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 3hoy_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKKDXXX XXXXEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXS KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.086 176.094 -0.013 0.000 1.182 2 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 2 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 3 G N 4.219 113.010 108.800 -0.016 0.000 2.623 3 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.241 3 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.241 3 G C 0.436 175.327 174.900 -0.013 0.000 1.114 3 G CA 1.441 46.531 45.100 -0.017 0.000 0.682 3 G HN 1.842 nan 8.290 nan 0.000 0.524 4 Q N -1.239 118.557 119.800 -0.008 0.000 3.001 4 Q HA -0.149 4.191 4.340 -0.000 0.000 0.029 4 Q C 0.154 176.160 176.000 0.011 0.000 1.641 4 Q CA 1.140 56.943 55.803 -0.001 0.000 0.227 4 Q CB -0.493 28.239 28.738 -0.009 0.000 2.254 4 Q HN 1.514 nan 8.270 nan 0.000 0.318 5 Q N -0.364 119.453 119.800 0.029 0.000 3.120 5 Q HA -0.205 4.135 4.340 -0.000 0.000 0.056 5 Q C -1.329 174.721 176.000 0.083 0.000 1.648 5 Q CA 0.387 56.221 55.803 0.052 0.000 0.302 5 Q CB -0.164 28.589 28.738 0.026 0.000 0.588 5 Q HN 0.499 nan 8.270 nan 0.000 0.322 6 Y N 2.784 123.078 120.300 -0.009 0.000 2.683 6 Y HA 0.257 4.807 4.550 -0.000 0.000 0.340 6 Y C -0.163 175.735 175.900 -0.003 0.000 1.245 6 Y CA 1.239 59.335 58.100 -0.006 0.000 1.485 6 Y CB 1.142 39.599 38.460 -0.004 0.000 1.328 6 Y HN 0.397 nan 8.280 nan 0.000 0.603 7 S N 3.263 118.443 115.700 -0.867 0.000 2.647 7 S HA 0.288 4.757 4.470 -0.000 0.000 0.300 7 S C 0.496 174.466 174.600 -1.050 0.000 1.129 7 S CA -0.214 57.541 58.200 -0.741 0.000 1.029 7 S CB 0.570 63.577 63.200 -0.321 0.000 1.007 7 S HN 0.877 nan 8.310 nan 0.000 0.484 8 S N 3.789 119.005 115.700 -0.807 0.000 2.440 8 S HA 0.023 4.493 4.470 -0.000 0.000 0.238 8 S C 1.059 175.544 174.600 -0.192 0.000 1.010 8 S CA 0.549 58.516 58.200 -0.389 0.000 0.972 8 S CB -0.679 62.450 63.200 -0.120 0.000 0.774 8 S HN 1.166 nan 8.310 nan 0.000 0.501 9 A N 4.028 126.731 122.820 -0.196 0.000 2.540 9 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 9 A C -1.372 176.171 177.584 -0.067 0.000 1.061 9 A CA -1.040 50.935 52.037 -0.102 0.000 0.758 9 A CB -0.431 18.513 19.000 -0.094 0.000 0.991 9 A HN 0.453 nan 8.150 nan 0.000 0.502 10 P HA 0.283 nan 4.420 nan 0.000 0.271 10 P C -0.877 176.414 177.300 -0.014 0.000 1.216 10 P CA -0.218 62.876 63.100 -0.009 0.000 0.776 10 P CB 0.817 32.515 31.700 -0.002 0.000 0.881 11 L N 3.656 124.877 121.223 -0.004 0.000 2.280 11 L HA 0.514 4.854 4.340 -0.000 0.000 0.287 11 L C -0.171 176.697 176.870 -0.005 0.000 1.023 11 L CA -0.183 54.652 54.840 -0.007 0.000 0.819 11 L CB 0.952 43.011 42.059 -0.001 0.000 1.212 11 L HN 0.321 nan 8.230 nan 0.000 0.420 12 R N 1.750 122.244 120.500 -0.011 0.000 2.950 12 R HA 0.766 5.106 4.340 -0.000 0.000 0.253 12 R C -0.509 175.781 176.300 -0.016 0.000 1.168 12 R CA -0.500 55.594 56.100 -0.011 0.000 1.014 12 R CB 1.667 31.960 30.300 -0.011 0.000 1.228 12 R HN 0.735 nan 8.270 nan 0.000 0.487 13 T N -2.107 112.437 114.554 -0.017 0.000 2.944 13 T HA 0.461 4.811 4.350 -0.000 0.000 0.284 13 T C 0.119 174.802 174.700 -0.028 0.000 1.010 13 T CA -0.777 61.309 62.100 -0.022 0.000 1.025 13 T CB 1.329 70.185 68.868 -0.020 0.000 1.079 13 T HN 0.127 nan 8.240 nan 0.000 0.516 14 V N 2.701 122.594 119.914 -0.035 0.000 2.498 14 V HA 0.293 4.413 4.120 -0.000 0.000 0.279 14 V C 0.981 177.051 176.094 -0.041 0.000 1.048 14 V CA -0.406 61.867 62.300 -0.045 0.000 0.967 14 V CB 1.112 32.901 31.823 -0.057 0.000 0.988 14 V HN 0.908 nan 8.190 nan 0.000 0.473 15 K N 2.652 123.027 120.400 -0.042 0.000 2.399 15 K HA 0.347 4.667 4.320 -0.000 0.000 0.196 15 K C 0.044 176.620 176.600 -0.040 0.000 1.117 15 K CA 0.249 56.517 56.287 -0.033 0.000 0.965 15 K CB 1.224 33.711 32.500 -0.022 0.000 0.983 15 K HN 0.698 nan 8.250 nan 0.000 0.531 16 E N 0.964 121.127 120.200 -0.062 0.000 2.321 16 E HA 0.297 4.647 4.350 -0.000 0.000 0.278 16 E C -1.400 175.112 176.600 -0.148 0.000 0.902 16 E CA -0.593 55.758 56.400 -0.081 0.000 0.758 16 E CB 3.100 32.761 29.700 -0.064 0.000 1.213 16 E HN -0.252 nan 8.360 nan 0.000 0.426 17 V N 2.692 122.489 119.914 -0.195 0.000 2.328 17 V HA 0.185 4.305 4.120 -0.000 0.000 0.278 17 V C -0.420 175.387 176.094 -0.478 0.000 1.021 17 V CA -0.649 61.418 62.300 -0.388 0.000 0.838 17 V CB 1.234 32.785 31.823 -0.453 0.000 0.999 17 V HN 0.558 nan 8.190 nan 0.000 0.447 18 Q N 4.913 124.409 119.800 -0.508 0.000 2.456 18 Q HA 0.435 4.775 4.340 -0.000 0.000 0.234 18 Q C -0.914 174.713 176.000 -0.621 0.000 1.061 18 Q CA -0.118 55.383 55.803 -0.502 0.000 0.896 18 Q CB 0.282 28.687 28.738 -0.554 0.000 1.233 18 Q HN 0.545 nan 8.270 nan 0.000 0.506 19 F N 1.672 121.458 119.950 -0.273 0.000 2.459 19 F HA 0.643 5.169 4.527 -0.000 0.000 0.346 19 F C 1.411 177.046 175.800 -0.275 0.000 1.128 19 F CA 1.194 59.051 58.000 -0.239 0.000 1.268 19 F CB 1.234 40.149 39.000 -0.142 0.000 1.161 19 F HN 0.615 nan 8.300 nan 0.000 0.583 20 G N 1.658 110.434 108.800 -0.040 0.000 2.495 20 G HA2 0.551 4.510 3.960 -0.000 0.000 0.294 20 G HA3 0.551 4.510 3.960 -0.000 0.000 0.294 20 G C -2.086 172.763 174.900 -0.086 0.000 1.397 20 G CA -1.029 44.036 45.100 -0.058 0.000 0.790 20 G HN 0.523 nan 8.290 nan 0.000 0.486 21 L N -0.028 121.152 121.223 -0.072 0.000 2.334 21 L HA 0.547 4.886 4.340 -0.000 0.000 0.273 21 L C -0.482 176.186 176.870 -0.336 0.000 1.013 21 L CA -0.813 53.957 54.840 -0.117 0.000 0.816 21 L CB 2.208 44.277 42.059 0.016 0.000 1.278 21 L HN 0.476 nan 8.230 nan 0.000 0.431 22 F N 1.208 120.965 119.950 -0.322 0.000 2.472 22 F HA 0.096 4.622 4.527 -0.000 0.000 0.364 22 F C 0.987 176.350 175.800 -0.728 0.000 1.090 22 F CA -0.498 57.243 58.000 -0.432 0.000 1.188 22 F CB 1.264 40.131 39.000 -0.222 0.000 1.105 22 F HN 0.526 nan 8.300 nan 0.000 0.536 23 S N 5.691 120.957 115.700 -0.724 0.000 2.565 23 S HA 0.233 4.703 4.470 -0.000 0.000 0.274 23 S C -1.588 172.896 174.600 -0.194 0.000 1.309 23 S CA -1.372 56.328 58.200 -0.833 0.000 1.043 23 S CB 1.457 64.412 63.200 -0.408 0.000 0.939 23 S HN 0.455 nan 8.310 nan 0.000 0.504 24 P HA -0.147 nan 4.420 nan 0.000 0.218 24 P C 0.663 177.959 177.300 -0.008 0.000 1.148 24 P CA 1.334 64.445 63.100 0.020 0.000 0.822 24 P CB 0.048 31.816 31.700 0.112 0.000 0.784 25 E N 0.076 120.301 120.200 0.041 0.000 2.208 25 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 25 E C 2.144 178.724 176.600 -0.035 0.000 0.988 25 E CA 0.844 57.257 56.400 0.022 0.000 0.828 25 E CB -0.586 29.161 29.700 0.079 0.000 0.763 25 E HN 0.485 nan 8.360 nan 0.000 0.478 26 E N 0.458 120.623 120.200 -0.058 0.000 2.028 26 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 26 E C 1.888 178.357 176.600 -0.219 0.000 0.984 26 E CA 1.083 57.435 56.400 -0.080 0.000 0.800 26 E CB 0.112 29.816 29.700 0.007 0.000 0.758 26 E HN 0.065 nan 8.360 nan 0.000 0.448 27 V N 1.597 121.285 119.914 -0.376 0.000 2.250 27 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 27 V C 2.540 178.451 176.094 -0.306 0.000 1.060 27 V CA 2.428 64.440 62.300 -0.480 0.000 1.030 27 V CB -0.738 30.840 31.823 -0.408 0.000 0.643 27 V HN 0.303 nan 8.190 nan 0.000 0.445 28 R N -0.170 120.167 120.500 -0.271 0.000 2.096 28 R HA -0.212 4.127 4.340 -0.000 0.000 0.240 28 R C 2.466 178.606 176.300 -0.266 0.000 1.139 28 R CA 1.661 57.533 56.100 -0.380 0.000 0.952 28 R CB -0.742 29.396 30.300 -0.270 0.000 0.854 28 R HN 0.581 nan 8.270 nan 0.000 0.436 29 A N 1.534 124.257 122.820 -0.162 0.000 1.849 29 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 29 A C 2.168 179.700 177.584 -0.087 0.000 1.202 29 A CA 1.610 53.588 52.037 -0.099 0.000 0.629 29 A CB -0.761 18.206 19.000 -0.056 0.000 0.834 29 A HN 0.403 nan 8.150 nan 0.000 0.447 30 I N -0.227 120.288 120.570 -0.092 0.000 2.264 30 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 30 I C 1.469 177.575 176.117 -0.019 0.000 1.111 30 I CA 1.100 62.369 61.300 -0.051 0.000 1.382 30 I CB -0.221 37.728 38.000 -0.084 0.000 1.060 30 I HN 0.372 nan 8.210 nan 0.000 0.418 31 S N -0.275 115.392 115.700 -0.056 0.000 2.558 31 S HA -0.005 4.465 4.470 -0.000 0.000 0.287 31 S C 0.822 175.436 174.600 0.024 0.000 1.321 31 S CA 0.335 58.547 58.200 0.021 0.000 1.048 31 S CB 1.119 64.307 63.200 -0.020 0.000 0.844 31 S HN 0.335 nan 8.310 nan 0.000 0.512 32 V N 1.248 121.201 119.914 0.065 0.000 3.432 32 V HA 0.782 4.901 4.120 -0.000 0.000 0.298 32 V C 0.148 176.258 176.094 0.027 0.000 1.464 32 V CA 0.327 62.637 62.300 0.016 0.000 1.046 32 V CB -0.574 31.229 31.823 -0.033 0.000 0.887 32 V HN 1.022 nan 8.190 nan 0.000 0.441 33 A N 0.079 122.947 122.820 0.079 0.000 2.566 33 A HA 0.807 5.127 4.320 -0.000 0.000 0.297 33 A C 0.156 177.827 177.584 0.146 0.000 1.059 33 A CA -0.474 51.604 52.037 0.069 0.000 0.691 33 A CB 1.859 20.876 19.000 0.029 0.000 1.282 33 A HN -0.005 nan 8.150 nan 0.000 0.401 34 K N 0.794 121.246 120.400 0.087 0.000 1.980 34 K HA 0.349 4.669 4.320 -0.000 0.000 0.208 34 K C 0.284 176.810 176.600 -0.123 0.000 1.043 34 K CA 1.423 57.739 56.287 0.047 0.000 0.938 34 K CB -0.320 32.204 32.500 0.040 0.000 0.724 34 K HN 0.912 nan 8.250 nan 0.000 0.438 35 I N 0.817 121.340 120.570 -0.078 0.000 6.958 35 I HA -0.306 3.864 4.170 -0.000 0.000 0.126 35 I C 0.380 176.485 176.117 -0.021 0.000 1.833 35 I CA 0.029 61.291 61.300 -0.064 0.000 2.037 35 I CB -0.396 37.562 38.000 -0.070 0.000 3.572 35 I HN 0.262 nan 8.210 nan 0.000 0.169 36 R N 2.801 123.364 120.500 0.104 0.000 2.194 36 R HA 0.272 4.612 4.340 -0.000 0.000 0.194 36 R C 0.154 176.680 176.300 0.377 0.000 0.985 36 R CA 0.388 56.639 56.100 0.251 0.000 1.104 36 R CB 0.305 30.840 30.300 0.392 0.000 1.092 36 R HN 0.197 nan 8.270 nan 0.000 0.555 37 F N 2.959 122.887 119.950 -0.038 0.000 2.427 37 F HA 0.221 4.748 4.527 -0.000 0.000 0.352 37 F C -1.281 174.503 175.800 -0.027 0.000 1.100 37 F CA -3.108 54.874 58.000 -0.029 0.000 1.191 37 F CB 0.533 39.519 39.000 -0.023 0.000 1.128 37 F HN -0.083 nan 8.300 nan 0.000 0.533 38 P HA -0.030 nan 4.420 nan 0.000 0.240 38 P C -0.018 177.323 177.300 0.068 0.000 1.190 38 P CA 0.578 63.715 63.100 0.062 0.000 0.781 38 P CB 0.473 32.181 31.700 0.014 0.000 0.931 39 E N -0.517 119.741 120.200 0.098 0.000 2.451 39 E HA 0.051 4.401 4.350 -0.000 0.000 0.256 39 E C 1.054 177.702 176.600 0.081 0.000 1.294 39 E CA 0.400 56.849 56.400 0.082 0.000 1.005 39 E CB 0.374 30.136 29.700 0.103 0.000 0.990 39 E HN -0.057 nan 8.360 nan 0.000 0.505 40 T N -1.163 113.431 114.554 0.067 0.000 3.114 40 T HA 0.167 4.517 4.350 -0.000 0.000 0.240 40 T C 0.936 175.658 174.700 0.036 0.000 0.983 40 T CA 0.558 62.691 62.100 0.054 0.000 1.151 40 T CB 0.347 69.254 68.868 0.066 0.000 0.974 40 T HN 0.400 nan 8.240 nan 0.000 0.442 41 M N -0.347 119.276 119.600 0.038 0.000 2.073 41 M HA 0.381 4.860 4.480 -0.000 0.000 0.423 41 M C -1.221 175.097 176.300 0.030 0.000 2.145 41 M CA -0.659 54.655 55.300 0.025 0.000 1.350 41 M CB 0.432 33.043 32.600 0.018 0.000 3.110 41 M HN -0.222 nan 8.290 nan 0.000 0.885 42 D N 3.400 123.814 120.400 0.024 0.000 3.441 42 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 42 D C -0.896 175.420 176.300 0.027 0.000 1.131 42 D CA 0.849 54.864 54.000 0.024 0.000 1.030 42 D CB -0.384 40.432 40.800 0.026 0.000 0.783 42 D HN 0.431 nan 8.370 nan 0.000 0.389 43 E N 1.020 121.231 120.200 0.019 0.000 2.443 43 E HA 0.120 4.470 4.350 -0.000 0.000 0.310 43 E C 0.138 176.752 176.600 0.023 0.000 1.202 43 E CA 0.002 56.414 56.400 0.020 0.000 1.301 43 E CB -0.307 29.397 29.700 0.007 0.000 1.104 43 E HN 0.334 nan 8.360 nan 0.000 0.487 44 T N 1.433 116.006 114.554 0.031 0.000 3.944 44 T HA -0.220 4.129 4.350 -0.000 0.000 0.376 44 T C 0.501 175.212 174.700 0.019 0.000 0.759 44 T CA 0.579 62.694 62.100 0.026 0.000 2.034 44 T CB -1.732 67.149 68.868 0.022 0.000 1.791 44 T HN 0.753 nan 8.240 nan 0.000 0.846 45 Q N -2.791 117.021 119.800 0.021 0.000 2.306 45 Q HA -0.197 4.143 4.340 -0.000 0.000 0.149 45 Q C 0.273 176.283 176.000 0.016 0.000 0.719 45 Q CA 1.965 57.778 55.803 0.018 0.000 1.328 45 Q CB -1.916 26.831 28.738 0.014 0.000 1.281 45 Q HN 0.773 nan 8.270 nan 0.000 0.978 46 T N 2.133 116.695 114.554 0.014 0.000 2.817 46 T HA 0.167 4.517 4.350 -0.000 0.000 0.295 46 T C 0.213 174.919 174.700 0.010 0.000 0.958 46 T CA -0.170 61.936 62.100 0.011 0.000 1.157 46 T CB 0.548 69.421 68.868 0.008 0.000 0.898 46 T HN 0.124 nan 8.240 nan 0.000 0.536 47 R N 2.315 122.821 120.500 0.010 0.000 2.404 47 R HA 0.432 4.772 4.340 -0.000 0.000 0.315 47 R C 0.308 176.609 176.300 0.002 0.000 1.032 47 R CA 0.049 56.154 56.100 0.008 0.000 0.992 47 R CB 0.061 30.366 30.300 0.009 0.000 0.959 47 R HN 0.872 nan 8.270 nan 0.000 0.428 48 A N 3.759 126.579 122.820 -0.000 0.000 5.463 48 A HA 0.415 4.735 4.320 -0.000 0.000 0.118 48 A C -1.414 176.165 177.584 -0.008 0.000 1.089 48 A CA -0.658 51.375 52.037 -0.007 0.000 1.812 48 A CB 0.982 19.977 19.000 -0.009 0.000 2.637 48 A HN 0.502 nan 8.150 nan 0.000 1.194 49 K N 0.393 120.784 120.400 -0.015 0.000 2.565 49 K HA 0.554 4.873 4.320 -0.000 0.000 0.251 49 K C -1.416 175.163 176.600 -0.035 0.000 0.956 49 K CA -0.323 55.953 56.287 -0.019 0.000 0.809 49 K CB 2.111 34.597 32.500 -0.024 0.000 1.267 49 K HN 0.537 nan 8.250 nan 0.000 0.438 50 I N 1.291 121.840 120.570 -0.036 0.000 2.696 50 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 50 I C 1.656 177.683 176.117 -0.149 0.000 1.129 50 I CA 0.354 61.605 61.300 -0.081 0.000 1.410 50 I CB 0.852 38.823 38.000 -0.048 0.000 1.399 50 I HN 0.958 nan 8.210 nan 0.000 0.579 51 G N 3.949 112.614 108.800 -0.225 0.000 2.843 51 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.205 51 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.205 51 G C 1.084 175.775 174.900 -0.349 0.000 1.160 51 G CA 0.585 45.537 45.100 -0.246 0.000 0.819 51 G HN 0.921 nan 8.290 nan 0.000 0.516 52 G N -0.072 108.501 108.800 -0.377 0.000 2.670 52 G HA2 0.321 4.281 3.960 -0.000 0.000 0.219 52 G HA3 0.321 4.281 3.960 -0.000 0.000 0.219 52 G C 0.609 175.464 174.900 -0.074 0.000 1.342 52 G CA -0.009 44.910 45.100 -0.302 0.000 0.902 52 G HN 0.381 nan 8.290 nan 0.000 0.553 53 L N -0.076 121.141 121.223 -0.010 0.000 2.492 53 L HA 0.348 4.688 4.340 -0.000 0.000 0.263 53 L C -0.001 176.859 176.870 -0.017 0.000 1.062 53 L CA -0.812 54.028 54.840 0.001 0.000 0.817 53 L CB 0.972 43.049 42.059 0.030 0.000 1.441 53 L HN 0.520 nan 8.230 nan 0.000 0.493 54 N N 1.782 120.473 118.700 -0.015 0.000 1.982 54 N HA -0.267 4.473 4.740 -0.000 0.000 0.354 54 N C -0.601 174.893 175.510 -0.027 0.000 1.170 54 N CA 1.417 54.452 53.050 -0.025 0.000 0.800 54 N CB -0.832 37.640 38.487 -0.024 0.000 1.027 54 N HN 0.695 nan 8.380 nan 0.000 0.549 55 D N 0.563 120.946 120.400 -0.029 0.000 3.293 55 D HA -0.088 4.552 4.640 -0.000 0.000 0.252 55 D C -2.461 173.816 176.300 -0.039 0.000 1.073 55 D CA 0.470 54.455 54.000 -0.025 0.000 0.957 55 D CB -0.174 40.614 40.800 -0.020 0.000 0.987 55 D HN 0.608 nan 8.370 nan 0.000 0.422 56 P HA 0.386 nan 4.420 nan 0.000 0.266 56 P C -0.121 177.151 177.300 -0.046 0.000 1.561 56 P CA -0.139 62.919 63.100 -0.070 0.000 1.089 56 P CB 0.515 32.164 31.700 -0.084 0.000 1.534 57 R N -3.915 116.567 120.500 -0.030 0.000 1.759 57 R HA -0.010 4.330 4.340 -0.000 0.000 0.420 57 R C 0.509 176.810 176.300 0.002 0.000 0.266 57 R CA 0.026 56.112 56.100 -0.024 0.000 1.395 57 R CB -1.843 28.435 30.300 -0.037 0.000 1.943 57 R HN 0.096 nan 8.270 nan 0.000 0.224 58 L N -0.232 121.004 121.223 0.022 0.000 2.469 58 L HA 0.301 4.641 4.340 -0.000 0.000 0.172 58 L C 2.123 179.055 176.870 0.104 0.000 1.042 58 L CA 0.463 55.346 54.840 0.073 0.000 0.992 58 L CB -0.503 41.567 42.059 0.018 0.000 1.556 58 L HN 0.225 nan 8.230 nan 0.000 0.497 59 G N -1.005 107.837 108.800 0.071 0.000 2.199 59 G HA2 0.123 4.083 3.960 -0.000 0.000 0.364 59 G HA3 0.123 4.083 3.960 -0.000 0.000 0.364 59 G C 0.060 174.971 174.900 0.019 0.000 1.465 59 G CA 0.519 45.641 45.100 0.036 0.000 1.049 59 G HN 0.550 nan 8.290 nan 0.000 0.522 60 S N -2.708 112.984 115.700 -0.012 0.000 2.819 60 S HA 0.753 5.222 4.470 -0.000 0.000 0.299 60 S C -1.220 173.361 174.600 -0.031 0.000 1.192 60 S CA -0.722 57.468 58.200 -0.016 0.000 0.847 60 S CB 1.011 64.206 63.200 -0.008 0.000 1.224 60 S HN 0.619 nan 8.310 nan 0.000 0.537 61 I N 0.592 121.144 120.570 -0.030 0.000 3.021 61 I HA 0.401 4.571 4.170 -0.000 0.000 0.305 61 I C -0.848 175.250 176.117 -0.033 0.000 1.434 61 I CA -0.541 60.736 61.300 -0.038 0.000 0.969 61 I CB 2.153 40.128 38.000 -0.041 0.000 1.328 61 I HN 0.769 nan 8.210 nan 0.000 0.486 62 D N 1.724 122.102 120.400 -0.037 0.000 2.839 62 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 62 D C 0.143 176.427 176.300 -0.026 0.000 0.988 62 D CA 0.915 54.897 54.000 -0.030 0.000 1.009 62 D CB -0.199 40.587 40.800 -0.024 0.000 1.067 62 D HN 0.802 nan 8.370 nan 0.000 0.444 63 R N -0.473 120.011 120.500 -0.027 0.000 3.188 63 R HA -0.233 4.107 4.340 -0.000 0.000 0.247 63 R C -0.437 175.852 176.300 -0.018 0.000 0.918 63 R CA 1.036 57.122 56.100 -0.023 0.000 0.629 63 R CB -2.132 28.154 30.300 -0.024 0.000 1.087 63 R HN 0.230 nan 8.270 nan 0.000 0.462 64 N N 0.856 119.546 118.700 -0.016 0.000 2.682 64 N HA 0.221 4.961 4.740 -0.000 0.000 0.252 64 N C 0.997 176.501 175.510 -0.009 0.000 1.081 64 N CA -0.558 52.485 53.050 -0.013 0.000 0.844 64 N CB 0.740 39.218 38.487 -0.014 0.000 1.167 64 N HN 0.224 nan 8.380 nan 0.000 0.523 65 L N 0.356 121.575 121.223 -0.007 0.000 2.256 65 L HA -0.279 4.061 4.340 -0.000 0.000 0.218 65 L C 1.296 178.167 176.870 0.001 0.000 1.089 65 L CA 1.258 56.096 54.840 -0.003 0.000 0.777 65 L CB -0.456 41.602 42.059 -0.002 0.000 0.890 65 L HN 0.453 nan 8.230 nan 0.000 0.439 66 K N -0.430 119.969 120.400 -0.002 0.000 2.544 66 K HA -0.154 4.166 4.320 -0.000 0.000 0.274 66 K C 0.317 176.922 176.600 0.008 0.000 0.962 66 K CA 0.910 57.196 56.287 -0.001 0.000 0.946 66 K CB 0.250 32.746 32.500 -0.007 0.000 0.905 66 K HN 0.378 nan 8.250 nan 0.000 0.521 67 C N 1.870 121.175 119.300 0.008 0.000 2.097 67 C HA -0.052 4.408 4.460 -0.000 0.000 0.379 67 C C -1.179 173.812 174.990 0.002 0.000 0.641 67 C CA 0.122 59.157 59.018 0.027 0.000 0.818 67 C CB -1.981 25.798 27.740 0.064 0.000 1.018 67 C HN 1.011 nan 8.230 nan 0.000 0.779 68 Q N 1.470 121.256 119.800 -0.023 0.000 2.423 68 Q HA -0.171 4.168 4.340 -0.000 0.000 0.368 68 Q C 0.802 176.775 176.000 -0.044 0.000 1.371 68 Q CA 2.111 57.885 55.803 -0.048 0.000 1.106 68 Q CB -2.215 26.469 28.738 -0.089 0.000 1.263 68 Q HN 1.633 nan 8.270 nan 0.000 0.325 69 T N -1.988 112.551 114.554 -0.024 0.000 12.971 69 T HA -0.518 3.832 4.350 -0.000 0.000 0.419 69 T C 1.729 176.427 174.700 -0.004 0.000 1.442 69 T CA 3.111 65.202 62.100 -0.016 0.000 2.370 69 T CB -1.977 66.878 68.868 -0.021 0.000 2.822 69 T HN 1.432 nan 8.240 nan 0.000 0.691 70 C N 3.835 123.132 119.300 -0.004 0.000 2.353 70 C HA -0.419 4.040 4.460 -0.000 0.000 0.249 70 C C 2.357 177.366 174.990 0.032 0.000 1.038 70 C CA 3.955 62.990 59.018 0.027 0.000 1.890 70 C CB -2.130 25.655 27.740 0.075 0.000 2.158 70 C HN 1.341 nan 8.230 nan 0.000 0.424 71 Q N -1.753 118.064 119.800 0.028 0.000 2.015 71 Q HA -0.440 3.899 4.340 -0.000 0.000 0.393 71 Q C 0.914 176.927 176.000 0.021 0.000 0.701 71 Q CA 2.509 58.323 55.803 0.019 0.000 0.921 71 Q CB -1.635 27.108 28.738 0.009 0.000 2.909 71 Q HN 0.671 nan 8.270 nan 0.000 0.814 72 E N -0.685 119.523 120.200 0.012 0.000 4.807 72 E HA -0.284 4.066 4.350 -0.000 0.000 0.171 72 E C 0.863 177.464 176.600 0.001 0.000 1.266 72 E CA 3.192 59.596 56.400 0.007 0.000 2.327 72 E CB -1.947 27.759 29.700 0.011 0.000 1.829 72 E HN 1.903 nan 8.360 nan 0.000 0.414 73 G N 0.419 109.220 108.800 0.002 0.000 2.721 73 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.686 73 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.686 73 G C 0.516 175.407 174.900 -0.016 0.000 1.236 73 G CA 0.829 45.925 45.100 -0.007 0.000 0.786 73 G HN 0.273 nan 8.290 nan 0.000 0.616 74 M N 0.510 120.097 119.600 -0.021 0.000 3.351 74 M HA -0.327 4.153 4.480 -0.000 0.000 0.281 74 M C 1.431 177.710 176.300 -0.035 0.000 0.716 74 M CA 2.917 58.198 55.300 -0.031 0.000 0.900 74 M CB -0.618 31.962 32.600 -0.032 0.000 1.592 74 M HN 1.158 nan 8.290 nan 0.000 0.540 75 N N 0.257 118.939 118.700 -0.031 0.000 2.414 75 N HA 0.252 4.992 4.740 -0.000 0.000 0.256 75 N C 0.328 175.821 175.510 -0.027 0.000 1.029 75 N CA 1.094 54.125 53.050 -0.031 0.000 0.948 75 N CB 1.486 39.956 38.487 -0.028 0.000 1.102 75 N HN 0.531 nan 8.380 nan 0.000 0.496 76 E N 1.942 122.123 120.200 -0.032 0.000 3.430 76 E HA -0.174 4.175 4.350 -0.000 0.000 0.127 76 E C -0.938 175.640 176.600 -0.036 0.000 0.661 76 E CA 0.182 56.566 56.400 -0.028 0.000 3.042 76 E CB -1.352 28.338 29.700 -0.017 0.000 1.209 76 E HN 0.538 nan 8.360 nan 0.000 0.765 77 C N 5.022 124.299 119.300 -0.038 0.000 2.624 77 C HA 0.547 5.007 4.460 -0.000 0.000 0.397 77 C C -1.456 173.455 174.990 -0.131 0.000 1.331 77 C CA -0.886 58.092 59.018 -0.066 0.000 1.716 77 C CB -0.337 27.382 27.740 -0.035 0.000 2.452 77 C HN 0.407 nan 8.230 nan 0.000 0.586 78 P HA 0.352 nan 4.420 nan 0.000 0.312 78 P C 0.178 177.300 177.300 -0.296 0.000 1.308 78 P CA 0.095 63.094 63.100 -0.168 0.000 0.743 78 P CB 0.449 32.078 31.700 -0.119 0.000 1.364 79 G N -1.215 107.450 108.800 -0.225 0.000 2.572 79 G HA2 0.303 4.263 3.960 -0.000 0.000 0.261 79 G HA3 0.303 4.263 3.960 -0.000 0.000 0.261 79 G C -0.694 173.999 174.900 -0.344 0.000 1.197 79 G CA -0.150 44.789 45.100 -0.269 0.000 0.870 79 G HN 0.520 nan 8.290 nan 0.000 0.548 80 H N 0.312 119.371 119.070 -0.019 0.000 2.800 80 H HA 0.288 4.844 4.556 -0.000 0.000 0.322 80 H C -0.552 174.793 175.328 0.028 0.000 0.979 80 H CA -0.807 55.271 56.048 0.050 0.000 1.277 80 H CB 0.975 30.753 29.762 0.026 0.000 1.484 80 H HN 0.266 nan 8.280 nan 0.000 0.512 81 F N 1.071 121.103 119.950 0.137 0.000 2.490 81 F HA 0.359 4.886 4.527 -0.000 0.000 0.336 81 F C 1.504 177.348 175.800 0.074 0.000 1.178 81 F CA 1.034 59.086 58.000 0.086 0.000 1.301 81 F CB 0.866 39.902 39.000 0.060 0.000 1.175 81 F HN 0.547 nan 8.300 nan 0.000 0.593 82 G N -0.176 108.772 108.800 0.246 0.000 3.015 82 G HA2 0.615 4.575 3.960 -0.000 0.000 0.281 82 G HA3 0.615 4.575 3.960 -0.000 0.000 0.281 82 G C -1.835 173.225 174.900 0.265 0.000 1.386 82 G CA -0.682 44.538 45.100 0.199 0.000 0.959 82 G HN 0.848 nan 8.290 nan 0.000 0.522 83 H N -2.399 116.699 119.070 0.047 0.000 2.931 83 H HA 0.818 5.373 4.556 -0.000 0.000 0.331 83 H C -1.492 173.849 175.328 0.022 0.000 1.273 83 H CA -1.179 54.888 56.048 0.031 0.000 1.171 83 H CB 2.460 32.222 29.762 0.000 0.000 1.898 83 H HN 0.610 nan 8.280 nan 0.000 0.562 84 I N 1.626 122.086 120.570 -0.183 0.000 2.622 84 I HA 0.110 4.280 4.170 -0.000 0.000 0.283 84 I C -1.452 174.613 176.117 -0.087 0.000 1.202 84 I CA -0.583 60.587 61.300 -0.217 0.000 1.075 84 I CB 1.553 39.492 38.000 -0.102 0.000 1.274 84 I HN 0.707 nan 8.210 nan 0.000 0.450 85 D N 8.938 129.279 120.400 -0.097 0.000 2.398 85 D HA 0.228 4.868 4.640 -0.000 0.000 0.250 85 D C 0.466 176.777 176.300 0.018 0.000 1.287 85 D CA 0.160 54.174 54.000 0.022 0.000 0.992 85 D CB 0.764 41.595 40.800 0.051 0.000 1.071 85 D HN 0.445 nan 8.370 nan 0.000 0.514 86 L N 1.020 122.262 121.223 0.032 0.000 2.503 86 L HA -0.073 4.267 4.340 -0.000 0.000 0.287 86 L C 1.714 178.603 176.870 0.032 0.000 1.252 86 L CA -0.130 54.727 54.840 0.030 0.000 0.835 86 L CB 0.309 42.395 42.059 0.045 0.000 1.099 86 L HN 0.328 nan 8.230 nan 0.000 0.516 87 A N 1.321 124.156 122.820 0.024 0.000 2.132 87 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 87 A C 0.618 178.216 177.584 0.022 0.000 1.154 87 A CA 0.784 52.835 52.037 0.024 0.000 0.753 87 A CB 0.135 19.145 19.000 0.017 0.000 0.826 87 A HN 0.586 nan 8.150 nan 0.000 0.469 88 K N -0.162 120.250 120.400 0.021 0.000 2.546 88 K HA 0.369 4.689 4.320 -0.000 0.000 0.264 88 K C -3.337 173.276 176.600 0.022 0.000 0.937 88 K CA -2.060 54.236 56.287 0.014 0.000 0.833 88 K CB 2.078 34.574 32.500 -0.006 0.000 1.378 88 K HN -0.079 nan 8.250 nan 0.000 0.432 89 P HA 0.144 nan 4.420 nan 0.000 0.268 89 P C -0.497 176.817 177.300 0.022 0.000 1.205 89 P CA -0.245 62.886 63.100 0.053 0.000 0.771 89 P CB 0.689 32.425 31.700 0.061 0.000 0.858 90 V N 3.001 122.959 119.914 0.074 0.000 2.962 90 V HA 0.348 4.468 4.120 -0.000 0.000 0.313 90 V C 0.579 176.812 176.094 0.231 0.000 1.099 90 V CA -0.735 61.591 62.300 0.044 0.000 0.971 90 V CB 1.415 33.274 31.823 0.059 0.000 1.028 90 V HN 0.332 nan 8.190 nan 0.000 0.430 91 F N 1.138 121.152 119.950 0.106 0.000 2.228 91 F HA 0.355 4.882 4.527 -0.000 0.000 0.280 91 F C 0.847 176.756 175.800 0.182 0.000 1.235 91 F CA -0.157 57.931 58.000 0.147 0.000 1.235 91 F CB -0.033 39.039 39.000 0.121 0.000 1.506 91 F HN 0.595 nan 8.300 nan 0.000 0.502 92 H N 0.844 120.083 119.070 0.281 0.000 2.974 92 H HA 0.287 4.843 4.556 -0.000 0.000 0.285 92 H C 0.667 175.945 175.328 -0.083 0.000 1.227 92 H CA -0.273 55.821 56.048 0.075 0.000 1.569 92 H CB 0.661 30.473 29.762 0.083 0.000 1.648 92 H HN 0.353 nan 8.280 nan 0.000 0.521 93 V N 3.165 123.035 119.914 -0.073 0.000 2.310 93 V HA -0.396 3.723 4.120 -0.000 0.000 0.263 93 V C 2.393 178.422 176.094 -0.108 0.000 1.108 93 V CA 2.523 64.781 62.300 -0.071 0.000 1.104 93 V CB -1.581 30.164 31.823 -0.129 0.000 0.736 93 V HN 0.646 nan 8.190 nan 0.000 0.456 94 G N -0.535 108.089 108.800 -0.294 0.000 2.442 94 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.219 94 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.219 94 G C 1.212 175.863 174.900 -0.415 0.000 1.141 94 G CA 1.086 45.861 45.100 -0.542 0.000 0.763 94 G HN 0.651 nan 8.290 nan 0.000 0.554 95 F N -0.019 119.903 119.950 -0.048 0.000 2.660 95 F HA 0.404 4.931 4.527 -0.000 0.000 0.302 95 F C 2.024 177.757 175.800 -0.111 0.000 1.103 95 F CA -0.711 57.224 58.000 -0.108 0.000 1.340 95 F CB 0.192 39.100 39.000 -0.152 0.000 1.048 95 F HN 0.022 nan 8.300 nan 0.000 0.551 96 I N 0.608 121.200 120.570 0.035 0.000 2.208 96 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 96 I C 2.731 178.826 176.117 -0.036 0.000 1.097 96 I CA 1.306 62.561 61.300 -0.076 0.000 1.363 96 I CB -0.349 37.666 38.000 0.024 0.000 1.051 96 I HN 0.235 nan 8.210 nan 0.000 0.413 97 A N 0.367 123.195 122.820 0.014 0.000 1.883 97 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 97 A C 2.372 179.958 177.584 0.002 0.000 1.186 97 A CA 2.053 54.093 52.037 0.006 0.000 0.624 97 A CB -0.524 18.476 19.000 0.001 0.000 0.822 97 A HN 0.335 nan 8.150 nan 0.000 0.444 98 K N -0.587 119.829 120.400 0.027 0.000 2.062 98 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 98 K C 1.889 178.544 176.600 0.093 0.000 1.051 98 K CA 1.151 57.453 56.287 0.025 0.000 0.941 98 K CB -0.275 32.200 32.500 -0.042 0.000 0.719 98 K HN 0.527 nan 8.250 nan 0.000 0.440 99 I N 1.434 122.043 120.570 0.065 0.000 2.118 99 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 99 I C 2.626 178.834 176.117 0.151 0.000 1.070 99 I CA 1.286 62.668 61.300 0.136 0.000 1.327 99 I CB -0.423 37.483 38.000 -0.157 0.000 1.034 99 I HN 0.248 nan 8.210 nan 0.000 0.405 100 K N 1.810 122.235 120.400 0.043 0.000 1.988 100 K HA -0.253 4.067 4.320 -0.000 0.000 0.221 100 K C 2.066 178.774 176.600 0.180 0.000 1.053 100 K CA 1.960 58.301 56.287 0.091 0.000 0.959 100 K CB -0.282 32.262 32.500 0.074 0.000 0.728 100 K HN 0.255 nan 8.250 nan 0.000 0.447 101 K N 0.320 120.815 120.400 0.159 0.000 2.152 101 K HA -0.116 4.203 4.320 -0.000 0.000 0.206 101 K C 2.045 178.832 176.600 0.313 0.000 1.048 101 K CA 1.226 57.632 56.287 0.199 0.000 0.933 101 K CB -0.045 32.343 32.500 -0.186 0.000 0.721 101 K HN 0.037 nan 8.250 nan 0.000 0.447 102 V N 0.563 120.669 119.914 0.320 0.000 2.453 102 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 102 V C 2.358 178.635 176.094 0.305 0.000 1.048 102 V CA 1.346 63.820 62.300 0.289 0.000 1.049 102 V CB -0.316 31.546 31.823 0.065 0.000 0.672 102 V HN 0.427 nan 8.190 nan 0.000 0.457 103 C N 0.270 119.779 119.300 0.349 0.000 2.436 103 C HA -0.151 4.308 4.460 -0.000 0.000 0.277 103 C C 2.611 177.703 174.990 0.169 0.000 1.241 103 C CA 1.043 60.211 59.018 0.250 0.000 1.721 103 C CB -1.048 26.774 27.740 0.135 0.000 2.043 103 C HN 0.625 nan 8.230 nan 0.000 0.472 104 E N -0.706 119.608 120.200 0.189 0.000 2.333 104 E HA -0.236 4.114 4.350 -0.000 0.000 0.200 104 E C 1.885 178.544 176.600 0.099 0.000 1.010 104 E CA 1.237 57.722 56.400 0.142 0.000 0.841 104 E CB -0.215 29.639 29.700 0.257 0.000 0.757 104 E HN 0.699 nan 8.360 nan 0.000 0.508 105 C N 0.209 119.597 119.300 0.148 0.000 2.611 105 C HA 0.148 4.607 4.460 -0.000 0.000 0.282 105 C C 1.035 176.064 174.990 0.065 0.000 1.321 105 C CA -0.363 58.703 59.018 0.081 0.000 1.747 105 C CB 0.338 28.120 27.740 0.071 0.000 2.124 105 C HN 0.043 nan 8.230 nan 0.000 0.531 106 V N 0.189 120.164 119.914 0.102 0.000 2.667 106 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 106 V C -0.032 176.119 176.094 0.094 0.000 1.048 106 V CA -0.741 61.618 62.300 0.099 0.000 0.928 106 V CB 1.504 33.409 31.823 0.137 0.000 1.004 106 V HN 0.448 nan 8.190 nan 0.000 0.444 107 C N 6.762 126.114 119.300 0.086 0.000 2.536 107 C HA 0.477 4.937 4.460 -0.000 0.000 0.396 107 C C 0.653 175.701 174.990 0.097 0.000 1.279 107 C CA -0.707 58.369 59.018 0.097 0.000 2.148 107 C CB -0.161 27.645 27.740 0.110 0.000 2.584 107 C HN 0.806 nan 8.230 nan 0.000 0.579 108 M N 4.997 124.639 119.600 0.070 0.000 1.921 108 M HA 0.289 4.769 4.480 -0.000 0.000 0.243 108 M C 1.464 177.726 176.300 -0.062 0.000 1.280 108 M CA 0.439 55.676 55.300 -0.105 0.000 0.988 108 M CB -0.544 31.856 32.600 -0.332 0.000 1.336 108 M HN 0.961 nan 8.290 nan 0.000 0.496 109 H N -1.076 118.068 119.070 0.123 0.000 4.988 109 H HA -0.247 4.309 4.556 -0.000 0.000 0.062 109 H C 1.696 177.074 175.328 0.084 0.000 0.573 109 H CA 2.413 58.520 56.048 0.100 0.000 0.989 109 H CB -1.662 28.155 29.762 0.091 0.000 0.461 109 H HN 0.875 nan 8.280 nan 0.000 0.781 110 C N 1.272 120.678 119.300 0.176 0.000 2.525 110 C HA 0.634 5.094 4.460 -0.000 0.000 0.291 110 C C 1.789 176.824 174.990 0.075 0.000 1.351 110 C CA 1.445 60.517 59.018 0.091 0.000 1.771 110 C CB 0.137 27.921 27.740 0.074 0.000 2.177 110 C HN 1.473 nan 8.230 nan 0.000 0.510 111 G N 1.833 110.696 108.800 0.106 0.000 2.370 111 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.268 111 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.268 111 G C -0.416 174.544 174.900 0.100 0.000 1.122 111 G CA 0.515 45.691 45.100 0.127 0.000 0.963 111 G HN 1.114 nan 8.290 nan 0.000 0.500 112 K N 0.056 120.505 120.400 0.081 0.000 2.482 112 K HA 0.734 5.053 4.320 -0.000 0.000 0.257 112 K C 0.726 177.359 176.600 0.055 0.000 0.969 112 K CA -1.299 55.023 56.287 0.058 0.000 0.842 112 K CB 1.410 33.934 32.500 0.041 0.000 1.359 112 K HN 0.125 nan 8.250 nan 0.000 0.441 113 L N 2.458 123.704 121.223 0.040 0.000 2.477 113 L HA -0.079 4.261 4.340 -0.000 0.000 0.289 113 L C 0.883 177.772 176.870 0.031 0.000 1.279 113 L CA 0.353 55.212 54.840 0.032 0.000 0.825 113 L CB 0.172 42.242 42.059 0.018 0.000 1.085 113 L HN 0.679 nan 8.230 nan 0.000 0.548 114 L N 2.046 123.282 121.223 0.020 0.000 2.766 114 L HA 0.308 4.647 4.340 -0.000 0.000 0.242 114 L C -0.376 176.501 176.870 0.012 0.000 1.136 114 L CA 0.097 54.947 54.840 0.017 0.000 0.933 114 L CB 0.149 42.210 42.059 0.004 0.000 1.241 114 L HN 0.394 nan 8.230 nan 0.000 0.522 115 L N 0.577 121.806 121.223 0.010 0.000 2.568 115 L HA 0.285 4.625 4.340 -0.000 0.000 0.262 115 L C -1.004 175.870 176.870 0.007 0.000 0.980 115 L CA -0.610 54.237 54.840 0.012 0.000 0.882 115 L CB 1.792 43.849 42.059 -0.003 0.000 1.198 115 L HN -0.002 nan 8.230 nan 0.000 0.425 116 D N 0.707 121.117 120.400 0.016 0.000 2.356 116 D HA 0.109 4.749 4.640 -0.000 0.000 0.258 116 D C 0.698 176.958 176.300 -0.066 0.000 1.279 116 D CA -0.490 53.483 54.000 -0.045 0.000 1.016 116 D CB 0.916 41.664 40.800 -0.086 0.000 1.107 116 D HN 0.376 nan 8.370 nan 0.000 0.544 117 E N -0.821 119.284 120.200 -0.160 0.000 2.418 117 E HA -0.117 4.232 4.350 -0.000 0.000 0.197 117 E C 1.487 178.041 176.600 -0.076 0.000 1.026 117 E CA 0.670 56.998 56.400 -0.119 0.000 0.862 117 E CB -0.127 29.484 29.700 -0.148 0.000 0.799 117 E HN 0.347 nan 8.360 nan 0.000 0.518 118 H N 0.525 119.593 119.070 -0.003 0.000 2.290 118 H HA -0.065 4.490 4.556 -0.000 0.000 0.298 118 H C 1.095 176.420 175.328 -0.004 0.000 1.087 118 H CA 1.057 57.103 56.048 -0.003 0.000 1.291 118 H CB -0.497 29.263 29.762 -0.004 0.000 1.369 118 H HN 0.140 nan 8.280 nan 0.000 0.492 119 N N 1.439 120.211 118.700 0.120 0.000 2.492 119 N HA -0.091 4.649 4.740 -0.000 0.000 0.260 119 N C 1.231 176.762 175.510 0.035 0.000 1.215 119 N CA 0.216 53.302 53.050 0.060 0.000 0.923 119 N CB 1.656 40.165 38.487 0.036 0.000 1.092 119 N HN 0.319 nan 8.380 nan 0.000 0.448 120 E N 4.019 124.235 120.200 0.027 0.000 1.998 120 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 120 E C 1.840 178.446 176.600 0.010 0.000 0.994 120 E CA 1.035 57.446 56.400 0.018 0.000 0.835 120 E CB -0.583 29.126 29.700 0.015 0.000 0.786 120 E HN 0.689 nan 8.360 nan 0.000 0.467 121 L N -0.085 121.142 121.223 0.007 0.000 2.123 121 L HA -0.295 4.045 4.340 -0.000 0.000 0.217 121 L C 2.644 179.515 176.870 0.003 0.000 1.081 121 L CA 1.701 56.543 54.840 0.003 0.000 0.772 121 L CB -0.405 41.652 42.059 -0.003 0.000 0.890 121 L HN 0.458 nan 8.230 nan 0.000 0.437 122 M N -0.240 119.361 119.600 0.001 0.000 2.059 122 M HA -0.237 4.243 4.480 -0.000 0.000 0.259 122 M C 2.245 178.547 176.300 0.003 0.000 1.072 122 M CA 1.856 57.155 55.300 -0.000 0.000 1.117 122 M CB -0.455 32.145 32.600 -0.001 0.000 1.320 122 M HN -0.030 nan 8.290 nan 0.000 0.408 123 R N -0.373 120.129 120.500 0.002 0.000 2.159 123 R HA -0.266 4.073 4.340 -0.000 0.000 0.252 123 R C 2.354 178.658 176.300 0.007 0.000 1.144 123 R CA 2.398 58.499 56.100 0.001 0.000 0.961 123 R CB -0.622 29.679 30.300 0.002 0.000 0.877 123 R HN 0.636 nan 8.270 nan 0.000 0.444 124 Q N -0.602 119.203 119.800 0.010 0.000 2.045 124 Q HA -0.214 4.125 4.340 -0.000 0.000 0.206 124 Q C 2.238 178.249 176.000 0.019 0.000 0.991 124 Q CA 1.887 57.698 55.803 0.014 0.000 0.851 124 Q CB -0.244 28.503 28.738 0.014 0.000 0.911 124 Q HN 0.427 nan 8.270 nan 0.000 0.418 125 A N 1.029 123.861 122.820 0.019 0.000 1.858 125 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 125 A C 2.101 179.704 177.584 0.030 0.000 1.190 125 A CA 1.172 53.225 52.037 0.027 0.000 0.617 125 A CB -0.881 18.133 19.000 0.023 0.000 0.827 125 A HN 0.334 nan 8.150 nan 0.000 0.443 126 L N -0.832 120.404 121.223 0.022 0.000 2.450 126 L HA -0.222 4.118 4.340 -0.000 0.000 0.225 126 L C 2.739 179.622 176.870 0.022 0.000 1.145 126 L CA 0.717 55.570 54.840 0.022 0.000 0.801 126 L CB -0.296 41.768 42.059 0.007 0.000 0.924 126 L HN 0.507 nan 8.230 nan 0.000 0.447 127 A N -0.338 122.495 122.820 0.021 0.000 1.956 127 A HA 0.133 4.452 4.320 -0.000 0.000 0.212 127 A C 1.217 178.818 177.584 0.028 0.000 1.188 127 A CA -0.214 51.835 52.037 0.020 0.000 0.675 127 A CB -0.143 18.867 19.000 0.017 0.000 0.845 127 A HN 0.218 nan 8.150 nan 0.000 0.455 128 I N 2.090 122.680 120.570 0.033 0.000 3.197 128 I HA -0.139 4.031 4.170 -0.000 0.000 0.293 128 I C -0.156 175.987 176.117 0.043 0.000 1.227 128 I CA 0.586 61.909 61.300 0.039 0.000 1.369 128 I CB -0.149 37.879 38.000 0.047 0.000 1.441 128 I HN 0.230 nan 8.210 nan 0.000 0.539 129 K N 6.624 127.047 120.400 0.037 0.000 2.316 129 K HA 0.177 4.497 4.320 -0.000 0.000 0.289 129 K C -0.204 176.420 176.600 0.040 0.000 1.070 129 K CA -0.053 56.256 56.287 0.037 0.000 0.928 129 K CB 0.524 33.043 32.500 0.031 0.000 1.039 129 K HN 0.492 nan 8.250 nan 0.000 0.480 130 D N 2.261 122.688 120.400 0.045 0.000 3.441 130 D HA -0.101 4.539 4.640 -0.000 0.000 0.131 130 D C 0.712 177.042 176.300 0.050 0.000 0.934 130 D CA 0.084 54.109 54.000 0.042 0.000 1.949 130 D CB -0.484 40.342 40.800 0.043 0.000 0.635 130 D HN 0.412 nan 8.370 nan 0.000 0.885 131 S N 2.139 117.865 115.700 0.044 0.000 2.490 131 S HA -0.368 4.102 4.470 -0.000 0.000 0.291 131 S C 1.743 176.373 174.600 0.050 0.000 1.182 131 S CA 2.455 60.681 58.200 0.043 0.000 1.215 131 S CB 0.073 63.273 63.200 0.000 0.000 1.176 131 S HN 0.555 nan 8.310 nan 0.000 0.440 132 K N 0.416 120.826 120.400 0.016 0.000 2.062 132 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 132 K C 2.479 179.133 176.600 0.090 0.000 1.051 132 K CA 1.470 57.767 56.287 0.016 0.000 0.941 132 K CB -0.149 32.334 32.500 -0.029 0.000 0.719 132 K HN 0.413 nan 8.250 nan 0.000 0.440 133 K N 0.368 120.816 120.400 0.079 0.000 2.155 133 K HA -0.077 4.242 4.320 -0.000 0.000 0.203 133 K C 2.197 178.868 176.600 0.119 0.000 1.052 133 K CA 0.739 57.082 56.287 0.093 0.000 0.948 133 K CB 0.023 32.563 32.500 0.067 0.000 0.728 133 K HN 0.073 nan 8.250 nan 0.000 0.448 134 R N 0.736 121.309 120.500 0.121 0.000 2.070 134 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 134 R C 2.186 178.587 176.300 0.168 0.000 1.137 134 R CA 1.582 57.756 56.100 0.123 0.000 0.945 134 R CB -0.420 29.947 30.300 0.112 0.000 0.845 134 R HN 0.193 nan 8.270 nan 0.000 0.430 135 F N 1.439 121.425 119.950 0.061 0.000 2.161 135 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 135 F C 2.121 177.984 175.800 0.105 0.000 1.089 135 F CA 1.601 59.651 58.000 0.082 0.000 1.282 135 F CB -0.340 38.689 39.000 0.048 0.000 1.010 135 F HN 0.171 nan 8.300 nan 0.000 0.485 136 A N 0.640 123.663 122.820 0.340 0.000 1.892 136 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 136 A C 2.415 180.102 177.584 0.172 0.000 1.188 136 A CA 2.300 54.484 52.037 0.246 0.000 0.631 136 A CB -1.625 17.488 19.000 0.189 0.000 0.822 136 A HN 0.569 nan 8.150 nan 0.000 0.447 137 A N -0.208 122.683 122.820 0.119 0.000 1.832 137 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 137 A C 2.042 179.654 177.584 0.045 0.000 1.204 137 A CA 1.272 53.359 52.037 0.085 0.000 0.606 137 A CB -0.784 18.254 19.000 0.062 0.000 0.849 137 A HN 0.462 nan 8.150 nan 0.000 0.445 138 I N -1.996 118.579 120.570 0.008 0.000 2.231 138 I HA -0.367 3.802 4.170 -0.000 0.000 0.251 138 I C 2.367 178.452 176.117 -0.052 0.000 1.076 138 I CA 2.158 63.437 61.300 -0.034 0.000 1.347 138 I CB -0.324 37.643 38.000 -0.054 0.000 1.038 138 I HN 0.759 nan 8.210 nan 0.000 0.429 139 W N 1.728 122.846 121.300 -0.304 0.000 2.413 139 W HA -0.187 4.473 4.660 -0.000 0.000 0.315 139 W C 2.694 179.128 176.519 -0.142 0.000 1.186 139 W CA 2.112 59.282 57.345 -0.291 0.000 1.326 139 W CB -0.791 28.443 29.460 -0.377 0.000 1.153 139 W HN -0.059 nan 8.180 nan 0.000 0.489 140 T N 1.904 116.441 114.554 -0.027 0.000 2.760 140 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 140 T C 1.795 176.338 174.700 -0.261 0.000 1.047 140 T CA 1.977 63.940 62.100 -0.229 0.000 1.139 140 T CB -0.502 68.360 68.868 -0.011 0.000 0.855 140 T HN 0.198 nan 8.240 nan 0.000 0.471 141 L N -0.258 120.863 121.223 -0.169 0.000 2.102 141 L HA 0.039 4.379 4.340 -0.000 0.000 0.202 141 L C 2.672 179.442 176.870 -0.167 0.000 1.076 141 L CA 0.759 55.517 54.840 -0.136 0.000 0.761 141 L CB -0.462 41.553 42.059 -0.073 0.000 0.921 141 L HN 0.317 nan 8.230 nan 0.000 0.444 142 C N 0.329 119.519 119.300 -0.183 0.000 2.495 142 C HA -0.048 4.412 4.460 -0.000 0.000 0.275 142 C C 2.667 177.517 174.990 -0.233 0.000 1.392 142 C CA 0.136 59.058 59.018 -0.161 0.000 1.766 142 C CB -0.745 26.939 27.740 -0.094 0.000 1.933 142 C HN 0.521 nan 8.230 nan 0.000 0.519 143 K N 1.092 121.221 120.400 -0.451 0.000 2.032 143 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 143 K C 1.755 178.177 176.600 -0.297 0.000 1.048 143 K CA 2.102 58.089 56.287 -0.500 0.000 0.927 143 K CB -1.034 30.864 32.500 -1.003 0.000 0.712 143 K HN 0.271 nan 8.250 nan 0.000 0.441 144 T N 0.906 115.291 114.554 -0.282 0.000 2.684 144 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 144 T C 0.618 175.245 174.700 -0.122 0.000 1.036 144 T CA 1.238 63.230 62.100 -0.180 0.000 1.148 144 T CB -0.197 68.575 68.868 -0.160 0.000 0.863 144 T HN 0.155 nan 8.240 nan 0.000 0.436 145 K N 1.843 122.177 120.400 -0.109 0.000 2.453 145 K HA 0.069 4.389 4.320 -0.000 0.000 0.280 145 K C -0.056 176.508 176.600 -0.059 0.000 1.045 145 K CA 0.621 56.868 56.287 -0.067 0.000 1.059 145 K CB -0.053 32.416 32.500 -0.052 0.000 0.901 145 K HN 0.242 nan 8.250 nan 0.000 0.475 146 M N 3.953 123.528 119.600 -0.041 0.000 2.809 146 M HA 0.210 4.689 4.480 -0.000 0.000 0.388 146 M C -1.182 175.118 176.300 0.000 0.000 1.248 146 M CA -0.454 54.826 55.300 -0.034 0.000 0.885 146 M CB 0.906 33.476 32.600 -0.050 0.000 1.386 146 M HN 0.101 nan 8.290 nan 0.000 0.509 147 V N -0.138 119.783 119.914 0.012 0.000 2.752 147 V HA 0.132 4.252 4.120 -0.000 0.000 0.302 147 V C -0.689 175.427 176.094 0.037 0.000 1.133 147 V CA -1.156 61.164 62.300 0.033 0.000 0.919 147 V CB 2.351 34.188 31.823 0.025 0.000 1.026 147 V HN 0.406 nan 8.190 nan 0.000 0.429 148 C N 4.949 124.283 119.300 0.056 0.000 2.896 148 C HA 0.327 4.787 4.460 -0.000 0.000 0.499 148 C C 0.976 175.991 174.990 0.042 0.000 1.022 148 C CA -0.613 58.438 59.018 0.056 0.000 1.127 148 C CB -2.111 25.677 27.740 0.080 0.000 1.452 148 C HN 0.938 nan 8.230 nan 0.000 0.580 149 E N 1.578 121.797 120.200 0.031 0.000 2.641 149 E HA -0.069 4.281 4.350 -0.000 0.000 0.272 149 E C 1.312 177.925 176.600 0.023 0.000 0.990 149 E CA 0.860 57.273 56.400 0.022 0.000 0.971 149 E CB 0.470 30.179 29.700 0.016 0.000 0.967 149 E HN 0.647 nan 8.360 nan 0.000 0.464 150 T N 0.629 115.190 114.554 0.012 0.000 3.033 150 T HA 0.067 4.416 4.350 -0.000 0.000 0.248 150 T C -0.177 174.522 174.700 -0.002 0.000 1.040 150 T CA 0.285 62.391 62.100 0.009 0.000 1.133 150 T CB 0.304 69.175 68.868 0.004 0.000 0.895 150 T HN 0.352 nan 8.240 nan 0.000 0.465 151 D N 0.747 121.138 120.400 -0.016 0.000 2.990 151 D HA 0.490 5.129 4.640 -0.000 0.000 0.227 151 D C -1.349 174.916 176.300 -0.057 0.000 1.249 151 D CA -0.304 53.670 54.000 -0.044 0.000 0.891 151 D CB 3.059 43.834 40.800 -0.042 0.000 1.647 151 D HN -0.039 nan 8.370 nan 0.000 0.530 152 V N 2.482 122.331 119.914 -0.107 0.000 2.555 152 V HA 0.390 4.510 4.120 -0.000 0.000 0.302 152 V C -2.201 173.813 176.094 -0.133 0.000 1.038 152 V CA -1.822 60.416 62.300 -0.103 0.000 0.887 152 V CB 2.129 33.901 31.823 -0.085 0.000 0.991 152 V HN 0.360 nan 8.190 nan 0.000 0.434 153 P HA 0.043 nan 4.420 nan 0.000 0.259 153 P C 0.329 177.583 177.300 -0.076 0.000 1.211 153 P CA 0.264 63.324 63.100 -0.067 0.000 0.810 153 P CB 0.301 31.979 31.700 -0.038 0.000 0.815 154 S N 2.740 118.381 115.700 -0.098 0.000 2.564 154 S HA -0.083 4.386 4.470 -0.000 0.000 0.263 154 S C 0.746 175.334 174.600 -0.019 0.000 1.378 154 S CA -0.179 57.975 58.200 -0.077 0.000 0.996 154 S CB 0.025 63.187 63.200 -0.063 0.000 0.881 154 S HN 0.444 nan 8.310 nan 0.000 0.555 155 E N 1.161 121.370 120.200 0.015 0.000 2.441 155 E HA 0.095 4.445 4.350 -0.000 0.000 0.210 155 E C -0.182 176.425 176.600 0.011 0.000 1.306 155 E CA 0.067 56.480 56.400 0.022 0.000 1.307 155 E CB -0.177 29.547 29.700 0.040 0.000 1.297 155 E HN 0.479 nan 8.360 nan 0.000 0.440 156 D N -0.292 120.109 120.400 0.001 0.000 3.576 156 D HA -0.026 4.614 4.640 -0.000 0.000 0.159 156 D C -0.253 176.044 176.300 -0.005 0.000 1.244 156 D CA -0.420 53.579 54.000 -0.001 0.000 1.449 156 D CB -0.007 40.791 40.800 -0.003 0.000 1.315 156 D HN 0.048 nan 8.370 nan 0.000 0.294 157 D N 2.350 122.745 120.400 -0.008 0.000 2.312 157 D HA 0.075 4.714 4.640 -0.000 0.000 0.252 157 D C -1.738 174.553 176.300 -0.015 0.000 1.150 157 D CA -1.400 52.594 54.000 -0.010 0.000 0.870 157 D CB 2.008 42.802 40.800 -0.009 0.000 1.153 157 D HN -0.079 nan 8.370 nan 0.000 0.457 158 P HA -0.024 nan 4.420 nan 0.000 0.242 158 P C 0.947 178.237 177.300 -0.017 0.000 1.197 158 P CA 0.311 63.401 63.100 -0.016 0.000 0.765 158 P CB 0.420 32.114 31.700 -0.011 0.000 0.936 159 T N -0.609 113.936 114.554 -0.015 0.000 2.866 159 T HA -0.006 4.344 4.350 -0.000 0.000 0.250 159 T C 0.707 175.396 174.700 -0.018 0.000 1.033 159 T CA 0.837 62.928 62.100 -0.015 0.000 1.145 159 T CB -0.278 68.584 68.868 -0.011 0.000 0.866 159 T HN 0.200 nan 8.240 nan 0.000 0.434 160 Q N 1.376 121.164 119.800 -0.020 0.000 2.288 160 Q HA 0.470 4.810 4.340 -0.000 0.000 0.258 160 Q C -0.787 175.191 176.000 -0.036 0.000 0.957 160 Q CA 0.136 55.924 55.803 -0.024 0.000 0.919 160 Q CB 0.602 29.327 28.738 -0.022 0.000 1.185 160 Q HN 0.402 nan 8.270 nan 0.000 0.408 161 L N 2.397 123.596 121.223 -0.040 0.000 2.307 161 L HA 0.500 4.840 4.340 -0.000 0.000 0.282 161 L C -0.245 176.581 176.870 -0.072 0.000 1.051 161 L CA -1.078 53.728 54.840 -0.057 0.000 0.804 161 L CB 1.043 43.074 42.059 -0.047 0.000 1.197 161 L HN 0.344 nan 8.230 nan 0.000 0.431 162 V N 1.712 121.555 119.914 -0.117 0.000 2.743 162 V HA 0.205 4.325 4.120 -0.000 0.000 0.301 162 V C 0.445 176.456 176.094 -0.138 0.000 1.057 162 V CA -0.252 61.964 62.300 -0.141 0.000 1.006 162 V CB 1.879 33.566 31.823 -0.226 0.000 1.024 162 V HN 0.836 nan 8.190 nan 0.000 0.473 163 S N 3.346 118.996 115.700 -0.083 0.000 2.525 163 S HA 0.658 5.128 4.470 -0.000 0.000 0.278 163 S C -0.054 174.550 174.600 0.008 0.000 1.234 163 S CA -0.639 57.538 58.200 -0.037 0.000 1.058 163 S CB 0.412 63.605 63.200 -0.012 0.000 0.983 163 S HN 0.839 nan 8.310 nan 0.000 0.495 164 R N 2.829 123.351 120.500 0.036 0.000 3.482 164 R HA 0.744 5.084 4.340 -0.000 0.000 0.231 164 R C 0.572 176.906 176.300 0.057 0.000 1.451 164 R CA -0.968 55.194 56.100 0.104 0.000 0.961 164 R CB -0.392 30.010 30.300 0.169 0.000 1.579 164 R HN 0.586 nan 8.270 nan 0.000 0.491 165 G N -0.969 107.864 108.800 0.055 0.000 2.537 165 G HA2 0.511 4.471 3.960 -0.000 0.000 0.273 165 G HA3 0.511 4.471 3.960 -0.000 0.000 0.273 165 G C -0.662 174.258 174.900 0.033 0.000 1.189 165 G CA -0.270 44.851 45.100 0.035 0.000 0.881 165 G HN 0.666 nan 8.290 nan 0.000 0.535 166 G N -2.218 106.598 108.800 0.026 0.000 2.733 166 G HA2 0.563 4.523 3.960 -0.000 0.000 0.297 166 G HA3 0.563 4.523 3.960 -0.000 0.000 0.297 166 G C -0.543 174.373 174.900 0.027 0.000 1.422 166 G CA 0.115 45.230 45.100 0.025 0.000 0.942 166 G HN 1.724 nan 8.290 nan 0.000 0.510 167 C N 0.013 119.332 119.300 0.031 0.000 2.206 167 C HA 0.432 4.892 4.460 -0.000 0.000 0.307 167 C C 1.780 176.792 174.990 0.038 0.000 0.824 167 C CA -0.521 58.517 59.018 0.032 0.000 0.602 167 C CB -0.459 27.311 27.740 0.050 0.000 1.478 167 C HN 1.912 nan 8.230 nan 0.000 0.775 168 G N 2.216 111.033 108.800 0.028 0.000 3.090 168 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.252 168 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.252 168 G C 0.573 175.503 174.900 0.050 0.000 1.064 168 G CA 1.774 46.893 45.100 0.031 0.000 0.723 168 G HN 0.987 nan 8.290 nan 0.000 0.673 169 N N 1.862 120.586 118.700 0.040 0.000 1.982 169 N HA -0.109 4.631 4.740 -0.000 0.000 0.354 169 N C 0.650 176.247 175.510 0.145 0.000 1.170 169 N CA 1.521 54.607 53.050 0.060 0.000 0.800 169 N CB -0.415 38.091 38.487 0.032 0.000 1.027 169 N HN 0.521 nan 8.380 nan 0.000 0.549 170 T N 2.171 116.821 114.554 0.160 0.000 2.908 170 T HA -0.021 4.328 4.350 -0.000 0.000 0.325 170 T C 0.833 175.653 174.700 0.201 0.000 1.092 170 T CA -0.020 62.176 62.100 0.160 0.000 1.125 170 T CB 0.735 69.705 68.868 0.169 0.000 1.016 170 T HN 0.316 nan 8.240 nan 0.000 0.550 171 Q N 2.763 122.600 119.800 0.060 0.000 2.314 171 Q HA 0.285 4.625 4.340 -0.000 0.000 0.259 171 Q C -2.329 173.500 176.000 -0.285 0.000 0.951 171 Q CA -2.234 53.543 55.803 -0.043 0.000 0.909 171 Q CB 1.094 29.820 28.738 -0.020 0.000 1.236 171 Q HN 0.451 nan 8.270 nan 0.000 0.444 172 P HA -0.072 nan 4.420 nan 0.000 0.262 172 P C -0.501 176.483 177.300 -0.526 0.000 1.199 172 P CA 0.063 62.520 63.100 -1.072 0.000 0.763 172 P CB 0.563 30.859 31.700 -2.340 0.000 0.790 173 T N 5.591 119.947 114.554 -0.330 0.000 2.784 173 T HA 0.192 4.542 4.350 -0.000 0.000 0.291 173 T C 0.856 175.451 174.700 -0.175 0.000 0.942 173 T CA 0.237 62.227 62.100 -0.183 0.000 1.161 173 T CB -0.398 68.406 68.868 -0.107 0.000 0.885 173 T HN 0.232 nan 8.240 nan 0.000 0.534 174 I N 4.538 125.038 120.570 -0.117 0.000 2.677 174 I HA 0.599 4.769 4.170 -0.000 0.000 0.305 174 I C 0.688 176.809 176.117 0.006 0.000 0.988 174 I CA -0.836 60.426 61.300 -0.063 0.000 1.260 174 I CB 0.952 38.940 38.000 -0.021 0.000 1.410 174 I HN 0.617 nan 8.210 nan 0.000 0.523 175 R N 2.597 123.115 120.500 0.031 0.000 2.752 175 R HA 0.565 4.905 4.340 -0.000 0.000 0.271 175 R C -1.443 174.902 176.300 0.075 0.000 1.026 175 R CA -1.210 54.923 56.100 0.056 0.000 0.901 175 R CB 1.553 31.880 30.300 0.045 0.000 1.243 175 R HN 0.377 nan 8.270 nan 0.000 0.463 176 K N 0.867 121.316 120.400 0.081 0.000 2.159 176 K HA 0.181 4.501 4.320 -0.000 0.000 0.266 176 K C -1.323 175.328 176.600 0.085 0.000 0.975 176 K CA -0.523 55.820 56.287 0.093 0.000 0.865 176 K CB 1.235 33.790 32.500 0.091 0.000 1.087 176 K HN 0.633 nan 8.250 nan 0.000 0.446 177 D N 3.463 123.920 120.400 0.094 0.000 2.476 177 D HA 0.266 4.906 4.640 -0.000 0.000 0.251 177 D C 0.571 176.924 176.300 0.089 0.000 1.291 177 D CA 0.578 54.626 54.000 0.080 0.000 0.939 177 D CB 1.150 41.992 40.800 0.070 0.000 1.221 177 D HN 0.825 nan 8.370 nan 0.000 0.567 178 G N 3.695 112.547 108.800 0.086 0.000 2.665 178 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.326 178 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.326 178 G C 0.745 175.719 174.900 0.123 0.000 1.231 178 G CA 0.705 45.863 45.100 0.097 0.000 0.992 178 G HN 0.568 nan 8.290 nan 0.000 0.549 179 L N 0.783 122.085 121.223 0.131 0.000 2.872 179 L HA 0.395 4.735 4.340 -0.000 0.000 0.245 179 L C 0.587 177.569 176.870 0.187 0.000 1.211 179 L CA 0.072 55.017 54.840 0.176 0.000 1.013 179 L CB 0.007 42.155 42.059 0.149 0.000 1.326 179 L HN 0.220 nan 8.230 nan 0.000 0.525 180 K N 1.123 121.619 120.400 0.161 0.000 2.318 180 K HA 0.640 4.960 4.320 -0.000 0.000 0.249 180 K C -0.988 175.731 176.600 0.199 0.000 0.942 180 K CA -0.636 55.740 56.287 0.149 0.000 0.808 180 K CB 3.013 35.551 32.500 0.064 0.000 1.189 180 K HN -0.007 nan 8.250 nan 0.000 0.428 181 L N 2.799 124.169 121.223 0.245 0.000 2.265 181 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 181 L C -0.793 176.158 176.870 0.135 0.000 1.033 181 L CA -1.003 