 0.000 0.451 1065 K N -0.725 119.729 120.400 0.089 0.000 2.074 1065 K HA -0.223 4.095 4.320 -0.002 0.000 0.209 1065 K C 2.121 178.751 176.600 0.050 0.000 1.048 1065 K CA 1.770 58.110 56.287 0.088 0.000 0.926 1065 K CB -0.385 32.168 32.500 0.089 0.000 0.713 1065 K HN 0.532 nan 8.250 nan 0.000 0.444 1066 A N 0.759 123.581 122.820 0.002 0.000 1.872 1066 A HA -0.117 4.201 4.320 -0.002 0.000 0.214 1066 A C 1.937 179.463 177.584 -0.097 0.000 1.187 1066 A CA 1.332 53.353 52.037 -0.026 0.000 0.614 1066 A CB -0.312 18.670 19.000 -0.029 0.000 0.826 1066 A HN 0.189 nan 8.150 nan 0.000 0.442 1067 K N -1.821 118.430 120.400 -0.249 0.000 2.057 1067 K HA -0.138 4.180 4.320 -0.002 0.000 0.207 1067 K C 1.358 177.675 176.600 -0.472 0.000 1.049 1067 K CA 1.797 57.772 56.287 -0.519 0.000 0.931 1067 K CB -0.175 31.691 32.500 -1.056 0.000 0.714 1067 K HN 0.678 nan 8.250 nan 0.000 0.440 1068 Y N -0.620 119.686 120.300 0.010 0.000 2.467 1068 Y HA 0.139 4.688 4.550 -0.002 0.000 0.259 1068 Y C 1.919 177.871 175.900 0.087 0.000 1.084 1068 Y CA -0.351 57.756 58.100 0.011 0.000 1.275 1068 Y CB -0.052 38.364 38.460 -0.072 0.000 1.208 1068 Y HN 0.051 nan 8.280 nan 0.000 0.511 1069 E N 1.638 121.959 120.200 0.201 0.000 2.049 1069 E HA -0.329 4.019 4.350 -0.002 0.000 0.198 1069 E C 2.104 178.838 176.600 0.222 0.000 1.007 1069 E CA 1.977 58.498 56.400 0.202 0.000 0.809 1069 E CB 0.037 29.838 29.700 0.168 0.000 0.749 1069 E HN 0.396 nan 8.360 nan 0.000 0.450 1070 K N -0.311 120.199 120.400 0.183 0.000 2.020 1070 K HA -0.269 4.050 4.320 -0.002 0.000 0.212 1070 K C 2.170 178.890 176.600 0.200 0.000 1.050 1070 K CA 1.916 58.299 56.287 0.160 0.000 0.929 1070 K CB -0.534 32.037 32.500 0.120 0.000 0.714 1070 K HN 0.268 nan 8.250 nan 0.000 0.443 1071 Y N 1.225 121.605 120.300 0.133 0.000 2.089 1071 Y HA -0.227 4.322 4.550 -0.002 0.000 0.282 1071 Y C 1.946 177.958 175.900 0.187 0.000 1.139 1071 Y CA 2.119 60.331 58.100 0.186 0.000 1.123 1071 Y CB -0.129 38.462 38.460 0.218 0.000 0.980 1071 Y HN 0.036 nan 8.280 nan 0.000 0.493 1072 I N 0.375 121.273 120.570 0.547 0.000 2.185 1072 I HA -0.396 3.772 4.170 -0.002 0.000 0.246 1072 I C 2.242 178.526 176.117 0.277 0.000 1.088 1072 I CA 1.695 63.224 61.300 0.382 0.000 1.347 1072 I CB -0.661 37.459 38.000 0.201 0.000 1.041 1072 I HN 0.385 nan 8.210 nan 0.000 0.415 1073 L N -0.021 121.365 121.223 0.273 0.000 2.109 1073 L HA -0.153 4.185 4.340 -0.002 0.000 0.207 1073 L C 2.567 179.491 176.870 0.090 0.000 1.086 1073 L CA 1.144 56.153 54.840 0.281 0.000 0.760 1073 L CB -0.603 41.627 42.059 0.286 0.000 0.910 1073 L HN 0.306 nan 8.230 nan 0.000 0.437 1074 E N -0.343 119.836 120.200 -0.035 0.000 2.152 1074 E HA -0.168 4.181 4.350 -0.002 0.000 0.192 1074 E C 1.190 177.524 176.600 -0.443 0.000 0.983 1074 E CA 0.734 56.979 56.400 -0.259 0.000 0.818 1074 E CB 0.254 29.719 29.700 -0.391 0.000 0.758 1074 E HN 0.549 nan 8.360 nan 0.000 0.467 1075 H N -0.202 118.750 119.070 -0.198 0.000 2.507 1075 H HA 0.211 4.766 4.556 -0.002 0.000 0.294 1075 H C -0.164 175.087 175.328 -0.129 0.000 1.064 1075 H CA 0.259 56.189 56.048 -0.197 0.000 1.138 1075 H CB 0.383 29.958 29.762 -0.312 0.000 1.515 1075 H HN 0.039 nan 8.280 nan 0.000 0.547 1076 S N -1.359 114.264 115.700 -0.128 0.000 2.651 1076 S HA 0.725 5.194 4.470 -0.002 0.000 0.279 1076 S C 0.421 174.574 174.600 -0.745 0.000 1.148 1076 S CA -0.323 57.656 58.200 -0.370 0.000 0.837 1076 S CB 3.231 66.227 63.200 -0.340 0.000 1.138 1076 S HN 0.487 nan 8.310 nan 0.000 0.478 1077 G N 0.349 108.456 108.800 -1.156 0.000 2.627 1077 G HA2 -0.073 3.885 3.960 -0.002 0.000 0.214 1077 G HA3 -0.073 3.885 3.960 -0.002 0.000 0.214 1077 G C -0.772 173.869 174.900 -0.433 0.000 1.331 1077 G CA -0.528 43.852 45.100 -1.200 0.000 0.891 1077 G HN 1.116 nan 8.290 nan 0.000 0.539 1078 I N 2.404 122.877 120.570 -0.161 0.000 2.505 1078 I HA 0.359 4.528 4.170 -0.002 0.000 0.287 1078 I C 1.210 177.284 176.117 -0.073 0.000 1.104 1078 I CA 0.387 61.643 61.300 -0.074 0.000 1.387 1078 I CB -0.023 37.983 38.000 0.012 0.000 1.404 1078 I HN 0.693 nan 8.210 nan 0.000 0.528 1079 R N 5.300 125.750 120.500 -0.083 0.000 2.795 1079 R HA 0.608 4.946 4.340 -0.002 0.000 0.268 1079 R C -1.246 175.039 176.300 -0.024 0.000 1.041 1079 R CA -1.189 54.880 56.100 -0.052 0.000 0.927 1079 R CB 1.041 31.294 30.300 -0.077 0.000 1.235 1079 R HN 0.263 nan 8.270 nan 0.000 0.463 1080 L N 1.919 123.149 121.223 0.011 0.000 2.490 1080 L HA 0.143 4.482 4.340 -0.002 0.000 0.274 1080 L C 0.503 177.393 176.870 0.033 0.000 1.201 1080 L CA -0.054 54.806 54.840 0.032 0.000 0.869 1080 L CB 0.208 42.288 42.059 0.034 0.000 1.123 1080 L HN 0.421 nan 8.230 nan 0.000 0.484 1081 I N 3.555 124.143 120.570 0.030 0.000 2.683 1081 I HA -0.048 4.121 4.170 -0.002 0.000 0.286 1081 I C 0.374 176.586 176.117 0.159 0.000 1.175 1081 I CA 0.415 61.765 61.300 0.084 0.000 1.429 1081 I CB 0.068 38.101 38.000 0.055 0.000 1.371 1081 I HN 0.613 nan 8.210 nan 0.000 0.569 1082 E N 8.197 128.575 120.200 0.297 0.000 2.073 1082 E HA 0.213 4.562 4.350 -0.002 0.000 0.269 1082 E C -1.911 174.915 176.600 0.377 0.000 0.917 1082 E CA -1.705 54.848 56.400 0.256 0.000 0.757 1082 E CB 1.371 31.186 29.700 0.193 0.000 1.111 1082 E HN 0.380 nan 8.360 nan 0.000 0.410 1083 P HA -0.217 nan 4.420 nan 0.000 0.216 1083 P C 0.616 178.078 177.300 0.270 0.000 1.150 1083 P CA 1.232 64.516 63.100 0.306 0.000 0.837 1083 P CB 0.320 32.115 31.700 0.157 0.000 0.786 1084 E N -0.217 120.080 120.200 0.162 0.000 2.160 1084 E HA -0.142 4.207 4.350 -0.002 0.000 0.195 1084 E C 1.729 178.358 176.600 0.048 0.000 0.991 1084 E CA 0.906 57.360 56.400 0.090 0.000 0.810 1084 E CB -1.265 28.464 29.700 0.049 0.000 0.742 1084 E HN 0.281 nan 8.360 nan 0.000 0.466 1085 L N -0.598 120.633 121.223 0.013 0.000 2.622 1085 L HA 0.054 4.393 4.340 -0.002 0.000 0.233 1085 L C 0.251 176.749 176.870 -0.621 0.000 1.156 1085 L CA 0.388 55.053 54.840 -0.292 0.000 0.866 1085 L CB 0.002 41.812 42.059 -0.415 0.000 0.980 1085 L HN 0.097 nan 8.230 nan 0.000 0.448 1086 F N -1.136 118.925 119.950 0.186 0.000 2.608 1086 F HA 0.320 4.846 4.527 -0.002 0.000 0.383 1086 F C 1.300 177.198 175.800 0.163 0.000 1.371 1086 F CA -0.541 57.582 58.000 0.204 0.000 1.123 1086 F CB 0.365 39.555 39.000 0.316 0.000 1.207 1086 F HN -0.065 nan 8.300 nan 0.000 0.512 1087 G N 0.668 109.593 108.800 0.208 0.000 2.379 1087 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.297 1087 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.297 1087 G C 1.260 176.264 174.900 0.173 0.000 1.004 1087 G CA 0.710 45.900 45.100 0.150 0.000 0.921 1087 G HN 1.490 nan 8.290 nan 0.000 0.511 1088 G N -2.056 106.869 108.800 0.209 0.000 2.176 1088 G HA2 -0.127 3.831 3.960 -0.002 0.000 0.232 1088 G HA3 -0.127 3.831 3.960 -0.002 0.000 0.232 1088 G C 0.488 175.519 174.900 0.218 0.000 0.986 1088 G CA 0.426 45.631 45.100 0.175 0.000 0.643 1088 G HN 1.990 nan 8.290 nan 0.000 0.522 1089 Y N 2.384 122.783 120.300 0.165 0.000 2.810 1089 Y HA 0.413 4.962 4.550 -0.002 0.000 0.332 1089 Y C -0.065 175.911 175.900 0.127 0.000 1.243 1089 Y CA 0.264 58.440 58.100 0.126 0.000 1.537 1089 Y CB 0.729 39.256 38.460 0.111 0.000 1.265 1089 Y HN 0.185 nan 8.280 nan 0.000 0.572 1090 D N 8.095 128.229 120.400 -0.443 0.000 2.616 1090 D HA 0.263 4.902 4.640 -0.002 0.000 0.238 1090 D C -2.471 173.503 176.300 -0.542 0.000 1.354 1090 D CA -2.058 51.682 54.000 -0.434 0.000 0.970 1090 D CB 2.125 42.842 40.800 -0.139 0.000 1.369 1090 D HN 0.251 nan 8.370 nan 0.000 0.585 1091 P HA -0.048 nan 4.420 nan 0.000 0.223 1091 P C 0.862 178.175 177.300 0.022 0.000 1.144 1091 P CA 0.662 63.661 63.100 -0.170 0.000 0.783 1091 P CB 0.364 32.045 31.700 -0.032 0.000 0.771 1092 N N -0.230 118.434 118.700 -0.059 0.000 2.463 1092 N HA -0.014 4.725 4.740 -0.002 0.000 0.181 1092 N C 0.496 176.006 175.510 0.000 0.000 1.078 1092 N CA 0.510 53.552 53.050 -0.014 0.000 0.902 1092 N CB 0.092 38.554 38.487 -0.043 0.000 0.970 1092 N HN 0.333 nan 8.380 nan 0.000 0.451 1093 R N -0.009 120.484 120.500 -0.013 0.000 2.718 1093 R HA 0.289 4.627 4.340 -0.002 0.000 0.266 1093 R C -0.953 175.358 176.300 0.019 0.000 1.776 1093 R CA -0.684 55.420 56.100 0.006 0.000 1.567 1093 R CB 0.193 30.491 30.300 -0.003 0.000 1.336 1093 R HN -0.262 nan 8.270 nan 0.000 0.619 1094 K N 2.362 122.792 120.400 0.049 0.000 2.315 1094 K HA 0.017 4.335 4.320 -0.002 0.000 0.291 1094 K C -0.235 176.358 176.600 -0.012 0.000 1.074 1094 K CA -0.063 56.251 56.287 0.046 0.000 0.936 1094 K CB 0.781 33.300 32.500 0.032 0.000 1.049 1094 K HN 0.510 nan 8.250 nan 0.000 0.471 1095 Q N 5.149 124.945 119.800 -0.007 0.000 2.289 1095 Q HA 0.139 4.478 4.340 -0.002 0.000 0.273 1095 Q C -0.805 175.153 176.000 -0.070 0.000 1.029 1095 Q CA -0.051 55.737 55.803 -0.025 0.000 0.896 1095 Q CB 0.506 29.241 28.738 -0.005 0.000 1.182 1095 Q HN 0.618 nan 8.270 nan 0.000 0.385 1096 L N 3.545 124.731 121.223 -0.061 0.000 2.267 1096 L HA 0.625 4.963 4.340 -0.002 0.000 0.264 1096 L C -0.537 176.313 176.870 -0.035 0.000 1.021 1096 L CA -1.322 53.476 54.840 -0.070 0.000 0.861 1096 L CB 1.453 43.467 42.059 -0.075 0.000 1.443 1096 L HN 0.635 nan 8.230 nan 0.000 0.475 1097 L N 0.836 122.044 121.223 -0.025 0.000 2.408 1097 L HA 0.487 4.826 4.340 -0.002 0.000 0.268 1097 L C -0.833 176.037 176.870 0.000 0.000 0.986 1097 L CA -0.424 54.413 54.840 -0.005 0.000 0.820 1097 L CB 2.304 44.371 42.059 0.013 0.000 1.303 1097 L HN 0.550 nan 8.230 nan 0.000 0.411 1098 Q N 2.169 121.972 119.800 0.005 0.000 2.333 1098 Q HA 0.303 4.642 4.340 -0.002 0.000 0.267 1098 Q C -0.971 175.039 176.000 0.018 0.000 1.012 1098 Q CA -0.675 55.133 55.803 0.010 0.000 0.824 1098 Q CB 2.115 30.856 28.738 0.006 0.000 1.290 1098 Q HN 0.505 nan 8.270 nan 0.000 0.449 1099 E N 2.048 122.262 120.200 0.024 0.000 2.299 1099 E HA 0.169 4.517 4.350 -0.002 0.000 0.272 1099 E C -0.962 175.654 176.600 0.027 0.000 1.043 1099 E CA -0.069 56.351 56.400 0.032 0.000 0.895 1099 E CB 1.102 30.824 29.700 0.036 0.000 1.011 1099 E HN 0.292 nan 8.360 nan 0.000 0.432 1100 V N 3.695 123.627 119.914 0.029 0.000 2.628 1100 V HA 0.221 4.339 4.120 -0.002 0.000 0.306 1100 V C -0.029 176.083 176.094 0.030 0.000 1.045 1100 V CA -0.933 61.381 62.300 0.024 0.000 0.905 1100 V CB 2.020 33.853 31.823 0.016 0.000 0.997 1100 V HN 0.369 nan 8.190 nan 0.000 0.436 1101 V N 5.568 125.498 119.914 0.026 0.000 2.348 1101 V HA 0.354 4.473 4.120 -0.002 0.000 0.270 1101 V C 0.310 176.415 176.094 0.019 0.000 1.037 1101 V CA -0.347 61.971 62.300 0.028 0.000 0.872 1101 V CB 0.976 32.816 31.823 0.028 0.000 1.002 1101 V HN 0.657 nan 8.190 nan 0.000 0.464 1102 I N 4.302 124.881 120.570 0.015 0.000 2.845 1102 I HA 0.000 4.169 4.170 -0.002 0.000 0.296 1102 I C 0.908 177.028 176.117 0.006 0.000 1.216 1102 I CA 0.691 61.994 61.300 0.005 0.000 1.438 1102 I CB 0.225 38.221 38.000 -0.006 0.000 1.342 1102 I HN 0.670 nan 8.210 nan 0.000 0.577 1103 E N 6.546 126.748 120.200 0.004 0.000 3.105 1103 E HA 0.160 4.508 4.350 -0.002 0.000 0.219 1103 E C -0.666 175.936 176.600 0.002 0.000 1.064 1103 E CA -0.241 56.161 56.400 0.005 0.000 1.342 1103 E CB 0.423 30.127 29.700 0.006 0.000 1.295 1103 E HN 0.594 nan 8.360 nan 0.000 0.438 1104 Q N -0.874 118.925 119.800 -0.001 0.000 2.900 1104 Q HA 0.230 4.568 4.340 -0.002 0.000 0.297 1104 Q C -1.654 174.342 176.000 -0.007 0.000 0.889 1104 Q CA -0.953 54.848 55.803 -0.003 0.000 0.777 1104 Q CB 0.514 29.250 28.738 -0.004 0.000 1.518 1104 Q HN -0.165 nan 8.270 nan 0.000 0.430 1105 D N 1.447 121.843 120.400 -0.008 0.000 2.304 1105 D HA 0.537 5.176 4.640 -0.002 0.000 0.247 1105 D C -0.277 176.016 176.300 -0.012 0.000 1.089 1105 D CA -0.133 53.860 54.000 -0.013 0.000 0.910 1105 D CB 1.006 41.801 40.800 -0.008 0.000 1.199 1105 D HN 0.511 nan 8.370 nan 0.000 0.426 1106 L N -1.252 119.963 121.223 -0.014 0.000 2.319 1106 L HA 0.707 5.045 4.340 -0.002 0.000 0.267 1106 L C 0.110 176.986 176.870 0.009 0.000 1.011 1106 L CA -1.122 53.716 54.840 -0.003 0.000 0.818 1106 L CB 1.331 43.389 42.059 -0.002 0.000 1.316 1106 L HN -0.008 nan 8.230 nan 0.000 0.432 1107 E N 1.408 121.620 120.200 0.019 0.000 2.418 1107 E HA 0.254 4.603 4.350 -0.002 0.000 0.261 1107 E C -2.302 174.332 176.600 0.056 0.000 1.070 1107 E CA -1.015 55.400 56.400 0.024 0.000 0.931 1107 E CB 0.393 30.106 29.700 0.022 0.000 0.954 1107 E HN 0.525 nan 8.360 nan 0.000 0.439 1108 P HA 0.075 nan 4.420 nan 0.000 0.268 1108 P C -1.135 176.202 177.300 0.062 0.000 1.205 1108 P CA 0.345 63.420 63.100 -0.041 0.000 0.771 1108 P CB 0.211 31.886 31.700 -0.042 0.000 0.858 1109 F N -1.030 118.883 119.950 -0.061 0.000 2.579 1109 F HA 0.607 5.133 4.527 -0.002 0.000 0.324 1109 F C 0.134 175.927 175.800 -0.012 0.000 1.058 1109 F CA -1.403 56.571 58.000 -0.042 0.000 0.944 1109 F CB 1.208 40.169 39.000 -0.064 0.000 1.245 1109 F HN 0.154 nan 8.300 nan 0.000 0.477 1110 E N 0.918 121.218 120.200 0.168 0.000 2.349 1110 E HA 0.656 5.004 4.350 -0.002 0.000 0.262 1110 E C -0.710 176.008 176.600 0.198 0.000 1.088 1110 E CA -0.685 55.782 56.400 0.111 0.000 0.899 1110 E CB 1.545 31.307 29.700 0.103 0.000 1.044 1110 E HN 0.881 nan 8.360 nan 0.000 0.420 1111 A N 0.999 123.918 122.820 0.165 0.000 2.601 1111 A HA 0.406 4.725 4.320 -0.002 0.000 0.291 1111 A C -0.631 177.053 177.584 0.166 0.000 1.075 1111 A CA -0.757 51.406 52.037 0.210 0.000 0.671 1111 A CB 1.082 20.239 19.000 0.262 0.000 1.277 1111 A HN 0.588 nan 8.150 nan 0.000 0.417 1112 S N 0.445 116.221 115.700 0.127 0.000 2.593 1112 S HA 0.247 4.715 4.470 -0.002 0.000 0.269 1112 S C 1.075 175.674 174.600 -0.001 0.000 1.334 1112 S CA 0.437 58.683 58.200 0.077 0.000 1.015 1112 S CB 0.996 64.222 63.200 0.042 0.000 0.912 1112 S HN 0.961 nan 8.310 nan 0.000 0.541 1113 K N 1.066 121.441 120.400 -0.042 0.000 2.044 1113 K HA -0.208 4.111 4.320 -0.002 0.000 0.210 1113 K C 1.968 178.365 176.600 -0.338 0.000 1.049 1113 K CA 1.922 57.985 56.287 -0.374 0.000 0.927 1113 K CB -0.278 32.102 32.500 -0.200 0.000 0.713 1113 K HN 0.784 nan 8.250 nan 0.000 0.443 1114 E N 0.378 120.483 120.200 -0.159 0.000 2.058 1114 E HA -0.245 4.104 4.350 -0.002 0.000 0.194 1114 E C 2.269 178.795 176.600 -0.123 0.000 0.997 1114 E CA 1.514 57.837 56.400 -0.128 0.000 0.801 1114 E CB -0.047 29.606 29.700 -0.078 0.000 0.746 1114 E HN 0.465 nan 8.360 nan 0.000 0.450 1115 Q N 0.049 119.804 119.800 -0.075 0.000 2.050 1115 Q HA -0.160 4.179 4.340 -0.002 0.000 0.202 1115 Q C 2.238 178.257 176.000 0.031 0.000 0.980 1115 Q CA 1.274 57.043 55.803 -0.056 0.000 0.840 1115 Q CB -0.204 28.581 28.738 0.079 0.000 0.898 1115 Q HN 0.224 nan 8.270 nan 0.000 0.424 1116 A N 1.574 124.424 122.820 0.052 0.000 1.873 1116 A HA -0.300 4.018 4.320 -0.002 0.000 0.218 1116 A C 1.866 179.458 177.584 0.015 0.000 1.193 1116 A CA 1.948 54.027 52.037 0.069 0.000 0.629 1116 A CB -0.664 18.215 19.000 -0.202 0.000 0.826 1116 A HN 0.401 nan 8.150 nan 0.000 0.447 1117 E N -0.464 119.653 120.200 -0.138 0.000 2.058 1117 E HA -0.247 4.102 4.350 -0.002 0.000 0.194 1117 E C 2.031 178.594 176.600 -0.061 0.000 0.997 1117 E CA 1.444 57.777 56.400 -0.112 0.000 0.801 1117 E CB -0.315 29.298 29.700 -0.146 0.000 0.746 1117 E HN 0.760 nan 8.360 nan 0.000 0.450 1118 E N 0.276 120.411 120.200 -0.109 0.000 2.065 1118 E HA -0.217 4.132 4.350 -0.002 0.000 0.201 1118 E C 1.931 178.462 176.600 -0.115 0.000 1.016 1118 E CA 1.425 57.726 56.400 -0.166 0.000 0.818 1118 E CB -0.300 29.225 29.700 -0.291 0.000 0.749 1118 E HN 0.236 nan 8.360 nan 0.000 0.453 1119 F N 0.780 120.743 119.950 0.021 0.000 2.095 1119 F HA -0.220 4.306 4.527 -0.002 0.000 0.298 1119 F C 2.555 178.424 175.800 0.115 0.000 1.104 1119 F CA 1.218 59.284 58.000 0.111 0.000 1.232 1119 F CB -0.058 39.006 39.000 0.106 0.000 0.987 1119 F HN -0.097 nan 8.300 nan 0.000 0.475 1120 K N 0.594 121.129 120.400 0.225 0.000 2.148 1120 K HA -0.158 4.161 4.320 -0.002 0.000 0.204 1120 K C 2.134 178.778 176.600 0.074 0.000 1.050 1120 K CA 0.973 57.330 56.287 0.116 0.000 0.942 1120 K CB -0.155 32.360 32.500 0.024 0.000 0.724 1120 K HN 0.009 nan 8.250 nan 0.000 0.446 1121 R N 0.285 120.805 120.500 0.034 0.000 2.073 1121 R HA -0.186 4.153 4.340 -0.002 0.000 0.234 1121 R C 2.005 178.294 176.300 -0.018 0.000 1.134 1121 R CA 2.033 58.129 56.100 -0.006 0.000 0.952 1121 R CB -0.173 30.105 30.300 -0.036 0.000 0.850 1121 R HN 0.215 nan 8.270 nan 0.000 0.433 1122 E N -0.798 119.379 120.200 -0.038 0.000 2.112 1122 E HA -0.151 4.198 4.350 -0.002 0.000 0.190 1122 E C 1.463 177.944 176.600 -0.199 0.000 0.979 1122 E CA 1.453 57.761 56.400 -0.154 0.000 0.814 1122 E CB 0.079 29.626 29.700 -0.254 0.000 0.762 1122 E HN 0.483 nan 8.360 nan 0.000 0.460 1123 H N -1.165 117.941 119.070 0.060 0.000 2.506 1123 H HA 0.247 4.802 4.556 -0.002 0.000 0.289 1123 H C 1.522 176.866 175.328 0.027 0.000 1.009 1123 H CA 0.814 56.893 56.048 0.052 0.000 1.303 1123 H CB 0.314 30.118 29.762 0.070 0.000 1.453 1123 H HN 0.289 nan 8.280 nan 0.000 0.526 1124 G N 2.258 111.135 108.800 0.128 0.000 2.620 1124 G HA2 -0.437 3.522 3.960 -0.002 0.000 0.315 1124 G HA3 -0.437 3.522 3.960 -0.002 0.000 0.315 1124 G C 1.026 175.957 174.900 0.053 0.000 1.179 1124 G CA 0.884 46.021 45.100 0.063 0.000 0.971 1124 G HN 0.373 nan 8.290 nan 0.000 0.544 1125 D N 0.827 121.254 120.400 0.045 0.000 2.170 1125 D HA -0.080 4.559 4.640 -0.002 0.000 0.193 1125 D C 2.183 178.502 176.300 0.033 0.000 1.004 1125 D CA 1.767 55.788 54.000 0.034 0.000 0.860 1125 D CB -0.140 40.681 40.800 0.034 0.000 0.931 1125 D HN 0.395 nan 8.370 nan 0.000 0.448 1126 K N -0.485 119.948 120.400 0.056 0.000 2.520 1126 K HA 0.239 4.558 4.320 -0.002 0.000 0.205 1126 K C -0.678 175.913 176.600 -0.015 0.000 1.035 1126 K CA -0.097 56.210 56.287 0.033 0.000 1.188 1126 K CB 0.903 33.442 32.500 0.065 0.000 0.894 1126 K HN -0.096 nan 8.250 nan 0.000 0.497 1127 V N 0.276 120.187 119.914 -0.006 0.000 3.012 1127 V HA 0.288 4.406 4.120 -0.002 0.000 0.307 1127 V C -1.069 174.971 176.094 -0.091 0.000 1.166 1127 V CA -1.034 61.226 62.300 -0.067 0.000 0.974 1127 V CB 2.581 34.375 31.823 -0.048 0.000 1.040 1127 V HN 0.084 nan 8.190 nan 0.000 0.428 1128 E N 4.338 124.452 120.200 -0.142 0.000 2.176 1128 E HA 0.684 5.033 4.350 -0.002 0.000 0.267 1128 E C -1.155 175.216 176.600 -0.382 0.000 0.893 1128 E CA -0.514 55.729 56.400 -0.261 0.000 0.761 1128 E CB 2.465 32.127 29.700 -0.064 0.000 1.133 1128 E HN 0.667 nan 8.360 nan 0.000 0.409 1129 I N -0.587 119.641 120.570 -0.571 0.000 2.608 1129 I HA 0.652 4.821 4.170 -0.002 0.000 0.295 1129 I C -1.074 174.666 176.117 -0.629 0.000 1.049 1129 I CA -0.985 60.083 61.300 -0.387 0.000 1.063 1129 I CB 1.165 39.131 38.000 -0.056 0.000 1.248 1129 I HN 0.282 nan 8.210 nan 0.000 0.424 1130 F N 1.593 121.565 119.950 0.037 0.000 2.599 1130 F HA 0.470 4.995 4.527 -0.002 0.000 0.311 1130 F C 0.326 175.784 175.800 -0.569 0.000 1.076 1130 F CA -0.754 57.152 58.000 -0.157 0.000 0.937 1130 F CB 1.709 40.632 39.000 -0.127 0.000 1.282 1130 F HN 0.508 nan 8.300 nan 0.000 0.460 1131 E N 1.480 121.296 120.200 -0.640 0.000 2.404 1131 E HA 0.233 4.581 4.350 -0.002 0.000 0.261 1131 E C -0.684 175.702 176.600 -0.357 0.000 1.074 1131 E CA -0.013 55.853 56.400 -0.889 0.000 0.917 1131 E CB 0.938 30.322 29.700 -0.527 0.000 0.965 1131 E HN 0.421 nan 8.360 nan 0.000 0.433 1132 I N 4.534 124.945 120.570 -0.266 0.000 2.291 1132 I HA 0.084 4.253 4.170 -0.002 0.000 0.290 1132 I C -1.697 174.363 176.117 -0.095 0.000 1.050 1132 I CA -1.928 59.300 61.300 -0.119 0.000 1.245 1132 I CB 1.083 39.048 38.000 -0.058 0.000 1.405 1132 I HN 0.281 nan 8.210 nan 0.000 0.478 1133 P HA -0.161 nan 4.420 nan 0.000 0.223 1133 P C 0.698 177.977 177.300 -0.035 0.000 1.144 1133 P CA 1.314 64.378 63.100 -0.059 0.000 0.783 1133 P CB 0.225 31.894 31.700 -0.051 0.000 0.771 1134 E N -1.432 118.749 120.200 -0.031 0.000 2.140 1134 E HA -0.003 4.346 4.350 -0.002 0.000 0.191 1134 E C 0.971 177.568 176.600 -0.004 0.000 0.973 1134 E CA 1.361 57.751 56.400 -0.016 0.000 0.829 1134 E CB -0.290 29.401 29.700 -0.016 0.000 0.781 1134 E HN 0.285 nan 8.360 nan 0.000 0.466 1135 T N -2.968 111.586 114.554 -0.001 0.000 3.231 1135 T HA 0.389 4.737 4.350 -0.002 0.000 0.292 1135 T C 1.348 176.068 174.700 0.033 0.000 1.001 1135 T CA -0.028 62.082 62.100 0.016 0.000 0.920 1135 T CB 0.839 69.720 68.868 0.021 0.000 1.140 1135 T HN 0.245 nan 8.240 nan 0.000 0.525 1136 G N 1.695 110.511 108.800 0.027 0.000 2.200 1136 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.268 1136 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.268 1136 G C 0.283 175.268 174.900 0.143 0.000 0.986 1136 G CA 0.486 45.627 45.100 0.068 0.000 0.677 1136 G HN 0.593 nan 8.290 nan 0.000 0.532 1137 Q N -1.229 118.633 119.800 0.103 0.000 2.397 1137 Q HA 0.682 5.021 4.340 -0.002 0.000 0.193 1137 Q C 0.036 176.156 176.000 0.201 0.000 1.083 1137 Q CA -0.026 55.882 55.803 0.175 0.000 1.108 1137 Q CB 0.535 29.335 28.738 0.103 0.000 1.172 1137 Q HN 0.485 nan 8.270 nan 0.000 0.617 1138 Y N -1.345 118.966 120.300 0.019 0.000 2.705 1138 Y HA 0.400 4.949 4.550 -0.002 0.000 0.332 1138 Y C -0.210 175.671 175.900 -0.033 0.000 1.157 1138 Y CA -0.753 57.349 58.100 0.004 0.000 1.091 1138 Y CB 2.354 40.809 38.460 -0.008 0.000 1.301 1138 Y HN 0.559 nan 8.280 nan 0.000 0.488 1139 T N -0.840 113.770 114.554 0.094 0.000 2.921 1139 T HA 0.697 5.046 4.350 -0.002 0.000 0.297 1139 T C -1.705 172.882 174.700 -0.189 0.000 1.013 1139 T CA -0.737 61.329 62.100 -0.055 0.000 0.990 1139 T CB 0.883 69.756 68.868 0.009 0.000 1.023 1139 T HN 0.337 nan 8.240 nan 0.000 0.447 1140 V N 3.606 123.197 119.914 -0.538 0.000 2.378 1140 V HA 0.642 4.761 4.120 -0.002 0.000 0.288 1140 V C 0.166 175.858 176.094 -0.670 0.000 1.016 1140 V CA -0.914 60.936 62.300 -0.749 0.000 0.840 1140 V CB 1.261 32.286 31.823 -1.329 0.000 0.994 1140 V HN 1.012 nan 8.190 nan 0.000 0.431 1141 R N 4.451 124.748 120.500 -0.339 0.000 2.409 1141 R HA 0.642 4.980 4.340 -0.002 0.000 0.313 1141 R C -1.516 174.682 176.300 -0.170 0.000 0.953 1141 R CA -0.762 55.223 56.100 -0.192 0.000 0.849 1141 R CB 1.235 31.491 30.300 -0.072 0.000 1.171 1141 R HN 0.602 nan 8.270 nan 0.000 0.458 1142 L N 4.140 125.273 121.223 -0.150 0.000 2.371 1142 L HA 0.414 4.753 4.340 -0.002 0.000 0.272 1142 L C 0.899 177.713 176.870 -0.093 0.000 1.124 1142 L CA 0.111 54.852 54.840 -0.166 0.000 0.816 1142 L CB 0.733 42.673 42.059 -0.198 0.000 1.129 1142 L HN 0.497 nan 8.230 nan 0.000 0.448 1143 R N 1.241 121.695 120.500 -0.077 0.000 2.700 1143 R HA 0.362 4.701 4.340 -0.002 0.000 0.253 1143 R C -0.211 176.075 176.300 -0.023 0.000 1.091 1143 R CA -1.189 54.891 56.100 -0.034 0.000 1.104 1143 R CB 0.850 31.140 30.300 -0.015 0.000 1.202 1143 R HN 0.474 nan 8.270 nan 0.000 0.532 1144 K N 0.222 120.617 120.400 -0.008 0.000 2.484 1144 K HA -0.013 4.306 4.320 -0.002 0.000 0.280 1144 K C 0.568 177.172 176.600 0.008 0.000 1.013 1144 K CA 1.338 57.625 56.287 -0.001 0.000 1.029 1144 K CB 0.136 32.638 32.500 0.003 0.000 0.902 1144 K HN 0.775 nan 8.250 nan 0.000 0.481 1145 G N 1.977 110.785 108.800 0.013 0.000 2.259 1145 G HA2 -0.251 3.707 3.960 -0.002 0.000 0.217 1145 G HA3 -0.251 3.707 3.960 -0.002 0.000 0.217 1145 G C 0.203 175.128 174.900 0.042 0.000 1.001 1145 G CA -0.040 45.076 45.100 0.026 0.000 0.627 1145 G HN 0.973 nan 8.290 nan 0.000 0.501 1146 A N 0.266 123.103 122.820 0.028 0.000 2.492 1146 A HA 0.567 4.885 4.320 -0.002 0.000 0.236 1146 A C 0.655 178.284 177.584 0.075 0.000 1.078 1146 A CA 1.659 53.721 52.037 0.042 0.000 0.773 1146 A CB 0.158 19.105 19.000 -0.087 0.000 1.023 1146 A HN 0.978 nan 8.150 nan 0.000 0.504 1147 T N 1.914 116.566 114.554 0.163 0.000 2.807 1147 T HA 0.590 4.939 4.350 -0.002 0.000 0.279 1147 T C -0.294 174.499 174.700 0.154 0.000 0.993 1147 T CA -0.221 61.964 62.100 0.141 0.000 0.970 1147 T CB 0.728 69.676 68.868 0.133 0.000 0.950 1147 T HN 0.469 nan 8.240 nan 0.000 0.441 1148 L N 2.602 123.877 121.223 0.086 0.000 2.301 1148 L HA 0.662 5.001 4.340 -0.002 0.000 0.264 1148 L C -1.007 175.894 176.870 0.052 0.000 1.016 1148 L CA -1.284 53.596 54.840 0.066 0.000 0.821 1148 L CB 1.954 44.029 42.059 0.027 0.000 1.346 1148 L HN 0.413 nan 8.230 nan 0.000 0.429 1149 L N 2.853 124.099 121.223 0.037 0.000 2.343 1149 L HA 0.524 4.863 4.340 -0.002 0.000 0.278 1149 L C -0.864 176.010 176.870 0.007 0.000 0.996 1149 L CA -0.308 54.547 54.840 0.025 0.000 0.831 1149 L CB 1.850 43.924 42.059 0.025 0.000 1.232 1149 L HN 0.402 nan 8.230 nan 0.000 0.413 1150 I N 4.605 125.178 120.570 0.006 0.000 2.354 1150 I HA 0.375 4.544 4.170 -0.002 0.000 0.292 1150 I C -2.181 173.934 176.117 -0.004 0.000 0.989 1150 I CA -2.176 59.122 61.300 -0.003 0.000 1.188 1150 I CB 1.810 39.808 38.000 -0.003 0.000 1.342 1150 I HN 0.251 nan 8.210 nan 0.000 0.457 1151 P HA 0.087 nan 4.420 nan 0.000 0.266 1151 P C -1.111 176.185 177.300 -0.008 0.000 1.195 1151 P CA -0.016 63.078 63.100 -0.010 0.000 0.768 1151 P CB 0.457 32.150 31.700 -0.011 0.000 0.838 1152 K N 0.800 121.194 120.400 -0.009 0.000 2.499 1152 K HA 0.916 5.235 4.320 -0.002 0.000 0.277 1152 K C -1.683 174.913 176.600 -0.007 0.000 1.025 1152 K CA -1.270 55.014 56.287 -0.006 0.000 0.900 1152 K CB 1.889 34.387 32.500 -0.004 0.000 1.494 1152 K HN 0.294 nan 8.250 nan 0.000 0.442 1153 A N 1.120 123.940 122.820 0.000 0.000 2.454 1153 A HA 0.765 5.084 4.320 -0.002 0.000 0.302 1153 A C -1.381 176.214 177.584 0.019 0.000 1.079 1153 A CA -0.937 51.104 52.037 0.005 0.000 0.731 1153 A CB 1.373 20.377 19.000 0.007 0.000 1.299 1153 A HN 0.579 nan 8.150 nan 0.000 0.413 1154 L N 0.350 121.594 121.223 0.035 0.000 2.333 1154 L HA 0.483 4.821 4.340 -0.002 0.000 0.263 1154 L C -0.362 176.566 176.870 0.098 0.000 1.014 1154 L CA -0.604 54.277 54.840 0.067 0.000 0.820 1154 L CB 2.397 44.509 42.059 0.089 0.000 1.352 1154 L HN 0.838 nan 8.230 nan 0.000 0.421 1155 Q N 1.686 121.551 119.800 0.109 0.000 2.465 1155 Q HA 0.305 4.644 4.340 -0.002 0.000 0.237 1155 Q C -1.079 175.048 176.000 0.211 0.000 1.051 1155 Q CA -0.441 55.434 55.803 0.119 0.000 0.874 1155 Q CB 1.184 29.957 28.738 0.059 0.000 1.207 1155 Q HN 0.244 nan 8.270 nan 0.000 0.508 1156 F N 2.301 122.284 119.950 0.054 0.000 2.382 1156 F HA 0.144 4.670 4.527 -0.003 0.000 0.331 1156 F C 0.761 176.587 175.800 0.042 0.000 1.121 1156 F CA -0.731 57.316 58.000 0.079 0.000 1.183 1156 F CB 1.079 40.177 39.000 0.163 0.000 1.207 1156 F HN 0.501 nan 8.300 nan 0.000 0.555 1157 D N 2.476 122.675 120.400 -0.336 0.000 2.305 1157 D HA -0.022 4.617 4.640 -0.002 0.000 0.206 1157 D C 0.499 176.548 176.300 -0.419 0.000 0.974 1157 D CA 0.567 54.387 54.000 -0.299 0.000 0.871 1157 D CB 0.061 40.736 40.800 -0.208 0.000 0.947 1157 D HN 0.274 nan 8.370 nan 0.000 0.516 1158 R N 1.494 121.486 120.500 -0.847 0.000 3.266 1158 R HA 0.222 4.561 4.340 -0.002 0.000 0.224 1158 R C 0.755 176.922 176.300 -0.221 0.000 1.525 1158 R CA -0.129 55.669 56.100 -0.504 0.000 1.364 1158 R CB -0.218 29.748 30.300 -0.556 0.000 1.276 1158 R HN 0.142 nan 8.270 nan 0.000 0.660 1159 L N 0.374 121.538 121.223 -0.099 0.000 2.446 1159 L HA 0.054 4.393 4.340 -0.002 0.000 0.219 1159 L C 0.608 177.486 176.870 0.015 0.000 1.116 1159 L CA 0.679 55.513 54.840 -0.011 0.000 0.844 1159 L CB 0.162 42.250 42.059 0.047 0.000 0.970 1159 L HN 0.034 nan 8.230 nan 0.000 0.457 1160 V N -0.895 119.011 119.914 -0.014 0.000 2.628 1160 V HA 0.895 5.013 4.120 -0.002 0.000 0.306 1160 V C -0.156 175.852 176.094 -0.143 0.000 1.045 1160 V CA -0.786 61.485 62.300 -0.048 0.000 0.905 1160 V CB 1.428 33.224 31.823 -0.047 0.000 0.997 1160 V HN 0.023 nan 8.190 nan 0.000 0.436 1161 A N 2.167 124.856 122.820 -0.217 0.000 2.589 1161 A HA 0.808 5.127 4.320 -0.002 0.000 0.296 1161 A C -0.121 177.312 177.584 -0.252 0.000 1.062 1161 A CA -0.134 51.681 52.037 -0.370 0.000 0.686 1161 A CB 1.613 20.013 19.000 -1.000 0.000 1.282 1161 A HN 1.320 nan 8.150 nan 0.000 0.404 1162 G N 0.804 109.504 108.800 -0.167 0.000 2.365 1162 G HA2 0.509 4.467 3.960 -0.002 0.000 0.293 1162 G HA3 0.509 4.467 3.960 -0.002 0.000 0.293 1162 G C -0.369 174.488 174.900 -0.072 0.000 1.128 1162 G CA -0.076 44.971 45.100 -0.088 0.000 0.971 1162 G HN 0.730 nan 8.290 nan 0.000 0.422 1163 Q N 1.741 121.489 119.800 -0.086 0.000 2.365 1163 Q HA 0.427 4.766 4.340 -0.002 0.000 0.269 1163 Q C -0.472 175.470 176.000 -0.098 0.000 1.061 1163 Q CA -1.066 54.727 55.803 -0.017 0.000 0.816 1163 Q CB 2.534 31.330 28.738 0.096 0.000 1.325 1163 Q HN 0.467 nan 8.270 nan 0.000 0.446 1164 I N 3.309 123.810 120.570 -0.114 0.000 2.919 1164 I HA -0.068 4.101 4.170 -0.002 0.000 0.303 1164 I C -2.074 173.986 176.117 -0.096 0.000 1.221 1164 I CA -0.797 60.387 61.300 -0.193 0.000 1.444 1164 I CB -0.184 37.629 38.000 -0.311 0.000 1.331 1164 I HN 0.414 nan 8.210 nan 0.000 0.572 1165 P HA -0.083 nan 4.420 nan 0.000 0.261 1165 P C -0.572 176.773 177.300 0.075 0.000 1.165 1165 P CA 0.300 63.398 63.100 -0.004 0.000 0.759 1165 P CB 0.011 31.736 31.700 0.041 0.000 0.772 1166 T N 3.413 118.016 114.554 0.081 0.000 2.891 1166 T HA 0.327 4.676 4.350 -0.002 0.000 0.258 1166 T C 1.347 176.087 174.700 0.067 0.000 0.942 1166 T CA 1.062 63.203 62.100 0.069 0.000 1.200 1166 T CB -0.846 68.044 68.868 0.037 0.000 0.922 1166 T HN 0.750 nan 8.240 nan 0.000 0.585 1167 G N 2.604 111.438 108.800 0.056 0.000 3.246 1167 G HA2 -0.138 3.820 3.960 -0.002 0.000 0.218 1167 G HA3 -0.138 3.820 3.960 -0.002 0.000 0.218 1167 G C -0.025 174.873 174.900 -0.004 0.000 0.978 1167 G CA -0.997 44.095 45.100 -0.012 0.000 0.825 1167 G HN 0.623 nan 8.290 nan 0.000 0.546 1168 W N 2.541 123.794 121.300 -0.079 0.000 2.257 1168 W HA 0.510 5.169 4.660 -0.002 0.000 0.337 1168 W C -0.458 176.035 176.519 -0.045 0.000 1.321 1168 W CA 1.198 58.511 57.345 -0.054 0.000 1.267 1168 W CB 0.794 30.274 29.460 0.033 0.000 1.187 1168 W HN 0.093 nan 8.180 nan 0.000 0.565 1169 D N 3.501 123.427 120.400 -0.791 0.000 2.964 1169 D HA 0.337 4.976 4.640 -0.002 0.000 0.234 1169 D C 0.523 176.184 176.300 -1.065 0.000 1.223 1169 D CA -0.111 53.464 54.000 -0.708 0.000 0.889 1169 D CB 1.901 42.452 40.800 -0.415 0.000 1.609 1169 D HN 0.415 nan 8.370 nan 0.000 0.523 1170 A N 3.586 125.894 122.820 -0.852 0.000 2.234 1170 A HA -0.130 4.188 4.320 -0.002 0.000 0.216 1170 A C 1.868 179.263 177.584 -0.316 0.000 1.167 1170 A CA 1.118 52.854 52.037 -0.502 0.000 0.698 1170 A CB -0.251 18.605 19.000 -0.240 0.000 0.779 1170 A HN 0.591 nan 8.150 nan 0.000 0.475 1171 R N -0.890 119.398 120.500 -0.353 0.000 2.161 1171 R HA 0.056 4.394 4.340 -0.002 0.000 0.213 1171 R C 2.156 178.285 176.300 -0.285 0.000 1.055 1171 R CA 0.550 56.492 56.100 -0.264 0.000 0.996 1171 R CB -0.099 30.060 30.300 -0.236 0.000 0.901 1171 R HN 0.487 nan 8.270 nan 0.000 0.456 1172 R N -0.689 119.522 120.500 -0.481 0.000 2.120 1172 R HA -0.144 4.194 4.340 -0.002 0.000 0.234 1172 R C 1.431 177.491 176.300 -0.401 0.000 1.123 1172 R CA 1.333 57.051 56.100 -0.638 0.000 0.975 1172 R CB -0.152 29.415 30.300 -1.221 0.000 0.866 1172 R HN 0.349 nan 8.270 nan 0.000 0.446 1173 Y N -0.722 119.492 120.300 -0.142 0.000 2.420 1173 Y HA 0.059 4.608 4.550 -0.002 0.000 0.292 1173 Y C 1.766 177.724 175.900 0.096 0.000 1.119 1173 Y CA 0.849 59.002 58.100 0.088 0.000 1.229 1173 Y CB 0.528 39.044 38.460 0.094 0.000 1.026 1173 Y HN 0.317 nan 8.280 nan 0.000 0.554 1174 G N -0.592 108.282 108.800 0.124 0.000 2.183 1174 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.168 1174 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.168 1174 G C -0.288 174.677 174.900 0.109 0.000 1.008 1174 G CA -0.215 44.966 45.100 0.135 0.000 0.677 1174 G HN 0.028 nan 8.290 nan 0.000 0.498 1175 V N 2.324 122.148 119.914 -0.151 0.000 2.599 1175 V HA 0.280 4.399 4.120 -0.002 0.000 0.300 1175 V C -1.220 174.782 176.094 -0.153 0.000 1.034 1175 V CA -0.451 61.621 62.300 -0.380 0.000 1.115 1175 V CB 0.825 32.292 31.823 -0.593 0.000 0.934 1175 V HN 0.196 nan 8.190 nan 0.000 0.485 1176 P HA 0.104 nan 4.420 nan 0.000 0.268 1176 P C 0.639 177.887 177.300 -0.087 0.000 1.205 1176 P CA -0.148 62.929 63.100 -0.038 0.000 0.771 1176 P CB 0.752 32.458 31.700 0.010 0.000 0.858 1177 E N 3.006 123.164 120.200 -0.070 0.000 2.058 1177 E HA -0.267 4.081 4.350 -0.002 0.000 0.194 1177 E C 1.290 177.839 176.600 -0.085 0.000 0.997 1177 E CA 2.116 58.467 56.400 -0.082 0.000 0.801 1177 E CB -0.640 29.023 29.700 -0.061 0.000 0.746 1177 E HN 0.519 nan 8.360 nan 0.000 0.450 1178 D N 0.335 120.698 120.400 -0.062 0.000 2.149 1178 D HA -0.207 4.432 4.640 -0.002 0.000 0.198 1178 D C 1.907 178.143 176.300 -0.107 0.000 0.990 1178 D CA 1.031 54.996 54.000 -0.058 0.000 0.839 1178 D CB -0.358 40.429 40.800 -0.021 0.000 0.948 1178 D HN 0.315 nan 8.370 nan 0.000 0.460 1179 I N 0.702 121.184 120.570 -0.148 0.000 2.500 1179 I HA -0.127 4.042 4.170 -0.002 0.000 0.252 1179 I C 2.526 178.465 176.117 -0.295 0.000 1.142 1179 I CA 0.295 61.429 61.300 -0.277 0.000 1.451 1179 I CB -0.396 37.431 38.000 -0.288 0.000 1.093 1179 I HN 0.019 nan 8.210 nan 0.000 0.430 1180 I N 0.728 121.166 120.570 -0.219 0.000 2.179 1180 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 1180 I C 2.528 178.544 176.117 -0.169 0.000 1.088 1180 I CA 1.420 62.600 61.300 -0.200 0.000 1.357 1180 I CB -0.906 36.996 38.000 -0.163 0.000 1.051 1180 I HN 0.324 nan 8.210 nan 0.000 0.409 1181 Q N 0.049 119.768 119.800 -0.134 0.000 2.224 1181 Q HA -0.226 4.113 4.340 -0.002 0.000 0.203 1181 Q C 2.088 178.029 176.000 -0.098 0.000 0.970 1181 Q CA 1.281 57.025 55.803 -0.098 0.000 0.865 1181 Q CB -0.270 28.427 28.738 -0.069 0.000 0.922 1181 Q HN 0.585 nan 8.270 nan 0.000 0.445 1182 Q N 0.024 119.742 119.800 -0.137 0.000 2.250 1182 Q HA 0.018 4.357 4.340 -0.002 0.000 0.200 1182 Q C 0.199 176.120 176.000 -0.132 0.000 0.941 1182 Q CA 0.439 56.175 55.803 -0.112 0.000 0.872 1182 Q CB 0.620 29.286 28.738 -0.120 0.000 0.965 1182 Q HN 0.054 nan 8.270 nan 0.000 0.480 1183 V N 0.935 120.705 119.914 -0.240 0.000 2.994 1183 V HA 0.251 4.370 4.120 -0.002 0.000 0.318 1183 V C -0.041 175.956 176.094 -0.161 0.000 1.085 1183 V CA -1.119 61.036 62.300 -0.241 0.000 0.998 1183 V CB 1.513 33.030 31.823 -0.510 0.000 1.063 1183 V HN 0.185 nan 8.190 nan 0.000 0.447 1184 D N 2.047 122.385 120.400 -0.103 0.000 2.443 1184 D HA 0.104 4.742 4.640 -0.002 0.000 0.239 1184 D C -1.654 174.535 176.300 -0.185 0.000 1.136 1184 D CA -1.205 52.740 54.000 -0.092 0.000 0.879 1184 D CB 2.034 42.818 40.800 -0.026 0.000 1.195 1184 D HN 0.204 nan 8.370 nan 0.000 0.443 1185 P HA -0.184 nan 4.420 nan 0.000 0.216 1185 P C 1.706 178.587 177.300 -0.698 0.000 1.154 1185 P CA 0.581 63.443 63.100 -0.397 0.000 0.865 1185 P CB 0.241 31.775 31.700 -0.276 0.000 0.789 1186 V N -0.419 119.260 119.914 -0.393 0.000 2.231 1186 V HA -0.335 3.784 4.120 -0.002 0.000 0.250 1186 V C 2.324 178.201 176.094 -0.361 0.000 1.058 1186 V CA 2.822 64.967 62.300 -0.257 0.000 1.022 1186 V CB -1.648 30.160 31.823 -0.026 0.000 0.640 1186 V HN 0.213 nan 8.190 nan 0.000 0.445 1187 T N 0.034 114.404 114.554 -0.308 0.000 2.759 1187 T HA -0.162 4.187 4.350 -0.002 0.000 0.269 1187 T C 1.802 176.371 174.700 -0.218 0.000 1.042 1187 T CA 1.505 63.452 62.100 -0.256 0.000 1.140 1187 T CB -0.269 68.492 68.868 -0.179 0.000 0.864 1187 T HN 0.306 nan 8.240 nan 0.000 0.455 1188 L N -0.438 120.620 121.223 -0.275 0.000 2.083 1188 L HA -0.112 4.227 4.340 -0.002 0.000 0.209 1188 L C 2.323 179.224 176.870 0.051 0.000 1.083 1188 L CA 1.685 56.421 54.840 -0.174 0.000 0.752 1188 L CB -0.676 41.269 42.059 -0.189 0.000 0.899 1188 L HN 0.443 nan 8.230 nan 0.000 0.433 1189 Y N -0.884 119.461 120.300 0.074 0.000 2.114 1189 Y HA -0.234 4.315 4.550 -0.002 0.000 0.284 1189 Y C 2.661 178.583 175.900 0.038 0.000 1.143 1189 Y CA 0.627 58.752 58.100 0.041 0.000 1.135 1189 Y CB -0.566 37.873 38.460 -0.034 0.000 0.980 1189 Y HN -0.123 nan 8.280 nan 0.000 0.499 1190 V N 0.633 120.610 119.914 0.104 0.000 2.332 1190 V HA -0.317 3.802 4.120 -0.002 0.000 0.248 1190 V C 2.307 178.476 176.094 0.125 0.000 1.055 1190 V CA 1.611 63.949 62.300 0.063 0.000 1.038 1190 V CB -0.748 30.991 31.823 -0.141 0.000 0.651 1190 V HN 0.417 nan 8.190 nan 0.000 0.450 1191 L N -0.529 120.752 121.223 0.097 0.000 1.989 1191 L HA -0.187 4.152 4.340 -0.002 0.000 0.211 1191 L C 2.523 179.549 176.870 0.259 0.000 1.071 1191 L CA 1.585 56.532 54.840 0.178 0.000 0.749 1191 L CB -0.577 41.471 42.059 -0.019 0.000 0.890 1191 L HN 0.204 nan 8.230 nan 0.000 0.431 1192 V N -0.875 119.126 119.914 0.146 0.000 2.343 1192 V HA -0.309 3.810 4.120 -0.002 0.000 0.247 1192 V C 2.712 178.888 176.094 0.138 0.000 1.051 1192 V CA 1.907 64.280 62.300 0.123 0.000 1.036 1192 V CB -0.283 31.574 31.823 0.057 0.000 0.654 1192 V HN 0.518 nan 8.190 nan 0.000 0.451 1193 S N -0.140 115.657 115.700 0.162 0.000 2.354 1193 S HA -0.215 4.254 4.470 -0.002 0.000 0.219 1193 S C 2.022 176.728 174.600 0.175 0.000 1.035 1193 S CA 2.230 60.523 58.200 0.155 0.000 1.037 1193 S CB -0.425 62.880 63.200 0.175 0.000 0.956 1193 S HN 0.287 nan 8.310 nan 0.000 0.428 1194 V N 2.223 122.255 119.914 0.197 0.000 2.546 1194 V HA -0.202 3.917 4.120 -0.002 0.000 0.254 1194 V C 2.777 178.989 176.094 0.198 0.000 1.076 1194 V CA 1.865 64.281 62.300 0.194 0.000 1.087 1194 V CB -1.372 30.572 31.823 0.200 0.000 0.674 1194 V HN 0.663 nan 8.190 nan 0.000 0.470 1195 A N -0.980 121.983 122.820 0.239 0.000 1.897 1195 A HA -0.175 4.143 4.320 -0.002 0.000 0.215 1195 A C 2.218 179.936 177.584 0.224 0.000 1.181 1195 A CA 1.496 53.667 52.037 0.224 0.000 0.620 1195 A CB -0.369 18.844 19.000 0.354 0.000 0.821 1195 A HN 0.565 nan 8.150 nan 0.000 0.443 1196 E N -0.447 119.885 120.200 0.220 0.000 2.152 1196 E HA -0.018 4.331 4.350 -0.002 0.000 0.192 1196 E C 2.180 178.924 176.600 0.239 0.000 0.983 1196 E CA 0.657 57.207 56.400 0.251 0.000 0.818 1196 E CB -0.143 29.689 29.700 0.220 0.000 0.758 1196 E HN 0.601 nan 8.360 nan 0.000 0.467 1197 A N 0.837 123.770 122.820 0.189 0.000 1.929 1197 A HA -0.101 4.218 4.320 -0.002 0.000 0.216 1197 A C 2.080 179.769 177.584 0.174 0.000 1.176 1197 A CA 0.702 52.834 52.037 0.158 0.000 0.628 1197 A CB -0.393 18.687 19.000 0.134 0.000 0.816 1197 A HN 0.155 nan 8.150 nan 0.000 0.444 1198 L N -0.892 120.439 121.223 0.181 0.000 2.141 1198 L HA -0.116 4.222 4.340 -0.002 0.000 0.209 1198 L C 2.559 179.522 176.870 0.155 0.000 1.094 1198 L CA 1.011 55.952 54.840 0.168 0.000 0.763 1198 L CB -0.373 41.775 42.059 0.148 0.000 0.908 1198 L HN 0.472 nan 8.230 nan 0.000 0.437 1199 L N -0.323 121.026 121.223 0.210 0.000 2.072 1199 L HA -0.179 4.160 4.340 -0.002 0.000 0.205 1199 L C 2.798 179.854 176.870 0.310 0.000 1.079 1199 L CA 1.459 56.439 54.840 0.233 0.000 0.752 1199 L CB -0.115 42.131 42.059 0.312 0.000 0.906 1199 L HN 0.355 nan 8.230 nan 0.000 0.436 1200 S N -2.361 113.581 115.700 0.403 0.000 2.500 1200 S HA -0.163 4.306 4.470 -0.002 0.000 0.239 1200 S C 1.787 176.596 174.600 0.349 0.000 0.989 1200 S CA 1.260 59.767 58.200 0.512 0.000 0.951 1200 S CB -0.241 63.145 63.200 0.310 0.000 0.759 1200 S HN 0.423 nan 8.310 nan 0.000 0.523 1201 S N -0.467 115.355 115.700 0.203 0.000 2.539 1201 S HA 0.470 4.938 4.470 -0.002 0.000 0.221 1201 S C 1.286 175.872 174.600 -0.023 0.000 0.987 1201 S CA 0.521 58.764 58.200 0.073 0.000 0.929 1201 S CB -0.498 62.775 63.200 0.121 0.000 0.832 1201 S HN 1.304 nan 8.310 nan 0.000 0.492 1202 G N 1.420 110.270 108.800 0.082 0.000 2.176 1202 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.253 1202 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.253 1202 G C -0.019 174.872 174.900 -0.016 0.000 0.979 1202 G CA 0.187 45.357 45.100 0.117 0.000 0.641 1202 G HN 0.491 nan 8.290 nan 0.000 0.530 1203 I N 1.943 122.471 120.570 -0.069 0.000 2.352 1203 I HA 0.311 4.480 4.170 -0.002 0.000 0.290 1203 I C 1.417 177.434 176.117 -0.166 0.000 1.036 1203 I CA 0.265 61.449 61.300 -0.194 0.000 1.336 1203 I CB 0.579 38.400 38.000 -0.297 0.000 1.407 1203 I HN 0.005 nan 8.210 nan 0.000 0.497 1204 T N 3.242 117.637 114.554 -0.265 0.000 2.818 1204 T HA -0.035 4.314 4.350 -0.002 0.000 0.246 1204 T C 0.549 175.015 174.700 -0.390 0.000 1.036 1204 T CA 0.835 62.660 62.100 -0.457 0.000 1.160 1204 T CB 0.079 68.560 68.868 -0.646 0.000 0.869 1204 T HN 0.572 nan 8.240 nan 0.000 0.419 1205 D N 1.414 121.620 120.400 -0.323 0.000 2.274 1205 D HA 0.234 4.873 4.640 -0.002 0.000 0.239 1205 D C -2.035 174.129 176.300 -0.227 0.000 1.104 1205 D CA -2.509 51.328 54.000 -0.271 0.000 0.840 1205 D CB 1.906 42.577 40.800 -0.215 0.000 1.100 1205 D HN -0.005 nan 8.370 nan 0.000 0.477 1206 P HA -0.081 nan 4.420 nan 0.000 0.230 1206 P C 0.875 178.188 177.300 0.022 0.000 1.158 1206 P CA 0.540 63.620 63.100 -0.033 0.000 0.769 1206 P CB 0.067 31.805 31.700 0.062 0.000 0.807 1207 Y N 0.582 120.809 120.300 -0.123 0.000 2.352 1207 Y HA -0.124 4.425 4.550 -0.002 0.000 0.292 1207 Y C 2.374 178.155 175.900 -0.198 0.000 1.136 1207 Y CA 0.102 58.132 58.100 -0.117 0.000 1.227 1207 Y CB -1.192 37.265 38.460 -0.006 0.000 0.991 1207 Y HN 0.163 nan 8.280 nan 0.000 0.545 1208 E N -0.097 120.065 120.200 -0.065 0.000 2.130 1208 E HA -0.254 4.095 4.350 -0.002 0.000 0.196 1208 E C 1.798 178.355 176.600 -0.072 0.000 0.998 1208 E CA 1.289 57.623 56.400 -0.110 0.000 0.806 1208 E CB -0.463 29.126 29.700 -0.184 0.000 0.738 1208 E HN 0.461 nan 8.360 nan 0.000 0.459 1209 F N -0.537 119.328 119.950 -0.140 0.000 2.192 1209 F HA -0.223 4.303 4.527 -0.002 0.000 0.301 1209 F C 1.091 176.840 175.800 -0.084 0.000 1.079 1209 F CA 0.681 58.587 58.000 -0.156 0.000 1.303 1209 F CB -0.068 38.691 39.000 -0.401 0.000 1.024 1209 F HN 0.144 nan 8.300 nan 0.000 0.494 1210 Y N -0.046 120.390 120.300 0.226 0.000 2.596 1210 Y HA 0.143 4.692 4.550 -0.002 0.000 0.316 1210 Y C 1.356 177.232 175.900 -0.039 0.000 1.156 1210 Y CA -0.646 57.496 58.100 0.070 0.000 1.300 1210 Y CB -1.009 37.390 38.460 -0.101 0.000 1.130 1210 Y HN 0.021 nan 8.280 nan 0.000 0.518 1211 K N -1.303 119.114 120.400 0.028 0.000 2.287 1211 K HA 0.076 4.394 4.320 -0.002 0.000 0.199 1211 K C 0.477 176.921 176.600 -0.261 0.000 1.061 1211 K CA 0.692 56.841 56.287 -0.230 0.000 0.976 1211 K CB 0.190 32.366 32.500 -0.541 0.000 0.898 1211 K HN 0.314 nan 8.250 nan 0.000 0.492 1212 Y N -0.394 119.979 120.300 0.121 0.000 2.481 1212 Y HA 0.211 4.760 4.550 -0.002 0.000 0.258 1212 Y C 0.412 176.409 175.900 0.161 0.000 1.103 1212 Y CA -0.363 57.812 58.100 0.125 0.000 1.287 1212 Y CB 1.077 39.605 38.460 0.114 0.000 1.108 1212 Y HN -0.294 nan 8.280 nan 0.000 0.529 1213 V N -0.934 119.191 119.914 0.352 0.000 3.087 1213 V HA 0.200 4.319 4.120 -0.002 0.000 0.306 1213 V C -1.248 175.085 176.094 0.398 0.000 1.187 1213 V CA -1.367 61.135 62.300 0.336 0.000 0.999 1213 V CB 2.253 34.265 31.823 0.314 0.000 1.049 1213 V HN 0.069 nan 8.190 nan 0.000 0.431 1214 H N 1.922 121.116 119.070 0.207 0.000 2.629 1214 H HA 0.403 4.957 4.556 -0.002 0.000 0.357 1214 H C 1.014 176.410 175.328 0.114 0.000 1.121 1214 H CA 0.130 56.261 56.048 0.138 0.000 1.406 1214 H CB 0.925 30.710 29.762 0.038 0.000 1.456 1214 H HN 0.549 nan 8.280 nan 0.000 0.579 1215 L N 2.055 122.831 121.223 -0.745 0.000 2.171 1215 L HA -0.274 4.064 4.340 -0.002 0.000 0.216 1215 L C 1.791 178.431 176.870 -0.384 0.000 1.084 1215 L CA 1.990 56.398 54.840 -0.720 0.000 0.771 1215 L CB -0.710 40.758 42.059 -0.985 0.000 0.890 1215 L HN 0.648 nan 8.230 nan 0.000 0.437 1216 S N -2.048 113.428 115.700 -0.372 0.000 2.743 1216 S HA 0.072 4.541 4.470 -0.002 0.000 0.230 1216 S C 0.968 175.579 174.600 0.019 0.000 0.950 1216 S CA -0.113 58.029 58.200 -0.097 0.000 0.976 1216 S CB 0.159 63.377 63.200 0.030 0.000 0.779 1216 S HN 0.469 nan 8.310 nan 0.000 0.487 1217 E N 0.149 120.378 120.200 0.049 0.000 2.641 1217 E HA 0.195 4.544 4.350 -0.002 0.000 0.224 1217 E C -0.915 175.693 176.600 0.013 0.000 0.951 1217 E CA -0.051 56.382 56.400 0.055 0.000 1.102 1217 E CB 1.354 31.112 29.700 0.097 0.000 1.091 1217 E HN 0.342 nan 8.360 nan 0.000 0.507 1218 V N 1.639 121.563 119.914 0.017 0.000 2.389 1218 V HA 0.426 4.545 4.120 -0.002 0.000 0.264 1218 V C 0.617 176.687 176.094 -0.041 0.000 1.049 1218 V CA -0.454 61.795 62.300 -0.085 0.000 0.932 1218 V CB 0.896 32.661 31.823 -0.096 0.000 1.011 1218 V HN 0.125 nan 8.190 nan 0.000 0.475 1219 G N 2.992 111.759 108.800 -0.054 0.000 2.434 1219 G HA2 0.483 4.441 3.960 -0.002 0.000 0.330 1219 G HA3 0.483 4.441 3.960 -0.002 0.000 0.330 1219 G C -0.666 174.235 174.900 0.002 0.000 1.155 1219 G CA -0.561 44.531 45.100 -0.014 0.000 0.917 1219 G HN 0.541 nan 8.290 nan 0.000 0.493 1220 N N -0.089 118.628 118.700 0.029 0.000 2.576 1220 N HA 0.242 4.981 4.740 -0.002 0.000 0.269 1220 N C -0.777 174.773 175.510 0.067 0.000 1.058 1220 N CA -0.474 52.610 53.050 0.055 0.000 0.860 1220 N CB 1.337 39.866 38.487 0.070 0.000 1.249 1220 N HN 0.262 nan 8.380 nan 0.000 0.525 1221 C N 4.318 123.662 119.300 0.074 0.000 2.660 1221 C HA 0.473 4.932 4.460 -0.002 0.000 0.265 1221 C C 0.618 175.663 174.990 0.092 0.000 1.573 1221 C CA -0.674 58.388 59.018 0.073 0.000 1.751 1221 C CB -1.652 26.123 27.740 0.058 0.000 3.033 1221 C HN 0.572 nan 8.230 nan 0.000 0.511 1222 I N 1.457 122.108 120.570 0.135 0.000 2.395 1222 I HA 0.542 4.711 4.170 -0.002 0.000 0.289 1222 I C 0.959 177.178 176.117 0.171 0.000 1.023 1222 I CA 0.547 61.957 61.300 0.182 0.000 1.350 1222 I CB 0.908 39.077 38.000 0.281 0.000 1.409 1222 I HN 0.438 nan 8.210 nan 0.000 0.507 1223 G N 3.425 112.244 108.800 0.032 0.000 3.211 1223 G HA2 0.811 4.769 3.960 -0.002 0.000 0.262 1223 G HA3 0.811 4.769 3.960 -0.002 0.000 0.262 1223 G C -1.036 173.509 174.900 -0.592 0.000 1.352 1223 G CA -0.297 44.720 45.100 -0.138 0.000 1.004 1223 G HN 0.732 nan 8.290 nan 0.000 0.559 1224 S N -3.223 112.180 115.700 -0.496 0.000 2.688 1224 S HA 0.508 4.977 4.470 -0.002 0.000 0.269 1224 S C 0.826 175.272 174.600 -0.256 0.000 1.060 1224 S CA 0.635 58.469 58.200 -0.611 0.000 0.844 1224 S CB 0.804 63.256 63.200 -1.248 0.000 1.095 1224 S HN 1.671 nan 8.310 nan 0.000 0.466 1225 G N 0.112 108.813 108.800 -0.166 0.000 2.395 1225 G HA2 0.372 4.331 3.960 -0.002 0.000 0.214 1225 G HA3 0.372 4.331 3.960 -0.002 0.000 0.214 1225 G C 0.440 175.307 174.900 -0.055 0.000 1.177 1225 G CA 0.973 46.030 45.100 -0.072 0.000 0.794 1225 G HN 1.855 nan 8.290 nan 0.000 0.532 1226 V N -1.808 118.085 119.914 -0.036 0.000 2.841 1226 V HA 0.663 4.781 4.120 -0.002 0.000 0.258 1226 V C -0.014 176.116 176.094 0.060 0.000 0.973 1226 V CA -0.721 61.575 62.300 -0.007 0.000 0.921 1226 V CB 0.506 32.301 31.823 -0.046 0.000 1.053 1226 V HN 0.394 nan 8.190 nan 0.000 0.498 1227 G N 1.237 110.120 108.800 0.138 0.000 2.425 1227 G HA2 0.675 4.634 3.960 -0.002 0.000 0.302 1227 G HA3 0.675 4.634 3.960 -0.002 0.000 0.302 1227 G C 0.889 175.926 174.900 0.228 0.000 1.159 1227 G CA -0.171 45.121 45.100 0.321 0.000 0.865 1227 G HN 2.283 nan 8.290 nan 0.000 0.515 1228 G N 0.055 108.973 108.800 0.196 0.000 2.164 1228 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.212 1228 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.212 