53.954 54.840 0.195 0.000 0.814 181 L CB 1.445 43.644 42.059 0.233 0.000 1.203 181 L HN 0.257 nan 8.230 nan 0.000 0.423 182 V N 2.349 122.323 119.914 0.100 0.000 2.555 182 V HA 0.748 4.867 4.120 -0.000 0.000 0.302 182 V C 0.413 176.529 176.094 0.037 0.000 1.038 182 V CA -0.457 61.898 62.300 0.091 0.000 0.887 182 V CB 1.866 33.742 31.823 0.089 0.000 0.991 182 V HN 0.834 nan 8.190 nan 0.000 0.434 183 G N 1.944 110.753 108.800 0.014 0.000 2.481 183 G HA2 0.618 4.577 3.960 -0.000 0.000 0.315 183 G HA3 0.618 4.577 3.960 -0.000 0.000 0.315 183 G C -0.608 174.226 174.900 -0.110 0.000 1.231 183 G CA -0.455 44.518 45.100 -0.211 0.000 0.968 183 G HN 0.862 nan 8.290 nan 0.000 0.482 184 S N 1.287 116.889 115.700 -0.163 0.000 2.667 184 S HA 0.419 4.888 4.470 -0.000 0.000 0.304 184 S C -0.101 174.521 174.600 0.036 0.000 1.135 184 S CA -0.889 57.354 58.200 0.071 0.000 1.125 184 S CB 0.460 63.697 63.200 0.062 0.000 0.996 184 S HN 0.596 nan 8.310 nan 0.000 0.474 185 W N 2.479 123.804 121.300 0.041 0.000 1.716 185 W HA 0.434 5.094 4.660 -0.000 0.000 0.389 185 W C 0.722 177.256 176.519 0.026 0.000 1.745 185 W CA -0.623 56.745 57.345 0.038 0.000 1.911 185 W CB 0.417 29.903 29.460 0.042 0.000 1.416 185 W HN 0.710 nan 8.180 nan 0.000 0.750 186 K N 1.500 122.069 120.400 0.282 0.000 2.577 186 K HA 0.094 4.414 4.320 -0.000 0.000 0.267 186 K C -1.203 175.466 176.600 0.115 0.000 0.979 186 K CA -0.543 55.834 56.287 0.151 0.000 0.942 186 K CB 0.893 33.450 32.500 0.094 0.000 1.343 186 K HN 0.346 nan 8.250 nan 0.000 0.436 187 K N 2.342 122.792 120.400 0.084 0.000 2.579 187 K HA 0.645 4.965 4.320 -0.000 0.000 0.284 187 K C -1.745 174.877 176.600 0.036 0.000 0.990 187 K CA -0.505 55.815 56.287 0.056 0.000 0.880 187 K CB 1.972 34.503 32.500 0.052 0.000 1.488 187 K HN 0.725 nan 8.250 nan 0.000 0.425 197 P HA 0.270 nan 4.420 nan 0.000 0.282 197 P C -1.011 176.355 177.300 0.111 0.000 1.287 197 P CA -0.363 62.794 63.100 0.096 0.000 0.792 197 P CB 0.820 32.574 31.700 0.091 0.000 1.163 198 E N 0.692 120.996 120.200 0.173 0.000 2.795 198 E HA 0.274 4.624 4.350 -0.000 0.000 0.226 198 E C -0.626 176.128 176.600 0.256 0.000 1.088 198 E CA -0.391 56.107 56.400 0.162 0.000 0.812 198 E CB -0.026 29.743 29.700 0.116 0.000 1.328 198 E HN 0.327 nan 8.360 nan 0.000 0.410 199 L N 4.046 125.384 121.223 0.191 0.000 2.410 199 L HA 0.420 4.760 4.340 -0.000 0.000 0.273 199 L C 0.347 177.335 176.870 0.197 0.000 1.144 199 L CA -0.047 54.920 54.840 0.213 0.000 0.863 199 L CB 0.040 42.180 42.059 0.134 0.000 1.140 199 L HN 0.422 nan 8.230 nan 0.000 0.463 200 R N 1.692 122.366 120.500 0.291 0.000 2.594 200 R HA 0.588 4.928 4.340 -0.000 0.000 0.265 200 R C -1.882 174.569 176.300 0.251 0.000 1.070 200 R CA -0.882 55.346 56.100 0.213 0.000 0.909 200 R CB 1.473 31.843 30.300 0.116 0.000 1.243 200 R HN 0.229 nan 8.270 nan 0.000 0.455 201 V N 4.689 124.692 119.914 0.148 0.000 2.508 201 V HA 0.195 4.314 4.120 -0.000 0.000 0.281 201 V C 0.495 176.671 176.094 0.136 0.000 1.041 201 V CA -0.461 61.914 62.300 0.125 0.000 1.016 201 V CB 0.868 32.727 31.823 0.060 0.000 0.984 201 V HN 0.543 nan 8.190 nan 0.000 0.478 202 L N 5.139 126.459 121.223 0.160 0.000 2.410 202 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 202 L C 0.916 177.831 176.870 0.075 0.000 1.152 202 L CA 0.171 55.102 54.840 0.151 0.000 0.855 202 L CB 0.576 42.725 42.059 0.150 0.000 1.129 202 L HN 0.789 nan 8.230 nan 0.000 0.463 203 S N 1.503 117.225 115.700 0.036 0.000 2.645 203 S HA 0.213 4.683 4.470 -0.000 0.000 0.266 203 S C 0.982 175.562 174.600 -0.033 0.000 1.258 203 S CA -0.302 57.884 58.200 -0.024 0.000 0.990 203 S CB 1.597 64.781 63.200 -0.027 0.000 0.967 203 S HN 0.627 nan 8.310 nan 0.000 0.556 204 T N 1.807 116.297 114.554 -0.106 0.000 2.639 204 T HA -0.061 4.288 4.350 -0.000 0.000 0.261 204 T C 1.602 176.298 174.700 -0.008 0.000 1.053 204 T CA 1.866 63.923 62.100 -0.071 0.000 1.158 204 T CB -0.800 67.975 68.868 -0.155 0.000 0.863 204 T HN 0.808 nan 8.240 nan 0.000 0.413 205 E N 0.962 121.149 120.200 -0.022 0.000 2.136 205 E HA -0.273 4.077 4.350 -0.000 0.000 0.208 205 E C 2.182 178.767 176.600 -0.025 0.000 1.035 205 E CA 1.734 58.127 56.400 -0.012 0.000 0.838 205 E CB -0.178 29.516 29.700 -0.009 0.000 0.748 205 E HN 0.602 nan 8.360 nan 0.000 0.459 206 E N 0.592 120.777 120.200 -0.025 0.000 2.023 206 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 206 E C 2.120 178.666 176.600 -0.090 0.000 1.003 206 E CA 1.476 57.855 56.400 -0.034 0.000 0.809 206 E CB -0.103 29.592 29.700 -0.007 0.000 0.755 206 E HN 0.260 nan 8.360 nan 0.000 0.449 207 I N 1.337 121.838 120.570 -0.115 0.000 2.226 207 I HA -0.252 3.917 4.170 -0.000 0.000 0.245 207 I C 2.732 178.571 176.117 -0.465 0.000 1.100 207 I CA 0.650 61.759 61.300 -0.319 0.000 1.374 207 I CB -0.371 37.464 38.000 -0.275 0.000 1.057 207 I HN 0.318 nan 8.210 nan 0.000 0.413 208 L N 1.125 122.227 121.223 -0.201 0.000 2.013 208 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 208 L C 2.531 179.348 176.870 -0.088 0.000 1.073 208 L CA 1.885 56.670 54.840 -0.091 0.000 0.753 208 L CB -0.511 41.559 42.059 0.019 0.000 0.890 208 L HN 0.381 nan 8.230 nan 0.000 0.432 209 N N 0.740 119.381 118.700 -0.099 0.000 2.084 209 N HA -0.221 4.518 4.740 -0.000 0.000 0.190 209 N C 1.859 177.312 175.510 -0.095 0.000 1.030 209 N CA 2.159 55.142 53.050 -0.112 0.000 0.849 209 N CB -0.314 38.126 38.487 -0.079 0.000 1.012 209 N HN 0.476 nan 8.380 nan 0.000 0.423 210 I N 0.294 120.824 120.570 -0.067 0.000 2.113 210 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 210 I C 2.022 178.246 176.117 0.178 0.000 1.064 210 I CA 1.142 62.467 61.300 0.041 0.000 1.320 210 I CB -0.640 37.337 38.000 -0.039 0.000 1.028 210 I HN -0.003 nan 8.210 nan 0.000 0.406 211 F N 1.452 121.373 119.950 -0.048 0.000 2.065 211 F HA -0.226 4.300 4.527 -0.000 0.000 0.298 211 F C 2.520 178.250 175.800 -0.117 0.000 1.112 211 F CA 1.369 59.304 58.000 -0.108 0.000 1.212 211 F CB -1.274 37.627 39.000 -0.164 0.000 0.975 211 F HN 0.018 nan 8.300 nan 0.000 0.476 212 K N -1.023 119.409 120.400 0.053 0.000 2.366 212 K HA -0.210 4.110 4.320 -0.000 0.000 0.202 212 K C 1.412 177.996 176.600 -0.026 0.000 1.045 212 K CA 1.191 57.434 56.287 -0.073 0.000 0.934 212 K CB -0.168 32.230 32.500 -0.170 0.000 0.746 212 K HN 0.302 nan 8.250 nan 0.000 0.470 213 H N -0.781 118.338 119.070 0.082 0.000 2.586 213 H HA 0.197 4.753 4.556 -0.000 0.000 0.273 213 H C 0.087 175.469 175.328 0.089 0.000 0.997 213 H CA -0.149 55.943 56.048 0.074 0.000 1.177 213 H CB 0.218 30.017 29.762 0.062 0.000 1.471 213 H HN 0.036 nan 8.280 nan 0.000 0.538 214 I N 2.800 123.510 120.570 0.233 0.000 2.598 214 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 214 I C 0.783 177.022 176.117 0.204 0.000 1.140 214 I CA -0.099 61.317 61.300 0.194 0.000 1.420 214 I CB 0.528 38.607 38.000 0.132 0.000 1.387 214 I HN 0.131 nan 8.210 nan 0.000 0.553 215 S N 5.276 121.009 115.700 0.056 0.000 2.552 215 S HA 0.047 4.516 4.470 -0.000 0.000 0.289 215 S C 1.240 175.577 174.600 -0.438 0.000 1.304 215 S CA -0.943 57.194 58.200 -0.105 0.000 1.063 215 S CB 1.263 64.408 63.200 -0.092 0.000 0.848 215 S HN 0.431 nan 8.310 nan 0.000 0.499 216 V N 3.424 122.927 119.914 -0.685 0.000 2.380 216 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 216 V C 2.638 178.217 176.094 -0.858 0.000 1.063 216 V CA 2.245 63.763 62.300 -1.302 0.000 1.055 216 V CB -0.962 30.459 31.823 -0.670 0.000 0.657 216 V HN 0.937 nan 8.190 nan 0.000 0.455 217 K N -0.714 119.437 120.400 -0.416 0.000 2.288 217 K HA -0.128 4.192 4.320 -0.000 0.000 0.201 217 K C 1.649 178.162 176.600 -0.145 0.000 1.048 217 K CA 1.037 57.189 56.287 -0.225 0.000 0.956 217 K CB -0.100 32.315 32.500 -0.142 0.000 0.746 217 K HN 0.429 nan 8.250 nan 0.000 0.461 218 D N -0.103 120.208 120.400 -0.149 0.000 2.305 218 D HA 0.001 4.641 4.640 -0.000 0.000 0.206 218 D C 1.403 177.769 176.300 0.109 0.000 0.974 218 D CA 0.457 54.449 54.000 -0.013 0.000 0.871 218 D CB 0.087 40.892 40.800 0.007 0.000 0.947 218 D HN 0.106 nan 8.370 nan 0.000 0.516 219 F N 1.136 121.042 119.950 -0.074 0.000 1.982 219 F HA -0.253 4.274 4.527 -0.000 0.000 0.296 219 F C 2.584 178.431 175.800 0.078 0.000 1.199 219 F CA 0.994 58.932 58.000 -0.102 0.000 1.174 219 F CB -1.073 37.885 39.000 -0.069 0.000 0.963 219 F HN -0.099 nan 8.300 nan 0.000 0.495 220 T N 0.614 115.383 114.554 0.358 0.000 2.634 220 T HA -0.360 3.990 4.350 -0.000 0.000 0.256 220 T C 1.867 176.676 174.700 0.182 0.000 1.131 220 T CA 2.484 64.716 62.100 0.220 0.000 1.149 220 T CB -1.089 67.831 68.868 0.085 0.000 0.849 220 T HN 0.382 nan 8.240 nan 0.000 0.457 221 S N 1.665 117.441 115.700 0.127 0.000 2.380 221 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 221 S C 1.155 175.865 174.600 0.183 0.000 1.043 221 S CA 0.904 59.171 58.200 0.111 0.000 1.038 221 S CB -0.623 62.616 63.200 0.065 0.000 0.872 221 S HN 0.465 nan 8.310 nan 0.000 0.456 222 L N 2.660 124.041 121.223 0.263 0.000 2.389 222 L HA 0.347 4.686 4.340 -0.000 0.000 0.265 222 L C 1.205 178.414 176.870 0.564 0.000 1.167 222 L CA -0.496 54.618 54.840 0.457 0.000 1.045 222 L CB -0.421 41.897 42.059 0.432 0.000 1.351 222 L HN 0.422 nan 8.230 nan 0.000 0.419 223 G N 1.735 110.749 108.800 0.357 0.000 2.374 223 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.296 223 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.296 223 G C 0.068 174.949 174.900 -0.033 0.000 0.801 223 G CA 0.681 45.856 45.100 0.125 0.000 0.926 223 G HN 0.357 nan 8.290 nan 0.000 0.488 224 F N -0.857 119.117 119.950 0.040 0.000 2.747 224 F HA 0.633 5.160 4.527 -0.000 0.000 0.376 224 F C 0.631 176.482 175.800 0.085 0.000 1.256 224 F CA -1.264 56.738 58.000 0.003 0.000 1.121 224 F CB 1.419 40.373 39.000 -0.077 0.000 1.654 224 F HN 0.086 nan 8.300 nan 0.000 0.491 225 N N -0.257 118.653 118.700 0.350 0.000 2.616 225 N HA 0.085 4.824 4.740 -0.000 0.000 0.281 225 N C 0.149 175.833 175.510 0.289 0.000 1.145 225 N CA -0.138 53.079 53.050 0.278 0.000 0.919 225 N CB 1.020 39.647 38.487 0.233 0.000 1.509 225 N HN 0.643 nan 8.380 nan 0.000 0.537 226 E N 1.988 122.374 120.200 0.311 0.000 2.169 226 E HA -0.229 4.120 4.350 -0.000 0.000 0.202 226 E C 0.530 177.212 176.600 0.137 0.000 1.016 226 E CA 2.004 58.567 56.400 0.272 0.000 0.817 226 E CB 0.260 30.015 29.700 0.091 0.000 0.736 226 E HN 0.511 nan 8.360 nan 0.000 0.462 227 V N -0.985 118.943 119.914 0.022 0.000 2.672 227 V HA -0.019 4.101 4.120 -0.000 0.000 0.242 227 V C 1.864 178.059 176.094 0.168 0.000 1.059 227 V CA 0.985 63.239 62.300 -0.077 0.000 1.081 227 V CB -0.442 31.025 31.823 -0.594 0.000 0.752 227 V HN 0.225 nan 8.190 nan 0.000 0.472 228 F N 1.236 121.351 119.950 0.276 0.000 2.446 228 F HA 0.182 4.709 4.527 -0.000 0.000 0.292 228 F C 0.970 176.986 175.800 0.359 0.000 1.096 228 F CA 0.585 58.725 58.000 0.233 0.000 1.438 228 F CB 0.496 39.559 39.000 0.105 0.000 1.107 228 F HN 0.296 nan 8.300 nan 0.000 0.546 229 S N 0.583 116.648 115.700 0.608 0.000 2.417 229 S HA 0.329 4.798 4.470 -0.000 0.000 0.189 229 S C -0.922 173.891 174.600 0.356 0.000 1.005 229 S CA -1.085 57.460 58.200 0.575 0.000 1.116 229 S CB 0.109 63.448 63.200 0.231 0.000 1.343 229 S HN 0.243 nan 8.310 nan 0.000 0.406 230 R N 1.608 122.046 120.500 -0.103 0.000 2.410 230 R HA 0.495 4.834 4.340 -0.000 0.000 0.288 230 R C -2.426 173.490 176.300 -0.640 0.000 1.051 230 R CA -1.921 53.697 56.100 -0.803 0.000 1.021 230 R CB -0.250 29.176 30.300 -1.457 0.000 1.032 230 R HN 0.132 nan 8.270 nan 0.000 0.481 231 P HA -0.346 nan 4.420 nan 0.000 0.219 231 P C 0.957 177.977 177.300 -0.467 0.000 1.158 231 P CA 1.937 64.391 63.100 -1.076 0.000 0.895 231 P CB -0.002 30.596 31.700 -1.837 0.000 0.792 232 E N -1.582 118.367 120.200 -0.418 0.000 2.273 232 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 232 E C 1.234 177.895 176.600 0.102 0.000 1.002 232 E CA 1.076 57.450 56.400 -0.043 0.000 0.828 232 E CB -1.070 28.516 29.700 -0.191 0.000 0.747 232 E HN 0.335 nan 8.360 nan 0.000 0.491 233 W N 0.655 121.930 121.300 -0.042 0.000 2.937 233 W HA 0.208 4.867 4.660 -0.000 0.000 0.245 233 W C 1.608 178.143 176.519 0.027 0.000 1.306 233 W CA 0.148 57.499 57.345 0.011 0.000 1.470 233 W CB -0.309 29.149 29.460 -0.004 0.000 1.132 233 W HN 0.148 nan 8.180 nan 0.000 0.675 234 M N -0.171 119.546 119.600 0.194 0.000 2.682 234 M HA 0.072 4.551 4.480 -0.000 0.000 0.235 234 M C 0.160 176.649 176.300 0.315 0.000 1.114 234 M CA 1.052 56.438 55.300 0.143 0.000 1.053 234 M CB -0.183 32.393 32.600 -0.040 0.000 1.599 234 M HN -0.308 nan 8.290 nan 0.000 0.520 235 I N 1.979 122.742 120.570 0.322 0.000 2.405 235 I HA 0.257 4.427 4.170 -0.000 0.000 0.280 235 I C -0.355 175.941 176.117 0.299 0.000 1.027 235 I CA -0.668 60.838 61.300 0.343 0.000 1.161 235 I CB 1.084 39.272 38.000 0.314 0.000 1.300 235 I HN 0.086 nan 8.210 nan 0.000 0.463 236 L N 5.875 127.277 121.223 0.299 0.000 2.540 236 L HA 0.095 4.434 4.340 -0.000 0.000 0.276 236 L C 0.860 177.839 176.870 0.182 0.000 1.212 236 L CA 0.446 55.430 54.840 0.240 0.000 0.893 236 L CB 0.069 42.272 42.059 0.239 0.000 1.138 236 L HN 0.646 nan 8.230 nan 0.000 0.491 237 T N 0.356 115.004 114.554 0.156 0.000 3.232 237 T HA 0.028 4.378 4.350 -0.000 0.000 0.259 237 T C 0.073 174.836 174.700 0.105 0.000 0.987 237 T CA 0.061 62.236 62.100 0.125 0.000 1.096 237 T CB 0.475 69.421 68.868 0.131 0.000 1.131 237 T HN 0.689 nan 8.240 nan 0.000 0.445 238 C N 3.135 122.497 119.300 0.103 0.000 2.322 238 C HA 0.817 5.277 4.460 -0.000 0.000 0.324 238 C C -0.766 174.276 174.990 0.087 0.000 1.284 238 C CA -1.161 57.919 59.018 0.103 0.000 1.606 238 C CB -0.734 27.067 27.740 0.102 0.000 2.251 238 C HN 0.455 nan 8.230 nan 0.000 0.502 239 L N 9.610 130.885 121.223 0.087 0.000 2.272 239 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 239 L C -1.966 174.968 176.870 0.106 0.000 1.032 239 L CA -1.801 53.092 54.840 0.089 0.000 0.810 239 L CB 1.437 43.528 42.059 0.054 0.000 1.205 239 L HN 0.561 nan 8.230 nan 0.000 0.422 240 P HA 0.062 nan 4.420 nan 0.000 0.276 240 P C -0.931 176.580 177.300 0.352 0.000 1.243 240 P CA -0.113 63.118 63.100 0.218 0.000 0.768 240 P CB 1.074 32.821 31.700 0.079 0.000 0.856 241 V N 6.770 126.873 119.914 0.315 0.000 2.334 241 V HA 0.212 4.332 4.120 -0.000 0.000 0.267 241 V C -1.628 174.395 176.094 -0.118 0.000 1.040 241 V CA -1.974 60.402 62.300 0.127 0.000 0.866 241 V CB 0.858 32.703 31.823 0.038 0.000 1.019 241 V HN 0.555 nan 8.190 nan 0.000 0.468 242 P HA 0.210 nan 4.420 nan 0.000 0.271 242 P C -2.595 174.426 177.300 -0.465 0.000 1.216 242 P CA -1.324 61.350 63.100 -0.711 0.000 0.776 242 P CB 0.597 32.170 31.700 -0.212 0.000 0.881 243 P HA 0.171 nan 4.420 nan 0.000 0.274 243 P C -2.045 175.146 177.300 -0.182 0.000 1.237 243 P CA -1.742 61.190 63.100 -0.280 0.000 0.793 243 P CB -0.331 31.208 31.700 -0.267 0.000 0.977 244 P HA -0.220 nan 4.420 nan 0.000 0.224 244 P C -1.217 176.024 177.300 -0.098 0.000 1.153 244 P CA 2.994 66.037 63.100 -0.095 0.000 0.947 244 P CB -1.974 29.681 31.700 -0.076 0.000 0.790 245 P HA -0.156 nan 4.420 nan 0.000 0.218 245 P C 1.325 178.576 177.300 -0.082 0.000 1.147 245 P CA 1.320 64.366 63.100 -0.090 0.000 0.827 245 P CB -0.463 31.179 31.700 -0.097 0.000 0.778 246 V N -0.665 119.192 119.914 -0.095 0.000 2.649 246 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 246 V C 1.447 177.500 176.094 -0.069 0.000 1.054 246 V CA 1.436 63.691 62.300 -0.075 0.000 1.073 246 V CB -0.865 30.907 31.823 -0.084 0.000 0.699 246 V HN 0.236 nan 8.190 nan 0.000 0.463 247 R N 1.012 121.466 120.500 -0.077 0.000 2.782 247 R HA 0.341 4.681 4.340 -0.000 0.000 0.293 247 R C -2.974 173.272 176.300 -0.091 0.000 1.333 247 R CA -1.406 54.647 56.100 -0.079 0.000 1.479 247 R CB 0.025 30.288 30.300 -0.061 0.000 1.306 247 R HN 0.241 nan 8.270 nan 0.000 0.654 248 P HA -0.054 nan 4.420 nan 0.000 0.268 248 P C 0.049 177.282 177.300 -0.112 0.000 1.208 248 P CA 0.321 63.364 63.100 -0.094 0.000 0.777 248 P CB 1.372 33.019 31.700 -0.088 0.000 0.875 249 S N 2.492 118.124 115.700 -0.115 0.000 2.552 249 S HA 0.576 5.046 4.470 -0.000 0.000 0.271 249 S C 0.311 174.802 174.600 -0.181 0.000 1.168 249 S CA -0.688 57.431 58.200 -0.136 0.000 1.026 249 S CB 0.302 63.436 63.200 -0.111 0.000 1.120 249 S HN 0.446 nan 8.310 nan 0.000 0.514 250 I N 1.409 121.821 120.570 -0.263 0.000 2.560 250 I HA 0.204 4.373 4.170 -0.000 0.000 0.283 250 I C -0.841 174.851 176.117 -0.708 0.000 1.115 250 I CA -0.423 60.602 61.300 -0.458 0.000 1.066 250 I CB 2.105 39.803 38.000 -0.504 0.000 1.221 250 I HN 0.713 nan 8.210 nan 0.000 0.450 251 S N 5.034 120.429 115.700 -0.507 0.000 2.464 251 S HA 0.468 4.938 4.470 -0.000 0.000 0.313 251 S C -0.374 174.015 174.600 -0.353 0.000 1.078 251 S CA -0.587 57.382 58.200 -0.386 0.000 1.096 251 S CB -0.457 62.638 63.200 -0.174 0.000 1.032 251 S HN 0.380 nan 8.310 nan 0.000 0.498 252 F N 3.876 123.824 119.950 -0.003 0.000 2.679 252 F HA 0.347 4.874 4.527 -0.000 0.000 0.351 252 F C 1.258 177.056 175.800 -0.002 0.000 1.279 252 F CA -0.538 57.460 58.000 -0.003 0.000 1.227 252 F CB -1.150 37.850 39.000 -0.000 0.000 1.623 252 F HN 0.648 nan 8.300 nan 0.000 0.666 253 N N 0.306 119.065 118.700 0.097 0.000 1.343 253 N HA -0.228 4.512 4.740 -0.000 0.000 0.176 253 N C 1.077 176.611 175.510 0.041 0.000 0.884 253 N CA 0.877 53.965 53.050 0.064 0.000 1.080 253 N CB -0.530 38.005 38.487 0.080 0.000 1.417 253 N HN 0.347 nan 8.380 nan 0.000 0.482 254 E N 0.864 121.092 120.200 0.046 0.000 2.098 254 E HA 0.096 4.445 4.350 -0.000 0.000 0.196 254 E C 0.766 177.394 176.600 0.046 0.000 0.955 254 E CA 0.939 57.359 56.400 0.033 0.000 0.936 254 E CB -0.571 29.143 29.700 0.023 0.000 1.054 254 E HN 0.583 nan 8.360 nan 0.000 0.482 255 S N 1.827 117.556 115.700 0.048 0.000 3.844 255 S HA 0.118 4.588 4.470 -0.000 0.000 0.193 255 S C 0.093 174.740 174.600 0.078 0.000 1.255 255 S CA 0.025 58.255 58.200 0.051 0.000 1.028 255 S CB -0.569 62.653 63.200 0.037 0.000 1.436 255 S HN 0.104 nan 8.310 nan 0.000 0.442 256 Q N 0.682 120.548 119.800 0.111 0.000 2.353 256 Q HA 0.396 4.736 4.340 -0.000 0.000 0.275 256 Q C -0.104 176.013 176.000 0.195 0.000 1.029 256 Q CA -1.141 54.775 55.803 0.188 0.000 0.848 256 Q CB 1.715 30.645 28.738 0.321 0.000 1.390 256 Q HN 0.242 nan 8.270 nan 0.000 0.401 257 R N 0.145 120.775 120.500 0.218 0.000 1.389 257 R HA 0.216 4.556 4.340 -0.000 0.000 0.059 257 R C 0.822 177.200 176.300 0.130 0.000 0.439 257 R CA 1.170 57.376 56.100 0.177 0.000 2.089 257 R CB -0.584 29.836 30.300 0.201 0.000 0.466 257 R HN 1.027 nan 8.270 nan 0.000 0.773 258 G N -0.313 108.570 108.800 0.138 0.000 2.276 258 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.177 258 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.177 258 G C -0.521 174.346 174.900 -0.055 0.000 1.017 258 G CA -0.475 44.618 45.100 -0.012 0.000 0.750 258 G HN 0.250 nan 8.290 nan 0.000 0.506 259 E N 1.660 121.859 120.200 -0.001 0.000 2.384 259 E HA 0.219 4.568 4.350 -0.000 0.000 0.266 259 E C 0.369 176.717 176.600 -0.420 0.000 1.012 259 E CA -0.296 56.029 56.400 -0.125 0.000 0.901 259 E CB 1.043 30.786 29.700 0.072 0.000 0.967 259 E HN 0.433 nan 8.360 nan 0.000 0.435 260 D N 1.685 121.876 120.400 -0.350 0.000 2.354 260 D HA -0.086 4.554 4.640 -0.000 0.000 0.238 260 D C 0.560 176.522 176.300 -0.564 0.000 1.250 260 D CA -0.017 53.770 54.000 -0.355 0.000 0.911 260 D CB 0.890 41.569 40.800 -0.202 0.000 1.163 260 D HN 0.324 nan 8.370 nan 0.000 0.456 261 D N 0.357 120.531 120.400 -0.377 0.000 2.097 261 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 261 D C 2.032 178.235 176.300 -0.161 0.000 0.989 261 D CA 1.028 54.850 54.000 -0.297 0.000 0.827 261 D CB 0.088 40.808 40.800 -0.134 0.000 0.966 261 D HN 0.323 nan 8.370 nan 0.000 0.456 262 L N 0.044 121.214 121.223 -0.089 0.000 2.083 262 L HA -0.156 4.183 4.340 -0.000 0.000 0.209 262 L C 2.327 179.230 176.870 0.055 0.000 1.083 262 L CA 1.109 55.971 54.840 0.037 0.000 0.752 262 L CB -0.561 41.530 42.059 0.054 0.000 0.899 262 L HN 0.151 nan 8.230 nan 0.000 0.433 263 T N -0.480 114.054 114.554 -0.033 0.000 2.881 263 T HA -0.156 4.193 4.350 -0.000 0.000 0.270 263 T C 1.646 176.451 174.700 0.176 0.000 1.068 263 T CA 1.240 63.354 62.100 0.023 0.000 1.131 263 T CB -0.226 68.626 68.868 -0.027 0.000 0.871 263 T HN 0.250 nan 8.240 nan 0.000 0.479 264 F N 0.843 120.788 119.950 -0.008 0.000 2.149 264 F HA 0.033 4.560 4.527 -0.000 0.000 0.294 264 F C 2.543 178.307 175.800 -0.060 0.000 1.095 264 F CA 0.403 58.388 58.000 -0.025 0.000 1.276 264 F CB -0.054 38.937 39.000 -0.016 0.000 1.023 264 F HN -0.008 nan 8.300 nan 0.000 0.480 265 K N 1.055 121.547 120.400 0.153 0.000 2.280 265 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 265 K C 1.709 178.254 176.600 -0.092 0.000 1.047 265 K CA 0.767 57.055 56.287 0.002 0.000 0.942 265 K CB -0.293 32.256 32.500 0.081 0.000 0.739 265 K HN 0.253 nan 8.250 nan 0.000 0.457 266 L N -0.980 120.206 121.223 -0.062 0.000 2.068 266 L HA -0.024 4.316 4.340 -0.000 0.000 0.204 266 L C 2.324 179.145 176.870 -0.083 0.000 1.076 266 L CA 1.020 55.762 54.840 -0.163 0.000 0.753 266 L CB -0.654 41.328 42.059 -0.129 0.000 0.910 266 L HN 0.194 nan 8.230 nan 0.000 0.439 267 A N 0.146 122.959 122.820 -0.012 0.000 1.958 267 A HA -0.287 4.033 4.320 -0.000 0.000 0.221 267 A C 1.845 179.416 177.584 -0.022 0.000 1.178 267 A CA 2.323 54.360 52.037 0.000 0.000 0.642 267 A CB -0.604 18.414 19.000 0.030 0.000 0.816 267 A HN 0.380 nan 8.150 nan 0.000 0.453 268 D N -0.175 120.184 120.400 -0.067 0.000 2.084 268 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 268 D C 1.858 178.192 176.300 0.057 0.000 0.985 268 D CA 1.151 55.098 54.000 -0.088 0.000 0.826 268 D CB -0.378 40.137 40.800 -0.476 0.000 0.978 268 D HN 0.500 nan 8.370 nan 0.000 0.456 269 I N 0.366 120.928 120.570 -0.014 0.000 2.208 269 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 269 I C 2.259 178.396 176.117 0.034 0.000 1.097 269 I CA 0.531 61.868 61.300 0.062 0.000 1.363 269 I CB -0.087 37.866 38.000 -0.078 0.000 1.051 269 I HN 0.050 nan 8.210 nan 0.000 0.413 270 L N 0.900 122.117 121.223 -0.009 0.000 2.056 270 L HA -0.189 4.150 4.340 -0.000 0.000 0.207 270 L C 2.348 179.224 176.870 0.010 0.000 1.078 270 L CA 1.876 56.712 54.840 -0.006 0.000 0.749 270 L CB -0.692 41.361 42.059 -0.010 0.000 0.901 270 L HN 0.068 nan 8.230 nan 0.000 0.433 271 K N -0.560 119.853 120.400 0.022 0.000 1.973 271 K HA -0.117 4.203 4.320 -0.000 0.000 0.212 271 K C 2.065 178.685 176.600 0.034 0.000 1.047 271 K CA 1.548 57.847 56.287 0.020 0.000 0.937 271 K CB -0.581 31.936 32.500 0.028 0.000 0.721 271 K HN 0.420 nan 8.250 nan 0.000 0.440 272 A N 1.405 124.274 122.820 0.083 0.000 2.042 272 A HA -0.280 4.040 4.320 -0.000 0.000 0.222 272 A C 1.843 179.445 177.584 0.029 0.000 1.167 272 A CA 2.193 54.267 52.037 0.063 0.000 0.649 272 A CB -0.741 18.322 19.000 0.105 0.000 0.809 272 A HN 0.364 nan 8.150 nan 0.000 0.457 273 N N -0.201 118.517 118.700 0.029 0.000 2.132 273 N HA -0.019 4.721 4.740 -0.000 0.000 0.187 273 N C 1.554 177.064 175.510 -0.001 0.000 1.038 273 N CA 1.519 54.576 53.050 0.012 0.000 0.846 273 N CB -0.301 38.190 38.487 0.008 0.000 1.012 273 N HN 0.446 nan 8.380 nan 0.000 0.429 274 I N 0.165 120.729 120.570 -0.010 0.000 2.143 274 I HA -0.364 3.806 4.170 -0.000 0.000 0.245 274 I C 2.440 178.543 176.117 -0.023 0.000 1.068 274 I CA 1.354 62.639 61.300 -0.026 0.000 1.326 274 I CB -0.841 37.131 38.000 -0.047 0.000 1.028 274 I HN 0.271 nan 8.210 nan 0.000 0.412 275 S N 1.444 117.133 115.700 -0.018 0.000 2.392 275 S HA -0.284 4.186 4.470 -0.000 0.000 0.225 275 S C 1.994 176.585 174.600 -0.015 0.000 1.041 275 S CA 2.043 60.232 58.200 -0.018 0.000 1.100 275 S CB -0.676 62.516 63.200 -0.014 0.000 1.029 275 S HN 0.321 nan 8.310 nan 0.000 0.424 276 L N 2.306 123.522 121.223 -0.011 0.000 1.950 276 L HA -0.189 4.151 4.340 -0.000 0.000 0.233 276 L C 2.650 179.519 176.870 -0.002 0.000 1.090 276 L CA 2.916 57.749 54.840 -0.010 0.000 0.809 276 L CB -1.188 40.867 42.059 -0.008 0.000 0.905 276 L HN 0.623 nan 8.230 nan 0.000 0.439 277 E N -1.109 119.096 120.200 0.008 0.000 2.149 277 E HA -0.364 3.986 4.350 -0.000 0.000 0.215 277 E C 1.918 178.547 176.600 0.048 0.000 1.055 277 E CA 2.706 59.125 56.400 0.031 0.000 0.870 277 E CB -0.473 29.244 29.700 0.029 0.000 0.764 277 E HN 0.645 nan 8.360 nan 0.000 0.463 278 T N 0.954 115.518 114.554 0.016 0.000 2.977 278 T HA -0.068 4.282 4.350 -0.000 0.000 0.271 278 T C 1.700 176.417 174.700 0.028 0.000 1.105 278 T CA 0.692 62.799 62.100 0.011 0.000 1.116 278 T CB -0.051 68.801 68.868 -0.027 0.000 0.878 278 T HN 0.189 nan 8.240 nan 0.000 0.509 279 L N 0.162 121.392 121.223 0.012 0.000 2.249 279 L HA 0.113 4.453 4.340 -0.000 0.000 0.207 279 L C 2.117 178.976 176.870 -0.017 0.000 1.090 279 L CA 1.011 55.847 54.840 -0.007 0.000 0.802 279 L CB -0.153 41.892 42.059 -0.023 0.000 0.947 279 L HN 0.299 nan 8.230 nan 0.000 0.453 280 E N -1.469 118.728 120.200 -0.005 0.000 2.489 280 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 280 E C 1.083 177.660 176.600 -0.038 0.000 1.057 280 E CA 0.133 56.507 56.400 -0.043 0.000 0.866 280 E CB 0.247 29.926 29.700 -0.036 0.000 0.916 280 E HN 0.380 nan 8.360 nan 0.000 0.500 281 H N -0.187 118.859 119.070 -0.041 0.000 2.755 281 H HA 0.298 4.854 4.556 -0.000 0.000 0.273 281 H C 0.155 175.465 175.328 -0.031 0.000 1.055 281 H CA 0.222 56.252 56.048 -0.030 0.000 1.191 281 H CB 0.613 30.361 29.762 -0.023 0.000 1.536 281 H HN 0.135 nan 8.280 nan 0.000 0.529 282 N N -1.501 117.239 118.700 0.066 0.000 3.455 282 N HA 0.239 4.978 4.740 -0.000 0.000 0.358 282 N C -0.022 175.481 175.510 -0.012 0.000 1.580 282 N CA -0.755 52.313 53.050 0.030 0.000 0.692 282 N CB 0.876 39.377 38.487 0.023 0.000 1.978 282 N HN 0.014 nan 8.380 nan 0.000 0.651 283 G N 0.142 108.935 108.800 -0.012 0.000 2.239 283 G HA2 0.285 4.245 3.960 -0.000 0.000 0.278 283 G HA3 0.285 4.245 3.960 -0.000 0.000 0.278 283 G C -0.249 174.624 174.900 -0.045 0.000 1.071 283 G CA 0.011 45.097 45.100 -0.023 0.000 1.198 283 G HN 0.511 nan 8.290 nan 0.000 0.410 284 A N 5.949 128.720 122.820 -0.082 0.000 3.094 284 A HA 0.517 4.837 4.320 -0.000 0.000 0.288 284 A C -1.319 176.172 177.584 -0.155 0.000 1.519 284 A CA -1.364 50.580 52.037 -0.156 0.000 1.227 284 A CB 0.353 19.190 19.000 -0.272 0.000 1.175 284 A HN 0.524 nan 8.150 nan 0.000 0.568 285 P HA -0.065 nan 4.420 nan 0.000 0.237 285 P C 0.812 178.159 177.300 0.078 0.000 1.701 285 P CA 0.197 63.307 63.100 0.016 0.000 0.955 285 P CB -0.527 31.183 31.700 0.018 0.000 1.937 286 H N 1.592 120.704 119.070 0.070 0.000 1.454 286 H HA -0.257 4.299 4.556 -0.000 0.000 0.090 286 H C 0.619 176.041 175.328 0.157 0.000 1.147 286 H CA 2.287 58.411 56.048 0.127 0.000 1.900 286 H CB -1.552 28.339 29.762 0.215 0.000 2.257 286 H HN 0.521 nan 8.280 nan 0.000 0.961 287 H N 0.788 119.946 119.070 0.146 0.000 3.133 287 H HA 0.231 4.787 4.556 -0.000 0.000 0.280 287 H C 1.069 176.415 175.328 0.031 0.000 1.073 287 H CA 0.739 56.827 56.048 0.065 0.000 1.235 287 H CB -0.336 29.452 29.762 0.043 0.000 1.287 287 H HN 0.481 nan 8.280 nan 0.000 0.695 288 A N -0.970 121.916 122.820 0.109 0.000 2.425 288 A HA 0.209 4.529 4.320 -0.000 0.000 0.201 288 A C 1.821 179.411 177.584 0.010 0.000 1.431 288 A CA -0.255 51.810 52.037 0.047 0.000 1.066 288 A CB 0.169 19.192 19.000 0.039 0.000 1.318 288 A HN 0.349 nan 8.150 nan 0.000 0.534 289 I N 1.169 121.742 120.570 0.005 0.000 2.333 289 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 289 I C 2.457 178.557 176.117 -0.028 0.000 1.106 289 I CA 1.655 62.941 61.300 -0.023 0.000 1.411 289 I CB -0.072 37.901 38.000 -0.044 0.000 1.082 289 I HN 0.582 nan 8.210 nan 0.000 0.420 290 E N 0.625 120.805 120.200 -0.032 0.000 2.333 290 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 290 E C 1.627 178.199 176.600 -0.047 0.000 1.007 290 E CA 1.089 57.456 56.400 -0.055 0.000 0.845 290 E CB -0.294 29.347 29.700 -0.099 0.000 0.766 290 E HN 0.546 nan 8.360 nan 0.000 0.507 291 E N 1.045 121.226 120.200 -0.032 0.000 2.072 291 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 291 E C 2.057 178.628 176.600 -0.047 0.000 0.985 291 E CA 1.304 57.683 56.400 -0.035 0.000 0.801 291 E CB -0.070 29.617 29.700 -0.022 0.000 0.750 291 E HN 0.412 nan 8.360 nan 0.000 0.452 292 A N 0.617 123.412 122.820 -0.041 0.000 2.067 292 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 292 A C 1.970 179.528 177.584 -0.043 0.000 1.156 292 A CA 1.255 53.266 52.037 -0.043 0.000 0.683 292 A CB -0.285 18.695 19.000 -0.033 0.000 0.808 292 A HN 0.262 nan 8.150 nan 0.000 0.455 293 E N 0.057 120.231 120.200 -0.043 0.000 2.046 293 E HA -0.117 4.232 4.350 -0.000 0.000 0.190 293 E C 1.937 178.510 176.600 -0.046 0.000 0.982 293 E CA 1.267 57.641 56.400 -0.043 0.000 0.800 293 E CB -0.139 29.531 29.700 -0.051 0.000 0.756 293 E HN 0.466 nan 8.360 nan 0.000 0.449 294 S N 0.726 116.395 115.700 -0.052 0.000 2.400 294 S HA -0.175 4.294 4.470 -0.000 0.000 0.232 294 S C 1.746 176.332 174.600 -0.022 0.000 1.025 294 S CA 1.012 59.187 58.200 -0.041 0.000 0.993 294 S CB -0.330 62.842 63.200 -0.047 0.000 0.808 294 S HN 0.283 nan 8.310 nan 0.000 0.478 295 L N 1.479 122.667 121.223 -0.059 0.000 1.976 295 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 295 L C 2.088 178.923 176.870 -0.059 0.000 1.071 295 L CA 1.509 56.290 54.840 -0.098 0.000 0.746 295 L CB -0.915 41.063 42.059 -0.135 0.000 0.890 295 L HN 0.242 nan 8.230 nan 0.000 0.432 296 L N -0.197 121.007 121.223 -0.031 0.000 1.997 296 L HA -0.308 4.032 4.340 -0.000 0.000 0.216 296 L C 2.683 179.581 176.870 0.046 0.000 1.074 296 L CA 2.437 57.286 54.840 0.015 0.000 0.763 296 L CB -0.878 41.188 42.059 0.011 0.000 0.890 296 L HN 0.624 nan 8.230 nan 0.000 0.434 297 Q N -1.756 118.063 119.800 0.032 0.000 2.234 297 Q HA -0.276 4.063 4.340 -0.000 0.000 0.206 297 Q C 2.079 178.137 176.000 0.097 0.000 0.980 297 Q CA 1.991 57.820 55.803 0.044 0.000 0.869 297 Q CB -0.472 28.263 28.738 -0.004 0.000 0.912 297 Q HN 0.547 nan 8.270 nan 0.000 0.436 298 F N -0.193 119.730 119.950 -0.045 0.000 2.146 298 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 298 F C 1.703 177.554 175.800 0.085 0.000 1.096 298 F CA 2.114 60.100 58.000 -0.024 0.000 1.275 298 F CB -0.250 38.680 39.000 -0.117 0.000 1.008 298 F HN 0.221 nan 8.300 nan 0.000 0.480 299 H N -1.363 117.729 119.070 0.036 0.000 2.268 299 H HA -0.090 4.466 4.556 -0.000 0.000 0.304 299 H C 2.291 177.590 175.328 -0.048 0.000 1.064 299 H CA 1.317 57.331 56.048 -0.056 0.000 1.316 299 H CB -0.428 29.366 29.762 0.053 0.000 1.386 299 H HN 0.047 nan 8.280 nan 0.000 0.496 300 V N 1.208 121.203 119.914 0.134 0.000 2.636 300 V HA -0.312 3.808 4.120 -0.000 0.000 0.258 300 V C 2.419 178.555 176.094 0.070 0.000 1.092 300 V CA 1.606 63.961 62.300 0.093 0.000 1.110 300 V CB -0.847 31.020 31.823 0.074 0.000 0.685 300 V HN 0.525 nan 8.190 nan 0.000 0.481 301 A N -1.196 121.628 122.820 0.006 0.000 1.878 301 A HA -0.141 4.179 4.320 -0.000 0.000 0.213 301 A C 2.404 179.927 177.584 -0.102 0.000 1.192 301 A CA 1.920 53.924 52.037 -0.055 0.000 0.619 301 A CB -0.761 18.214 19.000 -0.042 0.000 0.837 301 A HN 0.406 nan 8.150 nan 0.000 0.446 302 T N -1.637 112.813 114.554 -0.173 0.000 2.821 302 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 302 T C 1.716 176.383 174.700 -0.054 0.000 1.046 302 T CA 1.645 63.621 62.100 -0.206 0.000 1.139 302 T CB -0.421 68.174 68.868 -0.455 0.000 0.871 302 T HN 0.567 nan 8.240 nan 0.000 0.454 303 Y N 0.722 120.952 120.300 -0.118 0.000 2.315 303 Y HA -0.096 4.453 4.550 -0.000 0.000 0.288 303 Y C 1.861 177.725 175.900 -0.060 0.000 1.154 303 Y CA 1.402 59.457 58.100 -0.074 0.000 1.229 303 Y CB -0.242 38.191 38.460 -0.046 0.000 0.980 303 Y HN 0.248 nan 8.280 nan 0.000 0.540 304 M N -1.000 118.519 119.600 -0.136 0.000 2.508 304 M HA 0.048 4.527 4.480 -0.000 0.000 0.238 304 M C 0.002 176.227 176.300 -0.125 0.000 1.210 304 M CA 0.769 55.940 55.300 -0.216 0.000 1.231 304 M CB -0.040 32.428 32.600 -0.220 0.000 1.201 304 M HN -0.067 nan 8.290 nan 0.000 0.491 305 D N 0.632 120.975 120.400 -0.094 0.000 2.217 305 D HA 0.177 4.817 4.640 -0.000 0.000 0.243 305 D C -1.123 175.133 176.300 -0.072 0.000 1.054 305 D CA -0.006 53.960 54.000 -0.057 0.000 0.838 305 D CB 0.943 41.731 40.800 -0.020 0.000 1.162 305 D HN 0.051 nan 8.370 nan 0.000 0.472 306 N N 2.858 121.521 118.700 -0.061 0.000 2.517 306 N HA 0.139 4.879 4.740 -0.000 0.000 0.285 306 N C -1.347 174.146 175.510 -0.028 0.000 1.528 306 N CA -0.262 52.753 53.050 -0.059 0.000 0.892 306 N CB 0.394 38.847 38.487 -0.057 0.000 1.356 306 N HN 0.277 nan 8.380 nan 0.000 0.495 307 D N 0.672 121.060 120.400 -0.020 0.000 2.940 307 D HA 0.213 4.852 4.640 -0.000 0.000 0.366 307 D C 0.282 176.584 176.300 0.004 0.000 1.446 307 D CA -0.119 53.877 54.000 -0.007 0.000 0.780 307 D CB 0.939 41.728 40.800 -0.017 0.000 1.206 307 D HN 0.304 nan 8.370 nan 0.000 0.454 308 I N 0.528 121.105 120.570 0.012 0.000 2.945 308 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 308 I C 2.020 178.160 176.117 0.038 0.000 1.093 308 I CA -0.543 60.773 61.300 0.026 0.000 1.336 308 I CB 0.874 38.894 38.000 0.033 0.000 1.435 308 I HN -0.069 nan 8.210 nan 0.000 0.593 309 A N 3.394 126.239 122.820 0.042 0.000 1.865 309 A HA -0.083 4.236 4.320 -0.000 0.000 0.217 309 A C 1.704 179.319 177.584 0.053 0.000 1.191 309 A CA 1.661 53.724 52.037 0.044 0.000 0.623 309 A CB -1.276 17.751 19.000 0.045 0.000 0.826 309 A HN 0.931 nan 8.150 nan 0.000 0.444 310 G N -0.588 108.252 108.800 0.066 0.000 2.852 310 G HA2 0.317 4.276 3.960 -0.000 0.000 0.280 310 G HA3 0.317 4.276 3.960 -0.000 0.000 0.280 310 G C 0.510 175.464 174.900 0.089 0.000 0.731 310 G CA 0.349 45.494 45.100 0.075 0.000 2.037 310 G HN 0.630 nan 8.290 nan 0.000 0.560 311 Q N 1.271 121.114 119.800 0.071 0.000 2.293 311 Q HA -0.240 4.100 4.340 -0.000 0.000 0.223 311 Q C -0.904 175.161 176.000 0.107 0.000 1.087 311 Q CA 2.020 57.868 55.803 0.074 0.000 0.966 311 Q CB -1.144 27.627 28.738 0.055 0.000 1.076 311 Q HN 0.458 nan 8.270 nan 0.000 0.488 312 P HA -0.211 nan 4.420 nan 0.000 0.035 312 P C -0.513 176.930 177.300 0.238 0.000 0.507 312 P CA 0.889 64.093 63.100 0.172 0.000 1.047 312 P CB -0.378 31.438 31.700 0.194 0.000 1.842 313 Q N 1.716 121.609 119.800 0.154 0.000 2.576 313 Q HA -0.087 4.253 4.340 -0.000 0.000 0.218 313 Q C 0.979 177.073 176.000 0.156 0.000 0.983 313 Q CA 1.025 56.902 55.803 0.124 0.000 0.920 313 Q CB -0.273 28.512 28.738 0.079 0.000 0.973 313 Q HN 0.598 nan 8.270 nan 0.000 0.528 314 A N 0.672 123.669 122.820 0.294 0.000 2.183 314 A HA -0.194 4.126 4.320 -0.000 0.000 0.278 314 A C -0.154 177.540 177.584 0.183 0.000 1.404 314 A CA 0.306 52.548 52.037 0.341 0.000 0.737 314 A CB -1.934 17.179 19.000 0.188 0.000 1.172 314 A HN 0.368 nan 8.150 nan 0.000 0.338 315 L N 0.906 122.223 121.223 0.155 0.000 2.375 315 L HA 0.423 4.762 4.340 -0.000 0.000 0.271 315 L C 0.981 177.914 176.870 0.105 0.000 1.107 315 L CA -0.361 54.542 54.840 0.106 0.000 0.806 315 L CB 1.166 43.274 42.059 0.082 0.000 1.146 315 L HN 0.801 nan 8.230 nan 0.000 0.447 316 Q N 2.282 122.137 119.800 0.093 0.000 2.261 316 Q HA 0.109 4.448 4.340 -0.000 0.000 0.252 316 Q C -0.314 175.731 176.000 0.076 0.000 0.915 316 Q CA -0.559 55.304 55.803 0.100 0.000 0.915 316 Q CB 1.093 29.911 28.738 0.133 0.000 1.204 316 Q HN 0.337 nan 8.270 nan 0.000 0.421 317 K N 2.050 122.484 120.400 0.057 0.000 2.320 317 K HA -0.086 4.234 4.320 -0.000 0.000 0.273 317 K C -0.601 176.026 176.600 0.044 0.000 1.146 317 K CA 1.196 57.505 56.287 0.037 0.000 1.144 317 K CB -0.310 32.197 32.500 0.012 0.000 0.878 317 K HN 0.818 nan 8.250 nan 0.000 0.458 318 S N 0.824 116.550 115.700 0.043 0.000 4.704 318 S HA -0.023 4.447 4.470 -0.000 0.000 0.038 318 S C 0.924 175.547 174.600 0.038 0.000 0.864 318 S CA -0.063 58.161 58.200 0.041 0.000 0.902 318 S CB -1.377 61.856 63.200 0.055 0.000 0.329 318 S HN 0.936 nan 8.310 nan 0.000 0.805 319 G N 2.581 111.405 108.800 0.040 0.000 2.396 319 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.242 319 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.242 319 G C 0.107 175.031 174.900 0.041 0.000 1.069 319 G CA 0.589 45.712 45.100 0.037 0.000 0.633 319 G HN 1.202 nan 8.290 nan 0.000 0.517 320 R N 2.143 122.669 120.500 0.043 0.000 2.504 320 R HA 0.231 4.571 4.340 -0.000 0.000 0.291 320 R C -1.332 174.997 176.300 0.048 0.000 0.974 320 R CA -0.135 55.989 56.100 0.040 0.000 1.077 320 R CB 0.511 30.836 30.300 0.042 0.000 0.926 320 R HN 0.164 nan 8.270 nan 0.000 0.407 321 P HA -0.068 nan 4.420 nan 0.000 0.228 321 P C -0.608 176.714 177.300 0.038 0.000 1.151 321 P CA 0.501 63.625 63.100 0.040 0.000 0.770 321 P CB 0.194 31.910 31.700 0.026 0.000 0.786 322 V N -1.309 118.625 119.914 0.034 0.000 3.344 322 V HA -0.169 3.951 4.120 -0.000 0.000 0.473 322 V C -0.091 176.003 176.094 -0.001 0.000 0.682 322 V CA -0.001 62.316 62.300 0.028 0.000 2.007 322 V CB -0.871 30.981 31.823 0.048 0.000 2.460 322 V HN 0.173 nan 8.190 nan 0.000 0.499 323 K N 5.077 125.466 120.400 -0.018 0.000 2.315 323 K HA 0.325 4.644 4.320 -0.000 0.000 0.281 323 K C 0.717 177.283 176.600 -0.056 0.000 1.086 323 K CA 0.874 57.138 56.287 -0.038 0.000 1.042 323 K CB 0.397 32.869 32.500 -0.047 0.000 0.949 323 K HN 0.901 nan 8.250 nan 0.000 0.450 324 S N 2.254 117.916 115.700 -0.063 0.000 2.576 324 S HA 0.071 4.540 4.470 -0.000 0.000 0.272 324 S C 1.544 176.066 174.600 -0.130 0.000 1.352 324 S CA -0.624 57.518 58.200 -0.097 0.000 1.021 324 S CB 0.496 63.645 63.200 -0.085 0.000 0.887 324 S HN 0.482 nan 8.310 nan 0.000 0.542 325 I N 1.197 121.644 120.570 -0.204 0.000 2.163 325 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 325 I C 2.953 178.991 176.117 -0.132 0.000 1.085 325 I CA 1.943 63.126 61.300 -0.194 0.000 1.347 325 I CB -0.480 37.355 38.000 -0.275 0.000 1.044 325 I HN 0.834 nan 8.210 nan 0.000 0.408 326 R N 1.840 122.269 120.500 -0.117 0.000 2.113 326 R HA -0.259 4.081 4.340 -0.000 0.000 0.244 326 R C 2.344 178.578 176.300 -0.110 0.000 1.142 326 R CA 2.086 58.115 56.100 -0.117 0.000 0.953 326 R CB -0.520 29.728 30.300 -0.087 0.000 0.860 326 R HN 0.328 nan 8.270 nan 0.000 0.438 327 A N 1.500 124.265 122.820 -0.092 0.000 1.927 327 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 327 A C 2.235 179.772 177.584 -0.078 0.000 1.185 327 A CA 1.955 53.946 52.037 -0.078 0.000 0.639 327 A CB -0.662 18.299 19.000 -0.066 0.000 0.820 327 A HN 0.516 nan 8.150 nan 0.000 0.451 328 R N -0.749 119.702 120.500 -0.081 0.000 2.159 328 R HA -0.058 4.282 4.340 -0.000 0.000 0.237 328 R C 1.575 177.831 176.300 -0.072 0.000 1.131 328 R CA 1.444 57.500 56.100 -0.072 0.000 0.982 328 R CB -0.387 29.869 30.300 -0.073 0.000 0.868 328 R HN 0.601 nan 8.270 nan 0.000 0.453 329 L N -0.240 120.929 121.223 -0.090 0.000 2.515 329 L HA 0.154 4.494 4.340 -0.000 0.000 0.223 329 L C 0.540 177.353 176.870 -0.095 0.000 1.079 329 L CA -0.149 54.635 54.840 -0.092 0.000 0.857 329 L CB -0.047 41.942 42.059 -0.117 0.000 1.050 329 L HN -0.102 nan 8.230 nan 0.000 0.476 330 K N 2.317 122.656 120.400 -0.101 0.000 2.466 330 K HA 0.086 4.405 4.320 -0.000 0.000 0.278 330 K C 0.823 177.374 176.600 -0.081 0.000 1.048 330 K CA 0.037 56.264 56.287 -0.100 0.000 1.088 330 K CB 0.409 32.852 32.500 -0.095 0.000 0.884 330 K HN 0.172 nan 8.250 nan 0.000 0.478 331 G N 3.065 111.816 108.800 -0.082 0.000 2.497 331 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.228 331 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.228 331 G C -0.400 174.470 174.900 -0.051 0.000 1.190 331 G CA 0.085 45.147 45.100 -0.063 0.000 0.857 331 G HN 0.738 nan 8.290 nan 0.000 0.526 332 K N 0.685 121.067 120.400 -0.030 0.000 7.179 332 K HA -0.222 4.098 4.320 -0.000 0.000 0.702 332 K C 0.920 177.504 176.600 -0.027 0.000 2.556 332 K CA 1.466 57.740 56.287 -0.022 0.000 1.884 332 K CB -0.702 31.781 32.500 -0.029 0.000 2.172 332 K HN 1.060 nan 8.250 nan 0.000 0.261 333 E N -1.194 118.994 120.200 -0.019 0.000 3.562 333 E HA -0.247 4.103 4.350 -0.000 0.000 0.298 333 E C 0.427 177.010 176.600 -0.028 0.000 0.830 333 E CA 1.934 58.321 56.400 -0.022 0.000 1.013 333 E CB -1.544 28.141 29.700 -0.026 0.000 1.510 333 E HN 0.844 nan 8.360 nan 0.000 0.463 334 G N 0.159 108.939 108.800 -0.032 0.000 2.574 334 G HA2 0.425 4.385 3.960 -0.000 0.000 0.306 334 G HA3 0.425 4.385 3.960 -0.000 0.000 0.306 334 G C 0.510 175.387 174.900 -0.038 0.000 1.334 334 G CA 0.130 45.206 45.100 -0.040 0.000 0.954 334 G HN 0.003 nan 8.290 nan 0.000 0.500 335 R N 1.684 122.163 120.500 -0.035 0.000 3.272 335 R HA -0.342 3.998 4.340 -0.000 0.000 0.425 335 R C 2.234 178.520 176.300 -0.023 0.000 0.688 335 R CA 2.362 58.444 56.100 -0.030 0.000 0.235 335 R CB -1.269 29.009 30.300 -0.038 0.000 0.583 335 R HN 0.508 nan 8.270 nan 0.000 0.231 336 I N 0.186 120.739 120.570 -0.029 0.000 2.039 336 I HA -0.293 3.877 4.170 -0.000 0.000 0.233 336 I C 2.443 178.555 176.117 -0.008 0.000 1.040 336 I CA 2.024 63.313 61.300 -0.019 0.000 1.308 336 I CB -1.109 36.875 38.000 -0.027 0.000 1.035 336 I HN 0.394 nan 8.210 nan 0.000 0.392 337 R N 0.115 120.610 120.500 -0.009 0.000 2.189 337 R HA -0.074 4.266 4.340 -0.000 0.000 0.218 337 R C 2.066 178.367 176.300 0.002 0.000 1.074 337 R CA 1.200 57.303 56.100 0.004 0.000 0.991 337 R CB -0.197 30.107 30.300 0.006 0.000 0.883 337 R HN 0.531 nan 8.270 nan 0.000 0.457 338 G N -0.995 107.801 108.800 -0.007 0.000 2.762 338 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.209 338 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.209 338 G C 1.021 175.919 174.900 -0.004 0.000 1.134 338 G CA -0.138 44.959 45.100 -0.005 0.000 0.781 338 G HN 0.204 nan 8.290 nan 0.000 0.528 339 N N -0.342 118.354 118.700 -0.007 0.000 2.227 339 N HA 0.253 4.993 4.740 -0.000 0.000 0.196 339 N C 1.505 177.014 175.510 -0.002 0.000 1.142 339 N CA 0.153 53.200 53.050 -0.005 0.000 0.887 339 N CB 0.976 39.457 38.487 -0.011 0.000 1.022 339 N HN 0.269 nan 8.380 nan 0.000 0.500 340 L N -0.569 120.653 121.223 -0.002 0.000 2.638 340 L HA 0.264 4.604 4.340 -0.000 0.000 0.195 340 L C 1.620 178.491 176.870 0.002 0.000 1.065 340 L CA 0.052 54.892 54.840 -0.001 0.000 0.859 340 L CB -0.185 41.873 42.059 -0.002 0.000 1.269 340 L HN -0.092 nan 8.230 nan 0.000 0.484 341 M N 0.547 120.150 119.600 0.005 0.000 2.539 341 M HA 0.135 4.615 4.480 -0.000 0.000 0.261 341 M C 0.730 177.034 176.300 0.006 0.000 1.069 341 M CA 0.589 55.894 55.300 0.008 0.000 1.081 341 M CB -0.970 31.641 32.600 0.018 0.000 1.412 341 M HN 0.279 nan 8.290 nan 0.000 0.482 342 G N 0.682 109.486 108.800 0.007 0.000 2.733 342 G HA2 0.547 4.506 3.960 -0.000 0.000 0.297 342 G HA3 0.547 4.506 3.960 -0.000 0.000 0.297 342 G C -1.270 173.638 174.900 0.013 0.000 1.452 342 G CA -0.863 44.243 45.100 0.010 0.000 0.940 342 G HN 0.247 nan 8.290 nan 0.000 0.547 343 K N 0.053 120.466 120.400 0.021 0.000 2.548 343 K HA 0.650 4.970 4.320 -0.000 0.000 0.282 343 K C -0.583 176.042 176.600 0.042 0.000 1.006 343 K CA -1.273 55.029 56.287 0.025 0.000 0.892 343 K CB 1.852 34.364 32.500 0.020 0.000 1.499 343 K HN 0.587 nan 8.250 nan 0.000 0.433 344 R N 0.697 121.220 120.500 0.038 0.000 2.539 344 R HA 0.417 4.756 4.340 -0.000 0.000 0.275 344 R C 0.218 176.555 176.300 0.062 0.000 1.077 344 R CA -0.840 55.289 56.100 0.049 0.000 1.097 344 R CB 0.770 31.088 30.300 0.030 0.000 1.018 344 R HN 0.551 nan 8.270 nan 0.000 0.483 345 V N -1.921 118.046 119.914 0.088 0.000 3.102 345 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 345 V C -0.713 175.442 176.094 0.103 0.000 1.135 345 V CA -1.175 61.193 62.300 0.112 0.000 1.022 345 V CB 2.336 34.263 31.823 0.173 0.000 1.056 345 V HN 0.575 nan 8.190 nan 0.000 0.436 346 D N 0.467 120.947 120.400 0.134 0.000 2.451 346 D HA 0.498 5.138 4.640 -0.000 0.000 0.259 346 D C 0.047 176.462 176.300 0.193 0.000 1.201 346 D CA -0.028 54.023 54.000 0.084 0.000 1.028 346 D CB 0.163 41.033 40.800 0.115 0.000 1.095 346 D HN 0.728 nan 8.370 nan 0.000 0.539 347 F N -0.720 119.257 119.950 0.044 0.000 2.943 347 F HA -0.248 4.279 4.527 -0.000 0.000 0.258 347 F C 0.330 176.149 175.800 0.032 0.000 0.995 347 F CA 0.270 58.303 58.000 0.056 0.000 0.896 347 F CB -1.891 37.154 39.000 0.076 0.000 0.821 347 F HN 0.109 nan 8.300 nan 0.000 0.828 348 S N -1.046 114.665 115.700 0.018 0.000 2.627 348 S HA 1.009 5.479 4.470 -0.000 0.000 0.283 348 S C -0.461 174.107 174.600 -0.053 0.000 1.127 348 S CA -0.421 57.710 58.200 -0.115 0.000 0.863 348 S CB 2.713 65.783 63.200 -0.216 0.000 1.121 348 S HN 1.270 nan 8.310 nan 0.000 0.479 349 A N 0.859 123.663 122.820 -0.026 0.000 2.589 349 A HA 0.870 5.190 4.320 -0.000 0.000 0.296 349 A C -0.920 176.788 177.584 0.207 0.000 1.062 349 A CA -0.811 51.285 52.037 0.097 0.000 0.686 349 A CB 1.663 20.776 19.000 0.189 0.000 1.282 349 A HN 0.987 nan 8.150 nan 0.000 0.404 350 R N 0.303 120.903 120.500 0.167 0.000 2.698 350 R HA 0.828 5.168 4.340 -0.000 0.000 0.275 350 R C -1.299 175.024 176.300 0.039 0.000 1.001 350 R CA 0.195 56.428 56.100 0.221 0.000 0.896 350 R CB 2.282 32.645 30.300 0.106 0.000 1.218 350 R HN 1.171 nan 8.270 nan 0.000 0.462 351 T N 1.058 115.624 114.554 0.019 0.000 2.843 351 T HA 0.163 4.513 4.350 -0.000 0.000 0.337 351 T C -1.228 173.434 174.700 -0.063 0.000 1.754 351 T CA -0.517 61.479 62.100 -0.173 0.000 1.052 351 T CB 1.088 69.659 68.868 -0.495 0.000 1.588 351 T HN 0.275 nan 8.240 nan 0.000 0.493 352 V N 4.267 124.147 119.914 -0.057 0.000 2.752 352 V HA 0.186 4.306 4.120 -0.000 0.000 0.306 352 V C 1.024 177.151 176.094 0.055 0.000 1.099 352 V CA 0.595 62.903 62.300 0.013 0.000 1.240 352 V CB -0.547 31.271 31.823 -0.008 0.000 0.887 352 V HN 0.687 nan 8.190 nan 0.000 0.499 353 I N 2.487 123.148 120.570 0.151 0.000 2.793 353 I HA 0.937 5.107 4.170 -0.000 0.000 0.313 353 I C -0.039 176.120 176.117 0.071 0.000 0.998 353 I CA -0.403 61.018 61.300 0.201 0.000 1.140 353 I CB 2.275 40.476 38.000 0.335 0.000 1.327 353 I HN 0.670 nan 8.210 nan 0.000 0.491 354 S N 1.607 117.160 115.700 -0.245 0.000 2.543 354 S HA 0.606 5.076 4.470 -0.000 0.000 0.273 354 S C -0.319 173.533 174.600 -1.248 0.000 1.152 354 S CA -0.622 57.049 58.200 -0.883 0.000 0.910 354 S CB 0.806 63.761 63.200 -0.408 0.000 1.105 354 S HN 1.216 nan 8.310 nan 0.000 0.465 355 G N 0.729 108.154 108.800 -2.291 0.000 2.544 355 G HA2 0.461 4.420 3.960 -0.000 0.000 0.242 355 G HA3 0.461 4.420 3.960 -0.000 0.000 0.242 355 G C -0.905 173.777 174.900 -0.363 0.000 1.247 355 G CA -0.014 44.555 45.100 -0.885 0.000 0.840 355 G HN 0.784 nan 8.290 nan 0.000 0.578 356 D N 1.166 121.484 120.400 -0.137 0.000 2.763 356 D HA 0.238 4.877 4.640 -0.000 0.000 0.235 356 D C -2.128 174.171 176.300 -0.002 0.000 1.334 356 D CA -1.399 52.557 54.000 -0.074 0.000 0.950 356 D CB 2.669 43.429 40.800 -0.067 0.000 1.433 356 D HN 0.148 nan 8.370 nan 0.000 0.580 357 P HA 0.169 nan 4.420 nan 0.000 0.255 357 P C 0.053 177.388 177.300 0.058 0.000 1.357 357 P CA 0.004 63.125 63.100 0.035 0.000 0.839 357 P CB 0.335 32.043 31.700 0.013 0.000 1.356 358 N N -0.305 118.433 118.700 0.063 0.000 2.238 358 N HA 0.218 4.958 4.740 -0.000 0.000 0.235 358 N C -0.142 175.417 175.510 0.081 0.000 1.209 358 N CA -0.054 53.056 53.050 0.101 0.000 0.879 358 N CB 1.052 39.612 38.487 0.121 0.000 1.136 358 N HN 0.229 nan 8.380 nan 0.000 0.517 359 L N 1.190 122.450 121.223 0.062 0.000 2.329 359 L HA 0.338 4.677 4.340 -0.000 0.000 0.279 359 L C 0.603 177.512 176.870 0.065 0.000 1.014 359 L CA -0.763 54.108 54.840 0.051 0.000 0.814 359 L CB 1.746 43.822 42.059 0.028 0.000 1.257 359 L HN -0.148 nan 8.230 nan 0.000 0.424 360 E N 1.251 121.488 120.200 0.062 0.000 2.442 360 E HA -0.081 4.269 4.350 -0.000 0.000 0.260 360 E C 0.778 177.415 176.600 0.062 0.000 1.148 360 E CA -0.053 56.387 56.400 0.067 0.000 0.976 360 E CB 0.770 30.503 29.700 0.054 0.000 0.967 360 E HN 0.425 nan 8.360 nan 0.000 0.454 361 L N 1.998 123.249 121.223 0.047 0.000 2.013 361 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 361 L C 1.491 178.372 176.870 0.019 0.000 1.073 361 L CA 2.273 57.106 54.840 -0.012 0.000 0.753 361 L CB -0.472 41.503 42.059 -0.141 0.000 0.890 361 L HN 0.608 nan 8.230 nan 0.000 0.432 362 D N -1.594 118.809 120.400 0.006 0.000 2.325 362 D HA -0.048 4.592 4.640 -0.000 0.000 0.234 362 D C 0.303 176.670 176.300 0.111 0.000 1.122 362 D CA -0.085 53.910 54.000 -0.009 0.000 0.850 362 D CB 0.126 40.885 40.800 -0.067 0.000 0.921 362 D HN 0.547 nan 8.370 nan 0.000 0.513 363 Q N -0.042 119.843 119.800 0.142 0.000 2.293 363 Q HA 0.568 4.908 4.340 -0.000 0.000 0.216 363 Q C -0.847 175.185 176.000 0.054 0.000 1.003 363 Q CA -1.082 54.778 55.803 0.094 0.000 0.995 363 Q CB 2.919 31.675 28.738 0.030 0.000 1.172 363 Q HN 0.030 nan 8.270 nan 0.000 0.518 364 V N -0.081 119.754 119.914 -0.131 0.000 2.719 364 V HA 0.431 4.551 4.120 -0.000 0.000 0.289 364 V C -0.858 175.086 176.094 -0.250 0.000 1.167 364 V CA -0.392 61.677 62.300 -0.384 0.000 0.929 364 V CB 1.352 32.615 31.823 -0.934 0.000 1.050 364 V HN 0.819 nan 8.190 nan 0.000 0.448 365 G N 5.496 114.205 108.800 -0.152 0.000 2.313 365 G HA2 0.473 4.433 3.960 -0.000 0.000 0.250 365 G HA3 0.473 4.433 3.960 -0.000 0.000 0.250 365 G C -0.518 174.383 174.900 0.002 0.000 1.281 365 G CA 0.012 45.076 45.100 -0.061 0.000 0.917 365 G HN 1.029 nan 8.290 nan 0.000 0.501 366 V N 6.195 126.114 119.914 0.008 0.000 2.409 366 V HA 0.328 4.448 4.120 -0.000 0.000 0.291 366 V C -1.879 174.215 176.094 0.000 0.000 1.020 366 V CA -1.794 60.559 62.300 0.088 0.000 0.848 366 V CB 2.176 34.043 31.823 0.072 0.000 0.990 366 V HN 0.671 nan 8.190 nan 0.000 0.430 367 P HA 0.015 nan 4.420 nan 0.000 0.263 367 P C 0.604 177.828 177.300 -0.128 0.000 1.195 367 P CA 0.146 63.184 63.100 -0.102 0.000 0.762 367 P CB 0.967 32.574 31.700 -0.154 0.000 0.799 368 K N 3.590 123.876 120.400 -0.189 0.000 2.077 368 K HA -0.259 4.061 4.320 -0.000 0.000 0.213 368 K C 2.081 178.570 176.600 -0.185 0.000 1.051 368 K CA 2.446 58.566 56.287 -0.278 0.000 0.929 368 K CB -0.561 31.755 32.500 -0.306 0.000 0.715 368 K HN 0.445 nan 8.250 nan 0.000 0.451 369 S N 0.622 116.238 115.700 -0.140 0.000 2.381 369 S HA -0.220 4.250 4.470 -0.000 0.000 0.230 369 S C 1.944 176.511 174.600 -0.056 0.000 1.052 369 S CA 1.914 60.057 58.200 -0.095 0.000 1.068 369 S CB -0.460 62.682 63.200 -0.096 0.000 0.918 369 S HN 0.438 nan 8.310 nan 0.000 0.448 370 I N 1.427 121.965 120.570 -0.054 0.000 2.406 370 I HA -0.019 4.151 4.170 -0.000 0.000 0.249 370 I C 2.935 179.087 176.117 0.058 0.000 1.122 370 I CA 0.908 62.210 61.300 0.004 0.000 1.431 370 I CB -0.631 37.379 38.000 0.017 0.000 1.087 370 I HN 0.471 nan 8.210 nan 0.000 0.424 371 A N 0.766 123.600 122.820 0.024 0.000 2.015 371 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 371 A C 2.132 179.833 177.584 0.196 0.000 1.163 371 A CA 1.211 53.304 52.037 0.095 0.000 0.646 371 A CB -0.319 18.674 19.000 -0.012 0.000 0.806 371 A HN 0.312 nan 8.150 nan 0.000 0.448 372 K N -0.779 119.670 120.400 0.082 0.000 2.487 372 K HA 0.040 4.360 4.320 -0.000 0.000 0.192 372 K C 1.035 177.856 176.600 0.369 0.000 1.027 372 K CA 1.075 57.436 56.287 0.124 0.000 1.054 372 K CB 0.090 32.548 32.500 -0.070 0.000 0.824 372 K HN 0.444 nan 8.250 nan 0.000 0.510 373 T N 0.787 115.474 114.554 0.222 0.000 3.087 373 T HA 0.170 4.520 4.350 -0.000 0.000 0.237 373 T C 0.647 175.428 174.700 0.135 0.000 0.990 373 T CA -0.069 62.114 62.100 0.138 0.000 1.160 373 T CB 0.224 69.127 68.868 0.059 0.000 0.923 373 T HN -0.013 nan 8.240 nan 0.000 0.442 374 L N 3.331 124.652 121.223 0.163 0.000 2.416 374 L HA 0.375 4.715 4.340 -0.000 0.000 0.272 374 L C 0.839 177.888 176.870 0.299 0.000 1.161 374 L CA -0.310 54.655 54.840 0.208 0.000 0.845 374 L CB 0.329 42.522 42.059 0.225 0.000 1.119 374 L HN 0.349 nan 8.230 nan 0.000 0.464 375 T N -0.562 114.243 114.554 0.418 0.000 2.858 375 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 375 T C -1.206 173.727 174.700 0.388 0.000 1.052 375 T CA -0.768 61.552 62.100 0.366 0.000 1.009 375 T CB 1.881 70.930 68.868 0.302 0.000 1.241 375 T HN 0.417 nan 8.240 nan 0.000 0.542 376 Y N 1.429 121.800 120.300 0.118 0.000 2.396 376 Y HA 0.524 5.074 4.550 -0.000 0.000 0.332 376 Y C -2.839 173.066 175.900 0.008 0.000 1.034 376 Y CA -2.488 55.623 58.100 0.019 0.000 1.057 376 Y CB 2.565 41.042 38.460 0.028 0.000 1.220 376 Y HN 0.502 nan 8.280 nan 0.000 0.440 377 P HA 0.106 nan 4.420 nan 0.000 0.274 377 P C -0.866 176.214 177.300 -0.366 0.000 1.470 377 P CA 0.167 63.053 63.100 -0.355 0.000 1.001 377 P CB 0.833 32.314 31.700 -0.365 0.000 1.332 378 E N 2.733 122.938 120.200 0.009 0.000 2.277 378 E HA 0.334 4.683 4.350 -0.000 0.000 0.274 378 E C -0.843 175.802 176.600 0.075 0.000 1.022 378 E CA -0.873 55.628 56.400 0.168 0.000 0.853 378 E CB 1.159 31.017 29.700 0.263 0.000 1.086 378 E HN 0.099 nan 8.360 nan 0.000 0.397 379 V N 4.456 124.416 119.914 0.078 0.000 2.427 379 V HA 0.114 4.234 4.120 -0.000 0.000 0.286 379 V C -0.179 175.943 176.094 0.047 0.000 1.034 379 V CA -0.869 61.468 62.300 0.062 0.000 0.893 379 V CB 1.644 33.499 31.823 0.053 0.000 0.982 379 V HN 0.571 nan 8.190 nan 0.000 0.452 380 V N 4.910 124.850 119.914 0.043 0.000 2.484 380 V HA 0.036 4.156 4.120 -0.000 0.000 0.276 380 V C 0.774 176.771 176.094 -0.162 0.000 0.976 380 V CA 0.929 63.194 62.300 -0.058 0.000 1.141 380 V CB 0.007 31.796 31.823 -0.057 0.000 0.975 380 V HN 1.012 nan 8.190 nan 0.000 0.466 381 T N 6.943 121.377 114.554 -0.200 0.000 2.912 381 T HA 0.476 4.826 4.350 -0.000 0.000 0.288 381 T C -1.270 173.180 174.700 -0.417 0.000 1.030 381 T CA -2.049 59.886 62.100 -0.275 0.000 1.020 381 T CB 2.140 70.891 68.868 -0.196 0.000 1.056 381 T HN 0.414 nan 8.240 nan 0.000 0.480 382 P HA -0.135 nan 4.420 nan 0.000 0.218 382 P C 0.987 178.258 177.300 -0.048 0.000 1.146 382 P CA 1.381 64.335 63.100 -0.244 0.000 0.813 382 P CB -0.149 31.605 31.700 0.089 0.000 0.778 383 Y N 1.005 121.290 120.300 -0.025 0.000 2.483 383 Y HA -0.132 4.418 4.550 -0.000 0.000 0.291 383 Y C 1.730 177.611 175.900 -0.033 0.000 1.143 383 Y CA 0.666 58.758 58.100 -0.013 0.000 1.289 383 Y CB -0.553 37.910 38.460 0.005 0.000 0.983 383 Y HN 0.240 nan 8.280 nan 0.000 0.556 384 N N -2.654 116.083 118.700 0.063 0.000 1.986 384 N HA -0.026 4.713 4.740 -0.000 0.000 0.227 384 N C 0.860 176.340 175.510 -0.051 0.000 1.387 384 N CA -0.113 52.948 53.050 0.018 0.000 0.810 384 N CB -0.909 37.604 38.487 0.043 0.000 1.140 384 N HN 0.063 nan 8.380 nan 0.000 0.504 385 I N 1.885 122.370 120.570 -0.142 0.000 2.113 385 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 385 I C 1.008 177.070 176.117 -0.092 0.000 1.057 385 I CA 1.908 63.098 61.300 -0.184 0.000 1.314 385 I CB -0.527 37.294 38.000 -0.298 0.000 1.022 385 I HN 0.169 nan 8.210 nan 0.000 0.408 386 D N -0.221 120.143 120.400 -0.060 0.000 2.087 386 D HA -0.225 4.414 4.640 -0.000 0.000 0.192 386 D C 2.229 178.518 176.300 -0.019 0.000 0.993 386 D CA 1.342 55.323 54.000 -0.031 0.000 0.828 386 D CB -0.420 40.371 40.800 -0.015 0.000 0.968 386 D HN 0.288 nan 8.370 nan 0.000 0.448 387 R N 0.370 120.863 120.500 -0.011 0.000 2.097 387 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 387 R C 2.618 178.916 176.300 -0.003 0.000 1.135 387 R CA 1.170 57.268 56.100 -0.003 0.000 0.934 387 R CB -0.575 29.728 30.300 0.005 0.000 0.846 387 R HN 0.147 nan 8.270 nan 0.000 0.431 388 L N -0.118 121.104 121.223 -0.002 0.000 2.081 388 L HA -0.243 4.096 4.340 -0.000 0.000 0.212 388 L C 2.440 179.314 176.870 0.006 0.000 1.080 388 L CA 1.915 56.759 54.840 0.008 0.000 0.754 388 L CB -0.597 41.469 42.059 0.010 0.000 0.893 388 L HN 0.388 nan 8.230 nan 0.000 0.433 389 T N -1.634 112.916 114.554 -0.007 0.000 2.788 389 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 389 T C 1.799 176.499 174.700 0.000 0.000 1.044 389 T CA 1.261 63.360 62.100 -0.002 0.000 1.139 389 T CB -0.128 68.730 68.868 -0.016 0.000 0.867 389 T HN 0.212 nan 8.240 nan 0.000 0.454 390 Q N 1.128 120.926 119.800 -0.004 0.000 2.050 390 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 390 Q C 2.107 178.105 176.000 -0.003 0.000 0.980 390 Q CA 1.488 57.289 55.803 -0.004 0.000 0.840 390 Q CB -0.749 27.985 28.738 -0.006 0.000 0.898 390 Q HN 0.523 nan 8.270 nan 0.000 0.424 391 L N -0.744 120.478 121.223 -0.001 0.000 2.046 391 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 391 L C 2.308 179.178 176.870 -0.000 0.000 1.077 391 L CA 0.970 55.810 54.840 -0.000 0.000 0.747 391 L CB -0.605 41.457 42.059 0.004 0.000 0.896 391 L HN 0.092 nan 8.230 nan 0.000 0.432 392 V N -0.378 119.538 119.914 0.003 0.000 2.295 392 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 392 V C 2.695 178.787 176.094 -0.004 0.000 1.049 392 V CA 1.581 63.882 62.300 0.002 0.000 1.024 392 V CB -0.680 31.158 31.823 0.024 0.000 0.648 392 V HN 0.410 nan 8.190 nan 0.000 0.447 393 R N 0.239 120.739 120.500 0.001 0.000 2.083 393 R HA -0.157 4.182 4.340 -0.000 0.000 0.237 393 R C 2.223 178.519 176.300 -0.007 0.000 1.137 393 R CA 1.392 57.491 56.100 -0.002 0.000 0.951 393 R CB -1.095 29.205 30.300 -0.001 0.000 0.851 393 R HN 0.512 nan 8.270 nan 0.000 0.434 394 N N 0.743 119.439 118.700 -0.005 0.000 2.242 394 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 394 N C 0.864 176.373 175.510 -0.002 0.000 1.005 394 N CA 1.550 54.597 53.050 -0.004 0.000 0.877 394 N CB -0.041 38.444 38.487 -0.003 0.000 0.983 394 N HN 0.407 nan 8.380 nan 0.000 0.439 395 G N -0.464 108.330 108.800 -0.010 0.000 2.757 395 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.638 395 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.638 395 G C -2.324 172.579 174.900 0.004 0.000 1.344 395 G CA -0.034 45.052 45.100 -0.024 0.000 0.855 395 G HN 0.183 nan 8.290 nan 0.000 0.537 396 P HA 0.172 nan 4.420 nan 0.000 0.267 396 P C 0.541 177.916 177.300 0.125 0.000 1.289 396 P CA 0.287 63.409 63.100 0.036 0.000 0.866 396 P CB 0.361 31.986 31.700 -0.125 0.000 1.309 397 N N -0.256 118.475 118.700 0.053 0.000 2.332 397 N HA 0.082 4.822 4.740 -0.000 0.000 0.190 397 N C 0.676 176.190 175.510 0.006 0.000 1.117 397 N CA 0.190 53.253 53.050 0.021 0.000 0.883 397 N CB 0.644 39.120 38.487 -0.018 0.000 1.089 397 N HN 0.298 nan 8.380 nan 0.000 0.480 398 E N 0.144 120.352 120.200 0.013 0.000 2.369 398 E HA 0.017 4.367 4.350 -0.000 0.000 0.255 398 E C 0.478 177.063 176.600 -0.024 0.000 1.172 398 E CA -0.243 56.155 56.400 -0.003 0.000 0.932 398 E CB 1.203 30.902 29.700 -0.003 0.000 1.040 398 E HN 0.188 nan 8.360 nan 0.000 0.454 399 H N 1.554 120.552 119.070 -0.120 0.000 2.663 399 H HA 0.073 4.628 4.556 -0.000 0.000 0.319 399 H C -1.801 173.447 175.328 -0.133 0.000 1.063 399 H CA 0.222 56.141 56.048 -0.216 0.000 1.393 399 H CB -1.096 28.563 29.762 -0.171 0.000 1.550 399 H HN 0.257 nan 8.280 nan 0.000 0.689 400 P HA 0.032 nan 4.420 nan 0.000 0.170 400 P C -0.567 176.626 177.300 -0.178 0.000 0.837 400 P CA 1.464 64.264 63.100 -0.499 0.000 1.279 400 P CB -0.511 31.070 31.700 -0.199 0.000 1.424 401 G N 0.798 109.603 108.800 0.009 0.000 2.731 401 G HA2 0.795 4.755 3.960 -0.000 0.000 0.309 401 G HA3 0.795 4.755 3.960 -0.000 0.000 0.309 401 G C -1.852 173.138 174.900 0.149 0.000 1.273 401 G CA -0.100 45.100 45.100 0.166 0.000 0.798 401 G HN 0.437 nan 8.290 nan 0.000 0.509 402 A N -0.952 121.819 122.820 -0.082 0.000 2.593 402 A HA 0.811 5.131 4.320 -0.000 0.000 0.290 402 A C -0.278 177.125 177.584 -0.302 0.000 1.126 402 A CA 0.045 51.916 52.037 -0.278 0.000 0.695 402 A CB 1.580 20.524 19.000 -0.094 0.000 1.290 402 A HN 1.228 nan 8.150 nan 0.000 0.414 403 K N -0.519 119.709 120.400 -0.287 0.000 2.644 403 K HA 0.511 4.831 4.320 -0.000 0.000 0.198 403 K C -1.475 174.844 176.600 -0.469 0.000 1.113 403 K CA -0.085 56.001 56.287 -0.336 0.000 1.073 403 K CB 0.465 32.751 32.500 -0.357 0.000 0.811 403 K HN 0.547 nan 8.250 nan 0.000 0.508 404 Y N -0.203 120.060 120.300 -0.063 0.000 2.409 404 Y HA 0.252 4.802 4.550 -0.000 0.000 0.321 404 Y C -1.390 174.488 175.900 -0.037 0.000 1.209 404 Y CA -1.118 56.958 58.100 -0.041 0.000 1.086 404 Y CB 2.334 40.777 38.460 -0.028 0.000 1.320 404 Y HN -0.198 nan 8.280 nan 0.000 0.440 405 V N 5.512 125.514 119.914 0.146 0.000 2.540 405 V HA 0.565 4.685 4.120 -0.000 0.000 0.302 405 V C -0.610 175.439 176.094 -0.074 0.000 1.035 405 V CA -0.666 61.661 62.300 0.045 0.000 0.873 405 V CB 1.876 33.731 31.823 0.053 0.000 0.992 405 V HN 0.503 nan 8.190 nan 0.000 0.428 406 I N 5.059 125.530 120.570 -0.165 0.000 2.439 406 I HA 0.560 4.730 4.170 -0.000 0.000 0.285 406 I C -0.082 175.696 176.117 -0.566 0.000 1.021 406 I CA -0.720 60.408 61.300 -0.287 0.000 1.091 406 I CB 1.703 39.597 38.000 -0.176 0.000 1.242 406 I HN 0.494 nan 8.210 nan 0.000 0.439 407 R N 2.580 122.561 120.500 -0.866 0.000 2.528 407 R HA 0.240 4.579 4.340 -0.000 0.000 0.271 407 R C 0.811 176.796 176.300 -0.525 0.000 1.056 407 R CA -0.585 54.691 56.100 -1.373 0.000 1.117 407 R CB 0.512 30.006 30.300 -1.344 0.000 1.085 407 R HN 0.663 nan 8.270 nan 0.000 0.530 408 D N 0.166 120.429 120.400 -0.229 0.000 2.157 408 D HA -0.242 4.398 4.640 -0.000 0.000 0.191 408 D C 0.210 176.472 176.300 -0.062 0.000 1.004 408 D CA 1.695 55.686 54.000 -0.014 0.000 0.854 408 D CB -0.496 40.381 40.800 0.128 0.000 0.936 408 D HN 0.451 nan 8.370 nan 0.000 0.446 409 S N 0.300 115.957 115.700 -0.072 0.000 3.716 409 S HA 0.325 4.795 4.470 -0.000 0.000 0.254 409 S C 1.084 175.626 174.600 -0.097 0.000 1.209 409 S CA -0.389 57.774 58.200 -0.062 0.000 1.026 409 S CB -0.737 62.441 63.200 -0.037 0.000 1.625 409 S HN 0.507 nan 8.310 nan 0.000 0.500 410 G N 1.966 110.716 108.800 -0.084 0.000 2.904 410 G HA2 0.138 4.098 3.960 -0.000 0.000 0.316 410 G HA3 0.138 4.098 3.960 -0.000 0.000 0.316 410 G C -0.209 174.639 174.900 -0.086 0.000 0.294 410 G CA 0.540 45.589 45.100 -0.084 0.000 1.212 410 G HN 0.961 nan 8.290 nan 0.000 0.207 411 D N 0.677 121.006 120.400 -0.118 0.000 2.625 411 D HA 0.198 4.838 4.640 -0.000 0.000 0.203 411 D C -0.090 176.134 176.300 -0.126 0.000 1.230 411 D CA -0.729 53.211 54.000 -0.101 0.000 0.784 411 D CB 0.639 41.387 40.800 -0.087 0.000 1.936 411 D HN 0.684 nan 8.370 nan 0.000 0.522 412 R N 3.602 124.049 120.500 -0.089 0.000 2.294 412 R HA 0.639 4.979 4.340 -0.000 0.000 0.319 412 R C -0.338 175.993 176.300 0.050 0.000 0.984 412 R CA -0.843 55.224 56.100 -0.056 0.000 0.861 412 R CB 1.036 31.264 30.300 -0.121 0.000 1.104 412 R HN 0.337 nan 8.270 nan 0.000 0.451 413 I N 3.116 123.719 120.570 0.054 0.000 2.379 413 I HA -0.019 4.150 4.170 -0.000 0.000 0.290 413 I C 0.197 176.415 176.117 0.170 0.000 1.063 413 I CA -0.076 61.271 61.300 0.078 0.000 1.351 413 I CB 0.846 38.856 38.000 0.016 0.000 1.410 413 I HN 0.631 nan 8.210 nan 0.000 0.505 414 D N 7.774 128.269 120.400 0.158 0.000 2.453 414 D HA 0.089 4.729 4.640 -0.000 0.000 0.223 414 D C 1.177 177.399 176.300 -0.130 0.000 1.183 414 D CA -0.100 53.912 54.000 0.020 0.000 0.933 414 D CB 0.813 41.737 40.800 0.206 0.000 1.038 414 D HN 0.496 nan 8.370 nan 0.000 0.513 415 L N 3.293 124.369 121.223 -0.245 0.000 2.563 415 L HA -0.185 4.155 4.340 -0.000 0.000 0.230 415 L C 2.074 178.792 176.870 -0.254 0.000 1.162 415 L CA 0.946 55.666 54.840 -0.200 0.000 0.812 415 L CB -0.299 41.643 42.059 -0.195 0.000 0.935 415 L HN 0.395 nan 8.230 nan 0.000 0.451 416 R N -2.430 117.824 120.500 -0.410 0.000 2.507 416 R HA 0.070 4.409 4.340 -0.000 0.000 0.298 416 R C 0.414 176.221 176.300 -0.821 0.000 0.999 416 R CA 0.068 55.810 56.100 -0.595 0.000 1.082 416 R CB 0.232 30.084 30.300 -0.746 0.000 1.246 416 R HN 0.270 nan 8.270 nan 0.000 0.553 417 Y N -1.120 119.149 120.300 -0.052 0.000 2.840 417 Y HA 0.166 4.716 4.550 -0.000 0.000 0.252 417 Y C 0.639 176.529 175.900 -0.017 0.000 1.150 417 Y CA -0.552 57.532 58.100 -0.028 0.000 1.193 417 Y CB 0.268 38.716 38.460 -0.020 0.000 1.386 417 Y HN 0.019 nan 8.280 nan 0.000 0.483 418 S N 3.568 119.356 115.700 0.147 0.000 3.074 418 S HA -0.127 4.343 4.470 -0.000 0.000 0.359 418 S C 1.213 175.851 174.600 0.063 0.000 1.207 418 S CA 0.377 58.630 58.200 0.088 0.000 1.061 418 S CB 0.131 63.365 63.200 0.057 0.000 0.769 418 S HN 0.486 nan 8.310 nan 0.000 0.512 419 K N 4.454 124.890 120.400 0.060 0.000 2.589 419 K HA -0.100 4.220 4.320 -0.000 0.000 0.195 419 K C 0.886 177.508 176.600 0.036 0.000 1.042 419 K CA 1.303 57.618 56.287 0.045 0.000 0.940 419 K CB -0.111 32.413 32.500 0.039 0.000 0.776 419 K HN 0.621 nan 8.250 nan 0.000 0.487 420 R N -0.205 120.318 120.500 0.038 0.000 2.613 420 R HA 0.266 4.606 4.340 -0.000 0.000 0.361 420 R C 1.294 177.614 176.300 0.033 0.000 1.072 420 R CA 0.248 56.370 56.100 0.037 0.000 1.089 420 R CB 0.783 31.112 30.300 0.049 0.000 1.343 420 R HN 0.205 nan 8.270 nan 0.000 0.571 421 A N 0.933 123.764 122.820 0.019 0.000 1.908 421 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 421 A C 2.186 179.774 177.584 0.007 0.000 1.181 421 A CA 1.908 53.947 52.037 0.004 0.000 0.627 421 A CB -0.734 18.250 19.000 -0.028 0.000 0.818 421 A HN 0.443 nan 8.150 nan 0.000 0.445 422 G N -1.002 107.802 108.800 0.006 0.000 2.471 422 G HA2 -0.079 3.880 3.960 -0.000 0.000 0.219 422 G HA3 -0.079 3.880 3.960 -0.000 0.000 0.219 422 G C 0.991 175.900 174.900 0.015 0.000 1.125 422 G CA 1.024 46.128 45.100 0.007 0.000 0.775 422 G HN 0.497 nan 8.290 nan 0.000 0.548 423 D N -0.271 120.144 120.400 0.025 0.000 2.231 423 D HA 0.266 4.906 4.640 -0.000 0.000 0.287 423 D C 0.884 177.213 176.300 0.048 0.000 1.160 423 D CA -0.461 53.559 54.000 0.033 0.000 1.089 423 D CB 0.155 40.978 40.800 0.039 0.000 1.158 423 D HN 0.060 nan 8.370 nan 0.000 0.494 424 I N 0.194 120.807 120.570 0.071 0.000 8.263 424 I HA -0.222 3.948 4.170 -0.000 0.000 0.126 424 I C -1.140 175.024 176.117 0.079 0.000 1.853 424 I CA -0.034 61.334 61.300 0.114 0.000 2.038 424 I CB -0.343 37.736 38.000 0.131 0.000 3.798 424 I HN 0.314 nan 8.210 nan 0.000 0.169 425 Q N 7.270 127.105 119.800 0.058 0.000 2.381 425 Q HA 0.598 4.938 4.340 -0.000 0.000 0.263 425 Q C 0.020 175.936 176.000 -0.140 0.000 1.030 425 Q CA -0.734 55.049 55.803 -0.032 0.000 0.772 425 Q CB 1.670 30.375 28.738 -0.054 0.000 1.232 425 Q HN 0.527 nan 8.270 nan 0.000 0.476 426 L N 1.321 122.473 121.223 -0.118 0.000 2.428 426 L HA -0.008 4.331 4.340 -0.000 0.000 0.266 426 L C 0.593 177.075 176.870 -0.647 0.000 1.269 426 L CA 0.614 55.311 54.840 -0.238 0.000 0.821 426 L CB 0.183 42.193 42.059 -0.082 0.000 1.095 426 L HN 0.475 nan 8.230 nan 0.000 0.559 427 Q N -0.172 119.088 119.800 -0.899 0.000 2.268 427 Q HA 0.280 4.620 4.340 -0.000 0.000 0.266 427 Q C -1.457 174.305 176.000 -0.397 0.000 1.006 427 Q CA -0.737 54.531 55.803 -0.893 0.000 0.824 427 Q CB 2.052 29.668 28.738 -1.871 0.000 1.306 427 Q HN 0.269 nan 8.270 nan 0.000 0.424 428 Y N 0.405 120.527 120.300 -0.297 0.000 2.890 428 Y HA 0.036 4.586 4.550 -0.000 0.000 0.341 428 Y C 1.749 177.611 175.900 -0.064 0.000 1.269 428 Y CA 2.412 60.424 58.100 -0.146 0.000 1.517 428 Y CB 0.164 38.546 38.460 -0.131 0.000 1.314 428 Y HN 0.991 nan 8.280 nan 0.000 0.622 429 G N -0.126 108.774 108.800 0.166 0.000 2.179 429 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 429 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 429 G C -0.098 174.992 174.900 0.316 0.000 0.977 429 G CA -0.125 45.088 45.100 0.188 0.000 0.641 429 G HN 0.524 nan 8.290 nan 0.000 0.533 430 W N 0.464 121.773 121.300 0.016 0.000 2.213 430 W HA 0.764 5.424 4.660 -0.000 0.000 0.356 430 W C 0.615 177.129 176.519 -0.009 0.000 1.273 430 W CA -1.049 56.299 57.345 0.004 0.000 1.391 430 W CB 0.779 30.243 29.460 0.006 0.000 1.187 430 W HN 0.018 nan 8.180 nan 0.000 0.649 431 K N 0.894 121.392 120.400 0.163 0.000 2.376 431 K HA 0.544 4.864 4.320 -0.000 0.000 0.257 431 K C -1.554 175.085 176.600 0.065 0.000 0.939 431 K CA -0.569 55.761 56.287 0.071 0.000 0.809 431 K CB 1.624 34.118 32.500 -0.009 0.000 1.121 431 K HN 0.162 nan 8.250 nan 0.000 0.425 432 V N 4.169 124.129 119.914 0.076 0.000 2.357 432 V HA 0.188 4.307 4.120 -0.000 0.000 0.284 432 V C -0.379 175.754 176.094 0.066 0.000 1.018 432 V CA -0.737 61.611 62.300 0.079 0.000 0.841 432 V CB 1.430 33.304 31.823 0.085 0.000 0.991 432 V HN 0.743 nan 8.190 nan 0.000 0.437 433 E N 5.793 126.042 120.200 0.082 0.000 2.003 433 E HA 0.232 4.582 4.350 -0.000 0.000 0.279 433 E C 0.087 176.727 176.600 0.066 0.000 1.132 433 E CA -0.262 56.195 56.400 0.095 0.000 0.888 433 E CB 0.812 30.616 29.700 0.174 0.000 1.056 433 E HN 0.676 nan 8.360 nan 0.000 0.399 434 R N 2.000 122.546 120.500 0.076 0.000 2.700 434 R HA 0.389 4.729 4.340 -0.000 0.000 0.253 434 R C 0.202 176.525 176.300 0.038 0.000 1.091 434 R CA -0.775 55.333 56.100 0.014 0.000 1.104 434 R CB 0.799 31.140 30.300 0.069 0.000 1.202 434 R HN 0.352 nan 8.270 nan 0.000 0.532 435 H N 0.332 119.452 119.070 0.083 0.000 2.679 435 H HA 0.110 4.666 4.556 -0.000 0.000 0.369 435 H C 0.440 175.846 175.328 0.129 0.000 1.178 435 H CA -0.210 55.902 56.048 0.107 0.000 1.419 435 H CB 0.668 30.462 29.762 0.053 0.000 1.458 435 H HN 0.307 nan 8.280 nan 0.000 0.605 436 I N 3.216 123.978 120.570 0.320 0.000 2.668 436 I HA -0.079 4.090 4.170 -0.000 0.000 0.285 436 I C 0.917 177.162 176.117 0.213 0.000 1.168 436 I CA 0.839 62.271 61.300 0.220 0.000 1.424 436 I CB -0.459 37.659 38.000 0.198 0.000 1.377 436 I HN 0.353 nan 8.210 nan 0.000 0.560 437 M N 4.032 123.707 119.600 0.124 0.000 2.724 437 M HA 0.348 4.828 4.480 -0.000 0.000 0.310 437 M C -0.220 176.122 176.300 0.071 0.000 1.217 437 M CA -1.131 54.241 55.300 0.120 0.000 0.894 437 M CB 1.356 33.990 32.600 0.057 0.000 1.719 437 M HN 0.335 nan 8.290 nan 0.000 0.479 438 D N 2.372 122.815 120.400 0.071 0.000 2.583 438 D HA -0.029 4.611 4.640 -0.000 0.000 0.232 438 D C 0.283 176.588 176.300 0.007 0.000 1.128 438 D CA 1.162 55.182 54.000 0.032 0.000 0.859 438 D CB 0.189 41.006 40.800 0.029 0.000 1.169 438 D HN 0.602 nan 8.370 nan 0.000 0.481 439 N N 0.658 119.356 118.700 -0.003 0.000 2.984 439 N HA -0.155 4.585 4.740 -0.000 0.000 0.227 439 N C -0.879 174.612 175.510 -0.032 0.000 0.903 439 N CA 0.529 53.570 53.050 -0.015 0.000 0.995 439 N CB -0.898 37.578 38.487 -0.017 0.000 1.065 439 N HN 0.465 nan 8.380 nan 0.000 0.585 440 D N 2.542 122.920 120.400 -0.038 0.000 2.417 440 D HA 0.150 4.789 4.640 -0.000 0.000 0.250 440 D C -1.915 174.364 176.300 -0.035 0.000 1.166 440 D CA -0.547 53.410 54.000 -0.073 0.000 0.881 440 D CB 0.529 41.287 40.800 -0.070 0.000 1.164 440 D HN 0.219 nan 8.370 nan 0.000 0.467 441 P HA 0.050 nan 4.420 nan 0.000 0.276 441 P C -0.541 176.779 177.300 0.033 0.000 1.230 441 P CA -0.355 62.747 63.100 0.002 0.000 0.776 441 P CB 0.988 32.686 31.700 -0.003 0.000 0.888 442 V N 1.495 121.445 119.914 0.061 0.000 3.078 442 V HA 0.471 4.590 4.120 -0.000 0.000 0.311 442 V C -0.591 175.593 176.094 0.149 0.000 1.138 442 V CA -1.285 61.069 62.300 0.091 0.000 1.007 442 V CB 2.407 34.262 31.823 0.053 0.000 1.045 442 V HN 0.379 nan 8.190 nan 0.000 0.432 443 L N 3.261 124.594 121.223 0.184 0.000 2.265 443 L HA 0.526 4.865 4.340 -0.000 0.000 0.288 443 L C -1.202 175.867 176.870 0.330 0.000 1.058 443 L CA -0.227 54.752 54.840 0.231 0.000 0.809 443 L CB 1.105 43.265 42.059 0.168 0.000 1.179 443 L HN 0.824 nan 8.230 nan 0.000 0.429 444 F N 6.456 126.500 119.950 0.156 0.000 2.469 444 F HA 0.502 5.029 4.527 -0.000 0.000 0.332 444 F C -0.220 175.652 175.800 0.119 0.000 1.103 444 F CA -0.987 57.018 58.000 0.009 0.000 0.979 444 F CB 1.373 40.272 39.000 -0.168 0.000 1.137 444 F HN 0.535 nan 8.300 nan 0.000 0.463 445 N N 4.891 123.408 118.700 -0.306 0.000 2.504 445 N HA 0.315 5.055 4.740 -0.000 0.000 0.268 445 N C -2.147 173.177 175.510 -0.309 0.000 1.184 445 N CA -0.658 52.290 53.050 -0.170 0.000 0.875 445 N CB 2.465 40.987 38.487 0.058 0.000 1.630 445 N HN 0.862 nan 8.380 nan 0.000 0.486 446 R N 2.236 122.656 120.500 -0.134 0.000 2.534 446 R HA 0.338 4.678 4.340 -0.000 0.000 0.301 446 R C -0.927 175.363 176.300 -0.016 0.000 0.961 446 R CA -0.343 55.688 56.100 -0.116 0.000 0.871 446 R CB 1.512 31.735 30.300 -0.128 0.000 1.170 446 R HN 0.602 nan 8.270 nan 0.000 0.446 447 Q N 3.839 123.625 119.800 -0.023 0.000 2.214 447 Q HA 0.385 4.725 4.340 -0.000 0.000 0.251 447 Q C -2.026 173.961 176.000 -0.021 0.000 0.936 447 Q CA -1.987 53.809 55.803 -0.012 0.000 0.894 447 Q CB 1.287 30.024 28.738 -0.002 0.000 1.252 447 Q HN 0.510 nan 8.270 nan 0.000 0.448 448 P HA 0.008 nan 4.420 nan 0.000 0.268 448 P C -0.964 176.313 177.300 -0.039 0.000 1.204 448 P CA -0.061 63.022 63.100 -0.030 0.000 0.768 448 P CB 0.749 32.426 31.700 -0.038 0.000 0.842 449 S N 2.821 118.505 115.700 -0.027 0.000 2.835 449 S HA 0.205 4.675 4.470 -0.000 0.000 0.286 449 S C 0.857 175.432 174.600 -0.042 0.000 1.194 449 S CA -0.505 57.680 58.200 -0.024 0.000 1.031 449 S CB -0.406 62.791 63.200 -0.004 0.000 1.216 449 S HN 0.358 nan 8.310 nan 0.000 0.502 450 L N 0.125 121.296 121.223 -0.087 0.000 2.857 450 L HA 0.527 4.867 4.340 -0.000 0.000 0.249 450 L C 0.261 177.100 176.870 -0.051 0.000 1.172 450 L CA 0.004 54.786 54.840 -0.097 0.000 0.980 450 L CB -0.876 41.098 42.059 -0.142 0.000 1.299 450 L HN 0.487 nan 8.230 nan 0.000 0.535 451 H N -0.492 118.527 119.070 -0.086 0.000 2.797 451 H HA 0.389 4.945 4.556 -0.000 0.000 0.372 451 H C 0.145 175.408 175.328 -0.109 0.000 1.168 451 H CA -0.880 55.102 56.048 -0.110 0.000 1.163 451 H CB 2.166 31.851 29.762 -0.128 0.000 1.778 451 H HN -0.071 nan 8.280 nan 0.000 0.551 452 K N 1.280 121.668 120.400 -0.020 0.000 2.097 452 K HA -0.089 4.230 4.320 -0.000 0.000 0.205 452 K C 1.404 177.957 176.600 -0.079 0.000 1.050 452 K CA 1.426 57.672 56.287 -0.069 0.000 0.938 452 K CB 0.057 32.488 32.500 -0.114 0.000 0.718 452 K HN 0.424 nan 8.250 nan 0.000 0.442 453 M N 0.910 120.430 119.600 -0.133 0.000 2.549 453 M HA -0.048 4.431 4.480 -0.000 0.000 0.260 453 M C 1.627 177.809 176.300 -0.198 0.000 1.076 453 M CA 1.119 56.297 55.300 -0.204 0.000 1.090 453 M CB -0.030 32.371 32.600 -0.332 0.000 1.418 453 M HN -0.094 nan 8.290 nan 0.000 0.486 454 S N -0.225 115.459 115.700 -0.027 0.000 2.607 454 S HA 0.205 4.675 4.470 -0.000 0.000 0.224 454 S C 0.575 175.238 174.600 0.105 0.000 0.969 454 S CA 0.628 58.828 58.200 0.001 0.000 0.927 454 S CB -0.121 63.101 63.200 0.038 0.000 0.772 454 S HN 0.402 nan 8.310 nan 0.000 0.533 455 M N 1.382 121.015 119.600 0.054 0.000 2.090 455 M HA 0.446 4.926 4.480 -0.000 0.000 0.277 455 M C -1.234 175.123 176.300 0.094 0.000 0.935 455 M CA 0.213 55.590 55.300 0.127 0.000 0.966 455 M CB 1.788 34.419 32.600 0.051 0.000 1.635 455 M HN 0.066 nan 8.290 nan 0.000 0.446 456 M N 1.561 121.293 119.600 0.220 0.000 2.619 456 M HA 0.765 5.245 4.480 -0.000 0.000 0.297 456 M C -0.411 176.006 176.300 0.196 0.000 1.229 456 M CA -0.819 54.548 55.300 0.111 0.000 0.860 456 M CB 2.586 35.179 32.600 -0.011 0.000 1.741 456 M HN 0.687 nan 8.290 nan 0.000 0.462 457 A N 1.192 124.033 122.820 0.034 0.000 2.327 457 A HA 0.641 4.961 4.320 -0.000 0.000 0.283 457 A C -0.919 176.626 177.584 -0.064 0.000 1.127 457 A CA -0.228 51.843 52.037 0.057 0.000 0.810 457 A CB 0.294 19.299 19.000 0.010 0.000 1.066 457 A HN 0.863 nan 8.150 nan 0.000 0.492 458 H N 0.666 119.754 119.070 0.030 0.000 2.907 458 H HA 0.403 4.958 4.556 -0.000 0.000 0.361 458 H C -0.640 174.662 175.328 -0.044 0.000 1.194 458 H CA -0.766 55.272 56.048 -0.016 0.000 1.152 458 H CB 1.691 31.405 29.762 -0.080 0.000 1.867 458 H HN 0.711 nan 8.280 nan 0.000 0.561 459 R N 0.820 121.372 120.500 0.086 0.000 2.349 459 R HA 0.327 4.667 4.340 -0.000 0.000 0.299 459 R C -0.520 175.780 176.300 0.000 0.000 1.027 459 R CA -0.591 55.525 56.100 0.025 0.000 0.958 459 R CB 1.182 31.490 30.300 0.014 0.000 1.047 459 R HN 0.203 nan 8.270 nan 0.000 0.468 460 V N 3.768 123.674 119.914 -0.014 0.000 2.775 460 V HA 0.171 4.291 4.120 -0.000 0.000 0.299 460 V C 0.276 176.358 176.094 -0.020 0.000 1.062 460 V CA 0.066 62.347 62.300 -0.032 0.000 1.063 460 V CB 1.289 33.107 31.823 -0.009 0.000 0.994 460 V HN 0.526 nan 8.190 nan 0.000 0.483 461 K N 3.513 123.894 120.400 -0.032 0.000 2.690 461 K HA 0.369 4.689 4.320 -0.000 0.000 0.243 461 K C -1.231 175.351 176.600 -0.030 0.000 0.982 461 K CA -0.434 55.840 56.287 -0.021 0.000 0.955 461 K CB 1.662 34.149 32.500 -0.022 0.000 1.185 461 K HN 0.440 nan 8.250 nan 0.000 0.467 462 V N 6.122 126.017 119.914 -0.032 0.000 2.572 462 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 462 V C 0.853 176.894 176.094 -0.089 0.000 1.039 462 V CA -0.242 62.004 62.300 -0.089 0.000 1.055 462 V CB 0.278 31.988 31.823 -0.188 0.000 0.969 462 V HN 0.635 nan 8.190 nan 0.000 0.482 463 I N 2.975 123.491 120.570 -0.090 0.000 3.191 463 I HA 0.751 4.920 4.170 -0.000 0.000 0.313 463 I C -2.768 173.298 176.117 -0.085 0.000 1.193 463 I CA -2.578 58.686 61.300 -0.059 0.000 0.968 463 I CB 2.545 40.541 38.000 -0.006 0.000 1.262 463 I HN 0.364 nan 8.210 nan 0.000 0.456 464 P HA 0.277 nan 4.420 nan 0.000 0.279 464 P C -1.278 175.944 177.300 -0.131 0.000 1.282 464 P CA 0.259 63.226 63.100 -0.221 0.000 0.788 464 P CB 0.297 31.791 31.700 -0.344 0.000 1.139 465 Y N -3.139 117.111 120.300 -0.083 0.000 2.508 465 Y HA -0.209 4.340 4.550 -0.000 0.000 0.021 465 Y C 1.235 177.069 175.900 -0.110 0.000 1.704 465 Y CA 0.547 58.595 58.100 -0.087 0.000 1.418 465 Y CB -2.061 36.352 38.460 -0.079 0.000 2.063 465 Y HN 0.257 nan 8.280 nan 0.000 0.254 466 S N -0.286 115.439 115.700 0.042 0.000 2.763 466 S HA 0.203 4.672 4.470 -0.000 0.000 0.237 466 S C 0.179 174.697 174.600 -0.137 0.000 0.966 466 S CA 0.303 58.459 58.200 -0.073 0.000 1.017 466 S CB -0.452 62.704 63.200 -0.073 0.000 0.780 466 S HN 0.663 nan 8.310 nan 0.000 0.476 467 T N -0.994 113.499 114.554 -0.102 0.000 2.908 467 T HA 0.648 4.998 4.350 -0.000 0.000 0.290 467 T C -0.407 174.224 174.700 -0.114 0.000 1.034 467 T CA -0.822 61.192 62.100 -0.144 0.000 1.010 467 T CB 0.758 69.578 68.868 -0.079 0.000 1.068 467 T HN 0.126 nan 8.240 nan 0.000 0.481 468 F N 1.687 121.622 119.950 -0.023 0.000 2.472 468 F HA 0.356 4.883 4.527 -0.000 0.000 0.364 468 F C 1.498 177.247 175.800 -0.085 0.000 1.090 468 F CA -0.907 57.060 58.000 -0.055 0.000 1.188 468 F CB 0.799 39.837 39.000 0.065 0.000 1.105 468 F HN 0.223 nan 8.300 nan 0.000 0.536 469 R N 5.061 125.599 120.500 0.064 0.000 2.346 469 R HA 0.602 4.942 4.340 -0.000 0.000 0.311 469 R C -1.174 175.087 176.300 -0.065 0.000 0.983 469 R CA -0.961 55.114 56.100 -0.041 0.000 0.880 469 R CB 1.597 31.863 30.300 -0.056 0.000 1.100 469 R HN 0.538 nan 8.270 nan 0.000 0.453 470 L N -0.228 120.977 121.223 -0.029 0.000 2.409 470 L HA 0.532 4.872 4.340 -0.000 0.000 0.262 470 L C -0.412 176.519 176.870 0.101 0.000 0.992 470 L CA -1.084 53.779 54.840 0.038 0.000 0.817 470 L CB 1.395 43.549 42.059 0.158 0.000 1.350 470 L HN 0.325 nan 8.230 nan 0.000 0.411 471 N N 1.292 120.065 118.700 0.123 0.000 2.492 471 N HA 0.152 4.892 4.740 -0.000 0.000 0.260 471 N C 0.736 176.355 175.510 0.181 0.000 1.215 471 N CA 0.188 53.314 53.050 0.127 0.000 0.923 471 N CB 1.020 39.568 38.487 0.101 0.000 1.092 471 N HN 0.900 nan 8.380 nan 0.000 0.448 472 L N 2.173 123.502 121.223 0.177 0.000 2.017 472 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 472 L C 2.313 179.269 176.870 0.143 0.000 1.073 472 L CA 1.066 56.027 54.840 0.202 0.000 0.745 472 L CB -0.453 41.715 42.059 0.182 0.000 0.894 472 L HN 0.530 nan 8.230 nan 0.000 0.432 473 S N -0.974 114.790 115.700 0.106 0.000 2.440 473 S HA -0.157 4.312 4.470 -0.000 0.000 0.238 473 S C 1.719 176.306 174.600 -0.022 0.000 1.010 473 S CA 1.007 59.239 58.200 0.054 0.000 0.972 473 S CB -0.201 63.019 63.200 0.033 0.000 0.774 473 S HN 0.249 nan 8.310 nan 0.000 0.501 474 V N 1.347 121.280 119.914 0.031 0.000 3.573 474 V HA -0.036 4.084 4.120 -0.000 0.000 0.270 474 V C 1.864 178.097 176.094 0.231 0.000 1.221 474 V CA 0.962 63.323 62.300 0.101 0.000 1.163 474 V CB -0.829 31.150 31.823 0.260 0.000 0.847 474 V HN 0.470 nan 8.190 nan 0.000 0.468 475 T N 0.897 115.559 114.554 0.180 0.000 2.555 475 T HA -0.220 4.130 4.350 -0.000 0.000 0.264 475 T C 2.079 176.845 174.700 0.110 0.000 1.083 475 T CA 2.319 64.510 62.100 0.151 0.000 1.179 475 T CB -0.364 68.529 68.868 0.042 0.000 0.863 475 T HN 0.761 nan 8.240 nan 0.000 0.412 476 S N 2.597 118.323 115.700 0.045 0.000 2.401 476 S HA -0.185 4.285 4.470 -0.000 0.000 0.236 476 S C -0.409 174.201 174.600 0.017 0.000 1.058 476 S CA 1.854 60.066 58.200 0.021 0.000 1.151 476 S CB -2.185 61.024 63.200 0.014 0.000 1.049 476 S HN 0.373 nan 8.310 nan 0.000 0.432 477 P HA -0.195 nan 4.420 nan 0.000 0.222 477 P C 1.070 178.304 177.300 -0.110 0.000 1.159 477 P CA 1.799 64.831 63.100 -0.115 0.000 0.920 477 P CB -0.260 31.250 31.700 -0.317 0.000 0.793 478 Y N -2.738 117.575 120.300 0.021 0.000 2.337 478 Y HA 0.038 4.588 4.550 -0.000 0.000 0.293 478 Y C 1.094 176.959 175.900 -0.058 0.000 1.123 478 Y CA 0.710 58.793 58.100 -0.028 0.000 1.201 478 Y CB -0.465 37.956 38.460 -0.066 0.000 1.011 478 Y HN 0.003 nan 8.280 nan 0.000 0.545 479 N N 0.009 118.771 118.700 0.103 0.000 2.846 479 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 479 N C -1.073 174.427 175.510 -0.016 0.000 1.090 479 N CA 0.098 53.155 53.050 0.011 0.000 0.674 479 N CB -1.030 37.439 38.487 -0.029 0.000 0.938 479 N HN 0.294 nan 8.380 nan 0.000 0.559 480 A N 1.026 123.825 122.820 -0.035 0.000 2.380 480 A HA 0.760 5.080 4.320 -0.000 0.000 0.315 480 A C -0.661 176.741 177.584 -0.304 0.000 1.101 480 A CA -0.601 51.364 52.037 -0.120 0.000 0.771 480 A CB 1.292 20.242 19.000 -0.083 0.000 1.287 480 A HN 0.436 nan 8.150 nan 0.000 0.436 481 D N -0.438 119.756 120.400 -0.344 0.000 2.654 481 D HA 0.485 5.125 4.640 -0.000 0.000 0.255 481 D C -0.605 175.369 176.300 -0.543 0.000 1.101 481 D CA -0.241 53.444 54.000 -0.525 0.000 1.116 481 D CB 0.551 41.208 40.800 -0.237 0.000 1.348 481 D HN 0.397 nan 8.370 nan 0.000 0.609 482 F N 0.061 120.015 119.950 0.007 0.000 2.708 482 F HA 0.081 4.608 4.527 -0.000 0.000 0.300 482 F C 0.946 176.744 175.800 -0.002 0.000 1.118 482 F CA -0.656 57.347 58.000 0.005 0.000 1.307 482 F CB 0.452 39.456 39.000 0.007 0.000 0.986 482 F HN 0.082 nan 8.300 nan 0.000 0.522 483 D N -0.085 120.367 120.400 0.086 0.000 2.395 483 D HA 0.167 4.807 4.640 -0.000 0.000 0.250 483 D C 1.572 177.899 176.300 0.045 0.000 1.203 483 D CA 0.554 54.586 54.000 0.053 0.000 0.872 483 D CB 0.063 40.870 40.800 0.012 0.000 0.941 483 D HN 0.403 nan 8.370 nan 0.000 0.504 484 G N -0.182 108.660 108.800 0.071 0.000 2.205 484 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.180 484 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.180 484 G C -0.279 174.649 174.900 0.046 0.000 1.004 484 G CA -0.342 44.787 45.100 0.049 0.000 0.670 484 G HN 0.349 nan 8.290 nan 0.000 0.496 485 D N 1.507 121.939 120.400 0.054 0.000 2.400 485 D HA 0.394 5.034 4.640 -0.000 0.000 0.238 485 D C 0.739 177.076 176.300 0.061 0.000 1.157 485 D CA 0.649 54.672 54.000 0.038 0.000 0.889 485 D CB 0.759 41.570 40.800 0.018 0.000 1.199 485 D HN 0.616 nan 8.370 nan 0.000 0.436 486 E N 0.372 120.597 120.200 0.043 0.000 2.281 486 E HA 0.648 4.998 4.350 -0.000 0.000 0.262 486 E C -0.267 176.364 176.600 0.052 0.000 0.933 486 E CA -0.854 55.588 56.400 0.070 0.000 0.809 486 E CB 2.250 31.980 29.700 0.050 0.000 1.242 486 E HN 0.258 nan 8.360 nan 0.000 0.418 487 M N 1.287 120.963 119.600 0.126 0.000 2.470 487 M HA 0.319 4.798 4.480 -0.000 0.000 0.285 487 M C -1.565 174.811 176.300 0.127 0.000 1.213 487 M CA -0.865 54.413 55.300 -0.037 0.000 0.901 487 M CB 2.403 34.784 32.600 -0.364 0.000 1.718 487 M HN 0.464 nan 8.290 nan 0.000 0.469 488 N N 1.802 120.496 118.700 -0.010 0.000 2.430 488 N HA 0.819 5.559 4.740 -0.000 0.000 0.298 488 N C -1.422 174.117 175.510 0.050 0.000 1.130 488 N CA -0.771 52.325 53.050 0.077 0.000 0.894 488 N CB 1.981 40.497 38.487 0.048 0.000 1.209 488 N HN 0.581 nan 8.380 nan 0.000 0.503 489 L N 0.513 121.745 121.223 0.016 0.000 2.386 489 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 489 L C -1.328 175.493 176.870 -0.081 0.000 0.993 489 L CA -0.667 54.196 54.840 0.039 0.000 0.819 489 L CB 1.317 43.291 42.059 -0.141 0.000 1.294 489 L HN 0.591 nan 8.230 nan 0.000 0.414 490 H N 4.187 123.327 119.070 0.115 0.000 2.547 490 H HA 0.393 4.949 4.556 -0.000 0.000 0.342 490 H C -1.080 174.329 175.328 0.135 0.000 1.048 490 H CA -0.712 55.416 56.048 0.133 0.000 1.204 490 H CB 2.417 32.247 29.762 0.112 0.000 1.493 490 H HN 0.326 nan 8.280 nan 0.000 0.511 491 V N 6.158 126.233 119.914 0.267 0.000 2.364 491 V HA 0.146 4.266 4.120 -0.000 0.000 0.272 491 V C -1.813 174.390 176.094 0.181 0.000 1.036 491 V CA -1.597 60.837 62.300 0.224 0.000 0.880 491 V CB 1.152 33.139 31.823 0.274 0.000 0.991 491 V HN 0.622 nan 8.190 nan 0.000 0.460 492 P HA 0.090 nan 4.420 nan 0.000 0.268 492 P C -0.379 176.982 177.300 0.101 0.000 1.204 492 P CA -0.075 63.089 63.100 0.105 0.000 0.768 492 P CB 1.456 33.222 31.700 0.109 0.000 0.842 493 Q N 0.783 120.546 119.800 -0.060 0.000 2.319 493 Q HA 0.153 4.493 4.340 -0.000 0.000 0.209 493 Q C 0.588 176.421 176.000 -0.278 0.000 0.884 493 Q CA 0.348 55.989 55.803 -0.270 0.000 0.938 493 Q CB 0.245 28.697 28.738 -0.476 0.000 1.098 493 Q HN 0.488 nan 8.270 nan 0.000 0.517 494 S N -1.189 114.478 115.700 -0.054 0.000 2.568 494 S HA 0.301 4.771 4.470 -0.000 0.000 0.293 494 S C 0.632 175.310 174.600 0.130 0.000 1.089 494 S CA -0.516 57.668 58.200 -0.026 0.000 0.945 494 S CB 1.451 64.630 63.200 -0.035 0.000 1.077 494 S HN 0.084 nan 8.310 nan 0.000 0.485 495 E N 2.114 122.401 120.200 0.144 0.000 2.114 495 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 495 E C 1.679 178.340 176.600 0.102 0.000 1.008 495 E CA 2.551 59.051 56.400 0.167 0.000 0.810 495 E CB -0.118 29.661 29.700 0.131 0.000 0.739 495 E HN 0.837 nan 8.360 nan 0.000 0.456 496 E N -1.683 118.559 120.200 0.070 0.000 2.299 496 E HA -0.053 4.296 4.350 -0.000 0.000 0.193 496 E C 1.728 178.355 176.600 0.045 0.000 0.998 496 E CA 1.191 57.623 56.400 0.053 0.000 0.851 496 E CB -0.197 29.529 29.700 0.043 0.000 0.795 496 E HN 0.071 nan 8.360 nan 0.000 0.492 497 T N 1.585 116.168 114.554 0.047 0.000 2.737 497 T HA -0.115 4.234 4.350 -0.000 0.000 0.265 497 T C 1.804 176.533 174.700 0.048 0.000 1.038 497 T CA 1.666 63.789 62.100 0.039 0.000 1.144 497 T CB -0.169 68.722 68.868 0.038 0.000 0.866 497 T HN 0.285 nan 8.240 nan 0.000 0.434 498 R N 1.802 122.343 120.500 0.069 0.000 2.081 498 R HA 0.090 4.430 4.340 -0.000 0.000 0.235 498 R C 2.804 179.122 176.300 0.030 0.000 1.131 498 R CA 1.264 57.394 56.100 0.049 0.000 0.960 498 R CB -0.682 29.639 30.300 0.035 0.000 0.856 498 R HN 0.337 nan 8.270 nan 0.000 0.436 499 A N 1.594 124.435 122.820 0.035 0.000 1.940 499 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 499 A C 2.084 179.682 177.584 0.023 0.000 1.176 499 A CA 1.651 53.705 52.037 0.028 0.000 0.631 499 A CB -0.418 18.605 19.000 0.039 0.000 0.814 499 A HN 0.450 nan 8.150 nan 0.000 0.446 500 E N -0.687 119.527 120.200 0.024 0.000 2.152 500 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 500 E C 1.876 178.479 176.600 0.006 0.000 0.983 500 E CA 0.713 57.122 56.400 0.014 0.000 0.818 500 E CB -0.121 29.584 29.700 0.009 0.000 0.758 500 E HN 0.634 nan 8.360 nan 0.000 0.467 501 L N 0.245 121.475 121.223 0.011 0.000 2.023 501 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 501 L C 2.708 179.577 176.870 -0.002 0.000 1.073 501 L CA 1.525 56.370 54.840 0.009 0.000 0.745 501 L CB -0.369 41.706 42.059 0.026 0.000 0.900 501 L HN 0.187 nan 8.230 nan 0.000 0.435 502 S N -1.341 114.359 115.700 -0.001 0.000 2.383 502 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 502 S C 1.925 176.516 174.600 -0.014 0.000 1.026 502 S CA 0.758 58.952 58.200 -0.010 0.000 0.981 502 S CB -0.289 62.906 63.200 -0.008 0.000 0.818 502 S HN 0.348 nan 8.310 nan 0.000 0.472 503 Q N 0.189 119.986 119.800 -0.006 0.000 2.269 503 Q HA 0.302 4.642 4.340 -0.000 0.000 0.201 503 Q C 1.731 177.721 176.000 -0.017 0.000 0.946 503 Q CA 0.654 56.453 55.803 -0.006 0.000 0.877 503 Q CB -0.348 28.396 28.738 0.010 0.000 0.963 503 Q HN 0.455 nan 8.270 nan 0.000 0.472 504 L N -1.272 119.937 121.223 -0.022 0.000 2.433 504 L HA 0.053 4.393 4.340 -0.000 0.000 0.200 504 L C 1.496 178.334 176.870 -0.053 0.000 1.059 504 L CA 0.902 55.719 54.840 -0.039 0.000 0.835 504 L CB -0.297 41.742 42.059 -0.034 0.000 1.076 504 L HN 0.175 nan 8.230 nan 0.000 0.481 505 C N -0.794 118.478 119.300 -0.046 0.000 2.760 505 C HA 0.776 5.235 4.460 -0.000 0.000 0.293 505 C C 1.085 176.033 174.990 -0.069 0.000 1.383 505 C CA -1.504 57.480 59.018 -0.057 0.000 1.771 505 C CB -1.587 26.129 27.740 -0.040 0.000 2.353 505 C HN 0.253 nan 8.230 nan 0.000 0.578 506 A N 1.072 123.848 122.820 -0.073 0.000 2.445 506 A HA 0.450 4.769 4.320 -0.000 0.000 0.242 506 A C 1.351 178.849 177.584 -0.143 0.000 1.075 506 A CA 0.082 52.059 52.037 -0.100 0.000 0.777 506 A CB 0.376 19.331 19.000 -0.075 0.000 1.013 506 A HN 0.361 nan 8.150 nan 0.000 0.493 507 V N 3.283 123.065 119.914 -0.220 0.000 2.282 507 V HA -0.207 3.912 4.120 -0.000 0.000 0.249 507 V C -0.343 175.649 176.094 -0.171 0.000 1.057 507 V CA 2.812 64.971 62.300 -0.236 0.000 1.032 507 V CB -1.650 29.984 31.823 -0.315 0.000 0.645 507 V HN 0.821 nan 8.190 nan 0.000 0.447 508 P HA -0.169 nan 4.420 nan 0.000 0.215 508 P C 1.923 179.175 177.300 -0.079 0.000 1.157 508 P CA 1.500 64.549 63.100 -0.085 0.000 0.874 508 P CB -0.112 31.558 31.700 -0.051 0.000 0.790 509 L N -1.035 120.138 121.223 -0.083 0.000 2.127 509 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 509 L C 2.062 178.869 176.870 -0.104 0.000 1.089 509 L CA 1.296 56.088 54.840 -0.080 0.000 0.757 509 L CB -0.867 41.147 42.059 -0.075 0.000 0.899 509 L HN 0.075 nan 8.230 nan 0.000 0.434 510 Q N -0.332 119.392 119.800 -0.127 0.000 2.403 510 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 510 Q C 2.114 178.019 176.000 -0.158 0.000 0.932 510 Q CA 0.328 56.041 55.803 -0.151 0.000 0.945 510 Q CB 0.378 29.012 28.738 -0.173 0.000 1.045 510 Q HN 0.596 nan 8.270 nan 0.000 0.511 511 I N -0.080 120.410 120.570 -0.133 0.000 2.091 511 I HA -0.198 3.971 4.170 -0.000 0.000 0.239 511 I C 0.828 176.865 176.117 -0.134 0.000 1.061 511 I CA 1.069 62.300 61.300 -0.113 0.000 1.317 511 I CB 0.049 38.025 38.000 -0.041 0.000 1.031 511 I HN -0.102 nan 8.210 nan 0.000 0.401 512 V N 1.547 121.364 119.914 -0.162 0.000 2.364 512 V HA 0.143 4.263 4.120 -0.000 0.000 0.272 512 V C 0.125 176.102 176.094 -0.195 0.000 1.036 512 V CA -0.173 61.988 62.300 -0.232 0.000 0.880 512 V CB 1.207 32.849 31.823 -0.301 0.000 0.991 512 V HN 0.288 nan 8.190 nan 0.000 0.460 513 S N 7.936 123.528 115.700 -0.181 0.000 2.489 513 S HA 0.501 4.971 4.470 -0.000 0.000 0.291 513 S C -1.111 173.432 174.600 -0.095 0.000 1.151 513 S CA -1.523 56.584 58.200 -0.155 0.000 1.082 513 S CB 1.899 64.978 63.200 -0.203 0.000 1.019 513 S HN 0.586 nan 8.310 nan 0.000 0.492 514 P HA -0.177 nan 4.420 nan 0.000 0.220 514 P C 1.332 178.706 177.300 0.123 0.000 1.148 514 P CA 1.062 64.200 63.100 0.062 0.000 0.803 514 P CB 0.100 31.853 31.700 0.088 0.000 0.782 515 Q N 2.333 122.102 119.800 -0.052 0.000 2.197 515 Q HA -0.195 4.145 4.340 -0.000 0.000 0.211 515 Q C 0.973 176.936 176.000 -0.062 0.000 0.993 515 Q CA 2.739 58.458 55.803 -0.141 0.000 0.883 515 Q CB -0.788 27.824 28.738 -0.209 0.000 0.916 515 Q HN 0.345 nan 8.270 nan 0.000 0.418 516 S N -1.357 114.307 115.700 -0.060 0.000 2.665 516 S HA 0.155 4.624 4.470 -0.000 0.000 0.226 516 S C -0.676 173.944 174.600 0.033 0.000 0.773 516 S CA -0.210 57.893 58.200 -0.162 0.000 1.041 516 S CB -1.527 61.545 63.200 -0.214 0.000 1.570 516 S HN 0.611 nan 8.310 nan 0.000 0.470 517 N N 1.678 120.418 118.700 0.066 0.000 2.700 517 N HA -0.278 4.461 4.740 -0.000 0.000 0.265 517 N C -0.509 175.093 175.510 0.153 0.000 0.975 517 N CA 1.899 55.023 53.050 0.124 0.000 0.800 517 N CB -1.793 36.815 38.487 0.202 0.000 0.908 517 N HN 1.055 nan 8.380 nan 0.000 0.551 518 K N -2.942 117.454 120.400 -0.008 0.000 2.642 518 K HA 0.506 4.826 4.320 -0.000 0.000 0.290 518 K C -3.454 173.001 176.600 -0.243 0.000 1.006 518 K CA -1.815 54.395 56.287 -0.128 0.000 0.869 518 K CB 1.872 34.427 32.500 0.092 0.000 1.499 518 K HN -0.090 nan 8.250 nan 0.000 0.403 519 P HA 0.023 nan 4.420 nan 0.000 0.268 519 P C 0.652 177.898 177.300 -0.089 0.000 1.205 519 P CA -0.324 62.665 63.100 -0.185 0.000 0.771 519 P CB 0.508 32.137 31.700 -0.118 0.000 0.858 520 C N 1.793 121.036 119.300 -0.095 0.000 2.778 520 C HA 0.592 5.052 4.460 -0.000 0.000 0.294 520 C C 0.290 175.248 174.990 -0.054 0.000 1.331 520 C CA -0.556 58.411 59.018 -0.084 0.000 1.741 520 C CB -1.507 26.139 27.740 -0.156 0.000 2.106 520 C HN 0.403 nan 8.230 nan 0.000 0.603 521 M N 1.021 120.618 119.600 -0.006 0.000 2.322 521 M HA 0.617 5.097 4.480 -0.000 0.000 0.286 521 M C 0.014 176.447 176.300 0.221 0.000 1.111 521 M CA 0.194 55.515 55.300 0.034 0.000 0.941 521 M CB 2.303 34.834 32.600 -0.114 0.000 1.671 521 M HN 0.404 nan 8.290 nan 0.000 0.470 522 G N 2.328 111.274 108.800 0.244 0.000 3.086 522 G HA2 0.802 4.762 3.960 -0.000 0.000 0.282 522 G HA3 0.802 4.762 3.960 -0.000 0.000 0.282 522 G C -1.282 173.802 174.900 0.307 0.000 1.343 522 G CA -0.748 44.521 45.100 0.281 0.000 0.895 522 G HN 0.603 nan 8.290 nan 0.000 0.557 523 I N 0.614 121.270 120.570 0.143 0.000 2.472 523 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 523 I C 0.187 176.347 176.117 0.071 0.000 1.016 523 I CA -0.347 61.019 61.300 0.110 0.000 1.348 523 I CB 1.467 39.473 38.000 0.010 0.000 1.417 523 I HN 0.158 nan 8.210 nan 0.000 0.521 524 V N 3.766 123.721 119.914 0.068 0.000 3.204 524 V HA 0.350 4.470 4.120 -0.000 0.000 0.308 524 V C 0.579 176.680 176.094 0.013 0.000 1.324 524 V CA -0.762 61.560 62.300 0.037 0.000 1.042 524 V CB 0.613 32.463 31.823 0.044 0.000 1.167 524 V HN 0.822 nan 8.190 nan 0.000 0.478 525 Q N 0.012 119.813 119.800 0.002 0.000 2.729 525 Q HA -0.375 3.965 4.340 -0.000 0.000 0.483 525 Q C 1.417 177.388 176.000 -0.050 0.000 0.499 525 Q CA 2.566 58.358 55.803 -0.019 0.000 1.009 525 Q CB -0.917 27.825 28.738 0.006 0.000 1.892 525 Q HN 0.919 nan 8.270 nan 0.000 1.125 526 D N -0.303 120.073 120.400 -0.040 0.000 2.182 526 D HA -0.142 4.498 4.640 -0.000 0.000 0.193 526 D C 1.992 178.257 176.300 -0.058 0.000 0.999 526 D CA 2.246 56.206 54.000 -0.066 0.000 0.850 526 D CB -0.856 39.923 40.800 -0.035 0.000 0.994 526 D HN 0.465 nan 8.370 nan 0.000 0.450 527 T N 0.846 115.387 114.554 -0.022 0.000 2.684 527 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 527 T C 1.756 176.432 174.700 -0.040 0.000 1.032 527 T CA 1.315 63.404 62.100 -0.019 0.000 1.155 527 T CB -0.456 68.415 68.868 0.005 0.000 0.857 527 T HN 0.029 nan 8.240 nan 0.000 0.457 528 L N 0.941 122.138 121.223 -0.042 0.000 1.961 528 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 528 L C 2.792 179.612 176.870 -0.083 0.000 1.075 528 L CA 1.837 56.645 54.840 -0.054 0.000 0.749 528 L CB -1.520 40.516 42.059 -0.038 0.000 0.890 528 L HN 0.470 nan 8.230 nan 0.000 0.433 529 C N 0.298 119.524 119.300 -0.123 0.000 2.396 529 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 529 C C 2.729 177.616 174.990 -0.171 0.000 1.231 529 C CA 1.168 60.068 59.018 -0.198 0.000 1.775 529 C CB -1.821 25.686 27.740 -0.389 0.000 2.036 529 C HN 0.727 nan 8.230 nan 0.000 0.484 530 G N -0.448 108.281 108.800 -0.118 0.000 2.453 530 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.215 530 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.215 530 G C 1.569 176.440 174.900 -0.049 0.000 1.147 530 G CA 0.691 45.794 45.100 0.004 0.000 0.802 530 G HN 0.637 nan 8.290 nan 0.000 0.535 531 I N 0.336 120.849 120.570 -0.095 0.000 2.454 531 I HA -0.091 4.079 4.170 -0.000 0.000 0.254 531 I C 2.732 178.748 176.117 -0.169 0.000 1.156 531 I CA 1.131 62.336 61.300 -0.158 0.000 1.433 531 I CB -0.052 37.872 38.000 -0.126 0.000 1.082 531 I HN 0.188 nan 8.210 nan 0.000 0.432 532 R N 1.277 121.714 120.500 -0.106 0.000 2.070 532 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 532 R C 2.255 178.506 176.300 -0.081 0.000 1.138 532 R CA 1.875 57.929 56.100 -0.077 0.000 0.936 532 R CB -0.237 30.045 30.300 -0.031 0.000 0.839 532 R HN 0.286 nan 8.270 nan 0.000 0.429 533 K N 0.604 120.986 120.400 -0.031 0.000 2.001 533 K HA -0.209 4.111 4.320 -0.000 0.000 0.214 533 K C 2.198 178.691 176.600 -0.178 0.000 1.050 533 K CA 1.704 58.014 56.287 0.038 0.000 0.934 533 K CB -0.612 32.057 32.500 0.282 0.000 0.718 533 K HN 0.180 nan 8.250 nan 0.000 0.443 534 L N 1.689 122.531 121.223 -0.636 0.000 2.151 534 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 534 L C 2.064 178.645 176.870 -0.482 0.000 1.084 534 L CA 1.962 56.166 54.840 -1.060 0.000 0.764 534 L CB -0.671 40.674 42.059 -1.190 0.000 0.891 534 L HN 0.151 nan 8.230 nan 0.000 0.435 535 T N -0.145 114.227 114.554 -0.303 0.000 2.809 535 T HA 0.071 4.421 4.350 -0.000 0.000 0.260 535 T C 0.850 175.476 174.700 -0.123 0.000 1.039 535 T CA 0.223 62.207 62.100 -0.194 0.000 1.141 535 T CB -0.321 68.457 68.868 -0.150 0.000 0.869 535 T HN 0.217 nan 8.240 nan 0.000 0.437 536 L N 2.444 123.627 121.223 -0.067 0.000 2.811 536 L HA -0.151 4.188 4.340 -0.000 0.000 0.304 536 L C 1.798 178.657 176.870 -0.018 0.000 1.227 536 L CA 0.036 54.869 54.840 -0.012 0.000 0.880 536 L CB 0.173 42.256 42.059 0.040 0.000 1.169 536 L HN 0.219 nan 8.230 nan 0.000 0.498 537 R N 1.814 122.314 120.500 0.001 0.000 2.134 537 R HA -0.243 4.097 4.340 -0.000 0.000 0.248 537 R C 1.475 177.826 176.300 0.085 0.000 1.143 537 R CA 2.189 58.292 56.100 0.005 0.000 0.957 537 R CB -0.274 30.061 30.300 0.059 0.000 0.867 537 R HN 0.726 nan 8.270 nan 0.000 0.441 538 D N 0.058 120.562 120.400 0.173 0.000 2.149 538 D HA -0.103 4.536 4.640 -0.000 0.000 0.194 538 D C 0.315 176.875 176.300 0.433 0.000 1.001 538 D CA 1.167 55.346 54.000 0.300 0.000 0.849 538 D CB -0.380 40.535 40.800 0.193 0.000 0.939 538 D HN 0.138 nan 8.370 nan 0.000 0.449 539 T N 1.505 116.197 114.554 0.229 0.000 2.751 539 T HA 0.102 4.452 4.350 -0.000 0.000 0.279 539 T C -0.149 174.634 174.700 0.139 0.000 0.941 539 T CA 0.192 62.435 62.100 0.237 0.000 1.192 539 T CB -0.379 68.573 68.868 0.141 0.000 0.883 539 T HN -0.153 nan 8.240 nan 0.000 0.534 540 F N 2.767 122.812 119.950 0.158 0.000 2.546 540 F HA 0.627 5.154 4.527 -0.000 0.000 0.320 540 F C 0.210 176.144 175.800 0.223 0.000 1.076 540 F CA -1.510 56.587 58.000 0.160 0.000 0.928 540 F CB 1.308 40.377 39.000 0.115 0.000 1.189 540 F HN 0.318 nan 8.300 nan 0.000 0.465 541 I N 1.945 122.765 120.570 0.416 0.000 2.433 541 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 541 I C -0.714 175.668 176.117 0.442 0.000 1.001 541 I CA -0.707 60.826 61.300 0.388 0.000 1.119 541 I CB 1.784 39.983 38.000 0.332 0.000 1.289 541 I HN 0.585 nan 8.210 nan 0.000 0.438 542 E N 5.734 126.140 120.200 0.344 0.000 2.191 542 E HA 0.248 4.598 4.350 -0.000 0.000 0.278 542 E C 0.788 177.565 176.600 0.296 0.000 0.972 542 E CA -0.804 55.821 56.400 0.376 0.000 0.804 542 E CB 1.999 31.847 29.700 0.246 0.000 1.110 542 E HN 0.486 nan 8.360 nan 0.000 0.394 543 L N 3.283 124.772 121.223 0.442 0.000 2.244 543 L HA -0.429 3.911 4.340 -0.000 0.000 0.239 543 L C 1.986 178.845 176.870 -0.019 0.000 1.131 543 L CA 3.042 57.961 54.840 0.132 0.000 0.854 543 L CB -0.981 41.263 42.059 0.310 0.000 0.951 543 L HN 1.021 nan 8.230 nan 0.000 0.449 544 D N -1.374 119.055 120.400 0.049 0.000 2.154 544 D HA -0.306 4.334 4.640 -0.000 0.000 0.190 544 D C 1.871 178.168 176.300 -0.004 0.000 1.003 544 D CA 2.406 56.417 54.000 0.017 0.000 0.849 544 D CB -0.576 40.244 40.800 0.033 0.000 0.942 544 D HN 0.771 nan 8.370 nan 0.000 0.446 545 Q N 0.144 119.958 119.800 0.024 0.000 1.946 545 Q HA -0.068 4.271 4.340 -0.000 0.000 0.199 545 Q C 2.735 178.714 176.000 -0.036 0.000 0.979 545 Q CA 1.257 57.095 55.803 0.057 0.000 0.834 545 Q CB -0.073 28.743 28.738 0.130 0.000 0.899 545 Q HN 0.181 nan 8.270 nan 0.000 0.431 546 V N 1.869 121.717 119.914 -0.109 0.000 2.313 546 V HA -0.370 3.750 4.120 -0.000 0.000 0.261 546 V C 2.312 178.169 176.094 -0.396 0.000 1.096 546 V CA 1.859 63.959 62.300 -0.332 0.000 1.090 546 V CB -0.759 30.602 31.823 -0.769 0.000 0.683 546 V HN 0.432 nan 8.190 nan 0.000 0.452 547 L N -0.438 120.589 121.223 -0.327 0.000 2.083 547 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 547 L C 2.463 179.188 176.870 -0.242 0.000 1.083 547 L CA 1.725 56.389 54.840 -0.294 0.000 0.752 547 L CB -0.742 41.208 42.059 -0.181 0.000 0.899 547 L HN 0.487 nan 8.230 nan 0.000 0.433 548 N N -0.058 118.555 118.700 -0.146 0.000 2.109 548 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 548 N C 1.917 177.317 175.510 -0.184 0.000 1.034 548 N CA 1.116 54.104 53.050 -0.103 0.000 0.846 