1228 G C 0.980 175.921 174.900 0.069 0.000 1.031 1228 G CA 0.706 45.874 45.100 0.113 0.000 0.730 1228 G HN 1.027 nan 8.290 nan 0.000 0.501 1229 T N 0.298 114.896 114.554 0.073 0.000 2.881 1229 T HA -0.072 4.276 4.350 -0.002 0.000 0.270 1229 T C 2.577 177.289 174.700 0.020 0.000 1.068 1229 T CA 1.914 64.033 62.100 0.031 0.000 1.131 1229 T CB -0.127 68.761 68.868 0.033 0.000 0.871 1229 T HN 0.475 nan 8.240 nan 0.000 0.479 1230 S N 1.697 117.418 115.700 0.034 0.000 2.357 1230 S HA 0.080 4.549 4.470 -0.002 0.000 0.221 1230 S C 2.668 177.282 174.600 0.024 0.000 1.031 1230 S CA 0.792 59.008 58.200 0.026 0.000 0.982 1230 S CB -0.589 62.626 63.200 0.025 0.000 0.853 1230 S HN 0.613 nan 8.310 nan 0.000 0.458 1231 A N 1.667 124.504 122.820 0.027 0.000 1.933 1231 A HA 0.034 4.352 4.320 -0.002 0.000 0.218 1231 A C 2.096 179.702 177.584 0.037 0.000 1.175 1231 A CA 0.915 52.968 52.037 0.027 0.000 0.628 1231 A CB -0.724 18.294 19.000 0.030 0.000 0.814 1231 A HN 0.406 nan 8.150 nan 0.000 0.444 1232 L N -0.624 120.628 121.223 0.048 0.000 1.970 1232 L HA -0.238 4.101 4.340 -0.002 0.000 0.212 1232 L C 2.901 179.868 176.870 0.161 0.000 1.071 1232 L CA 2.242 57.148 54.840 0.109 0.000 0.751 1232 L CB -0.592 41.484 42.059 0.028 0.000 0.889 1232 L HN 0.588 nan 8.230 nan 0.000 0.432 1233 R N 0.300 120.839 120.500 0.065 0.000 2.103 1233 R HA -0.178 4.161 4.340 -0.002 0.000 0.242 1233 R C 2.061 178.399 176.300 0.063 0.000 1.142 1233 R CA 1.818 57.948 56.100 0.050 0.000 0.960 1233 R CB -0.680 29.619 30.300 -0.000 0.000 0.858 1233 R HN 0.409 nan 8.270 nan 0.000 0.439 1234 G N 1.383 110.208 108.800 0.042 0.000 2.462 1234 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.220 1234 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.220 1234 G C 1.518 176.422 174.900 0.007 0.000 1.121 1234 G CA 1.065 46.178 45.100 0.023 0.000 0.758 1234 G HN 0.593 nan 8.290 nan 0.000 0.559 1235 M N -2.851 116.746 119.600 -0.005 0.000 2.571 1235 M HA 0.400 4.879 4.480 -0.002 0.000 0.259 1235 M C 1.823 177.998 176.300 -0.208 0.000 1.205 1235 M CA 0.405 55.633 55.300 -0.119 0.000 1.138 1235 M CB 0.307 32.789 32.600 -0.198 0.000 1.329 1235 M HN 0.035 nan 8.290 nan 0.000 0.503 1236 Y N 1.118 121.391 120.300 -0.045 0.000 2.510 1236 Y HA 0.259 4.808 4.550 -0.002 0.000 0.273 1236 Y C 2.409 178.280 175.900 -0.048 0.000 1.119 1236 Y CA 0.847 58.908 58.100 -0.064 0.000 1.286 1236 Y CB 0.415 38.823 38.460 -0.086 0.000 1.061 1236 Y HN 0.321 nan 8.280 nan 0.000 0.542 1237 K N -0.655 119.814 120.400 0.115 0.000 2.638 1237 K HA 0.031 4.350 4.320 -0.002 0.000 0.207 1237 K C 0.934 177.599 176.600 0.109 0.000 1.429 1237 K CA 0.557 56.910 56.287 0.111 0.000 0.957 1237 K CB -0.038 32.501 32.500 0.065 0.000 1.733 1237 K HN -0.183 nan 8.250 nan 0.000 0.474 1238 D N 1.202 121.639 120.400 0.061 0.000 2.311 1238 D HA -0.148 4.491 4.640 -0.002 0.000 0.212 1238 D C 1.805 178.124 176.300 0.031 0.000 0.972 1238 D CA 0.984 55.007 54.000 0.037 0.000 0.887 1238 D CB 0.115 40.928 40.800 0.021 0.000 0.915 1238 D HN 0.253 nan 8.370 nan 0.000 0.497 1239 R N -1.037 119.488 120.500 0.042 0.000 2.112 1239 R HA -0.091 4.248 4.340 -0.002 0.000 0.216 1239 R C 2.137 178.475 176.300 0.063 0.000 1.080 1239 R CA 0.391 56.506 56.100 0.026 0.000 0.996 1239 R CB -0.456 29.840 30.300 -0.006 0.000 0.902 1239 R HN 0.069 nan 8.270 nan 0.000 0.449 1240 Y N 1.132 121.404 120.300 -0.045 0.000 2.256 1240 Y HA -0.100 4.448 4.550 -0.002 0.000 0.288 1240 Y C 1.311 177.191 175.900 -0.033 0.000 1.155 1240 Y CA 1.483 59.559 58.100 -0.040 0.000 1.203 1240 Y CB -0.011 38.431 38.460 -0.029 0.000 0.980 1240 Y HN 0.081 nan 8.280 nan 0.000 0.530 1241 L N -0.163 121.030 121.223 -0.050 0.000 2.599 1241 L HA -0.004 4.335 4.340 -0.002 0.000 0.230 1241 L C 0.645 177.453 176.870 -0.103 0.000 1.141 1241 L CA 1.010 55.771 54.840 -0.131 0.000 0.877 1241 L CB -0.358 41.675 42.059 -0.043 0.000 1.009 1241 L HN 0.088 nan 8.230 nan 0.000 0.447 1242 D N 0.647 121.001 120.400 -0.077 0.000 3.012 1242 D HA -0.180 4.459 4.640 -0.002 0.000 0.222 1242 D C 0.297 176.573 176.300 -0.040 0.000 1.167 1242 D CA 0.889 54.852 54.000 -0.063 0.000 0.854 1242 D CB -0.513 40.235 40.800 -0.086 0.000 1.107 1242 D HN 0.289 nan 8.370 nan 0.000 0.421 1243 K N 0.346 120.730 120.400 -0.027 0.000 2.258 1243 K HA 0.375 4.693 4.320 -0.002 0.000 0.264 1243 K C -2.322 174.271 176.600 -0.012 0.000 1.007 1243 K CA -1.376 54.902 56.287 -0.016 0.000 0.941 1243 K CB 0.324 32.819 32.500 -0.007 0.000 0.966 1243 K HN 0.026 nan 8.250 nan 0.000 0.480 1244 P HA 0.041 nan 4.420 nan 0.000 0.264 1244 P C -1.085 176.212 177.300 -0.005 0.000 1.229 1244 P CA -0.011 63.084 63.100 -0.008 0.000 0.780 1244 P CB 0.495 32.192 31.700 -0.006 0.000 0.808 1245 V N 4.006 123.917 119.914 -0.005 0.000 2.925 1245 V HA 0.201 4.320 4.120 -0.002 0.000 0.311 1245 V C 0.278 176.372 176.094 -0.000 0.000 1.104 1245 V CA -0.932 61.367 62.300 -0.002 0.000 0.954 1245 V CB 2.111 33.932 31.823 -0.003 0.000 1.022 1245 V HN 0.447 nan 8.190 nan 0.000 0.427 1246 Q N 1.989 121.792 119.800 0.005 0.000 2.450 1246 Q HA 0.040 4.379 4.340 -0.002 0.000 0.294 1246 Q C 0.543 176.550 176.000 0.013 0.000 1.129 1246 Q CA 0.287 56.097 55.803 0.013 0.000 0.970 1246 Q CB 0.978 29.729 28.738 0.022 0.000 1.294 1246 Q HN 0.537 nan 8.270 nan 0.000 0.453 1247 K N 0.587 120.999 120.400 0.020 0.000 2.243 1247 K HA -0.093 4.226 4.320 -0.002 0.000 0.201 1247 K C 0.436 177.053 176.600 0.029 0.000 1.051 1247 K CA 1.170 57.468 56.287 0.018 0.000 0.970 1247 K CB 0.308 32.820 32.500 0.019 0.000 0.755 1247 K HN 0.605 nan 8.250 nan 0.000 0.465 1248 D N -0.099 120.330 120.400 0.047 0.000 2.388 1248 D HA 0.005 4.644 4.640 -0.002 0.000 0.221 1248 D C 1.121 177.470 176.300 0.082 0.000 1.133 1248 D CA -0.100 53.944 54.000 0.073 0.000 0.831 1248 D CB -0.375 40.483 40.800 0.096 0.000 0.962 1248 D HN 0.149 nan 8.370 nan 0.000 0.502 1249 I N -0.665 119.935 120.570 0.049 0.000 2.399 1249 I HA -0.241 3.928 4.170 -0.002 0.000 0.254 1249 I C 2.123 178.265 176.117 0.041 0.000 1.146 1249 I CA 0.580 61.906 61.300 0.042 0.000 1.412 1249 I CB -0.461 37.546 38.000 0.011 0.000 1.076 1249 I HN 0.046 nan 8.210 nan 0.000 0.432 1250 L N 0.821 122.064 121.223 0.033 0.000 2.013 1250 L HA -0.271 4.068 4.340 -0.002 0.000 0.212 1250 L C 2.604 179.550 176.870 0.126 0.000 1.073 1250 L CA 1.910 56.758 54.840 0.014 0.000 0.753 1250 L CB -0.896 41.197 42.059 0.056 0.000 0.890 1250 L HN 0.321 nan 8.230 nan 0.000 0.432 1251 Q N -0.483 119.472 119.800 0.258 0.000 2.012 1251 Q HA -0.250 4.088 4.340 -0.002 0.000 0.211 1251 Q C 1.652 177.884 176.000 0.387 0.000 1.009 1251 Q CA 2.246 58.274 55.803 0.376 0.000 0.866 1251 Q CB -0.309 28.579 28.738 0.251 0.000 0.945 1251 Q HN 0.554 nan 8.270 nan 0.000 0.414 1252 E N -0.011 120.341 120.200 0.253 0.000 2.526 1252 E HA -0.066 4.283 4.350 -0.002 0.000 0.198 1252 E C 1.459 178.150 176.600 0.152 0.000 1.091 1252 E CA 0.797 57.338 56.400 0.235 0.000 0.880 1252 E CB 0.074 29.881 29.700 0.178 0.000 0.873 1252 E HN 0.346 nan 8.360 nan 0.000 0.527 1253 S N -0.643 115.093 115.700 0.060 0.000 2.511 1253 S HA 0.100 4.569 4.470 -0.002 0.000 0.214 1253 S C 0.496 175.061 174.600 -0.058 0.000 0.997 1253 S CA -0.543 57.632 58.200 -0.042 0.000 0.908 1253 S CB -0.216 62.891 63.200 -0.156 0.000 0.803 1253 S HN -0.035 nan 8.310 nan 0.000 0.504 1254 F N 1.917 121.939 119.950 0.120 0.000 2.443 1254 F HA 0.334 4.860 4.527 -0.002 0.000 0.353 1254 F C 1.580 177.471 175.800 0.152 0.000 1.101 1254 F CA -0.645 57.422 58.000 0.112 0.000 1.226 1254 F CB 0.942 39.994 39.000 0.087 0.000 1.140 1254 F HN -0.162 nan 8.300 nan 0.000 0.557 1255 V N 2.291 122.405 119.914 0.333 0.000 2.469 1255 V HA -0.322 3.796 4.120 -0.002 0.000 0.251 1255 V C 2.000 178.303 176.094 0.347 0.000 1.064 1255 V CA 2.140 64.622 62.300 0.304 0.000 1.066 1255 V CB -0.663 31.265 31.823 0.175 0.000 0.667 1255 V HN 0.876 nan 8.190 nan 0.000 0.461 1256 N N -0.724 118.142 118.700 0.276 0.000 2.336 1256 N HA -0.057 4.682 4.740 -0.002 0.000 0.189 1256 N C 1.228 176.844 175.510 0.177 0.000 1.113 1256 N CA 0.913 54.084 53.050 0.202 0.000 0.858 1256 N CB 0.145 38.697 38.487 0.110 0.000 0.970 1256 N HN 0.417 nan 8.380 nan 0.000 0.471 1257 T N 0.935 115.632 114.554 0.237 0.000 2.985 1257 T HA 0.065 4.414 4.350 -0.002 0.000 0.266 1257 T C 1.756 176.616 174.700 0.267 0.000 1.076 1257 T CA 0.608 62.823 62.100 0.191 0.000 1.135 1257 T CB 0.025 69.065 68.868 0.286 0.000 0.890 1257 T HN 0.061 nan 8.240 nan 0.000 0.480 1258 M N 1.952 121.717 119.600 0.275 0.000 2.066 1258 M HA 0.054 4.533 4.480 -0.002 0.000 0.259 1258 M C 2.752 179.186 176.300 0.224 0.000 1.074 1258 M CA 1.729 57.147 55.300 0.197 0.000 1.114 1258 M CB -1.207 31.355 32.600 -0.063 0.000 1.306 1258 M HN 0.266 nan 8.290 nan 0.000 0.411 1259 A N 0.026 122.981 122.820 0.226 0.000 1.903 1259 A HA -0.188 4.130 4.320 -0.002 0.000 0.219 1259 A C 2.429 180.096 177.584 0.140 0.000 1.191 1259 A CA 2.707 54.855 52.037 0.185 0.000 0.638 1259 A CB -1.469 17.631 19.000 0.167 0.000 0.823 1259 A HN 0.549 nan 8.150 nan 0.000 0.451 1260 A N -1.608 121.261 122.820 0.081 0.000 1.865 1260 A HA -0.215 4.104 4.320 -0.002 0.000 0.217 1260 A C 2.029 179.606 177.584 -0.013 0.000 1.191 1260 A CA 1.513 53.531 52.037 -0.033 0.000 0.623 1260 A CB -1.073 17.821 19.000 -0.175 0.000 0.826 1260 A HN 0.775 nan 8.150 nan 0.000 0.444 1261 W N -0.447 120.903 121.300 0.084 0.000 2.374 1261 W HA -0.115 4.544 4.660 -0.002 0.000 0.288 1261 W C 2.239 178.828 176.519 0.117 0.000 1.218 1261 W CA 1.015 58.413 57.345 0.088 0.000 1.245 1261 W CB -0.234 29.264 29.460 0.064 0.000 1.126 1261 W HN 0.157 nan 8.180 nan 0.000 0.545 1262 V N 0.134 120.254 119.914 0.342 0.000 2.343 1262 V HA -0.340 3.779 4.120 -0.002 0.000 0.247 1262 V C 1.737 177.963 176.094 0.220 0.000 1.051 1262 V CA 2.329 64.791 62.300 0.270 0.000 1.036 1262 V CB -0.910 31.041 31.823 0.214 0.000 0.654 1262 V HN 0.229 nan 8.190 nan 0.000 0.451 1263 N N -0.654 118.152 118.700 0.175 0.000 2.354 1263 N HA -0.027 4.712 4.740 -0.002 0.000 0.179 1263 N C 1.621 177.221 175.510 0.150 0.000 1.021 1263 N CA 0.851 53.989 53.050 0.146 0.000 0.887 1263 N CB -0.064 38.485 38.487 0.103 0.000 0.974 1263 N HN 0.429 nan 8.380 nan 0.000 0.437 1264 M N -0.705 118.985 119.600 0.150 0.000 2.556 1264 M HA 0.119 4.598 4.480 -0.002 0.000 0.245 1264 M C 0.779 177.218 176.300 0.232 0.000 1.128 1264 M CA 0.593 55.979 55.300 0.143 0.000 1.069 1264 M CB 0.482 33.094 32.600 0.019 0.000 1.469 1264 M HN 0.142 nan 8.290 nan 0.000 0.494 1265 L N -1.483 119.899 121.223 0.265 0.000 2.803 1265 L HA 0.239 4.578 4.340 -0.002 0.000 0.246 1265 L C 1.353 178.294 176.870 0.118 0.000 1.100 1265 L CA 0.085 55.080 54.840 0.258 0.000 0.919 1265 L CB 0.517 42.818 42.059 0.404 0.000 1.285 1265 L HN 0.267 nan 8.230 nan 0.000 0.522 1266 L N -1.288 119.999 121.223 0.106 0.000 3.147 1266 L HA 0.237 4.576 4.340 -0.002 0.000 0.166 1266 L C 0.049 176.971 176.870 0.087 0.000 1.146 1266 L CA -0.332 54.511 54.840 0.005 0.000 0.858 1266 L CB 0.213 42.267 42.059 -0.008 0.000 1.500 1266 L HN -0.112 nan 8.230 nan 0.000 0.547 1267 L N 1.851 123.173 121.223 0.165 0.000 2.342 1267 L HA 0.211 4.550 4.340 -0.002 0.000 0.285 1267 L C 0.293 177.357 176.870 0.322 0.000 1.095 1267 L CA -0.235 54.766 54.840 0.267 0.000 0.843 1267 L CB 0.513 42.685 42.059 0.190 0.000 1.201 1267 L HN 0.232 nan 8.230 nan 0.000 0.445 1268 S N 0.246 116.224 115.700 0.463 0.000 3.324 1268 S HA 0.141 4.609 4.470 -0.002 0.000 0.229 1268 S C 0.541 175.272 174.600 0.219 0.000 1.417 1268 S CA -0.739 57.651 58.200 0.317 0.000 1.211 1268 S CB -0.464 62.909 63.200 0.288 0.000 1.157 1268 S HN 0.695 nan 8.310 nan 0.000 0.491 1269 S N 0.990 116.817 115.700 0.211 0.000 2.562 1269 S HA 0.362 4.830 4.470 -0.002 0.000 0.275 1269 S C 0.794 175.379 174.600 -0.024 0.000 1.281 1269 S CA -0.208 58.048 58.200 0.093 0.000 1.045 1269 S CB 1.115 64.420 63.200 0.175 0.000 0.962 1269 S HN 0.546 nan 8.310 nan 0.000 0.503 1270 T N 0.784 115.230 114.554 -0.179 0.000 3.273 1270 T HA 0.390 4.739 4.350 -0.002 0.000 0.254 1270 T C 0.915 175.558 174.700 -0.095 0.000 1.002 1270 T CA -0.168 61.827 62.100 -0.174 0.000 0.913 1270 T CB -0.855 67.773 68.868 -0.400 0.000 1.056 1270 T HN 0.839 nan 8.240 nan 0.000 0.576 1271 G N 2.267 111.039 108.800 -0.045 0.000 2.583 1271 G HA2 0.502 4.461 3.960 -0.002 0.000 0.275 1271 G HA3 0.502 4.461 3.960 -0.002 0.000 0.275 1271 G C -2.503 172.395 174.900 -0.003 0.000 1.342 1271 G CA -1.230 43.861 45.100 -0.016 0.000 1.030 1271 G HN 0.345 nan 8.290 nan 0.000 0.520 1272 P HA 0.445 nan 4.420 nan 0.000 0.276 1272 P C -0.584 176.727 177.300 0.018 0.000 1.261 1272 P CA -0.362 62.744 63.100 0.009 0.000 0.800 1272 P CB 0.869 32.573 31.700 0.007 0.000 1.066 1273 I N -0.960 119.622 120.570 0.020 0.000 2.649 1273 I HA 0.346 4.515 4.170 -0.002 0.000 0.275 1273 I C -0.413 175.722 176.117 0.030 0.000 1.180 1273 I CA -0.451 60.868 61.300 0.031 0.000 1.049 1273 I CB 1.106 39.124 38.000 0.030 0.000 1.234 1273 I HN -0.041 nan 8.210 nan 0.000 0.506 1274 K N 3.788 124.208 120.400 0.033 0.000 2.281 1274 K HA 0.530 4.849 4.320 -0.002 0.000 0.272 1274 K C -0.172 176.453 176.600 0.042 0.000 1.048 1274 K CA -0.339 55.967 56.287 0.032 0.000 0.898 1274 K CB 1.352 33.868 32.500 0.026 0.000 1.128 1274 K HN 0.600 nan 8.250 nan 0.000 0.460 1275 T N 1.351 115.933 114.554 0.046 0.000 2.786 1275 T HA 0.573 4.921 4.350 -0.002 0.000 0.283 1275 T C -2.495 172.229 174.700 0.039 0.000 0.992 1275 T CA -2.069 60.065 62.100 0.057 0.000 0.954 1275 T CB 1.381 70.301 68.868 0.086 0.000 0.934 1275 T HN 0.194 nan 8.240 nan 0.000 0.440 1276 P HA 0.615 nan 4.420 nan 0.000 0.296 1276 P C -1.150 176.137 177.300 -0.020 0.000 1.310 1276 P CA -0.939 62.162 63.100 0.002 0.000 0.900 1276 P CB 1.671 33.369 31.700 -0.004 0.000 1.111 1277 V N 2.007 121.914 119.914 -0.011 0.000 2.289 1277 V HA 0.472 4.590 4.120 -0.002 0.000 0.272 1277 V C 1.001 177.088 176.094 -0.010 0.000 1.026 1277 V CA -0.169 62.118 62.300 -0.021 0.000 0.807 1277 V CB 0.883 32.703 31.823 -0.005 0.000 1.044 1277 V HN 0.869 nan 8.190 nan 0.000 0.443 1278 G N 2.639 111.427 108.800 -0.019 0.000 3.936 1278 G HA2 0.564 4.523 3.960 -0.002 0.000 0.296 1278 G HA3 0.564 4.523 3.960 -0.002 0.000 0.296 1278 G C 0.777 175.691 174.900 0.023 0.000 1.121 1278 G CA 0.663 45.761 45.100 -0.003 0.000 0.899 1278 G HN 1.117 nan 8.290 nan 0.000 0.542 1279 A N -0.456 122.381 122.820 0.029 0.000 5.578 1279 A HA -0.354 3.965 4.320 -0.002 0.000 0.312 1279 A C 2.187 179.826 177.584 0.091 0.000 1.861 1279 A CA 1.388 53.468 52.037 0.071 0.000 0.719 1279 A CB -1.557 17.545 19.000 0.170 0.000 1.323 1279 A HN 0.967 nan 8.150 nan 0.000 0.387 1280 C N -0.319 119.099 119.300 0.197 0.000 2.400 1280 C HA 0.181 4.639 4.460 -0.002 0.000 0.291 1280 C C 2.600 177.670 174.990 0.134 0.000 1.372 1280 C CA 1.574 60.745 59.018 0.255 0.000 1.800 1280 C CB -1.991 26.023 27.740 0.456 0.000 1.869 1280 C HN 1.525 nan 8.230 nan 0.000 0.533 1281 A N 0.376 123.213 122.820 0.029 0.000 2.470 1281 A HA 0.172 4.490 4.320 -0.002 0.000 0.251 1281 A C 1.958 179.507 177.584 -0.059 0.000 1.245 1281 A CA 0.893 52.891 52.037 -0.065 0.000 0.932 1281 A CB -0.552 18.361 19.000 -0.144 0.000 1.037 1281 A HN 0.594 nan 8.150 nan 0.000 0.522 1282 T N -1.694 112.834 114.554 -0.043 0.000 2.699 1282 T HA -0.204 4.145 4.350 -0.002 0.000 0.268 1282 T C 1.922 176.589 174.700 -0.056 0.000 1.036 1282 T CA 1.925 63.990 62.100 -0.058 0.000 1.147 1282 T CB -0.649 68.163 68.868 -0.094 0.000 0.862 1282 T HN 0.653 nan 8.240 nan 0.000 0.446 1283 A N 0.839 123.625 122.820 -0.056 0.000 1.940 1283 A HA 0.040 4.358 4.320 -0.002 0.000 0.219 1283 A C 2.656 180.227 177.584 -0.022 0.000 1.176 1283 A CA 1.874 53.891 52.037 -0.033 0.000 0.631 1283 A CB -1.024 17.955 19.000 -0.035 0.000 0.814 1283 A HN 0.483 nan 8.150 nan 0.000 0.446 1284 V N -0.320 119.567 119.914 -0.045 0.000 2.302 1284 V HA -0.210 3.909 4.120 -0.002 0.000 0.243 1284 V C 2.457 178.519 176.094 -0.053 0.000 1.036 1284 V CA 1.915 64.182 62.300 -0.056 0.000 1.020 1284 V CB -0.754 31.011 31.823 -0.098 0.000 0.657 1284 V HN 0.779 nan 8.190 nan 0.000 0.453 1285 E N 0.228 120.392 120.200 -0.060 0.000 2.169 1285 E HA -0.327 4.021 4.350 -0.002 0.000 0.202 1285 E C 2.343 178.935 176.600 -0.013 0.000 1.016 1285 E CA 1.836 58.211 56.400 -0.041 0.000 0.817 1285 E CB -0.190 29.486 29.700 -0.040 0.000 0.736 1285 E HN 0.531 nan 8.360 nan 0.000 0.462 1286 S N -0.135 115.560 115.700 -0.007 0.000 2.348 1286 S HA -0.176 4.293 4.470 -0.002 0.000 0.221 1286 S C 1.997 176.617 174.600 0.034 0.000 1.033 1286 S CA 1.187 59.398 58.200 0.017 0.000 1.010 1286 S CB -0.390 62.821 63.200 0.020 0.000 0.891 1286 S HN 0.376 nan 8.310 nan 0.000 0.442 1287 L N 2.623 123.862 121.223 0.025 0.000 2.013 1287 L HA -0.142 4.196 4.340 -0.002 0.000 0.212 1287 L C 2.247 179.152 176.870 0.058 0.000 1.073 1287 L CA 2.716 57.578 54.840 0.037 0.000 0.753 1287 L CB -1.070 40.992 42.059 0.005 0.000 0.890 1287 L HN 0.463 nan 8.230 nan 0.000 0.432 1288 D N -0.877 119.536 120.400 0.021 0.000 2.092 1288 D HA -0.190 4.448 4.640 -0.002 0.000 0.193 1288 D C 2.066 178.444 176.300 0.130 0.000 0.994 1288 D CA 2.087 56.117 54.000 0.050 0.000 0.828 1288 D CB -0.082 40.718 40.800 -0.000 0.000 0.963 1288 D HN 0.269 nan 8.370 nan 0.000 0.450 1289 V N 1.065 121.026 119.914 0.078 0.000 2.287 1289 V HA -0.203 3.916 4.120 -0.002 0.000 0.248 1289 V C 2.737 178.880 176.094 0.082 0.000 1.053 1289 V CA 2.176 64.518 62.300 0.070 0.000 1.027 1289 V CB -1.100 30.750 31.823 0.044 0.000 0.646 1289 V HN 0.412 nan 8.190 nan 0.000 0.447 1290 G N -1.806 107.047 108.800 0.089 0.000 2.422 1290 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.218 1290 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.218 1290 G C 1.487 176.450 174.900 0.104 0.000 1.146 1290 G CA 1.125 46.274 45.100 0.081 0.000 0.769 1290 G HN 0.567 nan 8.290 nan 0.000 0.547 1291 Y N 1.966 122.275 120.300 0.014 0.000 2.049 1291 Y HA -0.197 4.351 4.550 -0.002 0.000 0.277 1291 Y C 2.523 178.431 175.900 0.013 0.000 1.143 1291 Y CA 2.280 60.391 58.100 0.018 0.000 1.115 1291 Y CB -0.355 38.118 38.460 0.021 0.000 0.975 1291 Y HN 0.192 nan 8.280 nan 0.000 0.487 1292 D N -0.608 119.825 120.400 0.055 0.000 2.106 1292 D HA -0.195 4.444 4.640 -0.002 0.000 0.191 1292 D C 2.216 178.461 176.300 -0.091 0.000 0.997 1292 D CA 2.208 56.170 54.000 -0.063 0.000 0.834 1292 D CB -0.805 40.025 40.800 0.048 0.000 0.956 1292 D HN 0.397 nan 8.370 nan 0.000 0.448 1293 T N 0.797 115.332 114.554 -0.031 0.000 2.699 1293 T HA -0.128 4.220 4.350 -0.002 0.000 0.268 1293 T C 2.080 176.748 174.700 -0.054 0.000 1.036 1293 T CA 0.651 62.733 62.100 -0.029 0.000 1.147 1293 T CB -0.195 68.672 68.868 -0.001 0.000 0.862 1293 T HN 0.170 nan 8.240 nan 0.000 0.446 1294 I N 0.536 121.063 120.570 -0.072 0.000 2.286 1294 I HA -0.058 4.110 4.170 -0.002 0.000 0.245 1294 I C 2.008 178.054 176.117 -0.118 0.000 1.104 1294 I CA 1.107 62.361 61.300 -0.078 0.000 1.397 1294 I CB -0.272 37.691 38.000 -0.061 0.000 1.072 1294 I HN 0.281 nan 8.210 nan 0.000 0.417 1295 M N 0.070 119.545 119.600 -0.207 0.000 2.691 1295 M HA -0.050 4.429 4.480 -0.002 0.000 0.227 1295 M C 0.837 177.047 176.300 -0.151 0.000 1.120 1295 M CA 0.828 55.997 55.300 -0.219 0.000 1.034 1295 M CB -0.075 32.302 32.600 -0.372 0.000 1.675 1295 M HN 0.285 nan 8.290 nan 0.000 0.514 1296 Q N -0.642 119.092 119.800 -0.109 0.000 2.139 1296 Q HA 0.220 4.559 4.340 -0.002 0.000 0.219 1296 Q C 1.085 177.050 176.000 -0.057 0.000 0.805 1296 Q CA 0.337 56.092 55.803 -0.080 0.000 1.024 1296 Q CB 1.494 30.192 28.738 -0.068 0.000 1.163 1296 Q HN 0.693 nan 8.270 nan 0.000 0.485 1297 G N 1.587 110.355 108.800 -0.053 0.000 2.199 1297 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.254 1297 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.254 1297 G C 1.140 176.028 174.900 -0.019 0.000 0.982 1297 G CA 0.580 45.660 45.100 -0.034 0.000 0.632 1297 G HN 0.213 nan 8.290 nan 0.000 0.529 1298 K N 0.270 120.657 120.400 -0.023 0.000 2.097 1298 K HA 0.313 4.632 4.320 -0.002 0.000 0.206 1298 K C 1.245 177.843 176.600 -0.002 0.000 1.049 1298 K CA 1.607 57.888 56.287 -0.011 0.000 0.933 1298 K CB -0.069 32.423 32.500 -0.014 0.000 0.717 1298 K HN 1.259 nan 8.250 nan 0.000 0.442 1299 A N 0.046 122.862 122.820 -0.007 0.000 2.609 1299 A HA 0.567 4.885 4.320 -0.002 0.000 0.291 1299 A C 0.083 177.666 177.584 -0.003 0.000 1.096 1299 A CA -0.691 51.345 52.037 -0.001 0.000 0.684 1299 A CB 1.426 20.420 19.000 -0.011 0.000 1.282 1299 A HN 0.037 nan 8.150 nan 0.000 0.412 1300 R N -0.500 120.004 120.500 0.006 0.000 2.257 1300 R HA 0.323 4.662 4.340 -0.002 0.000 0.195 1300 R C 0.188 176.485 176.300 -0.004 0.000 0.921 1300 R CA 0.635 56.743 56.100 0.014 0.000 1.069 1300 R CB 0.989 31.318 30.300 0.048 0.000 1.115 1300 R HN 0.499 nan 8.270 nan 0.000 0.571 1301 V N -0.567 119.311 119.914 -0.060 0.000 3.019 1301 V HA 0.571 4.689 4.120 -0.002 0.000 0.317 1301 V C -1.416 174.597 176.094 -0.134 0.000 1.094 1301 V CA -0.560 61.660 62.300 -0.133 0.000 1.000 1301 V CB 2.124 33.714 31.823 -0.388 0.000 1.060 1301 V HN 0.250 nan 8.190 nan 0.000 0.443 1302 C N 5.040 124.273 119.300 -0.111 0.000 3.135 1302 C HA 0.389 4.848 4.460 -0.002 0.000 0.428 1302 C C -0.934 174.050 174.990 -0.009 0.000 0.972 1302 C CA -0.980 58.007 59.018 -0.052 0.000 1.218 1302 C CB 0.146 27.882 27.740 -0.007 0.000 1.595 1302 C HN 0.958 nan 8.230 nan 0.000 0.576 1303 L N 5.165 126.392 121.223 0.006 0.000 2.349 1303 L HA 0.730 5.069 4.340 -0.002 0.000 0.275 1303 L C -0.088 176.826 176.870 0.074 0.000 1.115 1303 L CA -0.027 54.846 54.840 0.054 0.000 0.820 1303 L CB 1.324 43.428 42.059 0.076 0.000 1.135 1303 L HN 0.444 nan 8.230 nan 0.000 0.445 1304 V N 1.765 121.732 119.914 0.088 0.000 2.971 1304 V HA 0.948 5.067 4.120 -0.002 0.000 0.309 1304 V C 0.096 176.254 176.094 0.107 0.000 1.130 1304 V CA -0.146 62.207 62.300 0.090 0.000 0.964 1304 V CB 2.019 33.888 31.823 0.075 0.000 1.029 1304 V HN 0.999 nan 8.190 nan 0.000 0.427 1305 G N 1.865 110.729 108.800 0.107 0.000 2.327 1305 G HA2 0.613 4.571 3.960 -0.002 0.000 0.291 1305 G HA3 0.613 4.571 3.960 -0.002 0.000 0.291 1305 G C -0.683 174.276 174.900 0.099 0.000 1.290 1305 G CA 0.208 45.380 45.100 0.120 0.000 0.857 1305 G HN 1.333 nan 8.290 nan 0.000 0.520 1306 G N -1.434 107.426 108.800 0.100 0.000 2.690 1306 G HA2 1.037 4.996 3.960 -0.002 0.000 0.291 1306 G HA3 1.037 4.996 3.960 -0.002 0.000 0.291 1306 G C -1.079 173.890 174.900 0.115 0.000 1.403 1306 G CA -0.013 45.084 45.100 -0.005 0.000 0.864 1306 G HN 1.754 nan 8.290 nan 0.000 0.480 1307 F N -1.435 118.542 119.950 0.045 0.000 2.711 1307 F HA 0.882 5.408 4.527 -0.002 0.000 0.313 1307 F C -1.563 174.277 175.800 0.067 0.000 1.141 1307 F CA -1.154 56.887 58.000 0.069 0.000 0.941 1307 F CB 2.230 41.318 39.000 0.146 0.000 1.349 1307 F HN 0.531 nan 8.300 nan 0.000 0.464 1308 D N -0.068 120.564 120.400 0.387 0.000 2.884 1308 D HA 0.261 4.900 4.640 -0.002 0.000 0.255 1308 D C -2.167 174.327 176.300 0.323 0.000 1.142 1308 D CA -0.284 53.892 54.000 0.292 0.000 0.726 1308 D CB 2.174 43.041 40.800 0.111 0.000 1.436 1308 D HN 0.717 nan 8.370 nan 0.000 0.441 1309 D N -0.249 120.342 120.400 0.318 0.000 2.449 1309 D HA 0.540 5.178 4.640 -0.002 0.000 0.250 1309 D C -1.101 175.421 176.300 0.370 0.000 1.050 1309 D CA -0.446 53.777 54.000 0.371 0.000 1.024 1309 D CB 1.173 42.184 40.800 0.352 0.000 1.218 1309 D HN 0.163 nan 8.370 nan 0.000 0.566 1310 F N 1.422 121.551 119.950 0.298 0.000 2.427 1310 F HA 0.418 4.944 4.527 -0.002 0.000 0.346 1310 F C -0.559 175.363 175.800 0.204 0.000 1.120 1310 F CA -0.199 57.948 58.000 0.246 0.000 1.033 1310 F CB 0.863 40.028 39.000 0.275 0.000 1.126 1310 F HN 0.041 nan 8.300 nan 0.000 0.462 1311 Q N 4.673 124.013 119.800 -0.767 0.000 2.379 1311 Q HA 0.095 4.434 4.340 -0.002 0.000 0.278 1311 Q C 0.552 176.010 176.000 -0.902 0.000 1.068 1311 Q CA -0.517 54.924 55.803 -0.602 0.000 0.816 1311 Q CB 2.235 30.821 28.738 -0.253 0.000 1.387 1311 Q HN 0.940 nan 8.270 nan 0.000 0.413 1312 E N 1.872 121.541 120.200 -0.885 0.000 2.097 1312 E HA -0.248 4.101 4.350 -0.002 0.000 0.196 1312 E C 0.693 176.970 176.600 -0.538 0.000 1.000 1312 E CA 1.856 57.602 56.400 -1.090 0.000 0.804 1312 E CB 0.449 29.578 29.700 -0.951 0.000 0.740 1312 E HN 0.532 nan 8.360 nan 0.000 0.454 1313 E N -0.281 119.688 120.200 -0.386 0.000 2.107 1313 E HA -0.094 4.255 4.350 -0.002 0.000 0.191 1313 E C 2.198 178.674 176.600 -0.207 0.000 0.982 1313 E CA 0.942 57.188 56.400 -0.257 0.000 0.809 1313 E CB -0.391 29.176 29.700 -0.221 0.000 0.756 1313 E HN 0.416 nan 8.360 nan 0.000 0.459 1314 G N 1.549 110.203 108.800 -0.243 0.000 2.433 1314 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.216 1314 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.216 1314 G C 1.758 176.624 174.900 -0.056 0.000 1.186 1314 G CA 1.114 46.092 45.100 -0.203 0.000 0.779 1314 G HN 0.345 nan 8.290 nan 0.000 0.543 1315 S N -0.671 115.002 115.700 -0.046 0.000 2.374 1315 S HA -0.213 4.255 4.470 -0.002 0.000 0.227 1315 S C 2.105 176.943 174.600 0.397 0.000 1.037 1315 S CA 1.745 60.083 58.200 0.230 0.000 1.024 1315 S CB -0.477 62.831 63.200 0.179 0.000 0.861 1315 S HN 0.486 nan 8.310 nan 0.000 0.456 1316 Y N 1.454 121.820 120.300 0.109 0.000 2.242 1316 Y HA -0.058 4.491 4.550 -0.002 0.000 0.291 1316 Y C 2.414 178.311 175.900 -0.005 0.000 1.137 1316 Y CA 2.033 60.091 58.100 -0.070 0.000 1.181 1316 Y CB -0.217 37.981 38.460 -0.437 0.000 0.989 1316 Y HN 0.253 nan 8.280 nan 0.000 0.527 1317 E N -0.162 120.079 120.200 0.070 0.000 2.072 1317 E HA -0.149 4.200 4.350 -0.002 0.000 0.190 1317 E C 1.970 178.528 176.600 -0.069 0.000 0.982 1317 E CA 1.406 57.770 56.400 -0.060 0.000 0.803 1317 E CB -0.693 28.878 29.700 -0.215 0.000 0.755 1317 E HN 0.548 nan 8.360 nan 0.000 0.453 1318 F N 0.387 120.355 119.950 0.030 0.000 2.126 1318 F HA -0.228 4.297 4.527 -0.002 0.000 0.299 1318 F C 2.277 178.092 175.800 0.026 0.000 1.096 1318 F CA 0.878 58.906 58.000 0.047 0.000 1.255 1318 F CB -0.296 38.734 39.000 0.050 0.000 0.997 1318 F HN 0.095 nan 8.300 nan 0.000 0.479 1319 A N 0.377 123.325 122.820 0.213 0.000 1.908 1319 A HA -0.271 4.047 4.320 -0.002 0.000 0.218 1319 A C 1.804 179.412 177.584 0.040 0.000 1.181 1319 A CA 2.293 54.393 52.037 0.105 0.000 0.627 1319 A CB -1.023 18.091 19.000 0.191 0.000 0.818 1319 A HN 0.438 nan 8.150 nan 0.000 0.445 1320 N N -0.613 118.081 118.700 -0.010 0.000 2.289 1320 N HA -0.064 4.675 4.740 -0.002 0.000 0.184 1320 N C 1.690 177.225 175.510 0.042 0.000 1.016 1320 N CA 1.633 54.672 53.050 -0.018 0.000 0.872 1320 N CB -0.238 38.226 38.487 -0.038 0.000 0.973 1320 N HN 0.540 nan 8.380 nan 0.000 0.433 1321 M N -1.938 117.721 119.600 0.098 0.000 2.334 1321 M HA 0.172 4.651 4.480 -0.002 0.000 0.266 1321 M C 1.154 177.541 176.300 0.145 0.000 1.082 1321 M CA 0.971 56.361 55.300 0.150 0.000 1.141 1321 M CB 0.229 32.984 32.600 0.259 0.000 1.380 1321 M HN 0.275 nan 8.290 nan 0.000 0.440 1322 G N -0.080 108.798 108.800 0.131 0.000 2.148 1322 G HA2 -0.173 3.785 3.960 -0.002 0.000 0.203 1322 G HA3 -0.173 3.785 3.960 -0.002 0.000 0.203 1322 G C 0.800 175.759 174.900 0.098 0.000 0.993 1322 G CA 0.349 45.499 45.100 0.084 0.000 0.661 1322 G HN 0.506 nan 8.290 nan 0.000 0.518 1323 A N -0.119 122.808 122.820 0.177 0.000 1.878 1323 A HA 0.437 4.756 4.320 -0.002 0.000 0.213 1323 A C 1.874 179.390 177.584 -0.114 0.000 1.192 1323 A CA 2.248 54.427 52.037 0.236 0.000 0.619 1323 A CB -0.717 18.648 19.000 0.609 0.000 0.837 1323 A HN 1.542 nan 8.150 nan 0.000 0.446 1324 T N -0.020 114.293 114.554 -0.400 0.000 2.766 1324 T HA 0.416 4.765 4.350 -0.002 0.000 0.295 1324 T C 0.352 174.858 174.700 -0.324 0.000 1.024 1324 T CA 0.041 61.733 62.100 -0.679 0.000 1.018 1324 T CB 0.746 69.279 68.868 -0.557 0.000 1.002 1324 T HN 0.588 nan 8.240 nan 0.000 0.532 1325 S N 0.959 116.476 115.700 -0.304 0.000 2.480 1325 S HA 0.276 4.745 4.470 -0.002 0.000 0.286 1325 S C -0.009 174.481 174.600 -0.183 0.000 1.180 1325 S CA -1.078 57.009 58.200 -0.188 0.000 1.075 1325 S CB 0.584 63.689 63.200 -0.158 0.000 0.996 1325 S HN 0.720 nan 8.310 nan 0.000 0.487 1326 N N 2.234 120.847 118.700 -0.145 0.000 2.406 1326 N HA 0.159 4.897 4.740 -0.002 0.000 0.269 1326 N C 1.257 176.694 175.510 -0.122 0.000 1.210 1326 N CA 0.190 53.157 53.050 -0.138 0.000 0.966 1326 N CB 0.739 39.167 38.487 -0.098 0.000 1.293 1326 N HN 0.794 nan 8.380 nan 0.000 0.491 1327 A N 5.041 127.786 122.820 -0.125 0.000 1.892 1327 A HA -0.211 4.107 4.320 -0.002 0.000 0.218 1327 A C 2.118 179.764 177.584 0.104 0.000 1.188 1327 A CA 1.513 53.506 52.037 -0.074 0.000 0.631 1327 A CB -0.349 18.667 19.000 0.026 0.000 0.822 1327 A HN 0.737 nan 8.150 nan 0.000 0.447 1328 K N -0.630 119.842 120.400 0.119 0.000 2.063 1328 K HA -0.185 4.134 4.320 -0.002 0.000 0.208 1328 K C 2.045 178.699 176.600 0.089 0.000 1.048 1328 K CA 1.824 58.196 56.287 0.142 0.000 0.928 1328 K CB -0.151 32.366 32.500 0.028 0.000 0.713 1328 K HN 0.662 nan 8.250 nan 0.000 0.442 1329 E N 0.012 120.216 120.200 0.007 0.000 2.107 1329 E HA -0.139 4.210 4.350 -0.002 0.000 0.191 1329 E C 1.845 178.415 176.600 -0.050 0.000 0.982 1329 E CA 0.675 57.059 56.400 -0.028 0.000 0.809 1329 E CB 0.166 29.836 29.700 -0.050 0.000 0.756 1329 E HN 0.308 nan 8.360 nan 0.000 0.459 1330 E N -0.005 120.140 120.200 -0.091 0.000 2.152 1330 E HA -0.107 4.241 4.350 -0.002 0.000 0.192 1330 E C 1.712 178.203 176.600 -0.182 0.000 0.983 1330 E CA 0.482 56.785 56.400 -0.163 0.000 0.818 1330 E CB -0.018 29.538 29.700 -0.240 0.000 0.758 1330 E HN 0.243 nan 8.360 nan 0.000 0.467 1331 F N 0.913 120.813 119.950 -0.084 0.000 2.216 1331 F HA -0.150 4.375 4.527 -0.003 0.000 0.300 1331 F C 2.377 178.109 175.800 -0.113 0.000 1.085 1331 F CA 0.857 58.804 58.000 -0.088 0.000 1.326 1331 F CB -0.053 38.897 39.000 -0.085 0.000 1.027 1331 F HN 0.017 nan 8.300 nan 0.000 0.497 1332 A N -0.224 122.631 122.820 0.059 0.000 2.172 1332 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 1332 A C 1.937 179.454 177.584 -0.111 0.000 1.154 1332 A CA 0.841 52.853 52.037 -0.041 0.000 0.701 1332 A CB -0.459 18.510 19.000 -0.051 0.000 0.789 1332 A HN 0.326 nan 8.150 nan 0.000 0.465 1333 R N -1.479 118.958 120.500 -0.106 0.000 2.393 1333 R HA 0.234 4.572 4.340 -0.002 0.000 0.244 1333 R C 1.120 177.328 176.300 -0.153 0.000 0.920 1333 R CA 0.481 56.499 56.100 -0.137 0.000 1.076 1333 R CB 0.140 30.377 30.300 -0.105 0.000 1.119 1333 R HN 0.595 nan 8.270 nan 0.000 0.524 1334 G N 1.822 110.523 108.800 -0.164 0.000 2.148 1334 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.254 1334 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.254 1334 G C 0.098 175.012 174.900 0.023 0.000 0.981 1334 G CA -0.136 44.853 45.100 -0.184 0.000 0.670 1334 G HN 0.097 nan 8.290 nan 0.000 0.528 1335 R N 0.760 121.235 120.500 -0.041 0.000 2.679 1335 R HA 0.490 4.829 4.340 -0.002 0.000 0.269 1335 R C 0.567 176.796 176.300 -0.119 0.000 1.076 1335 R CA 0.023 56.078 56.100 -0.075 0.000 1.160 1335 R CB 0.373 30.569 30.300 -0.174 0.000 1.054 1335 R HN 0.606 nan 8.270 nan 0.000 0.507 1336 E N 1.901 122.049 120.200 -0.086 0.000 2.221 1336 E HA 0.323 4.672 4.350 -0.002 0.000 0.268 1336 E C -2.340 174.175 176.600 -0.143 0.000 0.933 1336 E CA -2.130 54.233 56.400 -0.062 0.000 0.809 1336 E CB 1.466 31.185 29.700 0.033 0.000 1.190 1336 E HN 0.173 nan 8.360 nan 0.000 0.406 1337 P HA -0.039 nan 4.420 nan 0.000 0.260 1337 P C 0.502 177.786 177.300 -0.026 0.000 1.207 1337 P CA 1.041 64.085 63.100 -0.094 0.000 0.780 1337 P CB 0.263 31.969 31.700 0.010 0.000 0.789 1338 G N 3.568 112.356 108.800 -0.020 0.000 2.561 1338 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.203 1338 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.203 1338 G C 1.095 176.033 174.900 0.064 0.000 1.101 1338 G CA 0.131 45.265 45.100 0.056 0.000 0.711 1338 G HN 0.514 nan 8.290 nan 0.000 0.511 1339 E N 0.634 120.848 120.200 0.024 0.000 2.515 1339 E HA 0.091 4.439 4.350 -0.002 0.000 0.201 1339 E C 2.423 179.014 176.600 -0.015 0.000 1.071 1339 E CA 0.714 57.124 56.400 0.017 0.000 0.880 1339 E CB -0.236 29.470 29.700 0.010 0.000 0.828 1339 E HN 0.546 nan 8.360 nan 0.000 0.540 1340 M N -0.025 119.548 119.600 -0.046 0.000 2.229 1340 M HA -0.040 4.439 4.480 -0.002 0.000 0.264 1340 M C 1.338 177.617 176.300 -0.035 0.000 1.063 1340 M CA 0.673 55.920 55.300 -0.088 0.000 1.114 1340 M CB -0.228 32.292 32.600 -0.135 0.000 1.387 1340 M HN -0.061 nan 8.290 nan 0.000 0.420 1341 S N 2.217 117.932 115.700 0.026 0.000 2.474 1341 S HA 0.363 4.831 4.470 -0.002 0.000 0.320 1341 S C -0.170 174.481 174.600 0.085 0.000 1.067 1341 S CA -0.803 57.437 58.200 0.066 0.000 1.127 1341 S CB 0.205 63.473 63.200 0.114 0.000 0.971 1341 S HN 0.392 nan 8.310 nan 0.000 0.472 1342 R N 4.252 124.770 120.500 0.029 0.000 2.443 1342 R HA 0.345 4.684 4.340 -0.002 0.000 0.287 1342 R C -2.851 173.402 176.300 -0.078 0.000 1.425 1342 R CA -1.809 54.284 56.100 -0.013 0.000 1.300 1342 R CB 0.725 31.005 30.300 -0.033 0.000 1.129 1342 R HN 0.265 nan 8.270 nan 0.000 0.577 1343 P HA -0.179 nan 4.420 nan 0.000 0.216 1343 P C 0.668 177.727 177.300 -0.402 0.000 1.154 1343 P CA 1.779 64.755 63.100 -0.207 0.000 0.865 1343 P CB 0.300 31.872 31.700 -0.213 0.000 0.789 1344 T N -5.338 108.901 114.554 -0.524 0.000 3.040 1344 T HA 0.185 4.534 4.350 -0.002 0.000 0.266 1344 T C 0.759 175.250 174.700 -0.347 0.000 1.005 1344 T CA -0.310 61.445 62.100 -0.576 0.000 0.906 1344 T CB -0.297 68.014 68.868 -0.928 0.000 1.082 1344 T HN -0.045 nan 8.240 nan 0.000 0.531 1345 S N 1.558 117.122 115.700 -0.226 0.000 2.580 1345 S HA 0.086 4.555 4.470 -0.002 0.000 0.261 1345 S C 1.599 176.138 174.600 -0.102 0.000 1.366 1345 S CA 0.105 58.228 58.200 -0.128 0.000 0.996 1345 S CB 0.446 63.601 63.200 -0.076 0.000 0.902 1345 S HN 0.404 nan 8.310 nan 0.000 0.566 1346 T N 1.897 116.414 114.554 -0.062 0.000 2.896 1346 T HA -0.043 4.305 4.350 -0.002 0.000 0.263 1346 T C 1.707 176.378 174.700 -0.047 0.000 1.050 1346 T CA 1.587 63.659 62.100 -0.046 0.000 1.140 1346 T CB -0.641 68.210 68.868 -0.029 0.000 0.877 1346 T HN 0.787 nan 8.240 nan 0.000 0.457 1347 T N 2.357 116.881 114.554 -0.049 0.000 3.160 1347 T HA 0.042 4.391 4.350 -0.002 0.000 0.257 1347 T C 0.881 175.551 174.700 -0.049 0.000 1.147 1347 T CA -0.211 61.859 62.100 -0.049 0.000 1.064 1347 T CB -0.445 68.393 68.868 -0.050 0.000 0.949 1347 T HN 0.562 nan 8.240 nan 0.000 0.526 1348 R N 2.689 123.157 120.500 -0.053 0.000 2.538 1348 R HA 0.095 4.433 4.340 -0.002 0.000 0.282 1348 R C 0.393 176.671 176.300 -0.038 0.000 1.009 1348 R CA 0.541 56.611 56.100 -0.049 0.000 1.063 1348 R CB 0.128 30.390 30.300 -0.064 0.000 0.945 1348 R HN 0.294 nan 8.270 nan 0.000 0.414 1349 N N 2.023 120.704 118.700 -0.033 0.000 2.594 1349 N HA 0.184 4.922 4.740 -0.002 0.000 0.237 1349 N C 0.100 175.602 175.510 -0.013 0.000 1.057 1349 N CA 0.370 53.403 53.050 -0.029 0.000 0.883 1349 N CB 0.513 38.973 38.487 -0.044 0.000 1.538 1349 N HN 0.671 nan 8.380 nan 0.000 0.451 1350 G N -0.624 108.165 108.800 -0.017 0.000 2.684 1350 G HA2 0.507 4.466 3.960 -0.002 0.000 0.290 1350 G HA3 0.507 4.466 3.960 -0.002 0.000 0.290 1350 G C -1.351 173.560 174.900 0.018 0.000 1.425 1350 G CA -0.982 44.114 45.100 -0.005 0.000 0.822 1350 G HN 0.258 nan 8.290 nan 0.000 0.482 1351 F N -0.545 119.386 119.950 -0.031 0.000 2.362 1351 F HA 0.869 5.395 4.527 -0.002 0.000 0.311 1351 F C 0.059 175.832 175.800 -0.044 0.000 1.161 1351 F CA -1.443 56.544 58.000 -0.022 0.000 1.085 1351 F CB 1.285 40.291 39.000 0.011 0.000 1.311 1351 F HN 0.429 nan 8.300 nan 0.000 0.524 1352 M N 2.427 122.148 119.600 0.202 0.000 2.205 1352 M HA 0.317 4.796 4.480 -0.002 0.000 0.344 1352 M C -0.674 175.725 176.300 0.166 0.000 1.085 1352 M CA -0.366 54.956 55.300 0.037 0.000 1.001 1352 M CB 0.900 33.541 32.600 0.068 0.000 1.626 1352 M HN 0.616 nan 8.290 nan 0.000 0.442 1353 E N 1.999 122.188 120.200 -0.017 0.000 2.415 1353 E HA 0.262 4.610 4.350 -0.002 0.000 0.262 1353 E C -0.954 175.699 176.600 0.088 0.000 1.038 1353 E CA 0.249 56.724 56.400 0.124 0.000 0.921 1353 E CB 0.983 30.814 29.700 0.219 0.000 0.950 1353 E HN 0.734 nan 8.360 nan 0.000 0.438 1354 S N 0.826 116.626 115.700 0.166 0.000 2.688 1354 S HA 0.430 4.899 4.470 -0.002 0.000 0.275 1354 S C -1.643 173.075 174.600 0.197 0.000 1.175 1354 S CA -0.695 57.590 58.200 0.142 0.000 0.818 1354 S CB 1.260 64.584 63.200 0.206 0.000 1.157 1354 S HN 0.494 nan 8.310 nan 0.000 0.482 1355 Q N 0.458 120.381 119.800 0.206 0.000 2.544 1355 Q HA 0.841 5.179 4.340 -0.002 0.000 0.291 1355 Q C -0.050 176.036 176.000 0.143 0.000 1.068 1355 Q CA -0.699 55.217 55.803 0.189 0.000 0.785 1355 Q CB 1.398 30.285 28.738 0.248 0.000 1.481 1355 Q HN 1.457 nan 8.270 nan 0.000 0.430 1356 G N -0.653 108.166 108.800 0.030 0.000 2.384 1356 G HA2 0.150 4.109 3.960 -0.002 0.000 0.668 1356 G HA3 0.150 4.109 3.960 -0.002 0.000 0.668 1356 G C -0.497 174.532 174.900 0.215 0.000 1.280 1356 G CA -0.530 44.554 45.100 -0.027 0.000 0.992 1356 G HN 1.587 nan 8.290 nan 0.000 0.512 1357 C N -1.303 118.189 119.300 0.319 0.000 3.235 1357 C HA 1.137 5.596 4.460 -0.002 0.000 0.351 1357 C C 0.565 175.880 174.990 0.542 0.000 1.520 1357 C CA 0.196 59.439 59.018 0.374 0.000 1.474 1357 C CB 1.422 29.400 27.740 0.397 0.000 2.019 1357 C HN 2.722 nan 8.230 nan 0.000 0.446 1358 G N -0.026 109.008 108.800 0.390 0.000 2.753 1358 G HA2 0.641 4.599 3.960 -0.002 0.000 0.297 1358 G HA3 0.641 4.599 3.960 -0.002 0.000 0.297 1358 G C -1.935 173.110 174.900 0.242 0.000 1.430 1358 G CA -0.300 45.033 45.100 0.390 0.000 1.040 1358 G HN 1.183 nan 8.290 nan 0.000 0.530 1359 V N 2.356 122.382 119.914 0.188 0.000 2.841 1359 V HA 0.674 4.793 4.120 -0.002 0.000 0.310 1359 V C -1.025 175.126 176.094 0.095 0.000 1.090 1359 V CA -0.863 61.525 62.300 0.147 0.000 0.930 1359 V CB 2.158 34.076 31.823 0.159 0.000 1.014 1359 V HN 0.886 nan 8.190 nan 0.000 0.425 1360 Q N 3.083 122.931 119.800 0.080 0.000 2.356 1360 Q HA 0.697 5.036 4.340 -0.002 0.000 0.270 1360 Q C -0.854 175.189 176.000 0.071 0.000 1.058 1360 Q CA -0.718 55.114 55.803 0.049 0.000 0.802 1360 Q CB 2.568 31.324 28.738 0.030 0.000 1.303 1360 Q HN 0.598 nan 8.270 nan 0.000 0.444 1361 V N 3.184 123.144 119.914 0.077 0.000 2.567 1361 V HA 0.703 4.822 4.120 -0.002 0.000 0.289 1361 V C -0.317 175.829 176.094 0.087 0.000 1.049 1361 V CA -0.508 61.847 62.300 0.091 0.000 0.969 1361 V CB 0.723 32.626 31.823 0.134 0.000 0.995 1361 V HN 0.801 nan 8.190 nan 0.000 0.471 1362 I N 3.944 124.557 120.570 0.071 0.000 2.730 1362 I HA 0.771 4.940 4.170 -0.002 0.000 0.298 1362 I C -0.651 175.502 176.117 0.059 0.000 1.089 1362 I CA -0.951 60.394 61.300 0.075 0.000 1.041 1362 I CB 2.361 40.411 38.000 0.083 0.000 1.235 1362 I HN 0.684 nan 8.210 nan 0.000 0.423 1363 M N 2.338 121.980 119.600 0.069 0.000 2.683 1363 M HA 0.388 4.867 4.480 -0.002 0.000 0.274 1363 M C -0.520 175.813 176.300 0.056 0.000 1.272 1363 M CA -0.716 54.619 55.300 0.058 0.000 0.833 1363 M CB 2.941 35.588 32.600 0.079 0.000 1.708 1363 M HN 0.817 nan 8.290 nan 0.000 0.463 1364 T N -0.540 114.041 114.554 0.045 0.000 2.919 1364 T HA 0.418 4.767 4.350 -0.002 0.000 0.302 1364 T C 1.009 175.740 174.700 0.051 0.000 1.031 1364 T CA -0.091 62.036 62.100 0.045 0.000 1.127 1364 T CB 1.145 70.033 68.868 0.034 0.000 0.952 1364 T HN 0.710 nan 8.240 nan 0.000 0.540 1365 A N 1.864 124.720 122.820 0.061 0.000 1.917 1365 A HA -0.191 4.128 4.320 -0.002 0.000 0.219 1365 A C 2.383 179.989 177.584 0.036 0.000 1.182 1365 A CA 1.961 54.025 52.037 0.046 0.000 0.633 1365 A CB -1.062 17.983 19.000 0.076 0.000 0.819 1365 A HN 1.019 nan 8.150 nan 0.000 0.448 1366 Q N -0.442 119.386 119.800 0.047 0.000 1.985 1366 Q HA -0.213 4.126 4.340 -0.002 0.000 0.207 1366 Q C 2.069 178.092 176.000 0.038 0.000 0.996 1366 Q CA 1.954 57.784 55.803 0.044 0.000 0.851 1366 Q CB -0.421 28.345 28.738 0.047 0.000 0.921 1366 Q HN 0.575 nan 8.270 nan 0.000 0.418 1367 L N 0.510 121.756 121.223 0.039 0.000 2.127 1367 L HA -0.171 4.168 4.340 -0.002 0.000 0.211 1367 L C 2.330 179.194 176.870 -0.011 0.000 1.089 1367 L CA 1.913 56.768 54.840 0.024 0.000 0.757 1367 L CB -1.154 40.937 42.059 0.053 0.000 0.899 1367 L HN 0.429 nan 8.230 nan 0.000 0.434 1368 A N 0.245 123.077 122.820 0.021 0.000 1.858 1368 A HA -0.214 4.105 4.320 -0.002 0.000 0.216 1368 A C 2.211 179.833 177.584 0.065 0.000 1.190 1368 A CA 1.736 53.795 52.037 0.036 0.000 0.617 1368 A CB -0.726 18.301 19.000 0.046 0.000 0.827 1368 A HN 0.488 nan 8.150 nan 0.000 0.443 1369 L N -0.796 120.448 121.223 0.036 0.000 2.093 1369 L HA -0.172 4.167 4.340 -0.002 0.000 0.208 1369 L C 2.651 179.602 176.870 0.135 0.000 1.085 1369 L CA 1.700 56.576 54.840 0.060 0.000 0.755 1369 L CB -0.487 41.542 42.059 -0.050 0.000 0.904 1369 L HN 0.627 nan 8.230 nan 0.000 0.435 1370 E N 0.439 120.667 120.200 0.047 0.000 2.077 1370 E HA -0.251 4.098 4.350 -0.002 0.000 0.193 1370 E C 2.313 178.865 176.600 -0.080 0.000 0.989 1370 E CA 1.360 57.778 56.400 0.030 0.000 0.800 1370 E CB -0.024 29.701 29.700 0.041 0.000 0.746 1370 E HN 0.431 nan 8.360 nan 0.000 0.452 1371 M N -0.769 118.660 119.600 -0.285 0.000 2.099 1371 M HA 0.006 4.484 4.480 -0.002 0.000 0.262 1371 M C 1.231 177.430 176.300 -0.168 0.000 1.067 1371 M CA 1.389 56.352 55.300 -0.561 0.000 1.124 1371 M CB 0.169 32.409 32.600 -0.599 0.000 1.353 1371 M HN 0.365 nan 8.290 nan 0.000 0.410 1372 G N 1.529 110.329 108.800 -0.001 0.000 2.526 1372 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.225 1372 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.225 1372 G C -0.323 174.557 174.900 -0.033 0.000 1.120 1372 G CA -0.091 45.030 45.100 0.035 0.000 0.904 1372 G HN 0.480 nan 8.290 nan 0.000 0.498 1373 V N -2.550 117.395 119.914 0.052 0.000 2.732 1373 V HA 0.920 5.039 4.120 -0.002 0.000 0.310 1373 V C -1.688 174.390 176.094 -0.026 0.000 1.053 1373 V CA -3.026 59.240 62.300 -0.057 0.000 0.957 1373 V CB 1.785 33.580 31.823 -0.047 0.000 1.018 1373 V HN 0.099 nan 8.190 nan 0.000 0.452 1374 P HA 0.260 nan 4.420 nan 0.000 0.267 1374 P C -0.646 176.607 177.300 -0.079 0.000 1.201 1374 P CA 0.370 63.273 63.100 -0.327 0.000 0.775 1374 P CB 0.268 31.484 31.700 -0.807 0.000 0.854 1375 I N 2.087 122.636 120.570 -0.035 0.000 2.468 1375 I HA 0.179 4.348 4.170 -0.002 0.000 0.284 1375 I C 0.198 176.271 176.117 -0.074 0.000 1.038 1375 I CA -0.405 60.905 61.300 0.018 0.000 1.083 1375 I CB 1.484 39.525 38.000 0.068 0.000 1.223 1375 I HN 0.397 nan 8.210 nan 0.000 0.443 1376 Y N 4.472 124.763 120.300 -0.014 0.000 2.448 1376 Y HA 0.310 4.858 4.550 -0.002 0.000 0.289 1376 Y C 1.502 177.352 175.900 -0.082 0.000 1.114 1376 Y CA 0.436 58.509 58.100 -0.044 0.000 1.235 1376 Y CB 0.641 39.077 38.460 -0.041 0.000 1.045 1376 Y HN 0.625 nan 8.280 nan 0.000 0.554 1377 G N -0.658 108.176 108.800 0.056 0.000 2.356 1377 G HA2 0.400 4.359 3.960 -0.002 0.000 0.294 1377 G HA3 0.400 4.359 3.960 -0.002 0.000 0.294 1377 G C -1.908 172.931 174.900 -0.102 0.000 1.423 1377 G CA -1.028 44.043 45.100 -0.048 0.000 0.806 1377 G HN -0.085 nan 8.290 nan 0.000 0.527 1378 I N 0.956 121.393 120.570 -0.223 0.000 2.321 1378 I HA 0.291 4.460 4.170 -0.002 0.000 0.291 1378 I C 0.293 176.296 176.117 -0.189 0.000 0.998 1378 I CA -0.974 60.181 61.300 -0.240 0.000 1.227 1378 I CB 1.907 39.590 38.000 -0.528 0.000 1.368 1378 I HN 0.154 nan 8.210 nan 0.000 0.466 1379 V N 6.919 126.799 119.914 -0.058 0.000 2.377 1379 V HA 0.013 4.132 4.120 -0.002 0.000 0.254 1379 V C 1.339 177.399 176.094 -0.056 0.000 1.060 1379 V CA 0.362 62.614 62.300 -0.080 0.000 1.068 1379 V CB 0.227 32.047 31.823 -0.005 0.000 1.113 1379 V HN 1.003 nan 8.190 nan 0.000 0.484 1380 A N 5.224 127.952 122.820 -0.154 0.000 1.970 1380 A HA 0.266 4.585 4.320 -0.002 0.000 0.216 1380 A C 0.862 178.413 177.584 -0.055 0.000 1.170 1380 A CA 1.073 53.091 52.037 -0.032 0.000 0.645 1380 A CB 0.113 19.029 19.000 -0.140 0.000 0.816 1380 A HN 0.756 nan 8.150 nan 0.000 0.447 1381 M N -1.026 118.420 119.600 -0.257 0.000 2.562 1381 M HA 0.454 4.932 4.480 -0.002 0.000 0.281 1381 M C -1.861 174.189 176.300 -0.418 0.000 1.195 1381 M CA -0.125 54.987 55.300 -0.313 0.000 0.888 1381 M CB 1.937 34.384 32.600 -0.255 0.000 1.731 1381 M HN 0.242 nan 8.290 nan 0.000 0.493 1382 T N -0.071 114.228 114.554 -0.426 0.000 2.868 1382 T HA 0.942 5.291 4.350 -0.002 0.000 0.306 1382 T C -1.057 173.546 174.700 -0.162 0.000 1.224 1382 T CA -0.222 61.696 62.100 -0.303 0.000 1.012 1382 T CB 1.776 70.439 68.868 -0.343 0.000 1.221 1382 T HN 1.170 nan 8.240 nan 0.000 0.499 1383 S N -0.131 115.493 115.700 -0.128 0.000 2.586 1383 S HA 0.717 5.185 4.470 -0.002 0.000 0.277 1383 S C -0.757 173.783 174.600 -0.100 0.000 1.131 1383 S CA -0.864 57.287 58.200 -0.081 0.000 0.848 1383 S CB 1.119 64.279 63.200 -0.067 0.000 1.091 1383 S HN 1.502 nan 8.310 nan 0.000 0.453 1384 T N -1.359 113.151 114.554 -0.073 0.000 2.885 1384 T HA 0.919 5.267 4.350 -0.002 0.000 0.285 1384 T C -0.381 174.275 174.700 -0.073 0.000 1.019 1384 T CA -0.658 61.390 62.100 -0.087 0.000 1.010 1384 T CB 1.591 70.421 68.868 -0.062 0.000 1.022 1384 T HN 1.866 nan 8.240 nan 0.000 0.466 1385 A N 2.032 124.800 122.820 -0.086 0.000 2.437 1385 A HA 0.706 5.025 4.320 -0.002 0.000 0.293 1385 A C -0.018 177.541 177.584 -0.041 0.000 1.038 1385 A CA -0.938 51.062 52.037 -0.062 0.000 0.708 1385 A CB 1.208 20.164 19.000 -0.074 0.000 1.251 1385 A HN 0.910 nan 8.150 nan 0.000 0.409 1386 T N 1.703 116.245 114.554 -0.020 0.000 2.918 1386 T HA 0.535 4.883 4.350 -0.002 0.000 0.283 1386 T C -0.197 174.505 174.700 0.004 0.000 1.001 1386 T CA -0.562 61.536 62.100 -0.004 0.000 1.041 1386 T CB 0.930 69.798 68.868 -0.001 0.000 1.028 1386 T HN 0.651 nan 8.240 nan 0.000 0.511 1387 D N 0.469 120.878 120.400 0.014 0.000 2.511 1387 D HA 0.280 4.919 4.640 -0.002 0.000 0.283 1387 D C 0.717 177.023 176.300 0.009 0.000 1.198 1387 D CA -0.676 53.333 54.000 0.016 0.000 1.097 1387 D CB 0.500 41.316 40.800 0.026 0.000 1.160 1387 D HN 0.593 nan 8.370 nan 0.000 0.589 1388 K N -0.211 120.194 120.400 0.008 0.000 2.440 1388 K HA 0.354 4.673 4.320 -0.002 0.000 0.252 1388 K C 0.283 176.887 176.600 0.007 0.000 1.044 1388 K CA -0.639 55.651 56.287 0.006 0.000 0.962 1388 K CB 0.258 32.760 32.500 0.004 0.000 1.269 1388 K HN 0.253 nan 8.250 nan 0.000 0.505 1389 I N 0.664 121.238 120.570 0.006 0.000 2.648 1389 I HA 0.151 4.320 4.170 -0.002 0.000 0.284 1389 I C 0.620 176.741 176.117 0.007 0.000 1.153 1389 I CA 0.643 61.947 61.300 0.007 0.000 1.426 1389 I CB 0.813 38.817 38.000 0.006 0.000 1.381 1389 I HN 0.885 nan 8.210 nan 0.000 0.571 1390 G N 5.223 114.028 108.800 0.008 0.000 2.706 1390 G HA2 0.484 4.442 3.960 -0.002 0.000 0.307 1390 G HA3 0.484 4.442 3.960 -0.002 0.000 0.307 1390 G C -0.121 174.785 174.900 0.010 0.000 1.307 1390 G CA -0.442 44.663 45.100 0.008 0.000 0.790 1390 G HN 0.412 nan 