548 N CB -0.183 38.277 38.487 -0.044 0.000 1.010 548 N HN 0.228 nan 8.380 nan 0.000 0.425 549 M N 0.785 120.240 119.600 -0.241 0.000 2.146 549 M HA -0.208 4.272 4.480 -0.000 0.000 0.256 549 M C 2.062 178.209 176.300 -0.256 0.000 1.075 549 M CA 1.404 56.564 55.300 -0.232 0.000 1.082 549 M CB -0.631 31.907 32.600 -0.103 0.000 1.355 549 M HN 0.132 nan 8.290 nan 0.000 0.402 550 L N -1.752 119.212 121.223 -0.432 0.000 2.072 550 L HA -0.214 4.126 4.340 -0.000 0.000 0.205 550 L C 2.585 179.093 176.870 -0.604 0.000 1.079 550 L CA 1.033 55.392 54.840 -0.801 0.000 0.752 550 L CB -0.786 40.425 42.059 -1.413 0.000 0.906 550 L HN 0.198 nan 8.230 nan 0.000 0.436 551 Y N -0.573 119.432 120.300 -0.491 0.000 2.274 551 Y HA -0.255 4.294 4.550 -0.000 0.000 0.290 551 Y C 2.078 177.901 175.900 -0.129 0.000 1.145 551 Y CA 0.882 58.858 58.100 -0.206 0.000 1.203 551 Y CB -0.533 37.814 38.460 -0.189 0.000 0.984 551 Y HN 0.092 nan 8.280 nan 0.000 0.533 552 W N 0.051 121.188 121.300 -0.271 0.000 2.363 552 W HA -0.073 4.587 4.660 -0.000 0.000 0.296 552 W C 0.738 177.137 176.519 -0.199 0.000 1.212 552 W CA 1.400 58.566 57.345 -0.299 0.000 1.260 552 W CB -0.470 28.806 29.460 -0.307 0.000 1.131 552 W HN -0.345 nan 8.180 nan 0.000 0.530 553 V N 4.374 124.340 119.914 0.085 0.000 2.393 553 V HA -0.076 4.044 4.120 -0.000 0.000 0.257 553 V C -0.862 175.291 176.094 0.098 0.000 1.040 553 V CA -0.593 61.759 62.300 0.087 0.000 1.097 553 V CB -0.242 31.615 31.823 0.058 0.000 1.101 553 V HN 0.000 nan 8.190 nan 0.000 0.479 554 P HA -0.179 nan 4.420 nan 0.000 0.221 554 P C 0.610 177.952 177.300 0.069 0.000 1.141 554 P CA 1.372 64.484 63.100 0.020 0.000 0.794 554 P CB 0.493 32.200 31.700 0.013 0.000 0.764 555 D N -2.390 118.077 120.400 0.112 0.000 2.394 555 D HA -0.038 4.602 4.640 -0.000 0.000 0.226 555 D C 0.687 177.083 176.300 0.161 0.000 0.990 555 D CA -0.262 53.802 54.000 0.106 0.000 0.902 555 D CB -0.690 40.162 40.800 0.086 0.000 1.038 555 D HN 0.092 nan 8.370 nan 0.000 0.499 556 W N 5.349 126.655 121.300 0.010 0.000 2.613 556 W HA -0.209 4.451 4.660 -0.000 0.000 0.307 556 W C 0.924 177.455 176.519 0.019 0.000 0.785 556 W CA 0.164 57.519 57.345 0.017 0.000 0.845 556 W CB 0.049 29.526 29.460 0.028 0.000 1.006 556 W HN 0.091 nan 8.180 nan 0.000 0.507 557 D N 4.424 124.601 120.400 -0.373 0.000 2.371 557 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 557 D C 1.468 177.220 176.300 -0.914 0.000 1.049 557 D CA 0.736 54.455 54.000 -0.469 0.000 0.907 557 D CB -0.572 40.075 40.800 -0.256 0.000 0.891 557 D HN 0.851 nan 8.370 nan 0.000 0.531 558 G N 0.466 108.007 108.800 -2.098 0.000 2.338 558 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.296 558 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.296 558 G C 0.031 174.162 174.900 -1.282 0.000 1.040 558 G CA 0.122 43.767 45.100 -2.425 0.000 1.004 558 G HN 0.369 nan 8.290 nan 0.000 0.509 559 V N 2.905 122.292 119.914 -0.878 0.000 2.383 559 V HA 0.262 4.382 4.120 -0.000 0.000 0.261 559 V C 1.077 177.404 176.094 0.388 0.000 0.987 559 V CA -0.724 61.539 62.300 -0.061 0.000 0.853 559 V CB 0.678 32.461 31.823 -0.068 0.000 1.095 559 V HN 0.635 nan 8.190 nan 0.000 0.461 560 I N 2.800 123.681 120.570 0.517 0.000 3.085 560 I HA 0.104 4.274 4.170 -0.000 0.000 0.302 560 I C -1.647 174.649 176.117 0.299 0.000 1.234 560 I CA -0.593 60.931 61.300 0.374 0.000 1.396 560 I CB -0.135 38.008 38.000 0.238 0.000 1.385 560 I HN 0.319 nan 8.210 nan 0.000 0.533 561 P HA 0.141 nan 4.420 nan 0.000 0.279 561 P C -0.210 177.357 177.300 0.445 0.000 1.239 561 P CA -0.249 63.038 63.100 0.312 0.000 0.789 561 P CB 0.838 32.699 31.700 0.268 0.000 0.933 562 T N 5.104 119.822 114.554 0.274 0.000 2.849 562 T HA 0.071 4.421 4.350 -0.000 0.000 0.289 562 T C -1.992 172.768 174.700 0.100 0.000 1.010 562 T CA -0.065 62.145 62.100 0.183 0.000 1.161 562 T CB -0.949 67.971 68.868 0.086 0.000 0.989 562 T HN 0.390 nan 8.240 nan 0.000 0.523 563 P HA 0.186 nan 4.420 nan 0.000 0.268 563 P C 0.266 177.357 177.300 -0.349 0.000 1.208 563 P CA -0.273 62.351 63.100 -0.793 0.000 0.777 563 P CB 0.435 31.448 31.700 -1.146 0.000 0.875 564 A N 2.826 125.474 122.820 -0.287 0.000 2.119 564 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 564 A C 0.866 178.404 177.584 -0.076 0.000 1.152 564 A CA 1.016 52.991 52.037 -0.104 0.000 0.708 564 A CB -0.495 18.476 19.000 -0.048 0.000 0.805 564 A HN 0.508 nan 8.150 nan 0.000 0.460 565 I N 0.210 120.696 120.570 -0.141 0.000 2.468 565 I HA 0.291 4.460 4.170 -0.000 0.000 0.284 565 I C 0.131 176.141 176.117 -0.179 0.000 1.038 565 I CA -0.207 61.040 61.300 -0.089 0.000 1.083 565 I CB 1.836 39.840 38.000 0.007 0.000 1.223 565 I HN 0.154 nan 8.210 nan 0.000 0.443 566 I N 5.151 125.643 120.570 -0.130 0.000 3.339 566 I HA -0.060 4.109 4.170 -0.000 0.000 0.285 566 I C 1.996 178.064 176.117 -0.081 0.000 1.201 566 I CA 0.057 61.283 61.300 -0.124 0.000 1.434 566 I CB -0.167 37.781 38.000 -0.088 0.000 1.152 566 I HN 0.561 nan 8.210 nan 0.000 0.443 567 K N 2.972 123.335 120.400 -0.062 0.000 2.537 567 K HA -0.188 4.132 4.320 -0.000 0.000 0.225 567 K C -0.784 175.790 176.600 -0.043 0.000 0.691 567 K CA 1.471 57.731 56.287 -0.046 0.000 0.882 567 K CB -2.529 29.947 32.500 -0.041 0.000 0.335 567 K HN 0.065 nan 8.250 nan 0.000 1.014 568 P HA -0.138 nan 4.420 nan 0.000 0.213 568 P C -0.067 177.213 177.300 -0.034 0.000 1.170 568 P CA 1.421 64.500 63.100 -0.035 0.000 0.889 568 P CB 0.095 31.774 31.700 -0.036 0.000 0.782 569 K N 1.106 121.480 120.400 -0.044 0.000 2.274 569 K HA 0.338 4.658 4.320 -0.000 0.000 0.262 569 K C -2.518 174.040 176.600 -0.070 0.000 0.961 569 K CA -2.764 53.503 56.287 -0.034 0.000 0.833 569 K CB 1.722 34.211 32.500 -0.020 0.000 1.102 569 K HN -0.073 nan 8.250 nan 0.000 0.436 570 P HA 0.059 nan 4.420 nan 0.000 0.271 570 P C -1.185 175.942 177.300 -0.289 0.000 1.233 570 P CA -0.327 62.624 63.100 -0.248 0.000 0.764 570 P CB 0.722 32.314 31.700 -0.179 0.000 0.825 571 L N 4.719 125.698 121.223 -0.407 0.000 2.388 571 L HA 0.593 4.933 4.340 -0.000 0.000 0.264 571 L C -0.538 176.160 176.870 -0.285 0.000 0.998 571 L CA -0.635 54.136 54.840 -0.115 0.000 0.817 571 L CB 1.772 43.919 42.059 0.146 0.000 1.338 571 L HN 0.445 nan 8.230 nan 0.000 0.414 572 W N 0.803 122.201 121.300 0.164 0.000 2.799 572 W HA 0.678 5.338 4.660 -0.000 0.000 0.349 572 W C -0.170 176.334 176.519 -0.025 0.000 1.100 572 W CA -0.667 56.717 57.345 0.066 0.000 1.174 572 W CB 2.265 31.749 29.460 0.040 0.000 1.427 572 W HN 0.545 nan 8.180 nan 0.000 0.547 573 S N -0.559 115.169 115.700 0.047 0.000 2.648 573 S HA 0.612 5.081 4.470 -0.000 0.000 0.305 573 S C 0.731 175.252 174.600 -0.131 0.000 1.094 573 S CA -0.088 57.974 58.200 -0.231 0.000 0.983 573 S CB 1.745 64.683 63.200 -0.437 0.000 1.101 573 S HN 0.623 nan 8.310 nan 0.000 0.514 574 G N 1.764 110.442 108.800 -0.204 0.000 2.739 574 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 574 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 574 G C 1.125 175.911 174.900 -0.190 0.000 1.298 574 G CA 1.280 46.235 45.100 -0.241 0.000 0.804 574 G HN 0.848 nan 8.290 nan 0.000 0.623 575 K N 0.022 120.317 120.400 -0.176 0.000 2.090 575 K HA -0.348 3.972 4.320 -0.000 0.000 0.218 575 K C 2.577 179.121 176.600 -0.094 0.000 1.055 575 K CA 2.076 58.283 56.287 -0.133 0.000 0.941 575 K CB -0.420 32.013 32.500 -0.112 0.000 0.722 575 K HN 0.516 nan 8.250 nan 0.000 0.458 576 Q N 0.750 120.510 119.800 -0.067 0.000 2.029 576 Q HA -0.227 4.113 4.340 -0.000 0.000 0.209 576 Q C 2.227 178.230 176.000 0.004 0.000 0.999 576 Q CA 2.465 58.267 55.803 -0.001 0.000 0.857 576 Q CB -0.193 28.584 28.738 0.065 0.000 0.926 576 Q HN 0.626 nan 8.270 nan 0.000 0.415 577 I N -2.084 118.472 120.570 -0.022 0.000 2.584 577 I HA -0.054 4.116 4.170 -0.000 0.000 0.255 577 I C 2.164 178.227 176.117 -0.092 0.000 1.145 577 I CA 0.471 61.733 61.300 -0.063 0.000 1.462 577 I CB -0.354 37.582 38.000 -0.107 0.000 1.102 577 I HN 0.216 nan 8.210 nan 0.000 0.433 578 L N 1.555 122.707 121.223 -0.118 0.000 2.189 578 L HA -0.148 4.192 4.340 -0.000 0.000 0.214 578 L C 2.268 179.085 176.870 -0.089 0.000 1.097 578 L CA 1.842 56.606 54.840 -0.127 0.000 0.764 578 L CB -0.851 41.111 42.059 -0.160 0.000 0.900 578 L HN 0.238 nan 8.230 nan 0.000 0.436 579 S N -1.154 114.504 115.700 -0.070 0.000 2.474 579 S HA -0.072 4.397 4.470 -0.000 0.000 0.235 579 S C 1.782 176.371 174.600 -0.018 0.000 0.997 579 S CA 1.061 59.233 58.200 -0.047 0.000 0.949 579 S CB -0.345 62.834 63.200 -0.034 0.000 0.766 579 S HN 0.408 nan 8.310 nan 0.000 0.517 580 V N 1.270 121.175 119.914 -0.015 0.000 2.970 580 V HA -0.046 4.074 4.120 -0.000 0.000 0.260 580 V C 2.268 178.380 176.094 0.030 0.000 1.100 580 V CA 1.361 63.676 62.300 0.024 0.000 1.122 580 V CB -0.989 30.828 31.823 -0.010 0.000 0.721 580 V HN 0.527 nan 8.190 nan 0.000 0.483 581 A N -0.307 122.508 122.820 -0.007 0.000 2.030 581 A HA 0.262 4.581 4.320 -0.000 0.000 0.215 581 A C 1.132 178.712 177.584 -0.007 0.000 1.164 581 A CA 0.169 52.205 52.037 -0.002 0.000 0.697 581 A CB -0.135 18.848 19.000 -0.027 0.000 0.827 581 A HN 0.472 nan 8.150 nan 0.000 0.457 582 I N 2.978 123.535 120.570 -0.022 0.000 2.436 582 I HA 0.144 4.314 4.170 -0.000 0.000 0.289 582 I C -2.020 174.094 176.117 -0.004 0.000 1.083 582 I CA -1.735 59.548 61.300 -0.028 0.000 1.372 582 I CB 0.878 38.850 38.000 -0.047 0.000 1.408 582 I HN 0.188 nan 8.210 nan 0.000 0.516 583 P HA 0.086 nan 4.420 nan 0.000 0.274 583 P C -0.929 176.380 177.300 0.015 0.000 1.246 583 P CA -0.502 62.608 63.100 0.017 0.000 0.795 583 P CB 0.569 32.281 31.700 0.020 0.000 1.006 584 N N 0.073 118.786 118.700 0.021 0.000 2.416 584 N HA 0.155 4.895 4.740 -0.000 0.000 0.246 584 N C 1.350 176.875 175.510 0.026 0.000 1.260 584 N CA 0.990 54.052 53.050 0.020 0.000 0.897 584 N CB -0.215 38.285 38.487 0.021 0.000 1.110 584 N HN 0.831 nan 8.380 nan 0.000 0.439 585 G N 0.166 108.984 108.800 0.030 0.000 2.141 585 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.242 585 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.242 585 G C -0.215 174.724 174.900 0.065 0.000 0.982 585 G CA -0.368 44.763 45.100 0.051 0.000 0.662 585 G HN 0.503 nan 8.290 nan 0.000 0.527 586 I N 1.692 122.289 120.570 0.044 0.000 2.330 586 I HA 0.367 4.536 4.170 -0.000 0.000 0.289 586 I C -0.099 176.048 176.117 0.051 0.000 1.001 586 I CA -0.833 60.493 61.300 0.044 0.000 1.193 586 I CB 1.124 39.129 38.000 0.008 0.000 1.345 586 I HN 0.128 nan 8.210 nan 0.000 0.461 587 H N 7.383 126.448 119.070 -0.009 0.000 2.481 587 H HA 0.605 5.160 4.556 -0.000 0.000 0.333 587 H C -1.743 173.566 175.328 -0.031 0.000 1.066 587 H CA -0.637 55.402 56.048 -0.016 0.000 1.209 587 H CB 2.086 31.851 29.762 0.005 0.000 1.445 587 H HN 0.403 nan 8.280 nan 0.000 0.488 588 L N 4.335 125.589 121.223 0.052 0.000 2.455 588 L HA 0.379 4.718 4.340 -0.000 0.000 0.264 588 L C -1.318 175.536 176.870 -0.025 0.000 0.968 588 L CA -0.334 54.535 54.840 0.048 0.000 0.827 588 L CB 2.150 44.183 42.059 -0.044 0.000 1.317 588 L HN 0.684 nan 8.230 nan 0.000 0.407 589 Q N 3.650 123.464 119.800 0.024 0.000 2.359 589 Q HA 0.521 4.861 4.340 -0.000 0.000 0.274 589 Q C -0.521 175.472 176.000 -0.012 0.000 1.074 589 Q CA -0.683 55.105 55.803 -0.024 0.000 0.810 589 Q CB 3.332 32.159 28.738 0.149 0.000 1.342 589 Q HN 0.654 nan 8.270 nan 0.000 0.427 590 R N 1.016 121.449 120.500 -0.112 0.000 2.580 590 R HA 0.352 4.692 4.340 -0.000 0.000 0.161 590 R C -0.747 175.652 176.300 0.166 0.000 1.659 590 R CA 0.051 56.147 56.100 -0.006 0.000 1.325 590 R CB 0.806 31.065 30.300 -0.069 0.000 1.254 590 R HN 0.711 nan 8.270 nan 0.000 0.474 591 F N 1.608 121.594 119.950 0.059 0.000 2.173 591 F HA -0.205 4.322 4.527 -0.000 0.000 0.509 591 F C 0.188 176.017 175.800 0.050 0.000 1.273 591 F CA -0.005 58.044 58.000 0.082 0.000 1.634 591 F CB -0.436 38.608 39.000 0.075 0.000 2.601 591 F HN 0.317 nan 8.300 nan 0.000 0.728 592 D N 1.622 122.124 120.400 0.169 0.000 2.714 592 D HA 0.115 4.755 4.640 -0.000 0.000 0.259 592 D C 1.490 177.859 176.300 0.114 0.000 1.242 592 D CA -0.007 54.059 54.000 0.111 0.000 1.106 592 D CB 0.082 40.920 40.800 0.063 0.000 0.931 592 D HN 0.372 nan 8.370 nan 0.000 0.231 593 E N 0.715 120.966 120.200 0.085 0.000 3.020 593 E HA 0.083 4.433 4.350 -0.000 0.000 0.417 593 E C 0.986 177.641 176.600 0.091 0.000 0.583 593 E CA 0.190 56.633 56.400 0.072 0.000 2.559 593 E CB -0.942 28.788 29.700 0.051 0.000 1.719 593 E HN 0.278 nan 8.360 nan 0.000 0.514 594 G N 1.912 110.756 108.800 0.072 0.000 3.008 594 G HA2 0.181 4.140 3.960 -0.000 0.000 0.272 594 G HA3 0.181 4.140 3.960 -0.000 0.000 0.272 594 G C -0.455 174.502 174.900 0.096 0.000 0.764 594 G CA 0.019 45.163 45.100 0.073 0.000 2.029 594 G HN 0.011 nan 8.290 nan 0.000 0.587 595 T N 0.725 115.385 114.554 0.177 0.000 2.867 595 T HA 0.597 4.947 4.350 -0.000 0.000 0.282 595 T C 0.428 175.327 174.700 0.332 0.000 1.000 595 T CA -0.329 61.910 62.100 0.232 0.000 1.042 595 T CB 1.627 70.692 68.868 0.328 0.000 0.973 595 T HN 0.447 nan 8.240 nan 0.000 0.465 596 T N 0.182 114.863 114.554 0.211 0.000 3.588 596 T HA 0.264 4.614 4.350 -0.000 0.000 0.253 596 T C 0.295 175.039 174.700 0.074 0.000 0.887 596 T CA -0.842 61.388 62.100 0.216 0.000 1.582 596 T CB -0.775 68.137 68.868 0.074 0.000 0.810 596 T HN 0.371 nan 8.240 nan 0.000 0.598 597 L N 0.642 121.979 121.223 0.190 0.000 4.285 597 L HA -0.177 4.163 4.340 -0.000 0.000 0.491 597 L C 0.810 177.499 176.870 -0.301 0.000 1.016 597 L CA 1.289 56.130 54.840 0.002 0.000 0.959 597 L CB -1.292 40.876 42.059 0.181 0.000 1.838 597 L HN 0.835 nan 8.230 nan 0.000 1.078 598 L N -1.031 119.897 121.223 -0.492 0.000 3.126 598 L HA 0.063 4.403 4.340 -0.000 0.000 0.355 598 L C 0.669 177.323 176.870 -0.359 0.000 1.288 598 L CA 0.163 54.766 54.840 -0.395 0.000 0.852 598 L CB 0.190 42.146 42.059 -0.171 0.000 1.193 598 L HN 0.223 nan 8.230 nan 0.000 0.565 599 S N 0.350 115.720 115.700 -0.549 0.000 3.361 599 S HA 0.011 4.481 4.470 -0.000 0.000 0.396 599 S C -0.941 173.566 174.600 -0.156 0.000 1.165 599 S CA -0.376 57.657 58.200 -0.277 0.000 1.192 599 S CB 0.106 63.172 63.200 -0.225 0.000 0.843 599 S HN 0.412 nan 8.310 nan 0.000 0.528 600 P HA -0.112 nan 4.420 nan 0.000 0.216 600 P C 0.677 177.966 177.300 -0.019 0.000 1.153 600 P CA 1.247 64.321 63.100 -0.043 0.000 0.848 600 P CB 0.062 31.749 31.700 -0.022 0.000 0.787 601 K N -0.511 119.886 120.400 -0.005 0.000 2.505 601 K HA -0.009 4.311 4.320 -0.000 0.000 0.192 601 K C 0.117 176.730 176.600 0.022 0.000 1.025 601 K CA 0.152 56.447 56.287 0.014 0.000 1.086 601 K CB -0.601 31.913 32.500 0.024 0.000 0.840 601 K HN -0.040 nan 8.250 nan 0.000 0.514 602 D N 1.369 121.777 120.400 0.013 0.000 2.699 602 D HA -0.162 4.478 4.640 -0.000 0.000 0.239 602 D C -0.662 175.683 176.300 0.075 0.000 1.136 602 D CA 0.484 54.514 54.000 0.049 0.000 0.668 602 D CB -1.038 39.786 40.800 0.040 0.000 1.060 602 D HN 0.227 nan 8.370 nan 0.000 0.429 603 N N -0.302 118.446 118.700 0.080 0.000 2.418 603 N HA 0.569 5.308 4.740 -0.000 0.000 0.283 603 N C 1.460 177.028 175.510 0.096 0.000 1.267 603 N CA 0.346 53.441 53.050 0.075 0.000 0.975 603 N CB 0.017 38.545 38.487 0.069 0.000 1.167 603 N HN 0.407 nan 8.380 nan 0.000 0.581 604 G N 0.170 108.987 108.800 0.029 0.000 2.574 604 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.295 604 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.295 604 G C -0.354 174.457 174.900 -0.150 0.000 1.300 604 G CA 0.918 45.982 45.100 -0.059 0.000 0.944 604 G HN 0.647 nan 8.290 nan 0.000 0.551 605 M N -1.448 117.951 119.600 -0.335 0.000 2.333 605 M HA 0.682 5.162 4.480 -0.000 0.000 0.286 605 M C -1.938 173.969 176.300 -0.656 0.000 1.113 605 M CA -0.660 54.376 55.300 -0.441 0.000 0.959 605 M CB 1.866 34.319 32.600 -0.245 0.000 1.776 605 M HN 1.430 nan 8.290 nan 0.000 0.492 606 L N 6.787 127.474 121.223 -0.894 0.000 2.457 606 L HA 0.745 5.085 4.340 -0.000 0.000 0.266 606 L C -2.068 174.509 176.870 -0.489 0.000 0.979 606 L CA -0.088 54.289 54.840 -0.771 0.000 0.857 606 L CB 1.151 42.500 42.059 -1.183 0.000 1.213 606 L HN 0.767 nan 8.230 nan 0.000 0.418 607 I N 6.030 126.390 120.570 -0.351 0.000 2.378 607 I HA 0.481 4.651 4.170 -0.000 0.000 0.291 607 I C -0.540 175.370 176.117 -0.346 0.000 0.992 607 I CA -0.473 60.663 61.300 -0.273 0.000 1.154 607 I CB 1.666 39.551 38.000 -0.191 0.000 1.315 607 I HN 0.475 nan 8.210 nan 0.000 0.448 608 I N 4.889 125.288 120.570 -0.285 0.000 2.509 608 I HA 0.230 4.399 4.170 -0.000 0.000 0.293 608 I C 0.107 176.138 176.117 -0.143 0.000 1.020 608 I CA -0.455 60.655 61.300 -0.316 0.000 1.088 608 I CB 1.749 39.598 38.000 -0.253 0.000 1.267 608 I HN 0.631 nan 8.210 nan 0.000 0.430 609 D N 4.767 125.114 120.400 -0.089 0.000 2.782 609 D HA -0.207 4.433 4.640 -0.000 0.000 0.231 609 D C 0.918 177.205 176.300 -0.022 0.000 1.163 609 D CA 1.657 55.645 54.000 -0.020 0.000 0.680 609 D CB -0.694 40.107 40.800 0.002 0.000 1.062 609 D HN 1.145 nan 8.370 nan 0.000 0.425 610 G N -0.440 108.334 108.800 -0.043 0.000 2.225 610 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.264 610 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.264 610 G C -0.326 174.550 174.900 -0.040 0.000 1.060 610 G CA 0.373 45.451 45.100 -0.036 0.000 0.833 610 G HN 0.457 nan 8.290 nan 0.000 0.498 611 Q N -0.565 119.197 119.800 -0.063 0.000 2.285 611 Q HA 0.419 4.759 4.340 -0.000 0.000 0.269 611 Q C 0.319 176.264 176.000 -0.091 0.000 1.030 611 Q CA -0.712 55.057 55.803 -0.056 0.000 0.788 611 Q CB 1.765 30.484 28.738 -0.032 0.000 1.266 611 Q HN 0.436 nan 8.270 nan 0.000 0.438 612 I N 3.820 124.334 120.570 -0.093 0.000 2.494 612 I HA -0.003 4.167 4.170 -0.000 0.000 0.289 612 I C 1.361 177.418 176.117 -0.100 0.000 1.106 612 I CA 0.307 61.533 61.300 -0.124 0.000 1.369 612 I CB 0.395 38.324 38.000 -0.118 0.000 1.410 612 I HN 0.618 nan 8.210 nan 0.000 0.523 613 I N 6.969 127.461 120.570 -0.131 0.000 2.867 613 I HA 0.031 4.201 4.170 -0.000 0.000 0.265 613 I C 0.097 176.264 176.117 0.083 0.000 1.162 613 I CA 0.633 61.911 61.300 -0.036 0.000 1.471 613 I CB 0.280 38.266 38.000 -0.024 0.000 1.123 613 I HN 0.552 nan 8.210 nan 0.000 0.440 614 F N -0.267 119.626 119.950 -0.096 0.000 2.725 614 F HA 0.672 5.198 4.527 -0.000 0.000 0.309 614 F C -0.602 175.132 175.800 -0.111 0.000 1.132 614 F CA -0.896 57.047 58.000 -0.095 0.000 0.957 614 F CB 0.331 39.278 39.000 -0.087 0.000 1.286 614 F HN -0.028 nan 8.300 nan 0.000 0.440 615 G N 1.228 110.175 108.800 0.245 0.000 2.788 615 G HA2 0.279 4.239 3.960 -0.000 0.000 0.686 615 G HA3 0.279 4.239 3.960 -0.000 0.000 0.686 615 G C -1.523 173.371 174.900 -0.011 0.000 1.147 615 G CA -0.662 44.505 45.100 0.112 0.000 0.755 615 G HN 1.341 nan 8.290 nan 0.000 0.634 616 V N 1.706 121.616 119.914 -0.007 0.000 2.715 616 V HA 0.369 4.488 4.120 -0.000 0.000 0.299 616 V C 1.190 177.248 176.094 -0.060 0.000 1.054 616 V CA -0.447 61.831 62.300 -0.036 0.000 1.077 616 V CB 1.579 33.391 31.823 -0.017 0.000 0.972 616 V HN 0.853 nan 8.190 nan 0.000 0.484 617 V N 5.710 125.575 119.914 -0.081 0.000 2.385 617 V HA 0.444 4.564 4.120 -0.000 0.000 0.269 617 V C 0.129 176.179 176.094 -0.074 0.000 1.043 617 V CA -0.112 62.134 62.300 -0.089 0.000 0.906 617 V CB 0.775 32.530 31.823 -0.112 0.000 0.995 617 V HN 1.172 nan 8.190 nan 0.000 0.467 618 E N 3.434 123.599 120.200 -0.058 0.000 2.334 618 E HA 0.434 4.784 4.350 -0.000 0.000 0.200 618 E C 0.923 177.501 176.600 -0.037 0.000 0.855 618 E CA -0.821 55.553 56.400 -0.044 0.000 0.882 618 E CB 0.533 30.217 29.700 -0.026 0.000 1.993 618 E HN 0.056 nan 8.360 nan 0.000 0.412 619 K N 0.457 120.844 120.400 -0.022 0.000 2.000 619 K HA -0.225 4.094 4.320 -0.000 0.000 0.218 619 K C 1.618 178.210 176.600 -0.013 0.000 1.053 619 K CA 2.382 58.661 56.287 -0.013 0.000 0.946 619 K CB -0.305 32.195 32.500 -0.001 0.000 0.723 619 K HN 0.397 nan 8.250 nan 0.000 0.446 620 K N -0.511 119.883 120.400 -0.010 0.000 2.293 620 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 620 K C 1.873 178.461 176.600 -0.020 0.000 1.045 620 K CA 1.895 58.176 56.287 -0.009 0.000 0.933 620 K CB -0.137 32.357 32.500 -0.009 0.000 0.736 620 K HN 0.328 nan 8.250 nan 0.000 0.463 621 T N -0.293 114.239 114.554 -0.037 0.000 2.988 621 T HA 0.004 4.353 4.350 -0.000 0.000 0.240 621 T C 1.447 176.111 174.700 -0.059 0.000 1.014 621 T CA 0.398 62.466 62.100 -0.054 0.000 1.155 621 T CB 0.278 69.100 68.868 -0.076 0.000 0.872 621 T HN 0.034 nan 8.240 nan 0.000 0.440 622 V N 1.912 121.786 119.914 -0.066 0.000 3.177 622 V HA 0.554 4.674 4.120 -0.000 0.000 0.342 622 V C 0.706 176.763 176.094 -0.060 0.000 1.379 622 V CA -0.117 62.128 62.300 -0.090 0.000 1.191 622 V CB -0.598 31.158 31.823 -0.112 0.000 1.167 622 V HN 0.461 nan 8.190 nan 0.000 0.471 623 G N 0.158 108.944 108.800 -0.024 0.000 2.583 623 G HA2 0.343 4.303 3.960 -0.000 0.000 0.280 623 G HA3 0.343 4.303 3.960 -0.000 0.000 0.280 623 G C 0.601 175.519 174.900 0.030 0.000 1.376 623 G CA 0.340 45.446 45.100 0.010 0.000 1.043 623 G HN 0.612 nan 8.290 nan 0.000 0.538 624 S N -0.630 115.098 115.700 0.047 0.000 2.677 624 S HA 0.274 4.743 4.470 -0.000 0.000 0.246 624 S C 0.922 175.552 174.600 0.051 0.000 1.005 624 S CA 0.207 58.438 58.200 0.051 0.000 1.062 624 S CB -0.905 62.322 63.200 0.045 0.000 0.778 624 S HN 0.854 nan 8.310 nan 0.000 0.461 625 S N 1.218 116.950 115.700 0.053 0.000 2.617 625 S HA 0.312 4.781 4.470 -0.000 0.000 0.259 625 S C 1.103 175.773 174.600 0.117 0.000 1.301 625 S CA -0.722 57.517 58.200 0.065 0.000 0.984 625 S CB 0.308 63.532 63.200 0.039 0.000 0.954 625 S HN 0.394 nan 8.310 nan 0.000 0.572 626 N N 1.547 120.320 118.700 0.122 0.000 2.025 626 N HA -0.075 4.665 4.740 -0.000 0.000 0.194 626 N C 1.927 177.498 175.510 0.101 0.000 1.069 626 N CA 1.722 54.881 53.050 0.181 0.000 0.855 626 N CB -1.292 37.246 38.487 0.085 0.000 1.054 626 N HN 0.863 nan 8.380 nan 0.000 0.427 627 G N 0.586 109.389 108.800 0.005 0.000 2.625 627 G HA2 0.004 3.964 3.960 -0.000 0.000 0.214 627 G HA3 0.004 3.964 3.960 -0.000 0.000 0.214 627 G C 0.771 175.671 174.900 0.001 0.000 1.132 627 G CA 0.503 45.577 45.100 -0.044 0.000 0.782 627 G HN 0.484 nan 8.290 nan 0.000 0.538 628 G N -0.252 108.579 108.800 0.051 0.000 2.754 628 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.228 628 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.228 628 G C 1.066 175.982 174.900 0.027 0.000 1.016 628 G CA -0.053 45.074 45.100 0.045 0.000 0.898 628 G HN 0.284 nan 8.290 nan 0.000 0.463 629 L N 1.930 123.139 121.223 -0.023 0.000 2.079 629 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 629 L C 2.730 179.578 176.870 -0.037 0.000 1.081 629 L CA 1.435 56.247 54.840 -0.047 0.000 0.752 629 L CB -0.227 41.777 42.059 -0.092 0.000 0.896 629 L HN 0.710 nan 8.230 nan 0.000 0.433 630 I N -1.240 119.303 120.570 -0.046 0.000 2.163 630 I HA -0.322 3.848 4.170 -0.000 0.000 0.240 630 I C 2.558 178.716 176.117 0.068 0.000 1.081 630 I CA 1.032 62.310 61.300 -0.037 0.000 1.353 630 I CB -0.784 37.186 38.000 -0.050 0.000 1.054 630 I HN 0.338 nan 8.210 nan 0.000 0.407 631 H N 1.095 120.160 119.070 -0.008 0.000 2.460 631 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 631 H C 2.006 177.331 175.328 -0.005 0.000 1.103 631 H CA 1.601 57.648 56.048 -0.001 0.000 1.292 631 H CB 0.000 29.764 29.762 0.003 0.000 1.376 631 H HN 0.127 nan 8.280 nan 0.000 0.531 632 V N -0.728 119.275 119.914 0.148 0.000 2.374 632 V HA -0.129 3.991 4.120 -0.000 0.000 0.241 632 V C 2.828 178.959 176.094 0.061 0.000 1.034 632 V CA 1.094 63.435 62.300 0.068 0.000 1.037 632 V CB -0.697 31.141 31.823 0.025 0.000 0.682 632 V HN 0.178 nan 8.190 nan 0.000 0.463 633 V N 0.401 120.338 119.914 0.038 0.000 2.453 633 V HA -0.292 3.828 4.120 -0.000 0.000 0.252 633 V C 2.555 178.676 176.094 0.044 0.000 1.068 633 V CA 2.628 64.945 62.300 0.028 0.000 1.070 633 V CB -1.030 30.791 31.823 -0.003 0.000 0.664 633 V HN 0.617 nan 8.190 nan 0.000 0.461 634 T N -0.597 113.993 114.554 0.059 0.000 2.639 634 T HA -0.132 4.217 4.350 -0.000 0.000 0.261 634 T C 2.141 176.871 174.700 0.051 0.000 1.053 634 T CA 1.102 63.234 62.100 0.053 0.000 1.158 634 T CB -0.227 68.664 68.868 0.039 0.000 0.863 634 T HN 0.286 nan 8.240 nan 0.000 0.413 635 R N 0.797 121.341 120.500 0.074 0.000 2.105 635 R HA -0.061 4.279 4.340 -0.000 0.000 0.239 635 R C 2.338 178.672 176.300 0.056 0.000 1.135 635 R CA 1.306 57.446 56.100 0.066 0.000 0.967 635 R CB -0.366 29.987 30.300 0.090 0.000 0.861 635 R HN 0.413 nan 8.270 nan 0.000 0.442 636 E N 0.193 120.425 120.200 0.053 0.000 2.122 636 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 636 E C 1.268 177.897 176.600 0.048 0.000 0.977 636 E CA 1.047 57.476 56.400 0.048 0.000 0.820 636 E CB 0.345 30.074 29.700 0.049 0.000 0.770 636 E HN -0.041 nan 8.360 nan 0.000 0.462 637 K N -1.031 119.396 120.400 0.045 0.000 2.380 637 K HA 0.352 4.672 4.320 -0.000 0.000 0.198 637 K C 0.147 176.770 176.600 0.039 0.000 1.070 637 K CA 0.669 56.981 56.287 0.042 0.000 1.040 637 K CB 1.694 34.217 32.500 0.038 0.000 0.903 637 K HN 0.157 nan 8.250 nan 0.000 0.549 638 G N 1.864 110.688 108.800 0.039 0.000 2.362 638 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.656 638 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.656 638 G C -2.610 172.310 174.900 0.032 0.000 1.376 638 G CA -0.574 44.547 45.100 0.035 0.000 0.971 638 G HN -0.226 nan 8.290 nan 0.000 0.636 639 P HA -0.065 nan 4.420 nan 0.000 0.220 639 P C 1.325 178.641 177.300 0.026 0.000 1.152 639 P CA 1.031 64.140 63.100 0.015 0.000 0.812 639 P CB 0.278 31.974 31.700 -0.007 0.000 0.792 640 Q N 0.052 119.866 119.800 0.024 0.000 2.119 640 Q HA -0.042 4.298 4.340 -0.000 0.000 0.201 640 Q C 2.246 178.272 176.000 0.043 0.000 0.972 640 Q CA 1.050 56.869 55.803 0.027 0.000 0.847 640 Q CB -0.744 28.005 28.738 0.019 0.000 0.903 640 Q HN 0.127 nan 8.270 nan 0.000 0.433 641 V N -0.280 119.661 119.914 0.045 0.000 2.548 641 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 641 V C 2.430 178.566 176.094 0.069 0.000 1.055 641 V CA 1.391 63.721 62.300 0.050 0.000 1.065 641 V CB -0.454 31.394 31.823 0.041 0.000 0.681 641 V HN 0.429 nan 8.190 nan 0.000 0.462 642 C N 0.327 119.678 119.300 0.086 0.000 2.450 642 C HA 0.047 4.507 4.460 -0.000 0.000 0.279 642 C C 3.015 178.167 174.990 0.269 0.000 1.335 642 C CA 0.599 59.695 59.018 0.131 0.000 1.749 642 C CB -1.116 26.709 27.740 0.141 0.000 1.963 642 C HN 0.573 nan 8.230 nan 0.000 0.501 643 A N 0.192 123.132 122.820 0.201 0.000 1.902 643 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 643 A C 2.108 179.824 177.584 0.218 0.000 1.181 643 A CA 2.056 54.212 52.037 0.198 0.000 0.623 643 A CB -0.572 18.466 19.000 0.063 0.000 0.818 643 A HN 0.536 nan 8.150 nan 0.000 0.443 644 K N -0.490 119.996 120.400 0.143 0.000 2.148 644 K HA -0.011 4.309 4.320 -0.000 0.000 0.204 644 K C 1.659 178.329 176.600 0.117 0.000 1.050 644 K CA 0.968 57.323 56.287 0.113 0.000 0.942 644 K CB -0.525 32.019 32.500 0.074 0.000 0.724 644 K HN 0.355 nan 8.250 nan 0.000 0.446 645 L N -0.191 121.094 121.223 0.103 0.000 2.083 645 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 645 L C 1.661 178.524 176.870 -0.012 0.000 1.083 645 L CA 1.555 56.400 54.840 0.008 0.000 0.752 645 L CB -0.432 41.578 42.059 -0.080 0.000 0.899 645 L HN 0.113 nan 8.230 nan 0.000 0.433 646 F N -0.141 119.817 119.950 0.014 0.000 2.046 646 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 646 F C 2.500 178.314 175.800 0.023 0.000 1.123 646 F CA 1.755 59.764 58.000 0.016 0.000 1.199 646 F CB -1.454 37.559 39.000 0.023 0.000 0.972 646 F HN 0.174 nan 8.300 nan 0.000 0.474 647 G N 0.055 109.001 108.800 0.243 0.000 2.586 647 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 647 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 647 G C 1.583 176.548 174.900 0.109 0.000 1.216 647 G CA 1.497 46.690 45.100 0.155 0.000 0.786 647 G HN 0.262 nan 8.290 nan 0.000 0.583 648 N N 0.905 119.657 118.700 0.087 0.000 2.005 648 N HA -0.138 4.602 4.740 -0.000 0.000 0.199 648 N C 2.258 177.781 175.510 0.021 0.000 1.054 648 N CA 1.505 54.590 53.050 0.058 0.000 0.864 648 N CB -0.697 37.817 38.487 0.044 0.000 1.063 648 N HN 0.426 nan 8.380 nan 0.000 0.428 649 I N 1.285 121.848 120.570 -0.012 0.000 2.143 649 I HA -0.393 3.776 4.170 -0.000 0.000 0.245 649 I C 2.316 178.416 176.117 -0.028 0.000 1.068 649 I CA 1.530 62.802 61.300 -0.047 0.000 1.326 649 I CB -0.467 37.477 38.000 -0.095 0.000 1.028 649 I HN 0.292 nan 8.210 nan 0.000 0.412 650 Q N 0.892 120.698 119.800 0.010 0.000 1.993 650 Q HA -0.233 4.106 4.340 -0.000 0.000 0.202 650 Q C 2.235 178.218 176.000 -0.029 0.000 0.984 650 Q CA 1.552 57.362 55.803 0.012 0.000 0.837 650 Q CB -0.310 28.464 28.738 0.061 0.000 0.902 650 Q HN 0.482 nan 8.270 nan 0.000 0.423 651 K N 0.238 120.628 120.400 -0.016 0.000 2.173 651 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 651 K C 2.046 178.511 176.600 -0.224 0.000 1.046 651 K CA 1.429 57.650 56.287 -0.110 0.000 0.929 651 K CB -0.175 32.403 32.500 0.130 0.000 0.720 651 K HN 0.035 nan 8.250 nan 0.000 0.453 652 V N 0.405 120.265 119.914 -0.089 0.000 2.251 652 V HA -0.185 3.935 4.120 -0.000 0.000 0.237 652 V C 2.193 178.294 176.094 0.011 0.000 1.040 652 V CA 1.289 63.548 62.300 -0.068 0.000 1.005 652 V CB -0.267 31.522 31.823 -0.057 0.000 0.645 652 V HN 0.026 nan 8.190 nan 0.000 0.458 653 V N 1.062 120.966 119.914 -0.017 0.000 2.380 653 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 653 V C 2.342 178.496 176.094 0.100 0.000 1.063 653 V CA 2.211 64.520 62.300 0.015 0.000 1.055 653 V CB -0.977 30.816 31.823 -0.052 0.000 0.657 653 V HN 0.546 nan 8.190 nan 0.000 0.455 654 N N -0.281 118.425 118.700 0.010 0.000 2.058 654 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 654 N C 1.769 177.236 175.510 -0.070 0.000 1.037 654 N CA 1.892 54.921 53.050 -0.036 0.000 0.848 654 N CB -0.478 37.951 38.487 -0.097 0.000 1.021 654 N HN 0.543 nan 8.380 nan 0.000 0.422 655 F N 0.399 120.168 119.950 -0.303 0.000 2.065 655 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 655 F C 2.447 178.176 175.800 -0.117 0.000 1.112 655 F CA 1.788 59.565 58.000 -0.372 0.000 1.212 655 F CB -0.622 37.976 39.000 -0.671 0.000 0.975 655 F HN 0.174 nan 8.300 nan 0.000 0.476 656 W N 0.817 122.159 121.300 0.071 0.000 2.318 656 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 656 W C 2.179 178.656 176.519 -0.071 0.000 1.221 656 W CA 2.084 59.472 57.345 0.071 0.000 1.266 656 W CB -0.653 28.862 29.460 0.092 0.000 1.150 656 W HN 0.212 nan 8.180 nan 0.000 0.496 657 L N 0.775 122.122 121.223 0.206 0.000 2.046 657 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 657 L C 2.458 179.166 176.870 -0.270 0.000 1.077 657 L CA 2.144 56.980 54.840 -0.006 0.000 0.747 657 L CB -1.510 40.623 42.059 0.122 0.000 0.896 657 L HN 0.214 nan 8.230 nan 0.000 0.432 658 L N -0.969 120.030 121.223 -0.373 0.000 2.137 658 L HA -0.289 4.050 4.340 -0.000 0.000 0.213 658 L C 2.314 178.793 176.870 -0.653 0.000 1.085 658 L CA 1.993 56.510 54.840 -0.538 0.000 0.760 658 L CB -0.753 40.844 42.059 -0.770 0.000 0.893 658 L HN 0.455 nan 8.230 nan 0.000 0.434 659 H N -1.976 116.826 119.070 -0.446 0.000 2.486 659 H HA 0.078 4.634 4.556 -0.000 0.000 0.287 659 H C 1.937 177.019 175.328 -0.411 0.000 1.010 659 H CA 1.107 56.907 56.048 -0.413 0.000 1.324 659 H CB -0.122 29.368 29.762 -0.452 0.000 1.446 659 H HN 0.503 nan 8.280 nan 0.000 0.537 660 N N 0.489 118.889 118.700 -0.500 0.000 2.300 660 N HA -0.010 4.730 4.740 -0.000 0.000 0.179 660 N C 0.649 176.023 175.510 -0.226 0.000 1.016 660 N CA 0.973 53.733 53.050 -0.484 0.000 0.876 660 N CB 0.607 38.542 38.487 -0.920 0.000 0.979 660 N HN 0.388 nan 8.380 nan 0.000 0.432 661 G N -0.747 107.947 108.800 -0.176 0.000 2.829 661 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.628 661 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.628 661 G C -0.830 174.134 174.900 0.107 0.000 1.412 661 G CA -0.113 44.956 45.100 -0.052 0.000 0.864 661 G HN 0.467 nan 8.290 nan 0.000 0.544 662 F N -0.059 119.856 119.950 -0.058 0.000 2.686 662 F HA 0.587 5.114 4.527 -0.000 0.000 0.315 662 F C -0.067 175.721 175.800 -0.019 0.000 1.088 662 F CA 0.460 58.447 58.000 -0.023 0.000 1.034 662 F CB 1.260 40.261 39.000 0.001 0.000 1.280 662 F HN 1.356 nan 8.300 nan 0.000 0.463 663 S N 2.372 117.795 115.700 -0.461 0.000 3.144 663 S HA 0.897 5.367 4.470 -0.000 0.000 0.325 663 S C -1.405 173.045 174.600 -0.250 0.000 1.161 663 S CA -0.093 57.994 58.200 -0.190 0.000 0.920 663 S CB 1.966 65.082 63.200 -0.140 0.000 1.340 663 S HN 0.928 nan 8.310 nan 0.000 0.681 664 T N -0.421 114.066 114.554 -0.112 0.000 3.128 664 T HA 0.610 4.960 4.350 -0.000 0.000 0.363 664 T C -0.879 173.795 174.700 -0.043 0.000 1.610 664 T CA 0.099 62.159 62.100 -0.067 0.000 1.126 664 T CB 0.971 69.856 68.868 0.028 0.000 1.416 664 T HN 1.203 nan 8.240 nan 0.000 0.480 665 G N 1.544 110.320 108.800 -0.040 0.000 2.677 665 G HA2 0.526 4.486 3.960 -0.000 0.000 0.291 665 G HA3 0.526 4.486 3.960 -0.000 0.000 0.291 665 G C 0.694 175.583 174.900 -0.017 0.000 1.435 665 G CA -0.599 44.485 45.100 -0.027 0.000 0.826 665 G HN 0.720 nan 8.290 nan 0.000 0.491 666 I N 0.401 120.964 120.570 -0.011 0.000 2.236 666 I HA -0.078 4.091 4.170 -0.000 0.000 0.249 666 I C 2.729 178.843 176.117 -0.005 0.000 1.102 666 I CA 1.808 63.106 61.300 -0.003 0.000 1.365 666 I CB -1.225 36.775 38.000 -0.000 0.000 1.051 666 I HN 0.586 nan 8.210 nan 0.000 0.420 667 G N 0.598 109.391 108.800 -0.012 0.000 2.581 667 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.223 667 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.223 667 G C 1.266 176.158 174.900 -0.012 0.000 1.094 667 G CA 1.371 46.463 45.100 -0.014 0.000 0.736 667 G HN 0.528 nan 8.290 nan 0.000 0.588 668 D N -0.367 120.025 120.400 -0.013 0.000 2.350 668 D HA -0.022 4.617 4.640 -0.000 0.000 0.213 668 D C 2.352 178.653 176.300 0.002 0.000 1.031 668 D CA 1.254 55.249 54.000 -0.009 0.000 0.861 668 D CB 0.083 40.876 40.800 -0.013 0.000 0.926 668 D HN 0.504 nan 8.370 nan 0.000 0.520 669 T N -1.520 113.037 114.554 0.005 0.000 3.086 669 T HA 0.240 4.589 4.350 -0.000 0.000 0.250 669 T C 0.987 175.693 174.700 0.011 0.000 1.074 669 T CA -0.214 61.894 62.100 0.012 0.000 0.988 669 T CB 0.170 69.052 68.868 0.024 0.000 0.988 669 T HN -0.036 nan 8.240 nan 0.000 0.530 670 I N 2.076 122.650 120.570 0.007 0.000 2.353 670 I HA 0.590 4.760 4.170 -0.000 0.000 0.293 670 I C 0.282 176.403 176.117 0.006 0.000 0.992 670 I CA -1.168 60.136 61.300 0.007 0.000 1.268 670 I CB 1.352 39.355 38.000 0.005 0.000 1.387 670 I HN 0.165 nan 8.210 nan 0.000 0.478 671 A N 4.271 127.096 122.820 0.007 0.000 2.292 671 A HA 0.298 4.617 4.320 -0.000 0.000 0.319 671 A C -0.381 177.209 177.584 0.011 0.000 1.206 671 A CA -0.609 51.433 52.037 0.009 0.000 0.835 671 A CB 0.665 19.669 19.000 0.008 0.000 1.164 671 A HN 0.795 nan 8.150 nan 0.000 0.505 672 D N 2.571 122.979 120.400 0.012 0.000 2.772 672 D HA 0.125 4.765 4.640 -0.000 0.000 0.227 672 D C 1.680 177.988 176.300 0.013 0.000 1.114 672 D CA 1.679 55.687 54.000 0.013 0.000 0.832 672 D CB 0.500 41.309 40.800 0.015 0.000 1.154 672 D HN 0.671 nan 8.370 nan 0.000 0.514 673 G N 5.078 113.886 108.800 0.012 0.000 2.816 673 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.229 673 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.229 673 G C -0.508 174.400 174.900 0.014 0.000 1.158 673 G CA 1.138 46.245 45.100 0.012 0.000 0.761 673 G HN 0.681 nan 8.290 nan 0.000 0.636 674 P HA 0.022 nan 4.420 nan 0.000 0.221 674 P C 1.679 178.990 177.300 0.018 0.000 1.155 674 P CA 1.696 64.805 63.100 0.016 0.000 0.812 674 P CB -0.268 31.441 31.700 0.015 0.000 0.801 675 T N 0.048 114.614 114.554 0.019 0.000 2.869 675 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 675 T C 1.856 176.570 174.700 0.022 0.000 1.082 675 T CA 1.157 63.271 62.100 0.022 0.000 1.123 675 T CB -0.415 68.467 68.868 0.022 0.000 0.856 675 T HN 0.007 nan 8.240 nan 0.000 0.499 676 M N 0.393 120.005 119.600 0.020 0.000 2.193 676 M HA 0.115 4.595 4.480 -0.000 0.000 0.265 676 M C 2.380 178.694 176.300 0.023 0.000 1.071 676 M CA 1.132 56.443 55.300 0.020 0.000 1.140 676 M CB -0.875 31.735 32.600 0.017 0.000 1.369 676 M HN 0.165 nan 8.290 nan 0.000 0.423 677 R N 0.666 121.179 120.500 0.022 0.000 2.082 677 R HA -0.207 4.132 4.340 -0.000 0.000 0.234 677 R C 2.000 178.315 176.300 0.025 0.000 1.136 677 R CA 2.057 58.170 56.100 0.023 0.000 0.935 677 R CB -0.331 29.981 30.300 0.020 0.000 0.842 677 R HN 0.386 nan 8.270 nan 0.000 0.430 678 E N -0.035 120.179 120.200 0.024 0.000 2.333 678 E HA -0.208 4.142 4.350 -0.000 0.000 0.200 678 E C 1.641 178.261 176.600 0.032 0.000 1.010 678 E CA 1.311 57.727 56.400 0.026 0.000 0.841 678 E CB -0.003 29.712 29.700 0.026 0.000 0.757 678 E HN 0.484 nan 8.360 nan 0.000 0.508 679 I N -0.923 119.667 120.570 0.034 0.000 2.628 679 I HA -0.122 4.048 4.170 -0.000 0.000 0.255 679 I C 2.317 178.461 176.117 0.046 0.000 1.119 679 I CA 0.614 61.939 61.300 0.041 0.000 1.448 679 I CB -0.223 37.798 38.000 0.035 0.000 1.133 679 I HN 0.032 nan 8.210 nan 0.000 0.438 680 T N 1.432 116.010 114.554 0.040 0.000 2.665 680 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 680 T C 1.699 176.428 174.700 0.048 0.000 1.035 680 T CA 2.111 64.238 62.100 0.045 0.000 1.151 680 T CB -0.326 68.565 68.868 0.037 0.000 0.862 680 T HN 0.564 nan 8.240 nan 0.000 0.438 681 E N 0.285 120.508 120.200 0.038 0.000 2.047 681 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 681 E C 2.266 178.887 176.600 0.035 0.000 0.987 681 E CA 1.419 57.839 56.400 0.033 0.000 0.799 681 E CB -0.794 28.921 29.700 0.025 0.000 0.752 681 E HN 0.219 nan 8.360 nan 0.000 0.449 682 T N 1.151 115.728 114.554 0.038 0.000 2.737 682 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 682 T C 1.822 176.552 174.700 0.051 0.000 1.040 682 T CA 1.471 63.595 62.100 0.039 0.000 1.142 682 T CB -0.267 68.628 68.868 0.046 0.000 0.861 682 T HN 0.188 nan 8.240 nan 0.000 0.456 683 I N 0.781 121.396 120.570 0.075 0.000 2.133 683 I HA -0.137 4.033 4.170 -0.000 0.000 0.238 683 I C 2.853 179.011 176.117 0.069 0.000 1.074 683 I CA 1.010 62.376 61.300 0.109 0.000 1.342 683 I CB -0.743 37.354 38.000 0.161 0.000 1.053 683 I HN 0.197 nan 8.210 nan 0.000 0.404 684 A N 1.978 124.836 122.820 0.063 0.000 1.870 684 A HA -0.360 3.960 4.320 -0.000 0.000 0.219 684 A C 2.105 179.704 177.584 0.024 0.000 1.286 684 A CA 2.984 55.049 52.037 0.045 0.000 0.682 684 A CB -1.256 17.768 19.000 0.040 0.000 0.844 684 A HN 0.645 nan 8.150 nan 0.000 0.460 685 E N 0.304 120.514 120.200 0.015 0.000 2.130 685 E HA -0.054 4.296 4.350 -0.000 0.000 0.196 685 E C 1.766 178.358 176.600 -0.014 0.000 0.998 685 E CA 1.801 58.201 56.400 -0.000 0.000 0.806 685 E CB -0.799 28.898 29.700 -0.006 0.000 0.738 685 E HN 0.598 nan 8.360 nan 0.000 0.459 686 A N 0.931 123.741 122.820 -0.016 0.000 2.067 686 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 686 A C 1.936 179.500 177.584 -0.033 0.000 1.158 686 A CA 1.420 53.435 52.037 -0.036 0.000 0.661 686 A CB -0.325 18.654 19.000 -0.035 0.000 0.801 686 A HN 0.214 nan 8.150 nan 0.000 0.452 687 K N -0.268 120.118 120.400 -0.023 0.000 2.116 687 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 687 K C 1.923 178.533 176.600 0.017 0.000 1.052 687 K CA 1.050 57.326 56.287 -0.019 0.000 0.952 687 K CB -0.083 32.421 32.500 0.006 0.000 0.729 687 K HN 0.377 nan 8.250 nan 0.000 0.446 688 K N 1.590 121.999 120.400 0.016 0.000 2.002 688 K HA -0.162 4.157 4.320 -0.000 0.000 0.209 688 K C 2.123 178.744 176.600 0.036 0.000 1.048 688 K CA 1.294 57.595 56.287 0.023 0.000 0.930 688 K CB -0.075 32.431 32.500 0.010 0.000 0.714 688 K HN -0.001 nan 8.250 nan 0.000 0.438 689 K N 0.904 121.311 120.400 0.011 0.000 2.242 689 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 689 K C 1.745 178.443 176.600 0.165 0.000 1.045 689 K CA 1.449 57.737 56.287 0.003 0.000 0.930 689 K CB 0.041 32.454 32.500 -0.144 0.000 0.726 689 K HN -0.012 nan 8.250 nan 0.000 0.462 690 V N 0.799 120.816 119.914 0.171 0.000 2.331 690 V HA -0.187 3.932 4.120 -0.000 0.000 0.242 690 V C 2.128 178.328 176.094 0.177 0.000 1.034 690 V CA 1.142 63.563 62.300 0.202 0.000 1.027 690 V CB -0.351 31.531 31.823 0.099 0.000 0.667 690 V HN 0.338 nan 8.190 nan 0.000 0.457 691 L N 0.765 122.058 121.223 0.116 0.000 2.089 691 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 691 L C 1.799 178.726 176.870 0.095 0.000 1.079 691 L CA 2.102 56.999 54.840 0.095 0.000 0.758 691 L CB -1.033 41.062 42.059 0.059 0.000 0.891 691 L HN 0.356 nan 8.230 nan 0.000 0.433 692 D N -0.655 119.804 120.400 0.098 0.000 2.127 692 D HA -0.186 4.454 4.640 -0.000 0.000 0.206 692 D C 2.189 178.562 176.300 0.122 0.000 0.989 692 D CA 2.011 56.064 54.000 0.088 0.000 0.877 692 D CB -0.667 40.181 40.800 0.079 0.000 1.042 692 D HN 0.152 nan 8.370 nan 0.000 0.455 693 V N 0.683 120.715 119.914 0.197 0.000 2.764 693 V HA -0.269 3.850 4.120 -0.000 0.000 0.261 693 V C 2.244 178.492 176.094 0.257 0.000 1.108 693 V CA 1.986 64.437 62.300 0.251 0.000 1.129 693 V CB -0.846 31.200 31.823 0.372 0.000 0.701 693 V HN 0.274 nan 8.190 nan 0.000 0.495 694 T N -0.826 113.873 114.554 0.241 0.000 2.857 694 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 694 T C 1.942 176.577 174.700 -0.109 0.000 1.048 694 T CA 1.218 63.374 62.100 0.094 0.000 1.139 694 T CB -0.067 68.906 68.868 0.174 0.000 0.874 694 T HN 0.524 nan 8.240 nan 0.000 0.455 695 K N 0.948 121.329 120.400 -0.031 0.000 2.076 695 K HA 0.031 4.351 4.320 -0.000 0.000 0.204 695 K C 2.255 178.817 176.600 -0.064 0.000 1.051 695 K CA 0.710 56.963 56.287 -0.057 0.000 0.949 695 K CB -0.081 32.408 32.500 -0.019 0.000 0.726 695 K HN 0.349 nan 8.250 nan 0.000 0.443 696 E N 0.659 120.846 120.200 -0.022 0.000 2.448 696 E HA -0.187 4.163 4.350 -0.000 0.000 0.203 696 E C 1.049 177.620 176.600 -0.049 0.000 1.046 696 E CA 0.841 57.234 56.400 -0.011 0.000 0.871 696 E CB 0.108 29.831 29.700 0.037 0.000 0.790 696 E HN 0.324 nan 8.360 nan 0.000 0.545 697 A N -0.341 122.402 122.820 -0.129 0.000 2.358 697 A HA 0.133 4.453 4.320 -0.000 0.000 0.223 697 A C 1.645 179.087 177.584 -0.236 0.000 1.218 697 A CA -0.216 51.698 52.037 -0.205 0.000 0.942 697 A CB 0.343 19.109 19.000 -0.389 0.000 1.005 697 A HN 0.184 nan 8.150 nan 0.000 0.514 698 Q N -0.627 119.045 119.800 -0.213 0.000 2.354 698 Q HA 0.204 4.543 4.340 -0.000 0.000 0.203 698 Q C 2.014 177.947 176.000 -0.112 0.000 0.933 698 Q CA 0.765 56.458 55.803 -0.183 0.000 0.901 698 Q CB 0.039 28.674 28.738 -0.173 0.000 1.007 698 Q HN 0.618 nan 8.270 nan 0.000 0.495 699 A N 1.115 123.883 122.820 -0.087 0.000 2.021 699 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 699 A C 0.989 178.543 177.584 -0.050 0.000 1.163 699 A CA 1.062 53.066 52.037 -0.055 0.000 0.676 699 A CB 0.015 18.992 19.000 -0.039 0.000 0.818 699 A HN 0.483 nan 8.150 nan 0.000 0.453 700 N N -2.478 116.186 118.700 -0.060 0.000 3.041 700 N HA -0.119 4.621 4.740 -0.000 0.000 0.238 700 N C -0.419 175.074 175.510 -0.028 0.000 1.005 700 N CA 0.842 53.864 53.050 -0.048 0.000 0.919 700 N CB -2.123 36.341 38.487 -0.038 0.000 1.104 700 N HN 0.346 nan 8.380 nan 0.000 0.551 701 L N 0.433 121.641 121.223 -0.025 0.000 2.719 701 L HA 0.472 4.811 4.340 -0.000 0.000 0.236 701 L C 0.167 177.039 176.870 0.003 0.000 1.285 701 L CA -0.030 54.806 54.840 -0.008 0.000 1.222 701 L CB -0.104 41.953 42.059 -0.004 0.000 1.493 701 L HN 0.143 nan 8.230 nan 0.000 0.415 702 L N 0.020 121.246 121.223 0.004 0.000 2.415 702 L HA 0.561 4.900 4.340 -0.000 0.000 0.256 702 L C -0.450 176.435 176.870 0.026 0.000 1.010 702 L CA -0.332 54.520 54.840 0.021 0.000 0.826 702 L CB 3.319 45.392 42.059 0.023 0.000 1.405 702 L HN 0.115 nan 8.230 nan 0.000 0.410 703 T N 1.839 116.416 114.554 0.039 0.000 2.756 703 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 703 T C 0.085 174.814 174.700 0.047 0.000 0.985 703 T CA -0.371 61.753 62.100 0.040 0.000 0.955 703 T CB 1.288 70.182 68.868 0.044 0.000 0.930 703 T HN 0.583 nan 8.240 nan 0.000 0.451 704 A N 4.684 127.530 122.820 0.042 0.000 2.475 704 A HA 0.232 4.552 4.320 -0.000 0.000 0.293 704 A C 0.574 178.193 177.584 0.057 0.000 1.252 704 A CA -0.445 51.618 52.037 0.043 0.000 0.920 704 A CB -0.335 18.684 19.000 0.032 0.000 1.125 704 A HN 0.793 nan 8.150 nan 0.000 0.528 705 K N 2.887 123.324 120.400 0.062 0.000 2.437 705 K HA -0.062 4.258 4.320 -0.000 0.000 0.277 705 K C 0.064 176.721 176.600 0.095 0.000 1.073 705 K CA 0.059 56.396 56.287 0.082 0.000 1.105 705 K CB 0.027 32.570 32.500 0.072 0.000 0.881 705 K HN 0.813 nan 8.250 nan 0.000 0.475 706 H N 1.789 120.876 119.070 0.028 0.000 3.188 706 H HA -0.168 4.388 4.556 -0.000 0.000 0.255 706 H C 1.309 176.652 175.328 0.026 0.000 0.815 706 H CA 2.078 58.140 56.048 0.024 0.000 1.436 706 H CB -0.354 29.422 29.762 0.023 0.000 1.378 706 H HN 0.878 nan 8.280 nan 0.000 0.510 707 G N 3.196 111.782 108.800 -0.356 0.000 2.238 707 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.217 707 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.217 707 G C 0.281 175.115 174.900 -0.110 0.000 0.996 707 G CA 0.140 45.079 45.100 -0.269 0.000 0.632 707 G HN 0.633 nan 8.290 nan 0.000 0.503 708 M N 0.963 120.529 119.600 -0.057 0.000 2.706 708 M HA 0.548 5.027 4.480 -0.000 0.000 0.304 708 M C 0.395 176.689 176.300 -0.010 0.000 1.217 708 M CA -0.462 54.825 55.300 -0.022 0.000 0.922 708 M CB 1.663 34.264 32.600 0.001 0.000 1.637 708 M HN 0.068 nan 8.290 nan 0.000 0.492 709 T N 0.879 115.434 114.554 0.003 0.000 2.874 709 T HA 0.272 4.621 4.350 -0.000 0.000 0.281 709 T C 1.223 175.940 174.700 0.027 0.000 0.994 709 T CA -0.668 61.439 62.100 0.012 0.000 1.015 709 T CB 0.867 69.746 68.868 0.017 0.000 1.028 709 T HN 0.379 nan 8.240 nan 0.000 0.523 710 L N 0.975 122.214 121.223 0.026 0.000 2.046 710 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 710 L C 2.589 179.499 176.870 0.068 0.000 1.077 710 L CA 1.540 56.401 54.840 0.034 0.000 0.747 710 L CB -0.992 41.071 42.059 0.007 0.000 0.896 710 L HN 0.412 nan 8.230 nan 0.000 0.432 711 R N 0.407 120.944 120.500 0.063 0.000 2.088 711 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 711 R C 2.295 178.679 176.300 0.140 0.000 1.136 711 R CA 1.553 57.722 56.100 0.116 0.000 0.926 711 R CB -0.537 29.815 30.300 0.087 0.000 0.837 711 R HN 0.456 nan 8.270 nan 0.000 0.429 712 E N -0.515 119.727 120.200 0.070 0.000 2.065 712 E HA -0.226 4.124 4.350 -0.000 0.000 0.201 712 E C 2.026 178.641 176.600 0.024 0.000 1.016 712 E CA 1.816 58.236 56.400 0.033 0.000 0.818 712 E CB -0.214 29.492 29.700 0.011 0.000 0.749 712 E HN 0.248 nan 8.360 nan 0.000 0.453 713 S N 0.576 116.301 115.700 0.043 0.000 2.383 713 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 713 S C 1.530 176.156 174.600 0.042 0.000 1.030 713 S CA 1.033 59.254 58.200 0.034 0.000 1.002 713 S CB -0.350 62.881 63.200 0.052 0.000 0.829 713 S HN 0.277 nan 8.310 nan 0.000 0.467 714 F N 2.868 122.782 119.950 -0.059 0.000 2.010 714 F HA -0.127 4.400 4.527 -0.000 0.000 0.296 714 F C 2.326 178.048 175.800 -0.129 0.000 1.146 714 F CA 1.652 59.602 58.000 -0.083 0.000 1.181 714 F CB -0.823 38.141 39.000 -0.060 0.000 0.965 714 F HN 0.061 nan 8.300 nan 0.000 0.480 715 E N 0.421 120.371 120.200 -0.417 0.000 2.048 715 E HA -0.323 4.027 4.350 -0.000 0.000 0.202 715 E C 2.153 178.489 176.600 -0.440 0.000 1.021 715 E CA 1.724 57.807 56.400 -0.528 0.000 0.825 715 E CB -1.124 28.453 29.700 -0.204 0.000 0.756 715 E HN 0.604 nan 8.360 nan 0.000 0.454 716 D N 0.715 120.956 120.400 -0.266 0.000 2.191 716 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 716 D C 1.357 177.452 176.300 -0.342 0.000 1.003 716 D CA 1.192 55.058 54.000 -0.224 0.000 0.867 716 D CB -0.017 40.708 40.800 -0.124 0.000 0.926 716 D HN 0.123 nan 8.370 nan 0.000 0.450 717 N N 0.347 118.748 118.700 -0.500 0.000 2.092 717 N HA -0.122 4.618 4.740 -0.000 0.000 0.189 717 N C 2.296 176.937 175.510 -1.447 0.000 1.040 717 N CA 1.211 53.710 53.050 -0.919 0.000 0.845 717 N CB -0.824 37.162 38.487 -0.834 0.000 1.017 717 N HN 0.146 nan 8.380 nan 0.000 0.426 718 V N 2.159 121.374 119.914 -1.165 0.000 2.230 718 V HA -0.306 3.814 4.120 -0.000 0.000 0.256 718 V C 2.650 178.427 176.094 -0.529 0.000 1.064 718 V CA 2.046 63.842 62.300 -0.841 0.000 1.050 718 V CB -1.194 30.172 31.823 -0.762 0.000 0.666 718 V HN 0.053 nan 8.190 nan 0.000 0.457 719 V N 0.122 119.792 119.914 -0.407 0.000 2.220 719 V HA -0.381 3.738 4.120 -0.000 0.000 0.250 719 V C 2.558 178.572 176.094 -0.133 0.000 1.056 719 V CA 2.790 64.958 62.300 -0.219 0.000 1.016 719 V CB -0.920 30.800 31.823 -0.172 0.000 0.639 719 V HN 0.528 nan 8.190 nan 0.000 0.446 720 R N -0.747 119.672 120.500 -0.136 0.000 2.211 720 R HA -0.161 4.179 4.340 -0.000 0.000 0.240 720 R C 2.251 178.674 176.300 0.205 0.000 1.144 720 R CA 1.683 57.797 56.100 0.024 0.000 0.992 720 R CB -0.288 30.039 30.300 0.045 0.000 0.869 720 R HN 0.615 nan 8.270 nan 0.000 0.462 721 F N 0.053 119.948 119.950 -0.091 0.000 2.128 721 F HA -0.159 4.368 4.527 -0.000 0.000 0.295 721 F C 2.187 177.916 175.800 -0.118 0.000 1.100 721 F CA 0.318 58.262 58.000 -0.094 0.000 1.260 721 F CB -0.139 38.794 39.000 -0.111 0.000 1.009 721 F HN 0.006 nan 8.300 nan 0.000 0.476 722 L N 0.037 121.266 121.223 0.011 0.000 2.046 722 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 722 L C 2.187 179.072 176.870 0.025 0.000 1.077 722 L CA 0.887 55.610 54.840 -0.195 0.000 0.747 722 L CB -0.719 41.074 42.059 -0.444 0.000 0.896 722 L HN 0.154 nan 8.230 nan 0.000 0.432 723 N N 0.322 119.068 118.700 0.076 0.000 2.028 723 N HA -0.202 4.538 4.740 -0.000 0.000 0.194 723 N C 1.697 177.276 175.510 0.115 0.000 1.050 723 N CA 1.435 54.556 53.050 0.119 0.000 0.848 723 N CB -0.341 38.196 38.487 0.083 0.000 1.038 723 N HN 0.371 nan 8.380 nan 0.000 0.423 724 E N 0.824 121.080 120.200 0.093 0.000 2.187 724 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 724 E C 1.833 178.478 176.600 0.076 0.000 1.004 724 E CA 1.131 57.576 56.400 0.075 0.000 0.813 724 E CB -0.095 29.642 29.700 0.060 0.000 0.736 724 E HN 0.380 nan 8.360 nan 0.000 0.468 725 A N 1.620 124.488 122.820 0.081 0.000 1.841 725 A HA -0.198 4.121 4.320 -0.000 0.000 0.214 725 A C 2.126 179.792 177.584 0.137 0.000 1.195 725 A CA 1.473 53.562 52.037 0.086 0.000 0.611 725 A CB -0.511 18.527 19.000 0.063 0.000 0.835 725 A HN 0.108 nan 8.150 nan 0.000 0.443 726 R N -0.168 120.448 120.500 0.193 0.000 2.094 726 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 726 R C 1.644 178.047 176.300 0.172 0.000 1.137 726 R CA 2.330 58.544 56.100 0.190 0.000 0.943 726 R CB -0.654 29.769 30.300 0.205 0.000 0.850 726 R HN 0.486 nan 8.270 nan 0.000 0.433 727 D N 0.480 120.993 120.400 0.190 0.000 2.137 727 D HA -0.245 4.395 4.640 -0.000 0.000 0.189 727 D C 1.885 178.339 176.300 0.257 0.000 0.998 727 D CA 2.311 56.465 54.000 0.256 0.000 0.839 727 D CB -0.288 40.600 40.800 0.147 0.000 0.962 727 D HN 0.509 nan 8.370 nan 0.000 0.446 728 K N 0.796 121.286 120.400 0.150 0.000 2.097 728 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 728 K C 2.163 178.843 176.600 0.133 0.000 1.049 728 K CA 1.437 57.799 56.287 0.125 0.000 0.933 728 K CB -0.273 32.270 32.500 0.071 0.000 0.717 728 K HN 0.073 nan 8.250 nan 0.000 0.442 729 A N 1.892 124.784 122.820 0.120 0.000 1.873 729 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 729 A C 2.548 180.183 177.584 0.085 0.000 1.193 729 A CA 2.181 54.275 52.037 0.094 0.000 0.629 729 A CB -1.635 17.422 19.000 0.096 0.000 0.826 729 A HN 0.579 nan 8.150 nan 0.000 0.447 730 G N -1.145 107.717 108.800 0.103 0.000 2.484 730 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 730 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 730 G C 1.662 176.628 174.900 0.109 0.000 1.219 730 G CA 0.972 46.084 45.100 0.021 0.000 0.791 730 G HN 0.541 nan 8.290 nan 0.000 0.550 731 R N -0.093 120.633 120.500 0.377 0.000 2.244 731 R HA -0.089 4.251 4.340 -0.000 0.000 0.252 731 R C 2.530 178.943 176.300 0.188 0.000 1.177 731 R CA 0.993 57.334 56.100 0.401 0.000 1.004 731 R CB -0.334 30.142 30.300 0.294 0.000 0.873 731 R HN 0.427 nan 8.270 nan 0.000 0.469 732 L N -0.549 120.749 121.223 0.125 0.000 1.976 732 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 732 L C 2.683 179.592 176.870 0.065 0.000 1.071 732 L CA 1.477 56.365 54.840 0.079 0.000 0.746 732 L CB -0.785 41.310 42.059 0.060 0.000 0.890 732 L HN 0.287 nan 8.230 nan 0.000 0.432 733 A N 0.099 122.946 122.820 0.045 0.000 1.859 733 A HA -0.340 3.980 4.320 -0.000 0.000 0.217 733 A C 2.220 179.824 177.584 0.034 0.000 1.198 733 A CA 2.259 54.309 52.037 0.022 0.000 0.629 733 A CB -0.926 18.066 19.000 -0.013 0.000 0.830 733 A HN 0.551 nan 8.150 nan 0.000 0.446 734 E N -0.161 120.067 120.200 0.048 0.000 2.113 734 E HA -0.265 4.085 4.350 -0.000 0.000 0.210 734 E C 1.813 178.464 176.600 0.085 0.000 1.040 734 E CA 2.799 59.249 56.400 0.084 0.000 0.847 734 E CB -0.365 29.462 29.700 0.210 0.000 0.755 734 E HN 0.504 nan 8.360 nan 0.000 0.459 735 V N 0.486 120.452 119.914 0.087 0.000 2.667 735 V HA -0.147 3.972 4.120 -0.000 0.000 0.252 735 V C 2.293 178.417 176.094 0.050 0.000 1.065 735 V CA 1.829 64.170 62.300 0.068 0.000 1.083 735 V CB -0.913 30.948 31.823 0.063 0.000 0.692 735 V HN 0.334 nan 8.190 nan 0.000 0.468 736 N N 0.687 119.414 118.700 0.045 0.000 2.550 736 N HA -0.009 4.731 4.740 -0.000 0.000 0.186 736 N C 0.446 175.974 175.510 0.029 0.000 1.110 736 N CA 0.270 53.341 53.050 0.034 0.000 0.912 736 N CB -0.009 38.496 38.487 0.029 0.000 0.968 736 N HN 0.494 nan 8.380 nan 0.000 0.448 737 L N 2.533 123.776 121.223 0.033 0.000 2.260 737 L HA 0.241 4.580 4.340 -0.000 0.000 0.289 737 L C 0.237 177.127 176.870 0.034 0.000 1.057 737 L CA -0.753 54.104 54.840 0.029 0.000 0.811 737 L CB 1.017 43.094 42.059 0.029 0.000 1.184 737 L HN -0.126 nan 8.230 nan 0.000 0.429 738 K N 1.409 121.826 120.400 0.029 0.000 2.344 738 K HA -0.003 4.317 4.320 -0.000 0.000 0.260 738 K C 0.345 176.968 176.600 0.039 0.000 0.988 738 K CA 0.007 56.313 56.287 0.032 0.000 0.909 738 K CB 0.270 32.785 32.500 0.026 0.000 0.968 738 K HN 0.404 nan 8.250 nan 0.000 0.505 739 D N 0.618 121.044 120.400 0.044 0.000 2.358 739 D HA -0.028 4.612 4.640 -0.000 0.000 0.241 739 D C 0.800 177.134 176.300 0.057 0.000 1.094 739 D CA 0.371 54.404 54.000 0.055 0.000 0.907 739 D CB -0.202 40.632 40.800 0.057 0.000 0.893 739 D HN 0.426 nan 8.370 nan 0.000 0.528 740 L N -2.229 119.018 121.223 0.041 0.000 2.515 740 L HA 0.227 4.567 4.340 -0.000 0.000 0.223 740 L C 0.396 177.273 176.870 0.011 0.000 1.079 740 L CA 0.099 54.956 54.840 0.029 0.000 0.857 740 L CB -0.647 41.422 42.059 0.016 0.000 1.050 740 L HN -0.192 nan 8.230 nan 0.000 0.476 741 N N 1.498 120.209 118.700 0.018 0.000 2.411 741 N HA -0.075 4.665 4.740 -0.000 0.000 0.265 741 N C 0.549 176.074 175.510 0.024 0.000 1.266 741 N CA 0.093 53.148 53.050 0.008 0.000 0.889 741 N CB 0.379 38.877 38.487 0.019 0.000 1.069 741 N HN 0.350 nan 8.380 nan 0.000 0.476 742 N N 3.077 121.764 118.700 -0.021 0.000 2.043 742 N HA -0.164 4.575 4.740 -0.000 0.000 0.193 742 N C 1.582 177.176 175.510 0.140 0.000 1.037 742 N CA 1.056 54.111 53.050 0.008 0.000 0.851 742 N CB -0.295 38.069 38.487 -0.205 0.000 1.027 742 N HN 0.326 nan 8.380 nan 0.000 0.422 743 V N 1.833 121.796 119.914 0.081 0.000 2.324 743 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 743 V C 2.522 178.670 176.094 0.091 0.000 1.060 743 V CA 1.664 64.017 62.300 0.087 0.000 1.042 743 V CB -0.526 31.325 31.823 0.047 0.000 0.650 743 V HN 0.359 nan 8.190 nan 0.000 0.450 744 K N -0.570 119.877 120.400 0.078 0.000 2.155 744 K HA -0.180 4.139 4.320 -0.000 0.000 0.203 744 K C 2.236 178.897 176.600 0.101 0.000 1.052 744 K CA 1.279 57.613 56.287 0.078 0.000 0.948 744 K CB -0.080 32.459 32.500 0.065 0.000 0.728 744 K HN 0.475 nan 8.250 nan 0.000 0.448 745 Q N -0.318 119.565 119.800 0.138 0.000 2.297 745 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 745 Q C 1.816 177.918 176.000 0.170 0.000 0.962 745 Q CA 1.064 56.977 55.803 0.183 0.000 0.879 745 Q CB 0.176 29.087 28.738 0.288 0.000 0.947 745 Q HN 0.394 nan 8.270 nan 0.000 0.462 746 M N -1.212 118.487 119.600 0.166 0.000 2.394 746 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 746 M C 1.901 178.237 176.300 0.059 0.000 1.098 746 M CA 0.569 55.922 55.300 0.089 0.000 1.149 746 M CB 0.442 33.105 32.600 0.105 0.000 1.369 746 M HN 0.032 nan 8.290 nan 0.000 0.450 747 V N 0.411 120.368 119.914 0.072 0.000 2.626 747 V HA -0.231 3.888 4.120 -0.000 0.000 0.252 747 V C 2.244 178.372 176.094 0.057 0.000 1.067 747 V CA 1.435 63.774 62.300 0.064 0.000 1.081 747 V CB -0.524 31.343 31.823 0.075 0.000 0.686 747 V HN 0.493 nan 8.190 nan 0.000 0.468 748 M N -0.227 119.409 119.600 0.061 0.000 2.123 748 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 748 M C 2.414 178.733 176.300 0.031 0.000 1.069 748 M CA 1.953 57.283 55.300 0.051 0.000 1.133 748 M CB -0.487 32.149 32.600 0.060 0.000 1.356 748 M HN 0.380 nan 8.290 nan 0.000 0.415 749 A N -0.100 122.733 122.820 0.023 0.000 1.972 749 A HA 0.036 4.355 4.320 -0.000 0.000 0.219 749 A C 1.766 179.347 177.584 -0.004 0.000 1.169 749 A CA 1.621 53.656 52.037 -0.004 0.000 0.635 749 A CB -1.099 17.881 19.000 -0.034 0.000 0.810 749 A HN 0.710 nan 8.150 nan 0.000 0.446 750 G N -1.352 107.453 108.800 0.008 0.000 2.132 750 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.228 750 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.228 750 G C 0.946 175.848 174.900 0.003 0.000 1.000 750 G CA 1.193 46.300 45.100 0.011 0.000 0.693 750 G HN 1.552 nan 8.290 nan 0.000 0.515 751 S N -1.640 114.055 115.700 -0.008 0.000 2.486 751 S HA 0.511 4.980 4.470 -0.000 0.000 0.220 751 S C 0.800 175.397 174.600 -0.007 0.000 1.011 751 S CA 1.221 59.410 58.200 -0.018 0.000 0.921 751 S CB 0.691 63.859 63.200 -0.054 0.000 0.785 751 S HN 0.421 nan 8.310 nan 0.000 0.517 752 K N -0.053 120.352 120.400 0.007 0.000 2.653 752 K HA 0.468 4.788 4.320 -0.000 0.000 0.274 752 K C -0.225 176.394 176.600 0.032 0.000 0.974 752 K CA 0.359 56.657 56.287 0.018 0.000 0.868 752 K CB 1.150 33.660 32.500 0.015 0.000 1.408 752 K HN 0.606 nan 8.250 nan 0.000 0.397 753 G N 1.146 109.966 108.800 0.033 0.000 2.819 753 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.682 753 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.682 753 G C -0.561 174.371 174.900 0.053 0.000 1.481 753 G CA 0.024 45.149 45.100 0.041 0.000 0.904 753 G HN 1.301 nan 8.290 nan 0.000 0.563 754 S N -0.438 115.299 115.700 0.062 0.000 2.727 754 S HA 0.709 5.179 4.470 -0.000 0.000 0.278 754 S C 0.657 175.325 174.600 0.113 0.000 1.186 754 S CA 0.304 58.562 58.200 0.098 0.000 0.836 754 S CB 1.129 64.393 63.200 0.107 0.000 1.186 754 S HN 1.895 nan 8.310 nan 0.000 0.499 755 F N 1.852 121.821 119.950 0.032 0.000 2.052 755 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 755 F C 2.150 177.972 175.800 0.035 0.000 1.166 755 F CA 2.476 60.496 58.000 0.032 0.000 1.218 755 F CB -0.598 38.419 39.000 0.027 0.000 0.943 755 F HN 0.540 nan 8.300 nan 0.000 0.521 756 I N 0.826 121.455 120.570 0.098 0.000 2.231 756 I HA -0.464 3.706 4.170 -0.000 0.000 0.251 756 I C 2.105 178.147 176.117 -0.125 0.000 1.076 756 I CA 1.957 63.245 61.300 -0.019 0.000 1.347 756 I CB -1.871 36.195 38.000 0.110 0.000 1.038 756 I HN 0.416 nan 8.210 nan 0.000 0.429 757 N N 1.253 119.913 118.700 -0.066 0.000 2.022 757 N HA -0.127 4.613 4.740 -0.000 0.000 0.194 757 N C 2.034 177.493 175.510 -0.085 0.000 1.057 757 N CA 1.466 54.498 53.050 -0.031 0.000 0.849 757 N CB -0.460 38.030 38.487 0.005 0.000 1.044 757 N HN 0.374 nan 8.380 nan 0.000 0.424 758 I N 1.738 122.227 120.570 -0.135 0.000 2.181 758 I HA -0.335 3.835 4.170 -0.000 0.000 0.247 758 I C 2.435 178.428 176.117 -0.206 0.000 1.081 758 I CA 1.336 62.549 61.300 -0.145 0.000 1.340 758 I CB -0.530 37.373 38.000 -0.163 0.000 1.036 758 I HN 0.101 nan 8.210 nan 0.000 0.417 759 A N 0.604 123.190 122.820 -0.391 0.000 1.829 759 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 759 A C 2.245 179.718 177.584 -0.186 0.000 1.207 759 A CA 1.866 53.682 52.037 -0.368 0.000 0.622 759 A CB -0.946 17.726 19.000 -0.547 0.000 0.846 759 A HN 0.489 nan 8.150 nan 0.000 0.447 760 Q N -1.180 118.532 119.800 -0.146 0.000 2.297 760 Q HA -0.127 4.213 4.340 -0.000 0.000 0.208 760 Q C 2.059 178.029 176.000 -0.050 0.000 0.981 760 Q CA 1.451 57.168 55.803 -0.142 0.000 0.876 760 Q CB -0.255 28.442 28.738 -0.068 0.000 0.921 760 Q HN 0.711 nan 8.270 nan 0.000 0.446 761 M N -1.201 118.435 119.600 0.059 0.000 2.394 761 M HA -0.031 4.449 4.480 -0.000 0.000 0.266 761 M C 1.602 177.934 176.300 0.052 0.000 1.098 761 M CA 0.921 56.306 55.300 0.141 0.000 1.149 761 M CB 0.514 33.179 32.600 0.108 0.000 1.369 761 M HN 0.054 nan 8.290 nan 0.000 0.450 762 S N -0.337 115.356 115.700 -0.012 0.000 2.599 762 S HA 0.298 4.768 4.470 -0.000 0.000 0.236 762 S C 1.648 176.230 174.600 -0.031 0.000 1.077 762 S CA 0.322 58.512 58.200 -0.016 0.000 0.906 762 S CB 0.268 63.455 63.200 -0.023 0.000 0.804 762 S HN 0.405 nan 8.310 nan 0.000 0.497 763 A N 0.584 123.370 122.820 -0.058 0.000 2.179 763 A HA 0.542 4.862 4.320 -0.000 0.000 0.224 763 A C 0.878 178.420 177.584 -0.069 0.000 1.759 763 A CA 0.664 52.672 52.037 -0.048 0.000 0.688 763 A CB -0.637 18.339 19.000 -0.040 0.000 1.342 763 A HN 0.596 nan 8.150 nan 0.000 0.543 764 C N -1.449 117.790 119.300 -0.102 0.000 2.880 764 C HA 0.586 5.046 4.460 -0.000 0.000 0.320 764 C C 1.590 176.431 174.990 -0.247 0.000 1.176 764 C CA -0.216 58.706 59.018 -0.160 0.000 1.390 764 C CB 0.780 28.468 27.740 -0.087 0.000 1.846 764 C HN 0.520 nan 8.230 nan 0.000 0.478 765 V N 4.384 124.068 119.914 -0.383 0.000 2.237 765 V HA 0.319 4.439 4.120 -0.000 0.000 0.245 765 V C 1.639 177.525 176.094 -0.347 0.000 1.046 765 V CA 2.516 64.535 62.300 -0.469 0.000 1.007 765 V CB -1.274 30.177 31.823 -0.621 0.000 0.638 765 V HN 1.841 nan 8.190 nan 0.000 0.445 766 G N -0.682 107.866 108.800 -0.420 0.000 2.459 766 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.685 766 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.685 766 G C -0.769 174.001 174.900 -0.216 0.000 1.303 766 G CA -0.214 44.744 45.100 -0.237 0.000 0.907 766 G HN 0.490 nan 8.290 nan 0.000 0.632 767 Q N -0.078 119.791 119.800 0.115 0.000 2.274 767 Q HA 0.465 4.805 4.340 -0.000 0.000 0.280 767 Q C 0.432 176.450 176.000 0.030 0.000 1.047 767 Q CA 0.567 56.484 55.803 0.190 0.000 0.907 767 Q CB 0.712 29.599 28.738 0.249 0.000 1.171 767 Q HN 0.626 nan 8.270 nan 0.000 0.381 768 Q N 1.716 121.522 119.800 0.010 0.000 2.259 768 Q HA 0.590 4.929 4.340 -0.000 0.000 0.246 768 Q C -1.046 174.958 176.000 0.007 0.000 0.920 768 Q CA 0.062 55.865 55.803 0.001 0.000 0.895 768 Q CB 1.462 30.227 28.738 0.046 0.000 1.220 768 Q HN 0.849 nan 8.270 nan 0.000 0.439 769 S N -0.130 115.574 115.700 0.007 0.000 2.651 769 S HA 0.920 5.390 4.470 -0.000 0.000 0.279 769 S C -1.237 173.359 174.600 -0.007 0.000 1.148 769 S CA -0.854 57.340 58.200 -0.010 0.000 0.837 769 S CB 1.407 64.600 63.200 -0.012 0.000 1.138 769 S HN 0.291 nan 8.310 nan 0.000 0.478 770 V N 0.778 120.680 119.914 -0.020 0.000 2.817 770 V HA 0.485 4.605 4.120 -0.000 0.000 0.303 770 V C -0.027 176.053 176.094 -0.023 0.000 1.151 770 V CA -0.832 61.458 62.300 -0.016 0.000 0.929 770 V CB 1.209 33.025 31.823 -0.013 0.000 1.030 770 V HN 1.129 nan 8.190 nan 0.000 0.427 771 E N 2.535 122.724 120.200 -0.017 0.000 3.146 771 E HA -0.364 3.985 4.350 -0.000 0.000 0.277 771 E C 1.225 177.811 176.600 -0.023 0.000 1.003 771 E CA 1.258 57.647 56.400 -0.018 0.000 0.861 771 E CB -0.967 28.721 29.700 -0.020 0.000 1.436 771 E HN 1.586 nan 8.360 nan 0.000 0.455 772 G N -0.318 108.468 108.800 -0.024 0.000 3.349 772 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.202 772 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.202 772 G C 0.012 174.886 174.900 -0.042 0.000 1.588 772 G CA -0.070 45.013 45.100 -0.028 0.000 1.198 772 G HN 0.133 nan 8.290 nan 0.000 0.588 773 K N 2.394 122.761 120.400 -0.055 0.000 2.336 773 K HA 0.540 4.860 4.320 -0.000 0.000 0.262 773 K C 1.179 177.727 176.600 -0.087 0.000 0.992 773 K CA 0.031 56.271 56.287 -0.079 0.000 0.927 773 K CB 0.282 32.725 32.500 -0.094 0.000 0.956 773 K HN 0.590 nan 8.250 nan 0.000 0.495 774 R N 0.809 121.243 120.500 -0.110 0.000 2.893 774 R HA 0.078 4.418 4.340 -0.000 0.000 0.279 774 R C 0.358 176.569 176.300 -0.149 0.000 1.076 774 R CA -0.693 55.339 56.100 -0.114 0.000 1.203 774 R CB 0.045 30.271 30.300 -0.122 0.000 1.137 774 R HN 0.409 nan 8.270 nan 0.000 0.541 775 I N 1.627 122.089 120.570 -0.181 0.000 2.906 775 I HA -0.140 4.030 4.170 -0.000 0.000 0.302 775 I C 1.221 177.223 176.117 -0.191 0.000 1.220 775 I CA 0.551 61.726 61.300 -0.208 0.000 1.441 775 I CB -0.872 36.854 38.000 -0.457 0.000 1.336 775 I HN 0.703 nan 8.210 nan 0.000 0.565 776 A N 7.687 130.436 122.820 -0.118 0.000 2.260 776 A HA 0.461 4.781 4.320 -0.000 0.000 0.278 776 A C -0.080 177.553 177.584 0.083 0.000 1.269 776 A CA -0.316 51.641 52.037 -0.133 0.000 0.824 776 A CB 0.242 19.199 19.000 -0.073 0.000 1.238 776 A HN 0.602 nan 8.150 nan 0.000 0.507 777 F N 0.150 120.086 119.950 -0.024 0.000 2.291 777 F HA 0.321 4.848 4.527 -0.000 0.000 0.368 777 F C 1.580 177.397 175.800 0.029 0.000 1.085 777 F CA -0.404 57.613 58.000 0.029 0.000 1.165 777 F CB 1.064 40.076 39.000 0.021 0.000 1.429 777 F HN 0.755 nan 8.300 nan 0.000 0.503 778 G N 3.259 112.169 108.800 0.183 0.000 2.403 778 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 778 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 778 G C 0.343 175.191 174.900 -0.086 0.000 1.154 778 G CA 0.271 45.353 45.100 -0.029 0.000 0.784 778 G HN 0.325 nan 8.290 nan 0.000 0.538 779 F N -0.184 119.812 119.950 0.076 0.000 2.378 779 F HA 0.429 4.956 4.527 -0.000 0.000 0.325 779 F C 0.646 176.448 175.800 0.003 0.000 1.097 779 F CA -1.074 56.940 58.000 0.023 0.000 1.079 779 F CB 1.466 40.459 39.000 -0.011 0.000 1.240 779 F HN -0.279 nan 8.300 nan 0.000 0.519 780 V N 2.889 122.925 119.914 0.204 0.000 2.506 780 V HA -0.135 3.985 4.120 -0.000 0.000 0.296 780 V C 0.204 176.286 176.094 -0.020 0.000 1.004 780 V CA 0.424 62.782 62.300 0.097 0.000 1.150 780 V CB -0.519 31.351 31.823 0.078 0.000 0.911 780 V HN 0.824 nan 8.190 nan 0.000 0.476 781 D N 3.321 123.694 120.400 -0.044 0.000 2.860 781 D HA -0.202 4.438 4.640 -0.000 0.000 0.229 781 D C 0.511 176.136 176.300 -1.125 0.000 1.169 781 D CA 1.559 55.374 54.000 -0.309 0.000 0.737 781 D CB -0.362 40.395 40.800 -0.071 0.000 1.080 781 D HN 0.942 nan 8.370 nan 0.000 0.424 782 R N -3.374 116.443 120.500 -1.139 0.000 2.712 782 R HA 0.442 4.782 4.340 -0.000 0.000 0.272 782 R C 0.862 177.111 176.300 -0.085 0.000 1.032 782 R CA -0.443 55.128 56.100 -0.880 0.000 0.874 782 R CB 0.295 30.429 30.300 -0.277 0.000 1.256 782 R HN -0.102 nan 8.270 nan 0.000 0.468 783 T N -1.481 113.211 114.554 0.231 0.000 3.035 783 T HA 0.318 4.667 4.350 -0.000 0.000 0.259 783 T C 0.652 175.609 174.700 0.428 0.000 1.078 783 T CA 0.340 62.696 62.100 0.426 0.000 1.132 783 T CB -0.002 69.116 68.868 0.417 0.000 0.900 783 T HN 0.358 nan 8.240 nan 0.000 0.480 784 L N 0.548 121.864 121.223 0.154 0.000 2.582 784 L HA 0.406 4.746 4.340 -0.000 0.000 0.257 784 L C -2.465 174.210 176.870 -0.325 0.000 0.974 784 L CA -2.274 52.511 54.840 -0.093 0.000 0.851 784 L CB 2.757 44.520 42.059 -0.493 0.000 1.424 784 L HN -0.283 nan 8.230 nan 0.000 0.412 785 P HA 0.025 nan 4.420 nan 0.000 0.259 785 P C 0.159 177.330 177.300 -0.215 0.000 1.480 785 P CA 0.662 63.483 63.100 -0.465 0.000 0.842 785 P CB -0.261 31.048 31.700 -0.651 0.000 1.513 786 H N -1.712 117.170 119.070 -0.312 0.000 2.674 786 H HA 0.307 4.863 4.556 -0.000 0.000 0.274 786 H C 0.209 175.658 175.328 0.202 0.000 1.121 786 H CA -0.220 55.742 56.048 -0.143 0.000 1.132 786 H CB 0.371 29.987 29.762 -0.243 0.000 1.606 786 H HN 0.189 nan 8.280 nan 0.000 0.558 787 F N 0.793 120.777 119.950 0.057 0.000 2.563 787 F HA 0.330 4.856 4.527 -0.000 0.000 0.316 787 F C 0.302 176.083 175.800 -0.032 0.000 1.076 787 F CA -1.287 56.730 58.000 0.030 0.000 0.921 787 F CB 2.246 41.278 39.000 0.053 0.000 1.209 787 F HN -0.113 nan 8.300 nan 0.000 0.462 788 S N 1.880 117.670 115.700 0.151 0.000 2.584 788 S HA 0.181 4.651 4.470 -0.000 0.000 0.273 788 S C -0.077 174.534 174.600 0.019 0.000 1.311 788 S CA -0.783 57.449 58.200 0.052 0.000 1.034 788 S CB 0.846 64.066 63.200 0.033 0.000 0.939 788 S HN 0.400 nan 8.310 nan 0.000 0.513 789 K N 1.597 121.987 120.400 -0.017 0.000 2.457 789 K HA -0.065 4.255 4.320 -0.000 0.000 0.269 789 K C -0.289 176.310 176.600 -0.001 0.000 0.969 789 K CA 0.535 56.787 56.287 -0.059 0.000 0.921 789 K CB -0.065 32.416 32.500 -0.032 0.000 0.940 789 K HN 0.624 nan 8.250 nan 0.000 0.517 790 D N 0.935 121.341 120.400 0.010 0.000 2.735 790 D HA -0.178 4.462 4.640 -0.000 0.000 0.235 790 D C -0.861 175.671 176.300 0.386 0.000 1.175 790 D CA 0.990 55.163 54.000 0.288 0.000 0.683 790 D CB -0.608 40.337 40.800 0.243 0.000 1.008 790 D HN 0.387 nan 8.370 nan 0.000 0.416 791 D N -0.097 120.510 120.400 0.345 0.000 2.308 791 D HA 0.236 4.876 4.640 -0.000 0.000 0.242 791 D C -0.333 176.276 176.300 0.515 0.000 1.059 791 D CA -0.629 53.578 54.000 0.345 0.000 0.830 791 D CB 0.692 41.545 40.800 0.089 0.000 1.161 791 D HN 0.098 nan 8.370 nan 0.000 0.494 792 Y N 1.058 121.485 120.300 0.211 0.000 2.641 792 Y HA 0.108 4.658 4.550 -0.000 0.000 0.248 792 Y C 1.380 177.369 175.900 0.149 0.000 1.170 792 Y CA -0.567 57.669 58.100 0.226 0.000 1.201 792 Y CB -0.198 38.447 38.460 0.308 0.000 1.232 792 Y HN 0.273 nan 8.280 nan 0.000 0.537 793 S N 1.814 117.654 115.700 0.233 0.000 2.592 793 S HA 0.006 4.476 4.470 -0.000 0.000 0.256 793 S C -1.235 173.420 174.600 0.093 0.000 1.369 793 S CA -0.685 57.590 58.200 0.124 0.000 0.984 793 S CB 0.728 63.953 63.200 0.042 0.000 0.919 793 S HN 0.114 nan 8.310 nan 0.000 0.576 794 P HA -0.058 nan 4.420 nan 0.000 0.217 794 P C 0.670 178.089 177.300 0.200 0.000 1.151 794 P CA 1.250 64.389 63.100 0.065 0.000 0.828 794 P CB -0.201 31.459 31.700 -0.068 0.000 0.788 795 E N -0.185 120.125 120.200 0.183 0.000 2.472 795 E HA -0.047 4.302 4.350 -0.000 0.000 0.200 795 E C 2.085 178.876 176.600 0.318 0.000 1.046 795 E CA 0.701 57.250 56.400 0.249 0.000 0.871 795 E CB -0.458 29.337 29.700 0.159 0.000 0.806 795 E HN 0.218 nan 8.360 nan 0.000 0.533 796 S N -0.234 115.585 115.700 0.198 0.000 2.502 796 S HA 0.048 4.518 4.470 -0.000 0.000 0.228 796 S C 1.454 176.202 174.600 0.246 0.000 1.061 796 S CA 0.034 58.462 58.200 0.379 0.000 0.935 796 S CB 0.260 63.529 63.200 0.115 0.000 0.809 796 S HN -0.075 nan 8.310 nan 0.000 0.510 797 K N 1.138 121.583 120.400 0.075 0.000 2.458 797 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 797 K C 0.909 177.384 176.600 -0.210 0.000 1.024 797 K CA 0.680 56.907 56.287 -0.099 0.000 1.108 797 K CB 0.196 32.642 32.500 -0.090 0.000 0.846 797 K HN 0.530 nan 8.250 nan 0.000 0.518 798 G N 1.687 110.398 108.800 -0.148 0.000 2.181 798 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.152 798 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.152 798 G C -0.606 174.396 174.900 0.170 0.000 1.026 798 G CA -0.647 44.413 45.100 -0.068 0.000 0.699 798 G HN 0.231 nan 8.290 nan 0.000 0.497 799 F N 1.907 121.905 119.950 0.079 0.000 2.390 799 F HA 0.585 5.112 4.527 -0.000 0.000 0.361 799 F C 0.472 176.324 175.800 0.087 0.000 1.124 799 F CA -1.025 57.009 58.000 0.056 0.000 1.149 799 F CB 1.391 40.417 39.000 0.043 0.000 1.160 799 F HN 0.007 nan 8.300 nan 0.000 0.501 800 V N 8.042 127.674 119.914 -0.471 0.000 2.338 800 V HA 0.035 4.154 4.120 -0.000 0.000 0.255 800 V C 1.193 176.844 176.094 -0.737 0.000 1.082 800 V CA 0.012 62.068 62.300 -0.406 0.000 0.951 800 V CB 0.519 32.148 31.823 -0.323 0.000 1.102 800 V HN 0.917 nan 8.190 nan 0.000 0.489 801 E N 4.461 124.341 120.200 -0.533 0.000 2.106 801 E HA -0.115 4.234 4.350 -0.000 0.000 0.192 801 E C 1.029 177.502 176.600 -0.212 0.000 0.984 801 E CA 0.560 56.739 56.400 -0.368 0.000 0.806 801 E CB 0.246 29.967 29.700 0.036 0.000 0.750 801 E HN 0.747 nan 8.360 nan 0.000 0.458 802 N N 0.953 119.560 118.700 -0.155 0.000 2.326 802 N HA -0.028 4.712 4.740 -0.000 0.000 0.239 802 N C 0.004 175.406 175.510 -0.180 0.000 1.301 802 N CA 0.659 53.644 53.050 -0.109 0.000 0.909 802 N CB 1.036 39.492 38.487 -0.051 0.000 1.156 802 N HN 0.161 nan 8.380 nan 0.000 0.462 803 S N -0.727 114.898 115.700 -0.125 0.000 2.747 803 S HA 0.294 4.764 4.470 -0.000 0.000 0.300 803 S C 0.843 175.387 174.600 -0.094 0.000 1.121 803 S CA -0.644 57.461 58.200 -0.158 0.000 0.995 803 S CB 0.510 63.669 63.200 -0.069 0.000 1.113 803 S HN 0.557 nan 8.310 nan 0.000 0.547 804 Y N -0.263 120.033 120.300 -0.007 0.000 2.439 804 Y HA -0.002 4.548 4.550 -0.000 0.000 0.292 804 Y C 2.141 178.050 175.900 0.014 0.000 1.130 804 Y CA 0.298 58.409 58.100 0.018 0.000 1.254 804 Y CB -0.030 38.443 38.460 0.022 0.000 1.000 804 Y HN 0.555 nan 8.280 nan 0.000 0.554 805 L N 1.106 122.418 121.223 0.148 0.000 2.093 805 L HA -0.161 4.178 4.340 -0.000 0.000 0.208 805 L C 2.146 179.056 176.870 0.067 0.000 1.085 805 L CA 1.634 56.525 54.840 0.086 0.000 0.755 805 L CB -0.505 41.585 42.059 0.052 0.000 0.904 805 L HN 0.083 nan 8.230 nan 0.000 0.435 806 R N 0.111 120.644 120.500 0.054 0.000 2.062 806 R HA 0.389 4.728 4.340 -0.000 0.000 0.226 806 R C 0.682 177.014 176.300 0.054 0.000 1.125 806 R CA 0.677 56.802 56.100 0.041 0.000 0.966 806 R CB -0.753 29.560 30.300 0.022 0.000 0.861 806 R HN 0.407 nan 8.270 nan 0.000 0.433 807 G N 1.151 109.997 108.800 0.077 0.000 2.885 807 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.685 807 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.685 807 G C -1.160 173.793 174.900 0.087 0.000 1.216 807 G CA -1.087 44.073 45.100 0.100 0.000 0.790 807 G HN 0.009 nan 8.290 nan 0.000 0.631 808 L N 1.852 123.158 121.223 0.138 0.000 2.417 808 L HA 0.641 4.980 4.340 -0.000 0.000 0.268 808 L C 1.759 178.697 176.870 0.113 0.000 1.158 808 L CA 0.454 55.379 54.840 0.140 0.000 0.819 808 L CB 1.130 43.340 42.059 0.251 0.000 1.112 808 L HN 0.989 nan 8.230 nan 0.000 0.458 809 T N -0.494 114.117 114.554 0.096 0.000 2.882 809 T HA 0.306 4.656 4.350 -0.000 0.000 0.287 809 T C -1.803 172.940 174.700 0.071 0.000 1.014 809 T CA -1.700 60.440 62.100 0.066 0.000 1.049 809 T CB 1.069 69.979 68.868 0.070 0.000 1.001 809 T HN 0.436 nan 8.240 nan 0.000 0.525 810 P HA -0.196 nan 4.420 nan 0.000 0.219 810 P C 1.312 178.593 177.300 -0.031 0.000 1.151 810 P CA 1.383 64.486 63.100 0.004 0.000 0.850 810 P CB 0.061 31.736 31.700 -0.042 0.000 0.784 811 Q N -1.000 118.731 119.800 -0.114 0.000 2.061 811 Q HA -0.075 4.265 4.340 -0.000 0.000 0.195 811 Q C 2.167 178.027 176.000 -0.233 0.000 0.967 811 Q CA 1.187 56.781 55.803 -0.348 0.000 0.829 811 Q CB -0.707 27.924 28.738 -0.178 0.000 0.900 811 Q HN 0.314 nan 8.270 nan 0.000 0.450 812 E N -0.049 120.183 120.200 0.052 0.000 2.097 812 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 812 E C 1.646 178.363 176.600 0.195 0.000 1.000 812 E CA 1.154 57.648 56.400 0.156 0.000 0.804 812 E CB -0.214 29.560 29.700 0.124 0.000 0.740 812 E HN 0.240 nan 8.360 nan 0.000 0.454 813 F N 0.385 120.363 119.950 0.048 0.000 2.095 813 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 813 F C 1.996 177.825 175.800 0.048 0.000 1.104 813 F CA 1.498 59.539 58.000 0.068 0.000 1.232 813 F CB -0.329 38.693 39.000 0.036 0.000 0.987 813 F HN -0.021 nan 8.300 nan 0.000 0.475 814 F N -0.732 119.172 119.950 -0.076 0.000 2.407 814 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 814 F C 1.673 177.399 175.800 -0.122 0.000 1.097 814 F CA 1.172 59.051 58.000 -0.202 0.000 1.422 814 F CB -0.360 38.492 39.000 -0.245 0.000 1.067 814 F HN -0.007 nan 8.300 nan 0.000 0.539 815 F N -2.009 118.059 119.950 0.195 0.000 2.317 815 F HA -0.099 4.428 4.527 -0.000 0.000 0.293 815 F C 2.483 178.315 175.800 0.052 0.000 1.085 815 F CA 0.459 58.545 58.000 0.142 0.000 1.390 815 F CB -0.523 38.576 39.000 0.165 0.000 1.077 815 F HN -0.033 nan 8.300 nan 0.000 0.517 816 H N 1.132 120.248 119.070 0.078 0.000 2.421 816 H HA -0.089 4.467 4.556 -0.000 0.000 0.298 816 H C 1.971 177.211 175.328 -0.147 0.000 1.087 816 H CA 1.199 57.230 56.048 -0.028 0.000 1.330 816 H CB -0.300 29.437 29.762 -0.041 0.000 1.388 816 H HN 0.208 nan 8.280 nan 0.000 0.526 817 A N 0.831 123.497 122.820 -0.258 0.000 1.835 817 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 817 A C 2.675 180.094 177.584 -0.276 0.000 1.199 817 A CA 1.933 53.699 52.037 -0.451 0.000 0.615 817 A CB -0.862 17.704 19.000 -0.725 0.000 0.838 817 A HN 0.471 nan 8.150 nan 0.000 0.444 818 M N -0.212 119.241 119.600 -0.246 0.000 2.143 818 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 818 M C 2.183 178.460 176.300 -0.038 0.000 1.071 818 M CA 1.560 56.792 55.300 -0.114 0.000 1.088 818 M CB -0.822 31.797 32.600 0.031 0.000 1.360 818 M HN 0.545 nan 8.290 nan 0.000 0.404 819 G N 0.034 108.845 108.800 0.018 0.000 2.453 819 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 819 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 819 G C 1.518 176.429 174.900 0.019 0.000 1.201 819 G CA 0.952 46.080 45.100 0.048 0.000 0.784 819 G HN 0.547 nan 8.290 nan 0.000 0.545 820 G N 0.898 109.698 108.800 -0.001 0.000 2.491 820 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.218 820 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.218 820 G C 1.841 176.700 174.900 -0.068 0.000 1.180 820 G CA 1.354 46.424 45.100 -0.050 0.000 0.774 820 G HN 0.521 nan 8.290 nan 0.000 0.562 821 R N 0.964 121.403 120.500 -0.101 0.000 2.276 821 R HA -0.093 4.247 4.340 -0.000 0.000 0.243 821 R C 2.117 178.385 176.300 -0.054 0.000 1.161 821 R CA 1.893 57.940 56.100 -0.088 0.000 1.007 821 R CB -0.461 29.773 30.300 -0.111 0.000 0.867 821 R HN 0.568 nan 8.270 nan 0.000 0.472 822 E N -1.299 118.878 120.200 -0.038 0.000 2.076 822 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 822 E C 1.705 178.293 176.600 -0.019 0.000 0.979 822 E CA 0.946 57.332 56.400 -0.023 0.000 0.807 822 E CB -0.197 29.495 29.700 -0.013 0.000 0.761 822 E HN 0.562 nan 8.360 nan 0.000 0.454 823 G N 1.393 110.183 108.800 -0.016 0.000 2.404 823 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 823 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 823 G C 1.599 176.487 174.900 -0.020 0.000 1.174 823 G CA 0.400 45.492 45.100 -0.013 0.000 0.780 823 G HN 0.161 nan 8.290 nan 0.000 0.537 824 L N 0.145 121.351 121.223 -0.029 0.000 2.129 824 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 824 L C 2.768 179.622 176.870 -0.027 0.000 1.087 824 L CA 0.662 55.483 54.840 -0.032 0.000 0.757 824 L CB -0.402 41.631 42.059 -0.043 0.000 0.896 824 L HN 0.251 nan 8.230 nan 0.000 0.434 825 I N -0.645 119.910 120.570 -0.026 0.000 2.188 825 I HA -0.262 3.907 4.170 -0.000 0.000 0.237 825 I C 2.471 178.578 176.117 -0.017 0.000 1.073 825 I CA 1.312 62.599 61.300 -0.022 0.000 1.359 825 I CB -0.575 37.413 38.000 -0.021 0.000 1.083 825 I HN 0.314 nan 8.210 nan 0.000 0.412 826 D N 0.910 121.301 120.400 -0.014 0.000 2.157 826 D HA -0.248 4.392 4.640 -0.000 0.000 0.191 826 D C 1.963 178.257 176.300 -0.011 0.000 1.004 826 D CA 2.368 56.362 54.000 -0.010 0.000 0.854 826 D CB 0.003 40.798 40.800 -0.008 0.000 0.936 826 D HN 0.231 nan 8.370 nan 0.000 0.446 827 T N 0.366 114.911 114.554 -0.014 0.000 2.607 827 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 827 T C 1.503 176.194 174.700 -0.015 0.000 1.049 827 T CA 1.966 64.057 62.100 -0.015 0.000 1.162 827 T CB -0.464 68.393 68.868 -0.018 0.000 0.863 827 T HN 0.330 nan 8.240 nan 0.000 0.424 828 A N 0.375 123.185 122.820 -0.017 0.000 2.305 828 A HA 0.384 4.704 4.320 -0.000 0.000 0.236 828 A C 1.235 178.811 177.584 -0.013 0.000 1.392 828 A CA 0.186 52.213 52.037 -0.016 0.000 1.205 828 A CB -0.418 18.571 19.000 -0.019 0.000 0.881 828 A HN 0.383 nan 8.150 nan 0.000 0.558 829 V N -2.198 117.710 119.914 -0.010 0.000 3.339 829 V HA 0.055 4.174 4.120 -0.000 0.000 0.201 829 V C 1.644 177.738 176.094 0.000 0.000 1.489 829 V CA 0.578 62.875 62.300 -0.006 0.000 1.228 829 V CB -0.360 31.459 31.823 -0.006 0.000 1.152 829 V HN 0.294 nan 8.190 nan 0.000 0.519 830 K N 0.808 121.208 120.400 -0.001 0.000 2.515 830 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 830 K C 1.888 178.489 176.600 0.002 0.000 1.038 830 K CA 1.469 57.758 56.287 0.002 0.000 0.967 830 K CB -0.274 32.225 32.500 -0.002 0.000 0.780 830 K HN 0.483 nan 8.250 nan 0.000 0.483 831 T N -1.645 112.908 114.554 -0.002 0.000 3.031 831 T HA 0.189 4.538 4.350 -0.000 0.000 0.254 831 T C 1.477 176.180 174.700 0.005 0.000 1.060 831 T CA 0.805 62.903 62.100 -0.004 0.000 1.135 831 T CB 0.089 68.950 68.868 -0.011 0.000 0.896 831 T HN 0.213 nan 8.240 nan 0.000 0.472 832 A N 0.213 123.037 122.820 0.007 0.000 2.081 832 A HA 0.258 4.578 4.320 -0.000 0.000 0.214 832 A C 1.987 179.593 177.584 0.037 0.000 1.158 832 A CA 1.032 53.076 52.037 0.011 0.000 0.724 832 A CB -0.253 18.742 19.000 -0.007 0.000 0.826 832 A HN 0.563 nan 8.150 nan 0.000 0.463 833 E N -0.768 119.457 120.200 0.042 0.000 2.086 833 E HA -0.075 4.274 4.350 -0.000 0.000 0.190 833 E C 1.898 178.557 176.600 0.098 0.000 0.975 833 E CA 1.225 57.671 56.400 0.077 0.000 0.813 833 E CB -0.002 29.732 29.700 0.058 0.000 0.768 833 E HN 0.442 nan 8.360 nan 0.000 0.457 834 T N -0.092 114.495 114.554 0.054 0.000 2.665 834 T HA -0.183 4.166 4.350 -0.000 0.000 0.268 834 T C 1.681 176.411 174.700 0.051 0.000 1.035 834 T CA 1.345 63.468 62.100 0.037 0.000 1.151 834 T CB -0.786 68.087 68.868 0.008 0.000 0.862 834 T HN 0.434 nan 8.240 nan 0.000 0.438 835 G N -0.007 108.828 108.800 0.058 0.000 2.529 835 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.219 835 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.219 835 G C 1.388 176.371 174.900 0.138 0.000 1.177 835 G CA 1.208 46.351 45.100 0.071 0.000 0.773 835 G HN 0.543 nan 8.290 nan 0.000 0.573 836 Y N 1.269 121.581 120.300 0.020 0.000 2.242 836 Y HA 0.015 4.565 4.550 -0.000 0.000 0.291 836 Y C 2.619 178.559 175.900 0.067 0.000 1.137 836 Y CA 0.715 58.843 58.100 0.046 0.000 1.181 836 Y CB -0.227 38.256 38.460 0.038 0.000 0.989 836 Y HN 0.205 nan 8.280 nan 0.000 0.527 837 I N -0.353 120.245 120.570 0.047 0.000 2.127 837 I HA -0.377 3.793 4.170 -0.000 0.000 0.241 837 I C 2.567 178.637 176.117 -0.078 0.000 1.075 837 I CA 1.502 62.768 61.300 -0.057 0.000 1.334 837 I CB -0.529 37.468 38.000 -0.005 0.000 1.040 837 I HN 0.275 nan 8.210 nan 0.000 0.405 838 Q N 0.510 120.290 119.800 -0.033 0.000 2.012 838 Q HA -0.331 4.009 4.340 -0.000 0.000 0.211 838 Q C 2.262 178.226 176.000 -0.059 0.000 1.009 838 Q CA 2.356 58.132 55.803 -0.045 0.000 0.866 838 Q CB -0.484 28.241 28.738 -0.021 0.000 0.945 838 Q HN 0.359 nan 8.270 nan 0.000 0.414 839 R N 0.323 120.813 120.500 -0.016 0.000 2.136 839 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 839 R C 2.333 178.606 176.300 -0.045 0.000 1.131 839 R CA 2.344 58.454 56.100 0.018 0.000 0.937 839 R CB -0.198 30.188 30.300 0.143 0.000 0.863 839 R HN 0.174 nan 8.270 nan 0.000 0.435 840 R N -0.053 120.382 120.500 -0.109 0.000 2.073 840 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 840 R C 2.458 178.550 176.300 -0.347 0.000 1.134 840 R CA 1.795 57.788 56.100 -0.180 0.000 0.952 840 R CB -0.639 29.591 30.300 -0.117 0.000 0.850 840 R HN 0.235 nan 8.270 nan 0.000 0.433 841 L N 0.185 121.259 121.223 -0.248 0.000 2.051 841 L HA -0.271 4.068 4.340 -0.000 0.000 0.214 841 L C 2.264 178.959 176.870 -0.291 0.000 1.076 841 L CA 1.352 56.037 54.840 -0.259 0.000 0.758 841 L CB -0.503 41.457 42.059 -0.164 0.000 0.890 841 L HN 0.112 nan 8.230 nan 0.000 0.433 842 V N -0.663 119.115 119.914 -0.227 0.000 2.221 842 V HA -0.243 3.877 4.120 -0.000 0.000 0.242 842 V C 2.474 178.404 176.094 -0.273 0.000 1.041 842 V CA 1.468 63.647 62.300 -0.201 0.000 0.995 842 V CB -0.495 31.254 31.823 -0.123 0.000 0.635 842 V HN 0.341 nan 8.190 nan 0.000 0.448 843 K N 0.261 120.494 120.400 -0.278 0.000 2.242 843 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 843 K C 2.052 178.326 176.600 -0.543 0.000 1.045 843 K CA 1.658 57.753 56.287 -0.321 0.000 0.930 843 K CB -0.756 31.544 32.500 -0.334 0.000 0.726 843 K HN 0.529 nan 8.250 nan 0.000 0.462 844 A N 0.062 122.340 122.820 -0.903 0.000 2.067 844 A HA 0.001 4.320 4.320 -0.000 0.000 0.217 844 A C 1.828 179.056 177.584 -0.594 0.000 1.156 844 A CA 0.783 52.053 52.037 -1.279 0.000 0.683 844 A CB -0.014 18.095 19.000 -1.484 0.000 0.808 844 A HN 0.242 nan 8.150 nan 0.000 0.455 845 L N -1.681 119.311 121.223 -0.384 0.000 2.966 845 L HA 0.149 4.489 4.340 -0.000 0.000 0.262 845 L C 1.470 178.241 176.870 -0.165 0.000 1.165 845 L CA -0.007 54.694 54.840 -0.231 0.000 0.978 845 L CB -0.288 41.660 42.059 -0.186 0.000 1.337 845 L HN 0.302 nan 8.230 nan 0.000 0.563 846 E N 1.874 121.973 120.200 -0.169 0.000 2.164 846 E HA -0.330 4.020 4.350 -0.000 0.000 0.233 846 E C 1.098 177.638 176.600 -0.099 0.000 1.073 846 E CA 2.279 58.607 56.400 -0.120 0.000 0.941 846 E CB -0.391 29.250 29.700 -0.099 0.000 0.820 846 E HN 0.602 nan 8.360 nan 0.000 0.486 847 D N 0.774 121.123 120.400 -0.085 0.000 2.392 847 D HA -0.089 4.551 4.640 -0.000 0.000 0.228 847 D C 0.487 176.750 176.300 -0.063 0.000 1.003 847 D CA 0.506 54.468 54.000 -0.065 0.000 0.917 847 D CB -0.460 40.317 40.800 -0.039 0.000 0.890 847 D HN 0.202 nan 8.370 nan 0.000 0.532 848 I N 0.833 121.357 120.570 -0.077 0.000 2.365 848 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 848 I C 0.417 176.470 176.117 -0.107 0.000 1.004 848 I CA -0.583 60.677 61.300 -0.066 0.000 1.311 848 I CB 0.889 38.856 38.000 -0.054 0.000 1.401 848 I HN 0.000 nan 8.210 nan 0.000 0.491 849 M N 4.739 124.254 119.600 -0.142 0.000 2.578 849 M HA 0.500 4.980 4.480 -0.000 0.000 0.276 849 M C -1.732 174.405 176.300 -0.270 0.000 1.245 849 M CA -0.888 54.266 55.300 -0.243 0.000 0.871 849 M CB 2.041 34.447 32.600 -0.324 0.000 1.722 849 M HN 0.062 nan 8.290 nan 0.000 0.473 850 V N 3.659 123.404 119.914 -0.281 0.000 2.446 850 V HA 0.204 4.324 4.120 -0.000 0.000 0.276 850 V C 0.361 176.308 176.094 -0.246 0.000 1.030 850 V CA 0.104 62.286 62.300 -0.196 0.000 1.033 850 V CB -0.319 31.373 31.823 -0.217 0.000 0.993 850 V HN 0.728 nan 8.190 nan 0.000 0.477 851 H N 3.589 122.595 119.070 -0.107 0.000 2.505 851 H HA 0.165 4.721 4.556 -0.000 0.000 0.358 851 H C 0.433 175.708 175.328 -0.089 0.000 1.304 851 H CA -0.253 55.721 56.048 -0.124 0.000 1.393 851 H CB 0.874 30.606 29.762 -0.049 0.000 1.591 851 H HN 0.610 nan 8.280 nan 0.000 0.595 852 Y N 0.436 120.845 120.300 0.181 0.000 2.716 852 Y HA -0.165 4.384 4.550 -0.000 0.000 0.302 852 Y C 1.096 177.040 175.900 0.074 0.000 1.160 852 Y CA 0.645 58.804 58.100 0.099 0.000 1.362 852 Y CB 0.110 38.625 38.460 0.093 0.000 0.988 852 Y HN 0.593 nan 8.280 nan 0.000 0.546 853 D N -3.246 117.285 120.400 0.219 0.000 2.469 853 D HA 0.031 4.671 4.640 -0.000 0.000 0.215 853 D C 0.443 176.819 176.300 0.126 0.000 1.154 853 D CA 0.049 54.139 54.000 0.150 0.000 0.832 853 D CB -0.165 40.705 40.800 0.116 0.000 1.008 853 D HN -0.007 nan 8.370 nan 0.000 0.506 854 N N -0.966 117.808 118.700 0.124 0.000 2.980 854 N HA -0.179 4.560 4.740 -0.000 0.000 0.219 854 N C -0.081 175.498 175.510 0.116 0.000 0.883 854 N CA 1.352 54.467 53.050 0.109 0.000 1.018 854 N CB -1.683 36.869 38.487 0.108 0.000 1.041 854 N HN 0.465 nan 8.380 nan 0.000 0.592 855 T N 0.657 115.276 114.554 0.108 0.000 2.898 855 T HA 0.287 4.637 4.350 -0.000 0.000 0.301 855 T C 0.048 174.794 174.700 0.077 0.000 1.049 855 T CA 0.668 62.807 62.100 0.065 0.000 1.095 855 T CB 0.618 69.496 68.868 0.016 0.000 0.976 855 T HN 0.122 nan 8.240 nan 0.000 0.539 856 T N 6.054 120.627 114.554 0.032 0.000 2.821 856 T HA 0.471 4.821 4.350 -0.000 0.000 0.307 856 T C -0.099 174.614 174.700 0.022 0.000 1.034 856 T CA -0.583 61.552 62.100 0.059 0.000 0.953 856 T CB 0.308 69.231 68.868 0.091 0.000 0.968 856 T HN 0.544 nan 8.240 nan 0.000 0.462 857 R N 2.216 122.783 120.500 0.112 0.000 2.902 857 R HA 0.559 4.899 4.340 -0.000 0.000 0.258 857 R C 0.569 176.915 176.300 0.077 0.000 1.071 857 R CA -1.094 55.037 56.100 0.052 0.000 1.024 857 R CB 1.521 31.815 30.300 -0.011 0.000 1.184 857 R HN 0.703 nan 8.270 nan 0.000 0.492 858 N N -1.438 117.280 118.700 0.030 0.000 2.752 858 N HA 0.068 4.807 4.740 -0.000 0.000 0.316 858 N C 0.254 175.792 175.510 0.047 0.000 1.343 858 N CA -0.632 52.431 53.050 0.021 0.000 0.875 858 N CB 0.551 39.033 38.487 -0.009 0.000 1.120 858 N HN 0.462 nan 8.380 nan 0.000 0.562 859 S N -1.012 114.701 115.700 0.022 0.000 2.701 859 S HA 0.163 4.632 4.470 -0.000 0.000 0.220 859 S C 1.125 175.736 174.600 0.018 0.000 0.954 859 S CA -0.212 58.005 58.200 0.028 0.000 0.936 859 S CB -0.578 62.630 63.200 0.013 0.000 0.777 859 S HN 0.499 nan 8.310 nan 0.000 0.518 860 L N -0.039 121.189 121.223 0.007 0.000 2.781 860 L HA 0.400 4.740 4.340 -0.000 0.000 0.245 860 L C 1.613 178.469 176.870 -0.023 0.000 1.118 860 L CA 0.361 55.199 54.840 -0.003 0.000 0.918 860 L CB 0.259 42.319 42.059 0.000 0.000 1.246 860 L HN 0.520 nan 8.230 nan 0.000 0.526 861 G N 0.555 109.331 108.800 -0.040 0.000 2.141 861 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 861 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 861 G C -0.133 174.720 174.900 -0.079 0.000 0.982 861 G CA -0.068 44.977 45.100 -0.092 0.000 0.662 861 G HN 0.356 nan 8.290 nan 0.000 0.527 862 N N -0.074 118.594 118.700 -0.054 0.000 2.530 862 N HA 0.463 5.202 4.740 -0.000 0.000 0.273 862 N C 0.394 175.844 175.510 -0.100 0.000 1.173 862 N CA -0.202 52.813 53.050 -0.058 0.000 0.967 862 N CB 1.602 40.069 38.487 -0.033 0.000 1.109 862 N HN 0.145 nan 8.380 nan 0.000 0.453 863 V N 2.865 122.682 119.914 -0.163 0.000 2.530 863 V HA 0.125 4.244 4.120 -0.000 0.000 0.282 863 V C 1.026 176.973 176.094 -0.245 0.000 1.048 863 V CA -0.166 61.956 62.300 -0.297 0.000 0.997 863 V CB 0.804 32.246 31.823 -0.635 0.000 0.987 863 V HN 0.553 nan 8.190 nan 0.000 0.477 864 I N 2.613 123.068 120.570 -0.190 0.000 3.939 864 I HA 0.214 4.384 4.170 -0.000 0.000 0.313 864 I C 0.740 176.791 176.117 -0.110 0.000 1.274 864 I CA 0.701 61.934 61.300 -0.112 0.000 1.301 864 I CB 0.088 38.054 38.000 -0.057 0.000 1.105 864 I HN 0.646 nan 8.210 nan 0.000 0.427 865 Q N -1.428 118.277 119.800 -0.159 0.000 2.352 865 Q HA 0.300 4.639 4.340 -0.000 0.000 0.270 865 Q C -0.322 175.579 176.000 -0.166 0.000 1.006 865 Q CA -0.435 55.322 55.803 -0.077 0.000 0.880 865 Q CB 2.069 30.818 28.738 0.018 0.000 1.392 865 Q HN -0.050 nan 8.270 nan 0.000 0.401 866 F N 0.625 120.599 119.950 0.040 0.000 2.206 866 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 866 F C 0.784 176.620 175.800 0.060 0.000 1.090 866 F CA 0.988 59.014 58.000 0.042 0.000 1.323 866 F CB 0.497 39.513 39.000 0.027 0.000 1.028 866 F HN 0.382 nan 8.300 nan 0.000 0.492 867 I N -1.540 119.149 120.570 0.198 0.000 2.499 867 I HA 0.125 4.295 4.170 -0.000 0.000 0.288 867 I C -0.875 175.328 176.117 0.144 0.000 1.048 867 I CA -1.311 60.085 61.300 0.159 0.000 1.062 867 I CB 1.077 39.159 38.000 0.138 0.000 1.238 867 I HN -0.129 nan 8.210 nan 0.000 0.426 868 Y N 6.771 127.094 120.300 0.039 0.000 2.852 868 Y HA 0.261 4.811 4.550 -0.000 0.000 0.343 868 Y C 1.415 177.337 175.900 0.037 0.000 1.280 868 Y CA 1.126 59.241 58.100 0.025 0.000 1.604 868 Y CB -0.036 38.431 38.460 0.012 0.000 1.216 868 Y HN 0.893 nan 8.280 nan 0.000 0.541 869 G N 4.300 112.769 108.800 -0.550 0.000 2.166 869 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.260 869 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.260 869 G C 0.403 175.226 174.900 -0.129 0.000 0.986 869 G CA 0.510 45.343 45.100 -0.445 0.000 0.683 869 G HN 0.937 nan 8.290 nan 0.000 0.527 870 E N -1.582 118.585 120.200 -0.055 0.000 3.286 870 E HA -0.263 4.087 4.350 -0.000 0.000 0.292 870 E C 0.897 177.481 176.600 -0.027 0.000 0.928 870 E CA 1.393 57.784 56.400 -0.015 0.000 0.982 870 E CB -0.840 28.843 29.700 -0.028 0.000 1.500 870 E HN 0.928 nan 8.360 nan 0.000 0.441 871 D N -2.737 117.648 120.400 -0.024 0.000 2.310 871 D HA 0.077 4.717 4.640 -0.000 0.000 0.470 871 D C 1.128 177.442 176.300 0.023 0.000 1.038 871 D CA 0.706 54.707 54.000 0.001 0.000 1.012 871 D CB -0.520 40.267 40.800 -0.023 0.000 1.458 871 D HN 0.358 nan 8.370 nan 0.000 0.457 872 G N 0.813 109.643 108.800 0.049 0.000 2.168 872 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.263 872 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.263 872 G C 0.068 175.025 174.900 0.095 0.000 0.977 872 G CA 0.799 45.968 45.100 0.115 0.000 0.659 872 G HN 0.371 nan 8.290 nan 0.000 0.533 873 M N 1.502 121.123 119.600 0.036 0.000 2.249 873 M HA 0.383 4.863 4.480 -0.000 0.000 0.351 873 M C 0.300 176.684 176.300 0.140 0.000 1.180 873 M CA -1.685 53.609 55.300 -0.009 0.000 1.127 873 M CB 1.098 33.644 32.600 -0.089 0.000 1.546 873 M HN 0.250 nan 8.290 nan 0.000 0.461 874 D N 2.452 122.927 120.400 0.126 0.000 2.312 874 D HA 0.215 4.854 4.640 -0.000 0.000 0.252 874 D C 0.550 176.971 176.300 0.200 0.000 1.150 874 D CA 0.090 54.215 54.000 0.208 0.000 0.870 874 D CB 1.292 42.212 40.800 0.200 0.000 1.153 874 D HN 0.753 nan 8.370 nan 0.000 0.457 875 A N 4.245 127.186 122.820 0.202 0.000 1.958 875 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 875 A C 2.074 179.725 177.584 0.112 0.000 1.178 875 A CA 2.137 54.258 52.037 0.140 0.000 0.642 875 A CB -0.599 18.489 19.000 0.148 0.000 0.816 875 A HN 0.718 nan 8.150 nan 0.000 0.453 876 A N -2.220 120.648 122.820 0.080 0.000 2.209 876 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 876 A C 1.336 178.827 177.584 -0.153 0.000 1.158 876 A CA 0.836 52.845 52.037 -0.047 0.000 0.742 876 A CB -0.547 18.383 19.000 -0.117 0.000 0.790 876 A HN 0.658 nan 8.150 nan 0.000 0.472 877 H N -0.792 118.305 119.070 0.044 0.000 2.490 877 H HA 0.441 4.997 4.556 -0.000 0.000 0.285 877 H C -0.982 174.365 175.328 0.033 0.000 1.127 877 H CA -0.012 56.055 56.048 0.032 0.000 0.993 877 H CB -0.010 29.741 29.762 -0.018 0.000 1.653 877 H HN 0.359 nan 8.280 nan 0.000 0.557 878 I N 0.980 121.635 120.570 0.142 0.000 2.619 878 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 878 I C -0.411 175.789 176.117 0.139 0.000 1.100 878 I CA -0.674 60.703 61.300 0.127 0.000 1.043 878 I CB 2.750 40.825 38.000 0.125 0.000 1.239 878 I HN 0.019 nan 8.210 nan 0.000 0.420 879 E N 3.810 124.065 120.200 0.091 0.000 2.336 879 E HA 0.346 4.696 4.350 -0.000 0.000 0.267 879 E C -1.122 175.505 176.600 0.045 0.000 0.906 879 E CA -1.235 55.186 56.400 0.035 0.000 0.781 879 E CB 2.648 32.299 29.700 -0.082 0.000 1.261 879 E HN 0.357 nan 8.360 nan 0.000 0.436 880 K N 2.722 123.126 120.400 0.008 0.000 2.278 880 K HA 0.071 4.391 4.320 -0.000 0.000 0.289 880 K C -0.533 176.051 176.600 -0.027 0.000 1.080 880 K CA 0.210 56.484 56.287 -0.022 0.000 0.934 880 K CB 0.327 32.775 32.500 -0.087 0.000 1.093 880 K HN 0.428 nan 8.250 nan 0.000 0.459 881 Q N 1.206 121.014 119.800 0.013 0.000 2.286 881 Q HA 0.286 4.626 4.340 -0.000 0.000 0.250 881 Q C -0.574 175.428 176.000 0.003 0.000 1.021 881 Q CA -0.996 54.818 55.803 0.018 0.000 0.930 881 Q CB 1.780 30.555 28.738 0.063 0.000 1.266 881 Q HN 0.701 nan 8.270 nan 0.000 0.491 882 S N 0.010 115.716 115.700 0.011 0.000 2.519 882 S HA 0.470 4.940 4.470 -0.000 0.000 0.309 882 S C -0.611 174.016 174.600 0.044 0.000 1.100 882 S CA -0.823 57.379 58.200 0.003 0.000 1.059 882 S CB 0.448 63.639 63.200 -0.015 0.000 1.008 882 S HN 0.497 nan 8.310 nan 0.000 0.478 883 L N 4.303 125.562 121.223 0.061 0.000 2.356 883 L HA 0.245 4.585 4.340 -0.000 0.000 0.282 883 L C 0.899 177.819 176.870 0.083 0.000 1.132 883 L CA -0.608 54.282 54.840 0.084 0.000 0.923 883 L CB -0.155 41.975 42.059 0.118 0.000 1.278 883 L HN 0.780 nan 8.230 nan 0.000 0.436 884 D N 1.322 121.781 120.400 0.099 0.000 2.205 884 D HA -0.224 4.416 4.640 -0.000 0.000 0.190 884 D C 1.719 178.101 176.300 0.136 0.000 1.002 884 D CA 2.109 56.187 54.000 0.130 0.000 0.848 884 D CB -0.095 40.827 40.800 0.203 0.000 0.975 884 D HN 0.538 nan 8.370 nan 0.000 0.449 885 T N 2.214 116.838 114.554 0.117 0.000 2.684 885 T HA -0.267 4.083 4.350 -0.000 0.000 0.259 885 T C 1.960 176.720 174.700 0.099 0.000 1.086 885 T CA 1.321 63.484 62.100 0.106 0.000 1.155 885 T CB -0.438 68.450 68.868 0.033 0.000 0.848 885 T HN 0.128 nan 8.240 nan 0.000 0.464 886 I N 1.084 121.710 120.570 0.093 0.000 2.064 886 I HA -0.179 3.991 4.170 -0.000 0.000 0.234 886 I C 2.079 178.281 176.117 0.143 0.000 1.019 886 I CA 1.940 63.303 61.300 0.104 0.000 1.301 886 I CB -1.751 36.303 38.000 0.090 0.000 1.017 886 I HN 0.425 nan 8.210 nan 0.000 0.392 887 G N -1.399 107.475 108.800 0.125 0.000 2.489 887 G HA2 0.428 4.387 3.960 -0.000 0.000 0.271 887 G HA3 0.428 4.387 3.960 -0.000 0.000 0.271 887 G C 0.187 175.188 174.900 0.168 0.000 1.427 887 G CA 0.416 45.618 45.100 0.169 0.000 1.057 887 G HN 0.916 nan 8.290 nan 0.000 0.532 888 G N -1.876 107.018 108.800 0.157 0.000 2.795 888 G HA2 0.272 4.231 3.960 -0.000 0.000 0.664 888 G HA3 0.272 4.231 3.960 -0.000 0.000 0.664 888 G C 0.149 175.118 174.900 0.114 0.000 1.381 888 G CA 0.314 45.496 45.100 0.136 0.000 0.853 888 G HN 1.967 nan 8.290 nan 0.000 0.545 889 S N -0.371 115.390 115.700 0.101 0.000 2.610 889 S HA 0.525 4.994 4.470 -0.000 0.000 0.273 889 S C 1.025 175.683 174.600 0.096 0.000 1.274 889 S CA 0.338 58.580 58.200 0.070 0.000 1.023 889 S CB 1.779 65.016 63.200 0.062 0.000 0.962 889 S HN 0.618 nan 8.310 nan 0.000 0.523 890 D N 1.682 122.110 120.400 0.047 0.000 2.228 890 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 890 D C 2.064 178.466 176.300 0.169 0.000 0.988 890 D CA 1.579 55.614 54.000 0.059 0.000 0.864 890 D CB -0.369 40.434 40.800 0.005 0.000 0.928 890 D HN 0.717 nan 8.370 nan 0.000 0.469 891 A N 1.758 124.651 122.820 0.123 0.000 1.845 891 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 891 A C 2.459 180.129 177.584 0.143 0.000 1.195 891 A CA 2.212 54.320 52.037 0.118 0.000 0.616 891 A CB -0.836 18.209 19.000 0.075 0.000 0.832 891 A HN 0.252 nan 8.150 nan 0.000 0.443 892 A N -1.403 121.501 122.820 0.140 0.000 1.933 892 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 892 A C 2.075 179.781 177.584 0.202 0.000 1.175 892 A CA 1.639 53.756 52.037 0.134 0.000 0.628 892 A CB -0.778 18.292 19.000 0.117 0.000 0.814 892 A HN 0.758 nan 8.150 nan 0.000 0.444 893 F N 0.750 120.768 119.950 0.114 0.000 2.126 893 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 893 F C 2.154 178.107 175.800 0.254 0.000 1.096 893 F CA 2.314 60.414 58.000 0.167 0.000 1.255 893 F CB -0.165 38.866 39.000 0.053 0.000 0.997 893 F HN 0.434 nan 8.300 nan 0.000 0.479 894 E N 0.520 120.950 120.200 0.384 0.000 2.028 894 E HA -0.292 4.058 4.350 -0.000 0.000 0.191 894 E C 2.242 178.893 176.600 0.085 0.000 0.988 894 E CA 1.300 57.888 56.400 0.312 0.000 0.799 894 E CB -0.340 29.517 29.700 0.262 0.000 0.755 894 E HN 0.399 nan 8.360 nan 0.000 0.447 895 K N 0.352 120.768 120.400 0.026 0.000 2.442 895 K HA -0.214 4.105 4.320 -0.000 0.000 0.200 895 K C 2.086 178.626 176.600 -0.100 0.000 1.045 895 K CA 1.119 57.365 56.287 -0.068 0.000 0.937 895 K CB 0.046 32.521 32.500 -0.042 0.000 0.757 895 K HN -0.002 nan 8.250 nan 0.000 0.474 896 R N -1.195 119.252 120.500 -0.088 0.000 2.064 896 R HA 0.013 4.353 4.340 -0.000 0.000 0.210 896 R C 1.420 177.490 176.300 -0.383 0.000 1.221 896 R CA 0.606 56.554 56.100 -0.254 0.000 1.055 896 R CB -0.047 30.087 30.300 -0.277 0.000 0.946 896 R HN 0.162 nan 8.270 nan 0.000 0.459 897 Y N 0.344 120.481 120.300 -0.272 0.000 2.523 897 Y HA 0.204 4.753 4.550 -0.000 0.000 0.279 897 Y C 0.607 176.531 175.900 0.039 0.000 1.139 897 Y CA -0.077 57.896 58.100 -0.213 0.000 1.296 897 Y CB -0.006 38.154 38.460 -0.501 0.000 1.045 897 Y HN -0.109 nan 8.280 nan 0.000 0.538 898 R N 1.142 121.770 120.500 0.213 0.000 2.389 898 R HA 0.404 4.744 4.340 -0.000 0.000 0.295 898 R C -1.477 174.781 176.300 -0.069 0.000 1.075 898 R CA -0.184 55.928 56.100 0.021 0.000 1.005 898 R CB 0.285 30.446 30.300 -0.231 0.000 0.987 898 R HN -0.093 nan 8.270 nan 0.000 0.452 899 V N 5.029 124.904 119.914 -0.065 0.000 2.524 899 V HA 0.249 4.369 4.120 -0.000 0.000 0.297 899 V C -1.047 175.017 176.094 -0.051 0.000 1.035 899 V CA -0.789 61.481 62.300 -0.051 0.000 0.867 899 V CB 1.818 33.621 31.823 -0.032 0.000 1.004 899 V HN 0.736 nan 8.190 nan 0.000 0.426 900 D N 4.530 124.916 120.400 -0.025 0.000 2.464 900 D HA 0.363 5.003 4.640 -0.000 0.000 0.243 900 D C 0.912 177.210 176.300 -0.003 0.000 1.104 900 D CA -0.289 53.703 54.000 -0.013 