8.290 nan 0.000 0.503 1391 R N -0.755 119.751 120.500 0.011 0.000 2.556 1391 R HA 0.252 4.591 4.340 -0.002 0.000 0.276 1391 R C 0.771 177.082 176.300 0.018 0.000 0.931 1391 R CA -0.073 56.036 56.100 0.014 0.000 1.061 1391 R CB 0.620 30.927 30.300 0.013 0.000 1.432 1391 R HN 0.411 nan 8.270 nan 0.000 0.547 1392 S N 1.576 117.285 115.700 0.014 0.000 2.411 1392 S HA 0.173 4.642 4.470 -0.002 0.000 0.304 1392 S C 1.468 176.076 174.600 0.013 0.000 1.098 1392 S CA -0.311 57.898 58.200 0.014 0.000 1.068 1392 S CB 0.614 63.815 63.200 0.002 0.000 1.032 1392 S HN -0.055 nan 8.310 nan 0.000 0.511 1393 V N 7.732 127.668 119.914 0.036 0.000 2.343 1393 V HA -0.047 4.071 4.120 -0.002 0.000 0.247 1393 V C -0.872 175.232 176.094 0.017 0.000 1.051 1393 V CA 1.551 63.884 62.300 0.054 0.000 1.036 1393 V CB -1.236 30.649 31.823 0.104 0.000 0.654 1393 V HN 0.662 nan 8.190 nan 0.000 0.451 1394 P HA 0.103 nan 4.420 nan 0.000 0.236 1394 P C 0.382 177.503 177.300 -0.298 0.000 1.177 1394 P CA 0.687 63.594 63.100 -0.321 0.000 0.773 1394 P CB -0.067 31.485 31.700 -0.247 0.000 0.878 1395 A N 1.435 124.175 122.820 -0.133 0.000 2.498 1395 A HA 0.358 4.676 4.320 -0.002 0.000 0.239 1395 A C -2.182 175.346 177.584 -0.093 0.000 1.068 1395 A CA -0.664 51.312 52.037 -0.101 0.000 0.766 1395 A CB -0.920 18.050 19.000 -0.050 0.000 1.003 1395 A HN 0.049 nan 8.150 nan 0.000 0.497 1396 P HA 0.531 nan 4.420 nan 0.000 0.294 1396 P C 0.122 177.385 177.300 -0.062 0.000 1.294 1396 P CA -0.017 63.025 63.100 -0.097 0.000 0.827 1396 P CB 1.743 33.299 31.700 -0.239 0.000 0.992 1397 G N 1.372 110.186 108.800 0.023 0.000 3.108 1397 G HA2 0.370 4.329 3.960 -0.002 0.000 0.268 1397 G HA3 0.370 4.329 3.960 -0.002 0.000 0.268 1397 G C -0.668 174.287 174.900 0.093 0.000 1.361 1397 G CA -0.585 44.536 45.100 0.036 0.000 1.047 1397 G HN 0.420 nan 8.290 nan 0.000 0.540 1398 Q N 0.024 119.866 119.800 0.070 0.000 2.241 1398 Q HA 0.214 4.552 4.340 -0.002 0.000 0.296 1398 Q C 1.644 177.678 176.000 0.056 0.000 0.889 1398 Q CA -0.088 55.764 55.803 0.083 0.000 1.089 1398 Q CB 1.210 29.973 28.738 0.041 0.000 1.195 1398 Q HN 0.655 nan 8.270 nan 0.000 0.451 1399 G N 0.538 109.372 108.800 0.056 0.000 2.440 1399 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.218 1399 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.218 1399 G C 1.334 176.225 174.900 -0.015 0.000 1.154 1399 G CA 0.739 45.846 45.100 0.011 0.000 0.767 1399 G HN 0.308 nan 8.290 nan 0.000 0.552 1400 V N 1.038 120.943 119.914 -0.015 0.000 3.026 1400 V HA -0.040 4.078 4.120 -0.002 0.000 0.265 1400 V C 2.545 178.607 176.094 -0.054 0.000 1.121 1400 V CA 0.741 62.995 62.300 -0.077 0.000 1.142 1400 V CB -0.459 31.272 31.823 -0.154 0.000 0.730 1400 V HN 0.357 nan 8.190 nan 0.000 0.503 1401 L N 1.429 122.639 121.223 -0.022 0.000 2.131 1401 L HA -0.124 4.215 4.340 -0.002 0.000 0.210 1401 L C 2.455 179.283 176.870 -0.069 0.000 1.092 1401 L CA 2.109 56.925 54.840 -0.040 0.000 0.759 1401 L CB -0.427 41.613 42.059 -0.032 0.000 0.903 1401 L HN 0.658 nan 8.230 nan 0.000 0.435 1402 T N -4.812 109.705 114.554 -0.062 0.000 3.361 1402 T HA -0.043 4.306 4.350 -0.002 0.000 0.251 1402 T C 1.244 175.908 174.700 -0.060 0.000 1.131 1402 T CA 0.591 62.652 62.100 -0.065 0.000 1.001 1402 T CB -0.727 68.112 68.868 -0.047 0.000 1.003 1402 T HN 0.446 nan 8.240 nan 0.000 0.558 1403 T N -2.428 112.082 114.554 -0.072 0.000 3.163 1403 T HA 0.623 4.971 4.350 -0.002 0.000 0.252 1403 T C 1.170 175.820 174.700 -0.085 0.000 1.056 1403 T CA -0.017 62.034 62.100 -0.081 0.000 0.947 1403 T CB 0.039 68.843 68.868 -0.107 0.000 1.016 1403 T HN 0.430 nan 8.240 nan 0.000 0.554 1404 A N 1.751 124.531 122.820 -0.066 0.000 2.624 1404 A HA 0.392 4.710 4.320 -0.002 0.000 0.287 1404 A C 0.784 178.368 177.584 -0.000 0.000 1.087 1404 A CA -0.859 51.160 52.037 -0.029 0.000 0.964 1404 A CB 0.019 19.008 19.000 -0.019 0.000 1.231 1404 A HN 0.628 nan 8.150 nan 0.000 0.551 1405 R N 0.904 121.380 120.500 -0.040 0.000 2.537 1405 R HA 0.458 4.797 4.340 -0.002 0.000 0.280 1405 R C -0.344 175.993 176.300 0.062 0.000 1.058 1405 R CA 0.329 56.408 56.100 -0.034 0.000 1.057 1405 R CB 0.368 30.645 30.300 -0.038 0.000 0.973 1405 R HN 0.338 nan 8.270 nan 0.000 0.438 1406 E N 2.508 122.797 120.200 0.149 0.000 2.537 1406 E HA 0.107 4.455 4.350 -0.002 0.000 0.301 1406 E C -1.848 174.856 176.600 0.173 0.000 0.990 1406 E CA -0.733 55.761 56.400 0.156 0.000 0.828 1406 E CB 1.578 31.366 29.700 0.146 0.000 1.243 1406 E HN 0.678 nan 8.360 nan 0.000 0.414 1407 K N 2.729 123.187 120.400 0.096 0.000 2.334 1407 K HA 0.319 4.638 4.320 -0.002 0.000 0.265 1407 K C -1.147 175.479 176.600 0.043 0.000 1.039 1407 K CA -0.395 55.936 56.287 0.073 0.000 0.920 1407 K CB 1.634 34.168 32.500 0.056 0.000 1.160 1407 K HN 0.333 nan 8.250 nan 0.000 0.451 1408 S N 2.589 118.299 115.700 0.016 0.000 2.430 1408 S HA 0.383 4.851 4.470 -0.002 0.000 0.289 1408 S C 0.249 174.846 174.600 -0.006 0.000 1.143 1408 S CA -0.629 57.571 58.200 -0.001 0.000 1.067 1408 S CB 0.727 63.903 63.200 -0.040 0.000 0.964 1408 S HN 0.776 nan 8.310 nan 0.000 0.485 1409 G N 3.441 112.249 108.800 0.013 0.000 2.683 1409 G HA2 0.051 4.010 3.960 -0.002 0.000 0.260 1409 G HA3 0.051 4.010 3.960 -0.002 0.000 0.260 1409 G C 0.965 175.839 174.900 -0.044 0.000 1.238 1409 G CA -0.523 44.583 45.100 0.011 0.000 0.934 1409 G HN 0.801 nan 8.290 nan 0.000 0.534 1410 N N -0.875 117.762 118.700 -0.105 0.000 2.192 1410 N HA -0.103 4.636 4.740 -0.002 0.000 0.188 1410 N C -0.096 175.080 175.510 -0.555 0.000 1.013 1410 N CA 1.133 53.964 53.050 -0.365 0.000 0.863 1410 N CB -0.139 38.041 38.487 -0.511 0.000 0.990 1410 N HN 0.350 nan 8.380 nan 0.000 0.430 1411 F N 0.429 120.372 119.950 -0.012 0.000 2.520 1411 F HA 0.418 4.944 4.527 -0.002 0.000 0.322 1411 F C -1.994 173.793 175.800 -0.021 0.000 1.103 1411 F CA -2.484 55.506 58.000 -0.017 0.000 0.926 1411 F CB 1.114 40.101 39.000 -0.022 0.000 1.154 1411 F HN -0.267 nan 8.300 nan 0.000 0.453 1412 P HA 0.002 nan 4.420 nan 0.000 0.265 1412 P C -0.245 177.088 177.300 0.055 0.000 1.193 1412 P CA -0.093 63.054 63.100 0.078 0.000 0.765 1412 P CB 0.661 32.398 31.700 0.061 0.000 0.823 1413 S N 4.357 120.079 115.700 0.038 0.000 2.563 1413 S HA 0.015 4.483 4.470 -0.002 0.000 0.294 1413 S C -1.160 173.384 174.600 -0.092 0.000 1.279 1413 S CA -0.803 57.394 58.200 -0.005 0.000 1.069 1413 S CB -0.252 62.978 63.200 0.051 0.000 0.828 1413 S HN 0.259 nan 8.310 nan 0.000 0.497 1414 P HA -0.162 nan 4.420 nan 0.000 0.218 1414 P C 1.326 178.380 177.300 -0.409 0.000 1.154 1414 P CA 1.399 64.166 63.100 -0.553 0.000 0.872 1414 P CB -0.038 30.910 31.700 -1.253 0.000 0.790 1415 L N -1.864 119.221 121.223 -0.231 0.000 2.191 1415 L HA -0.151 4.187 4.340 -0.002 0.000 0.212 1415 L C 2.399 179.177 176.870 -0.152 0.000 1.103 1415 L CA 0.979 55.770 54.840 -0.081 0.000 0.769 1415 L CB -0.903 41.208 42.059 0.087 0.000 0.908 1415 L HN -0.035 nan 8.230 nan 0.000 0.438 1416 L N -0.637 120.583 121.223 -0.006 0.000 2.131 1416 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 1416 L C 0.848 177.719 176.870 0.002 0.000 1.092 1416 L CA 0.468 55.340 54.840 0.053 0.000 0.759 1416 L CB -0.572 41.535 42.059 0.081 0.000 0.903 1416 L HN 0.258 nan 8.230 nan 0.000 0.435 1417 D N 0.472 120.859 120.400 -0.021 0.000 2.339 1417 D HA 0.029 4.668 4.640 -0.002 0.000 0.256 1417 D C 1.096 177.399 176.300 0.004 0.000 1.214 1417 D CA 0.158 54.160 54.000 0.003 0.000 0.877 1417 D CB 0.858 41.663 40.800 0.009 0.000 1.111 1417 D HN 0.034 nan 8.370 nan 0.000 0.478 1418 I N 3.572 124.139 120.570 -0.004 0.000 2.493 1418 I HA -0.231 3.937 4.170 -0.002 0.000 0.254 1418 I C 1.619 177.722 176.117 -0.023 0.000 1.160 1418 I CA 0.936 62.219 61.300 -0.028 0.000 1.445 1418 I CB 0.186 38.181 38.000 -0.007 0.000 1.086 1418 I HN 0.453 nan 8.210 nan 0.000 0.433 1419 K N -0.261 120.140 120.400 0.002 0.000 2.097 1419 K HA -0.234 4.085 4.320 -0.002 0.000 0.205 1419 K C 2.061 178.651 176.600 -0.016 0.000 1.050 1419 K CA 1.466 57.746 56.287 -0.012 0.000 0.938 1419 K CB -0.446 32.054 32.500 0.001 0.000 0.718 1419 K HN 0.309 nan 8.250 nan 0.000 0.442 1420 Y N 2.230 122.471 120.300 -0.098 0.000 2.165 1420 Y HA -0.209 4.340 4.550 -0.002 0.000 0.286 1420 Y C 2.008 177.805 175.900 -0.172 0.000 1.155 1420 Y CA 1.458 59.491 58.100 -0.112 0.000 1.164 1420 Y CB 0.047 38.459 38.460 -0.081 0.000 0.978 1420 Y HN -0.104 nan 8.280 nan 0.000 0.513 1421 R N -0.188 120.268 120.500 -0.074 0.000 2.115 1421 R HA -0.121 4.217 4.340 -0.002 0.000 0.230 1421 R C 2.424 178.521 176.300 -0.339 0.000 1.111 1421 R CA 0.947 56.912 56.100 -0.225 0.000 0.976 1421 R CB -0.224 30.013 30.300 -0.104 0.000 0.870 1421 R HN 0.289 nan 8.270 nan 0.000 0.445 1422 R N 0.928 121.295 120.500 -0.220 0.000 2.082 1422 R HA -0.100 4.239 4.340 -0.002 0.000 0.234 1422 R C 2.226 178.364 176.300 -0.270 0.000 1.136 1422 R CA 1.472 57.455 56.100 -0.195 0.000 0.935 1422 R CB -0.399 29.831 30.300 -0.116 0.000 0.842 1422 R HN 0.228 nan 8.270 nan 0.000 0.430 1423 R N 0.407 120.735 120.500 -0.285 0.000 2.154 1423 R HA -0.200 4.139 4.340 -0.002 0.000 0.236 1423 R C 2.308 178.352 176.300 -0.427 0.000 1.121 1423 R CA 1.952 57.869 56.100 -0.306 0.000 0.915 1423 R CB -0.414 29.700 30.300 -0.311 0.000 0.856 1423 R HN 0.325 nan 8.270 nan 0.000 0.431 1424 Q N 0.367 119.757 119.800 -0.684 0.000 2.197 1424 Q HA -0.208 4.131 4.340 -0.002 0.000 0.207 1424 Q C 2.175 177.641 176.000 -0.890 0.000 0.984 1424 Q CA 1.250 56.513 55.803 -0.900 0.000 0.869 1424 Q CB -0.353 27.517 28.738 -1.446 0.000 0.906 1424 Q HN 0.281 nan 8.270 nan 0.000 0.426 1425 L N 0.936 121.698 121.223 -0.768 0.000 2.007 1425 L HA -0.109 4.229 4.340 -0.002 0.000 0.205 1425 L C 1.976 178.713 176.870 -0.222 0.000 1.073 1425 L CA 1.825 56.413 54.840 -0.418 0.000 0.744 1425 L CB -0.368 41.545 42.059 -0.243 0.000 0.898 1425 L HN 0.041 nan 8.230 nan 0.000 0.435 1426 E N -0.442 119.640 120.200 -0.196 0.000 2.268 1426 E HA -0.177 4.171 4.350 -0.002 0.000 0.195 1426 E C 2.077 178.608 176.600 -0.115 0.000 0.995 1426 E CA 0.665 56.993 56.400 -0.120 0.000 0.836 1426 E CB -0.195 29.445 29.700 -0.099 0.000 0.763 1426 E HN 0.424 nan 8.360 nan 0.000 0.491 1427 L N 1.010 122.132 121.223 -0.168 0.000 1.994 1427 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 1427 L C 1.887 178.703 176.870 -0.090 0.000 1.071 1427 L CA 1.841 56.599 54.840 -0.136 0.000 0.745 1427 L CB -0.378 41.567 42.059 -0.191 0.000 0.892 1427 L HN 0.119 nan 8.230 nan 0.000 0.431 1428 R N -0.112 120.327 120.500 -0.100 0.000 2.237 1428 R HA -0.075 4.264 4.340 -0.002 0.000 0.219 1428 R C 2.198 178.484 176.300 -0.023 0.000 1.080 1428 R CA 0.536 56.615 56.100 -0.035 0.000 0.995 1428 R CB -0.230 30.080 30.300 0.015 0.000 0.875 1428 R HN 0.512 nan 8.270 nan 0.000 0.462 1429 R N -0.024 120.455 120.500 -0.035 0.000 2.073 1429 R HA -0.050 4.289 4.340 -0.002 0.000 0.229 1429 R C 2.214 178.518 176.300 0.007 0.000 1.120 1429 R CA 0.836 56.928 56.100 -0.014 0.000 0.967 1429 R CB 0.047 30.334 30.300 -0.022 0.000 0.862 1429 R HN 0.146 nan 8.270 nan 0.000 0.436 1430 Q N 0.736 120.535 119.800 -0.002 0.000 1.990 1430 Q HA -0.216 4.123 4.340 -0.002 0.000 0.200 1430 Q C 2.011 178.034 176.000 0.039 0.000 0.980 1430 Q CA 1.467 57.279 55.803 0.015 0.000 0.832 1430 Q CB -0.325 28.412 28.738 -0.002 0.000 0.897 1430 Q HN 0.368 nan 8.270 nan 0.000 0.427 1431 Q N -0.017 119.799 119.800 0.027 0.000 2.290 1431 Q HA -0.189 4.150 4.340 -0.002 0.000 0.211 1431 Q C 1.957 178.009 176.000 0.087 0.000 0.991 1431 Q CA 1.188 57.019 55.803 0.048 0.000 0.893 1431 Q CB -0.084 28.667 28.738 0.022 0.000 0.913 1431 Q HN 0.371 nan 8.270 nan 0.000 0.428 1432 I N -0.561 120.048 120.570 0.066 0.000 2.494 1432 I HA -0.186 3.983 4.170 -0.002 0.000 0.250 1432 I C 2.350 178.582 176.117 0.191 0.000 1.112 1432 I CA 0.584 61.935 61.300 0.085 0.000 1.438 1432 I CB -0.133 37.867 38.000 0.000 0.000 1.111 1432 I HN 0.122 nan 8.210 nan 0.000 0.431 1433 K N 1.143 121.624 120.400 0.135 0.000 2.113 1433 K HA -0.277 4.042 4.320 -0.002 0.000 0.208 1433 K C 2.131 178.833 176.600 0.169 0.000 1.047 1433 K CA 2.009 58.382 56.287 0.143 0.000 0.928 1433 K CB -0.038 32.513 32.500 0.084 0.000 0.716 1433 K HN 0.481 nan 8.250 nan 0.000 0.446 1434 Q N -1.086 118.809 119.800 0.158 0.000 2.187 1434 Q HA -0.174 4.164 4.340 -0.002 0.000 0.199 1434 Q C 2.036 178.143 176.000 0.178 0.000 0.957 1434 Q CA 1.012 56.897 55.803 0.136 0.000 0.857 1434 Q CB -0.699 28.099 28.738 0.100 0.000 0.929 1434 Q HN 0.509 nan 8.270 nan 0.000 0.453 1435 W N 2.568 123.893 121.300 0.042 0.000 2.338 1435 W HA -0.174 4.485 4.660 -0.002 0.000 0.304 1435 W C 2.174 178.735 176.519 0.070 0.000 1.212 1435 W CA 2.003 59.373 57.345 0.042 0.000 1.264 1435 W CB 0.089 29.563 29.460 0.023 0.000 1.142 1435 W HN 0.087 nan 8.180 nan 0.000 0.512 1436 K N 0.401 121.048 120.400 0.412 0.000 2.020 1436 K HA -0.273 4.045 4.320 -0.002 0.000 0.212 1436 K C 1.930 178.635 176.600 0.174 0.000 1.050 1436 K CA 2.353 58.824 56.287 0.307 0.000 0.929 1436 K CB -0.400 32.332 32.500 0.388 0.000 0.714 1436 K HN 0.241 nan 8.250 nan 0.000 0.443 1437 E N -0.011 120.291 120.200 0.170 0.000 2.017 1437 E HA -0.197 4.151 4.350 -0.002 0.000 0.193 1437 E C 2.052 178.689 176.600 0.062 0.000 0.997 1437 E CA 1.448 57.935 56.400 0.145 0.000 0.804 1437 E CB -0.236 29.493 29.700 0.048 0.000 0.757 1437 E HN 0.288 nan 8.360 nan 0.000 0.448 1438 S N 0.663 116.337 115.700 -0.043 0.000 2.423 1438 S HA -0.285 4.183 4.470 -0.002 0.000 0.238 1438 S C 1.951 176.433 174.600 -0.196 0.000 1.028 1438 S CA 1.906 60.046 58.200 -0.101 0.000 1.000 1438 S CB -0.129 63.004 63.200 -0.113 0.000 0.797 1438 S HN 0.188 nan 8.310 nan 0.000 0.487 1439 E N -0.543 119.400 120.200 -0.429 0.000 2.170 1439 E HA 0.033 4.381 4.350 -0.002 0.000 0.191 1439 E C 1.531 177.981 176.600 -0.250 0.000 0.981 1439 E CA 0.959 57.045 56.400 -0.523 0.000 0.830 1439 E CB -0.462 28.573 29.700 -1.108 0.000 0.775 1439 E HN 0.758 nan 8.360 nan 0.000 0.470 1440 Y N 0.049 120.245 120.300 -0.172 0.000 2.207 1440 Y HA -0.185 4.363 4.550 -0.002 0.000 0.287 1440 Y C 2.102 177.976 175.900 -0.042 0.000 1.156 1440 Y CA 1.396 59.452 58.100 -0.073 0.000 1.182 1440 Y CB -0.274 38.154 38.460 -0.052 0.000 0.979 1440 Y HN 0.162 nan 8.280 nan 0.000 0.521 1441 L N -1.014 120.274 121.223 0.107 0.000 1.955 1441 L HA -0.274 4.065 4.340 -0.002 0.000 0.213 1441 L C 2.254 179.145 176.870 0.035 0.000 1.072 1441 L CA 1.848 56.718 54.840 0.050 0.000 0.755 1441 L CB -0.986 41.088 42.059 0.026 0.000 0.888 1441 L HN 0.273 nan 8.230 nan 0.000 0.432 1442 Y N -0.586 119.664 120.300 -0.083 0.000 2.193 1442 Y HA -0.298 4.251 4.550 -0.002 0.000 0.285 1442 Y C 2.227 178.082 175.900 -0.074 0.000 1.166 1442 Y CA 1.987 60.035 58.100 -0.086 0.000 1.181 1442 Y CB 0.013 38.402 38.460 -0.118 0.000 0.976 1442 Y HN 0.322 nan 8.280 nan 0.000 0.520 1443 L N 0.023 121.328 121.223 0.137 0.000 2.554 1443 L HA -0.032 4.306 4.340 -0.002 0.000 0.226 1443 L C 1.953 178.850 176.870 0.046 0.000 1.137 1443 L CA 0.853 55.746 54.840 0.090 0.000 0.863 1443 L CB -0.227 41.835 42.059 0.005 0.000 0.985 1443 L HN 0.229 nan 8.230 nan 0.000 0.451 1444 Q N -0.240 119.574 119.800 0.023 0.000 2.134 1444 Q HA -0.101 4.238 4.340 -0.002 0.000 0.195 1444 Q C 1.911 177.880 176.000 -0.052 0.000 0.958 1444 Q CA 1.567 57.373 55.803 0.005 0.000 0.840 1444 Q CB 0.031 28.783 28.738 0.024 0.000 0.918 1444 Q HN 0.555 nan 8.270 nan 0.000 0.467 1445 E N 0.497 120.641 120.200 -0.094 0.000 2.051 1445 E HA -0.243 4.106 4.350 -0.002 0.000 0.192 1445 E C 1.812 178.314 176.600 -0.164 0.000 0.991 1445 E CA 1.279 57.592 56.400 -0.145 0.000 0.799 1445 E CB -0.202 29.368 29.700 -0.217 0.000 0.748 1445 E HN 0.541 nan 8.360 nan 0.000 0.449 1446 E N 1.224 121.320 120.200 -0.173 0.000 2.204 1446 E HA -0.174 4.175 4.350 -0.002 0.000 0.195 1446 E C 2.052 178.542 176.600 -0.184 0.000 0.990 1446 E CA 0.826 57.136 56.400 -0.150 0.000 0.821 1446 E CB 0.168 29.838 29.700 -0.050 0.000 0.750 1446 E HN 0.049 nan 8.360 nan 0.000 0.477 1447 V N 1.425 121.243 119.914 -0.161 0.000 2.223 1447 V HA -0.272 3.846 4.120 -0.002 0.000 0.244 1447 V C 2.558 178.504 176.094 -0.246 0.000 1.045 1447 V CA 2.038 64.193 62.300 -0.242 0.000 1.000 1447 V CB -0.934 30.811 31.823 -0.130 0.000 0.635 1447 V HN 0.478 nan 8.190 nan 0.000 0.445 1448 A N -0.204 122.520 122.820 -0.159 0.000 1.972 1448 A HA -0.097 4.221 4.320 -0.002 0.000 0.219 1448 A C 2.329 179.828 177.584 -0.142 0.000 1.169 1448 A CA 1.987 53.945 52.037 -0.133 0.000 0.635 1448 A CB -0.733 18.211 19.000 -0.094 0.000 0.810 1448 A HN 0.617 nan 8.150 nan 0.000 0.446 1449 A N -0.342 122.384 122.820 -0.155 0.000 2.067 1449 A HA 0.032 4.351 4.320 -0.002 0.000 0.219 1449 A C 1.887 179.379 177.584 -0.153 0.000 1.158 1449 A CA 1.364 53.316 52.037 -0.142 0.000 0.661 1449 A CB -0.507 18.406 19.000 -0.146 0.000 0.801 1449 A HN 0.528 nan 8.150 nan 0.000 0.452 1450 I N -1.177 119.257 120.570 -0.227 0.000 3.603 1450 I HA -0.075 4.094 4.170 -0.002 0.000 0.297 1450 I C 1.918 177.909 176.117 -0.211 0.000 1.269 1450 I CA 0.442 61.582 61.300 -0.267 0.000 1.361 1450 I CB -0.025 37.667 38.000 -0.512 0.000 1.063 1450 I HN 0.211 nan 8.210 nan 0.000 0.448 1451 K N 1.068 121.359 120.400 -0.182 0.000 2.103 1451 K HA -0.055 4.263 4.320 -0.002 0.000 0.204 1451 K C 2.063 178.631 176.600 -0.053 0.000 1.052 1451 K CA 1.672 57.900 56.287 -0.097 0.000 0.945 1451 K CB -0.172 32.275 32.500 -0.089 0.000 0.722 1451 K HN 0.313 nan 8.250 nan 0.000 0.443 1452 S N 0.905 116.568 115.700 -0.063 0.000 2.603 1452 S HA -0.030 4.439 4.470 -0.002 0.000 0.220 1452 S C 1.255 175.836 174.600 -0.031 0.000 0.967 1452 S CA 0.256 58.430 58.200 -0.042 0.000 0.920 1452 S CB -0.004 63.168 63.200 -0.047 0.000 0.773 1452 S HN 0.276 nan 8.310 nan 0.000 0.529 1453 Q N 0.547 120.327 119.800 -0.033 0.000 2.188 1453 Q HA 0.308 4.646 4.340 -0.002 0.000 0.212 1453 Q C 0.117 176.124 176.000 0.012 0.000 0.846 1453 Q CA -0.179 55.616 55.803 -0.014 0.000 0.989 1453 Q CB 0.429 29.154 28.738 -0.021 0.000 1.114 1453 Q HN 0.331 nan 8.270 nan 0.000 0.488 1454 R N 0.954 121.464 120.500 0.017 0.000 2.198 1454 R HA 0.334 4.673 4.340 -0.002 0.000 0.339 1454 R C -0.650 175.665 176.300 0.026 0.000 1.020 1454 R CA -0.017 56.110 56.100 0.045 0.000 0.864 1454 R CB 0.866 31.205 30.300 0.065 0.000 1.105 1454 R HN 0.060 nan 8.270 nan 0.000 0.463 1455 S N 2.390 118.105 115.700 0.024 0.000 2.614 1455 S HA 0.026 4.495 4.470 -0.002 0.000 0.265 1455 S C 0.625 175.232 174.600 0.011 0.000 1.303 1455 S CA -0.536 57.672 58.200 0.013 0.000 1.000 1455 S CB 1.144 64.349 63.200 0.010 0.000 0.935 1455 S HN 0.584 nan 8.310 nan 0.000 0.551 1456 E N 0.698 120.901 120.200 0.005 0.000 2.442 1456 E HA -0.024 4.324 4.350 -0.002 0.000 0.195 1456 E C 1.257 177.855 176.600 -0.003 0.000 1.030 1456 E CA 0.372 56.773 56.400 0.002 0.000 0.869 1456 E CB -0.017 29.684 29.700 0.000 0.000 0.857 1456 E HN 0.725 nan 8.360 nan 0.000 0.505 1457 E N 0.414 120.612 120.200 -0.004 0.000 2.442 1457 E HA 0.028 4.377 4.350 -0.002 0.000 0.195 1457 E C -0.125 176.467 176.600 -0.014 0.000 1.030 1457 E CA 0.158 56.553 56.400 -0.008 0.000 0.869 1457 E CB 0.151 29.848 29.700 -0.006 0.000 0.857 1457 E HN 0.061 nan 8.360 nan 0.000 0.505 1458 D N 1.557 121.950 120.400 -0.011 0.000 2.264 1458 D HA 0.233 4.871 4.640 -0.002 0.000 0.249 1458 D C 0.352 176.624 176.300 -0.046 0.000 1.070 1458 D CA -0.167 53.819 54.000 -0.023 0.000 0.912 1458 D CB 1.212 42.012 40.800 0.001 0.000 1.193 1458 D HN 0.157 nan 8.370 nan 0.000 0.427 1459 G N 1.659 110.405 108.800 -0.090 0.000 2.398 1459 G HA2 0.323 4.282 3.960 -0.002 0.000 0.246 1459 G HA3 0.323 4.282 3.960 -0.002 0.000 0.246 1459 G C -2.078 172.721 174.900 -0.168 0.000 1.289 1459 G CA -0.689 44.337 45.100 -0.123 0.000 0.869 1459 G HN 0.248 nan 8.290 nan 0.000 0.543 1460 P HA 0.106 nan 4.420 nan 0.000 0.268 1460 P C -0.585 176.638 177.300 -0.128 0.000 1.208 1460 P CA 0.049 63.118 63.100 -0.052 0.000 0.777 1460 P CB 0.406 32.097 31.700 -0.015 0.000 0.875 1461 F N 1.157 121.091 119.950 -0.027 0.000 2.410 1461 F HA 0.130 4.656 4.527 -0.002 0.000 0.349 1461 F C 0.702 176.501 175.800 -0.003 0.000 1.117 1461 F CA -0.277 57.707 58.000 -0.027 0.000 1.104 1461 F CB 0.665 39.605 39.000 -0.100 0.000 1.122 1461 F HN 0.176 nan 8.300 nan 0.000 0.483 1462 D N 4.670 125.183 120.400 0.189 0.000 2.383 1462 D HA 0.016 4.655 4.640 -0.002 0.000 0.245 1462 D C 1.058 177.483 176.300 0.208 0.000 1.263 1462 D CA 0.245 54.337 54.000 0.153 0.000 0.936 1462 D CB 0.505 41.372 40.800 0.112 0.000 1.053 1462 D HN 0.669 nan 8.370 nan 0.000 0.507 1463 E N 0.838 121.131 120.200 0.155 0.000 2.070 1463 E HA -0.175 4.174 4.350 -0.002 0.000 0.197 1463 E C 1.435 178.122 176.600 0.146 0.000 1.004 1463 E CA 1.437 57.916 56.400 0.132 0.000 0.805 1463 E CB 0.118 29.856 29.700 0.065 0.000 0.744 1463 E HN 0.415 nan 8.360 nan 0.000 0.451 1464 T N 1.099 115.718 114.554 0.109 0.000 2.699 1464 T HA -0.233 4.116 4.350 -0.002 0.000 0.268 1464 T C 1.946 176.710 174.700 0.106 0.000 1.036 1464 T CA 1.419 63.575 62.100 0.092 0.000 1.147 1464 T CB -0.316 68.593 68.868 0.068 0.000 0.862 1464 T HN 0.270 nan 8.240 nan 0.000 0.446 1465 A N 0.759 123.653 122.820 0.123 0.000 1.825 1465 A HA -0.030 4.289 4.320 -0.002 0.000 0.214 1465 A C 2.100 179.774 177.584 0.151 0.000 1.206 1465 A CA 1.528 53.636 52.037 0.119 0.000 0.609 1465 A CB -1.392 17.679 19.000 0.118 0.000 0.851 1465 A HN 0.528 nan 8.150 nan 0.000 0.445 1466 Y N 0.482 120.840 120.300 0.096 0.000 2.139 1466 Y HA -0.248 4.301 4.550 -0.002 0.000 0.282 1466 Y C 2.103 178.030 175.900 0.045 0.000 1.179 1466 Y CA 1.992 60.148 58.100 0.094 0.000 1.161 1466 Y CB -0.167 38.385 38.460 0.152 0.000 0.970 1466 Y HN 0.236 nan 8.280 nan 0.000 0.511 1467 L N -0.575 120.819 121.223 0.285 0.000 2.027 1467 L HA -0.232 4.107 4.340 -0.002 0.000 0.206 1467 L C 2.644 179.564 176.870 0.084 0.000 1.074 1467 L CA 1.402 56.351 54.840 0.180 0.000 0.745 1467 L CB -0.576 41.573 42.059 0.149 0.000 0.898 1467 L HN 0.214 nan 8.230 nan 0.000 0.433 1468 R N 0.208 120.753 120.500 0.075 0.000 2.148 1468 R HA -0.228 4.111 4.340 -0.002 0.000 0.230 1468 R C 2.160 178.471 176.300 0.018 0.000 1.120 1468 R CA 2.033 58.164 56.100 0.051 0.000 0.902 1468 R CB -0.490 29.839 30.300 0.050 0.000 0.839 1468 R HN 0.378 nan 8.270 nan 0.000 0.431 1469 E N -0.173 120.017 120.200 -0.016 0.000 2.108 1469 E HA -0.263 4.086 4.350 -0.002 0.000 0.203 1469 E C 2.152 178.717 176.600 -0.058 0.000 1.022 1469 E CA 1.248 57.621 56.400 -0.046 0.000 0.823 1469 E CB -0.091 29.548 29.700 -0.100 0.000 0.744 1469 E HN 0.198 nan 8.360 nan 0.000 0.456 1470 R N -0.036 120.380 120.500 -0.139 0.000 2.092 1470 R HA -0.068 4.271 4.340 -0.002 0.000 0.231 1470 R C 2.601 178.861 176.300 -0.067 0.000 1.119 1470 R CA 1.723 57.725 56.100 -0.162 0.000 0.970 1470 R CB -1.060 29.102 30.300 -0.230 0.000 0.864 1470 R HN 0.397 nan 8.270 nan 0.000 0.440 1471 T N -0.852 113.685 114.554 -0.029 0.000 2.698 1471 T HA -0.077 4.271 4.350 -0.002 0.000 0.260 1471 T C 1.666 176.384 174.700 0.029 0.000 1.044 1471 T CA 0.946 63.029 62.100 -0.028 0.000 1.149 1471 T CB -0.345 68.594 68.868 0.119 0.000 0.864 1471 T HN 0.263 nan 8.240 nan 0.000 0.419 1472 E N 0.679 120.915 120.200 0.060 0.000 2.136 1472 E HA -0.315 4.034 4.350 -0.002 0.000 0.202 1472 E C 2.240 178.880 176.600 0.066 0.000 1.019 1472 E CA 1.692 58.130 56.400 0.063 0.000 0.819 1472 E CB -0.426 29.304 29.700 0.050 0.000 0.739 1472 