0.000 0.883 900 D CB 1.665 42.478 40.800 0.022 0.000 1.050 900 D HN 0.431 nan 8.370 nan 0.000 0.524 901 L N 2.586 123.801 121.223 -0.014 0.000 2.456 901 L HA -0.029 4.311 4.340 -0.000 0.000 0.224 901 L C 1.766 178.626 176.870 -0.017 0.000 1.148 901 L CA 0.696 55.526 54.840 -0.015 0.000 0.825 901 L CB 0.051 42.099 42.059 -0.018 0.000 0.937 901 L HN 0.374 nan 8.230 nan 0.000 0.450 902 L N -0.797 120.415 121.223 -0.019 0.000 2.653 902 L HA 0.139 4.479 4.340 -0.000 0.000 0.231 902 L C 0.206 177.057 176.870 -0.032 0.000 1.153 902 L CA -0.049 54.778 54.840 -0.023 0.000 0.933 902 L CB -0.452 41.593 42.059 -0.022 0.000 1.175 902 L HN 0.225 nan 8.230 nan 0.000 0.473 903 N N -1.349 117.331 118.700 -0.032 0.000 2.410 903 N HA 0.148 4.888 4.740 -0.000 0.000 0.287 903 N C 0.781 176.253 175.510 -0.064 0.000 1.044 903 N CA -0.166 52.846 53.050 -0.064 0.000 0.881 903 N CB 1.621 40.053 38.487 -0.093 0.000 1.405 903 N HN -0.185 nan 8.380 nan 0.000 0.490 904 T N 1.364 115.875 114.554 -0.072 0.000 2.653 904 T HA -0.171 4.178 4.350 -0.000 0.000 0.268 904 T C 0.505 175.171 174.700 -0.056 0.000 1.035 904 T CA 1.703 63.770 62.100 -0.056 0.000 1.154 904 T CB -0.194 68.640 68.868 -0.056 0.000 0.862 904 T HN 0.619 nan 8.240 nan 0.000 0.441 905 D N -0.427 119.902 120.400 -0.118 0.000 2.355 905 D HA -0.017 4.623 4.640 -0.000 0.000 0.218 905 D C 0.430 176.794 176.300 0.105 0.000 1.004 905 D CA 0.681 54.625 54.000 -0.093 0.000 0.880 905 D CB 0.059 40.732 40.800 -0.212 0.000 0.911 905 D HN 0.456 nan 8.370 nan 0.000 0.528 906 H N -0.435 118.613 119.070 -0.037 0.000 2.562 906 H HA 0.271 4.827 4.556 -0.000 0.000 0.249 906 H C -0.120 175.178 175.328 -0.051 0.000 1.195 906 H CA -0.403 55.618 56.048 -0.046 0.000 0.938 906 H CB 0.219 29.948 29.762 -0.054 0.000 1.891 906 H HN -0.135 nan 8.280 nan 0.000 0.595 907 T N 0.227 114.820 114.554 0.066 0.000 2.949 907 T HA 0.493 4.842 4.350 -0.000 0.000 0.287 907 T C 0.137 174.834 174.700 -0.006 0.000 1.034 907 T CA -0.749 61.360 62.100 0.015 0.000 1.018 907 T CB 0.833 69.701 68.868 -0.001 0.000 1.135 907 T HN 0.195 nan 8.240 nan 0.000 0.532 908 L N 3.436 124.645 121.223 -0.024 0.000 2.530 908 L HA 0.200 4.539 4.340 -0.000 0.000 0.273 908 L C 0.985 177.837 176.870 -0.029 0.000 1.141 908 L CA -0.332 54.485 54.840 -0.038 0.000 0.905 908 L CB 0.074 42.104 42.059 -0.049 0.000 1.202 908 L HN 0.676 nan 8.230 nan 0.000 0.473 909 D N 7.044 127.428 120.400 -0.027 0.000 2.506 909 D HA -0.028 4.611 4.640 -0.000 0.000 0.234 909 D C -1.420 174.866 176.300 -0.023 0.000 1.143 909 D CA -1.064 52.924 54.000 -0.020 0.000 0.871 909 D CB 1.450 42.240 40.800 -0.017 0.000 1.190 909 D HN 0.341 nan 8.370 nan 0.000 0.459 910 P HA -0.113 nan 4.420 nan 0.000 0.236 910 P C 1.063 178.353 177.300 -0.018 0.000 1.172 910 P CA 0.578 63.666 63.100 -0.019 0.000 0.759 910 P CB 0.129 31.820 31.700 -0.016 0.000 0.843 911 S N -0.177 115.513 115.700 -0.016 0.000 2.388 911 S HA -0.048 4.422 4.470 -0.000 0.000 0.223 911 S C 2.066 176.656 174.600 -0.018 0.000 1.034 911 S CA 0.358 58.551 58.200 -0.012 0.000 0.963 911 S CB -1.446 61.750 63.200 -0.007 0.000 0.827 911 S HN 0.069 nan 8.310 nan 0.000 0.481 912 L N 0.293 121.499 121.223 -0.028 0.000 1.994 912 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 912 L C 1.325 178.168 176.870 -0.045 0.000 1.071 912 L CA 0.709 55.524 54.840 -0.042 0.000 0.745 912 L CB -0.651 41.373 42.059 -0.059 0.000 0.892 912 L HN 0.321 nan 8.230 nan 0.000 0.431 913 L N -0.686 120.510 121.223 -0.045 0.000 2.358 913 L HA 0.168 4.508 4.340 -0.000 0.000 0.268 913 L C 0.973 177.822 176.870 -0.036 0.000 1.032 913 L CA 0.237 55.048 54.840 -0.048 0.000 0.805 913 L CB 1.220 43.246 42.059 -0.055 0.000 1.253 913 L HN 0.026 nan 8.230 nan 0.000 0.452 914 E N -0.705 119.474 120.200 -0.036 0.000 2.276 914 E HA -0.012 4.337 4.350 -0.000 0.000 0.193 914 E C 0.622 177.206 176.600 -0.026 0.000 0.983 914 E CA 0.746 57.130 56.400 -0.027 0.000 0.861 914 E CB 0.329 30.014 29.700 -0.025 0.000 0.817 914 E HN 0.737 nan 8.360 nan 0.000 0.485 915 S N -0.665 115.016 115.700 -0.032 0.000 2.602 915 S HA 0.253 4.723 4.470 -0.000 0.000 0.246 915 S C 1.331 175.914 174.600 -0.028 0.000 1.009 915 S CA -0.168 58.015 58.200 -0.029 0.000 1.052 915 S CB 0.684 63.864 63.200 -0.033 0.000 0.778 915 S HN 0.283 nan 8.310 nan 0.000 0.455 916 G N 3.546 112.330 108.800 -0.027 0.000 2.771 916 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.214 916 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.214 916 G C 1.751 176.638 174.900 -0.022 0.000 1.331 916 G CA 1.531 46.616 45.100 -0.025 0.000 0.812 916 G HN 0.811 nan 8.290 nan 0.000 0.628 917 S N 1.632 117.321 115.700 -0.018 0.000 2.374 917 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 917 S C 2.091 176.681 174.600 -0.016 0.000 1.037 917 S CA 2.136 60.326 58.200 -0.016 0.000 1.024 917 S CB -0.657 62.535 63.200 -0.013 0.000 0.861 917 S HN 0.783 nan 8.310 nan 0.000 0.456 918 E N 0.539 120.729 120.200 -0.017 0.000 2.516 918 E HA 0.145 4.494 4.350 -0.000 0.000 0.199 918 E C 1.653 178.243 176.600 -0.018 0.000 1.069 918 E CA 0.544 56.934 56.400 -0.016 0.000 0.876 918 E CB -0.338 29.353 29.700 -0.015 0.000 0.843 918 E HN 0.654 nan 8.360 nan 0.000 0.530 919 I N 0.531 121.088 120.570 -0.020 0.000 3.526 919 I HA 0.075 4.245 4.170 -0.000 0.000 0.294 919 I C 1.046 177.151 176.117 -0.020 0.000 1.229 919 I CA -0.388 60.899 61.300 -0.021 0.000 1.408 919 I CB 0.455 38.439 38.000 -0.026 0.000 1.127 919 I HN 0.215 nan 8.210 nan 0.000 0.439 920 L N 2.409 123.620 121.223 -0.019 0.000 2.667 920 L HA -0.015 4.325 4.340 -0.000 0.000 0.278 920 L C 1.155 178.014 176.870 -0.018 0.000 1.217 920 L CA 1.086 55.915 54.840 -0.018 0.000 0.935 920 L CB 0.137 42.185 42.059 -0.018 0.000 1.193 920 L HN 0.537 nan 8.230 nan 0.000 0.493 921 G N 2.663 111.452 108.800 -0.018 0.000 2.159 921 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 921 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 921 G C 0.208 175.099 174.900 -0.016 0.000 0.977 921 G CA 0.226 45.316 45.100 -0.017 0.000 0.652 921 G HN 0.792 nan 8.290 nan 0.000 0.531 922 D N 0.916 121.307 120.400 -0.016 0.000 2.342 922 D HA 0.250 4.890 4.640 -0.000 0.000 0.260 922 D C 1.912 178.204 176.300 -0.013 0.000 1.278 922 D CA -0.325 53.666 54.000 -0.014 0.000 0.910 922 D CB 0.154 40.944 40.800 -0.015 0.000 1.079 922 D HN 0.224 nan 8.370 nan 0.000 0.496 923 L N 3.818 125.035 121.223 -0.011 0.000 2.131 923 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 923 L C 2.257 179.122 176.870 -0.008 0.000 1.092 923 L CA 1.077 55.911 54.840 -0.010 0.000 0.759 923 L CB -0.206 41.847 42.059 -0.009 0.000 0.903 923 L HN 0.406 nan 8.230 nan 0.000 0.435 924 K N 0.020 120.415 120.400 -0.008 0.000 2.103 924 K HA -0.084 4.235 4.320 -0.000 0.000 0.204 924 K C 2.066 178.661 176.600 -0.007 0.000 1.052 924 K CA 0.867 57.150 56.287 -0.007 0.000 0.945 924 K CB -0.119 32.376 32.500 -0.007 0.000 0.722 924 K HN 0.271 nan 8.250 nan 0.000 0.443 925 L N 1.226 122.443 121.223 -0.010 0.000 2.093 925 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 925 L C 2.377 179.242 176.870 -0.009 0.000 1.085 925 L CA 0.892 55.725 54.840 -0.012 0.000 0.755 925 L CB -0.292 41.757 42.059 -0.017 0.000 0.904 925 L HN 0.241 nan 8.230 nan 0.000 0.435 926 Q N -0.298 119.496 119.800 -0.009 0.000 2.515 926 Q HA -0.053 4.287 4.340 -0.000 0.000 0.212 926 Q C 1.916 177.915 176.000 -0.001 0.000 0.970 926 Q CA 0.589 56.387 55.803 -0.007 0.000 0.941 926 Q CB 0.268 28.999 28.738 -0.011 0.000 0.998 926 Q HN 0.387 nan 8.270 nan 0.000 0.518 927 V N -0.339 119.576 119.914 0.001 0.000 2.500 927 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 927 V C 2.188 178.289 176.094 0.012 0.000 1.039 927 V CA 0.841 63.145 62.300 0.005 0.000 1.053 927 V CB -0.258 31.567 31.823 0.002 0.000 0.695 927 V HN 0.256 nan 8.190 nan 0.000 0.463 928 L N -0.565 120.663 121.223 0.009 0.000 2.023 928 L HA -0.098 4.241 4.340 -0.000 0.000 0.205 928 L C 2.436 179.320 176.870 0.023 0.000 1.073 928 L CA 1.058 55.906 54.840 0.013 0.000 0.745 928 L CB -0.604 41.458 42.059 0.005 0.000 0.900 928 L HN 0.271 nan 8.230 nan 0.000 0.435 929 L N 0.090 121.323 121.223 0.017 0.000 2.270 929 L HA -0.264 4.076 4.340 -0.000 0.000 0.217 929 L C 1.934 178.836 176.870 0.053 0.000 1.107 929 L CA 1.793 56.648 54.840 0.026 0.000 0.772 929 L CB -0.947 41.115 42.059 0.005 0.000 0.902 929 L HN 0.363 nan 8.230 nan 0.000 0.439 930 D N -0.780 119.649 120.400 0.047 0.000 2.154 930 D HA -0.159 4.481 4.640 -0.000 0.000 0.211 930 D C 1.826 178.187 176.300 0.102 0.000 0.977 930 D CA 0.801 54.843 54.000 0.071 0.000 0.869 930 D CB 0.034 40.859 40.800 0.042 0.000 1.022 930 D HN 0.305 nan 8.370 nan 0.000 0.461 931 E N 0.962 121.200 120.200 0.064 0.000 2.200 931 E HA -0.333 4.017 4.350 -0.000 0.000 0.211 931 E C 1.770 178.409 176.600 0.065 0.000 1.048 931 E CA 1.872 58.303 56.400 0.052 0.000 0.851 931 E CB 0.000 29.719 29.700 0.030 0.000 0.747 931 E HN 0.356 nan 8.360 nan 0.000 0.462 932 E N -0.527 119.719 120.200 0.077 0.000 1.997 932 E HA -0.274 4.076 4.350 -0.000 0.000 0.201 932 E C 2.074 178.744 176.600 0.118 0.000 1.011 932 E CA 1.412 57.861 56.400 0.082 0.000 0.847 932 E CB -0.665 29.087 29.700 0.087 0.000 0.787 932 E HN 0.430 nan 8.360 nan 0.000 0.472 933 Y N 1.448 121.772 120.300 0.041 0.000 2.219 933 Y HA -0.259 4.291 4.550 -0.000 0.000 0.283 933 Y C 1.919 177.871 175.900 0.087 0.000 1.191 933 Y CA 2.219 60.359 58.100 0.067 0.000 1.199 933 Y CB 0.120 38.618 38.460 0.063 0.000 0.972 933 Y HN 0.081 nan 8.280 nan 0.000 0.527 934 K N -0.700 119.823 120.400 0.204 0.000 2.366 934 K HA -0.154 4.166 4.320 -0.000 0.000 0.198 934 K C 1.883 178.499 176.600 0.027 0.000 1.044 934 K CA 1.074 57.436 56.287 0.124 0.000 0.973 934 K CB 0.004 32.570 32.500 0.111 0.000 0.767 934 K HN 0.351 nan 8.250 nan 0.000 0.475 935 Q N 1.508 121.314 119.800 0.010 0.000 2.061 935 Q HA 0.022 4.361 4.340 -0.000 0.000 0.195 935 Q C 1.970 177.940 176.000 -0.050 0.000 0.967 935 Q CA 0.989 56.778 55.803 -0.024 0.000 0.829 935 Q CB -0.164 28.562 28.738 -0.019 0.000 0.900 935 Q HN 0.177 nan 8.270 nan 0.000 0.450 936 L N -0.008 121.177 121.223 -0.062 0.000 2.089 936 L HA -0.206 4.133 4.340 -0.000 0.000 0.213 936 L C 2.278 179.125 176.870 -0.038 0.000 1.079 936 L CA 1.232 56.025 54.840 -0.079 0.000 0.758 936 L CB -0.863 41.085 42.059 -0.185 0.000 0.891 936 L HN 0.145 nan 8.230 nan 0.000 0.433 937 V N -0.149 119.705 119.914 -0.101 0.000 2.427 937 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 937 V C 2.611 178.613 176.094 -0.153 0.000 1.051 937 V CA 1.710 63.883 62.300 -0.211 0.000 1.048 937 V CB -0.541 31.178 31.823 -0.173 0.000 0.666 937 V HN 0.428 nan 8.190 nan 0.000 0.456 938 K N 0.195 120.545 120.400 -0.083 0.000 2.009 938 K HA -0.259 4.060 4.320 -0.000 0.000 0.210 938 K C 1.888 178.472 176.600 -0.027 0.000 1.049 938 K CA 2.225 58.480 56.287 -0.054 0.000 0.929 938 K CB -0.281 32.187 32.500 -0.054 0.000 0.714 938 K HN 0.447 nan 8.250 nan 0.000 0.440 939 D N 0.118 120.499 120.400 -0.031 0.000 2.108 939 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 939 D C 1.926 178.257 176.300 0.050 0.000 0.995 939 D CA 1.266 55.285 54.000 0.033 0.000 0.834 939 D CB -0.377 40.423 40.800 0.000 0.000 0.967 939 D HN 0.228 nan 8.370 nan 0.000 0.446 940 R N 0.513 120.977 120.500 -0.060 0.000 2.153 940 R HA -0.209 4.131 4.340 -0.000 0.000 0.252 940 R C 1.845 178.096 176.300 -0.082 0.000 1.158 940 R CA 1.469 57.494 56.100 -0.124 0.000 0.975 940 R CB 0.173 30.233 30.300 -0.401 0.000 0.871 940 R HN 0.044 nan 8.270 nan 0.000 0.450 941 K N -0.148 120.212 120.400 -0.067 0.000 1.991 941 K HA -0.145 4.174 4.320 -0.000 0.000 0.207 941 K C 1.837 178.441 176.600 0.007 0.000 1.045 941 K CA 1.293 57.555 56.287 -0.042 0.000 0.937 941 K CB -0.857 31.622 32.500 -0.036 0.000 0.720 941 K HN 0.193 nan 8.250 nan 0.000 0.438 942 F N 2.434 122.327 119.950 -0.096 0.000 2.154 942 F HA -0.201 4.325 4.527 -0.000 0.000 0.301 942 F C 1.871 177.600 175.800 -0.119 0.000 1.087 942 F CA 1.287 59.223 58.000 -0.106 0.000 1.274 942 F CB -0.171 38.766 39.000 -0.105 0.000 1.009 942 F HN -0.098 nan 8.300 nan 0.000 0.485 943 L N -0.142 121.017 121.223 -0.107 0.000 2.044 943 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 943 L C 2.574 179.359 176.870 -0.142 0.000 1.075 943 L CA 1.351 56.096 54.840 -0.160 0.000 0.747 943 L CB -0.826 41.292 42.059 0.099 0.000 0.903 943 L HN 0.021 nan 8.230 nan 0.000 0.435 944 R N 0.010 120.488 120.500 -0.037 0.000 2.249 944 R HA -0.195 4.145 4.340 -0.000 0.000 0.230 944 R C 1.990 178.244 176.300 -0.076 0.000 1.121 944 R CA 1.035 57.153 56.100 0.030 0.000 0.997 944 R CB -0.124 30.216 30.300 0.066 0.000 0.867 944 R HN 0.469 nan 8.270 nan 0.000 0.465 945 E N 0.103 120.173 120.200 -0.216 0.000 2.021 945 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 945 E C 1.924 178.289 176.600 -0.392 0.000 0.980 945 E CA 0.687 56.925 56.400 -0.269 0.000 0.803 945 E CB 0.214 29.735 29.700 -0.298 0.000 0.766 945 E HN -0.005 nan 8.360 nan 0.000 0.449 946 V N 0.519 120.023 119.914 -0.682 0.000 2.220 946 V HA -0.222 3.897 4.120 -0.000 0.000 0.246 946 V C 0.880 176.542 176.094 -0.719 0.000 1.049 946 V CA 1.574 63.342 62.300 -0.887 0.000 1.003 946 V CB -0.377 30.586 31.823 -1.434 0.000 0.634 946 V HN 0.223 nan 8.190 nan 0.000 0.444 947 F N 0.502 120.257 119.950 -0.327 0.000 2.573 947 F HA 0.267 4.794 4.527 -0.000 0.000 0.349 947 F C 1.362 177.104 175.800 -0.097 0.000 1.213 947 F CA -0.552 57.330 58.000 -0.197 0.000 1.300 947 F CB -0.297 38.632 39.000 -0.119 0.000 1.661 947 F HN -0.021 nan 8.300 nan 0.000 0.616 948 V N -1.638 118.288 119.914 0.020 0.000 2.311 948 V HA -0.390 3.730 4.120 -0.000 0.000 0.256 948 V C 2.220 178.376 176.094 0.102 0.000 1.077 948 V CA 2.181 64.506 62.300 0.041 0.000 1.067 948 V CB -0.459 31.359 31.823 -0.007 0.000 0.659 948 V HN 0.578 nan 8.190 nan 0.000 0.451 949 D N 0.971 121.412 120.400 0.069 0.000 2.133 949 D HA -0.142 4.498 4.640 -0.000 0.000 0.192 949 D C 1.921 178.093 176.300 -0.215 0.000 1.001 949 D CA 2.722 56.724 54.000 0.003 0.000 0.844 949 D CB -0.308 40.513 40.800 0.035 0.000 0.944 949 D HN 0.779 nan 8.370 nan 0.000 0.447 950 G N 0.298 108.924 108.800 -0.291 0.000 2.231 950 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.206 950 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.206 950 G C 0.203 174.866 174.900 -0.395 0.000 0.996 950 G CA 0.480 45.079 45.100 -0.834 0.000 0.645 950 G HN 0.445 nan 8.290 nan 0.000 0.498 951 E N 1.168 121.252 120.200 -0.193 0.000 2.694 951 E HA 0.471 4.821 4.350 -0.000 0.000 0.250 951 E C 1.124 177.647 176.600 -0.128 0.000 0.963 951 E CA 1.079 57.377 56.400 -0.169 0.000 0.949 951 E CB 0.612 30.240 29.700 -0.120 0.000 0.911 951 E HN 0.935 nan 8.360 nan 0.000 0.500 952 A N 5.159 127.857 122.820 -0.203 0.000 2.390 952 A HA 0.148 4.467 4.320 -0.000 0.000 0.232 952 A C -0.080 177.394 177.584 -0.184 0.000 1.233 952 A CA -0.392 51.569 52.037 -0.126 0.000 0.907 952 A CB 0.109 19.069 19.000 -0.068 0.000 0.967 952 A HN 0.516 nan 8.150 nan 0.000 0.512 953 N N 0.318 118.743 118.700 -0.459 0.000 2.501 953 N HA 0.398 5.138 4.740 -0.000 0.000 0.245 953 N C -1.761 173.276 175.510 -0.789 0.000 0.974 953 N CA 0.143 52.921 53.050 -0.453 0.000 0.941 953 N CB 0.595 38.855 38.487 -0.379 0.000 1.122 953 N HN 0.429 nan 8.380 nan 0.000 0.507 954 W N 2.331 123.498 121.300 -0.222 0.000 2.936 954 W HA 0.408 5.068 4.660 -0.000 0.000 0.338 954 W C -2.119 174.362 176.519 -0.063 0.000 1.121 954 W CA -1.722 55.514 57.345 -0.183 0.000 1.209 954 W CB 1.491 30.796 29.460 -0.258 0.000 1.420 954 W HN 0.260 nan 8.180 nan 0.000 0.516 955 P HA 0.306 nan 4.420 nan 0.000 0.276 955 P C -1.041 176.376 177.300 0.195 0.000 1.243 955 P CA 0.296 63.500 63.100 0.173 0.000 0.768 955 P CB 1.101 32.919 31.700 0.197 0.000 0.856 956 L N 5.530 126.857 121.223 0.174 0.000 2.434 956 L HA 0.503 4.842 4.340 -0.000 0.000 0.260 956 L C -2.252 174.712 176.870 0.157 0.000 0.983 956 L CA -2.452 52.506 54.840 0.195 0.000 0.820 956 L CB 2.718 44.954 42.059 0.294 0.000 1.361 956 L HN 0.215 nan 8.230 nan 0.000 0.410 957 P HA 0.028 nan 4.420 nan 0.000 0.271 957 P C -0.531 176.797 177.300 0.046 0.000 1.238 957 P CA 0.031 63.098 63.100 -0.054 0.000 0.794 957 P CB 0.525 32.013 31.700 -0.353 0.000 0.959 958 V N -1.379 118.547 119.914 0.021 0.000 3.973 958 V HA -0.229 3.891 4.120 -0.000 0.000 0.478 958 V C 0.659 176.850 176.094 0.161 0.000 0.682 958 V CA 0.362 62.727 62.300 0.109 0.000 1.931 958 V CB -1.937 30.008 31.823 0.203 0.000 2.329 958 V HN 0.893 nan 8.190 nan 0.000 0.500 959 N N 5.034 123.783 118.700 0.080 0.000 2.402 959 N HA 0.248 4.988 4.740 -0.000 0.000 0.259 959 N C 0.876 176.410 175.510 0.040 0.000 1.167 959 N CA -0.016 53.064 53.050 0.050 0.000 0.949 959 N CB 0.710 39.194 38.487 -0.004 0.000 1.212 959 N HN 0.708 nan 8.380 nan 0.000 0.493 960 I N 2.353 122.958 120.570 0.058 0.000 2.546 960 I HA -0.157 4.013 4.170 -0.000 0.000 0.255 960 I C 2.466 178.550 176.117 -0.054 0.000 1.163 960 I CA 0.369 61.676 61.300 0.012 0.000 1.457 960 I CB -0.081 37.929 38.000 0.017 0.000 1.092 960 I HN 0.521 nan 8.210 nan 0.000 0.434 961 R N 1.551 122.023 120.500 -0.048 0.000 2.062 961 R HA -0.134 4.205 4.340 -0.000 0.000 0.231 961 R C 2.363 178.595 176.300 -0.113 0.000 1.136 961 R CA 1.514 57.560 56.100 -0.089 0.000 0.948 961 R CB -0.199 30.070 30.300 -0.051 0.000 0.845 961 R HN 0.282 nan 8.270 nan 0.000 0.430 962 R N 0.223 120.677 120.500 -0.077 0.000 2.073 962 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 962 R C 2.466 178.734 176.300 -0.054 0.000 1.134 962 R CA 1.662 57.718 56.100 -0.075 0.000 0.952 962 R CB -0.426 29.852 30.300 -0.035 0.000 0.850 962 R HN 0.299 nan 8.270 nan 0.000 0.433 963 I N 0.649 121.189 120.570 -0.050 0.000 2.236 963 I HA -0.343 3.827 4.170 -0.000 0.000 0.249 963 I C 2.257 178.373 176.117 -0.002 0.000 1.102 963 I CA 1.541 62.809 61.300 -0.054 0.000 1.365 963 I CB -0.220 37.720 38.000 -0.100 0.000 1.051 963 I HN 0.247 nan 8.210 nan 0.000 0.420 964 I N -0.092 120.429 120.570 -0.083 0.000 2.400 964 I HA -0.233 3.936 4.170 -0.000 0.000 0.248 964 I C 2.553 178.630 176.117 -0.067 0.000 1.109 964 I CA 0.800 62.029 61.300 -0.117 0.000 1.425 964 I CB -0.220 37.536 38.000 -0.407 0.000 1.094 964 I HN 0.269 nan 8.210 nan 0.000 0.425 965 Q N 0.745 120.464 119.800 -0.135 0.000 2.112 965 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 965 Q C 1.831 177.805 176.000 -0.043 0.000 0.987 965 Q CA 1.573 57.252 55.803 -0.206 0.000 0.858 965 Q CB -0.397 28.051 28.738 -0.483 0.000 0.905 965 Q HN 0.574 nan 8.270 nan 0.000 0.420 966 N N 1.054 119.802 118.700 0.080 0.000 2.062 966 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 966 N C 1.888 177.529 175.510 0.218 0.000 1.042 966 N CA 1.343 54.513 53.050 0.200 0.000 0.845 966 N CB -0.770 37.937 38.487 0.368 0.000 1.024 966 N HN 0.247 nan 8.380 nan 0.000 0.424 967 A N 1.847 124.956 122.820 0.482 0.000 1.923 967 A HA -0.326 3.994 4.320 -0.000 0.000 0.222 967 A C 2.182 179.906 177.584 0.233 0.000 1.258 967 A CA 2.110 54.390 52.037 0.404 0.000 0.670 967 A CB -1.004 18.259 19.000 0.438 0.000 0.834 967 A HN 0.451 nan 8.150 nan 0.000 0.470 968 Q N -0.975 118.908 119.800 0.138 0.000 1.891 968 Q HA -0.224 4.116 4.340 -0.000 0.000 0.214 968 Q C 1.854 177.882 176.000 0.047 0.000 0.995 968 Q CA 1.678 57.546 55.803 0.108 0.000 0.866 968 Q CB -0.341 28.457 28.738 0.100 0.000 0.931 968 Q HN 0.948 nan 8.270 nan 0.000 0.422 969 Q N 0.277 120.082 119.800 0.009 0.000 2.283 969 Q HA 0.055 4.395 4.340 -0.000 0.000 0.223 969 Q C 0.502 176.290 176.000 -0.353 0.000 0.918 969 Q CA 0.816 56.541 55.803 -0.130 0.000 0.952 969 Q CB 0.290 29.034 28.738 0.009 0.000 1.030 969 Q HN 0.079 nan 8.270 nan 0.000 0.452 970 T N -1.339 112.996 114.554 -0.366 0.000 2.999 970 T HA 0.235 4.585 4.350 -0.000 0.000 0.247 970 T C 0.085 174.314 174.700 -0.787 0.000 1.012 970 T CA 0.141 61.890 62.100 -0.585 0.000 1.048 970 T CB 0.068 68.493 68.868 -0.737 0.000 1.020 970 T HN 0.415 nan 8.240 nan 0.000 0.478 971 F N 0.833 120.549 119.950 -0.391 0.000 2.678 971 F HA 0.332 4.859 4.527 -0.000 0.000 0.305 971 F C 0.389 176.160 175.800 -0.049 0.000 1.090 971 F CA -0.418 57.464 58.000 -0.196 0.000 1.272 971 F CB 0.056 38.960 39.000 -0.160 0.000 1.060 971 F HN 0.164 nan 8.300 nan 0.000 0.576 972 H N 0.507 119.645 119.070 0.113 0.000 2.750 972 H HA -0.140 4.416 4.556 -0.000 0.000 0.327 972 H C 0.219 175.621 175.328 0.122 0.000 1.199 972 H CA 0.297 56.401 56.048 0.093 0.000 1.149 972 H CB -1.863 27.929 29.762 0.049 0.000 1.543 972 H HN 0.255 nan 8.280 nan 0.000 0.427 973 I N 2.939 123.626 120.570 0.196 0.000 2.452 973 I HA -0.021 4.149 4.170 -0.000 0.000 0.287 973 I C 0.977 177.237 176.117 0.239 0.000 1.079 973 I CA 0.156 61.567 61.300 0.186 0.000 1.387 973 I CB 0.634 38.722 38.000 0.146 0.000 1.404 973 I HN 0.212 nan 8.210 nan 0.000 0.522 974 D N 5.971 126.492 120.400 0.201 0.000 2.274 974 D HA 0.077 4.716 4.640 -0.000 0.000 0.239 974 D C 0.393 176.847 176.300 0.257 0.000 1.104 974 D CA -0.504 53.620 54.000 0.206 0.000 0.840 974 D CB 0.637 41.507 40.800 0.117 0.000 1.100 974 D HN 0.590 nan 8.370 nan 0.000 0.477 975 H N 1.322 120.423 119.070 0.053 0.000 2.711 975 H HA -0.045 4.510 4.556 -0.000 0.000 0.288 975 H C 1.372 176.716 175.328 0.027 0.000 1.102 975 H CA 0.489 56.562 56.048 0.040 0.000 1.212 975 H CB 0.018 29.806 29.762 0.043 0.000 1.282 975 H HN 0.582 nan 8.280 nan 0.000 0.642 976 T N -2.079 112.558 114.554 0.139 0.000 3.085 976 T HA 0.053 4.403 4.350 -0.000 0.000 0.241 976 T C 1.014 175.746 174.700 0.054 0.000 0.988 976 T CA -0.251 61.896 62.100 0.079 0.000 1.117 976 T CB 0.561 69.464 68.868 0.058 0.000 0.978 976 T HN 0.075 nan 8.240 nan 0.000 0.454 977 K N 2.396 122.828 120.400 0.054 0.000 2.118 977 K HA 0.397 4.717 4.320 -0.000 0.000 0.240 977 K C -2.472 174.141 176.600 0.022 0.000 1.035 977 K CA -1.846 54.461 56.287 0.034 0.000 0.899 977 K CB 0.346 32.868 32.500 0.035 0.000 1.085 977 K HN 0.332 nan 8.250 nan 0.000 0.498 978 P HA 0.074 nan 4.420 nan 0.000 0.296 978 P C -0.593 176.699 177.300 -0.013 0.000 1.301 978 P CA -0.433 62.663 63.100 -0.007 0.000 0.862 978 P CB 1.796 33.490 31.700 -0.010 0.000 1.046 979 S N 1.503 117.186 115.700 -0.028 0.000 2.612 979 S HA 0.060 4.530 4.470 -0.000 0.000 0.253 979 S C 0.409 174.984 174.600 -0.041 0.000 1.346 979 S CA 0.141 58.319 58.200 -0.038 0.000 0.976 979 S CB -0.225 62.937 63.200 -0.062 0.000 0.949 979 S HN 0.638 nan 8.310 nan 0.000 0.584 980 D N 1.137 121.507 120.400 -0.050 0.000 2.952 980 D HA 0.214 4.854 4.640 -0.000 0.000 0.373 980 D C -0.656 175.603 176.300 -0.068 0.000 1.360 980 D CA -0.193 53.779 54.000 -0.046 0.000 0.788 980 D CB -0.613 40.170 40.800 -0.028 0.000 1.192 980 D HN 0.289 nan 8.370 nan 0.000 0.462 981 L N 0.658 121.821 121.223 -0.101 0.000 2.309 981 L HA 0.364 4.704 4.340 -0.000 0.000 0.282 981 L C 0.553 177.345 176.870 -0.131 0.000 1.036 981 L CA -0.389 54.359 54.840 -0.154 0.000 0.806 981 L CB 1.969 43.876 42.059 -0.254 0.000 1.220 981 L HN -0.123 nan 8.230 nan 0.000 0.429 982 T N 2.578 117.059 114.554 -0.122 0.000 2.899 982 T HA 0.179 4.529 4.350 -0.000 0.000 0.295 982 T C 1.413 176.046 174.700 -0.113 0.000 1.033 982 T CA -0.266 61.779 62.100 -0.091 0.000 1.084 982 T CB 1.318 70.146 68.868 -0.067 0.000 0.979 982 T HN 0.474 nan 8.240 nan 0.000 0.532 983 I N 1.023 121.542 120.570 -0.085 0.000 2.614 983 I HA -0.135 4.034 4.170 -0.000 0.000 0.258 983 I C 2.315 178.386 176.117 -0.077 0.000 1.189 983 I CA 1.270 62.520 61.300 -0.084 0.000 1.462 983 I CB -0.015 37.951 38.000 -0.057 0.000 1.092 983 I HN 0.614 nan 8.210 nan 0.000 0.442 984 K N 0.189 120.552 120.400 -0.062 0.000 2.062 984 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 984 K C 1.623 178.189 176.600 -0.056 0.000 1.051 984 K CA 1.156 57.416 56.287 -0.044 0.000 0.941 984 K CB -0.183 32.300 32.500 -0.029 0.000 0.719 984 K HN 0.231 nan 8.250 nan 0.000 0.440 985 D N 1.394 121.740 120.400 -0.089 0.000 2.177 985 D HA -0.217 4.423 4.640 -0.000 0.000 0.189 985 D C 1.926 178.124 176.300 -0.171 0.000 1.002 985 D CA 1.358 55.288 54.000 -0.116 0.000 0.845 985 D CB -0.411 40.276 40.800 -0.189 0.000 0.960 985 D HN 0.106 nan 8.370 nan 0.000 0.447 986 I N 0.324 120.686 120.570 -0.346 0.000 2.032 986 I HA -0.294 3.876 4.170 -0.000 0.000 0.231 986 I C 2.642 178.744 176.117 -0.024 0.000 1.035 986 I CA 0.832 61.899 61.300 -0.388 0.000 1.312 986 I CB -0.738 37.053 38.000 -0.348 0.000 1.041 986 I HN -0.091 nan 8.210 nan 0.000 0.390 987 V N 1.064 120.962 119.914 -0.026 0.000 2.277 987 V HA -0.331 3.789 4.120 -0.000 0.000 0.255 987 V C 2.381 178.501 176.094 0.044 0.000 1.074 987 V CA 2.175 64.488 62.300 0.023 0.000 1.058 987 V CB -0.496 31.329 31.823 0.004 0.000 0.656 987 V HN 0.359 nan 8.190 nan 0.000 0.449 988 L N -0.612 120.631 121.223 0.033 0.000 2.240 988 L HA 0.020 4.360 4.340 -0.000 0.000 0.211 988 L C 2.446 179.360 176.870 0.073 0.000 1.106 988 L CA 1.202 56.067 54.840 0.041 0.000 0.793 988 L CB -0.778 41.295 42.059 0.024 0.000 0.927 988 L HN 0.464 nan 8.230 nan 0.000 0.446 989 G N -0.475 108.407 108.800 0.137 0.000 2.404 989 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.214 989 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.214 989 G C 1.548 176.534 174.900 0.143 0.000 1.189 989 G CA 0.769 45.986 45.100 0.196 0.000 0.789 989 G HN 0.137 nan 8.290 nan 0.000 0.533 990 V N 1.127 121.155 119.914 0.190 0.000 2.287 990 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 990 V C 2.652 178.772 176.094 0.045 0.000 1.053 990 V CA 2.366 64.729 62.300 0.106 0.000 1.027 990 V CB -0.544 31.361 31.823 0.136 0.000 0.646 990 V HN 0.414 nan 8.190 nan 0.000 0.447 991 K N -0.283 120.145 120.400 0.047 0.000 2.097 991 K HA -0.255 4.064 4.320 -0.000 0.000 0.206 991 K C 2.062 178.665 176.600 0.005 0.000 1.049 991 K CA 1.810 58.107 56.287 0.017 0.000 0.933 991 K CB -0.257 32.254 32.500 0.017 0.000 0.717 991 K HN 0.517 nan 8.250 nan 0.000 0.442 992 D N 0.448 120.858 120.400 0.017 0.000 2.137 992 D HA -0.140 4.499 4.640 -0.000 0.000 0.202 992 D C 2.014 178.305 176.300 -0.014 0.000 0.970 992 D CA 0.628 54.631 54.000 0.004 0.000 0.837 992 D CB 0.044 40.856 40.800 0.019 0.000 0.981 992 D HN 0.169 nan 8.370 nan 0.000 0.475 993 L N 1.667 122.882 121.223 -0.014 0.000 1.997 993 L HA -0.256 4.083 4.340 -0.000 0.000 0.216 993 L C 2.293 179.122 176.870 -0.068 0.000 1.074 993 L CA 2.020 56.835 54.840 -0.043 0.000 0.763 993 L CB -1.147 40.884 42.059 -0.048 0.000 0.890 993 L HN 0.068 nan 8.230 nan 0.000 0.434 994 Q N -0.613 119.151 119.800 -0.060 0.000 2.217 994 Q HA -0.251 4.088 4.340 -0.000 0.000 0.209 994 Q C 1.860 177.801 176.000 -0.098 0.000 0.988 994 Q CA 1.694 57.448 55.803 -0.081 0.000 0.878 994 Q CB -0.538 28.167 28.738 -0.056 0.000 0.909 994 Q HN 0.619 nan 8.270 nan 0.000 0.424 995 E N 0.441 120.599 120.200 -0.070 0.000 2.401 995 E HA -0.099 4.251 4.350 -0.000 0.000 0.199 995 E C 0.988 177.540 176.600 -0.080 0.000 1.023 995 E CA 0.605 56.967 56.400 -0.064 0.000 0.859 995 E CB -0.084 29.591 29.700 -0.041 0.000 0.780 995 E HN 0.439 nan 8.360 nan 0.000 0.523 996 N N -0.022 118.614 118.700 -0.107 0.000 2.220 996 N HA 0.061 4.801 4.740 -0.000 0.000 0.195 996 N C 0.446 175.835 175.510 -0.202 0.000 1.123 996 N CA 0.014 52.994 53.050 -0.117 0.000 0.874 996 N CB 0.733 39.167 38.487 -0.089 0.000 0.995 996 N HN 0.149 nan 8.380 nan 0.000 0.498 997 L N 2.154 123.163 121.223 -0.356 0.000 2.416 997 L HA 0.198 4.538 4.340 -0.000 0.000 0.243 997 L C -0.492 176.125 176.870 -0.421 0.000 1.373 997 L CA -0.269 54.081 54.840 -0.816 0.000 1.227 997 L CB -0.709 40.603 42.059 -1.245 0.000 1.428 997 L HN -0.182 nan 8.230 nan 0.000 0.425 998 L N 1.400 122.557 121.223 -0.111 0.000 2.361 998 L HA 0.111 4.451 4.340 -0.000 0.000 0.278 998 L C 0.975 177.944 176.870 0.164 0.000 1.113 998 L CA 0.473 55.331 54.840 0.030 0.000 0.849 998 L CB 1.410 43.476 42.059 0.011 0.000 1.155 998 L HN 0.140 nan 8.230 nan 0.000 0.452 999 V N 3.076 123.078 119.914 0.146 0.000 2.908 999 V HA 0.218 4.338 4.120 -0.000 0.000 0.240 999 V C 0.294 176.439 176.094 0.084 0.000 1.117 999 V CA 0.340 62.724 62.300 0.140 0.000 1.133 999 V CB 0.184 32.099 31.823 0.153 0.000 0.857 999 V HN 0.420 nan 8.190 nan 0.000 0.478 1000 L N -0.491 120.774 121.223 0.069 0.000 2.319 1000 L HA 0.586 4.926 4.340 -0.000 0.000 0.267 1000 L C 0.447 177.340 176.870 0.038 0.000 1.011 1000 L CA -0.041 54.833 54.840 0.056 0.000 0.818 1000 L CB 1.496 43.590 42.059 0.058 0.000 1.316 1000 L HN -0.074 nan 8.230 nan 0.000 0.432 1001 R N -0.019 120.501 120.500 0.033 0.000 2.668 1001 R HA 0.330 4.670 4.340 -0.000 0.000 0.435 1001 R C 0.042 176.351 176.300 0.015 0.000 1.059 1001 R CA -0.350 55.761 56.100 0.018 0.000 1.073 1001 R CB 1.023 31.329 30.300 0.011 0.000 1.401 1001 R HN 0.820 nan 8.270 nan 0.000 0.590 1002 G N 0.647 109.458 108.800 0.019 0.000 2.442 1002 G HA2 0.020 3.979 3.960 -0.000 0.000 0.249 1002 G HA3 0.020 3.979 3.960 -0.000 0.000 0.249 1002 G C -0.270 174.633 174.900 0.006 0.000 1.263 1002 G CA -0.299 44.810 45.100 0.015 0.000 0.846 1002 G HN 0.084 nan 8.290 nan 0.000 0.555 1003 K N 1.006 121.408 120.400 0.003 0.000 3.000 1003 K HA 0.179 4.499 4.320 -0.000 0.000 0.239 1003 K C -0.052 176.547 176.600 -0.002 0.000 1.269 1003 K CA -0.386 55.901 56.287 -0.001 0.000 1.220 1003 K CB -0.337 32.162 32.500 -0.003 0.000 1.645 1003 K HN 0.732 nan 8.250 nan 0.000 0.423 1004 N N -2.190 116.509 118.700 -0.002 0.000 2.708 1004 N HA 0.040 4.780 4.740 -0.000 0.000 0.257 1004 N C 0.162 175.667 175.510 -0.007 0.000 1.373 1004 N CA -0.683 52.365 53.050 -0.004 0.000 0.843 1004 N CB 1.149 39.635 38.487 -0.001 0.000 1.503 1004 N HN -0.215 nan 8.380 nan 0.000 0.504 1005 E N 0.729 120.922 120.200 -0.011 0.000 2.077 1005 E HA 0.042 4.391 4.350 -0.000 0.000 0.193 1005 E C 1.272 177.860 176.600 -0.021 0.000 0.989 1005 E CA 1.229 57.619 56.400 -0.016 0.000 0.800 1005 E CB -0.305 29.384 29.700 -0.018 0.000 0.746 1005 E HN 0.685 nan 8.360 nan 0.000 0.452 1006 I N 0.142 120.700 120.570 -0.021 0.000 2.091 1006 I HA -0.319 3.851 4.170 -0.000 0.000 0.239 1006 I C 1.917 178.020 176.117 -0.024 0.000 1.061 1006 I CA 0.959 62.241 61.300 -0.030 0.000 1.317 1006 I CB -0.184 37.798 38.000 -0.029 0.000 1.031 1006 I HN 0.189 nan 8.210 nan 0.000 0.401 1007 I N 0.304 120.869 120.570 -0.008 0.000 2.163 1007 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 1007 I C 2.596 178.713 176.117 -0.000 0.000 1.085 1007 I CA 1.562 62.865 61.300 0.005 0.000 1.347 1007 I CB -1.541 36.469 38.000 0.016 0.000 1.044 1007 I HN 0.402 nan 8.210 nan 0.000 0.408 1008 Q N 0.618 120.414 119.800 -0.007 0.000 2.096 1008 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 1008 Q C 1.985 177.974 176.000 -0.018 0.000 0.982 1008 Q CA 1.240 57.037 55.803 -0.011 0.000 0.850 1008 Q CB -0.567 28.163 28.738 -0.015 0.000 0.901 1008 Q HN 0.600 nan 8.270 nan 0.000 0.422 1009 N N 0.603 119.288 118.700 -0.025 0.000 2.084 1009 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 1009 N C 1.775 177.268 175.510 -0.029 0.000 1.030 1009 N CA 1.355 54.385 53.050 -0.034 0.000 0.849 1009 N CB -0.279 38.182 38.487 -0.043 0.000 1.012 1009 N HN 0.229 nan 8.380 nan 0.000 0.423 1010 A N 1.451 124.257 122.820 -0.024 0.000 1.927 1010 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 1010 A C 2.273 179.862 177.584 0.009 0.000 1.185 1010 A CA 2.187 54.218 52.037 -0.010 0.000 0.639 1010 A CB -0.836 18.168 19.000 0.006 0.000 0.820 1010 A HN 0.353 nan 8.150 nan 0.000 0.451 1011 Q N -0.047 119.759 119.800 0.010 0.000 2.030 1011 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 1011 Q C 2.112 178.118 176.000 0.009 0.000 0.986 1011 Q CA 2.349 58.163 55.803 0.019 0.000 0.843 1011 Q CB -0.418 28.326 28.738 0.010 0.000 0.904 1011 Q HN 0.653 nan 8.270 nan 0.000 0.420 1012 R N 0.428 120.921 120.500 -0.012 0.000 2.105 1012 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 1012 R C 2.070 178.354 176.300 -0.027 0.000 1.135 1012 R CA 1.507 57.590 56.100 -0.028 0.000 0.967 1012 R CB -0.354 29.918 30.300 -0.046 0.000 0.861 1012 R HN 0.466 nan 8.270 nan 0.000 0.442 1013 D N 0.646 121.032 120.400 -0.023 0.000 2.095 1013 D HA -0.171 4.469 4.640 -0.000 0.000 0.192 1013 D C 1.882 178.187 176.300 0.009 0.000 0.990 1013 D CA 1.719 55.706 54.000 -0.022 0.000 0.836 1013 D CB -0.460 40.328 40.800 -0.020 0.000 0.979 1013 D HN 0.245 nan 8.370 nan 0.000 0.447 1014 A N 0.535 123.374 122.820 0.031 0.000 2.159 1014 A HA -0.163 4.157 4.320 -0.000 0.000 0.222 1014 A C 2.266 179.914 177.584 0.107 0.000 1.163 1014 A CA 1.355 53.429 52.037 0.062 0.000 0.664 1014 A CB -0.345 18.701 19.000 0.076 0.000 0.803 1014 A HN 0.212 nan 8.150 nan 0.000 0.470 1015 V N -1.665 118.310 119.914 0.102 0.000 3.643 1015 V HA -0.054 4.066 4.120 -0.000 0.000 0.280 1015 V C 2.196 178.368 176.094 0.130 0.000 1.351 1015 V CA 1.179 63.577 62.300 0.163 0.000 1.073 1015 V CB -0.356 31.532 31.823 0.108 0.000 0.863 1015 V HN 0.550 nan 8.190 nan 0.000 0.436 1016 T N 1.629 116.208 114.554 0.043 0.000 2.592 1016 T HA -0.308 4.042 4.350 -0.000 0.000 0.267 1016 T C 1.900 176.621 174.700 0.035 0.000 1.060 1016 T CA 2.488 64.569 62.100 -0.031 0.000 1.167 1016 T CB -0.358 68.444 68.868 -0.109 0.000 0.863 1016 T HN 0.333 nan 8.240 nan 0.000 0.431 1017 L N 0.425 121.719 121.223 0.119 0.000 2.046 1017 L HA 0.076 4.415 4.340 -0.000 0.000 0.208 1017 L C 2.078 179.050 176.870 0.170 0.000 1.077 1017 L CA 1.555 56.493 54.840 0.165 0.000 0.747 1017 L CB -1.035 41.114 42.059 0.150 0.000 0.896 1017 L HN 0.251 nan 8.230 nan 0.000 0.432 1018 F N -0.107 119.905 119.950 0.104 0.000 2.095 1018 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 1018 F C 2.494 178.346 175.800 0.088 0.000 1.104 1018 F CA 1.837 59.915 58.000 0.130 0.000 1.232 1018 F CB -0.966 38.170 39.000 0.227 0.000 0.987 1018 F HN 0.218 nan 8.300 nan 0.000 0.475 1019 C N -0.161 119.109 119.300 -0.050 0.000 2.413 1019 C HA -0.242 4.218 4.460 -0.000 0.000 0.276 1019 C C 3.063 177.953 174.990 -0.167 0.000 1.236 1019 C CA 1.177 60.095 59.018 -0.167 0.000 1.735 1019 C CB -1.789 25.915 27.740 -0.060 0.000 2.031 1019 C HN 0.717 nan 8.230 nan 0.000 0.474 1020 C N 0.278 119.532 119.300 -0.076 0.000 2.396 1020 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 1020 C C 2.520 177.474 174.990 -0.061 0.000 1.231 1020 C CA 1.266 60.263 59.018 -0.035 0.000 1.775 1020 C CB -1.697 26.077 27.740 0.057 0.000 2.036 1020 C HN 0.675 nan 8.230 nan 0.000 0.484 1021 L N 0.454 121.607 121.223 -0.117 0.000 2.027 1021 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 1021 L C 2.298 179.043 176.870 -0.209 0.000 1.074 1021 L CA 1.642 56.401 54.840 -0.137 0.000 0.745 1021 L CB -0.948 41.011 42.059 -0.166 0.000 0.898 1021 L HN 0.262 nan 8.230 nan 0.000 0.433 1022 L N -0.024 120.953 121.223 -0.410 0.000 1.970 1022 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 1022 L C 2.712 179.516 176.870 -0.110 0.000 1.071 1022 L CA 1.936 56.580 54.840 -0.327 0.000 0.751 1022 L CB -0.648 41.156 42.059 -0.424 0.000 0.889 1022 L HN 0.262 nan 8.230 nan 0.000 0.432 1023 R N -1.122 119.329 120.500 -0.082 0.000 2.120 1023 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 1023 R C 2.512 178.845 176.300 0.056 0.000 1.123 1023 R CA 1.241 57.339 56.100 -0.004 0.000 0.975 1023 R CB -0.732 29.556 30.300 -0.020 0.000 0.866 1023 R HN 0.478 nan 8.270 nan 0.000 0.446 1024 S N 0.568 116.290 115.700 0.038 0.000 2.365 1024 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 1024 S C 1.693 176.436 174.600 0.239 0.000 1.039 1024 S CA 1.228 59.502 58.200 0.123 0.000 1.033 1024 S CB 0.062 63.306 63.200 0.073 0.000 0.887 1024 S HN 0.218 nan 8.310 nan 0.000 0.447 1025 R N 0.304 120.893 120.500 0.149 0.000 2.312 1025 R HA 0.327 4.667 4.340 -0.000 0.000 0.205 1025 R C 0.501 176.949 176.300 0.247 0.000 0.904 1025 R CA 0.173 56.397 56.100 0.206 0.000 1.052 1025 R CB -0.325 30.061 30.300 0.144 0.000 1.014 1025 R HN 0.425 nan 8.270 nan 0.000 0.503 1026 L N 1.083 122.410 121.223 0.174 0.000 3.141 1026 L HA 0.436 4.776 4.340 -0.000 0.000 0.263 1026 L C 0.012 176.981 176.870 0.166 0.000 1.312 1026 L CA -0.554 54.413 54.840 0.211 0.000 1.012 1026 L CB 0.750 42.911 42.059 0.170 0.000 1.408 1026 L HN -0.101 nan 8.230 nan 0.000 0.559 1027 A N -0.383 122.508 122.820 0.118 0.000 2.354 1027 A HA 0.404 4.724 4.320 -0.000 0.000 0.269 1027 A C 1.391 178.970 177.584 -0.008 0.000 1.109 1027 A CA -0.136 51.951 52.037 0.084 0.000 0.800 1027 A CB 0.594 19.690 19.000 0.160 0.000 1.045 1027 A HN 0.360 nan 8.150 nan 0.000 0.489 1028 T N 1.820 116.368 114.554 -0.010 0.000 2.653 1028 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 1028 T C 2.143 176.770 174.700 -0.121 0.000 1.035 1028 T CA 1.716 63.778 62.100 -0.064 0.000 1.154 1028 T CB -0.229 68.609 68.868 -0.049 0.000 0.862 1028 T HN 0.619 nan 8.240 nan 0.000 0.441 1029 R N 0.737 121.153 120.500 -0.140 0.000 2.094 1029 R HA -0.021 4.319 4.340 -0.000 0.000 0.239 1029 R C 2.637 178.765 176.300 -0.288 0.000 1.137 1029 R CA 1.694 57.672 56.100 -0.203 0.000 0.943 1029 R CB -0.523 29.632 30.300 -0.242 0.000 0.850 1029 R HN 0.321 nan 8.270 nan 0.000 0.433 1030 R N -0.350 119.923 120.500 -0.378 0.000 2.070 1030 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 1030 R C 2.268 178.163 176.300 -0.676 0.000 1.138 1030 R CA 1.494 57.255 56.100 -0.564 0.000 0.936 1030 R CB -0.566 29.398 30.300 -0.560 0.000 0.839 1030 R HN 0.019 nan 8.270 nan 0.000 0.429 1031 V N 0.854 120.537 119.914 -0.385 0.000 2.636 1031 V HA -0.254 3.866 4.120 -0.000 0.000 0.258 1031 V C 1.831 177.842 176.094 -0.139 0.000 1.092 1031 V CA 1.671 63.895 62.300 -0.126 0.000 1.110 1031 V CB -0.427 31.447 31.823 0.086 0.000 0.685 1031 V HN 0.311 nan 8.190 nan 0.000 0.481 1032 L N -1.771 119.327 121.223 -0.207 0.000 2.519 1032 L HA 0.081 4.421 4.340 -0.000 0.000 0.194 1032 L C 2.345 179.113 176.870 -0.171 0.000 1.072 1032 L CA 0.801 55.547 54.840 -0.156 0.000 0.845 1032 L CB -0.417 41.561 42.059 -0.135 0.000 1.138 1032 L HN 0.160 nan 8.230 nan 0.000 0.487 1033 Q N 0.314 119.991 119.800 -0.204 0.000 2.137 1033 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 1033 Q C 1.784 177.660 176.000 -0.208 0.000 0.960 1033 Q CA 1.306 57.001 55.803 -0.179 0.000 0.847 1033 Q CB 0.369 29.003 28.738 -0.174 0.000 0.915 1033 Q HN 0.410 nan 8.270 nan 0.000 0.448 1034 E N -0.257 119.749 120.200 -0.323 0.000 2.023 1034 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 1034 E C -0.194 176.259 176.600 -0.244 0.000 0.964 1034 E CA 0.374 56.582 56.400 -0.320 0.000 0.845 1034 E CB -0.201 29.195 29.700 -0.505 0.000 0.813 1034 E HN 0.363 nan 8.360 nan 0.000 0.476 1035 Y N 1.024 121.245 120.300 -0.131 0.000 2.504 1035 Y HA 0.298 4.848 4.550 -0.000 0.000 0.351 1035 Y C 0.615 176.427 175.900 -0.146 0.000 0.988 1035 Y CA -0.907 57.102 58.100 -0.150 0.000 1.239 1035 Y CB 0.274 38.699 38.460 -0.059 0.000 1.128 1035 Y HN -0.226 nan 8.280 nan 0.000 0.525 1036 R N 3.733 124.162 120.500 -0.118 0.000 4.219 1036 R HA 0.040 4.379 4.340 -0.000 0.000 0.203 1036 R C -0.099 176.203 176.300 0.005 0.000 2.173 1036 R CA -0.018 56.038 56.100 -0.074 0.000 1.776 1036 R CB -1.019 29.226 30.300 -0.091 0.000 1.150 1036 R HN 0.815 nan 8.270 nan 0.000 0.637 1037 L N 1.218 122.487 121.223 0.077 0.000 2.573 1037 L HA -0.094 4.245 4.340 -0.000 0.000 0.290 1037 L C 1.347 178.229 176.870 0.020 0.000 1.247 1037 L CA 0.917 55.810 54.840 0.087 0.000 0.876 1037 L CB -0.099 42.096 42.059 0.226 0.000 1.123 1037 L HN 0.253 nan 8.230 nan 0.000 0.505 1038 T N -0.740 113.798 114.554 -0.027 0.000 2.944 1038 T HA 0.237 4.587 4.350 -0.000 0.000 0.284 1038 T C 0.798 175.472 174.700 -0.043 0.000 1.010 1038 T CA -0.906 61.164 62.100 -0.050 0.000 1.025 1038 T CB 1.956 70.784 68.868 -0.066 0.000 1.079 1038 T HN 0.544 nan 8.240 nan 0.000 0.516 1039 K N 0.549 120.923 120.400 -0.042 0.000 2.089 1039 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 1039 K C 2.249 178.858 176.600 0.014 0.000 1.048 1039 K CA 2.231 58.513 56.287 -0.009 0.000 0.926 1039 K CB -0.704 31.785 32.500 -0.018 0.000 0.714 1039 K HN 0.785 nan 8.250 nan 0.000 0.448 1040 Q N -0.566 119.186 119.800 -0.080 0.000 1.967 1040 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 1040 Q C 1.982 177.782 176.000 -0.334 0.000 0.985 1040 Q CA 2.023 57.731 55.803 -0.158 0.000 0.839 1040 Q CB -0.473 28.147 28.738 -0.196 0.000 0.906 1040 Q HN 0.391 nan 8.270 nan 0.000 0.423 1041 A N 0.576 122.972 122.820 -0.706 0.000 1.896 1041 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 1041 A C 1.933 179.487 177.584 -0.051 0.000 1.206 1041 A CA 1.930 53.542 52.037 -0.707 0.000 0.647 1041 A CB -1.379 17.332 19.000 -0.483 0.000 0.828 1041 A HN 0.649 nan 8.150 nan 0.000 0.455 1042 F N 0.988 120.881 119.950 -0.095 0.000 2.065 1042 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 1042 F C 1.827 177.656 175.800 0.049 0.000 1.112 1042 F CA 2.432 60.435 58.000 0.006 0.000 1.212 1042 F CB -0.471 38.525 39.000 -0.006 0.000 0.975 1042 F HN 0.283 nan 8.300 nan 0.000 0.476 1043 D N -1.090 119.437 120.400 0.212 0.000 2.271 1043 D HA -0.231 4.409 4.640 -0.000 0.000 0.207 1043 D C 1.597 177.966 176.300 0.115 0.000 0.983 1043 D CA 1.255 55.336 54.000 0.136 0.000 0.878 1043 D CB -0.431 40.464 40.800 0.158 0.000 0.920 1043 D HN 0.530 nan 8.370 nan 0.000 0.479 1044 W N 0.484 121.744 121.300 -0.066 0.000 2.519 1044 W HA -0.084 4.576 4.660 -0.000 0.000 0.313 1044 W C 2.153 178.640 176.519 -0.053 0.000 1.156 1044 W CA 0.758 58.103 57.345 -0.001 0.000 1.394 1044 W CB -0.648 28.874 29.460 0.102 0.000 1.154 1044 W HN -0.247 nan 8.180 nan 0.000 0.498 1045 V N 1.793 121.757 119.914 0.084 0.000 2.250 1045 V HA -0.412 3.708 4.120 -0.000 0.000 0.253 1045 V C 2.424 178.356 176.094 -0.270 0.000 1.065 1045 V CA 2.307 64.515 62.300 -0.154 0.000 1.039 1045 V CB -1.516 30.230 31.823 -0.130 0.000 0.647 1045 V HN 0.279 nan 8.190 nan 0.000 0.446 1046 L N -0.059 120.964 121.223 -0.334 0.000 2.013 1046 L HA -0.257 4.082 4.340 -0.000 0.000 0.212 1046 L C 2.763 179.518 176.870 -0.192 0.000 1.073 1046 L CA 2.145 56.808 54.840 -0.296 0.000 0.753 1046 L CB -0.795 41.061 42.059 -0.340 0.000 0.890 1046 L HN 0.442 nan 8.230 nan 0.000 0.432 1047 S N -0.271 115.322 115.700 -0.179 0.000 2.370 1047 S HA -0.180 4.289 4.470 -0.000 0.000 0.226 1047 S C 1.756 176.237 174.600 -0.198 0.000 1.033 1047 S CA 1.539 59.647 58.200 -0.154 0.000 1.011 1047 S CB -0.186 62.941 63.200 -0.122 0.000 0.852 1047 S HN 0.437 nan 8.310 nan 0.000 0.457 1048 N N 1.208 119.714 118.700 -0.323 0.000 2.051 1048 N HA -0.008 4.731 4.740 -0.000 0.000 0.192 1048 N C 1.909 177.329 175.510 -0.150 0.000 1.049 1048 N CA 1.567 54.437 53.050 -0.301 0.000 0.845 1048 N CB -0.679 37.511 38.487 -0.495 0.000 1.031 1048 N HN 0.382 nan 8.380 nan 0.000 0.425 1049 I N 1.743 122.241 120.570 -0.121 0.000 2.188 1049 I HA -0.389 3.781 4.170 -0.000 0.000 0.246 1049 I C 2.577 178.723 176.117 0.048 0.000 1.033 1049 I CA 1.606 62.916 61.300 0.015 0.000 1.307 1049 I CB -0.358 37.665 38.000 0.039 0.000 1.005 1049 I HN 0.361 nan 8.210 nan 0.000 0.421 1050 E N 0.902 121.090 120.200 -0.019 0.000 2.005 1050 E HA -0.268 4.082 4.350 -0.000 0.000 0.198 1050 E C 2.238 178.853 176.600 0.025 0.000 1.010 1050 E CA 1.596 57.989 56.400 -0.013 0.000 0.825 1050 E CB -0.198 29.471 29.700 -0.051 0.000 0.769 1050 E HN 0.448 nan 8.360 nan 0.000 0.456 1051 A N 0.669 123.476 122.820 -0.021 0.000 1.869 1051 A HA -0.375 3.945 4.320 -0.000 0.000 0.218 1051 A C 2.231 179.811 177.584 -0.007 0.000 1.203 1051 A CA 2.392 54.417 52.037 -0.020 0.000 0.638 1051 A CB -1.195 17.775 19.000 -0.050 0.000 0.831 1051 A HN 0.511 nan 8.150 nan 0.000 0.450 1052 Q N -1.711 118.079 119.800 -0.017 0.000 2.062 1052 Q HA -0.240 4.100 4.340 -0.000 0.000 0.209 1052 Q C 1.815 177.794 176.000 -0.036 0.000 0.996 1052 Q CA 2.452 58.245 55.803 -0.017 0.000 0.859 1052 Q CB -0.375 28.358 28.738 -0.009 0.000 0.920 1052 Q HN 0.706 nan 8.270 nan 0.000 0.415 1053 F N 0.331 120.188 119.950 -0.155 0.000 2.000 1053 F HA -0.316 4.211 4.527 -0.000 0.000 0.296 1053 F C 1.815 177.497 175.800 -0.197 0.000 1.159 1053 F CA 1.951 59.803 58.000 -0.247 0.000 1.183 1053 F CB -0.513 38.311 39.000 -0.293 0.000 0.959 1053 F HN 0.084 nan 8.300 nan 0.000 0.490 1054 L N 0.201 121.562 121.223 0.230 0.000 2.123 1054 L HA -0.351 3.988 4.340 -0.000 0.000 0.217 1054 L C 2.552 179.351 176.870 -0.117 0.000 1.081 1054 L CA 1.982 56.869 54.840 0.079 0.000 0.772 1054 L CB -0.686 41.409 42.059 0.059 0.000 0.890 1054 L HN 0.201 nan 8.230 nan 0.000 0.437 1055 R N -1.199 119.212 120.500 -0.149 0.000 2.148 1055 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 1055 R C 2.310 178.335 176.300 -0.458 0.000 1.088 1055 R CA 1.199 57.165 56.100 -0.223 0.000 0.985 1055 R CB -0.198 30.010 30.300 -0.154 0.000 0.880 1055 R HN 0.269 nan 8.270 nan 0.000 0.451 1056 S N 0.285 115.701 115.700 -0.474 0.000 2.489 1056 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 1056 S C 0.766 175.146 174.600 -0.368 0.000 0.995 1056 S CA 0.149 58.039 58.200 -0.517 0.000 0.934 1056 S CB 0.182 63.135 63.200 -0.412 0.000 0.771 1056 S HN -0.023 nan 8.310 nan 0.000 0.522 1057 V N 2.809 122.518 119.914 -0.341 0.000 2.763 1057 V HA 0.035 4.155 4.120 -0.000 0.000 0.306 1057 V C 0.754 176.810 176.094 -0.064 0.000 1.059 1057 V CA -0.279 61.904 62.300 -0.196 0.000 1.138 1057 V CB 0.531 32.266 31.823 -0.146 0.000 0.940 1057 V HN 0.096 nan 8.190 nan 0.000 0.489 1058 V N 5.020 124.950 119.914 0.026 0.000 2.872 1058 V HA -0.002 4.117 4.120 -0.000 0.000 0.307 1058 V C 0.566 176.712 176.094 0.087 0.000 1.072 1058 V CA 0.017 62.368 62.300 0.084 0.000 1.148 1058 V CB 0.087 31.946 31.823 0.060 0.000 0.954 1058 V HN 0.793 nan 8.190 nan 0.000 0.490 1059 H N 4.785 123.808 119.070 -0.077 0.000 2.652 1059 H HA 0.223 4.778 4.556 -0.000 0.000 0.298 1059 H C -2.255 173.012 175.328 -0.102 0.000 1.076 1059 H CA -1.969 54.044 56.048 -0.057 0.000 1.360 1059 H CB 1.190 30.929 29.762 -0.038 0.000 1.421 1059 H HN 0.464 nan 8.280 nan 0.000 0.464 1060 P HA -0.081 nan 4.420 nan 0.000 0.258 1060 P C 0.838 177.972 177.300 -0.277 0.000 1.187 1060 P CA 1.126 64.090 63.100 -0.226 0.000 0.767 1060 P CB 0.524 32.002 31.700 -0.368 0.000 0.770 1061 G N 2.803 111.440 108.800 -0.271 0.000 3.876 1061 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.203 1061 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.203 1061 G C -0.160 174.617 174.900 -0.206 0.000 1.162 1061 G CA -0.552 44.419 45.100 -0.216 0.000 0.903 1061 G HN 0.413 nan 8.290 nan 0.000 0.390 1062 E N 2.615 122.707 120.200 -0.180 0.000 3.306 1062 E HA -0.029 4.321 4.350 -0.000 0.000 0.230 1062 E C 0.625 177.084 176.600 -0.234 0.000 0.992 1062 E CA 0.518 56.795 56.400 -0.205 0.000 0.938 1062 E CB -0.023 29.527 29.700 -0.250 0.000 0.904 1062 E HN 0.297 nan 8.360 nan 0.000 0.568 1063 M N 4.265 123.754 119.600 -0.185 0.000 3.447 1063 M HA -0.030 4.450 4.480 -0.000 0.000 0.217 1063 M C 1.086 177.297 176.300 -0.149 0.000 1.597 1063 M CA 0.011 55.211 55.300 -0.167 0.000 1.695 1063 M CB -0.811 31.709 32.600 -0.135 0.000 1.196 1063 M HN 0.123 nan 8.290 nan 0.000 0.538 1064 V N 0.843 120.646 119.914 -0.185 0.000 2.867 1064 V HA -0.153 3.967 4.120 -0.000 0.000 0.260 1064 V C 2.277 178.358 176.094 -0.021 0.000 1.099 1064 V CA 1.769 64.004 62.300 -0.108 0.000 1.122 1064 V CB -1.414 30.305 31.823 -0.174 0.000 0.708 1064 V HN 0.808 nan 8.190 nan 0.000 0.490 1065 G N 1.026 109.789 108.800 -0.063 0.000 2.666 1065 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 1065 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 1065 G C 1.607 176.463 174.900 -0.074 0.000 1.294 1065 G CA 1.468 46.529 45.100 -0.064 0.000 0.811 1065 G HN 0.343 nan 8.290 nan 0.000 0.594 1066 V N 1.304 121.162 119.914 -0.093 0.000 2.317 1066 V HA -0.195 3.924 4.120 -0.000 0.000 0.251 1066 V C 2.765 178.803 176.094 -0.095 0.000 1.065 1066 V CA 1.628 63.869 62.300 -0.098 0.000 1.049 1066 V CB -0.771 30.996 31.823 -0.094 0.000 0.651 1066 V HN 0.321 nan 8.190 nan 0.000 0.450 1067 L N 0.780 121.951 121.223 -0.085 0.000 2.013 1067 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 1067 L C 2.513 179.286 176.870 -0.161 0.000 1.073 1067 L CA 2.929 57.707 54.840 -0.103 0.000 0.753 1067 L CB -1.529 40.501 42.059 -0.048 0.000 0.890 1067 L HN 0.354 nan 8.230 nan 0.000 0.432 1068 A N -0.770 122.024 122.820 -0.043 0.000 1.898 1068 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 1068 A C 2.477 180.006 177.584 -0.091 0.000 1.181 1068 A CA 1.796 53.826 52.037 -0.012 0.000 0.620 1068 A CB -0.862 18.230 19.000 0.153 0.000 0.819 1068 A HN 0.554 nan 8.150 nan 0.000 0.442 1069 A N -0.198 122.566 122.820 -0.093 0.000 1.859 1069 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 1069 A C 2.134 179.650 177.584 -0.113 0.000 1.198 1069 A CA 1.900 53.868 52.037 -0.113 0.000 0.629 1069 A CB -0.783 18.138 19.000 -0.132 0.000 0.830 1069 A HN 0.661 nan 8.150 nan 0.000 0.446 1070 Q N -0.597 119.134 119.800 -0.115 0.000 2.167 1070 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 1070 Q C 2.330 178.264 176.000 -0.110 0.000 0.970 1070 Q CA 1.498 57.245 55.803 -0.093 0.000 0.855 1070 Q CB -0.218 28.480 28.738 -0.066 0.000 0.911 1070 Q HN 0.607 nan 8.270 nan 0.000 0.438 1071 S N 0.426 115.998 115.700 -0.214 0.000 2.447 1071 S HA -0.025 4.445 4.470 -0.000 0.000 0.233 1071 S C 1.806 176.310 174.600 -0.160 0.000 1.006 1071 S CA 0.723 58.751 58.200 -0.287 0.000 0.957 1071 S CB 0.034 62.759 63.200 -0.792 0.000 0.773 1071 S HN 0.288 nan 8.310 nan 0.000 0.507 1072 I N 0.432 120.932 120.570 -0.116 0.000 2.512 1072 I HA 0.049 4.218 4.170 -0.000 0.000 0.247 1072 I C 2.719 178.794 176.117 -0.070 0.000 1.094 1072 I CA 0.740 61.997 61.300 -0.073 0.000 1.427 1072 I CB -0.956 37.007 38.000 -0.060 0.000 1.149 1072 I HN 0.324 nan 8.210 nan 0.000 0.438 1073 G N 0.884 109.638 108.800 -0.077 0.000 2.476 1073 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.218 1073 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.218 1073 G C 1.535 176.394 174.900 -0.068 0.000 1.164 1073 G CA 0.887 45.945 45.100 -0.069 0.000 0.768 1073 G HN 0.335 nan 8.290 nan 0.000 0.560 1074 E N 1.189 121.345 120.200 -0.074 0.000 2.033 1074 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 1074 E C 0.060 176.614 176.600 -0.078 0.000 1.011 1074 E CA 1.717 58.058 56.400 -0.099 0.000 0.815 1074 E CB -0.974 28.671 29.700 -0.091 0.000 0.755 1074 E HN 0.394 nan 8.360 nan 0.000 0.451 1075 P HA -0.026 nan 4.420 nan 0.000 0.239 1075 P C 0.582 177.857 177.300 -0.042 0.000 1.184 1075 P CA 1.124 64.200 63.100 -0.040 0.000 0.760 1075 P CB -0.018 31.664 31.700 -0.031 0.000 0.884 1076 A N -0.402 122.391 122.820 -0.045 0.000 2.178 1076 A HA 0.040 4.360 4.320 -0.000 0.000 0.211 1076 A C 2.000 179.564 177.584 -0.033 0.000 1.157 1076 A CA 1.099 53.114 52.037 -0.037 0.000 0.780 1076 A CB -1.090 17.890 19.000 -0.035 0.000 0.828 1076 A HN 0.141 nan 8.150 nan 0.000 0.476 1077 T N 0.022 114.549 114.554 -0.044 0.000 3.054 1077 T HA -0.022 4.328 4.350 -0.000 0.000 0.259 1077 T C 1.383 176.059 174.700 -0.041 0.000 1.092 1077 T CA 0.738 62.811 62.100 -0.044 0.000 1.121 1077 T CB -0.011 68.818 68.868 -0.065 0.000 0.912 1077 T HN 0.426 nan 8.240 nan 0.000 0.489 1078 Q N 0.768 120.543 119.800 -0.041 0.000 2.280 1078 Q HA 0.269 4.608 4.340 -0.000 0.000 0.202 1078 Q C 0.188 176.175 176.000 -0.023 0.000 0.903 1078 Q CA 0.111 55.894 55.803 -0.032 0.000 0.948 1078 Q CB -0.273 28.447 28.738 -0.030 0.000 1.058 1078 Q HN 0.563 nan 8.270 nan 0.000 0.493 1079 M N 1.439 121.026 119.600 -0.022 0.000 2.974 1079 M HA 0.107 4.587 4.480 -0.000 0.000 0.301 1079 M C -0.098 176.195 176.300 -0.012 0.000 1.409 1079 M CA 0.111 55.401 55.300 -0.017 0.000 1.515 1079 M CB -0.103 32.486 32.600 -0.018 0.000 1.163 1079 M HN -0.227 nan 8.290 nan 0.000 0.520 1080 T N 4.469 119.017 114.554 -0.010 0.000 3.416 1080 T HA 0.253 4.603 4.350 -0.000 0.000 0.247 1080 T C 0.587 175.285 174.700 -0.003 0.000 0.973 1080 T CA 0.266 62.362 62.100 -0.006 0.000 1.166 1080 T CB -0.618 68.249 68.868 -0.002 0.000 1.040 1080 T HN 0.453 nan 8.240 nan 0.000 0.746 1092 K N 2.052 122.474 120.400 0.038 0.000 2.309 1092 K HA 0.260 4.579 4.320 -0.000 0.000 0.210 1092 K C -0.237 176.376 176.600 0.023 0.000 1.114 1092 K CA -0.161 56.142 56.287 0.026 0.000 0.912 1092 K CB -0.274 32.237 32.500 0.017 0.000 1.198 1092 K HN 0.318 nan 8.250 nan 0.000 0.471 1093 K N 2.576 122.987 120.400 0.017 0.000 2.320 1093 K HA 0.030 4.350 4.320 -0.000 0.000 0.269 1093 K C -0.999 175.611 176.600 0.017 0.000 1.182 1093 K CA 0.456 56.750 56.287 0.013 0.000 1.190 1093 K CB -0.227 32.277 32.500 0.007 0.000 0.850 1093 K HN 0.003 nan 8.250 nan 0.000 0.467 1094 V N 2.275 122.199 119.914 0.017 0.000 2.924 1094 V HA 0.170 4.290 4.120 -0.000 0.000 0.300 1094 V C -0.216 175.889 176.094 0.018 0.000 1.227 1094 V CA -1.290 61.022 62.300 0.020 0.000 0.954 1094 V CB 2.134 33.976 31.823 0.032 0.000 1.055 1094 V HN 0.706 nan 8.190 nan 0.000 0.429 1095 T N 2.598 117.162 114.554 0.017 0.000 2.923 1095 T HA 0.336 4.685 4.350 -0.000 0.000 0.320 1095 T C 0.222 174.934 174.700 0.020 0.000 1.074 1095 T CA 0.765 62.875 62.100 0.017 0.000 1.131 1095 T CB 0.555 69.435 68.868 0.019 0.000 1.058 1095 T HN 1.000 nan 8.240 nan 0.000 0.535 1096 S N 0.045 115.754 115.700 0.016 0.000 2.595 1096 S HA 0.629 5.099 4.470 -0.000 0.000 0.270 1096 S C 0.073 174.676 174.600 0.006 0.000 1.145 1096 S CA 0.327 58.534 58.200 0.011 0.000 0.825 1096 S CB 1.000 64.203 63.200 0.006 0.000 1.107 1096 S HN 1.786 nan 8.310 nan 0.000 0.461 1097 G N 1.572 110.370 108.800 -0.003 0.000 2.645 1097 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 1097 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 1097 G C 0.856 175.756 174.900 0.001 0.000 1.322 1097 G CA 0.028 45.124 45.100 -0.007 0.000 0.898 1097 G HN 1.553 nan 8.290 nan 0.000 0.573 1098 V N 2.819 122.733 119.914 0.000 0.000 2.236 1098 V HA -0.256 3.864 4.120 -0.000 0.000 0.255 1098 V C 1.012 177.118 176.094 0.020 0.000 1.068 1098 V CA 3.639 65.944 62.300 0.008 0.000 1.044 1098 V CB -1.604 30.224 31.823 0.009 0.000 0.653 1098 V HN 0.832 nan 8.190 nan 0.000 0.448 1099 P HA -0.223 nan 4.420 nan 0.000 0.217 1099 P C 1.525 178.844 177.300 0.031 0.000 1.148 1099 P CA 1.866 64.982 63.100 0.026 0.000 0.828 1099 P CB -0.091 31.620 31.700 0.019 0.000 0.783 1100 R N 0.392 120.909 120.500 0.028 0.000 2.062 1100 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 1100 R C 2.344 178.674 176.300 0.051 0.000 1.128 1100 R CA 1.016 57.139 56.100 0.038 0.000 0.960 1100 R CB -1.889 28.430 30.300 0.032 0.000 0.855 1100 R HN 0.105 nan 8.270 nan 0.000 0.432 1101 L N 1.247 122.492 121.223 0.035 0.000 2.042 1101 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 1101 L C 2.145 179.046 176.870 0.052 0.000 1.076 1101 L CA 2.086 56.947 54.840 0.035 0.000 0.749 1101 L CB -0.675 41.390 42.059 0.009 0.000 0.893 1101 L HN 0.282 nan 8.230 nan 0.000 0.432 1102 K N -0.591 119.840 120.400 0.051 0.000 2.152 1102 K HA -0.263 4.057 4.320 -0.000 0.000 0.206 1102 K C 2.086 178.734 176.600 0.080 0.000 1.048 1102 K CA 1.795 58.122 56.287 0.066 0.000 0.933 1102 K CB -0.096 32.444 32.500 0.067 0.000 0.721 1102 K HN 0.565 nan 8.250 nan 0.000 0.447 1103 E N 0.546 120.792 120.200 0.075 0.000 2.017 1103 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 1103 E C 1.995 178.671 176.600 0.127 0.000 0.997 1103 E CA 1.556 58.004 56.400 0.080 0.000 0.804 1103 E CB -0.054 29.683 29.700 0.062 0.000 0.757 1103 E HN 0.284 nan 8.360 nan 0.000 0.448 1104 I N 0.946 121.614 120.570 0.164 0.000 2.091 1104 I HA -0.343 3.827 4.170 -0.000 0.000 0.239 1104 I C 2.475 178.724 176.117 0.219 0.000 1.061 1104 I CA 1.219 62.681 61.300 0.270 0.000 1.317 1104 I CB -0.481 37.636 38.000 0.195 0.000 1.031 1104 I HN 0.214 nan 8.210 nan 0.000 0.401 1105 L N 0.570 121.865 121.223 0.120 0.000 2.187 1105 L HA -0.213 4.126 4.340 -0.000 0.000 0.213 1105 L C 1.979 178.928 176.870 0.132 0.000 1.100 1105 L CA 1.106 56.001 54.840 0.091 0.000 0.765 1105 L CB -0.729 41.355 42.059 0.043 0.000 0.904 1105 L HN 0.384 nan 8.230 nan 0.000 0.437 1106 N N -0.453 118.332 118.700 0.143 0.000 2.422 1106 N HA 0.001 4.741 4.740 -0.000 0.000 0.181 1106 N C 0.712 176.318 175.510 0.161 0.000 1.080 1106 N CA 0.348 53.487 53.050 0.149 0.000 0.893 1106 N CB 0.550 39.115 38.487 0.129 0.000 0.973 1106 N HN 0.002 nan 8.380 nan 0.000 0.456 1107 V N 0.567 120.605 119.914 0.207 0.000 5.479 1107 V HA -0.284 3.835 4.120 -0.000 0.000 0.289 1107 V C 0.693 176.835 176.094 0.080 0.000 0.595 1107 V CA 0.490 62.923 62.300 0.223 0.000 0.649 1107 V CB -2.801 29.170 31.823 0.246 0.000 0.390 1107 V HN 0.389 nan 8.190 nan 0.000 0.974 1108 A N -0.014 122.836 122.820 0.050 0.000 2.386 1108 A HA 0.576 4.896 4.320 -0.000 0.000 0.248 1108 A C 0.945 178.500 177.584 -0.048 0.000 1.082 1108 A CA 0.736 52.782 52.037 0.013 0.000 0.789 1108 A CB 0.730 19.744 19.000 0.023 0.000 1.025 1108 A HN 0.540 nan 8.150 nan 0.000 0.490 1109 K N 1.570 121.945 120.400 -0.042 0.000 2.027 1109 K HA -0.036 4.283 4.320 -0.000 0.000 0.215 1109 K C 0.543 177.099 176.600 -0.074 0.000 1.027 1109 K CA 1.227 57.473 56.287 -0.069 0.000 0.967 1109 K CB -0.372 32.100 32.500 -0.046 0.000 0.867 1109 K HN 0.863 nan 8.250 nan 0.000 0.449 1110 N N 2.626 121.297 118.700 -0.049 0.000 2.417 1110 N HA -0.039 4.701 4.740 -0.000 0.000 0.272 1110 N C -0.560 174.926 175.510 -0.040 0.000 1.304 1110 N CA 0.545 53.568 53.050 -0.044 0.000 0.906 1110 N CB -0.085 38.385 38.487 -0.030 0.000 1.135 1110 N HN 0.286 nan 8.380 nan 0.000 0.483 1111 M N 0.877 120.448 119.600 -0.049 0.000 2.404 1111 M HA 0.291 4.771 4.480 -0.000 0.000 0.338 1111 M C 1.116 177.401 176.300 -0.025 0.000 1.150 1111 M CA -0.944 54.334 55.300 -0.036 0.000 1.016 1111 M CB 2.232 34.801 32.600 -0.051 0.000 1.672 1111 M HN 0.227 nan 8.290 nan 0.000 0.448 1112 K N 0.404 120.797 120.400 -0.012 0.000 2.052 1112 K HA -0.093 4.227 4.320 -0.000 0.000 0.215 1112 K C 0.200 176.793 176.600 -0.011 0.000 1.053 1112 K CA 1.490 57.772 56.287 -0.009 0.000 0.934 1112 K CB -0.449 32.050 32.500 -0.001 0.000 0.717 1112 K HN 0.685 nan 8.250 nan 0.000 0.450 1113 T N 3.033 117.582 114.554 -0.009 0.000 2.853 1113 T HA 0.186 4.535 4.350 -0.000 0.000 0.317 1113 T C -2.369 172.320 174.700 -0.019 0.000 1.059 1113 T CA -1.242 60.854 62.100 -0.008 0.000 0.954 1113 T CB 1.682 70.553 68.868 0.004 0.000 0.994 1113 T HN 0.099 nan 8.240 nan 0.000 0.479 1114 P HA 0.266 nan 4.420 nan 0.000 0.239 1114 P C 0.331 177.606 177.300 -0.043 0.000 1.880 1114 P CA -0.272 62.801 63.100 -0.044 0.000 1.088 1114 P CB 0.328 31.996 31.700 -0.054 0.000 1.721 1115 S N 1.694 117.378 115.700 -0.027 0.000 2.658 1115 S HA 0.326 4.796 4.470 -0.000 0.000 0.249 1115 S C 0.027 174.599 174.600 -0.046 0.000 1.363 1115 S CA 0.261 58.448 58.200 -0.020 0.000 0.964 1115 S CB -0.122 63.083 63.200 0.007 0.000 0.973 1115 S HN 0.325 nan 8.310 nan 0.000 0.588 1116 L N -0.144 121.059 121.223 -0.033 0.000 2.666 1116 L HA 0.529 4.869 4.340 -0.000 0.000 0.259 1116 L C -0.950 175.909 176.870 -0.018 0.000 0.919 1116 L CA -0.328 54.480 54.840 -0.053 0.000 0.927 1116 L CB 1.250 43.274 42.059 -0.058 0.000 1.423 1116 L HN 0.511 nan 8.230 nan 0.000 0.426 1117 T N 3.644 118.202 114.554 0.006 0.000 2.767 1117 T HA 0.693 5.043 4.350 -0.000 0.000 0.288 1117 T C -0.186 174.435 174.700 -0.133 0.000 0.963 1117 T CA -0.211 61.857 62.100 -0.054 0.000 1.019 1117 T CB 1.248 70.117 68.868 0.002 0.000 0.923 1117 T HN 0.851 nan 8.240 nan 0.000 0.468 1118 V N 1.999 121.787 119.914 -0.209 0.000 2.384 1118 V HA 0.603 4.723 4.120 -0.000 0.000 0.287 1118 V C -1.200 174.741 176.094 -0.256 0.000 1.020 1118 V CA -1.195 61.024 62.300 -0.136 0.000 0.850 1118 V CB 0.174 31.977 31.823 -0.033 0.000 0.987 1118 V HN 0.744 nan 8.190 nan 0.000 0.436 1119 Y N 4.068 124.414 120.300 0.077 0.000 2.342 1119 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 1119 Y C 0.328 176.268 175.900 0.066 0.000 1.067 1119 Y CA -0.820 57.320 58.100 0.066 0.000 1.128 1119 Y CB 1.522 40.030 38.460 0.079 0.000 1.200 1119 Y HN 0.523 nan 8.280 nan 0.000 0.464 1120 L N 1.524 122.871 121.223 0.206 0.000 2.468 1120 L HA 0.042 4.382 4.340 -0.000 0.000 0.253 1120 L C 0.685 177.628 176.870 0.123 0.000 1.237 1120 L CA -0.066 54.874 54.840 0.167 0.000 0.823 1120 L CB 0.088 42.261 42.059 0.190 0.000 1.124 1120 L HN 0.594 nan 8.230 nan 0.000 0.504 1121 E N 1.150 121.402 120.200 0.087 0.000 2.437 1121 E HA -0.053 4.297 4.350 -0.000 0.000 0.263 1121 E C -1.555 174.936 176.600 -0.182 0.000 1.030 1121 E CA -1.002 55.364 56.400 -0.057 0.000 0.934 1121 E CB 0.605 30.240 29.700 -0.108 0.000 0.943 1121 E HN 0.353 nan 8.360 nan 0.000 0.444 1122 P HA -0.295 nan 4.420 nan 0.000 0.221 1122 P C 0.912 178.116 177.300 -0.159 0.000 1.160 1122 P CA 2.026 65.060 63.100 -0.110 0.000 0.933 1122 P CB 0.005 31.654 31.700 -0.087 0.000 0.793 1123 G N -0.035 108.582 108.800 -0.305 0.000 2.770 1123 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.212 1123 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.212 1123 G C 0.058 174.857 174.900 -0.169 0.000 1.357 1123 G CA 0.397 45.344 45.100 -0.255 0.000 0.837 1123 G HN 0.366 nan 8.290 nan 0.000 0.610 1124 H N 1.647 120.748 119.070 0.052 0.000 3.645 1124 H HA 0.215 4.771 4.556 -0.000 0.000 0.200 1124 H C 1.068 176.457 175.328 0.101 0.000 0.886 1124 H CA 0.307 56.393 56.048 0.063 0.000 1.359 1124 H CB -0.884 28.905 29.762 0.046 0.000 1.576 1124 H HN 0.355 nan 8.280 nan 0.000 0.597 1125 A N 3.261 126.185 122.820 0.173 0.000 2.179 1125 A HA 0.385 4.704 4.320 -0.000 0.000 0.224 1125 A C 2.155 179.914 177.584 0.293 0.000 1.759 1125 A CA 0.493 52.639 52.037 0.182 0.000 0.688 1125 A CB -0.671 18.399 19.000 0.116 0.000 1.342 1125 A HN 0.591 nan 8.150 nan 0.000 0.543 1126 A N -0.193 122.786 122.820 0.265 0.000 2.239 1126 A HA 0.069 4.389 4.320 -0.000 0.000 0.209 1126 A C 0.881 178.673 177.584 0.347 0.000 1.171 1126 A CA 0.769 53.040 52.037 0.390 0.000 0.768 1126 A CB -0.620 18.523 19.000 0.237 0.000 0.790 1126 A HN 0.418 nan 8.150 nan 0.000 0.478 1127 D N 0.660 121.194 120.400 0.225 0.000 2.750 1127 D HA -0.047 4.592 4.640 -0.000 0.000 0.225 1127 D C 1.488 177.720 176.300 -0.114 0.000 1.067 1127 D CA 0.252 54.299 54.000 0.078 0.000 1.223 1127 D CB -0.127 40.748 40.800 0.125 0.000 1.143 1127 D HN 0.500 nan 8.370 nan 0.000 0.460 1128 Q N 1.395 121.013 119.800 -0.305 0.000 2.066 1128 Q HA -0.299 4.041 4.340 -0.000 0.000 0.216 1128 Q C 1.628 177.280 176.000 -0.580 0.000 1.035 1128 Q CA 2.222 57.511 55.803 -0.856 0.000 0.897 1128 Q CB -0.351 28.031 28.738 -0.593 0.000 1.010 1128 Q HN 0.438 nan 8.270 nan 0.000 0.416 1129 E N -0.543 119.459 120.200 -0.330 0.000 2.049 1129 E HA -0.300 4.050 4.350 -0.000 0.000 0.198 1129 E C 1.965 178.444 176.600 -0.202 0.000 1.007 1129 E CA 1.869 58.125 56.400 -0.240 0.000 0.809 1129 E CB -0.281 29.322 29.700 -0.161 0.000 0.749 1129 E HN 0.590 nan 8.360 nan 0.000 0.450 1130 Q N 0.519 120.219 119.800 -0.165 0.000 2.268 1130 Q HA -0.190 4.150 4.340 -0.000 0.000 0.210 1130 Q C 1.728 177.673 176.000 -0.092 0.000 0.988 1130 Q CA 2.054 57.779 55.803 -0.130 0.000 0.883 1130 Q CB -0.403 28.269 28.738 -0.110 0.000 0.911 1130 Q HN 0.298 nan 8.270 nan 0.000 0.430 1131 A N 0.642 123.385 122.820 -0.128 0.000 1.845 1131 A HA -0.243 4.077 4.320 -0.000 0.000 0.215 1131 A C 1.949 179.469 177.584 -0.106 0.000 1.195 1131 A CA 1.856 53.839 52.037 -0.090 0.000 0.616 1131 A CB -0.572 18.331 19.000 -0.162 0.000 0.832 1131 A HN 0.478 nan 8.150 nan 0.000 0.443 1132 K N -0.104 120.192 120.400 -0.174 0.000 2.015 1132 K HA -0.190 4.130 4.320 -0.000 0.000 0.216 1132 K C 1.873 178.411 176.600 -0.103 0.000 1.052 1132 K CA 1.780 57.976 56.287 -0.152 0.000 0.937 1132 K CB -0.719 31.674 32.500 -0.179 0.000 0.719 1132 K HN 0.466 nan 8.250 nan 0.000 0.446 1133 L N 0.890 122.054 121.223 -0.099 0.000 2.064 1133 L HA -0.275 4.065 4.340 -0.000 0.000 0.216 1133 L C 2.451 179.293 176.870 -0.047 0.000 1.077 1133 L CA 1.531 56.327 54.840 -0.073 0.000 0.766 1133 L CB -0.807 41.204 42.059 -0.080 0.000 0.890 1133 L HN 0.271 nan 8.230 nan 0.000 0.435 1134 I N -1.592 118.957 120.570 -0.035 0.000 2.277 1134 I HA -0.189 3.980 4.170 -0.000 0.000 0.243 1134 I C 2.803 178.915 176.117 -0.009 0.000 1.094 1134 I CA 0.615 61.910 61.300 -0.009 0.000 1.393 1134 I CB -0.608 37.400 38.000 0.013 0.000 1.078 1134 I HN 0.237 nan 8.210 nan 0.000 0.417 1135 R N 1.957 122.445 120.500 -0.020 0.000 2.112 1135 R HA -0.245 4.095 4.340 -0.000 0.000 0.242 1135 R C 2.436 178.732 176.300 -0.006 0.000 1.137 1135 R CA 2.653 58.746 56.100 -0.011 0.000 0.944 1135 R CB -0.517 29.761 30.300 -0.038 0.000 0.857 1135 R HN 0.524 nan 8.270 nan 0.000 0.435 1136 S N -0.584 115.098 115.700 -0.029 0.000 2.453 1136 S HA 0.025 4.495 4.470 -0.000 0.000 0.231 1136 S C 1.922 176.515 174.600 -0.011 0.000 1.005 1136 S CA 0.796 58.981 58.200 -0.024 0.000 0.949 1136 S CB 0.068 63.241 63.200 -0.044 0.000 0.774 1136 S HN 0.456 nan 8.310 nan 0.000 0.510 1137 A N 0.712 123.527 122.820 -0.008 0.000 2.169 1137 A HA 0.452 4.772 4.320 -0.000 0.000 0.212 1137 A C 1.892 179.484 177.584 0.015 0.000 1.153 1137 A CA 0.401 52.438 52.037 0.000 0.000 0.756 1137 A CB -0.387 18.613 19.000 -0.001 0.000 0.813 1137 A HN 0.620 nan 8.150 nan 0.000 0.471 1138 I N -1.478 119.105 120.570 0.021 0.000 3.194 1138 I HA 0.068 4.237 4.170 -0.000 0.000 0.271 1138 I C 0.936 177.085 176.117 0.054 0.000 1.150 1138 I CA -0.050 61.270 61.300 0.034 0.000 1.440 1138 I CB -0.020 37.998 38.000 0.029 0.000 1.276 1138 I HN 0.250 nan 8.210 nan 0.000 0.457 1139 E N 2.547 122.780 120.200 0.055 0.000 2.406 1139 E HA -0.139 4.211 4.350 -0.000 0.000 0.258 1139 E C -0.146 176.509 176.600 0.091 0.000 1.043 1139 E CA 0.009 56.458 56.400 0.080 0.000 0.929 1139 E CB 0.208 29.960 29.700 0.087 0.000 0.969 1139 E HN 0.167 nan 8.360 nan 0.000 0.462 1140 H N 3.294 122.369 119.070 0.009 0.000 3.026 1140 H HA 0.106 4.662 4.556 -0.000 0.000 0.289 1140 H C -1.071 174.259 175.328 0.003 0.000 1.022 1140 H CA 0.421 56.470 56.048 0.002 0.000 1.477 1140 H CB 0.531 30.292 29.762 -0.003 0.000 1.510 1140 H HN 0.262 nan 8.280 nan 0.000 0.535 1141 T N 5.148 119.477 114.554 -0.376 0.000 2.824 1141 T HA 0.363 4.713 4.350 -0.000 0.000 0.282 1141 T C -0.505 173.957 174.700 -0.397 0.000 0.993 1141 T CA -0.737 61.186 62.100 -0.295 0.000 0.967 1141 T CB 1.180 69.968 68.868 -0.134 0.000 0.960 1141 T HN 0.747 nan 8.240 nan 0.000 0.441 1142 T N 0.772 115.160 114.554 -0.277 0.000 2.912 1142 T HA 0.474 4.823 4.350 -0.000 0.000 0.288 1142 T C 1.212 175.853 174.700 -0.098 0.000 1.030 1142 T CA -0.935 61.052 62.100 -0.189 0.000 1.020 1142 T CB 1.306 70.105 68.868 -0.115 0.000 1.056 1142 T HN 0.244 nan 8.240 nan 0.000 0.480 1143 L N 1.438 122.619 121.223 -0.071 0.000 2.021 1143 L HA -0.087 4.252 4.340 -0.000 0.000 0.215 1143 L C 2.525 179.376 176.870 -0.032 0.000 1.074 1143 L CA 2.065 56.877 54.840 -0.046 0.000 0.760 1143 L CB -0.969 41.078 42.059 -0.020 0.000 0.889 1143 L HN 0.940 nan 8.230 nan 0.000 0.433 1144 K N -0.720 119.667 120.400 -0.022 0.000 2.074 1144 K HA -0.206 4.113 4.320 -0.000 0.000 0.209 1144 K C 2.081 178.672 176.600 -0.015 0.000 1.048 1144 K CA 1.786 58.067 56.287 -0.011 0.000 0.926 1144 K CB -0.244 32.255 32.500 -0.001 0.000 0.713 1144 K HN 0.659 nan 8.250 nan 0.000 0.444 1145 S N -0.136 115.549 115.700 -0.025 0.000 2.442 1145 S HA -0.094 4.376 4.470 -0.000 0.000 0.236 1145 S C 1.699 176.287 174.600 -0.020 0.000 1.007 1145 S CA 1.129 59.316 58.200 -0.022 0.000 0.965 1145 S CB -0.223 62.958 63.200 -0.031 0.000 0.773 1145 S HN 0.266 nan 8.310 nan 0.000 0.504 1146 V N -2.397 117.501 119.914 -0.026 0.000 3.528 1146 V HA 0.315 4.435 4.120 -0.000 0.000 0.294 1146 V C 0.418 176.502 176.094 -0.017 0.000 1.404 1146 V CA -0.152 62.134 62.300 -0.023 0.000 1.065 1146 V CB -0.612 31.190 31.823 -0.035 0.000 0.904 1146 V HN 0.266 nan 8.190 nan 0.000 0.435 1147 T N 2.554 117.100 114.554 -0.013 0.000 2.739 1147 T HA 0.499 4.849 4.350 -0.000 0.000 0.298 1147 T C 1.318 176.018 174.700 0.001 0.000 0.929 1147 T CA 0.036 62.133 62.100 -0.005 0.000 1.014 1147 T CB 0.919 69.786 68.868 -0.003 0.000 0.914 1147 T HN 0.276 nan 8.240 nan 0.000 0.509 1148 I N 1.795 122.368 120.570 0.004 0.000 2.394 1148 I HA 0.109 4.279 4.170 -0.000 0.000 0.251 1148 I C 1.337 177.461 176.117 0.010 0.000 1.136 1148 I CA 0.475 61.779 61.300 0.008 0.000 1.425 1148 I CB -0.113 37.893 38.000 0.011 0.000 1.079 1148 I HN 0.617 nan 8.210 nan 0.000 0.425 1149 A N -0.139 122.689 122.820 0.014 0.000 2.549 1149 A HA 0.600 4.920 4.320 -0.000 0.000 0.291 1149 A C -0.823 176.774 177.584 0.023 0.000 1.034 1149 A CA -0.358 51.688 52.037 0.016 0.000 0.655 1149 A CB 0.802 19.813 19.000 0.019 0.000 1.299 1149 A HN 0.092 nan 8.150 nan 0.000 0.427 1150 S N -0.037 115.674 115.700 0.019 0.000 2.570 1150 S HA 0.921 5.391 4.470 -0.000 0.000 0.286 1150 S C -0.872 173.741 174.600 0.023 0.000 1.099 1150 S CA -0.606 57.610 58.200 0.027 0.000 0.913 1150 S CB 1.990 65.200 63.200 0.015 0.000 1.085 1150 S HN 0.777 nan 8.310 nan 0.000 0.480 1151 E N 0.374 120.605 120.200 0.051 0.000 2.390 1151 E HA 0.502 4.852 4.350 -0.000 0.000 0.277 1151 E C -1.456 175.175 176.600 0.051 0.000 0.939 1151 E CA -0.667 55.736 56.400 0.004 0.000 0.769 1151 E CB 2.278 31.972 29.700 -0.010 0.000 1.251 1151 E HN 0.606 nan 8.360 nan 0.000 0.450 1152 I N 2.936 123.475 120.570 -0.051 0.000 2.411 1152 I HA 0.339 4.508 4.170 -0.000 0.000 0.284 1152 I C -1.153 175.009 176.117 0.075 0.000 1.012 1152 I CA -0.554 60.786 61.300 0.067 0.000 1.119 1152 I CB 0.412 38.415 38.000 0.005 0.000 1.261 1152 I HN 0.423 nan 8.210 nan 0.000 0.448 1153 Y N 4.627 125.048 120.300 0.203 0.000 2.596 1153 Y HA 0.364 4.914 4.550 -0.000 0.000 0.326 1153 Y C -0.485 175.633 175.900 0.364 0.000 1.167 1153 Y CA -0.790 57.453 58.100 0.240 0.000 1.246 1153 Y CB 1.061 39.596 38.460 0.124 0.000 1.347 1153 Y HN 0.357 nan 8.280 nan 0.000 0.515 1154 Y N 1.541 122.038 120.300 0.328 0.000 2.402 1154 Y HA 0.399 4.949 4.550 -0.000 0.000 0.332 1154 Y C -1.233 174.639 175.900 -0.047 0.000 0.960 1154 Y CA -0.937 57.129 58.100 -0.057 0.000 1.228 1154 Y CB 0.757 39.089 38.460 -0.215 0.000 1.120 1154 Y HN 0.613 nan 8.280 nan 0.000 0.491 1155 D N 8.457 128.601 120.400 -0.427 0.000 2.364 1155 D HA 0.300 4.940 4.640 -0.000 0.000 0.251 1155 D C -2.237 173.804 176.300 -0.431 0.000 1.282 1155 D CA -1.889 51.943 54.000 -0.280 0.000 0.927 1155 D CB 1.506 42.220 40.800 -0.143 0.000 1.267 1155 D HN 0.274 nan 8.370 nan 0.000 0.531 1156 P HA 0.014 nan 4.420 nan 0.000 0.233 1156 P C -0.081 177.105 177.300 -0.190 0.000 1.167 1156 P CA 0.293 63.133 63.100 -0.433 0.000 0.770 1156 P CB 0.308 31.765 31.700 -0.406 0.000 0.837 1157 D N 1.927 122.251 120.400 -0.127 0.000 2.467 1157 D HA 0.127 4.766 4.640 -0.000 0.000 0.220 1157 D C -1.769 174.517 176.300 -0.025 0.000 1.103 1157 D CA -2.774 51.193 54.000 -0.056 0.000 0.886 1157 D CB 0.511 41.289 40.800 -0.037 0.000 1.025 1157 D HN 0.051 nan 8.370 nan 0.000 0.514 1158 P HA 0.007 nan 4.420 nan 0.000 0.286 1158 P C -0.312 177.092 177.300 0.173 0.000 1.577 1158 P CA 0.154 63.305 63.100 0.086 0.000 0.805 1158 P CB 0.034 31.799 31.700 0.108 0.000 1.706 1159 R N -0.939 119.616 120.500 0.092 0.000 2.504 1159 R HA 0.223 4.563 4.340 -0.000 0.000 0.396 1159 R C -0.017 176.235 176.300 -0.080 0.000 0.896 1159 R CA -0.045 56.101 56.100 0.077 0.000 1.152 1159 R CB 0.171 30.562 30.300 0.152 0.000 1.681 1159 R HN 0.319 nan 8.270 nan 0.000 0.537 1160 S N -0.664 114.992 115.700 -0.072 0.000 2.675 1160 S HA 0.281 4.751 4.470 -0.000 0.000 0.297 1160 S C -0.972 173.575 174.600 -0.088 0.000 1.035 1160 S CA -0.676 57.467 58.200 -0.096 0.000 0.852 1160 S CB 1.790 64.943 63.200 -0.078 0.000 1.051 1160 S HN -0.018 nan 8.310 nan 0.000 0.451 1161 T N 2.235 116.727 114.554 -0.103 0.000 2.855 1161 T HA 0.458 4.808 4.350 -0.000 0.000 0.281 1161 T C 1.294 175.933 174.700 -0.102 0.000 1.007 1161 T CA -0.690 61.340 62.100 -0.117 0.000 1.009 1161 T CB 1.590 70.365 68.868 -0.155 0.000 0.983 1161 T HN 0.757 nan 8.240 nan 0.000 0.455 1162 V N 2.253 122.111 119.914 -0.093 0.000 3.284 1162 V HA -0.021 4.098 4.120 -0.000 0.000 0.273 1162 V C 0.774 176.824 176.094 -0.074 0.000 1.178 1162 V CA 1.228 63.496 62.300 -0.052 0.000 1.177 1162 V CB -1.155 30.668 31.823 -0.000 0.000 0.793 1162 V HN 0.691 nan 8.190 nan 0.000 0.536 1163 I N 2.154 122.643 120.570 -0.135 0.000 2.336 1163 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 1163 I C -0.941 175.117 176.117 -0.098 0.000 0.991 1163 I CA -1.862 59.354 61.300 -0.141 0.000 1.227 1163 I CB 1.949 39.799 38.000 -0.250 0.000 1.366 1163 I HN -0.009 nan 8.210 nan 0.000 0.466 1164 P HA -0.091 nan 4.420 nan 0.000 0.216 1164 P C 0.904 178.173 177.300 -0.052 0.000 1.156 1164 P CA 1.273 64.342 63.100 -0.051 0.000 0.855 1164 P CB 0.343 32.024 31.700 -0.032 0.000 0.786 1165 E N 0.824 120.995 120.200 -0.047 0.000 2.048 1165 E HA -0.216 4.134 4.350 -0.000 0.000 0.202 1165 E C 1.458 178.027 176.600 -0.051 0.000 1.021 1165 E CA 1.643 58.019 56.400 -0.039 0.000 0.825 1165 E CB -0.965 28.717 29.700 -0.030 0.000 0.756 1165 E HN 0.255 nan 8.360 nan 0.000 0.454 1166 D N 0.588 120.944 120.400 -0.073 0.000 2.403 1166 D HA -0.094 4.546 4.640 -0.000 0.000 0.227 1166 D C 1.455 177.702 176.300 -0.088 0.000 0.995 1166 D CA 0.377 54.327 54.000 -0.084 0.000 0.928 1166 D CB -0.042 40.687 40.800 -0.118 0.000 0.887 1166 D HN 0.147 nan 8.370 nan 0.000 0.529 1167 E N 0.650 120.802 120.200 -0.081 0.000 2.007 1167 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 1167 E C 1.823 178.367 176.600 -0.093 0.000 1.020 1167 E CA 0.941 57.288 56.400 -0.088 0.000 0.845 1167 E CB -0.438 29.220 29.700 -0.071 0.000 0.779 1167 E HN 0.436 nan 8.360 nan 0.000 0.466 1168 E N 0.407 120.565 120.200 -0.071 0.000 2.393 1168 E HA -0.165 4.184 4.350 -0.000 0.000 0.201 1168 E C 1.994 178.555 176.600 -0.064 0.000 1.025 1168 E CA 0.520 56.881 56.400 -0.065 0.000 0.856 1168 E CB -0.172 29.502 29.700 -0.043 0.000 0.771 1168 E HN 0.257 nan 8.360 nan 0.000 0.526 1169 I N -0.221 120.308 120.570 -0.067 0.000 2.333 1169 I HA -0.200 3.970 4.170 -0.000 0.000 0.246 1169 I C 1.667 177.745 176.117 -0.065 0.000 1.106 1169 I CA 0.474 61.740 61.300 -0.057 0.000 1.411 1169 I CB -0.103 37.862 38.000 -0.058 0.000 1.082 1169 I HN 0.155 nan 8.210 nan 0.000 0.420 1170 I N 1.042 121.541 120.570 -0.119 0.000 2.233 1170 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 1170 I C 2.655 178.609 176.117 -0.271 0.000 1.093 1170 I CA 1.248 62.454 61.300 -0.157 0.000 1.380 1170 I CB -1.031 36.822 38.000 -0.244 0.000 1.067 1170 I HN 0.257 nan 8.210 nan 0.000 0.413 1171 Q N 1.498 121.099 119.800 -0.332 0.000 1.998 1171 Q HA -0.243 4.097 4.340 -0.000 0.000 0.209 1171 Q C 2.222 178.166 176.000 -0.093 0.000 1.002 1171 Q CA 2.097 57.703 55.803 -0.328 0.000 0.858 1171 Q CB -1.207 27.413 28.738 -0.196 0.000 0.932 1171 Q HN 0.461 nan 8.270 nan 0.000 0.416 1172 L N -0.008 121.194 121.223 -0.036 0.000 2.021 1172 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 1172 L C 2.293 179.202 176.870 0.065 0.000 1.074 1172 L CA 1.319 56.163 54.840 0.007 0.000 0.760 1172 L CB -0.930 41.120 42.059 -0.015 0.000 0.889 1172 L HN 0.477 nan 8.230 nan 0.000 0.433 1173 H N -0.276 118.822 119.070 0.047 0.000 3.262 1173 H HA 0.096 4.651 4.556 -0.000 0.000 0.270 1173 H C -1.005 174.550 175.328 0.379 0.000 1.431 1173 H CA 0.160 56.274 56.048 0.110 0.000 1.237 1173 H CB -0.399 29.376 29.762 0.022 0.000 1.443 1173 H HN 0.007 nan 8.280 nan 0.000 0.609 1174 F N 0.082 120.052 119.950 0.032 0.000 2.810 1174 F HA 0.204 4.730 4.527 -0.000 0.000 0.373 1174 F C -0.056 175.732 175.800 -0.020 0.000 1.174 1174 F CA -0.801 57.215 58.000 0.028 0.000 1.141 1174 F CB 1.351 40.366 39.000 0.025 0.000 1.420 1174 F HN -0.079 nan 8.300 nan 0.000 0.518 1175 S N 3.920 119.631 115.700 0.017 0.000 2.646 1175 S HA 0.150 4.620 4.470 -0.000 0.000 0.217 1175 S C -0.403 174.158 174.600 -0.064 0.000 0.836 1175 S CA -0.440 57.747 58.200 -0.023 0.000 1.094 1175 S CB 0.191 63.370 63.200 -0.034 0.000 1.557 1175 S HN 0.521 nan 8.310 nan 0.000 0.449 1188 Q N 1.428 121.239 119.800 0.018 0.000 2.207 1188 Q HA 0.645 4.984 4.340 -0.000 0.000 0.237 1188 Q C -0.791 175.233 176.000 0.039 0.000 0.998 1188 Q CA -0.437 55.393 55.803 0.046 0.000 0.951 1188 Q CB 1.796 30.581 28.738 0.079 0.000 1.213 1188 Q HN 0.202 nan 8.270 nan 0.000 0.499 1189 S N 0.557 116.292 115.700 0.057 0.000 2.541 1189 S HA 0.277 4.746 4.470 -0.000 0.000 0.283 1189 S C -1.862 172.713 174.600 -0.042 0.000 1.196 1189 S CA -1.825 56.411 58.200 0.060 0.000 1.062 1189 S CB 0.685 63.980 63.200 0.158 0.000 1.009 1189 S HN 0.428 nan 8.310 nan 0.000 0.502 1190 P HA 0.050 nan 4.420 nan 0.000 0.241 1190 P C -0.450 176.451 177.300 -0.665 0.000 1.191 1190 P CA 0.265 63.047 63.100 -0.529 0.000 0.771 1190 P CB -0.008 31.250 31.700 -0.737 0.000 0.929 1191 W N 0.952 122.159 121.300 -0.154 0.000 2.335 1191 W HA 0.410 5.070 4.660 -0.000 0.000 0.306 1191 W C 0.184 176.680 176.519 -0.037 0.000 1.216 1191 W CA -0.947 56.356 57.345 -0.069 0.000 1.237 1191 W CB 0.672 30.140 29.460 0.013 0.000 1.243 1191 W HN -0.150 nan 8.180 nan 0.000 0.493 1192 L N 5.835 127.226 121.223 0.280 0.000 2.317 1192 L HA 0.584 4.923 4.340 -0.000 0.000 0.281 1192 L C -1.082 175.912 176.870 0.207 0.000 1.024 1192 L CA -0.911 54.035 54.840 0.177 0.000 0.810 1192 L CB 0.968 43.094 42.059 0.112 0.000 1.240 1192 L HN 0.319 nan 8.230 nan 0.000 0.427 1193 L N 5.735 127.026 121.223 0.113 0.000 2.319 1193 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 1193 L C -0.914 175.998 176.870 0.070 0.000 1.005 1193 L CA -0.287 54.605 54.840 0.087 0.000 0.828 1193 L CB 1.067 43.136 42.059 0.018 0.000 1.227 1193 L HN 0.786 nan 8.230 nan 0.000 0.415 1194 R N 5.686 126.259 120.500 0.121 0.000 2.476 1194 R HA 0.732 5.072 4.340 -0.000 0.000 0.305 1194 R C -1.820 174.531 176.300 0.084 0.000 0.965 1194 R CA -0.608 55.548 56.100 0.093 0.000 0.867 1194 R CB 1.067 31.437 30.300 0.117 0.000 1.176 1194 R HN 0.766 nan 8.270 nan 0.000 0.447 1195 L N 3.015 124.266 121.223 0.046 0.000 2.322 1195 L HA 0.504 4.843 4.340 -0.000 0.000 0.281 1195 L C -0.160 176.729 176.870 0.032 0.000 1.014 1195 L CA -0.704 54.157 54.840 0.035 0.000 0.815 1195 L CB 1.870 43.938 42.059 0.016 0.000 1.247 1195 L HN 0.614 nan 8.230 nan 0.000 0.421 1196 E N 4.130 124.349 120.200 0.032 0.000 2.092 1196 E HA 0.431 4.781 4.350 -0.000 0.000 0.271 1196 E C -0.974 175.635 176.600 0.015 0.000 0.919 1196 E CA -0.584 55.832 56.400 0.027 0.000 0.760 1196 E CB 1.059 30.779 29.700 0.034 0.000 1.106 1196 E HN 0.518 nan 8.360 nan 0.000 0.408 1197 L N 2.504 123.732 121.223 0.008 0.000 2.456 1197 L HA 0.297 4.637 4.340 -0.000 0.000 0.257 1197 L C 0.685 177.556 176.870 0.002 0.000 1.162 1197 L CA -0.517 54.322 54.840 -0.002 0.000 0.808 1197 L CB 0.398 42.448 42.059 -0.015 0.000 1.136 1197 L HN 0.532 nan 8.230 nan 0.000 0.466 1198 D N 0.197 120.595 120.400 -0.002 0.000 2.177 1198 D HA 0.166 4.806 4.640 -0.000 0.000 0.247 1198 D C 0.723 177.023 176.300 -0.000 0.000 1.063 1198 D CA -0.305 53.695 54.000 0.001 0.000 0.867 1198 D CB 1.674 42.474 40.800 0.000 0.000 1.168 1198 D HN 0.402 nan 8.370 nan 0.000 0.445 1199 R N 2.195 122.697 120.500 0.003 0.000 2.092 1199 R HA -0.126 4.213 4.340 -0.000 0.000 0.226 1199 R C 2.051 178.352 176.300 0.002 0.000 1.140 1199 R CA 1.668 57.770 56.100 0.003 0.000 0.910 1199 R CB -0.465 29.838 30.300 0.005 0.000 0.822 1199 R HN 0.579 nan 8.270 nan 0.000 0.433 1200 A N 1.037 123.859 122.820 0.003 0.000 1.903 1200 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 1200 A C 2.344 179.931 177.584 0.005 0.000 1.191 1200 A CA 2.234 54.275 52.037 0.005 0.000 0.638 1200 A CB -0.916 18.088 19.000 0.007 0.000 0.823 1200 A HN 0.548 nan 8.150 nan 0.000 0.451 1201 A N -1.184 121.637 122.820 0.003 0.000 1.877 1201 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 1201 A C 1.972 179.554 177.584 -0.004 0.000 1.186 1201 A CA 1.853 53.891 52.037 0.002 0.000 0.620 1201 A CB -0.460 18.538 19.000 -0.003 0.000 0.822 1201 A HN 0.433 nan 8.150 nan 0.000 0.443 1202 M N 0.492 120.087 119.600 -0.009 0.000 2.776 1202 M HA -0.017 4.463 4.480 -0.000 0.000 0.233 1202 M C 0.712 177.005 176.300 -0.013 0.000 1.078 1202 M CA 0.610 55.900 55.300 -0.016 0.000 1.058 1202 M CB -1.202 31.388 32.600 -0.017 0.000 1.611 1202 M HN 0.472 nan 8.290 nan 0.000 0.541 1203 N N -0.251 118.445 118.700 -0.007 0.000 2.724 1203 N HA -0.076 4.664 4.740 -0.000 0.000 0.226 1203 N C 1.286 176.792 175.510 -0.007 0.000 1.030 1203 N CA 0.357 53.403 53.050 -0.008 0.000 1.038 1203 N CB -0.376 38.108 38.487 -0.004 0.000 1.475 1203 N HN 0.275 nan 8.380 nan 0.000 0.472 1204 D N 1.599 122.005 120.400 0.009 0.000 2.191 1204 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 1204 D C -0.074 176.235 176.300 0.014 0.000 1.007 1204 D CA 1.323 55.340 54.000 0.029 0.000 0.865 1204 D CB 0.112 40.957 40.800 0.074 0.000 0.929 1204 D HN 0.200 nan 8.370 nan 0.000 0.447 1205 K N 1.664 122.072 120.400 0.013 0.000 2.457 1205 K HA 0.069 4.389 4.320 -0.000 0.000 0.226 1205 K C -0.459 176.128 176.600 -0.020 0.000 1.114 1205 K CA -0.499 55.787 56.287 -0.001 0.000 1.089 1205 K CB 0.807 33.308 32.500 0.002 0.000 1.739 1205 K HN 0.098 nan 8.250 nan 0.000 0.473 1206 D N 2.958 123.341 120.400 -0.029 0.000 3.061 1206 D HA -0.143 4.497 4.640 -0.000 0.000 0.226 1206 D C -0.676 175.604 176.300 -0.032 0.000 1.168 1206 D CA 1.106 55.088 54.000 -0.031 0.000 0.822 1206 D CB 0.395 41.173 40.800 -0.038 0.000 1.152 1206 D HN 0.345 nan 8.370 nan 0.000 0.555 1207 L N 2.589 123.793 121.223 -0.031 0.000 2.376 1207 L HA 0.359 4.699 4.340 -0.000 0.000 0.258 1207 L C 0.026 176.875 176.870 -0.035 0.000 1.013 1207 L CA -0.855 53.961 54.840 -0.039 0.000 0.822 1207 L CB 2.555 44.584 42.059 -0.050 0.000 1.388 1207 L HN 0.150 nan 8.230 nan 0.000 0.413 1208 T N 1.417 115.944 114.554 -0.045 0.000 2.797 1208 T HA 0.304 4.653 4.350 -0.000 0.000 0.279 1208 T C 1.113 175.762 174.700 -0.086 0.000 0.991 1208 T CA -0.652 61.427 62.100 -0.035 0.000 0.979 1208 T CB 1.693 70.552 68.868 -0.015 0.000 0.943 1208 T HN 0.432 nan 8.240 nan 0.000 0.444 1209 M N 2.014 121.574 119.600 -0.066 0.000 2.108 1209 M HA -0.069 4.411 4.480 -0.000 0.000 0.261 1209 M C 2.560 178.603 176.300 -0.428 0.000 1.066 1209 M CA 1.780 56.970 55.300 -0.182 0.000 1.107 1209 M CB -1.582 31.027 32.600 0.015 0.000 1.356 1209 M HN 0.861 nan 8.290 nan 0.000 0.406 1210 G N -0.002 108.750 108.800 -0.081 0.000 2.514 1210 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 1210 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 1210 G C 1.459 176.240 174.900 -0.199 0.000 1.198 1210 G CA 0.937 46.073 45.100 0.060 0.000 0.780 1210 G HN 0.515 nan 8.290 nan 0.000 0.565 1211 Q N -0.277 119.448 119.800 -0.126 0.000 1.967 1211 Q HA -0.176 4.163 4.340 -0.000 0.000 0.210 1211 Q C 2.865 178.732 176.000 -0.222 0.000 1.005 1211 Q CA 2.107 57.834 55.803 -0.127 0.000 0.862 1211 Q CB -0.681 28.005 28.738 -0.088 0.000 0.939 1211 Q HN 0.335 nan 8.270 nan 0.000 0.417 1212 V N 0.597 120.354 119.914 -0.262 0.000 2.232 1212 V HA -0.365 3.755 4.120 -0.000 0.000 0.251 1212 V C 2.246 178.116 176.094 -0.374 0.000 1.048 1212 V CA 2.301 64.434 62.300 -0.278 0.000 1.029 1212 V CB -1.608 30.048 31.823 -0.279 0.000 0.658 1212 V HN 0.721 nan 8.190 nan 0.000 0.464 1213 G N -0.884 107.493 108.800 -0.706 0.000 2.505 1213 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 1213 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 1213 G C 1.403 175.986 174.900 -0.528 0.000 1.145 1213 G CA 1.012 45.601 45.100 -0.853 0.000 0.761 1213 G HN 0.529 nan 8.290 nan 0.000 0.571 1214 E N 0.170 120.086 120.200 -0.473 0.000 2.147 1214 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 1214 E C 2.498 179.075 176.600 -0.038 0.000 1.005 1214 E CA 1.141 57.482 56.400 -0.098 0.000 0.810 1214 E CB -0.152 29.527 29.700 -0.036 0.000 0.736 1214 E HN 0.402 nan 8.360 nan 0.000 0.460 1215 R N 0.476 120.924 120.500 -0.086 0.000 2.055 1215 R HA 0.086 4.426 4.340 -0.000 0.000 0.226 1215 R C 2.458 178.767 176.300 0.015 0.000 1.135 1215 R CA 0.883 56.962 56.100 -0.034 0.000 0.959 1215 R CB -0.702 29.564 30.300 -0.056 0.000 0.854 1215 R HN 0.125 nan 8.270 nan 0.000 0.431 1216 I N 1.005 121.582 120.570 0.011 0.000 2.185 1216 I HA -0.370 3.800 4.170 -0.000 0.000 0.246 1216 I C 2.194 178.459 176.117 0.246 0.000 1.088 1216 I CA 1.674 63.064 61.300 0.150 0.000 1.347 1216 I CB -0.407 37.640 38.000 0.078 0.000 1.041 1216 I HN 0.173 nan 8.210 nan 0.000 0.415 1217 K N 1.482 121.973 120.400 0.152 0.000 2.009 1217 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 1217 K C 2.145 178.861 176.600 0.193 0.000 1.049 1217 K CA 2.060 58.471 56.287 0.207 0.000 0.929 1217 K CB -0.368 32.270 32.500 0.228 0.000 0.714 1217 K HN 0.571 nan 8.250 nan 0.000 0.440 1218 Q N -1.228 118.648 119.800 0.127 0.000 2.369 1218 Q HA -0.042 4.298 4.340 -0.000 0.000 0.206 1218 Q C 1.399 177.430 176.000 0.052 0.000 0.963 1218 Q CA 1.426 57.281 55.803 0.087 0.000 0.894 1218 Q CB -0.148 28.622 28.738 0.053 0.000 0.965 1218 Q HN 0.148 nan 8.270 nan 0.000 0.475 1219 T N 0.943 115.524 114.554 0.044 0.000 2.668 1219 T HA -0.068 4.282 4.350 -0.000 0.000 0.262 1219 T C 1.129 175.703 174.700 -0.209 0.000 1.045 1219 T CA 1.532 63.549 62.100 -0.138 0.000 1.152 1219 T CB -0.256 68.442 68.868 -0.283 0.000 0.864 1219 T HN 0.323 nan 8.240 nan 0.000 0.419 1220 F N 1.040 121.011 119.950 0.034 0.000 2.270 1220 F HA 0.287 4.814 4.527 -0.000 0.000 0.295 1220 F C 1.417 177.246 175.800 0.047 0.000 1.087 1220 F CA 0.054 58.078 58.000 0.041 0.000 1.365 1220 F CB -0.315 38.713 39.000 0.047 0.000 1.056 1220 F HN 0.101 nan 8.300 nan 0.000 0.506 1221 K N -0.874 119.678 120.400 0.255 0.000 6.926 1221 K HA -0.278 4.042 4.320 -0.000 0.000 0.256 1221 K C -0.393 176.302 176.600 0.159 0.000 1.625 1221 K CA 0.755 57.142 56.287 0.166 0.000 0.860 1221 K CB -1.341 31.225 32.500 0.110 0.000 0.721 1221 K HN -0.025 nan 8.250 nan 0.000 0.467 1222 N N 2.638 121.408 118.700 0.117 0.000 3.254 1222 N HA 0.125 4.865 4.740 -0.000 0.000 0.308 1222 N C -1.368 174.198 175.510 0.093 0.000 1.281 1222 N CA 0.671 53.778 53.050 0.096 0.000 1.212 1222 N CB -0.123 38.402 38.487 0.063 0.000 1.478 1222 N HN 0.429 nan 8.380 nan 0.000 0.548 1223 D N -0.637 119.833 120.400 0.117 0.000 3.719 1223 D HA 0.110 4.749 4.640 -0.000 0.000 0.292 1223 D C -0.861 175.493 176.300 0.089 0.000 1.511 1223 D CA -0.421 53.639 54.000 0.100 0.000 0.760 1223 D CB -0.627 40.235 40.800 0.103 0.000 1.333 1223 D HN 0.045 nan 8.370 nan 0.000 0.684 1224 L N 0.760 122.044 121.223 0.101 0.000 2.722 1224 L HA 0.393 4.732 4.340 -0.000 0.000 0.244 1224 L C -1.954 175.008 176.870 0.153 0.000 1.023 1224 L CA -0.742 54.127 54.840 0.049 0.000 0.988 1224 L CB 0.698 42.690 42.059 -0.112 0.000 1.245 1224 L HN 0.049 nan 8.230 nan 0.000 0.508 1225 F N 4.790 124.736 119.950 -0.006 0.000 2.541 1225 F HA 0.563 5.090 4.527 -0.000 0.000 0.378 1225 F C -0.390 175.410 175.800 -0.000 0.000 1.068 1225 F CA -0.079 57.921 58.000 -0.000 0.000 1.199 1225 F CB 0.570 39.559 39.000 -0.017 0.000 1.091 1225 F HN 0.168 nan 8.300 nan 0.000 0.555 1226 V N 7.652 127.507 119.914 -0.099 0.000 2.628 1226 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 1226 V C -0.252 175.593 176.094 -0.414 0.000 1.045 1226 V CA -0.749 61.446 62.300 -0.174 0.000 0.905 1226 V CB 1.794 33.725 31.823 0.181 0.000 0.997 1226 V HN 0.585 nan 8.190 nan 0.000 0.436 1227 I N 2.677 123.018 120.570 -0.382 0.000 3.074 1227 I HA 0.785 4.955 4.170 -0.000 0.000 0.310 1227 I C -1.241 174.867 176.117 -0.015 0.000 1.153 1227 I CA -0.349 60.576 61.300 -0.625 0.000 0.993 1227 I CB 2.308 39.840 38.000 -0.779 0.000 1.237 1227 I HN 0.886 nan 8.210 nan 0.000 0.443 1228 W N 1.340 122.555 121.300 -0.143 0.000 3.363 1228 W HA 0.744 5.404 4.660 -0.000 0.000 0.306 1228 W C -0.530 175.986 176.519 -0.005 0.000 1.253 1228 W CA -0.966 56.343 57.345 -0.060 0.000 1.195 1228 W CB 0.082 29.523 29.460 -0.033 0.000 1.366 1228 W HN 0.644 nan 8.180 nan 0.000 0.551 1229 S N 0.209 116.038 115.700 0.215 0.000 2.641 1229 S HA 0.372 4.841 4.470 -0.000 0.000 0.251 1229 S C -0.350 174.371 174.600 0.201 0.000 1.332 1229 S CA -0.101 58.176 58.200 0.129 0.000 0.968 1229 S CB 1.164 64.416 63.200 0.086 0.000 0.987 1229 S HN 0.702 nan 8.310 nan 0.000 0.587 1230 E N -0.969 119.308 120.200 0.130 0.000 2.266 1230 E HA 0.230 4.580 4.350 -0.000 0.000 0.268 1230 E C 0.081 176.737 176.600 0.094 0.000 0.879 1230 E CA -0.678 55.807 56.400 0.142 0.000 0.762 1230 E CB 1.176 30.939 29.700 0.104 0.000 1.199 1230 E HN 0.631 nan 8.360 nan 0.000 0.422 1231 D N 2.697 123.154 120.400 0.095 0.000 2.612 1231 D HA -0.326 4.314 4.640 -0.000 0.000 0.191 1231 D C 1.013 177.337 176.300 0.040 0.000 1.061 1231 D CA 1.315 55.350 54.000 0.057 0.000 0.912 1231 D CB 0.076 40.907 40.800 0.051 0.000 0.891 1231 D HN 0.464 nan 8.370 nan 0.000 0.463 1232 N N 0.943 119.667 118.700 0.040 0.000 2.084 1232 N HA -0.088 4.651 4.740 -0.000 0.000 0.190 1232 N C 0.276 175.800 175.510 0.024 0.000 1.030 1232 N CA 0.662 53.729 53.050 0.027 0.000 0.849 1232 N CB -0.134 38.367 38.487 0.024 0.000 1.012 1232 N HN 0.266 nan 8.380 nan 0.000 0.423 1233 D N 1.221 121.639 120.400 0.029 0.000 2.515 1233 D HA -0.123 4.517 4.640 -0.000 0.000 0.230 1233 D C 1.458 177.769 176.300 0.019 0.000 1.181 1233 D CA 0.405 54.419 54.000 0.023 0.000 0.875 1233 D CB 0.570 41.387 40.800 0.029 0.000 1.213 1233 D HN 0.441 nan 8.370 nan 0.000 0.478 1234 E N 1.545 121.753 120.200 0.013 0.000 2.106 1234 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 1234 E C 0.188 176.796 176.600 0.013 0.000 0.984 1234 E CA 0.993 57.399 56.400 0.011 0.000 0.806 1234 E CB 0.263 29.968 29.700 0.007 0.000 0.750 1234 E HN 0.228 nan 8.360 nan 0.000 0.458 1235 K N 1.039 121.448 120.400 0.015 0.000 2.376 1235 K HA 0.382 4.702 4.320 -0.000 0.000 0.257 1235 K C -1.003 175.612 176.600 0.025 0.000 0.939 1235 K CA -0.509 55.788 56.287 0.017 0.000 0.809 1235 K CB 1.647 34.155 32.500 0.014 0.000 1.121 1235 K HN 0.037 nan 8.250 nan 0.000 0.425 1236 L N 5.599 126.838 121.223 0.027 0.000 2.290 1236 L HA 0.542 4.882 4.340 -0.000 0.000 0.284 1236 L C -0.160 176.733 176.870 0.038 0.000 1.078 1236 L CA -0.427 54.435 54.840 0.037 0.000 0.815 1236 L CB 0.369 42.443 42.059 0.025 0.000 1.162 1236 L HN 0.480 nan 8.230 nan 0.000 0.435 1237 I N 3.706 124.310 120.570 0.058 0.000 2.841 1237 I HA 0.419 4.589 4.170 -0.000 0.000 0.298 1237 I C -0.930 175.240 176.117 0.088 0.000 1.304 1237 I CA -0.403 60.928 61.300 0.053 0.000 1.019 1237 I CB 3.080 41.099 38.000 0.031 0.000 1.282 1237 I HN 0.449 nan 8.210 nan 0.000 0.432 1238 I N 4.333 124.940 120.570 0.061 0.000 2.410 1238 I HA 0.464 4.634 4.170 -0.000 0.000 0.286 1238 I C -0.493 175.638 176.117 0.023 0.000 1.009 1238 I CA -0.536 60.812 61.300 0.079 0.000 1.111 1238 I CB 1.594 39.615 38.000 0.035 0.000 1.262 1238 I HN 0.385 nan 8.210 nan 0.000 0.443 1239 R N 5.006 125.496 120.500 -0.016 0.000 2.346 1239 R HA 0.741 5.081 4.340 -0.000 0.000 0.311 1239 R C -1.341 174.881 176.300 -0.130 0.000 0.983 1239 R CA -0.492 55.560 56.100 -0.081 0.000 0.880 1239 R CB 1.659 31.880 30.300 -0.132 0.000 1.100 1239 R HN 0.616 nan 8.270 nan 0.000 0.453 1240 C N 2.233 121.474 119.300 -0.099 0.000 2.608 1240 C HA 0.522 4.982 4.460 -0.000 0.000 0.325 1240 C C -0.197 174.755 174.990 -0.063 0.000 1.147 1240 C CA -1.188 57.761 59.018 -0.114 0.000 1.359 1240 C CB 1.561 29.234 27.740 -0.112 0.000 1.912 1240 C HN 0.820 nan 8.230 nan 0.000 0.466 1241 R N 1.420 121.900 120.500 -0.034 0.000 2.732 1241 R HA 0.782 5.122 4.340 -0.000 0.000 0.278 1241 R C -0.034 176.292 176.300 0.043 0.000 0.976 1241 R CA -0.515 55.605 56.100 0.033 0.000 0.963 1241 R CB 1.762 32.106 30.300 0.073 0.000 1.150 1241 R HN 0.611 nan 8.270 nan 0.000 0.478 1242 V N 1.076 121.024 119.914 0.055 0.000 3.898 1242 V HA 0.278 4.397 4.120 -0.000 0.000 0.270 1242 V C 0.336 176.472 176.094 0.071 0.000 0.952 1242 V CA -0.247 62.080 62.300 0.045 0.000 0.958 1242 V CB 0.567 32.431 31.823 0.067 0.000 1.230 1242 V HN 0.444 nan 8.190 nan 0.000 0.425 1243 V N -1.025 118.929 119.914 0.068 0.000 3.177 1243 V HA 0.382 4.502 4.120 -0.000 0.000 0.287 1243 V C -0.160 175.967 176.094 0.056 0.000 1.465 1243 V CA -0.914 61.424 62.300 0.064 0.000 1.020 1243 V CB 2.113 33.977 31.823 0.067 0.000 1.152 1243 V HN 0.903 nan 8.190 nan 0.000 0.448 1255 E N -0.391 119.836 120.200 0.045 0.000 4.065 1255 E HA -0.092 4.258 4.350 -0.000 0.000 0.397 1255 E C 0.134 176.721 176.600 -0.022 0.000 0.694 1255 E CA 0.629 57.020 56.400 -0.015 0.000 1.479 1255 E CB -1.456 28.188 29.700 -0.094 0.000 1.729 1255 E HN 0.730 nan 8.360 nan 0.000 0.343 1256 E N 0.002 120.196 120.200 -0.010 0.000 2.418 1256 E HA -0.098 4.251 4.350 -0.000 0.000 0.197 1256 E C 1.090 177.491 176.600 -0.332 0.000 1.026 1256 E CA 0.568 56.922 56.400 -0.076 0.000 0.862 1256 E CB 0.220 29.984 29.700 0.106 0.000 0.799 1256 E HN 0.272 nan 8.360 nan 0.000 0.518 1257 D N 0.173 120.251 120.400 -0.536 0.000 2.123 1257 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 1257 D C 1.890 178.038 176.300 -0.253 0.000 0.976 1257 D CA 0.916 54.534 54.000 -0.637 0.000 0.831 1257 D CB -0.106 40.288 40.800 -0.677 0.000 0.974 1257 D HN 0.264 nan 8.370 nan 0.000 0.469 1258 H N 0.610 119.543 119.070 -0.228 0.000 2.389 1258 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 1258 H C 1.811 177.082 175.328 -0.095 0.000 1.081 1258 H CA 0.943 56.913 56.048 -0.129 0.000 1.345 1258 H CB 0.197 29.905 29.762 -0.090 0.000 1.393 1258 H HN -0.008 nan 8.280 nan 0.000 0.520 1259 M N -0.027 119.663 119.600 0.150 0.000 2.254 1259 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 1259 M C 2.400 178.712 176.300 0.020 0.000 1.066 1259 M CA 0.582 55.949 55.300 0.112 0.000 1.123 1259 M CB -0.497 32.149 32.600 0.076 0.000 1.388 1259 M HN 0.209 nan 8.290 nan 0.000 0.425 1260 L N -0.317 120.880 121.223 -0.043 0.000 2.109 1260 L HA -0.093 4.246 4.340 -0.000 0.000 0.207 1260 L C 2.010 178.846 176.870 -0.057 0.000 1.086 1260 L CA 1.633 56.442 54.840 -0.051 0.000 0.760 1260 L CB -0.369 41.648 42.059 -0.069 0.000 0.910 1260 L HN 0.154 nan 8.230 nan 0.000 0.437 1261 K N -0.658 119.686 120.400 -0.093 0.000 2.281 1261 K HA -0.191 4.129 4.320 -0.000 0.000 0.203 1261 K C 1.925 178.476 176.600 -0.081 0.000 1.046 1261 K CA 1.256 57.480 56.287 -0.106 0.000 0.938 1261 K CB -0.010 32.388 32.500 -0.170 0.000 0.737 1261 K HN 0.338 nan 8.250 nan 0.000 0.458 1262 K N 0.639 121.006 120.400 -0.057 0.000 1.980 1262 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 1262 K C 1.966 178.592 176.600 0.043 0.000 1.043 1262 K CA 1.188 57.469 56.287 -0.010 0.000 0.938 1262 K CB -0.177 32.343 32.500 0.033 0.000 0.724 1262 K HN 0.036 nan 8.250 nan 0.000 0.438 1263 I N 2.004 122.613 120.570 0.065 0.000 2.502 1263 I HA -0.284 3.886 4.170 -0.000 0.000 0.258 1263 I C 2.454 178.622 176.117 0.085 0.000 1.172 1263 I CA 1.059 62.431 61.300 0.120 0.000 1.430 1263 I CB -0.433 37.558 38.000 -0.015 0.000 1.086 1263 I HN 0.283 nan 8.210 nan 0.000 0.440 1264 E N 1.977 122.193 120.200 0.026 0.000 2.049 1264 E HA -0.268 4.082 4.350 -0.000 0.000 0.198 1264 E C 1.806 178.431 176.600 0.040 0.000 1.007 1264 E CA 2.042 58.451 56.400 0.015 0.000 0.809 1264 E CB -0.241 29.449 29.700 -0.017 0.000 0.749 1264 E HN 0.432 nan 8.360 nan 0.000 0.450 1265 N N -0.620 118.104 118.700 0.040 0.000 2.220 1265 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 1265 N C 1.718 177.269 175.510 0.069 0.000 1.023 1265 N CA 1.766 54.841 53.050 0.041 0.000 0.856 1265 N CB -0.603 37.896 38.487 0.020 0.000 0.997 1265 N HN 0.262 nan 8.380 nan 0.000 0.429 1266 T N 1.476 116.090 114.554 0.099 0.000 2.896 1266 T HA -0.109 4.240 4.350 -0.000 0.000 0.270 1266 T C 1.841 176.622 174.700 0.135 0.000 1.104 1266 T CA 1.058 63.219 62.100 0.103 0.000 1.115 1266 T CB -0.035 68.928 68.868 0.158 0.000 0.843 1266 T HN 0.263 nan 8.240 nan 0.000 0.523 1267 M N -0.668 119.051 119.600 0.199 0.000 2.545 1267 M HA 0.261 4.741 4.480 -0.000 0.000 0.264 1267 M C 1.894 178.245 176.300 0.086 0.000 1.155 1267 M CA 0.742 56.162 55.300 0.200 0.000 1.162 1267 M CB 0.081 32.809 32.600 0.213 0.000 1.330 1267 M HN 0.173 nan 8.290 nan 0.000 0.479 1268 L N -0.274 120.986 121.223 0.062 0.000 2.162 1268 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 1268 L C 2.114 178.999 176.870 0.025 0.000 1.086 1268 L CA 0.769 55.628 54.840 0.032 0.000 0.778 1268 L CB -0.185 41.888 42.059 0.024 0.000 0.928 1268 L HN 0.249 nan 8.230 nan 0.000 0.446 1269 E N -0.715 119.503 120.200 0.029 0.000 2.340 1269 E HA 0.065 4.415 4.350 -0.000 0.000 0.198 1269 E C 0.511 177.127 176.600 0.027 0.000 0.961 1269 E CA 0.299 56.715 56.400 0.027 0.000 0.905 1269 E CB 0.135 29.848 29.700 0.021 0.000 0.884 1269 E HN 0.405 nan 8.360 nan 0.000 0.491 1270 N N 0.734 119.442 118.700 0.013 0.000 2.380 1270 N HA 0.252 4.991 4.740 -0.000 0.000 0.255 1270 N C -0.333 175.164 175.510 -0.022 0.000 1.158 1270 N CA 0.100 53.147 53.050 -0.006 0.000 0.878 1270 N CB 1.428 39.893 38.487 -0.037 0.000 1.138 1270 N HN 0.106 nan 8.380 nan 0.000 0.509 1271 I N 0.601 121.168 120.570 -0.005 0.000 2.466 1271 I HA 0.219 4.388 4.170 -0.000 0.000 0.289 1271 I C -0.537 175.555 176.117 -0.042 0.000 1.026 1271 I CA -0.254 61.032 61.300 -0.024 0.000 1.078 1271 I CB 2.041 40.034 38.000 -0.011 0.000 1.249 1271 I HN -0.184 nan 8.210 nan 0.000 0.429 1272 T N 6.401 120.925 114.554 -0.049 0.000 2.856 1272 T HA 0.439 4.788 4.350 -0.000 0.000 0.283 1272 T C 0.470 175.110 174.700 -0.100 0.000 1.008 1272 T CA -0.471 61.560 62.100 -0.116 0.000 0.997 1272 T CB 2.417 71.272 68.868 -0.021 0.000 0.992 1272 T HN 0.232 nan 8.240 nan 0.000 0.454 1273 L N 1.189 122.331 121.223 -0.136 0.000 2.356 1273 L HA 0.457 4.797 4.340 -0.000 0.000 0.193 1273 L C 1.049 177.874 176.870 -0.074 0.000 1.087 1273 L CA 1.135 55.917 54.840 -0.096 0.000 0.817 1273 L CB -0.333 41.665 42.059 -0.102 0.000 1.035 1273 L HN 0.471 nan 8.230 nan 0.000 0.482 1274 R N -1.729 118.721 120.500 -0.084 0.000 2.950 1274 R HA 0.678 5.018 4.340 -0.000 0.000 0.253 1274 R C -0.432 175.858 176.300 -0.016 0.000 1.168 1274 R CA -0.452 55.623 56.100 -0.041 0.000 1.014 1274 R CB 0.760 31.039 30.300 -0.035 0.000 1.228 1274 R HN 0.175 nan 8.270 nan 0.000 0.487 1275 G N -0.344 108.470 108.800 0.024 0.000 2.814 1275 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.677 1275 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.677 1275 G C -0.841 174.127 174.900 0.114 0.000 1.429 1275 G CA -0.529 44.615 45.100 0.073 0.000 0.868 1275 G HN 0.436 nan 8.290 nan 0.000 0.553 1276 V N 0.404 120.379 119.914 0.101 0.000 2.612 1276 V HA 0.638 4.758 4.120 -0.000 0.000 0.301 1276 V C 0.976 177.092 176.094 0.037 0.000 1.046 1276 V CA -0.092 62.248 62.300 0.067 0.000 0.946 1276 V CB 1.462 33.302 31.823 0.029 0.000 1.003 1276 V HN 1.228 nan 8.190 nan 0.000 0.459 1277 E N 2.972 123.144 120.200 -0.046 0.000 2.455 1277 E HA 0.019 4.369 4.350 -0.000 0.000 0.259 1277 E C 0.375 176.853 176.600 -0.202 0.000 1.245 1277 E CA 0.156 56.394 56.400 -0.270 0.000 1.013 1277 E CB -0.024 29.546 29.700 -0.217 0.000 0.978 1277 E HN 0.644 nan 8.360 nan 0.000 0.479 1278 N N -1.515 117.031 118.700 -0.257 0.000 2.886 1278 N HA -0.242 4.497 4.740 -0.000 0.000 0.223 1278 N C -0.246 175.207 175.510 -0.094 0.000 0.828 1278 N CA 1.790 54.752 53.050 -0.146 0.000 1.180 1278 N CB -1.418 37.012 38.487 -0.095 0.000 0.972 1278 N HN 0.485 nan 8.380 nan 0.000 0.616 1279 I N 2.938 123.467 120.570 -0.069 0.000 2.357 1279 I HA 0.018 4.187 4.170 -0.000 0.000 0.300 1279 I C 1.209 177.344 176.117 0.030 0.000 1.159 1279 I CA 0.419 61.715 61.300 -0.008 0.000 1.339 1279 I CB 0.139 38.151 38.000 0.019 0.000 1.458 1279 I HN 0.011 nan 8.210 nan 0.000 0.577 1280 E N 4.845 125.055 120.200 0.016 0.000 4.517 1280 E HA 0.213 4.563 4.350 -0.000 0.000 0.408 1280 E C 0.606 177.230 176.600 0.040 0.000 1.456 1280 E CA -0.759 55.665 56.400 0.039 0.000 2.449 1280 E CB 0.131 29.840 29.700 0.014 0.000 1.556 1280 E HN 0.384 nan 8.360 nan 0.000 0.781 1281 R N 0.003 120.513 120.500 0.017 0.000 2.531 1281 R HA -0.095 4.245 4.340 -0.000 0.000 0.273 1281 R C -1.010 175.315 176.300 0.041 0.000 0.974 1281 R CA 0.464 56.564 56.100 -0.001 0.000 1.088 1281 R CB 0.109 30.372 30.300 -0.062 0.000 0.880 1281 R HN 0.125 nan 8.270 nan 0.000 0.426 1282 V N 4.972 124.947 119.914 0.102 0.000 2.655 1282 V HA 0.266 4.385 4.120 -0.000 0.000 0.301 1282 V C -0.513 175.699 176.094 0.197 0.000 1.082 1282 V CA -0.782 61.590 62.300 0.120 0.000 