E HN 0.623 nan 8.360 nan 0.000 0.458 1473 H N 0.998 120.050 119.070 -0.031 0.000 2.353 1473 H HA -0.074 4.480 4.556 -0.002 0.000 0.300 1473 H C 2.019 177.348 175.328 0.001 0.000 1.090 1473 H CA 1.472 57.505 56.048 -0.025 0.000 1.327 1473 H CB -0.070 29.661 29.762 -0.053 0.000 1.383 1473 H HN 0.169 nan 8.280 nan 0.000 0.508 1474 I N 0.779 121.460 120.570 0.184 0.000 2.361 1474 I HA -0.194 3.975 4.170 -0.002 0.000 0.251 1474 I C 2.518 178.708 176.117 0.121 0.000 1.133 1474 I CA 0.826 62.209 61.300 0.139 0.000 1.413 1474 I CB -0.199 37.673 38.000 -0.214 0.000 1.073 1474 I HN 0.190 nan 8.210 nan 0.000 0.424 1475 E N 1.215 121.461 120.200 0.076 0.000 2.017 1475 E HA -0.183 4.165 4.350 -0.002 0.000 0.193 1475 E C 2.278 178.902 176.600 0.041 0.000 0.997 1475 E CA 1.209 57.668 56.400 0.099 0.000 0.804 1475 E CB -0.294 29.465 29.700 0.099 0.000 0.757 1475 E HN 0.448 nan 8.360 nan 0.000 0.448 1476 R N 0.553 121.040 120.500 -0.022 0.000 2.097 1476 R HA -0.201 4.137 4.340 -0.002 0.000 0.236 1476 R C 2.369 178.600 176.300 -0.115 0.000 1.135 1476 R CA 1.755 57.807 56.100 -0.080 0.000 0.934 1476 R CB -0.378 29.839 30.300 -0.138 0.000 0.846 1476 R HN 0.068 nan 8.270 nan 0.000 0.431 1477 E N 0.391 120.478 120.200 -0.188 0.000 2.267 1477 E HA -0.155 4.194 4.350 -0.002 0.000 0.197 1477 E C 1.569 178.076 176.600 -0.156 0.000 0.998 1477 E CA 1.353 57.637 56.400 -0.194 0.000 0.830 1477 E CB -0.058 29.547 29.700 -0.158 0.000 0.751 1477 E HN 0.399 nan 8.360 nan 0.000 0.491 1478 A N 0.554 123.365 122.820 -0.015 0.000 1.832 1478 A HA -0.129 4.190 4.320 -0.002 0.000 0.214 1478 A C 2.182 179.742 177.584 -0.041 0.000 1.204 1478 A CA 1.540 53.584 52.037 0.012 0.000 0.606 1478 A CB -0.516 18.584 19.000 0.166 0.000 0.849 1478 A HN 0.200 nan 8.150 nan 0.000 0.445 1479 R N -0.884 119.609 120.500 -0.012 0.000 2.113 1479 R HA -0.193 4.146 4.340 -0.002 0.000 0.244 1479 R C 2.559 178.829 176.300 -0.052 0.000 1.142 1479 R CA 1.881 57.970 56.100 -0.018 0.000 0.953 1479 R CB -0.391 29.905 30.300 -0.006 0.000 0.860 1479 R HN 0.524 nan 8.270 nan 0.000 0.438 1480 R N 0.482 120.934 120.500 -0.081 0.000 2.094 1480 R HA -0.235 4.104 4.340 -0.002 0.000 0.239 1480 R C 2.265 178.494 176.300 -0.118 0.000 1.137 1480 R CA 1.943 57.983 56.100 -0.100 0.000 0.943 1480 R CB -0.139 30.083 30.300 -0.129 0.000 0.850 1480 R HN 0.111 nan 8.270 nan 0.000 0.433 1481 Q N 0.531 120.231 119.800 -0.167 0.000 2.170 1481 Q HA -0.126 4.213 4.340 -0.002 0.000 0.203 1481 Q C 1.640 177.569 176.000 -0.118 0.000 0.976 1481 Q CA 1.552 57.239 55.803 -0.193 0.000 0.858 1481 Q CB 0.022 28.561 28.738 -0.332 0.000 0.907 1481 Q HN 0.364 nan 8.270 nan 0.000 0.433 1482 E N -0.690 119.462 120.200 -0.081 0.000 1.998 1482 E HA -0.204 4.144 4.350 -0.002 0.000 0.196 1482 E C 1.823 178.407 176.600 -0.027 0.000 1.003 1482 E CA 1.047 57.424 56.400 -0.038 0.000 0.829 1482 E CB -0.298 29.392 29.700 -0.017 0.000 0.777 1482 E HN 0.407 nan 8.360 nan 0.000 0.460 1483 A N 1.531 124.334 122.820 -0.027 0.000 1.958 1483 A HA -0.287 4.032 4.320 -0.002 0.000 0.221 1483 A C 1.922 179.486 177.584 -0.033 0.000 1.178 1483 A CA 1.883 53.907 52.037 -0.022 0.000 0.642 1483 A CB -0.623 18.363 19.000 -0.024 0.000 0.816 1483 A HN 0.291 nan 8.150 nan 0.000 0.453 1484 E N -0.696 119.471 120.200 -0.054 0.000 2.072 1484 E HA -0.102 4.247 4.350 -0.002 0.000 0.191 1484 E C 2.349 178.916 176.600 -0.055 0.000 0.985 1484 E CA 0.955 57.314 56.400 -0.069 0.000 0.801 1484 E CB -0.261 29.383 29.700 -0.094 0.000 0.750 1484 E HN 0.653 nan 8.360 nan 0.000 0.452 1485 A N 1.109 123.917 122.820 -0.020 0.000 1.968 1485 A HA -0.203 4.116 4.320 -0.002 0.000 0.217 1485 A C 2.061 179.718 177.584 0.122 0.000 1.169 1485 A CA 1.103 53.175 52.037 0.059 0.000 0.638 1485 A CB -0.354 18.702 19.000 0.093 0.000 0.812 1485 A HN 0.163 nan 8.150 nan 0.000 0.446 1486 Q N -0.792 119.044 119.800 0.061 0.000 2.096 1486 Q HA -0.165 4.174 4.340 -0.002 0.000 0.204 1486 Q C 2.107 178.131 176.000 0.040 0.000 0.982 1486 Q CA 2.089 57.928 55.803 0.060 0.000 0.850 1486 Q CB -0.264 28.486 28.738 0.020 0.000 0.901 1486 Q HN 0.625 nan 8.270 nan 0.000 0.422 1487 T N 0.284 114.831 114.554 -0.013 0.000 2.652 1487 T HA -0.162 4.187 4.350 -0.002 0.000 0.267 1487 T C 1.784 176.435 174.700 -0.082 0.000 1.039 1487 T CA 1.734 63.800 62.100 -0.056 0.000 1.153 1487 T CB -0.288 68.527 68.868 -0.089 0.000 0.863 1487 T HN 0.495 nan 8.240 nan 0.000 0.428 1488 S N -0.282 115.335 115.700 -0.139 0.000 2.607 1488 S HA 0.143 4.612 4.470 -0.002 0.000 0.224 1488 S C 1.232 175.589 174.600 -0.405 0.000 0.969 1488 S CA 0.340 58.357 58.200 -0.305 0.000 0.927 1488 S CB -0.441 62.495 63.200 -0.440 0.000 0.772 1488 S HN 0.532 nan 8.310 nan 0.000 0.533 1489 F N 0.196 120.170 119.950 0.040 0.000 2.817 1489 F HA 0.441 4.967 4.527 -0.002 0.000 0.333 1489 F C 2.007 177.829 175.800 0.037 0.000 1.085 1489 F CA -0.185 57.831 58.000 0.027 0.000 1.170 1489 F CB 0.850 39.818 39.000 -0.053 0.000 1.066 1489 F HN 0.363 nan 8.300 nan 0.000 0.564 1490 G N -0.376 108.569 108.800 0.242 0.000 2.906 1490 G HA2 -0.002 3.957 3.960 -0.002 0.000 0.200 1490 G HA3 -0.002 3.957 3.960 -0.002 0.000 0.200 1490 G C 1.200 176.262 174.900 0.269 0.000 1.101 1490 G CA 0.098 45.315 45.100 0.195 0.000 0.760 1490 G HN 0.051 nan 8.290 nan 0.000 0.694 1491 N N 0.894 119.648 118.700 0.089 0.000 2.182 1491 N HA -0.019 4.720 4.740 -0.002 0.000 0.186 1491 N C 1.019 176.407 175.510 -0.203 0.000 1.036 1491 N CA 0.880 53.926 53.050 -0.006 0.000 0.850 1491 N CB 0.189 38.643 38.487 -0.055 0.000 1.010 1491 N HN 0.280 nan 8.380 nan 0.000 0.432 1492 E N 0.665 120.670 120.200 -0.324 0.000 2.496 1492 E HA 0.050 4.399 4.350 -0.002 0.000 0.200 1492 E C 0.510 176.723 176.600 -0.646 0.000 1.016 1492 E CA -0.281 55.704 56.400 -0.692 0.000 0.962 1492 E CB 0.004 29.423 29.700 -0.469 0.000 1.071 1492 E HN 0.401 nan 8.360 nan 0.000 0.457 1493 F N -0.232 119.515 119.950 -0.339 0.000 2.546 1493 F HA -0.048 4.478 4.527 -0.002 0.000 0.298 1493 F C 1.550 177.323 175.800 -0.045 0.000 1.120 1493 F CA 0.070 57.975 58.000 -0.157 0.000 1.456 1493 F CB -0.496 38.514 39.000 0.017 0.000 1.088 1493 F HN 0.125 nan 8.300 nan 0.000 0.572 1494 W N 1.377 122.301 121.300 -0.626 0.000 3.220 1494 W HA 0.354 5.012 4.660 -0.002 0.000 0.328 1494 W C 0.394 176.793 176.519 -0.200 0.000 1.205 1494 W CA -0.703 56.405 57.345 -0.394 0.000 1.773 1494 W CB -0.978 28.136 29.460 -0.576 0.000 1.086 1494 W HN -0.026 nan 8.180 nan 0.000 0.622 1495 R N 3.171 123.402 120.500 -0.447 0.000 2.435 1495 R HA -0.014 4.324 4.340 -0.002 0.000 0.325 1495 R C 0.901 177.132 176.300 -0.114 0.000 1.149 1495 R CA 0.408 56.291 56.100 -0.362 0.000 0.995 1495 R CB -0.234 29.794 30.300 -0.454 0.000 1.008 1495 R HN 0.286 nan 8.270 nan 0.000 0.470 1496 R N 2.135 122.633 120.500 -0.003 0.000 3.908 1496 R HA -0.176 4.163 4.340 -0.002 0.000 0.381 1496 R C -1.020 175.302 176.300 0.036 0.000 1.135 1496 R CA 1.087 57.197 56.100 0.015 0.000 0.990 1496 R CB -1.203 29.084 30.300 -0.021 0.000 1.557 1496 R HN 0.705 nan 8.270 nan 0.000 0.535 1497 D N 0.043 120.485 120.400 0.069 0.000 2.338 1497 D HA 0.071 4.710 4.640 -0.002 0.000 0.255 1497 D C 0.942 177.291 176.300 0.081 0.000 1.237 1497 D CA 0.802 54.852 54.000 0.083 0.000 0.883 1497 D CB 1.492 42.368 40.800 0.127 0.000 1.087 1497 D HN 0.214 nan 8.370 nan 0.000 0.485 1498 S N 3.982 119.719 115.700 0.061 0.000 2.465 1498 S HA -0.148 4.321 4.470 -0.002 0.000 0.241 1498 S C 1.245 175.883 174.600 0.063 0.000 1.000 1498 S CA 1.009 59.242 58.200 0.055 0.000 0.964 1498 S CB 0.029 63.255 63.200 0.043 0.000 0.763 1498 S HN 0.536 nan 8.310 nan 0.000 0.512 1499 R N -0.036 120.508 120.500 0.073 0.000 2.468 1499 R HA 0.440 4.778 4.340 -0.002 0.000 0.280 1499 R C -0.532 175.818 176.300 0.083 0.000 0.963 1499 R CA 0.051 56.194 56.100 0.071 0.000 1.083 1499 R CB 0.416 30.757 30.300 0.068 0.000 1.200 1499 R HN 0.380 nan 8.270 nan 0.000 0.541 1500 I N 1.093 121.720 120.570 0.094 0.000 2.529 1500 I HA 0.269 4.437 4.170 -0.002 0.000 0.284 1500 I C -0.374 175.778 176.117 0.058 0.000 1.088 1500 I CA -0.948 60.407 61.300 0.092 0.000 1.062 1500 I CB 1.983 40.078 38.000 0.159 0.000 1.218 1500 I HN -0.008 nan 8.210 nan 0.000 0.442 1501 A N 7.831 130.662 122.820 0.017 0.000 2.511 1501 A HA 0.340 4.659 4.320 -0.002 0.000 0.242 1501 A C -1.737 175.768 177.584 -0.132 0.000 1.069 1501 A CA -0.843 51.181 52.037 -0.022 0.000 0.763 1501 A CB -0.114 18.879 19.000 -0.012 0.000 1.001 1501 A HN 0.546 nan 8.150 nan 0.000 0.498 1502 P HA -0.170 nan 4.420 nan 0.000 0.218 1502 P C 1.448 178.387 177.300 -0.602 0.000 1.146 1502 P CA 0.894 63.773 63.100 -0.367 0.000 0.813 1502 P CB 0.090 31.705 31.700 -0.142 0.000 0.778 1503 L N -1.421 119.595 121.223 -0.346 0.000 1.994 1503 L HA -0.182 4.156 4.340 -0.002 0.000 0.208 1503 L C 2.772 179.457 176.870 -0.309 0.000 1.071 1503 L CA 1.492 56.148 54.840 -0.307 0.000 0.745 1503 L CB -0.463 41.483 42.059 -0.188 0.000 0.892 1503 L HN -0.123 nan 8.230 nan 0.000 0.431 1504 R N 0.036 120.399 120.500 -0.228 0.000 2.122 1504 R HA -0.195 4.144 4.340 -0.002 0.000 0.236 1504 R C 2.040 178.181 176.300 -0.264 0.000 1.129 1504 R CA 1.762 57.764 56.100 -0.164 0.000 0.925 1504 R CB -1.472 28.780 30.300 -0.080 0.000 0.850 1504 R HN 0.504 nan 8.270 nan 0.000 0.431 1505 G N 0.329 108.835 108.800 -0.490 0.000 2.721 1505 G HA2 -0.344 3.614 3.960 -0.002 0.000 0.218 1505 G HA3 -0.344 3.614 3.960 -0.002 0.000 0.218 1505 G C 1.552 175.815 174.900 -1.062 0.000 1.265 1505 G CA 2.117 46.626 45.100 -0.985 0.000 0.796 1505 G HN 0.534 nan 8.290 nan 0.000 0.620 1506 A N 0.055 122.027 122.820 -1.412 0.000 1.958 1506 A HA -0.069 4.249 4.320 -0.002 0.000 0.221 1506 A C 2.536 180.061 177.584 -0.099 0.000 1.178 1506 A CA 1.858 53.541 52.037 -0.591 0.000 0.642 1506 A CB -0.443 18.255 19.000 -0.503 0.000 0.816 1506 A HN 0.412 nan 8.150 nan 0.000 0.453 1507 L N -1.398 119.737 121.223 -0.147 0.000 2.044 1507 L HA -0.123 4.215 4.340 -0.002 0.000 0.205 1507 L C 3.116 180.068 176.870 0.136 0.000 1.075 1507 L CA 0.996 55.843 54.840 0.012 0.000 0.747 1507 L CB -0.565 41.458 42.059 -0.060 0.000 0.903 1507 L HN 0.443 nan 8.230 nan 0.000 0.435 1508 A N -0.223 122.665 122.820 0.112 0.000 2.024 1508 A HA -0.241 4.078 4.320 -0.002 0.000 0.220 1508 A C 2.301 180.057 177.584 0.286 0.000 1.164 1508 A CA 2.101 54.266 52.037 0.214 0.000 0.643 1508 A CB -0.964 18.198 19.000 0.271 0.000 0.806 1508 A HN 0.526 nan 8.150 nan 0.000 0.451 1509 T N -4.731 110.016 114.554 0.322 0.000 3.098 1509 T HA -0.126 4.222 4.350 -0.002 0.000 0.266 1509 T C 0.890 175.484 174.700 -0.176 0.000 1.145 1509 T CA 1.167 63.395 62.100 0.213 0.000 1.092 1509 T CB -0.513 68.455 68.868 0.166 0.000 0.908 1509 T HN 0.636 nan 8.240 nan 0.000 0.526 1510 W N 0.344 121.761 121.300 0.194 0.000 2.702 1510 W HA 0.563 5.222 4.660 -0.002 0.000 0.369 1510 W C 1.289 177.956 176.519 0.246 0.000 0.987 1510 W CA -0.420 57.048 57.345 0.205 0.000 1.702 1510 W CB 0.383 29.929 29.460 0.144 0.000 1.138 1510 W HN 0.316 nan 8.180 nan 0.000 0.552 1511 G N 1.779 110.772 108.800 0.321 0.000 2.248 1511 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.252 1511 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.252 1511 G C -0.731 174.318 174.900 0.249 0.000 1.085 1511 G CA -0.283 44.964 45.100 0.244 0.000 0.845 1511 G HN 0.186 nan 8.290 nan 0.000 0.494 1512 L N -0.219 121.128 121.223 0.206 0.000 2.393 1512 L HA 0.854 5.192 4.340 -0.002 0.000 0.260 1512 L C 0.680 177.606 176.870 0.093 0.000 1.002 1512 L CA -0.619 54.307 54.840 0.144 0.000 0.818 1512 L CB 2.473 44.582 42.059 0.084 0.000 1.369 1512 L HN 0.361 nan 8.230 nan 0.000 0.412 1513 T N -2.911 111.686 114.554 0.072 0.000 2.905 1513 T HA 0.515 4.864 4.350 -0.002 0.000 0.283 1513 T C 1.190 175.901 174.700 0.019 0.000 1.031 1513 T CA -0.789 61.338 62.100 0.045 0.000 1.002 1513 T CB 1.089 69.992 68.868 0.058 0.000 1.200 1513 T HN 0.443 nan 8.240 nan 0.000 0.560 1514 I N -0.054 120.517 120.570 0.001 0.000 2.423 1514 I HA -0.116 4.053 4.170 -0.002 0.000 0.254 1514 I C 1.610 177.726 176.117 -0.001 0.000 1.151 1514 I CA 1.183 62.471 61.300 -0.020 0.000 1.421 1514 I CB -0.659 37.319 38.000 -0.037 0.000 1.079 1514 I HN 0.480 nan 8.210 nan 0.000 0.431 1515 D N 1.005 121.422 120.400 0.029 0.000 2.310 1515 D HA -0.127 4.512 4.640 -0.002 0.000 0.212 1515 D C 1.657 177.991 176.300 0.056 0.000 0.965 1515 D CA 0.962 54.987 54.000 0.041 0.000 0.879 1515 D CB -0.215 40.644 40.800 0.099 0.000 0.921 1515 D HN 0.437 nan 8.370 nan 0.000 0.510 1516 D N -0.132 120.300 120.400 0.054 0.000 2.333 1516 D HA -0.051 4.588 4.640 -0.002 0.000 0.208 1516 D C 0.682 176.999 176.300 0.030 0.000 0.984 1516 D CA -0.104 53.931 54.000 0.058 0.000 0.873 1516 D CB 0.477 41.309 40.800 0.053 0.000 0.935 1516 D HN 0.130 nan 8.370 nan 0.000 0.521 1517 L N 1.739 122.966 121.223 0.006 0.000 2.600 1517 L HA 0.142 4.480 4.340 -0.002 0.000 0.278 1517 L C 1.310 178.205 176.870 0.042 0.000 1.139 1517 L CA 0.189 55.028 54.840 -0.003 0.000 0.933 1517 L CB 0.746 42.788 42.059 -0.029 0.000 1.266 1517 L HN -0.128 nan 8.230 nan 0.000 0.471 1518 G N 4.047 112.892 108.800 0.075 0.000 2.497 1518 G HA2 0.129 4.087 3.960 -0.002 0.000 0.210 1518 G HA3 0.129 4.087 3.960 -0.002 0.000 0.210 1518 G C 0.135 175.104 174.900 0.116 0.000 1.177 1518 G CA 0.121 45.288 45.100 0.111 0.000 0.822 1518 G HN 0.380 nan 8.290 nan 0.000 0.550 1519 V N 0.934 120.924 119.914 0.127 0.000 2.513 1519 V HA 0.726 4.844 4.120 -0.002 0.000 0.299 1519 V C -0.340 175.824 176.094 0.116 0.000 1.035 1519 V CA -0.796 61.573 62.300 0.114 0.000 0.889 1519 V CB 1.500 33.386 31.823 0.104 0.000 0.988 1519 V HN 0.449 nan 8.190 nan 0.000 0.440 1520 A N 3.100 125.977 122.820 0.094 0.000 2.273 1520 A HA 0.688 5.007 4.320 -0.002 0.000 0.315 1520 A C -0.042 177.576 177.584 0.056 0.000 1.256 1520 A CA -0.355 51.709 52.037 0.045 0.000 0.851 1520 A CB 1.246 20.244 19.000 -0.004 0.000 1.172 1520 A HN 0.695 nan 8.150 nan 0.000 0.508 1521 S N 2.189 117.886 115.700 -0.005 0.000 2.465 1521 S HA 0.622 5.091 4.470 -0.002 0.000 0.279 1521 S C -0.722 173.880 174.600 0.004 0.000 1.201 1521 S CA -0.174 58.029 58.200 0.006 0.000 1.053 1521 S CB -0.388 62.795 63.200 -0.029 0.000 0.953 1521 S HN 0.374 nan 8.310 nan 0.000 0.488 1522 F N 3.278 123.160 119.950 -0.114 0.000 2.397 1522 F HA 0.366 4.891 4.527 -0.002 0.000 0.331 1522 F C 1.475 177.397 175.800 0.204 0.000 1.090 1522 F CA -0.624 57.418 58.000 0.071 0.000 1.065 1522 F CB 0.865 39.940 39.000 0.125 0.000 1.184 1522 F HN 0.733 nan 8.300 nan 0.000 0.499 1523 H N 2.573 121.815 119.070 0.287 0.000 2.265 1523 H HA -0.036 4.518 4.556 -0.002 0.000 0.295 1523 H C 1.450 176.927 175.328 0.248 0.000 1.084 1523 H CA 1.333 57.500 56.048 0.199 0.000 1.261 1523 H CB -0.626 29.281 29.762 0.240 0.000 1.360 1523 H HN 0.754 nan 8.280 nan 0.000 0.487 1524 G N 0.264 109.318 108.800 0.424 0.000 2.195 1524 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.256 1524 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.256 1524 G C 0.768 175.733 174.900 0.107 0.000 0.817 1524 G CA 0.924 46.228 45.100 0.341 0.000 1.235 1524 G HN 0.781 nan 8.290 nan 0.000 0.358 1525 T N -1.529 113.029 114.554 0.006 0.000 3.163 1525 T HA 0.477 4.826 4.350 -0.002 0.000 0.252 1525 T C 1.386 176.139 174.700 0.090 0.000 1.056 1525 T CA 0.963 63.047 62.100 -0.027 0.000 0.947 1525 T CB 0.472 69.279 68.868 -0.102 0.000 1.016 1525 T HN 1.933 nan 8.240 nan 0.000 0.554 1526 S N 0.759 116.484 115.700 0.041 0.000 3.228 1526 S HA -0.192 4.277 4.470 -0.002 0.000 0.282 1526 S C 0.477 175.102 174.600 0.041 0.000 1.286 1526 S CA 1.031 59.245 58.200 0.024 0.000 1.066 1526 S CB -2.252 60.980 63.200 0.053 0.000 1.277 1526 S HN 1.196 nan 8.310 nan 0.000 0.661 1527 T N -1.047 113.545 114.554 0.064 0.000 2.899 1527 T HA 0.656 5.005 4.350 -0.002 0.000 0.284 1527 T C 1.569 176.276 174.700 0.012 0.000 1.004 1527 T CA -0.313 61.824 62.100 0.063 0.000 1.043 1527 T CB 1.519 70.447 68.868 0.100 0.000 1.013 1527 T HN 0.294 nan 8.240 nan 0.000 0.518 1528 V N 1.559 121.477 119.914 0.006 0.000 2.295 1528 V HA -0.097 4.022 4.120 -0.002 0.000 0.246 1528 V C 2.998 179.081 176.094 -0.019 0.000 1.049 1528 V CA 2.131 64.424 62.300 -0.012 0.000 1.024 1528 V CB -1.709 30.109 31.823 -0.008 0.000 0.648 1528 V HN 1.072 nan 8.190 nan 0.000 0.447 1529 A N 0.535 123.344 122.820 -0.019 0.000 1.903 1529 A HA -0.125 4.193 4.320 -0.002 0.000 0.213 1529 A C 2.054 179.599 177.584 -0.066 0.000 1.185 1529 A CA 1.393 53.408 52.037 -0.036 0.000 0.628 1529 A CB -0.831 18.146 19.000 -0.039 0.000 0.830 1529 A HN 0.590 nan 8.150 nan 0.000 0.446 1530 N N 0.180 118.839 118.700 -0.068 0.000 2.430 1530 N HA -0.159 4.580 4.740 -0.002 0.000 0.186 1530 N C 0.773 176.239 175.510 -0.074 0.000 1.032 1530 N CA 1.751 54.736 53.050 -0.109 0.000 0.893 1530 N CB -0.086 38.381 38.487 -0.032 0.000 0.957 1530 N HN 0.431 nan 8.380 nan 0.000 0.442 1531 D N -0.709 119.667 120.400 -0.040 0.000 2.324 1531 D HA -0.010 4.628 4.640 -0.002 0.000 0.212 1531 D C 1.493 177.764 176.300 -0.048 0.000 0.984 1531 D CA 0.315 54.301 54.000 -0.024 0.000 0.885 1531 D CB -0.008 40.738 40.800 -0.090 0.000 0.996 1531 D HN 0.256 nan 8.370 nan 0.000 0.505 1532 K N 0.967 121.344 120.400 -0.038 0.000 1.978 1532 K HA -0.166 4.153 4.320 -0.002 0.000 0.214 1532 K C 1.907 178.468 176.600 -0.065 0.000 1.049 1532 K CA 1.130 57.419 56.287 0.004 0.000 0.939 1532 K CB -0.141 32.392 32.500 0.056 0.000 0.721 1532 K HN -0.082 nan 8.250 nan 0.000 0.441 1533 N N 1.120 119.774 118.700 -0.077 0.000 2.037 1533 N HA -0.217 4.521 4.740 -0.002 0.000 0.196 1533 N C 1.607 177.031 175.510 -0.144 0.000 1.034 1533 N CA 1.847 54.821 53.050 -0.127 0.000 0.861 1533 N CB -0.081 38.265 38.487 -0.235 0.000 1.039 1533 N HN 0.220 nan 8.380 nan 0.000 0.427 1534 E N -0.328 119.787 120.200 -0.141 0.000 2.033 1534 E HA -0.191 4.158 4.350 -0.002 0.000 0.199 1534 E C 2.046 178.758 176.600 0.186 0.000 1.011 1534 E CA 1.619 58.052 56.400 0.055 0.000 0.815 1534 E CB -0.253 29.654 29.700 0.344 0.000 0.755 1534 E HN 0.366 nan 8.360 nan 0.000 0.451 1535 S N 0.999 116.803 115.700 0.174 0.000 2.369 1535 S HA -0.243 4.226 4.470 -0.002 0.000 0.225 1535 S C 1.690 176.068 174.600 -0.370 0.000 1.043 1535 S CA 1.620 59.739 58.200 -0.135 0.000 1.074 1535 S CB -0.541 62.166 63.200 -0.821 0.000 0.962 1535 S HN 0.302 nan 8.310 nan 0.000 0.433 1536 D N 0.795 120.905 120.400 -0.484 0.000 2.149 1536 D HA -0.115 4.524 4.640 -0.002 0.000 0.194 1536 D C 1.836 178.169 176.300 0.056 0.000 1.001 1536 D CA 1.059 55.058 54.000 -0.001 0.000 0.849 1536 D CB -0.362 40.526 40.800 0.146 0.000 0.939 1536 D HN 0.220 nan 8.370 nan 0.000 0.449 1537 V N 0.551 120.480 119.914 0.026 0.000 2.239 1537 V HA -0.167 3.952 4.120 -0.002 0.000 0.242 1537 V C 2.715 178.822 176.094 0.021 0.000 1.038 1537 V CA 1.210 63.537 62.300 0.046 0.000 1.002 1537 V CB -0.386 31.498 31.823 0.102 0.000 0.641 1537 V HN 0.252 nan 8.190 nan 0.000 0.449 1538 I N -0.650 119.924 120.570 0.007 0.000 2.315 1538 I HA -0.359 3.810 4.170 -0.002 0.000 0.251 1538 I C 2.569 178.688 176.117 0.002 0.000 1.125 1538 I CA 1.643 62.924 61.300 -0.032 0.000 1.392 1538 I CB -0.204 37.731 38.000 -0.107 0.000 1.065 1538 I HN 0.496 nan 8.210 nan 0.000 0.424 1539 C N 0.439 119.775 119.300 0.060 0.000 2.496 1539 C HA -0.173 4.286 4.460 -0.002 0.000 0.281 1539 C C 2.816 177.801 174.990 -0.009 0.000 1.250 1539 C CA 1.019 60.096 59.018 0.097 0.000 1.717 1539 C CB -0.947 26.979 27.740 0.309 0.000 2.082 1539 C HN 0.480 nan 8.230 nan 0.000 0.472 1540 Q N -0.159 119.668 119.800 0.044 0.000 2.133 1540 Q HA -0.293 4.046 4.340 -0.002 0.000 0.208 1540 Q C 2.281 178.261 176.000 -0.033 0.000 0.991 1540 Q CA 1.959 57.769 55.803 0.012 0.000 0.867 1540 Q CB -0.324 28.430 28.738 0.027 0.000 0.911 1540 Q HN 0.741 nan 8.270 nan 0.000 0.417 1541 Q N 0.347 120.120 119.800 -0.045 0.000 1.956 1541 Q HA -0.204 4.134 4.340 -0.002 0.000 0.208 1541 Q C 2.307 178.252 176.000 -0.092 0.000 0.998 1541 Q CA 1.480 57.249 55.803 -0.057 0.000 0.855 1541 Q CB -0.313 28.384 28.738 -0.068 0.000 0.928 1541 Q HN 0.407 nan 8.270 nan 0.000 0.418 1542 L N 0.736 121.858 121.223 -0.169 0.000 2.013 1542 L HA -0.269 4.070 4.340 -0.002 0.000 0.212 1542 L C 2.704 179.331 176.870 -0.405 0.000 1.073 1542 L CA 1.406 56.081 54.840 -0.276 0.000 0.753 1542 L CB -0.663 41.186 42.059 -0.350 0.000 0.890 1542 L HN 0.280 nan 8.230 nan 0.000 0.432 1543 K N 0.106 120.178 120.400 -0.547 0.000 1.969 1543 K HA -0.307 4.012 4.320 -0.002 0.000 0.216 1543 K C 2.209 178.730 176.600 -0.133 0.000 1.048 1543 K CA 2.349 58.378 56.287 -0.431 0.000 0.948 1543 K CB -0.429 31.930 32.500 -0.236 0.000 0.726 1543 K HN 0.350 nan 8.250 nan 0.000 0.442 1544 H N 0.471 119.462 119.070 -0.131 0.000 2.460 1544 H HA -0.066 4.489 4.556 -0.002 0.000 0.297 1544 H C 1.963 177.250 175.328 -0.068 0.000 1.103 1544 H CA 1.628 57.632 56.048 -0.073 0.000 1.292 1544 H CB -0.021 29.709 29.762 -0.054 0.000 1.376 1544 H HN 0.206 nan 8.280 nan 0.000 0.531 1545 L N -1.220 119.966 121.223 -0.061 0.000 2.217 1545 L HA 0.040 4.379 4.340 -0.002 0.000 0.211 1545 L C 1.859 178.657 176.870 -0.120 0.000 1.107 1545 L CA 1.302 56.083 54.840 -0.097 0.000 0.783 1545 L CB -0.088 41.943 42.059 -0.047 0.000 0.919 1545 L HN 0.771 nan 8.230 nan 0.000 0.442 1546 G N -0.515 108.221 108.800 -0.107 0.000 2.318 1546 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.172 1546 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.172 1546 G C 0.341 175.238 174.900 -0.005 0.000 1.002 1546 G CA -0.190 44.877 45.100 -0.056 0.000 0.697 1546 G HN 0.199 nan 8.290 nan 0.000 0.483 1547 R N 2.552 123.031 120.500 -0.035 0.000 2.560 1547 R HA 0.226 4.565 4.340 -0.002 0.000 0.296 1547 R C 1.108 177.515 176.300 0.179 0.000 0.873 1547 R CA 1.303 57.423 56.100 0.035 0.000 1.140 1547 R CB -0.165 30.100 30.300 -0.059 0.000 0.875 1547 R HN 0.511 nan 8.270 nan 0.000 0.419 1548 T N 2.825 117.452 114.554 0.123 0.000 2.814 1548 T HA 0.185 4.534 4.350 -0.002 0.000 0.297 1548 T C -0.038 174.702 174.700 0.066 0.000 0.956 1548 T CA -0.865 61.315 62.100 0.133 0.000 1.123 1548 T CB 0.677 69.661 68.868 0.193 0.000 0.902 1548 T HN 0.494 nan 8.240 nan 0.000 0.528 1549 K N 2.172 122.621 120.400 0.081 0.000 2.504 1549 K HA 0.232 4.551 4.320 -0.002 0.000 0.278 1549 K C 1.459 178.009 176.600 -0.082 0.000 1.025 1549 K CA 1.215 57.464 56.287 -0.063 0.000 1.093 1549 K CB -0.036 32.457 32.500 -0.012 0.000 0.873 1549 K HN 1.081 nan 8.250 nan 0.000 0.483 1550 G N 2.489 111.183 108.800 -0.178 0.000 2.238 1550 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.217 1550 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.217 1550 G C 0.005 174.806 174.900 -0.164 0.000 0.996 1550 G CA -0.118 44.963 45.100 -0.032 0.000 0.632 1550 G HN 0.612 nan 8.290 nan 0.000 0.503 1551 N N 1.617 119.986 118.700 -0.553 0.000 2.521 1551 N HA 0.648 5.386 4.740 -0.002 0.000 0.236 1551 N C 0.318 175.726 175.510 -0.169 0.000 1.067 1551 N CA 0.766 53.333 53.050 -0.806 0.000 0.939 1551 N CB 0.520 38.157 38.487 -1.417 0.000 1.201 1551 N HN 0.791 nan 8.380 nan 0.000 0.511 1552 A N 2.350 125.264 122.820 0.156 0.000 2.279 1552 A HA 0.570 4.888 4.320 -0.002 0.000 0.303 1552 A C -0.184 177.503 177.584 0.171 0.000 1.108 1552 A CA -0.697 51.443 52.037 0.173 0.000 0.830 1552 A CB 0.605 19.682 19.000 0.130 0.000 1.106 1552 A HN 0.500 nan 8.150 nan 0.000 0.493 1553 V N 0.411 120.396 119.914 0.119 0.000 2.439 1553 V HA 0.431 4.550 4.120 -0.002 0.000 0.282 1553 V C 0.177 176.311 176.094 0.068 0.000 1.039 1553 V CA -0.812 61.552 62.300 0.106 0.000 0.913 1553 V CB 0.672 32.558 31.823 0.105 0.000 0.983 1553 V HN 0.689 nan 8.190 nan 0.000 0.460 1554 L N 4.559 125.832 121.223 0.084 0.000 2.477 1554 L HA 0.367 4.705 4.340 -0.002 0.000 0.272 1554 L C 1.022 177.900 176.870 0.014 0.000 1.157 1554 L CA 0.597 55.463 54.840 0.043 0.000 0.889 1554 L CB 0.504 42.602 42.059 0.066 0.000 1.158 1554 L HN 0.991 nan 8.230 nan 0.000 0.473 1555 G N 5.704 114.462 108.800 -0.071 0.000 2.335 1555 G HA2 0.575 4.534 3.960 -0.002 0.000 0.314 1555 G HA3 0.575 4.534 3.960 -0.002 0.000 0.314 1555 G C -0.402 174.266 174.900 -0.386 0.000 1.129 1555 G CA -0.495 44.492 45.100 -0.190 0.000 0.912 1555 G HN 0.483 nan 8.290 nan 0.000 0.443 1556 I N 1.133 121.469 120.570 -0.390 0.000 2.525 1556 I HA 0.449 4.617 4.170 -0.002 0.000 0.301 1556 I C -0.877 174.907 176.117 -0.555 0.000 0.992 1556 I CA -0.736 60.383 61.300 -0.302 0.000 1.162 1556 I CB 2.029 40.002 38.000 -0.046 0.000 1.332 1556 I HN 0.339 nan 8.210 nan 0.000 0.458 1557 F N 3.960 124.056 119.950 0.242 0.000 2.769 1557 F HA 0.268 4.794 4.527 -0.002 0.000 0.358 1557 F C 1.103 177.063 175.800 0.266 0.000 1.285 1557 F CA -0.460 57.686 58.000 0.244 0.000 1.199 1557 F CB 0.716 39.835 39.000 0.198 0.000 1.558 1557 F HN 0.469 nan 8.300 nan 0.000 0.583 1558 Q N 1.045 121.002 119.800 0.261 0.000 2.291 1558 Q HA -0.152 4.187 4.340 -0.002 0.000 0.206 1558 Q C 1.749 177.757 176.000 0.014 0.000 0.976 1558 Q CA 1.170 57.031 55.803 0.096 0.000 0.875 1558 Q CB 0.311 29.108 28.738 0.099 0.000 0.927 1558 Q HN 0.322 nan 8.270 nan 0.000 0.450 1559 K N 0.109 120.590 120.400 0.136 0.000 2.211 1559 K HA -0.200 4.118 4.320 -0.002 0.000 0.204 1559 K C 1.821 178.492 176.600 0.118 0.000 1.047 1559 K CA 1.310 57.665 56.287 0.114 0.000 0.935 1559 K CB -0.782 31.770 32.500 0.087 0.000 0.728 1559 K HN 0.529 nan 8.250 nan 0.000 0.452 1560 Y N -0.397 119.986 120.300 0.138 0.000 2.241 1560 Y HA -0.132 4.416 4.550 -0.002 0.000 0.286 1560 Y C 1.873 177.848 175.900 0.124 0.000 1.166 1560 Y CA 1.084 59.247 58.100 0.104 0.000 1.203 1560 Y CB -0.525 37.984 38.460 0.082 0.000 0.977 1560 Y HN -0.017 nan 8.280 nan 0.000 0.529 1561 L N -0.018 120.846 121.223 -0.600 0.000 2.316 1561 L HA 0.001 4.340 4.340 -0.002 0.000 0.207 1561 L C 2.029 178.968 176.870 0.116 0.000 1.070 1561 L CA 1.494 56.084 54.840 -0.417 0.000 0.820 1561 L CB -0.215 41.300 42.059 -0.908 0.000 0.992 1561 L HN 0.518 nan 8.230 nan 0.000 0.466 1562 T N -3.303 111.311 114.554 0.100 0.000 3.014 1562 T HA 0.348 4.697 4.350 -0.002 0.000 0.250 1562 T C 1.033 175.916 174.700 0.306 0.000 1.060 1562 T CA 0.361 62.630 62.100 0.282 0.000 1.040 1562 T CB 0.364 69.453 68.868 0.368 0.000 0.971 1562 T HN 0.463 nan 8.240 nan 0.000 0.497 1563 G N 1.473 110.405 108.800 0.220 0.000 2.855 1563 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.352 1563 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.352 1563 G C -0.768 174.285 174.900 0.255 0.000 1.415 1563 G CA -0.316 44.914 45.100 0.217 0.000 0.871 1563 G HN 0.829 nan 8.290 nan 0.000 0.543 1564 H N 1.632 120.777 119.070 0.124 0.000 2.661 1564 H HA 0.554 5.108 4.556 -0.002 0.000 0.290 1564 H C -2.104 173.191 175.328 -0.054 0.000 1.082 1564 H CA -2.454 53.589 56.048 -0.007 0.000 1.234 1564 H CB 1.336 31.056 29.762 -0.071 0.000 1.387 1564 H HN 0.237 nan 8.280 nan 0.000 0.476 1565 P HA 0.120 nan 4.420 nan 0.000 0.214 1565 P C 0.361 177.675 177.300 0.024 0.000 1.826 1565 P CA -0.265 62.779 63.100 -0.093 0.000 0.977 1565 P CB -0.040 31.223 31.700 -0.729 0.000 1.930 1566 K N 0.186 120.637 120.400 0.086 0.000 6.280 1566 K HA -0.334 3.985 4.320 -0.002 0.000 0.381 1566 K C 1.898 178.569 176.600 0.118 0.000 0.627 1566 K CA 2.376 58.650 56.287 -0.022 0.000 1.297 1566 K CB -2.216 30.302 32.500 0.030 0.000 0.809 1566 K HN 0.387 nan 8.250 nan 0.000 0.885 1567 G N -0.301 108.503 108.800 0.007 0.000 2.411 1567 G HA2 0.085 4.044 3.960 -0.002 0.000 0.213 1567 G HA3 0.085 4.044 3.960 -0.002 0.000 0.213 1567 G C 1.369 176.197 174.900 -0.120 0.000 1.166 1567 G CA 0.740 45.806 45.100 -0.058 0.000 0.802 1567 G HN 0.575 nan 8.290 nan 0.000 0.533 1568 A N 0.789 123.485 122.820 -0.207 0.000 2.261 1568 A HA 0.608 4.927 4.320 -0.002 0.000 0.208 1568 A C 2.408 179.689 177.584 -0.505 0.000 1.223 1568 A CA 1.287 53.124 52.037 -0.332 0.000 0.833 1568 A CB -0.416 18.336 19.000 -0.413 0.000 0.830 1568 A HN 0.563 nan 8.150 nan 0.000 0.483 1569 A N 0.257 122.877 122.820 -0.333 0.000 1.849 1569 A HA -0.010 4.309 4.320 -0.002 0.000 0.217 1569 A C 2.421 179.936 177.584 -0.116 0.000 1.202 1569 A CA 2.060 53.930 52.037 -0.279 0.000 0.629 1569 A CB -1.486 17.398 19.000 -0.193 0.000 0.834 1569 A HN 0.818 nan 8.150 nan 0.000 0.447 1570 G N -0.782 107.990 108.800 -0.046 0.000 2.469 1570 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.219 1570 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.219 1570 G C 1.757 176.675 174.900 0.031 0.000 1.150 1570 G CA 1.867 46.966 45.100 -0.001 0.000 0.763 1570 G HN 0.926 nan 8.290 nan 0.000 0.561 1571 A N 0.231 123.066 122.820 0.025 0.000 1.858 1571 A HA -0.050 4.268 4.320 -0.002 0.000 0.216 1571 A C 2.187 179.917 177.584 0.244 0.000 1.190 1571 A CA 1.737 53.843 52.037 0.114 0.000 0.617 1571 A CB -0.730 18.351 19.000 0.135 0.000 0.827 1571 A HN 0.439 nan 8.150 nan 0.000 0.443 1572 W N -0.098 121.210 121.300 0.013 0.000 2.321 1572 W HA -0.173 4.486 4.660 -0.002 0.000 0.306 1572 W C 2.514 179.024 176.519 -0.015 0.000 1.217 1572 W CA 1.310 58.658 57.345 0.005 0.000 1.257 1572 W CB -1.199 28.270 29.460 0.016 0.000 1.145 1572 W HN 0.323 nan 8.180 nan 0.000 0.509 1573 M N -0.875 118.856 119.600 0.217 0.000 2.117 1573 M HA -0.179 4.300 4.480 -0.002 0.000 0.262 1573 M C 2.181 178.476 176.300 -0.009 0.000 1.065 1573 M CA 1.360 56.715 55.300 0.092 0.000 1.114 1573 M CB -1.153 31.492 32.600 0.075 0.000 1.361 1573 M HN -0.092 nan 8.290 nan 0.000 0.408 1574 L N 1.246 122.474 121.223 0.008 0.000 2.042 1574 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 1574 L C 1.913 178.719 176.870 -0.107 0.000 1.076 1574 L CA 1.926 56.742 54.840 -0.040 0.000 0.749 1574 L CB -0.789 41.291 42.059 0.035 0.000 0.893 1574 L HN 0.259 nan 8.230 nan 0.000 0.432 1575 N N -0.048 118.621 118.700 -0.050 0.000 2.069 1575 N HA -0.138 4.601 4.740 -0.002 0.000 0.191 1575 N C 1.834 177.240 175.510 -0.173 0.000 1.031 1575 N CA 1.487 54.472 53.050 -0.108 0.000 0.852 1575 N CB -1.119 37.337 38.487 -0.052 0.000 1.018 1575 N HN 0.476 nan 8.380 nan 0.000 0.423 1576 G N 0.457 109.197 108.800 -0.100 0.000 2.476 1576 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.218 1576 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.218 1576 G C 1.811 176.571 174.900 -0.234 0.000 1.164 1576 G CA 1.235 46.294 45.100 -0.069 0.000 0.768 1576 G HN 0.395 nan 8.290 nan 0.000 0.560 1577 C N 0.353 119.404 119.300 -0.415 0.000 2.436 1577 C HA 0.073 4.532 4.460 -0.002 0.000 0.277 1577 C C 2.898 177.522 174.990 -0.610 0.000 1.241 1577 C CA 0.554 59.098 59.018 -0.789 0.000 1.721 1577 C CB -1.160 25.438 27.740 -1.904 0.000 2.043 1577 C HN 0.434 nan 8.230 nan 0.000 0.472 1578 L N 0.370 121.336 121.223 -0.430 0.000 2.189 1578 L HA -0.276 4.062 4.340 -0.002 0.000 0.214 1578 L C 2.635 179.392 176.870 -0.188 0.000 1.097 1578 L CA 1.637 56.391 54.840 -0.144 0.000 0.764 1578 L CB -0.840 41.172 42.059 -0.079 0.000 0.900 1578 L HN 0.550 nan 8.230 nan 0.000 0.436 1579 Q N -0.834 118.740 119.800 -0.377 0.000 2.096 1579 Q HA -0.107 4.232 4.340 -0.002 0.000 0.197 1579 Q C 2.400 178.046 176.000 -0.591 0.000 0.964 1579 Q CA 0.923 56.328 55.803 -0.662 0.000 0.838 1579 Q CB 0.089 28.092 28.738 -1.225 0.000 0.906 1579 Q HN 0.287 nan 8.270 nan 0.000 0.444 1580 V N 1.246 120.943 119.914 -0.362 0.000 2.287 1580 V HA -0.302 3.817 4.120 -0.002 0.000 0.248 1580 V C 2.224 178.314 176.094 -0.006 0.000 1.053 1580 V CA 1.603 63.873 62.300 -0.050 0.000 1.027 1580 V CB -0.563 31.274 31.823 0.024 0.000 0.646 1580 V HN 0.423 nan 8.190 nan 0.000 0.447 1581 L N 0.265 121.470 121.223 -0.030 0.000 2.089 1581 L HA -0.268 4.071 4.340 -0.002 0.000 0.213 1581 L C 2.249 179.121 176.870 0.003 0.000 1.079 1581 L CA 2.065 56.925 54.840 0.032 0.000 0.758 1581 L CB -0.532 41.527 42.059 0.000 0.000 0.891 1581 L HN 0.507 nan 8.230 nan 0.000 0.433 1582 N N -1.263 117.411 118.700 -0.044 0.000 2.280 1582 N HA -0.059 4.680 4.740 -0.002 0.000 0.192 1582 N C 1.211 176.761 175.510 0.067 0.000 1.109 1582 N CA 1.081 54.132 53.050 0.002 0.000 0.855 1582 N CB 0.472 38.942 38.487 -0.029 0.000 0.974 1582 N HN 0.420 nan 8.380 nan 0.000 0.482 1583 T N -5.267 109.338 114.554 0.086 0.000 2.993 1583 T HA 0.245 4.593 4.350 -0.002 0.000 0.260 1583 T C 1.256 176.068 174.700 0.186 0.000 0.939 1583 T CA 0.801 63.000 62.100 0.164 0.000 0.886 1583 T CB 0.371 69.391 68.868 0.254 0.000 1.209 1583 T HN 0.033 nan 8.240 nan 0.000 0.518 1584 G N 2.062 110.967 108.800 0.175 0.000 2.168 1584 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.263 1584 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.263 1584 G C 0.041 175.006 174.900 0.108 0.000 0.977 1584 G CA 0.440 45.636 45.100 0.159 0.000 0.659 1584 G HN 0.729 nan 8.290 nan 0.000 0.533 1585 I N 0.804 121.478 120.570 0.173 0.000 2.342 1585 I HA 0.415 4.584 4.170 -0.002 0.000 0.291 1585 I C 0.242 176.471 176.117 0.186 0.000 1.010 1585 I CA -0.878 60.514 61.300 0.154 0.000 1.308 1585 I CB 1.751 39.910 38.000 0.265 0.000 1.400 1585 I HN -0.153 nan 8.210 nan 0.000 0.488 1586 V N 8.496 128.452 119.914 0.070 0.000 2.313 1586 V HA 0.274 4.392 4.120 -0.002 0.000 0.278 1586 V C -2.162 173.955 176.094 0.039 0.000 1.017 1586 V CA -1.795 60.551 62.300 0.077 0.000 0.823 1586 V CB 1.110 32.955 31.823 0.036 0.000 1.010 1586 V HN 0.572 nan 8.190 nan 0.000 0.443 1587 P HA 0.221 nan 4.420 nan 0.000 0.269 1587 P C 0.303 177.625 177.300 0.037 0.000 1.215 1587 P CA 0.333 63.427 63.100 -0.009 0.000 0.780 1587 P CB 0.699 32.389 31.700 -0.017 0.000 0.898 1588 G N 0.941 109.746 108.800 0.008 0.000 2.434 1588 G HA2 0.225 4.184 3.960 -0.002 0.000 0.330 1588 G HA3 0.225 4.184 3.960 -0.002 0.000 0.330 1588 G C -0.647 174.221 174.900 -0.053 0.000 1.155 1588 G CA -0.769 44.334 45.100 0.004 0.000 0.917 1588 G HN 0.595 nan 8.290 nan 0.000 0.493 1589 N N 0.638 119.292 118.700 -0.078 0.000 2.663 1589 N HA 0.062 4.801 4.740 -0.002 0.000 0.250 1589 N C 1.446 176.595 175.510 -0.602 0.000 1.129 1589 N CA -0.442 52.379 53.050 -0.382 0.000 0.995 1589 N CB 0.241 38.758 38.487 0.049 0.000 1.324 1589 N HN 0.458 nan 8.380 nan 0.000 0.512 1590 R N 1.395 121.315 120.500 -0.967 0.000 2.139 1590 R HA -0.104 4.235 4.340 -0.002 0.000 0.243 1590 R C 0.587 176.673 176.300 -0.357 0.000 1.145 1590 R CA 1.263 57.056 56.100 -0.512 0.000 0.976 1590 R CB -0.008 30.081 30.300 -0.351 0.000 0.866 1590 R HN 0.547 nan 8.270 nan 0.000 0.449 1591 N N 0.181 118.636 118.700 -0.409 0.000 2.313 1591 N HA 0.059 4.798 4.740 -0.002 0.000 0.207 1591 N C -0.554 174.889 175.510 -0.111 0.000 1.141 1591 N CA 0.210 53.163 53.050 -0.161 0.000 0.830 1591 N CB 0.888 39.351 38.487 -0.040 0.000 1.008 1591 N HN 0.117 nan 8.380 nan 0.000 0.481 1592 A N 0.650 123.400 122.820 -0.117 0.000 3.048 1592 A HA 0.034 4.352 4.320 -0.002 0.000 0.264 1592 A C 1.127 178.764 177.584 0.088 0.000 1.796 1592 A CA -0.341 51.697 52.037 0.002 0.000 1.445 1592 A CB -0.316 18.760 19.000 0.127 0.000 1.074 1592 A HN 0.044 nan 8.150 nan 0.000 0.621 1593 D N 0.929 121.367 120.400 0.063 0.000 2.549 1593 D HA -0.223 4.416 4.640 -0.002 0.000 0.199 1593 D C 0.512 176.991 176.300 0.299 0.000 1.034 1593 D CA 2.151 56.253 54.000 0.171 0.000 0.880 1593 D CB 0.093 40.974 40.800 0.135 0.000 1.044 1593 D HN 0.693 nan 8.370 nan 0.000 0.469 1594 N N -1.268 117.576 118.700 0.240 0.000 2.905 1594 N HA 0.114 4.853 4.740 -0.002 0.000 0.255 1594 N C -1.645 173.881 175.510 0.026 0.000 1.199 1594 N CA -0.227 52.979 53.050 0.259 0.000 0.911 1594 N CB 1.208 39.834 38.487 0.232 0.000 1.550 1594 N HN -0.235 nan 8.380 nan 0.000 0.599 1595 V N 1.723 121.547 119.914 -0.151 0.000 2.673 1595 V HA 0.034 4.153 4.120 -0.002 0.000 0.303 1595 V C 0.800 176.842 176.094 -0.087 0.000 1.046 1595 V CA 0.005 62.148 62.300 -0.262 0.000 1.126 1595 V CB 0.480 31.993 31.823 -0.516 0.000 0.934 1595 V HN 0.648 nan 8.190 nan 0.000 0.487 1596 D N 4.100 124.459 120.400 -0.068 0.000 2.493 1596 D HA -0.015 4.624 4.640 -0.002 0.000 0.240 1596 D C 1.220 177.614 176.300 0.157 0.000 1.142 1596 D CA 0.013 54.026 54.000 0.023 0.000 0.872 1596 D CB 0.809 41.595 40.800 -0.024 0.000 1.173 1596 D HN 0.417 nan 8.370 nan 0.000 0.467 1597 K N 2.783 123.281 120.400 0.163 0.000 2.286 1597 K HA -0.101 4.218 4.320 -0.002 0.000 0.203 1597 K C 1.830 178.419 176.600 -0.018 0.000 1.045 1597 K CA 0.591 56.965 56.287 0.146 0.000 0.935 1597 K CB -0.225 32.321 32.500 0.076 0.000 0.737 1597 K HN 0.373 nan 8.250 nan 0.000 0.460 1598 V N 1.419 121.339 119.914 0.010 0.000 2.392 1598 V HA -0.242 3.877 4.120 -0.002 0.000 0.249 1598 V C 2.169 178.257 176.094 -0.010 0.000 1.059 1598 V CA 1.464 63.754 62.300 -0.017 0.000 1.051 1598 V CB -0.509 31.350 31.823 0.060 0.000 0.658 1598 V HN 0.299 nan 8.190 nan 0.000 0.455 1599 M N -0.337 119.355 119.600 0.152 0.000 2.686 1599 M HA -0.035 4.444 4.480 -0.002 0.000 0.246 1599 M C 1.907 178.295 176.300 0.147 0.000 1.096 1599 M CA 0.913 56.461 55.300 0.413 0.000 1.076 1599 M CB -1.110 31.629 32.600 0.232 0.000 1.504 1599 M HN 0.536 nan 8.290 nan 0.000 0.524 1600 E N 1.518 121.437 120.200 -0.470 0.000 2.072 1600 E HA -0.199 4.150 4.350 -0.002 0.000 0.190 1600 E C 1.999 178.237 176.600 -0.604 0.000 0.982 1600 E CA 0.880 56.616 56.400 -1.106 0.000 0.803 1600 E CB 0.076 28.908 29.700 -1.446 0.000 0.755 1600 E HN 0.681 nan 8.360 nan 0.000 0.453 1601 Q N -0.080 119.367 119.800 -0.589 0.000 2.508 1601 Q HA -0.119 4.220 4.340 -0.002 0.000 0.214 1601 Q C -0.313 175.366 176.000 -0.536 0.000 0.979 1601 Q CA 0.540 55.999 55.803 -0.573 0.000 0.911 1601 Q CB -0.199 28.153 28.738 -0.644 0.000 0.969 1601 Q HN 0.157 nan 8.270 nan 0.000 0.504 1602 F N 2.971 122.912 119.950 -0.015 0.000 2.384 1602 F HA 0.220 4.745 4.527 -0.002 0.000 0.359 1602 F C 0.489 176.311 175.800 0.036 0.000 1.143 1602 F CA -1.117 56.931 58.000 0.080 0.000 1.216 1602 F CB 0.568 39.666 39.000 0.162 0.000 1.512 1602 F HN -0.030 nan 8.300 nan 0.000 0.573 1603 D N 1.067 121.525 120.400 0.096 0.000 2.123 1603 D HA -0.261 4.377 4.640 -0.002 0.000 0.196 1603 D C 1.562 177.791 176.300 -0.119 0.000 0.992 1603 D CA 1.825 55.759 54.000 -0.109 0.000 0.833 1603 D CB -0.346 40.266 40.800 -0.314 0.000 0.954 1603 D HN 0.495 nan 8.370 nan 0.000 0.455 1604 Y N 0.632 120.968 120.300 0.060 0.000 2.578 1604 Y HA 0.148 4.697 4.550 -0.002 0.000 0.297 1604 Y C 1.068 176.974 175.900 0.009 0.000 1.176 1604 Y CA 0.085 58.206 58.100 0.034 0.000 1.315 1604 Y CB -0.065 38.420 38.460 0.043 0.000 1.031 1604 Y HN -0.115 nan 8.280 nan 0.000 0.524 1605 I N -0.009 120.614 120.570 0.087 0.000 2.433 1605 I HA 0.388 4.557 4.170 -0.002 0.000 0.292 1605 I C -1.002 174.898 176.117 -0.361 0.000 1.001 1605 I CA -0.998 60.225 61.300 -0.127 0.000 1.119 1605 I CB 2.158 40.050 38.000 -0.181 0.000 1.289 1605 I HN -0.388 nan 8.210 nan 0.000 0.438 1606 V N 7.224 126.898 119.914 -0.399 0.000 2.487 1606 V HA 0.418 4.537 4.120 -0.002 0.000 0.298 1606 V C -1.224 174.661 176.094 -0.349 0.000 1.028 1606 V CA -0.414 61.658 62.300 -0.381 0.000 0.860 1606 V CB 1.737 33.369 31.823 -0.318 0.000 0.991 1606 V HN 0.478 nan 8.190 nan 0.000 0.427 1607 Y N 7.174 127.476 120.300 0.004 0.000 2.518 1607 Y HA 0.502 5.051 4.550 -0.002 0.000 0.344 1607 Y C -2.220 173.733 175.900 0.087 0.000 0.982 1607 Y CA -3.136 55.013 58.100 0.082 0.000 1.234 1607 Y CB 0.650 39.151 38.460 0.068 0.000 1.114 1607 Y HN 0.479 nan 8.280 nan 0.000 0.515 1608 P HA 0.118 nan 4.420 nan 0.000 0.286 1608 P C 0.463 177.887 177.300 0.207 0.000 1.269 1608 P CA -0.346 62.873 63.100 0.199 0.000 0.787 1608 P CB 1.544 33.309 31.700 0.108 0.000 0.920 1609 S N 2.947 118.778 115.700 0.218 0.000 2.535 1609 S HA 0.124 4.593 4.470 -0.002 0.000 0.214 1609 S C 0.541 175.084 174.600 -0.095 0.000 0.980 1609 S CA -0.253 57.972 58.200 0.042 0.000 0.907 1609 S CB -0.284 62.839 63.200 -0.127 0.000 0.790 1609 S HN 0.508 nan 8.310 nan 0.000 0.510 1610 R N -0.285 120.181 120.500 -0.058 0.000 2.774 1610 R HA 0.703 5.042 4.340 -0.002 0.000 0.272 1610 R C -1.109 175.151 176.300 -0.067 0.000 1.000 1610 R CA -0.730 55.312 56.100 -0.096 0.000 0.906 1610 R CB 0.763 30.988 30.300 -0.125 0.000 1.227 1610 R HN -0.050 nan 8.270 nan 0.000 0.468 1611 S N 0.786 116.428 115.700 -0.095 0.000 2.572 1611 S HA 0.308 4.777 4.470 -0.002 0.000 0.279 1611 S C 0.051 174.591 174.600 -0.100 0.000 1.341 1611 S CA -0.199 57.945 58.200 -0.094 0.000 1.043 1611 S CB 0.170 63.289 63.200 -0.135 0.000 0.887 1611 S HN 0.356 nan 8.310 nan 0.000 0.516 1612 I N 2.340 122.852 120.570 -0.097 0.000 2.478 1612 I HA 0.293 4.461 4.170 -0.002 0.000 0.287 1612 I C -0.465 175.529 176.117 -0.206 0.000 1.042 1612 I CA -0.824 60.390 61.300 -0.142 0.000 1.067 1612 I CB 1.898 39.824 38.000 -0.122 0.000 1.233 1612 I HN 0.372 nan 8.210 nan 0.000 0.431 1613 K N 5.506 125.743 120.400 -0.271 0.000 2.258 1613 K HA 0.460 4.779 4.320 -0.002 0.000 0.284 1613 K C -0.225 176.112 176.600 -0.439 0.000 1.051 1613 K CA -0.127 55.965 56.287 -0.325 0.000 0.923 1613 K CB 0.856 33.095 32.500 -0.434 0.000 1.046 1613 K HN 0.687 nan 8.250 nan 0.000 0.474 1614 T N -0.063 114.319 114.554 -0.285 0.000 2.927 1614 T HA 0.273 4.622 4.350 -0.002 0.000 0.286 1614 T C 0.512 175.462 174.700 0.416 0.000 1.040 1614 T CA -0.482 61.471 62.100 -0.246 0.000 1.010 1614 T CB 1.026 69.663 68.868 -0.384 0.000 1.177 1614 T HN 0.569 nan 8.240 nan 0.000 0.546 1615 D N -0.603 120.204 120.400 0.679 0.000 2.310 1615 D HA 0.299 4.938 4.640 -0.002 0.000 0.212 1615 D C 1.041 177.564 176.300 0.372 0.000 0.965 1615 D CA 0.753 55.087 54.000 0.557 0.000 0.879 1615 D CB -0.526 40.587 40.800 0.522 0.000 0.921 1615 D HN 1.173 nan 8.370 nan 0.000 0.510 1616 G N -0.118 108.874 108.800 0.319 0.000 2.350 1616 G HA2 0.357 4.316 3.960 -0.002 0.000 0.305 1616 G HA3 0.357 4.316 3.960 -0.002 0.000 0.305 1616 G C -1.540 173.501 174.900 0.236 0.000 1.479 1616 G CA -0.527 44.726 45.100 0.254 0.000 0.949 1616 G HN 0.295 nan 8.290 nan 0.000 0.651 1617 I N -1.696 119.014 120.570 0.234 0.000 2.569 1617 I HA 0.667 4.835 4.170 -0.002 0.000 0.296 1617 I C 0.335 176.586 176.117 0.224 0.000 1.028 1617 I CA -1.265 60.161 61.300 0.210 0.000 1.082 1617 I CB 1.620 39.733 38.000 0.188 0.000 1.264 1617 I HN 0.712 nan 8.210 nan 0.000 0.429 1618 K N 3.532 124.019 120.400 0.145 0.000 2.190 1618 K HA 0.563 4.882 4.320 -0.002 0.000 0.202 1618 K C 0.524 177.084 176.600 -0.067 0.000 1.045 1618 K CA 0.854 57.169 56.287 0.047 0.000 0.976 1618 K CB 0.430 32.927 32.500 -0.005 0.000 0.849 1618 K HN 0.831 nan 8.250 nan 0.000 0.468 1619 A N 0.915 123.705 122.820 -0.050 0.000 2.515 1619 A HA 0.631 4.950 4.320 -0.002 0.000 0.298 1619 A C -1.324 176.245 177.584 -0.025 0.000 1.059 1619 A CA -0.825 51.121 52.037 -0.151 0.000 0.698 1619 A CB 0.840 19.695 19.000 -0.242 0.000 1.289 1619 A HN 0.190 nan 8.150 nan 0.000 0.404 1620 F N -0.160 119.741 119.950 -0.082 0.000 2.611 1620 F HA 0.883 5.409 4.527 -0.002 0.000 0.324 1620 F C -0.088 175.655 175.800 -0.095 0.000 1.061 1620 F CA -1.070 56.889 58.000 -0.068 0.000 0.954 1620 F CB 1.868 40.837 39.000 -0.051 0.000 1.301 1620 F HN 0.567 nan 8.300 nan 0.000 0.482 1621 S N 2.302 118.138 115.700 0.227 0.000 2.774 1621 S HA 0.617 5.086 4.470 -0.002 0.000 0.297 1621 S C -1.074 173.579 174.600 0.089 0.000 1.143 1621 S CA -0.476 57.764 58.200 0.067 0.000 1.090 1621 S CB 0.398 63.554 63.200 -0.073 0.000 1.019 1621 S HN 1.356 nan 8.310 nan 0.000 0.482 1622 V N 3.257 123.256 119.914 0.142 0.000 2.607 1622 V HA 0.943 5.062 4.120 -0.002 0.000 0.289 1622 V C -0.317 175.724 176.094 -0.088 0.000 1.053 1622 V CA -0.237 62.078 62.300 0.024 0.000 0.996 1622 V CB 1.044 32.907 31.823 0.066 0.000 0.995 1622 V HN 0.902 nan 8.190 nan 0.000 0.476 1623 T N 2.002 116.480 114.554 -0.128 0.000 3.011 1623 T HA 0.699 5.048 4.350 -0.002 0.000 0.303 1623 T C -0.376 174.219 174.700 -0.176 0.000 0.997 1623 T CA -0.165 61.805 62.100 -0.216 0.000 1.007 1623 T CB 1.066 69.791 68.868 -0.238 0.000 1.017 1623 T HN 1.388 nan 8.240 nan 0.000 0.443 1624 S N 1.790 117.255 115.700 -0.390 0.000 2.599 1624 S HA 0.923 5.392 4.470 -0.002 0.000 0.294 1624 S C -1.315 172.784 174.600 -0.836 0.000 1.094 1624 S CA -0.899 56.971 58.200 -0.551 0.000 0.931 1624 S CB 1.193 64.165 63.200 -0.379 0.000 1.093 1624 S HN 0.517 nan 8.310 nan 0.000 0.488 1625 F N -0.264 119.177 119.950 -0.847 0.000 2.588 1625 F HA 0.867 5.393 4.527 -0.002 0.000 0.314 1625 F C 0.756 176.393 175.800 -0.272 0.000 1.069 1625 F CA -0.368 57.395 58.000 -0.395 0.000 0.931 1625 F CB 2.377 41.240 39.000 -0.229 0.000 1.260 1625 F HN 1.063 nan 8.300 nan 0.000 0.465 1626 G N 0.128 108.972 108.800 0.074 0.000 2.733 1626 G HA2 0.604 4.563 3.960 -0.002 0.000 0.288 1626 G HA3 0.604 4.563 3.960 -0.002 0.000 0.288 1626 G C -1.796 173.189 174.900 0.142 0.000 1.373 1626 G CA -0.778 44.413 45.100 0.151 0.000 0.895 1626 G HN 0.273 nan 8.290 nan 0.000 0.479 1627 F N 0.651 120.650 119.950 0.081 0.000 2.563 1627 F HA 0.407 4.932 4.527 -0.002 0.000 0.363 1627 F C 1.448 177.279 175.800 0.052 0.000 1.123 1627 F CA 1.443 59.490 58.000 0.078 0.000 1.307 1627 F CB 1.049 40.104 39.000 0.090 0.000 1.115 1627 F HN 0.988 nan 8.300 nan 0.000 0.592 1628 G N 2.844 111.735 108.800 0.153 0.000 2.289 1628 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.280 1628 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.280 1628 G C 0.085 175.022 174.900 0.063 0.000 1.089 1628 G CA 0.027 45.190 45.100 0.103 0.000 0.939 1628 G HN 0.831 nan 8.290 nan 0.000 0.499 1629 Q N -2.202 117.623 119.800 0.042 0.000 2.435 1629 Q HA -0.242 4.097 4.340 -0.002 0.000 0.312 1629 Q C 0.548 176.566 176.000 0.030 0.000 1.333 1629 Q CA 1.584 57.408 55.803 0.036 0.000 0.883 1629 Q CB -0.673 28.081 28.738 0.027 0.000 1.170 1629 Q HN 0.613 nan 8.270 nan 0.000 0.443 1630 K N 0.891 121.310 120.400 0.032 0.000 2.385 1630 K HA 0.361 4.680 4.320 -0.002 0.000 0.229 1630 K C -0.051 176.504 176.600 -0.074 0.000 1.089 1630 K CA 0.091 56.376 56.287 -0.005 0.000 1.060 1630 K CB 0.590 33.104 32.500 0.023 0.000 1.698 1630 K HN 0.324 nan 8.250 nan 0.000 0.469 1631 G N 1.087 109.813 108.800 -0.123 0.000 2.322 1631 G HA2 0.649 4.608 3.960 -0.002 0.000 0.309 1631 G HA3 0.649 4.608 3.960 -0.002 0.000 0.309 1631 G C -0.965 173.713 174.900 -0.370 0.000 1.121 1631 G CA -0.461 44.428 45.100 -0.351 0.000 0.886 1631 G HN 0.541 nan 8.290 nan 0.000 0.447 1632 A N 2.207 124.735 122.820 -0.486 0.000 2.469 1632 A HA 0.903 5.222 4.320 -0.002 0.000 0.299 1632 A C -0.608 176.749 177.584 -0.378 0.000 1.098 1632 A CA -0.766 51.067 52.037 -0.340 0.000 0.737 1632 A CB 2.197 21.057 19.000 -0.233 0.000 1.312 1632 A HN 0.775 nan 8.150 nan 0.000 0.414 1633 Q N 0.187 119.827 119.800 -0.267 0.000 2.320 1633 Q HA 0.655 4.994 4.340 -0.002 0.000 0.272 1633 Q C -1.586 174.301 176.000 -0.189 0.000 1.023 1633 Q CA -0.618 55.044 55.803 -0.235 0.000 0.855 1633 Q CB 2.170 30.767 28.738 -0.235 0.000 1.367 1633 Q HN 1.512 nan 8.270 nan 0.000 0.406 1634 A N 4.181 126.907 122.820 -0.156 0.000 2.414 1634 A HA 0.751 5.070 4.320 -0.002 0.000 0.306 1634 A C -1.264 176.212 177.584 -0.181 0.000 1.054 1634 A CA -0.647 51.292 52.037 -0.163 0.000 0.724 1634 A CB 1.254 20.187 19.000 -0.111 0.000 1.267 1634 A HN 0.615 nan 8.150 nan 0.000 0.418 1635 I N 2.041 122.443 120.570 -0.280 0.000 2.406 1635 I HA 0.527 4.696 4.170 -0.002 0.000 0.290 1635 I C 0.585 176.346 176.117 -0.594 0.000 0.999 1635 I CA -0.226 60.832 61.300 -0.405 0.000 1.124 1635 I CB 1.018 38.822 38.000 -0.325 0.000 1.289 1635 I HN 0.742 nan 8.210 nan 0.000 0.441 1636 G N 5.394 113.484 108.800 -1.182 0.000 2.461 1636 G HA2 0.631 4.590 3.960 -0.002 0.000 0.323 1636 G HA3 0.631 4.590 3.960 -0.002 0.000 0.323 1636 G C -1.021 173.302 174.900 -0.962 0.000 1.229 1636 G CA -0.345 44.013 45.100 -1.237 0.000 0.941 1636 G HN 0.320 nan 8.290 nan 0.000 0.477 1637 V N 2.193 121.754 119.914 -0.588 0.000 2.715 1637 V HA 0.340 4.459 4.120 -0.002 0.000 0.310 1637 V C -0.099 175.780 176.094 -0.359 0.000 1.054 1637 V CA -1.105 60.889 62.300 -0.509 0.000 0.928 1637 V CB 1.797 33.213 31.823 -0.678 0.000 1.007 1637 V HN 0.826 nan 8.190 nan 0.000 0.437 1638 H N 5.475 124.340 119.070 -0.343 0.000 2.886 1638 H HA 0.119 4.673 4.556 -0.002 0.000 0.329 1638 H C -1.827 173.445 175.328 -0.093 0.000 1.044 1638 H CA -1.377 54.604 56.048 -0.112 0.000 1.456 1638 H CB 1.844 31.628 29.762 0.037 0.000 1.464 1638 H HN 0.326 nan 8.280 nan 0.000 0.573 1639 P HA -0.270 nan 4.420 nan 0.000 0.217 1639 P C 1.404 178.754 177.300 0.084 0.000 1.158 1639 P CA 2.886 65.969 63.100 -0.029 0.000 0.887 1639 P CB 0.112 31.850 31.700 0.063 0.000 0.792 1640 K N -1.330 119.426 120.400 0.593 0.000 2.077 1640 K HA -0.257 4.062 4.320 -0.002 0.000 0.213 1640 K C 1.868 178.603 176.600 0.224 0.000 1.051 1640 K CA 1.992 58.533 56.287 0.424 0.000 0.929 1640 K CB -1.666 30.906 32.500 0.120 0.000 0.715 1640 K HN 0.117 nan 8.250 nan 0.000 0.451 1641 Y N 0.973 121.283 120.300 0.017 0.000 2.315 1641 Y HA -0.126 4.423 4.550 -0.002 0.000 0.288 1641 Y C 2.282 178.267 175.900 0.142 0.000 1.154 1641 Y CA 1.004 59.139 58.100 0.059 0.000 1.229 1641 Y CB -0.495 37.968 38.460 0.005 0.000 0.980 1641 Y HN 0.139 nan 8.280 nan 0.000 0.540 1642 L N -1.211 120.001 121.223 -0.018 0.000 2.044 1642 L HA -0.138 4.201 4.340 -0.002 0.000 0.205 1642 L C 1.883 178.835 176.870 0.137 0.000 1.075 1642 L CA 1.630 56.511 54.840 0.067 0.000 0.747 1642 L CB -0.830 41.033 42.059 -0.326 0.000 0.903 1642 L HN 0.024 nan 8.230 nan 0.000 0.435 1643 F N 0.708 120.794 119.950 0.228 0.000 2.250 1643 F HA -0.117 4.409 4.527 -0.002 0.000 0.301 1643 F C 2.486 178.422 175.800 0.228 0.000 1.077 1643 F CA 0.818 58.967 58.000 0.249 0.000 1.348 1643 F CB -1.558 37.598 39.000 0.260 0.000 1.040 1643 F HN 0.229 nan 8.300 nan 0.000 0.509 1644 A N -0.976 122.026 122.820 0.303 0.000 2.255 1644 A HA -0.026 4.292 4.320 -0.002 0.000 0.206 1644 A C 2.046 179.760 177.584 0.216 0.000 1.193 1644 A CA 1.371 53.513 52.037 0.175 0.000 0.794 1644 A CB -1.078 17.930 19.000 0.013 0.000 0.794 1644 A HN 0.317 nan 8.150 nan 0.000 0.481 1645 T N 0.208 114.922 114.554 0.267 0.000 3.035 1645 T HA 0.208 4.557 4.350 -0.002 0.000 0.259 1645 T C 0.777 175.602 174.700 0.208 0.000 1.078 1645 T CA 0.398 62.622 62.100 0.208 0.000 1.132 1645 T CB -0.241 68.748 68.868 0.202 0.000 0.900 1645 T HN 0.396 nan 8.240 nan 0.000 0.480 1646 L N 0.988 122.378 121.223 0.278 0.000 2.448 1646 L HA 0.479 4.818 4.340 -0.002 0.000 0.258 1646 L C -0.199 176.819 176.870 0.246 0.000 1.104 1646 L CA -1.223 53.763 54.840 0.244 0.000 0.800 1646 L CB 0.347 42.573 42.059 0.277 0.000 1.241 1646 L HN -0.022 nan 8.230 nan 0.000 0.472 1647 D N -0.320 120.149 120.400 0.115 0.000 2.225 1647 D HA 0.079 4.718 4.640 -0.002 0.000 0.249 1647 D C 0.632 176.746 176.300 -0.311 0.000 1.052 1647 D CA -0.467 53.539 54.000 0.011 0.000 0.909 1647 D CB 1.742 42.541 40.800 -0.002 0.000 1.186 1647 D HN 0.467 nan 8.370 nan 0.000 0.431 1648 K N 1.427 121.329 120.400 -0.829 0.000 2.228 1648 K HA -0.270 4.049 4.320 -0.002 0.000 0.205 1648 K C 1.511 177.784 176.600 -0.544 0.000 1.045 1648 K CA 1.543 56.985 56.287 -1.409 0.000 0.931 1648 K CB -0.017 31.550 32.500 -1.554 0.000 0.727 1648 K HN 0.432 nan 8.250 nan 0.000 0.458 1649 A N 1.301 123.946 122.820 -0.292 0.000 1.851 1649 A HA -0.263 4.056 4.320 -0.002 0.000 0.216 1649 A C 2.098 179.628 177.584 -0.091 0.000 1.195 1649 A CA 1.891 53.842 52.037 -0.143 0.000 0.622 1649 A CB -0.695 18.260 19.000 -0.075 0.000 0.831 1649 A HN 0.567 nan 8.150 nan 0.000 0.444 1650 Q N -1.961 117.810 119.800 -0.049 0.000 1.967 1650 Q HA -0.217 4.122 4.340 -0.002 0.000 0.202 1650 Q C 2.141 178.170 176.000 0.048 0.000 0.985 1650 Q CA 1.805 57.621 55.803 0.021 0.000 0.839 1650 Q CB -0.557 28.220 28.738 0.065 0.000 0.906 1650 Q HN 0.787 nan 8.270 nan 0.000 0.423 1651 Y N 1.741 121.994 120.300 -0.079 0.000 2.139 1651 Y HA -0.307 4.242 4.550 -0.002 0.000 0.282 1651 Y C 2.084 177.976 175.900 -0.014 0.000 1.179 1651 Y CA 2.064 60.143 58.100 -0.036 0.000 1.161 1651 Y CB -0.024 38.385 38.460 -0.085 0.000 0.970 1651 Y HN 0.141 nan 8.280 nan 0.000 0.511 1652 E N -0.614 119.549 120.200 -0.061 0.000 2.216 1652 E HA -0.062 4.286 4.350 -0.002 0.000 0.192 1652 E C 2.212 178.742 176.600 -0.116 0.000 0.988 1652 E CA 0.599 56.932 56.400 -0.112 0.000 0.834 1652 E CB -0.173 29.474 29.700 -0.088 0.000 0.772 1652 E HN 0.591 nan 8.360 nan 0.000 0.479 1653 A N 0.336 123.117 122.820 -0.065 0.000 1.898 1653 A HA -0.192 4.127 4.320 -0.002 0.000 0.216 1653 A C 1.972 179.537 177.584 -0.031 0.000 1.181 1653 A CA 1.251 53.267 52.037 -0.035 0.000 0.620 1653 A CB -0.740 18.261 19.000 0.001 0.000 0.819 1653 A HN 0.537 nan 8.150 nan 0.000 0.442 1654 Y N 0.139 120.344 120.300 -0.159 0.000 2.181 1654 Y HA -0.261 4.288 4.550 -0.002 0.000 0.288 1654 Y C 2.391 178.160 175.900 -0.217 0.000 1.146 1654 Y CA 1.599 59.601 58.100 -0.162 0.000 1.164 1654 Y CB -0.866 37.498 38.460 -0.160 0.000 0.982 1654 Y HN 0.322 nan 8.280 nan 0.000 0.515 1655 C N -0.220 118.814 119.300 -0.444 0.000 2.410 1655 C HA -0.154 4.305 4.460 -0.002 0.000 0.281 1655 C C 2.701 177.489 174.990 -0.336 0.000 1.318 1655 C CA 1.171 59.880 59.018 -0.515 0.000 1.776 1655 C CB -1.286 26.203 27.740 -0.418 0.000 1.942 1655 C HN 0.570 nan 8.230 nan 0.000 0.508 1656 V N 0.443 120.216 119.914 -0.234 0.000 2.488 1656 V HA -0.142 3.977 4.120 -0.002 0.000 0.246 1656 V C 2.361 178.364 176.094 -0.152 0.000 1.046 1656 V CA 1.537 63.746 62.300 -0.152 0.000 1.053 1656 V CB -0.554 31.210 31.823 -0.098 0.000 0.679 1656 V HN 0.537 nan 8.190 nan 0.000 0.458 1657 K N 0.186 120.475 120.400 -0.184 0.000 2.009 1657 K HA -0.146 4.172 4.320 -0.002 0.000 0.210 1657 K C 2.155 178.652 176.600 -0.171 0.000 1.049 1657 K CA 1.606 57.803 56.287 -0.149 0.000 0.929 1657 K CB -0.547 31.872 32.500 -0.134 0.000 0.714 1657 K HN 0.274 nan 8.250 nan 0.000 0.440 1658 V N 1.838 121.552 119.914 -0.334 0.000 2.231 1658 V HA -0.336 3.783 4.120 -0.002 0.000 0.248 1658 V C 2.220 178.310 176.094 -0.007 0.000 1.054 1658 V CA 1.925 64.093 62.300 -0.221 0.000 1.015 1658 V CB -0.531 31.031 31.823 -0.435 0.000 0.638 1658 V HN 0.402 nan 8.190 nan 0.000 0.444 1659 Q N -0.747 119.005 119.800 -0.080 0.000 2.291 1659 Q HA -0.139 4.199 4.340 -0.002 0.000 0.206 1659 Q C 2.250 178.211 176.000 -0.064 0.000 0.976 1659 Q CA 1.403 57.169 55.803 -0.062 0.000 0.875 1659 Q CB -0.320 28.367 28.738 -0.085 0.000 0.927 1659 Q HN 0.730 nan 8.270 nan 0.000 0.450 1660 A N 1.007 123.797 122.820 -0.051 0.000 1.874 1660 A HA -0.119 4.199 4.320 -0.002 0.000 0.214 1660 A C 1.970 179.546 177.584 -0.012 0.000 1.189 1660 A CA 0.758 52.772 52.037 -0.040 0.000 0.615 1660 A CB -0.240 18.738 19.000 -0.036 0.000 0.830 1660 A HN 0.151 nan 8.150 nan 0.000 0.443 1661 R N -0.782 119.740 120.500 0.036 0.000 2.094 1661 R HA -0.193 4.146 4.340 -0.002 0.000 0.239 1661 R C 2.518 178.878 176.300 0.099 0.000 1.137 1661 R CA 1.660 57.824 56.100 0.106 0.000 0.943 1661 R CB -0.409 30.011 30.300 0.201 0.000 0.850 1661 R HN 0.636 nan 8.270 nan 0.000 0.433 1662 Q N 1.328 121.141 119.800 0.021 0.000 2.173 1662 Q HA -0.228 4.110 4.340 -0.002 0.000 0.208 1662 Q C 1.620 177.474 176.000 -0.244 0.000 0.989 1662 Q CA 1.856 57.328 55.803 -0.552 0.000 0.872 1662 Q CB 0.015 28.260 28.738 -0.821 0.000 0.909 1662 Q HN 0.260 nan 8.270 nan 0.000 0.420 1663 K N -0.087 120.236 120.400 -0.128 0.000 2.103 1663 K HA -0.089 4.229 4.320 -0.002 0.000 0.204 1663 K C 2.249 178.864 176.600 0.025 0.000 1.052 1663 K CA 1.189 57.431 56.287 -0.074 0.000 0.945 1663 K CB 0.116 32.559 32.500 -0.095 0.000 0.722 1663 K HN 0.109 nan 8.250 nan 0.000 0.443 1664 K N 0.415 120.823 120.400 0.013 0.000 2.001 1664 K HA -0.094 4.225 4.320 -0.002 0.000 0.208 1664 K C 2.200 178.841 176.600 0.068 0.000 1.048 1664 K CA 1.325 57.633 56.287 0.035 0.000 0.932 1664 K CB -0.228 32.271 32.500 -0.001 0.000 0.715 1664 K HN 0.106 nan 8.250 nan 0.000 0.437 1665 A N 1.147 123.981 122.820 0.022 0.000 1.859 1665 A HA -0.276 4.043 4.320 -0.002 0.000 0.217 1665 A C 2.114 179.674 177.584 -0.041 0.000 1.198 1665 A CA 1.918 53.931 52.037 -0.040 0.000 0.629 1665 A CB -1.198 17.716 19.000 -0.142 0.000 0.830 1665 A HN 0.492 nan 8.150 nan 0.000 0.446 1666 Y N 0.496 120.701 120.300 -0.159 0.000 2.102 1666 Y HA -0.356 4.192 4.550 -0.002 0.000 0.280 1666 Y C 2.584 178.575 175.900 0.151 0.000 1.178 1666 Y CA 2.798 60.899 58.100 0.003 0.000 1.146 1666 Y CB -0.318 38.134 38.460 -0.012 0.000 0.968 1666 Y HN 0.361 nan 8.280 nan 0.000 0.504 1667 R N -0.733 119.952 120.500 0.307 0.000 2.083 1667 R HA -0.224 4.115 4.340 -0.002 0.000 0.237 1667 R C 2.221 178.624 176.300 0.171 0.000 1.137 1667 R CA 1.906 58.139 56.100 0.221 0.000 0.951 1667 R CB -0.849 29.568 30.300 0.196 0.000 0.851 1667 R HN 0.454 nan 8.270 nan 0.000 0.434 1668 F N 0.820 120.781 119.950 0.019 0.000 2.046 1668 F HA -0.210 4.316 4.527 -0.002 0.000 0.297 1668 F C 1.967 177.762 175.800 -0.008 0.000 1.123 1668 F CA 1.633 59.630 58.000 -0.005 0.000 1.199 1668 F CB -1.018 37.971 39.000 -0.019 0.000 0.972 1668 F HN 0.084 nan 8.300 nan 0.000 0.474 1669 F N 0.371 120.218 119.950 -0.172 0.000 2.115 1669 F HA -0.320 4.206 4.527 -0.002 0.000 0.300 1669 F C 2.762 178.353 175.800 -0.348 0.000 1.092 1669 F CA 2.439 60.271 58.000 -0.281 0.000 1.245 1669 F CB -0.748 38.145 39.000 -0.178 0.000 0.995 1669 F HN 0.104 nan 8.300 nan 0.000 0.481 1670 H N -0.709 118.239 119.070 -0.202 0.000 2.395 1670 H HA -0.110 4.445 4.556 -0.002 0.000 0.299 1670 H C 1.988 177.111 175.328 -0.342 0.000 1.070 1670 H CA 1.401 57.261 56.048 -0.313 0.000 1.356 1670 H CB -0.472 29.123 29.762 -0.278 0.000 1.401 1670 H HN 0.332 nan 8.280 nan 0.000 0.524 1671 N N 0.727 119.328 118.700 -0.165 0.000 2.069 1671 N HA -0.120 4.619 4.740 -0.002 0.000 0.191 1671 N C 2.240 177.571 175.510 -0.297 0.000 1.031 1671 N CA 1.735 54.675 53.050 -0.185 0.000 0.852 1671 N CB -0.640 37.776 38.487 -0.118 0.000 1.018 1671 N HN 0.294 nan 8.380 nan 0.000 0.423 1672 G N 1.225 109.729 108.800 -0.493 0.000 2.480 1672 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.216 1672 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.216 1672 G C 1.594 176.250 174.900 -0.407 0.000 1.200 1672 G CA 0.840 45.644 45.100 -0.492 0.000 0.782 1672 G HN 0.327 nan 8.290 nan 0.000 0.554 1673 L N 0.028 120.829 121.223 -0.703 0.000 2.021 1673 L HA -0.161 4.177 4.340 -0.002 0.000 0.215 1673 L C 2.957 179.708 176.870 -0.198 0.000 1.074 1673 L CA 1.455 55.804 54.840 -0.818 0.000 0.760 1673 L CB -0.459 40.963 42.059 -1.062 0.000 0.889 1673 L HN 0.273 nan 8.230 nan 0.000 0.433 1674 I N -0.428 120.032 120.570 -0.183 0.000 2.353 1674 I HA -0.224 3.945 4.170 -0.002 0.000 0.248 1674 I C 1.292 177.417 176.117 0.013 0.000 1.119 1674 I CA 1.049 62.318 61.300 -0.053 0.000 1.417 1674 I CB -0.106 37.803 38.000 -0.151 0.000 1.078 1674 I HN 0.318 nan 8.210 nan 0.000 0.421 1675 N N 0.756 119.433 118.700 -0.038 0.000 2.204 1675 N HA 0.066 4.805 4.740 -0.002 0.000 0.219 1675 N C -0.381 175.129 175.510 0.000 0.000 1.151 1675 N CA 0.081 53.118 53.050 -0.022 0.000 0.867 1675 N CB 0.081 38.538 38.487 -0.050 0.000 1.043 1675 N HN 0.131 nan 8.380 nan 0.000 0.516 1676 N N 0.489 119.216 118.700 0.045 0.000 2.735 1676 N HA -0.188 4.550 4.740 -0.002 0.000 0.248 1676 N C -0.420 175.120 175.510 0.050 0.000 1.083 1676 N CA 0.682 53.778 53.050 0.077 0.000 0.703 1676 N CB -1.040 37.458 38.487 0.017 0.000 1.005 1676 N HN 0.401 nan 8.380 nan 0.000 0.550 1677 K N 0.451 120.844 120.400 -0.011 0.000 2.896 1677 K HA 0.333 4.652 4.320 -0.002 0.000 0.210 1677 K C 1.434 177.993 176.600 -0.068 0.000 1.116 1677 K CA -0.279 56.010 56.287 0.003 0.000 1.050 1677 K CB 0.477 32.968 32.500 -0.014 0.000 0.812 1677 K HN 0.117 nan 8.250 nan 0.000 0.462 1678 L N 0.253 121.478 121.223 0.004 0.000 2.275 1678 L HA 0.026 4.365 4.340 -0.002 0.000 0.215 1678 L C 0.356 177.374 176.870 0.248 0.000 1.119 1678 L CA 1.022 55.876 54.840 0.023 0.000 0.790 1678 L CB -0.020 42.163 42.059 0.208 0.000 0.919 1678 L HN 0.248 nan 8.230 nan 0.000 0.443 1679 F N 0.128 120.171 119.950 0.154 0.000 2.449 1679 F HA 0.457 4.983 4.527 -0.002 0.000 0.342 1679 F C -0.600 175.276 175.800 0.126 0.000 1.127 1679 F CA -0.659 57.434 58.000 0.154 0.000 0.975 1679 F CB 1.412 40.497 39.000 0.142 0.000 1.146 1679 F HN -0.470 nan 8.300 nan 0.000 0.444 1680 V N 6.583 126.365 119.914 -0.219 0.000 2.376 1680 V HA 0.573 4.692 4.120 -0.002 0.000 0.287 1680 V C 0.012 175.945 176.094 -0.268 0.000 1.015 1680 V CA -0.775 61.470 62.300 -0.091 0.000 0.834 1680 V CB 1.202 33.028 31.823 0.004 0.000 1.001 1680 V HN 0.955 nan 8.190 nan 0.000 0.428 1681 A N 6.347 129.166 122.820 -0.002 0.000 2.440 1681 A HA 0.442 4.761 4.320 -0.002 0.000 0.251 1681 A C 0.353 177.938 177.584 0.001 0.000 1.089 1681 A CA -0.173 51.904 52.037 0.067 0.000 0.779 1681 A CB 0.182 19.345 19.000 0.271 0.000 1.022 1681 A HN 0.655 nan 8.150 nan 0.000 0.492 1682 K N 1.654 122.038 120.400 -0.026 0.000 2.218 1682 K HA 0.149 4.468 4.320 -0.002 0.000 0.276 1682 K C -0.480 176.153 176.600 0.055 0.000 1.022 1682 K CA -0.269 56.001 56.287 -0.028 0.000 0.946 1682 K CB 1.294 33.748 32.500 -0.078 0.000 1.000 1682 K HN 0.678 nan 8.250 nan 0.000 0.468 1683 D N 0.800 121.235 120.400 0.059 0.000 2.388 1683 D HA 0.062 4.700 4.640 -0.002 0.000 0.208 1683 D C -0.211 176.133 176.300 0.072 0.000 1.035 1683 D CA 0.913 54.956 54.000 0.071 0.000 0.875 1683 D CB 0.644 41.480 40.800 0.060 0.000 0.984 1683 D HN 0.124 nan 8.370 nan 0.000 0.508 1684 K N 0.162 120.611 120.400 0.081 0.000 2.502 1684 K HA 0.688 5.007 4.320 -0.002 0.000 0.257 1684 K C -0.785 175.860 176.600 0.074 0.000 0.938 1684 K CA -0.781 55.540 56.287 0.056 0.000 0.819 1684 K CB 2.501 35.023 32.500 0.036 0.000 1.333 1684 K HN -0.070 nan 8.250 nan 0.000 0.434 1685 A N 2.356 125.133 122.820 -0.072 0.000 2.366 1685 A HA 0.305 4.624 4.320 -0.002 0.000 0.250 1685 A C -1.568 175.809 177.584 -0.345 0.000 1.099 1685 A CA -0.563 51.320 52.037 -0.256 0.000 0.794 1685 A CB -0.374 18.190 19.000 -0.727 0.000 1.056 1685 A HN 0.432 nan 8.150 nan 0.000 0.499 1686 P HA -0.014 nan 4.420 nan 0.000 0.222 1686 P C -0.530 176.767 177.300 -0.005 0.000 1.147 1686 P CA 1.262 64.117 63.100 -0.408 0.000 0.790 1686 P CB -0.159 31.172 31.700 -0.615 0.000 0.780 1687 Y N -1.773 118.653 120.300 0.209 0.000 2.409 1687 Y HA 0.558 5.107 4.550 -0.002 0.000 0.339 1687 Y C 0.382 176.349 175.900 0.111 0.000 1.033 1687 Y CA -1.982 56.248 58.100 0.216 0.000 1.094 1687 Y CB 0.575 39.151 38.460 0.193 0.000 1.210 1687 Y HN -0.230 nan 8.280 nan 0.000 0.456 1688 E N 1.742 122.067 120.200 0.207 0.000 2.422 1688 E HA -0.057 4.292 4.350 -0.002 0.000 0.260 1688 E C -0.183 176.525 176.600 0.180 0.000 1.108 1688 E CA 0.010 56.487 56.400 0.129 0.000 0.943 1688 E CB 0.577 30.334 29.700 0.095 0.000 0.961 1688 E HN 0.713 nan 8.360 nan 0.000 0.443 1689 D N 1.082 121.550 120.400 0.113 0.000 2.144 1689 D HA -0.178 4.461 4.640 -0.002 0.000 0.199 1689 D C 1.808 178.144 176.300 0.060 0.000 0.984 1689 D CA 0.935 54.997 54.000 0.104 0.000 0.834 1689 D CB -0.166 40.665 40.800 0.052 0.000 0.955 1689 D HN 0.413 nan 8.370 nan 0.000 0.465 1690 R N 1.131 121.658 120.500 0.045 0.000 2.134 1690 R HA -0.201 4.138 4.340 -0.002 0.000 0.248 1690 R C 1.910 178.211 176.300 0.003 0.000 1.143 1690 R CA 1.566 57.677 56.100 0.018 0.000 0.957 1690 R CB -0.536 29.778 30.300 0.024 0.000 0.867 1690 R HN 0.262 nan 8.270 nan 0.000 0.441 1691 I N 0.651 121.238 120.570 0.029 0.000 2.876 1691 I HA -0.115 4.054 4.170 -0.002 0.000 0.264 1691 I C 2.690 178.743 176.117 -0.106 0.000 1.204 1691 I CA 0.545 61.835 61.300 -0.017 0.000 1.485 1691 I CB -0.457 37.557 38.000 0.024 0.000 1.103 1691 I HN 0.341 nan 8.210 nan 0.000 0.446 1692 Q N 1.798 121.538 119.800 -0.099 0.000 2.047 1692 Q HA -0.279 4.060 4.340 -0.002 0.000 0.211 1692 Q C 2.272 178.019 176.000 -0.423 0.000 1.005 1692 Q CA 3.033 58.641 55.803 -0.326 0.000 0.866 1692 Q CB -0.094 28.497 28.738 -0.244 0.000 0.938 1692 Q HN 0.450 nan 8.270 nan 0.000 0.414 1693 S N 0.592 116.085 115.700 -0.346 0.000 2.380 1693 S HA -0.205 4.263 4.470 -0.002 0.000 0.229 1693 S C 1.761 176.268 174.600 -0.155 0.000 1.043 1693 S CA 1.720 59.746 58.200 -0.290 0.000 1.038 1693 S CB -0.240 62.846 63.200 -0.190 0.000 0.872 1693 S HN 0.376 nan 8.310 nan 0.000 0.456 1694 K N 0.658 120.974 120.400 -0.139 0.000 2.001 1694 K HA -0.036 4.283 4.320 -0.002 0.000 0.208 1694 K C 2.146 178.673 176.600 -0.122 0.000 1.048 1694 K CA 1.352 57.575 56.287 -0.106 0.000 0.932 1694 K CB -0.647 31.795 32.500 -0.097 0.000 0.715 1694 K HN 0.220 nan 8.250 nan 0.000 0.437 1695 V N 1.303 121.088 119.914 -0.216 0.000 2.324 1695 V HA -0.252 3.867 4.120 -0.002 0.000 0.250 1695 V C 2.093 178.093 176.094 -0.156 0.000 1.060 1695 V CA 1.819 63.893 62.300 -0.377 0.000 1.042 1695 V CB -0.681 30.653 31.823 -0.815 0.000 0.650 1695 V HN 0.212 nan 8.190 nan 0.000 0.450 1696 F N -0.715 119.029 119.950 -0.344 0.000 2.171 1696 F HA -0.119 4.407 4.527 -0.002 0.000 0.300 1696 F C 2.093 177.871 175.800 -0.037 0.000 1.090 1696 F CA 1.221 59.115 58.000 -0.175 0.000 1.293 1696 F CB -0.076 38.809 39.000 -0.191 0.000 1.013 1696 F HN 0.094 nan 8.300 nan 0.000 0.486 1697 L N -0.848 120.426 121.223 0.086 0.000 2.416 1697 L HA -0.007 4.332 4.340 -0.002 0.000 0.216 1697 L C 0.397 177.226 176.870 -0.068 0.000 1.098 1697 L CA 0.008 54.853 54.840 0.009 0.000 0.840 1697 L CB -0.247 41.806 42.059 -0.010 0.000 0.981 1697 L HN 0.004 nan 8.230 nan 0.000 0.462 1698 N N 0.769 119.410 118.700 -0.098 0.000 2.439 1698 N HA 0.148 4.887 4.740 -0.002 0.000 0.249 1698 N C -2.136 173.196 175.510 -0.297 0.000 1.003 1698 N CA -2.204 50.759 53.050 -0.145 0.000 0.942 1698 N CB 1.398 39.825 38.487 -0.100 0.000 1.115 1698 N HN -0.188 nan 8.380 nan 0.000 0.505 1699 P HA -0.001 nan 4.420 nan 0.000 0.242 1699 P C 0.609 177.703 177.300 -0.343 0.000 1.197 1699 P CA 0.745 63.465 63.100 -0.634 0.000 0.765 1699 P CB 0.449 31.943 31.700 -0.343 0.000 0.936 1700 Q N -0.510 119.192 119.800 -0.163 0.000 2.349 1700 Q HA 0.060 4.399 4.340 -0.002 0.000 0.209 1700 Q C 0.791 176.825 176.000 0.056 0.000 0.920 1700 Q CA 0.440 56.224 55.803 -0.032 0.000 0.901 1700 Q CB -0.492 28.235 28.738 -0.020 0.000 1.021 1700 Q HN 0.292 nan 8.270 nan 0.000 0.519 1701 S N 1.833 117.558 115.700 0.042 0.000 2.702 1701 S HA 0.069 4.538 4.470 -0.002 0.000 0.314 1701 S C 0.118 174.937 174.600 0.366 0.000 1.244 1701 S CA 0.214 58.486 58.200 0.119 0.000 1.058 1701 S CB 0.477 63.631 63.200 -0.077 0.000 0.783 1701 S HN 0.125 nan 8.310 nan 0.000 0.503 1702 R N 1.374 122.113 120.500 0.398 0.000 2.817 1702 R HA 0.608 4.947 4.340 -0.002 0.000 0.268 1702 R C -1.281 175.138 176.300 0.200 0.000 1.027 1702 R CA -1.059 55.266 56.100 0.374 0.000 0.928 1702 R CB 1.682 32.091 30.300 0.182 0.000 1.228 1702 R HN 0.504 nan 8.270 nan 0.000 0.469 1703 V N 1.446 121.293 119.914 -0.111 0.000 2.509 1703 V HA 0.265 4.384 4.120 -0.002 0.000 0.284 1703 V C 0.257 176.287 176.094 -0.108 0.000 1.047 1703 V CA -0.134 62.006 62.300 -0.266 0.000 0.952 1703 V CB 1.611 33.147 31.823 -0.478 0.000 0.988 1703 V HN 0.908 nan 8.190 nan 0.000 0.469 1704 T N 2.865 117.380 114.554 -0.065 0.000 2.823 1704 T HA 0.462 4.811 4.350 -0.002 0.000 0.279 1704 T C -0.336 174.341 174.700 -0.038 0.000 0.998 1704 T CA -0.605 61.471 62.100 -0.039 0.000 0.994 1704 T CB 1.433 70.298 68.868 -0.004 0.000 0.960 1704 T HN 0.688 nan 8.240 nan 0.000 0.448 1705 Q N 1.790 121.568 119.800 -0.037 0.000 2.395 1705 Q HA 0.197 4.536 4.340 -0.002 0.000 0.271 1705 Q C -0.143 175.850 176.000 -0.011 0.000 1.026 1705 Q CA 0.284 56.072 55.803 -0.025 0.000 0.900 1705 Q CB 0.547 29.268 28.738 -0.028 0.000 1.266 1705 Q HN 0.776 nan 8.270 nan 0.000 0.430 1706 E N 0.188 120.386 120.200 -0.003 0.000 2.447 1706 E HA 0.176 4.525 4.350 -0.002 0.000 0.251 1706 E C 1.005 177.608 176.600 0.005 0.000 0.910 1706 E CA 0.013 56.416 56.400 0.005 0.000 0.841 1706 E CB 1.251 30.959 29.700 0.012 0.000 1.403 1706 E HN 0.801 nan 8.360 nan 0.000 0.400 1707 S N 1.058 116.763 115.700 0.009 0.000 2.359 1707 S HA -0.227 4.242 4.470 -0.002 0.000 0.223 1707 S C 1.152 175.757 174.600 0.007 0.000 1.039 1707 S CA 1.825 60.030 58.200 0.008 0.000 1.042 1707 S CB -0.571 62.636 63.200 0.011 0.000 0.915 1707 S HN 0.581 nan 8.310 nan 0.000 0.439 1708 N N 1.639 120.345 118.700 0.010 0.000 2.410 1708 N HA 0.290 5.029 4.740 -0.002 0.000 0.231 1708 N C 1.031 176.545 175.510 0.008 0.000 1.172 1708 N CA 0.434 53.490 53.050 0.010 0.000 0.849 1708 N CB -0.591 37.905 38.487 0.014 0.000 1.116 1708 N HN 0.599 nan 8.380 nan 0.000 0.485 1709 G N -0.453 108.349 108.800 0.003 0.000 2.238 1709 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.270 1709 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.270 1709 G C -0.127 174.772 174.900 -0.001 0.000 0.977 1709 G CA 0.524 45.622 45.100 -0.003 0.000 0.639 1709 G HN 0.554 nan 8.290 nan 0.000 0.544 1710 E N -0.060 120.148 120.200 0.012 0.000 2.366 1710 E HA 0.465 4.813 4.350 -0.002 0.000 0.266 1710 E C 0.579 177.201 176.600 0.035 0.000 1.051 1710 E CA -0.401 56.019 56.400 0.032 0.000 0.884 1710 E CB 0.733 30.461 29.700 0.047 0.000 1.006 1710 E HN 0.321 nan 8.360 nan 0.000 0.417 1711 L N 3.074 124.342 121.223 0.074 0.000 2.276 1711 L HA 0.392 4.731 4.340 -0.002 0.000 0.286 1711 L C 0.018 176.873 176.870 -0.025 0.000 1.061 1711 L CA -0.164 54.693 54.840 0.027 0.000 0.807 1711 L CB 0.499 42.596 42.059 0.063 0.000 1.177 1711 L HN 0.359 nan 8.230 nan 0.000 0.429 1712 K N 2.697 123.047 120.400 -0.084 0.000 2.508 1712 K HA 0.484 4.803 4.320 -0.002 0.000 0.260 1712 K C -1.150 175.392 176.600 -0.097 0.000 0.949 1712 K CA -0.710 55.518 56.287 -0.097 0.000 0.834 1712 K CB 2.469 34.975 32.500 0.011 0.000 1.365 1712 K HN 0.149 nan 8.250 nan 0.000 0.437 1713 F N 2.478 122.441 119.950 0.023 0.000 2.529 1713 F HA 0.146 4.672 4.527 -0.002 0.000 0.365 1713 F C -1.611 174.216 175.800 0.045 0.000 1.102 1713 F CA -1.253 56.775 58.000 0.047 0.000 1.271 1713 F CB 0.460 39.516 39.000 0.093 0.000 1.120 1713 F HN 0.188 nan 8.300 nan 0.000 0.579 1714 P HA 0.223 nan 4.420 nan 0.000 0.282 1714 P C -0.655 176.716 177.300 0.117 0.000 1.274 1714 P CA -0.320 62.864 63.100 0.140 0.000 0.770 1714 P CB 0.884 32.650 31.700 0.109 0.000 0.867 1715 A N 0.000 122.875 122.820 0.091 0.000 2.254 1715 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 1715 A CA 0.000 52.077 52.037 0.067 0.000 0.836 1715 A CB 0.000 19.034 19.000 0.056 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486