0.899 1282 V CB 1.980 33.865 31.823 0.103 0.000 1.014 1282 V HN 0.565 nan 8.190 nan 0.000 0.429 1283 V N 5.072 125.072 119.914 0.144 0.000 2.834 1283 V HA 0.555 4.675 4.120 -0.000 0.000 0.313 1283 V C 0.106 176.275 176.094 0.125 0.000 1.060 1283 V CA -0.704 61.704 62.300 0.181 0.000 0.989 1283 V CB 2.126 34.036 31.823 0.145 0.000 1.041 1283 V HN 0.789 nan 8.190 nan 0.000 0.459 1284 M N 3.867 123.559 119.600 0.154 0.000 2.238 1284 M HA 0.567 5.047 4.480 -0.000 0.000 0.350 1284 M C -0.919 175.530 176.300 0.249 0.000 1.138 1284 M CA -0.245 55.183 55.300 0.213 0.000 1.040 1284 M CB 1.592 34.331 32.600 0.232 0.000 1.639 1284 M HN 0.387 nan 8.290 nan 0.000 0.451 1285 M N 2.444 122.118 119.600 0.123 0.000 2.501 1285 M HA 0.394 4.874 4.480 -0.000 0.000 0.293 1285 M C -0.985 175.049 176.300 -0.444 0.000 1.192 1285 M CA -0.632 54.603 55.300 -0.108 0.000 0.886 1285 M CB 2.383 34.899 32.600 -0.141 0.000 1.710 1285 M HN 0.518 nan 8.290 nan 0.000 0.457 1286 K N 2.783 122.854 120.400 -0.548 0.000 2.414 1286 K HA 0.419 4.739 4.320 -0.000 0.000 0.251 1286 K C -1.513 174.976 176.600 -0.185 0.000 1.037 1286 K CA -0.134 55.714 56.287 -0.733 0.000 0.980 1286 K CB 0.593 32.434 32.500 -1.099 0.000 1.280 1286 K HN 0.612 nan 8.250 nan 0.000 0.451 1287 Y N 1.547 121.734 120.300 -0.189 0.000 2.309 1287 Y HA 0.062 4.612 4.550 -0.000 0.000 0.327 1287 Y C 0.776 176.638 175.900 -0.064 0.000 1.172 1287 Y CA -1.139 56.920 58.100 -0.068 0.000 1.280 1287 Y CB 0.929 39.413 38.460 0.040 0.000 1.234 1287 Y HN 0.455 nan 8.280 nan 0.000 0.512 1288 D N 3.209 123.678 120.400 0.115 0.000 2.304 1288 D HA 0.165 4.805 4.640 -0.000 0.000 0.250 1288 D C -0.590 175.754 176.300 0.075 0.000 1.107 1288 D CA -0.098 53.935 54.000 0.054 0.000 0.885 1288 D CB 0.940 41.753 40.800 0.022 0.000 1.192 1288 D HN 0.501 nan 8.370 nan 0.000 0.436 1289 R N 2.876 123.418 120.500 0.069 0.000 2.574 1289 R HA 0.246 4.586 4.340 -0.000 0.000 0.288 1289 R C -0.725 175.620 176.300 0.074 0.000 1.004 1289 R CA -0.737 55.408 56.100 0.074 0.000 0.895 1289 R CB 1.239 31.591 30.300 0.087 0.000 1.191 1289 R HN 0.236 nan 8.270 nan 0.000 0.444 1290 K N 2.657 123.108 120.400 0.085 0.000 2.276 1290 K HA 0.321 4.641 4.320 -0.000 0.000 0.283 1290 K C -1.028 175.706 176.600 0.223 0.000 1.044 1290 K CA -0.260 56.116 56.287 0.148 0.000 0.944 1290 K CB 1.720 34.289 32.500 0.114 0.000 1.012 1290 K HN 0.277 nan 8.250 nan 0.000 0.472 1291 V N 5.359 125.396 119.914 0.205 0.000 3.012 1291 V HA 0.318 4.438 4.120 -0.000 0.000 0.307 1291 V C -2.627 173.375 176.094 -0.154 0.000 1.166 1291 V CA -2.538 59.805 62.300 0.071 0.000 0.974 1291 V CB 2.558 34.392 31.823 0.019 0.000 1.040 1291 V HN 0.567 nan 8.190 nan 0.000 0.428 1292 P HA 0.152 nan 4.420 nan 0.000 0.266 1292 P C -0.534 176.616 177.300 -0.251 0.000 1.215 1292 P CA 0.608 63.381 63.100 -0.545 0.000 0.763 1292 P CB 0.591 31.989 31.700 -0.504 0.000 0.806 1293 S N 5.816 121.399 115.700 -0.194 0.000 2.593 1293 S HA 0.211 4.681 4.470 -0.000 0.000 0.269 1293 S C -0.926 173.619 174.600 -0.091 0.000 1.334 1293 S CA -1.337 56.804 58.200 -0.098 0.000 1.015 1293 S CB -0.128 63.038 63.200 -0.057 0.000 0.912 1293 S HN 0.300 nan 8.310 nan 0.000 0.541 1294 P HA -0.123 nan 4.420 nan 0.000 0.215 1294 P C 1.506 178.780 177.300 -0.043 0.000 1.153 1294 P CA 1.857 64.929 63.100 -0.047 0.000 0.853 1294 P CB -0.609 31.075 31.700 -0.027 0.000 0.788 1295 T N -3.185 111.351 114.554 -0.031 0.000 3.051 1295 T HA 0.159 4.509 4.350 -0.000 0.000 0.269 1295 T C 1.419 176.104 174.700 -0.026 0.000 1.127 1295 T CA 1.932 64.021 62.100 -0.018 0.000 1.107 1295 T CB -0.623 68.243 68.868 -0.003 0.000 0.898 1295 T HN 0.354 nan 8.240 nan 0.000 0.517 1296 G N 0.617 109.382 108.800 -0.059 0.000 3.131 1296 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.198 1296 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.198 1296 G C -0.182 174.664 174.900 -0.090 0.000 1.435 1296 G CA -0.104 44.950 45.100 -0.076 0.000 1.016 1296 G HN 0.674 nan 8.290 nan 0.000 0.499 1297 E N 0.621 120.807 120.200 -0.023 0.000 2.468 1297 E HA 0.451 4.801 4.350 -0.000 0.000 0.263 1297 E C -0.428 176.161 176.600 -0.018 0.000 1.192 1297 E CA 0.019 56.439 56.400 0.033 0.000 1.016 1297 E CB 0.270 30.004 29.700 0.057 0.000 0.980 1297 E HN 0.462 nan 8.360 nan 0.000 0.467 1298 Y N -0.625 119.676 120.300 0.002 0.000 2.320 1298 Y HA 0.472 5.022 4.550 -0.000 0.000 0.324 1298 Y C -0.074 175.826 175.900 0.002 0.000 1.190 1298 Y CA -0.471 57.629 58.100 -0.001 0.000 1.215 1298 Y CB 1.240 39.700 38.460 -0.000 0.000 1.221 1298 Y HN 0.153 nan 8.280 nan 0.000 0.486 1299 V N 2.088 122.077 119.914 0.126 0.000 3.114 1299 V HA 0.302 4.422 4.120 -0.000 0.000 0.308 1299 V C -0.932 175.207 176.094 0.075 0.000 1.168 1299 V CA -1.988 60.361 62.300 0.081 0.000 1.015 1299 V CB 2.210 34.056 31.823 0.038 0.000 1.050 1299 V HN 0.528 nan 8.190 nan 0.000 0.433 1300 K N 2.189 122.622 120.400 0.056 0.000 2.245 1300 K HA 0.149 4.468 4.320 -0.000 0.000 0.281 1300 K C 0.020 176.643 176.600 0.038 0.000 1.079 1300 K CA 0.335 56.649 56.287 0.045 0.000 1.000 1300 K CB 0.269 32.789 32.500 0.032 0.000 1.038 1300 K HN 0.645 nan 8.250 nan 0.000 0.430 1301 E N 5.371 125.597 120.200 0.043 0.000 2.969 1301 E HA 0.126 4.476 4.350 -0.000 0.000 0.213 1301 E C -2.234 174.388 176.600 0.038 0.000 1.107 1301 E CA -2.298 54.125 56.400 0.038 0.000 1.007 1301 E CB 0.466 30.186 29.700 0.035 0.000 1.326 1301 E HN 0.318 nan 8.360 nan 0.000 0.432 1302 P HA -0.133 nan 4.420 nan 0.000 0.263 1302 P C -0.807 176.483 177.300 -0.017 0.000 1.175 1302 P CA 0.698 63.792 63.100 -0.010 0.000 0.761 1302 P CB 0.578 32.248 31.700 -0.050 0.000 0.794 1303 E N 1.733 121.912 120.200 -0.035 0.000 2.369 1303 E HA 0.469 4.819 4.350 -0.000 0.000 0.270 1303 E C -1.325 175.184 176.600 -0.152 0.000 0.909 1303 E CA -1.033 55.367 56.400 0.000 0.000 0.775 1303 E CB 0.912 30.675 29.700 0.105 0.000 1.270 1303 E HN 0.268 nan 8.360 nan 0.000 0.445 1304 W N 1.432 122.741 121.300 0.016 0.000 2.315 1304 W HA 0.489 5.148 4.660 -0.000 0.000 0.316 1304 W C -0.765 175.690 176.519 -0.107 0.000 1.211 1304 W CA -0.107 57.208 57.345 -0.049 0.000 1.201 1304 W CB 1.578 31.025 29.460 -0.022 0.000 1.184 1304 W HN 0.283 nan 8.180 nan 0.000 0.544 1305 V N 4.485 124.349 119.914 -0.084 0.000 2.888 1305 V HA 0.427 4.547 4.120 -0.000 0.000 0.309 1305 V C -0.489 175.472 176.094 -0.222 0.000 1.114 1305 V CA -1.301 60.830 62.300 -0.281 0.000 0.940 1305 V CB 1.682 33.042 31.823 -0.772 0.000 1.021 1305 V HN 0.285 nan 8.190 nan 0.000 0.426 1306 L N 2.665 123.786 121.223 -0.171 0.000 2.295 1306 L HA 0.603 4.942 4.340 -0.000 0.000 0.285 1306 L C -0.032 176.778 176.870 -0.100 0.000 1.035 1306 L CA -0.417 54.374 54.840 -0.081 0.000 0.806 1306 L CB 1.562 43.606 42.059 -0.025 0.000 1.214 1306 L HN 0.659 nan 8.230 nan 0.000 0.426 1307 E N 1.882 122.062 120.200 -0.032 0.000 2.092 1307 E HA 0.227 4.577 4.350 -0.000 0.000 0.271 1307 E C -0.239 176.373 176.600 0.020 0.000 0.919 1307 E CA -0.318 56.085 56.400 0.006 0.000 0.760 1307 E CB 2.092 31.828 29.700 0.059 0.000 1.106 1307 E HN 0.510 nan 8.360 nan 0.000 0.408 1308 T N 1.270 115.829 114.554 0.009 0.000 3.141 1308 T HA -0.019 4.331 4.350 -0.000 0.000 0.391 1308 T C 0.112 174.819 174.700 0.013 0.000 1.170 1308 T CA 0.267 62.374 62.100 0.012 0.000 1.054 1308 T CB 0.288 69.155 68.868 -0.001 0.000 1.487 1308 T HN 0.511 nan 8.240 nan 0.000 0.530 1309 D N -0.418 119.984 120.400 0.004 0.000 4.082 1309 D HA 0.303 4.943 4.640 -0.000 0.000 0.255 1309 D C -0.488 175.805 176.300 -0.011 0.000 1.427 1309 D CA 0.250 54.249 54.000 -0.001 0.000 0.804 1309 D CB -0.323 40.479 40.800 0.003 0.000 1.364 1309 D HN 0.914 nan 8.370 nan 0.000 0.809 1310 G N -0.484 108.304 108.800 -0.020 0.000 2.358 1310 G HA2 0.336 4.295 3.960 -0.000 0.000 0.303 1310 G HA3 0.336 4.295 3.960 -0.000 0.000 0.303 1310 G C -1.910 172.968 174.900 -0.037 0.000 1.537 1310 G CA -0.509 44.572 45.100 -0.032 0.000 0.928 1310 G HN 0.069 nan 8.290 nan 0.000 0.656 1311 V N 1.197 121.083 119.914 -0.046 0.000 2.588 1311 V HA 0.773 4.893 4.120 -0.000 0.000 0.304 1311 V C -0.620 175.449 176.094 -0.043 0.000 1.042 1311 V CA -0.882 61.390 62.300 -0.047 0.000 0.877 1311 V CB 2.060 33.846 31.823 -0.062 0.000 0.996 1311 V HN 0.856 nan 8.190 nan 0.000 0.425 1312 N N 3.878 122.558 118.700 -0.032 0.000 2.732 1312 N HA 0.244 4.984 4.740 -0.000 0.000 0.247 1312 N C -0.026 175.477 175.510 -0.011 0.000 1.305 1312 N CA -0.411 52.623 53.050 -0.025 0.000 0.762 1312 N CB 1.233 39.704 38.487 -0.027 0.000 1.361 1312 N HN 0.445 nan 8.380 nan 0.000 0.545 1313 L N 2.125 123.342 121.223 -0.009 0.000 1.937 1313 L HA -0.052 4.288 4.340 -0.000 0.000 0.213 1313 L C 2.309 179.188 176.870 0.014 0.000 1.077 1313 L CA 2.485 57.329 54.840 0.005 0.000 0.758 1313 L CB -1.166 40.898 42.059 0.008 0.000 0.888 1313 L HN 0.662 nan 8.230 nan 0.000 0.433 1314 S N -1.368 114.340 115.700 0.013 0.000 2.432 1314 S HA -0.322 4.148 4.470 -0.000 0.000 0.243 1314 S C 1.787 176.397 174.600 0.016 0.000 1.069 1314 S CA 1.848 60.058 58.200 0.016 0.000 1.047 1314 S CB -0.635 62.572 63.200 0.012 0.000 0.854 1314 S HN 0.569 nan 8.310 nan 0.000 0.474 1315 E N 0.859 121.066 120.200 0.012 0.000 2.035 1315 E HA 0.146 4.496 4.350 -0.000 0.000 0.191 1315 E C 2.161 178.772 176.600 0.019 0.000 0.966 1315 E CA 0.947 57.355 56.400 0.013 0.000 0.823 1315 E CB -0.476 29.229 29.700 0.007 0.000 0.791 1315 E HN 0.334 nan 8.360 nan 0.000 0.459 1316 V N 1.656 121.581 119.914 0.018 0.000 2.944 1316 V HA -0.257 3.863 4.120 -0.000 0.000 0.265 1316 V C 2.195 178.310 176.094 0.034 0.000 1.125 1316 V CA 1.647 63.961 62.300 0.024 0.000 1.145 1316 V CB -0.660 31.175 31.823 0.020 0.000 0.725 1316 V HN 0.303 nan 8.190 nan 0.000 0.510 1317 M N 1.358 120.979 119.600 0.035 0.000 2.236 1317 M HA -0.120 4.359 4.480 -0.000 0.000 0.266 1317 M C 2.194 178.520 176.300 0.043 0.000 1.070 1317 M CA 2.075 57.402 55.300 0.045 0.000 1.137 1317 M CB -0.128 32.499 32.600 0.044 0.000 1.378 1317 M HN 0.551 nan 8.290 nan 0.000 0.426 1318 T N -1.751 112.825 114.554 0.035 0.000 3.148 1318 T HA 0.173 4.523 4.350 -0.000 0.000 0.253 1318 T C 0.546 175.266 174.700 0.033 0.000 1.134 1318 T CA -0.265 61.854 62.100 0.033 0.000 1.051 1318 T CB -0.873 68.011 68.868 0.027 0.000 0.959 1318 T HN 0.130 nan 8.240 nan 0.000 0.525 1319 V N 4.743 124.678 119.914 0.035 0.000 2.763 1319 V HA 0.200 4.320 4.120 -0.000 0.000 0.306 1319 V C -1.596 174.523 176.094 0.042 0.000 1.059 1319 V CA -1.497 60.823 62.300 0.034 0.000 1.138 1319 V CB 0.335 32.178 31.823 0.034 0.000 0.940 1319 V HN 0.427 nan 8.190 nan 0.000 0.489 1320 P HA 0.327 nan 4.420 nan 0.000 0.278 1320 P C 0.618 177.955 177.300 0.062 0.000 1.238 1320 P CA 0.627 63.755 63.100 0.048 0.000 0.794 1320 P CB 1.417 33.139 31.700 0.036 0.000 0.955 1321 G N 1.764 110.621 108.800 0.093 0.000 2.175 1321 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 1321 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 1321 G C 0.153 175.141 174.900 0.146 0.000 0.982 1321 G CA 0.292 45.478 45.100 0.143 0.000 0.641 1321 G HN 0.758 nan 8.290 nan 0.000 0.527 1322 I N -2.786 117.846 120.570 0.104 0.000 2.947 1322 I HA 0.803 4.972 4.170 -0.000 0.000 0.314 1322 I C -0.803 175.372 176.117 0.096 0.000 1.028 1322 I CA -1.245 60.117 61.300 0.103 0.000 1.077 1322 I CB 1.835 39.887 38.000 0.087 0.000 1.274 1322 I HN -0.124 nan 8.210 nan 0.000 0.485 1323 D N 4.153 124.623 120.400 0.116 0.000 2.485 1323 D HA 0.291 4.931 4.640 -0.000 0.000 0.221 1323 D C -1.741 174.625 176.300 0.110 0.000 1.112 1323 D CA -2.115 51.946 54.000 0.102 0.000 0.911 1323 D CB 1.097 41.970 40.800 0.122 0.000 1.019 1323 D HN 0.386 nan 8.370 nan 0.000 0.516 1324 P HA -0.054 nan 4.420 nan 0.000 0.244 1324 P C 0.956 178.304 177.300 0.080 0.000 1.211 1324 P CA 0.473 63.622 63.100 0.081 0.000 0.760 1324 P CB 0.441 32.178 31.700 0.061 0.000 0.961 1325 T N -0.584 114.016 114.554 0.078 0.000 3.015 1325 T HA 0.163 4.512 4.350 -0.000 0.000 0.250 1325 T C 1.429 176.173 174.700 0.073 0.000 1.057 1325 T CA 0.357 62.493 62.100 0.060 0.000 1.066 1325 T CB 0.091 68.978 68.868 0.031 0.000 0.959 1325 T HN 0.168 nan 8.240 nan 0.000 0.488 1326 R N 0.292 120.859 120.500 0.111 0.000 2.508 1326 R HA 0.459 4.799 4.340 -0.000 0.000 0.300 1326 R C 0.407 176.910 176.300 0.338 0.000 0.970 1326 R CA -0.258 55.918 56.100 0.127 0.000 1.102 1326 R CB 0.434 30.707 30.300 -0.046 0.000 1.246 1326 R HN 0.326 nan 8.270 nan 0.000 0.539 1327 I N 1.935 122.684 120.570 0.298 0.000 2.668 1327 I HA -0.048 4.122 4.170 -0.000 0.000 0.285 1327 I C -0.836 175.485 176.117 0.339 0.000 1.168 1327 I CA 0.148 61.629 61.300 0.302 0.000 1.424 1327 I CB 0.227 38.332 38.000 0.175 0.000 1.377 1327 I HN 0.050 nan 8.210 nan 0.000 0.560 1328 Y N 6.508 126.933 120.300 0.207 0.000 2.499 1328 Y HA 0.518 5.068 4.550 -0.000 0.000 0.347 1328 Y C -0.767 175.210 175.900 0.129 0.000 0.987 1328 Y CA -0.735 57.472 58.100 0.178 0.000 1.044 1328 Y CB 1.962 40.561 38.460 0.232 0.000 1.245 1328 Y HN 0.490 nan 8.280 nan 0.000 0.461 1329 T N 5.042 119.123 114.554 -0.788 0.000 2.886 1329 T HA 0.151 4.501 4.350 -0.000 0.000 0.292 1329 T C 0.488 174.677 174.700 -0.853 0.000 1.012 1329 T CA -0.722 61.027 62.100 -0.585 0.000 0.982 1329 T CB 0.956 69.669 68.868 -0.258 0.000 1.018 1329 T HN 0.741 nan 8.240 nan 0.000 0.451 1330 N N 1.046 119.463 118.700 -0.473 0.000 2.453 1330 N HA -0.066 4.673 4.740 -0.000 0.000 0.183 1330 N C 1.006 176.459 175.510 -0.095 0.000 1.041 1330 N CA 0.338 53.260 53.050 -0.213 0.000 0.900 1330 N CB 0.070 38.544 38.487 -0.022 0.000 0.961 1330 N HN 0.369 nan 8.380 nan 0.000 0.443 1331 S N 0.575 116.179 115.700 -0.160 0.000 3.829 1331 S HA 0.058 4.528 4.470 -0.000 0.000 0.250 1331 S C 0.658 175.163 174.600 -0.158 0.000 1.263 1331 S CA -0.814 57.269 58.200 -0.195 0.000 0.955 1331 S CB -1.358 61.737 63.200 -0.175 0.000 1.611 1331 S HN 0.381 nan 8.310 nan 0.000 0.483 1332 F N 3.074 123.024 119.950 -0.001 0.000 2.287 1332 F HA -0.068 4.459 4.527 -0.000 0.000 0.301 1332 F C 1.451 177.275 175.800 0.041 0.000 1.069 1332 F CA 0.607 58.636 58.000 0.049 0.000 1.372 1332 F CB -0.595 38.462 39.000 0.096 0.000 1.056 1332 F HN 0.457 nan 8.300 nan 0.000 0.523 1333 I N 1.222 121.530 120.570 -0.437 0.000 2.286 1333 I HA -0.245 3.924 4.170 -0.000 0.000 0.248 1333 I C 1.992 178.089 176.117 -0.033 0.000 1.115 1333 I CA 1.587 62.762 61.300 -0.207 0.000 1.392 1333 I CB -0.835 36.967 38.000 -0.330 0.000 1.065 1333 I HN 0.281 nan 8.210 nan 0.000 0.418 1334 D N 0.582 120.948 120.400 -0.056 0.000 2.107 1334 D HA -0.083 4.557 4.640 -0.000 0.000 0.204 1334 D C 2.289 178.613 176.300 0.040 0.000 0.978 1334 D CA 0.918 54.909 54.000 -0.015 0.000 0.852 1334 D CB -0.080 40.694 40.800 -0.044 0.000 1.008 1334 D HN 0.232 nan 8.370 nan 0.000 0.458 1335 I N 1.398 122.008 120.570 0.067 0.000 2.290 1335 I HA -0.305 3.865 4.170 -0.000 0.000 0.253 1335 I C 2.545 178.736 176.117 0.123 0.000 1.112 1335 I CA 0.806 62.173 61.300 0.112 0.000 1.377 1335 I CB -0.195 37.911 38.000 0.177 0.000 1.060 1335 I HN 0.114 nan 8.210 nan 0.000 0.428 1336 M N 0.631 120.318 119.600 0.146 0.000 2.080 1336 M HA -0.238 4.242 4.480 -0.000 0.000 0.260 1336 M C 2.062 178.418 176.300 0.093 0.000 1.068 1336 M CA 2.037 57.421 55.300 0.140 0.000 1.109 1336 M CB -0.601 32.110 32.600 0.185 0.000 1.342 1336 M HN 0.265 nan 8.290 nan 0.000 0.405 1337 E N -1.079 119.164 120.200 0.072 0.000 2.112 1337 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 1337 E C 1.975 178.603 176.600 0.046 0.000 0.979 1337 E CA 1.122 57.552 56.400 0.051 0.000 0.814 1337 E CB 0.121 29.841 29.700 0.034 0.000 0.762 1337 E HN 0.366 nan 8.360 nan 0.000 0.460 1338 V N 1.349 121.292 119.914 0.048 0.000 2.278 1338 V HA -0.161 3.959 4.120 -0.000 0.000 0.238 1338 V C 2.169 178.294 176.094 0.052 0.000 1.039 1338 V CA 1.205 63.533 62.300 0.045 0.000 1.017 1338 V CB -0.442 31.409 31.823 0.045 0.000 0.657 1338 V HN 0.217 nan 8.190 nan 0.000 0.462 1339 L N 0.414 121.676 121.223 0.065 0.000 2.552 1339 L HA 0.381 4.721 4.340 -0.000 0.000 0.227 1339 L C 1.040 177.947 176.870 0.062 0.000 1.146 1339 L CA 0.754 55.633 54.840 0.067 0.000 0.858 1339 L CB -1.061 41.049 42.059 0.085 0.000 0.969 1339 L HN 0.619 nan 8.230 nan 0.000 0.451 1340 G N 0.087 108.925 108.800 0.064 0.000 2.619 1340 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 1340 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 1340 G C 0.013 174.954 174.900 0.069 0.000 1.256 1340 G CA -0.274 44.861 45.100 0.059 0.000 0.826 1340 G HN -0.069 nan 8.290 nan 0.000 0.619 1341 I N 0.373 120.980 120.570 0.062 0.000 2.163 1341 I HA -0.052 4.118 4.170 -0.000 0.000 0.243 1341 I C 2.480 178.634 176.117 0.061 0.000 1.085 1341 I CA 2.608 63.947 61.300 0.066 0.000 1.347 1341 I CB -0.139 37.895 38.000 0.057 0.000 1.044 1341 I HN 0.651 nan 8.210 nan 0.000 0.408 1342 E N 0.723 120.954 120.200 0.050 0.000 2.097 1342 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1342 E C 2.240 178.869 176.600 0.049 0.000 1.000 1342 E CA 1.588 58.013 56.400 0.041 0.000 0.804 1342 E CB -0.620 29.099 29.700 0.030 0.000 0.740 1342 E HN 0.633 nan 8.360 nan 0.000 0.454 1343 A N 0.651 123.510 122.820 0.064 0.000 1.968 1343 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 1343 A C 2.420 180.074 177.584 0.117 0.000 1.169 1343 A CA 1.661 53.750 52.037 0.086 0.000 0.638 1343 A CB -0.875 18.183 19.000 0.097 0.000 0.812 1343 A HN 0.327 nan 8.150 nan 0.000 0.446 1344 G N -0.345 108.524 108.800 0.115 0.000 2.545 1344 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.217 1344 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.217 1344 G C 1.722 176.677 174.900 0.091 0.000 1.218 1344 G CA 0.992 46.177 45.100 0.142 0.000 0.787 1344 G HN 0.480 nan 8.290 nan 0.000 0.571 1345 R N 0.663 121.192 120.500 0.050 0.000 2.154 1345 R HA -0.136 4.203 4.340 -0.000 0.000 0.248 1345 R C 2.845 179.172 176.300 0.045 0.000 1.155 1345 R CA 1.493 57.603 56.100 0.016 0.000 0.979 1345 R CB -0.397 29.911 30.300 0.013 0.000 0.869 1345 R HN 0.357 nan 8.270 nan 0.000 0.452 1346 A N 0.272 123.132 122.820 0.066 0.000 1.873 1346 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 1346 A C 2.291 179.963 177.584 0.148 0.000 1.186 1346 A CA 1.625 53.709 52.037 0.077 0.000 0.616 1346 A CB -0.569 18.465 19.000 0.055 0.000 0.823 1346 A HN 0.482 nan 8.150 nan 0.000 0.442 1347 A N -0.439 122.499 122.820 0.197 0.000 1.840 1347 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 1347 A C 2.079 179.782 177.584 0.199 0.000 1.198 1347 A CA 1.580 53.809 52.037 0.321 0.000 0.608 1347 A CB -0.853 18.442 19.000 0.492 0.000 0.839 1347 A HN 0.769 nan 8.150 nan 0.000 0.443 1348 L N -1.324 119.885 121.223 -0.022 0.000 2.103 1348 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 1348 L C 2.233 179.039 176.870 -0.107 0.000 1.080 1348 L CA 2.717 57.337 54.840 -0.366 0.000 0.764 1348 L CB -0.790 40.946 42.059 -0.538 0.000 0.890 1348 L HN 0.589 nan 8.230 nan 0.000 0.435 1349 Y N -0.175 120.080 120.300 -0.075 0.000 2.176 1349 Y HA -0.172 4.377 4.550 -0.000 0.000 0.291 1349 Y C 2.702 178.650 175.900 0.080 0.000 1.122 1349 Y CA 1.957 60.043 58.100 -0.024 0.000 1.128 1349 Y CB -0.270 38.163 38.460 -0.046 0.000 1.005 1349 Y HN 0.148 nan 8.280 nan 0.000 0.509 1350 K N 0.113 120.700 120.400 0.311 0.000 2.107 1350 K HA -0.321 3.999 4.320 -0.000 0.000 0.211 1350 K C 1.969 178.676 176.600 0.178 0.000 1.049 1350 K CA 2.194 58.629 56.287 0.248 0.000 0.927 1350 K CB -0.170 32.420 32.500 0.151 0.000 0.714 1350 K HN 0.300 nan 8.250 nan 0.000 0.452 1351 E N -0.022 120.278 120.200 0.165 0.000 2.015 1351 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 1351 E C 1.879 178.501 176.600 0.036 0.000 0.991 1351 E CA 1.378 57.870 56.400 0.154 0.000 0.802 1351 E CB -0.172 29.662 29.700 0.224 0.000 0.759 1351 E HN 0.128 nan 8.360 nan 0.000 0.447 1352 V N 0.578 120.460 119.914 -0.053 0.000 2.287 1352 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 1352 V C 2.194 178.193 176.094 -0.158 0.000 1.053 1352 V CA 2.142 64.376 62.300 -0.109 0.000 1.027 1352 V CB -0.778 30.948 31.823 -0.161 0.000 0.646 1352 V HN 0.397 nan 8.190 nan 0.000 0.447 1353 Y N 1.548 121.623 120.300 -0.376 0.000 2.256 1353 Y HA -0.210 4.339 4.550 -0.000 0.000 0.288 1353 Y C 2.322 178.154 175.900 -0.114 0.000 1.155 1353 Y CA 1.833 59.735 58.100 -0.330 0.000 1.203 1353 Y CB -0.306 37.855 38.460 -0.499 0.000 0.980 1353 Y HN 0.271 nan 8.280 nan 0.000 0.530 1354 N N -0.498 118.096 118.700 -0.176 0.000 2.463 1354 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 1354 N C 1.678 177.095 175.510 -0.154 0.000 1.078 1354 N CA 0.910 53.857 53.050 -0.172 0.000 0.902 1354 N CB 0.262 38.771 38.487 0.037 0.000 0.970 1354 N HN 0.308 nan 8.380 nan 0.000 0.451 1355 V N 1.041 120.878 119.914 -0.129 0.000 2.649 1355 V HA 0.004 4.124 4.120 -0.000 0.000 0.248 1355 V C 1.989 178.010 176.094 -0.122 0.000 1.054 1355 V CA 0.882 63.129 62.300 -0.087 0.000 1.073 1355 V CB -0.010 31.783 31.823 -0.050 0.000 0.699 1355 V HN 0.194 nan 8.190 nan 0.000 0.463 1356 I N 0.058 120.518 120.570 -0.184 0.000 3.059 1356 I HA -0.007 4.163 4.170 -0.000 0.000 0.270 1356 I C 2.415 178.406 176.117 -0.211 0.000 1.238 1356 I CA 0.901 62.100 61.300 -0.168 0.000 1.478 1356 I CB -0.338 37.568 38.000 -0.156 0.000 1.097 1356 I HN 0.252 nan 8.210 nan 0.000 0.455 1357 A N 1.113 123.726 122.820 -0.345 0.000 1.878 1357 A HA -0.139 4.181 4.320 -0.000 0.000 0.213 1357 A C 2.527 180.016 177.584 -0.158 0.000 1.192 1357 A CA 1.522 53.359 52.037 -0.334 0.000 0.619 1357 A CB -0.714 17.959 19.000 -0.544 0.000 0.837 1357 A HN 0.444 nan 8.150 nan 0.000 0.446 1358 S N 0.541 116.165 115.700 -0.127 0.000 2.359 1358 S HA -0.279 4.191 4.470 -0.000 0.000 0.223 1358 S C 1.596 176.165 174.600 -0.052 0.000 1.039 1358 S CA 1.826 59.986 58.200 -0.068 0.000 1.042 1358 S CB -0.850 62.320 63.200 -0.049 0.000 0.915 1358 S HN 0.441 nan 8.310 nan 0.000 0.439 1359 D N 1.799 122.166 120.400 -0.056 0.000 2.271 1359 D HA 0.031 4.671 4.640 -0.000 0.000 0.207 1359 D C 1.484 177.768 176.300 -0.028 0.000 0.983 1359 D CA 1.424 55.401 54.000 -0.037 0.000 0.878 1359 D CB -0.866 39.911 40.800 -0.039 0.000 0.920 1359 D HN 0.777 nan 8.370 nan 0.000 0.479 1360 G N -1.064 107.714 108.800 -0.037 0.000 2.136 1360 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.242 1360 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.242 1360 G C 0.436 175.340 174.900 0.006 0.000 0.989 1360 G CA 0.560 45.649 45.100 -0.018 0.000 0.682 1360 G HN 0.392 nan 8.290 nan 0.000 0.522 1361 S N -1.038 114.665 115.700 0.006 0.000 2.738 1361 S HA 0.793 5.262 4.470 -0.000 0.000 0.284 1361 S C -0.631 174.044 174.600 0.126 0.000 1.146 1361 S CA -0.426 57.803 58.200 0.049 0.000 0.997 1361 S CB 1.751 64.961 63.200 0.017 0.000 1.081 1361 S HN 0.931 nan 8.310 nan 0.000 0.553 1362 Y N 0.176 120.480 120.300 0.007 0.000 2.492 1362 Y HA 0.640 5.190 4.550 -0.000 0.000 0.346 1362 Y C -1.699 174.250 175.900 0.081 0.000 0.997 1362 Y CA -1.325 56.804 58.100 0.047 0.000 1.025 1362 Y CB 0.969 39.465 38.460 0.059 0.000 1.263 1362 Y HN 0.369 nan 8.280 nan 0.000 0.454 1363 V N 5.830 125.543 119.914 -0.336 0.000 2.623 1363 V HA 0.287 4.407 4.120 -0.000 0.000 0.304 1363 V C -0.339 175.500 176.094 -0.424 0.000 1.054 1363 V CA -1.382 60.708 62.300 -0.351 0.000 0.882 1363 V CB 1.747 33.553 31.823 -0.027 0.000 1.002 1363 V HN 0.879 nan 8.190 nan 0.000 0.424 1364 N N 2.316 120.777 118.700 -0.398 0.000 2.447 1364 N HA -0.028 4.711 4.740 -0.000 0.000 0.263 1364 N C 1.201 176.740 175.510 0.048 0.000 1.226 1364 N CA -0.015 52.961 53.050 -0.123 0.000 0.906 1364 N CB 0.493 38.918 38.487 -0.103 0.000 1.060 1364 N HN 0.831 nan 8.380 nan 0.000 0.468 1365 Y N 5.412 125.792 120.300 0.133 0.000 2.108 1365 Y HA -0.423 4.127 4.550 -0.000 0.000 0.274 1365 Y C 2.191 178.099 175.900 0.013 0.000 1.229 1365 Y CA 2.471 60.676 58.100 0.175 0.000 1.129 1365 Y CB -0.072 38.475 38.460 0.144 0.000 0.946 1365 Y HN 0.696 nan 8.280 nan 0.000 0.509 1366 R N -0.982 119.513 120.500 -0.009 0.000 2.103 1366 R HA -0.239 4.101 4.340 -0.000 0.000 0.242 1366 R C 1.847 177.981 176.300 -0.276 0.000 1.142 1366 R CA 1.879 57.825 56.100 -0.256 0.000 0.960 1366 R CB -1.275 28.764 30.300 -0.435 0.000 0.858 1366 R HN 0.483 nan 8.270 nan 0.000 0.439 1367 H N 1.291 120.349 119.070 -0.020 0.000 2.293 1367 H HA 0.002 4.558 4.556 -0.000 0.000 0.300 1367 H C 2.397 177.691 175.328 -0.058 0.000 1.082 1367 H CA 1.822 57.856 56.048 -0.024 0.000 1.308 1367 H CB -0.368 29.378 29.762 -0.027 0.000 1.375 1367 H HN 0.255 nan 8.280 nan 0.000 0.495 1368 M N 0.492 120.119 119.600 0.045 0.000 2.080 1368 M HA -0.095 4.385 4.480 -0.000 0.000 0.260 1368 M C 2.740 179.025 176.300 -0.025 0.000 1.068 1368 M CA 1.401 56.697 55.300 -0.006 0.000 1.109 1368 M CB -0.743 31.837 32.600 -0.032 0.000 1.342 1368 M HN 0.226 nan 8.290 nan 0.000 0.405 1369 A N 1.077 123.793 122.820 -0.173 0.000 1.851 1369 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 1369 A C 2.211 179.717 177.584 -0.130 0.000 1.195 1369 A CA 1.761 53.625 52.037 -0.288 0.000 0.622 1369 A CB -1.092 17.507 19.000 -0.669 0.000 0.831 1369 A HN 0.435 nan 8.150 nan 0.000 0.444 1370 L N -0.796 120.371 121.223 -0.093 0.000 2.129 1370 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 1370 L C 2.226 179.073 176.870 -0.038 0.000 1.087 1370 L CA 2.099 56.921 54.840 -0.030 0.000 0.757 1370 L CB -0.596 41.487 42.059 0.041 0.000 0.896 1370 L HN 0.447 nan 8.230 nan 0.000 0.434 1371 L N -1.372 119.825 121.223 -0.043 0.000 1.973 1371 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 1371 L C 2.424 179.257 176.870 -0.062 0.000 1.073 1371 L CA 1.986 56.789 54.840 -0.062 0.000 0.746 1371 L CB -1.104 40.917 42.059 -0.063 0.000 0.891 1371 L HN 0.049 nan 8.230 nan 0.000 0.433 1372 V N 0.692 120.576 119.914 -0.050 0.000 2.317 1372 V HA -0.360 3.760 4.120 -0.000 0.000 0.251 1372 V C 2.367 178.435 176.094 -0.043 0.000 1.065 1372 V CA 2.239 64.510 62.300 -0.048 0.000 1.049 1372 V CB -0.898 30.929 31.823 0.006 0.000 0.651 1372 V HN 0.550 nan 8.190 nan 0.000 0.450 1373 D N -0.420 119.956 120.400 -0.040 0.000 2.178 1373 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 1373 D C 2.159 178.444 176.300 -0.025 0.000 0.974 1373 D CA 1.274 55.258 54.000 -0.028 0.000 0.841 1373 D CB 0.017 40.801 40.800 -0.026 0.000 0.953 1373 D HN 0.372 nan 8.370 nan 0.000 0.478 1374 V N 1.231 121.123 119.914 -0.037 0.000 2.358 1374 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 1374 V C 2.482 178.565 176.094 -0.020 0.000 1.047 1374 V CA 1.231 63.509 62.300 -0.037 0.000 1.035 1374 V CB -0.349 31.433 31.823 -0.068 0.000 0.658 1374 V HN 0.164 nan 8.190 nan 0.000 0.452 1375 M N -0.936 118.649 119.600 -0.026 0.000 2.539 1375 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 1375 M C 1.928 178.235 176.300 0.012 0.000 1.069 1375 M CA 1.433 56.732 55.300 -0.002 0.000 1.081 1375 M CB -0.233 32.350 32.600 -0.028 0.000 1.412 1375 M HN 0.326 nan 8.290 nan 0.000 0.482 1376 T N -1.037 113.519 114.554 0.003 0.000 3.038 1376 T HA -0.017 4.333 4.350 -0.000 0.000 0.244 1376 T C 1.765 176.481 174.700 0.027 0.000 1.016 1376 T CA 1.240 63.350 62.100 0.017 0.000 1.098 1376 T CB -0.018 68.855 68.868 0.008 0.000 0.954 1376 T HN 0.525 nan 8.240 nan 0.000 0.469 1377 T N 1.361 115.926 114.554 0.018 0.000 2.597 1377 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 1377 T C 1.866 176.585 174.700 0.032 0.000 1.053 1377 T CA 1.549 63.663 62.100 0.023 0.000 1.165 1377 T CB -0.825 68.046 68.868 0.006 0.000 0.863 1377 T HN 0.319 nan 8.240 nan 0.000 0.427 1378 Q N 1.208 121.028 119.800 0.032 0.000 2.290 1378 Q HA -0.100 4.240 4.340 -0.000 0.000 0.211 1378 Q C 2.025 178.051 176.000 0.043 0.000 0.991 1378 Q CA 1.674 57.500 55.803 0.038 0.000 0.893 1378 Q CB -0.479 28.286 28.738 0.044 0.000 0.913 1378 Q HN 0.933 nan 8.270 nan 0.000 0.428 1379 G N -2.533 106.295 108.800 0.046 0.000 3.345 1379 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.199 1379 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.199 1379 G C 0.249 175.182 174.900 0.055 0.000 1.057 1379 G CA -0.034 45.095 45.100 0.048 0.000 0.865 1379 G HN 0.566 nan 8.290 nan 0.000 0.449 1380 G N -0.413 108.423 108.800 0.061 0.000 3.382 1380 G HA2 0.541 4.501 3.960 -0.000 0.000 0.183 1380 G HA3 0.541 4.501 3.960 -0.000 0.000 0.183 1380 G C -0.531 174.420 174.900 0.086 0.000 1.246 1380 G CA -0.233 44.911 45.100 0.074 0.000 0.828 1380 G HN 0.581 nan 8.290 nan 0.000 0.728 1381 L N 2.309 123.596 121.223 0.106 0.000 2.935 1381 L HA 0.317 4.657 4.340 -0.000 0.000 0.243 1381 L C 0.006 176.951 176.870 0.126 0.000 1.313 1381 L CA -0.331 54.589 54.840 0.132 0.000 0.969 1381 L CB 0.693 42.882 42.059 0.217 0.000 1.320 1381 L HN 0.254 nan 8.230 nan 0.000 0.511 1382 T N 0.663 115.278 114.554 0.102 0.000 2.905 1382 T HA 0.044 4.394 4.350 -0.000 0.000 0.299 1382 T C 0.724 175.504 174.700 0.135 0.000 1.024 1382 T CA 0.153 62.322 62.100 0.115 0.000 1.151 1382 T CB 0.511 69.444 68.868 0.108 0.000 0.987 1382 T HN 0.550 nan 8.240 nan 0.000 0.535 1383 S N 1.626 117.425 115.700 0.165 0.000 2.654 1383 S HA 0.400 4.869 4.470 -0.000 0.000 0.283 1383 S C 0.293 175.051 174.600 0.264 0.000 1.180 1383 S CA -1.107 57.204 58.200 0.185 0.000 1.021 1383 S CB 1.107 64.420 63.200 0.188 0.000 1.018 1383 S HN 0.424 nan 8.310 nan 0.000 0.532 1384 V N 1.998 122.050 119.914 0.229 0.000 1.956 1384 V HA 0.288 4.407 4.120 -0.000 0.000 0.248 1384 V C 0.041 176.395 176.094 0.433 0.000 1.615 1384 V CA -0.007 62.474 62.300 0.303 0.000 1.558 1384 V CB -1.686 30.157 31.823 0.032 0.000 1.529 1384 V HN 0.956 nan 8.190 nan 0.000 0.505 1385 T N 1.372 116.182 114.554 0.427 0.000 2.923 1385 T HA 0.290 4.640 4.350 -0.000 0.000 0.311 1385 T C 0.973 175.602 174.700 -0.119 0.000 1.183 1385 T CA -0.745 61.460 62.100 0.175 0.000 1.020 1385 T CB 2.378 71.350 68.868 0.174 0.000 1.165 1385 T HN 0.474 nan 8.240 nan 0.000 0.482 1386 R N 0.753 121.188 120.500 -0.109 0.000 2.244 1386 R HA -0.226 4.114 4.340 -0.000 0.000 0.252 1386 R C 1.166 177.276 176.300 -0.316 0.000 1.177 1386 R CA 1.914 57.857 56.100 -0.263 0.000 1.004 1386 R CB -0.181 29.878 30.300 -0.403 0.000 0.873 1386 R HN 0.623 nan 8.270 nan 0.000 0.469 1387 H N -1.646 117.392 119.070 -0.053 0.000 2.431 1387 H HA 0.131 4.687 4.556 -0.000 0.000 0.295 1387 H C 1.654 176.963 175.328 -0.031 0.000 1.038 1387 H CA 1.182 57.212 56.048 -0.030 0.000 1.360 1387 H CB -0.054 29.715 29.762 0.011 0.000 1.433 1387 H HN 0.400 nan 8.280 nan 0.000 0.536 1388 G N 0.805 109.658 108.800 0.088 0.000 2.568 1388 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.212 1388 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.212 1388 G C 1.440 176.366 174.900 0.043 0.000 1.821 1388 G CA 0.408 45.563 45.100 0.092 0.000 0.904 1388 G HN 0.309 nan 8.290 nan 0.000 0.566 1389 F N 2.048 122.011 119.950 0.021 0.000 2.045 1389 F HA -0.217 4.309 4.527 -0.000 0.000 0.297 1389 F C 1.756 177.542 175.800 -0.023 0.000 1.114 1389 F CA 1.956 59.942 58.000 -0.024 0.000 1.207 1389 F CB -1.062 37.887 39.000 -0.085 0.000 0.964 1389 F HN 0.220 nan 8.300 nan 0.000 0.486 1390 N N 0.297 118.484 118.700 -0.855 0.000 2.666 1390 N HA -0.090 4.650 4.740 -0.000 0.000 0.194 1390 N C 0.356 175.767 175.510 -0.165 0.000 1.220 1390 N CA 0.333 53.111 53.050 -0.453 0.000 0.928 1390 N CB -0.392 37.764 38.487 -0.552 0.000 0.997 1390 N HN 0.415 nan 8.380 nan 0.000 0.447 1391 R N -0.203 120.235 120.500 -0.105 0.000 2.997 1391 R HA 0.178 4.517 4.340 -0.000 0.000 0.358 1391 R C -0.193 176.106 176.300 -0.002 0.000 1.191 1391 R CA -0.207 55.869 56.100 -0.040 0.000 1.113 1391 R CB 0.237 30.525 30.300 -0.019 0.000 1.433 1391 R HN 0.225 nan 8.270 nan 0.000 0.584 1392 S N -1.356 114.350 115.700 0.010 0.000 2.841 1392 S HA 0.270 4.740 4.470 -0.000 0.000 0.274 1392 S C 0.775 175.384 174.600 0.016 0.000 1.044 1392 S CA -0.799 57.416 58.200 0.025 0.000 0.952 1392 S CB 0.715 63.943 63.200 0.047 0.000 1.331 1392 S HN 0.198 nan 8.310 nan 0.000 0.610 1393 N N 1.483 120.195 118.700 0.021 0.000 2.422 1393 N HA 0.074 4.813 4.740 -0.000 0.000 0.181 1393 N C 0.418 175.937 175.510 0.017 0.000 1.080 1393 N CA 0.718 53.778 53.050 0.016 0.000 0.893 1393 N CB -0.767 37.731 38.487 0.018 0.000 0.973 1393 N HN 0.828 nan 8.380 nan 0.000 0.456 1394 T N -0.480 114.087 114.554 0.022 0.000 2.908 1394 T HA 0.194 4.544 4.350 -0.000 0.000 0.325 1394 T C 1.084 175.795 174.700 0.019 0.000 1.092 1394 T CA -0.372 61.742 62.100 0.023 0.000 1.125 1394 T CB 0.614 69.501 68.868 0.032 0.000 1.016 1394 T HN 0.164 nan 8.240 nan 0.000 0.550 1395 G N 0.254 109.069 108.800 0.025 0.000 2.554 1395 G HA2 0.413 4.373 3.960 -0.000 0.000 0.238 1395 G HA3 0.413 4.373 3.960 -0.000 0.000 0.238 1395 G C 1.177 176.089 174.900 0.019 0.000 1.259 1395 G CA -0.459 44.662 45.100 0.034 0.000 0.843 1395 G HN 1.128 nan 8.290 nan 0.000 0.582 1396 A N 1.801 124.623 122.820 0.004 0.000 1.863 1396 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 1396 A C 2.513 180.067 177.584 -0.050 0.000 1.233 1396 A CA 1.956 53.933 52.037 -0.100 0.000 0.655 1396 A CB -0.826 17.974 19.000 -0.334 0.000 0.839 1396 A HN 0.683 nan 8.150 nan 0.000 0.454 1397 L N -1.435 119.816 121.223 0.046 0.000 2.051 1397 L HA -0.295 4.045 4.340 -0.000 0.000 0.214 1397 L C 2.832 179.720 176.870 0.029 0.000 1.076 1397 L CA 2.036 56.910 54.840 0.057 0.000 0.758 1397 L CB -0.509 41.612 42.059 0.104 0.000 0.890 1397 L HN 0.640 nan 8.230 nan 0.000 0.433 1398 M N -0.316 119.303 119.600 0.031 0.000 2.218 1398 M HA -0.256 4.224 4.480 -0.000 0.000 0.262 1398 M C 2.510 178.834 176.300 0.040 0.000 1.081 1398 M CA 1.786 57.105 55.300 0.031 0.000 1.100 1398 M CB -0.228 32.389 32.600 0.028 0.000 1.258 1398 M HN 0.009 nan 8.290 nan 0.000 0.438 1399 R N -0.163 120.357 120.500 0.032 0.000 2.196 1399 R HA -0.298 4.042 4.340 -0.000 0.000 0.259 1399 R C 2.339 178.661 176.300 0.037 0.000 1.154 1399 R CA 2.105 58.226 56.100 0.035 0.000 0.976 1399 R CB -1.386 28.908 30.300 -0.010 0.000 0.888 1399 R HN 0.805 nan 8.270 nan 0.000 0.453 1400 C N 0.422 119.716 119.300 -0.011 0.000 2.466 1400 C HA 0.083 4.543 4.460 -0.000 0.000 0.283 1400 C C 2.039 177.031 174.990 0.003 0.000 1.472 1400 C CA 0.361 59.356 59.018 -0.038 0.000 1.765 1400 C CB -1.067 26.618 27.740 -0.092 0.000 1.724 1400 C HN 0.432 nan 8.230 nan 0.000 0.560 1401 S N -1.530 114.205 115.700 0.058 0.000 2.679 1401 S HA 0.420 4.890 4.470 -0.000 0.000 0.233 1401 S C -0.360 174.353 174.600 0.188 0.000 0.951 1401 S CA -0.465 57.785 58.200 0.082 0.000 0.973 1401 S CB -0.654 62.586 63.200 0.067 0.000 0.778 1401 S HN 0.742 nan 8.310 nan 0.000 0.477 1402 F N 0.737 120.680 119.950 -0.012 0.000 2.668 1402 F HA 0.440 4.966 4.527 -0.000 0.000 0.309 1402 F C 0.324 176.099 175.800 -0.040 0.000 1.117 1402 F CA -0.752 57.252 58.000 0.008 0.000 0.951 1402 F CB 0.768 39.802 39.000 0.056 0.000 1.323 1402 F HN -0.051 nan 8.300 nan 0.000 0.451 1403 E N 1.452 121.148 120.200 -0.841 0.000 3.663 1403 E HA -0.360 3.990 4.350 -0.000 0.000 0.457 1403 E C 0.447 176.881 176.600 -0.277 0.000 1.577 1403 E CA 2.544 58.589 56.400 -0.592 0.000 1.373 1403 E CB -0.865 28.414 29.700 -0.702 0.000 1.259 1403 E HN 0.835 nan 8.360 nan 0.000 0.343 1404 E N 1.468 121.548 120.200 -0.200 0.000 2.320 1404 E HA 0.150 4.500 4.350 -0.000 0.000 0.234 1404 E C 1.015 177.525 176.600 -0.150 0.000 1.290 1404 E CA 0.488 56.794 56.400 -0.157 0.000 1.545 1404 E CB -0.262 29.359 29.700 -0.132 0.000 1.379 1404 E HN 0.297 nan 8.360 nan 0.000 0.437 1405 T N -0.318 114.149 114.554 -0.145 0.000 2.654 1405 T HA -0.327 4.023 4.350 -0.000 0.000 0.251 1405 T C 1.904 176.469 174.700 -0.225 0.000 1.163 1405 T CA 2.231 64.239 62.100 -0.153 0.000 1.136 1405 T CB -0.446 68.339 68.868 -0.139 0.000 0.839 1405 T HN 0.261 nan 8.240 nan 0.000 0.466 1406 V N 0.765 120.510 119.914 -0.282 0.000 2.535 1406 V HA 0.038 4.158 4.120 -0.000 0.000 0.246 1406 V C 2.297 178.047 176.094 -0.575 0.000 1.045 1406 V CA 1.299 63.307 62.300 -0.488 0.000 1.058 1406 V CB -0.780 30.720 31.823 -0.537 0.000 0.689 1406 V HN 0.300 nan 8.190 nan 0.000 0.461 1407 E N 1.165 121.188 120.200 -0.295 0.000 2.150 1407 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 1407 E C 2.038 178.570 176.600 -0.114 0.000 0.985 1407 E CA 1.129 57.459 56.400 -0.118 0.000 0.814 1407 E CB -0.496 29.182 29.700 -0.037 0.000 0.752 1407 E HN 0.578 nan 8.360 nan 0.000 0.466 1408 I N 0.333 120.801 120.570 -0.170 0.000 2.226 1408 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 1408 I C 2.079 178.058 176.117 -0.230 0.000 1.100 1408 I CA 1.019 62.220 61.300 -0.166 0.000 1.374 1408 I CB -0.306 37.601 38.000 -0.154 0.000 1.057 1408 I HN 0.115 nan 8.210 nan 0.000 0.413 1409 L N -0.312 120.731 121.223 -0.300 0.000 2.201 1409 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 1409 L C 2.491 179.254 176.870 -0.178 0.000 1.105 1409 L CA 1.425 56.050 54.840 -0.358 0.000 0.775 1409 L CB -0.447 41.408 42.059 -0.339 0.000 0.913 1409 L HN 0.213 nan 8.230 nan 0.000 0.440 1410 F N 0.487 120.359 119.950 -0.131 0.000 2.118 1410 F HA -0.155 4.372 4.527 -0.000 0.000 0.293 1410 F C 2.497 178.322 175.800 0.043 0.000 1.102 1410 F CA 0.519 58.501 58.000 -0.030 0.000 1.247 1410 F CB -0.065 38.871 39.000 -0.106 0.000 1.017 1410 F HN 0.046 nan 8.300 nan 0.000 0.475 1411 E N 0.547 120.849 120.200 0.169 0.000 2.273 1411 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 1411 E C 2.052 178.591 176.600 -0.102 0.000 1.002 1411 E CA 0.730 57.136 56.400 0.009 0.000 0.828 1411 E CB -0.195 29.473 29.700 -0.054 0.000 0.747 1411 E HN 0.412 nan 8.360 nan 0.000 0.491 1412 A N 1.023 123.752 122.820 -0.153 0.000 1.843 1412 A HA 0.016 4.335 4.320 -0.000 0.000 0.213 1412 A C 2.459 179.951 177.584 -0.154 0.000 1.202 1412 A CA 1.247 53.117 52.037 -0.278 0.000 0.607 1412 A CB -0.939 17.654 19.000 -0.678 0.000 0.847 1412 A HN 0.336 nan 8.150 nan 0.000 0.445 1413 G N -0.733 108.029 108.800 -0.062 0.000 2.471 1413 G HA2 0.107 4.067 3.960 -0.000 0.000 0.219 1413 G HA3 0.107 4.067 3.960 -0.000 0.000 0.219 1413 G C 1.503 176.382 174.900 -0.035 0.000 1.125 1413 G CA 1.289 46.427 45.100 0.064 0.000 0.775 1413 G HN 0.740 nan 8.290 nan 0.000 0.548 1414 A N 0.925 123.664 122.820 -0.136 0.000 1.930 1414 A HA 0.159 4.479 4.320 -0.000 0.000 0.215 1414 A C 2.349 179.607 177.584 -0.542 0.000 1.176 1414 A CA 1.813 53.596 52.037 -0.424 0.000 0.632 1414 A CB -0.224 18.442 19.000 -0.556 0.000 0.819 1414 A HN 0.650 nan 8.150 nan 0.000 0.445 1415 S N -1.209 114.258 115.700 -0.389 0.000 2.583 1415 S HA 0.516 4.986 4.470 -0.000 0.000 0.239 1415 S C 0.756 175.270 174.600 -0.143 0.000 0.966 1415 S CA 0.553 58.533 58.200 -0.367 0.000 0.973 1415 S CB -0.391 62.614 63.200 -0.326 0.000 0.794 1415 S HN 1.754 nan 8.310 nan 0.000 0.463 1416 A N 1.562 124.341 122.820 -0.070 0.000 2.253 1416 A HA -0.221 4.099 4.320 -0.000 0.000 0.278 1416 A C 0.509 178.142 177.584 0.081 0.000 1.381 1416 A CA 1.082 53.154 52.037 0.058 0.000 0.771 1416 A CB -1.949 17.161 19.000 0.184 0.000 1.092 1416 A HN 0.807 nan 8.150 nan 0.000 0.360 1417 E N -1.272 118.970 120.200 0.070 0.000 2.416 1417 E HA 0.475 4.824 4.350 -0.000 0.000 0.254 1417 E C -0.024 176.667 176.600 0.151 0.000 1.241 1417 E CA -0.335 56.118 56.400 0.089 0.000 0.969 1417 E CB 0.565 30.293 29.700 0.048 0.000 0.999 1417 E HN 0.822 nan 8.360 nan 0.000 0.481 1418 L N 0.851 122.142 121.223 0.113 0.000 2.404 1418 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 1418 L C -1.339 175.578 176.870 0.077 0.000 0.980 1418 L CA -0.516 54.365 54.840 0.068 0.000 0.836 1418 L CB 1.823 43.904 42.059 0.037 0.000 1.238 1418 L HN 0.352 nan 8.230 nan 0.000 0.408 1419 D N 3.094 123.542 120.400 0.080 0.000 2.317 1419 D HA 0.155 4.794 4.640 -0.000 0.000 0.234 1419 D C 0.039 176.348 176.300 0.015 0.000 1.112 1419 D CA -0.130 53.916 54.000 0.076 0.000 0.840 1419 D CB 1.546 42.431 40.800 0.142 0.000 1.078 1419 D HN 0.737 nan 8.370 nan 0.000 0.486 1420 D N 1.481 121.890 120.400 0.016 0.000 2.355 1420 D HA -0.069 4.571 4.640 -0.000 0.000 0.218 1420 D C 0.750 177.049 176.300 -0.001 0.000 1.004 1420 D CA -0.106 53.895 54.000 0.002 0.000 0.880 1420 D CB -0.607 40.198 40.800 0.009 0.000 0.911 1420 D HN 0.390 nan 8.370 nan 0.000 0.528 1421 C N 0.809 120.113 119.300 0.005 0.000 4.614 1421 C HA -0.122 4.338 4.460 -0.000 0.000 0.300 1421 C C 1.377 176.367 174.990 0.001 0.000 1.301 1421 C CA -0.198 58.821 59.018 0.001 0.000 2.073 1421 C CB -2.710 25.023 27.740 -0.012 0.000 1.219 1421 C HN 0.460 nan 8.230 nan 0.000 0.772 1422 R N 0.508 121.012 120.500 0.007 0.000 2.317 1422 R HA 0.212 4.552 4.340 -0.000 0.000 0.208 1422 R C 1.202 177.505 176.300 0.004 0.000 0.914 1422 R CA 0.763 56.869 56.100 0.010 0.000 1.060 1422 R CB 0.279 30.591 30.300 0.020 0.000 1.015 1422 R HN 0.671 nan 8.270 nan 0.000 0.498 1423 G N 0.250 109.051 108.800 0.001 0.000 2.400 1423 G HA2 0.307 4.267 3.960 -0.000 0.000 0.301 1423 G HA3 0.307 4.267 3.960 -0.000 0.000 0.301 1423 G C 1.174 176.063 174.900 -0.017 0.000 1.154 1423 G CA -0.665 44.431 45.100 -0.007 0.000 0.852 1423 G HN -0.143 nan 8.290 nan 0.000 0.511 1424 V N 2.141 122.038 119.914 -0.029 0.000 2.231 1424 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 1424 V C 2.986 179.065 176.094 -0.025 0.000 1.054 1424 V CA 2.567 64.845 62.300 -0.037 0.000 1.015 1424 V CB -1.142 30.652 31.823 -0.048 0.000 0.638 1424 V HN 0.698 nan 8.190 nan 0.000 0.444 1425 S N -0.029 115.661 115.700 -0.017 0.000 2.392 1425 S HA -0.259 4.211 4.470 -0.000 0.000 0.232 1425 S C 1.876 176.475 174.600 -0.000 0.000 1.041 1425 S CA 1.783 59.980 58.200 -0.005 0.000 1.026 1425 S CB -0.481 62.723 63.200 0.006 0.000 0.845 1425 S HN 0.723 nan 8.310 nan 0.000 0.465 1426 E N 1.879 122.079 120.200 0.001 0.000 2.051 1426 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 1426 E C 1.675 178.271 176.600 -0.007 0.000 0.991 1426 E CA 0.878 57.281 56.400 0.005 0.000 0.799 1426 E CB -0.578 29.126 29.700 0.006 0.000 0.748 1426 E HN 0.568 nan 8.360 nan 0.000 0.449 1427 N N 0.776 119.467 118.700 -0.015 0.000 2.300 1427 N HA -0.065 4.674 4.740 -0.000 0.000 0.179 1427 N C 2.125 177.622 175.510 -0.022 0.000 1.016 1427 N CA 0.637 53.674 53.050 -0.022 0.000 0.876 1427 N CB -0.035 38.433 38.487 -0.030 0.000 0.979 1427 N HN -0.004 nan 8.380 nan 0.000 0.432 1428 V N 2.385 122.287 119.914 -0.020 0.000 2.255 1428 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 1428 V C 2.336 178.423 176.094 -0.012 0.000 1.051 1428 V CA 1.300 63.589 62.300 -0.018 0.000 1.018 1428 V CB -0.408 31.405 31.823 -0.016 0.000 0.641 1428 V HN 0.217 nan 8.190 nan 0.000 0.445 1429 I N -0.644 119.921 120.570 -0.007 0.000 2.454 1429 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 1429 I C 2.080 178.192 176.117 -0.009 0.000 1.156 1429 I CA 1.521 62.819 61.300 -0.004 0.000 1.433 1429 I CB -0.161 37.842 38.000 0.005 0.000 1.082 1429 I HN 0.283 nan 8.210 nan 0.000 0.432 1430 L N -0.021 121.194 121.223 -0.014 0.000 2.529 1430 L HA 0.191 4.530 4.340 -0.000 0.000 0.223 1430 L C 1.348 178.206 176.870 -0.020 0.000 1.113 1430 L CA 0.450 55.278 54.840 -0.020 0.000 0.861 1430 L CB -0.117 41.926 42.059 -0.026 0.000 1.012 1430 L HN 0.439 nan 8.230 nan 0.000 0.461 1431 G N 0.877 109.666 108.800 -0.019 0.000 2.212 1431 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.255 1431 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.255 1431 G C -0.096 174.791 174.900 -0.023 0.000 1.062 1431 G CA -0.031 45.058 45.100 -0.019 0.000 0.815 1431 G HN 0.433 nan 8.290 nan 0.000 0.497 1432 Q N -1.143 118.641 119.800 -0.026 0.000 2.416 1432 Q HA 0.652 4.992 4.340 -0.000 0.000 0.279 1432 Q C 0.416 176.394 176.000 -0.037 0.000 1.101 1432 Q CA -1.150 54.635 55.803 -0.030 0.000 0.830 1432 Q CB 1.536 30.256 28.738 -0.030 0.000 1.402 1432 Q HN 0.354 nan 8.270 nan 0.000 0.445 1433 M N 1.867 121.441 119.600 -0.043 0.000 2.251 1433 M HA 0.274 4.754 4.480 -0.000 0.000 0.346 1433 M C -0.573 175.688 176.300 -0.065 0.000 1.499 1433 M CA -0.086 55.179 55.300 -0.058 0.000 1.128 1433 M CB 0.248 32.807 32.600 -0.068 0.000 1.809 1433 M HN 0.796 nan 8.290 nan 0.000 0.464 1434 A N 6.943 129.723 122.820 -0.067 0.000 2.366 1434 A HA 0.415 4.735 4.320 -0.000 0.000 0.249 1434 A C -2.291 175.239 177.584 -0.091 0.000 1.084 1434 A CA -1.216 50.780 52.037 -0.068 0.000 0.794 1434 A CB -0.462 18.500 19.000 -0.064 0.000 1.034 1434 A HN 0.686 nan 8.150 nan 0.000 0.491 1435 P HA 0.243 nan 4.420 nan 0.000 0.232 1435 P C -1.016 176.205 177.300 -0.131 0.000 1.738 1435 P CA 0.417 63.457 63.100 -0.099 0.000 0.948 1435 P CB -0.385 31.284 31.700 -0.053 0.000 1.943 1436 I N -0.235 120.247 120.570 -0.147 0.000 2.569 1436 I HA 0.429 4.599 4.170 -0.000 0.000 0.296 1436 I C 1.521 177.541 176.117 -0.162 0.000 1.028 1436 I CA -0.201 61.008 61.300 -0.152 0.000 1.082 1436 I CB 0.964 38.892 38.000 -0.121 0.000 1.264 1436 I HN 0.291 nan 8.210 nan 0.000 0.429 1437 G N 4.132 112.843 108.800 -0.149 0.000 2.679 1437 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.373 1437 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.373 1437 G C 1.046 175.874 174.900 -0.119 0.000 1.114 1437 G CA 1.472 46.512 45.100 -0.099 0.000 0.898 1437 G HN 0.628 nan 8.290 nan 0.000 0.648 1438 T N 1.090 115.580 114.554 -0.107 0.000 3.003 1438 T HA 0.094 4.443 4.350 -0.000 0.000 0.270 1438 T C 1.830 176.217 174.700 -0.522 0.000 1.153 1438 T CA 1.992 63.978 62.100 -0.189 0.000 1.089 1438 T CB -0.352 68.460 68.868 -0.092 0.000 0.838 1438 T HN 1.327 nan 8.240 nan 0.000 0.562 1439 G N -0.374 108.152 108.800 -0.457 0.000 3.274 1439 G HA2 0.455 4.415 3.960 -0.000 0.000 0.250 1439 G HA3 0.455 4.415 3.960 -0.000 0.000 0.250 1439 G C 1.160 175.811 174.900 -0.415 0.000 1.024 1439 G CA 0.240 45.065 45.100 -0.457 0.000 0.840 1439 G HN 0.483 nan 8.290 nan 0.000 0.522 1440 A N 0.361 122.947 122.820 -0.390 0.000 2.264 1440 A HA 0.521 4.841 4.320 -0.000 0.000 0.207 1440 A C 0.461 178.099 177.584 0.090 0.000 1.196 1440 A CA 0.385 52.332 52.037 -0.149 0.000 0.778 1440 A CB -0.758 18.150 19.000 -0.154 0.000 0.779 1440 A HN 0.765 nan 8.150 nan 0.000 0.483 1441 F N -4.250 115.772 119.950 0.119 0.000 2.745 1441 F HA 0.769 5.296 4.527 -0.000 0.000 0.316 1441 F C -1.232 174.621 175.800 0.090 0.000 1.155 1441 F CA -2.029 56.072 58.000 0.169 0.000 0.937 1441 F CB 0.447 39.606 39.000 0.265 0.000 1.361 1441 F HN -0.191 nan 8.300 nan 0.000 0.472 1442 D N 0.117 120.749 120.400 0.387 0.000 2.414 1442 D HA 0.695 5.335 4.640 -0.000 0.000 0.241 1442 D C -1.316 175.167 176.300 0.305 0.000 1.008 1442 D CA -0.353 53.786 54.000 0.231 0.000 1.001 1442 D CB 2.709 43.585 40.800 0.128 0.000 1.277 1442 D HN 0.466 nan 8.370 nan 0.000 0.538 1443 V N 2.114 122.143 119.914 0.190 0.000 2.444 1443 V HA 0.391 4.510 4.120 -0.000 0.000 0.294 1443 V C -0.345 175.803 176.094 0.089 0.000 1.022 1443 V CA -0.594 61.801 62.300 0.158 0.000 0.850 1443 V CB 1.437 33.361 31.823 0.169 0.000 0.992 1443 V HN 0.452 nan 8.190 nan 0.000 0.426 1444 M N 5.309 124.948 119.600 0.065 0.000 2.436 1444 M HA 0.642 5.121 4.480 -0.000 0.000 0.331 1444 M C -0.730 175.587 176.300 0.028 0.000 1.135 1444 M CA -0.467 54.857 55.300 0.040 0.000 0.987 1444 M CB 1.670 34.287 32.600 0.028 0.000 1.687 1444 M HN 0.485 nan 8.290 nan 0.000 0.445 1445 I N 1.909 122.491 120.570 0.021 0.000 2.312 1445 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 1445 I C -0.148 175.965 176.117 -0.006 0.000 1.031 1445 I CA -0.404 60.903 61.300 0.011 0.000 1.293 1445 I CB 0.216 38.222 38.000 0.010 0.000 1.403 1445 I HN 0.440 nan 8.210 nan 0.000 0.484 1446 D N 5.638 126.025 120.400 -0.021 0.000 2.365 1446 D HA 0.008 4.648 4.640 -0.000 0.000 0.237 1446 D C 1.134 177.395 176.300 -0.065 0.000 1.190 1446 D CA 0.022 53.997 54.000 -0.041 0.000 0.867 1446 D CB 0.881 41.650 40.800 -0.052 0.000 1.050 1446 D HN 0.554 nan 8.370 nan 0.000 0.491 1447 E N 3.535 123.705 120.200 -0.050 0.000 2.160 1447 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 1447 E C 0.919 177.470 176.600 -0.082 0.000 0.991 1447 E CA 1.075 57.441 56.400 -0.056 0.000 0.810 1447 E CB 0.343 30.022 29.700 -0.035 0.000 0.742 1447 E HN 0.673 nan 8.360 nan 0.000 0.466 1448 E N 0.147 120.297 120.200 -0.084 0.000 2.001 1448 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 1448 E C 2.053 178.551 176.600 -0.170 0.000 1.002 1448 E CA 1.761 58.103 56.400 -0.097 0.000 0.819 1448 E CB -0.082 29.573 29.700 -0.076 0.000 0.769 1448 E HN 0.281 nan 8.360 nan 0.000 0.454 1449 S N 0.988 116.556 115.700 -0.221 0.000 2.462 1449 S HA -0.180 4.290 4.470 -0.000 0.000 0.243 1449 S C 1.713 175.914 174.600 -0.664 0.000 1.003 1449 S CA 0.646 58.580 58.200 -0.443 0.000 0.970 1449 S CB -0.184 62.796 63.200 -0.366 0.000 0.762 1449 S HN 0.154 nan 8.310 nan 0.000 0.510 1450 L N 1.069 122.085 121.223 -0.345 0.000 2.650 1450 L HA 0.296 4.636 4.340 -0.000 0.000 0.235 1450 L C 1.275 178.042 176.870 -0.171 0.000 1.149 1450 L CA 0.518 55.212 54.840 -0.243 0.000 0.887 1450 L CB -0.049 41.947 42.059 -0.106 0.000 1.021 1450 L HN 0.225 nan 8.230 nan 0.000 0.441 1451 V N -2.840 116.956 119.914 -0.196 0.000 3.431 1451 V HA 0.090 4.210 4.120 -0.000 0.000 0.255 1451 V C 2.171 178.228 176.094 -0.062 0.000 1.403 1451 V CA -0.138 62.110 62.300 -0.086 0.000 1.101 1451 V CB 0.019 31.806 31.823 -0.059 0.000 0.891 1451 V HN 0.095 nan 8.190 nan 0.000 0.446 1452 K N 0.907 121.219 120.400 -0.146 0.000 2.160 1452 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 1452 K C 0.336 177.061 176.600 0.208 0.000 1.047 1452 K CA 1.346 57.621 56.287 -0.020 0.000 0.930 1452 K CB -0.295 32.151 32.500 -0.089 0.000 0.720 1452 K HN 0.566 nan 8.250 nan 0.000 0.450 1453 Y N 1.509 121.813 120.300 0.005 0.000 2.535 1453 Y HA 0.253 4.803 4.550 -0.000 0.000 0.349 1453 Y C 0.401 176.306 175.900 0.008 0.000 0.992 1453 Y CA -1.043 57.062 58.100 0.007 0.000 1.248 1453 Y CB 0.045 38.511 38.460 0.008 0.000 1.124 1453 Y HN -0.011 nan 8.280 nan 0.000 0.520 1454 M N 3.030 122.725 119.600 0.157 0.000 2.439 1454 M HA 0.272 4.751 4.480 -0.000 0.000 0.209 1454 M C -3.263 173.073 176.300 0.060 0.000 0.906 1454 M CA -1.197 54.156 55.300 0.089 0.000 0.767 1454 M CB 0.254 32.894 32.600 0.067 0.000 2.350 1454 M HN 0.297 nan 8.290 nan 0.000 0.455 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.118 63.100 0.030 0.000 0.800 1455 P CB 0.000 31.714 31.700 0.023 0.000 0.726